USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=18 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 18 LYS NZ :NH3+ 175:sc= -1.54 (180deg=-1.48) USER MOD Set 1.2: A 51 HIS : no HE2:sc= -7.02! C(o=-8.6!,f=-10!) USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00823) USER MOD Single : A 10 THR OG1 : rot 131:sc= -1.68! USER MOD Single : A 15 ASN :FLIP amide:sc= -0.0145 F(o=-1.1,f=-0.015) USER MOD Single : A 16 GLN : amide:sc= -6! C(o=-6!,f=-7.7!) USER MOD Single : A 19 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.25) USER MOD Single : A 23 SER OG : rot 180:sc= -0.014 USER MOD Single : A 28 ASN : amide:sc= -1.89! C(o=-1.9!,f=-11!) USER MOD Single : A 30 GLN : amide:sc= -0.797 K(o=-0.8,f=-2!) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= -0.0636 (180deg=-0.479) USER MOD Single : A 45 ASN : amide:sc= -3.13! C(o=-3.1!,f=-7.5!) USER MOD Single : A 46 GLN :FLIP amide:sc= -1.89 F(o=-3.2!,f=-1.9) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -1.57 K(o=-1.6,f=-12!) USER MOD Single : A 60 MET CE :methyl -179:sc= -0.628 (180deg=-0.629) USER MOD Single : A 61 CYS SG : rot -79:sc= -0.831! USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.069) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -100:sc= -2.84! USER MOD Single : A 67 LYS NZ :NH3+ -161:sc= -0.347 (180deg=-0.372) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.434 F(o=-1.2,f=-0.43) USER MOD Single : A 73 LYS NZ :NH3+ -140:sc= 1.08 (180deg=-0.464) USER MOD Single : A 75 ASN :FLIP amide:sc= -2.94! C(o=-6!,f=-2.9!) USER MOD Single : A 77 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 79 ASN : amide:sc= -7.42! C(o=-7.4!,f=-11!) USER MOD Single : A 80 LYS NZ :NH3+ -162:sc=-0.00621 (180deg=-0.447) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.635 50.137 1.620 1.00 0.00 N ATOM 93 CA LYS A 8 3.902 48.871 2.292 1.00 0.00 C ATOM 94 C LYS A 8 5.390 48.729 2.594 1.00 0.00 C ATOM 95 O LYS A 8 6.178 49.640 2.337 1.00 0.00 O ATOM 96 CB LYS A 8 3.459 47.710 1.401 1.00 0.00 C ATOM 97 CG LYS A 8 2.003 47.914 0.981 1.00 0.00 C ATOM 98 CD LYS A 8 1.477 46.641 0.312 1.00 0.00 C ATOM 99 CE LYS A 8 0.166 46.952 -0.414 1.00 0.00 C ATOM 100 NZ LYS A 8 0.470 47.550 -1.743 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.345 48.853 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.098 47.650 0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.565 46.766 1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.394 48.158 1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.927 48.756 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.214 46.257 -0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.316 45.864 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.420 46.041 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.437 47.641 0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.303 48.187 -2.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.359 48.087 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.567 46.794 -2.450 1.00 0.00 H new ATOM 114 N PHE A 9 5.772 47.571 3.120 1.00 0.00 N ATOM 115 CA PHE A 9 7.170 47.307 3.428 1.00 0.00 C ATOM 116 C PHE A 9 7.908 46.981 2.129 1.00 0.00 C ATOM 117 O PHE A 9 7.317 46.428 1.201 1.00 0.00 O ATOM 118 CB PHE A 9 7.262 46.148 4.426 1.00 0.00 C ATOM 119 CG PHE A 9 6.861 46.652 5.796 1.00 0.00 C ATOM 120 CD1 PHE A 9 5.506 46.748 6.134 1.00 0.00 C ATOM 121 CD2 PHE A 9 7.841 47.037 6.723 1.00 0.00 C ATOM 122 CE1 PHE A 9 5.128 47.231 7.393 1.00 0.00 C ATOM 123 CE2 PHE A 9 7.464 47.517 7.985 1.00 0.00 C ATOM 124 CZ PHE A 9 6.107 47.615 8.319 1.00 0.00 C ATOM 0 H PHE A 9 5.136 46.805 3.341 1.00 0.00 H new ATOM 0 HA PHE A 9 7.634 48.182 3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.609 45.332 4.118 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.277 45.752 4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 9 4.751 46.449 5.422 1.00 0.00 H new ATOM 0 HD2 PHE A 9 8.887 46.964 6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.082 47.308 7.650 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.219 47.811 8.699 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.815 47.987 9.290 1.00 0.00 H new ATOM 134 N THR A 10 9.184 47.346 2.048 1.00 0.00 N ATOM 135 CA THR A 10 9.953 47.102 0.825 1.00 0.00 C ATOM 136 C THR A 10 10.461 45.668 0.771 1.00 0.00 C ATOM 137 O THR A 10 10.575 45.008 1.798 1.00 0.00 O ATOM 138 CB THR A 10 11.147 48.057 0.763 1.00 0.00 C ATOM 139 OG1 THR A 10 11.937 47.877 1.922 1.00 0.00 O ATOM 140 CG2 THR A 10 10.667 49.507 0.696 1.00 0.00 C ATOM 0 H THR A 10 9.703 47.804 2.798 1.00 0.00 H new ATOM 0 HA THR A 10 9.293 47.272 -0.025 1.00 0.00 H new ATOM 0 HB THR A 10 11.733 47.841 -0.130 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.877 47.772 1.664 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.528 50.174 0.652 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.054 49.647 -0.195 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.076 49.736 1.583 1.00 0.00 H new ATOM 148 N ASP A 11 10.756 45.186 -0.437 1.00 0.00 N ATOM 149 CA ASP A 11 11.241 43.818 -0.602 1.00 0.00 C ATOM 150 C ASP A 11 12.414 43.561 0.330 1.00 0.00 C ATOM 151 O ASP A 11 12.504 42.505 0.953 1.00 0.00 O ATOM 152 CB ASP A 11 11.698 43.595 -2.046 1.00 0.00 C ATOM 153 CG ASP A 11 10.518 43.713 -3.004 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.401 43.823 -2.527 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.751 43.691 -4.201 1.00 0.00 O1- ATOM 0 H ASP A 11 10.669 45.716 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 11 10.428 43.133 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.462 44.327 -2.309 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.154 42.610 -2.141 1.00 0.00 H new ATOM 160 N ASP A 12 13.312 44.535 0.426 1.00 0.00 N ATOM 161 CA ASP A 12 14.471 44.392 1.291 1.00 0.00 C ATOM 162 C ASP A 12 14.034 44.364 2.757 1.00 0.00 C ATOM 163 O ASP A 12 14.430 43.483 3.519 1.00 0.00 O ATOM 164 CB ASP A 12 15.450 45.542 1.039 1.00 0.00 C ATOM 165 CG ASP A 12 15.900 45.522 -0.420 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.046 44.438 -0.961 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.092 46.591 -0.976 1.00 0.00 O ATOM 0 H ASP A 12 13.259 45.420 -0.078 1.00 0.00 H new ATOM 0 HA ASP A 12 14.973 43.451 1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.974 46.495 1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.313 45.449 1.698 1.00 0.00 H new ATOM 172 N GLU A 13 13.187 45.310 3.143 1.00 0.00 N ATOM 173 CA GLU A 13 12.692 45.349 4.512 1.00 0.00 C ATOM 174 C GLU A 13 11.850 44.113 4.787 1.00 0.00 C ATOM 175 O GLU A 13 11.880 43.548 5.880 1.00 0.00 O ATOM 176 CB GLU A 13 11.835 46.596 4.724 1.00 0.00 C ATOM 177 CG GLU A 13 12.704 47.853 4.644 1.00 0.00 C ATOM 178 CD GLU A 13 11.845 49.091 4.894 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.639 48.940 5.001 1.00 0.00 O ATOM 180 OE2 GLU A 13 12.406 50.172 4.974 1.00 0.00 O1- ATOM 0 H GLU A 13 12.833 46.050 2.537 1.00 0.00 H new ATOM 0 HA GLU A 13 13.543 45.375 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.050 46.639 3.969 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.342 46.547 5.695 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.505 47.800 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.176 47.918 3.664 1.00 0.00 H new ATOM 187 N TRP A 14 11.096 43.702 3.778 1.00 0.00 N ATOM 188 CA TRP A 14 10.242 42.540 3.899 1.00 0.00 C ATOM 189 C TRP A 14 11.088 41.307 4.166 1.00 0.00 C ATOM 190 O TRP A 14 10.778 40.516 5.055 1.00 0.00 O ATOM 191 CB TRP A 14 9.447 42.371 2.610 1.00 0.00 C ATOM 192 CG TRP A 14 8.172 41.642 2.879 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.773 40.539 2.215 1.00 0.00 C ATOM 194 CD2 TRP A 14 7.120 41.941 3.851 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.542 40.138 2.708 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.099 40.969 3.715 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.945 42.947 4.825 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.953 40.993 4.508 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.789 42.971 5.626 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.796 41.996 5.466 1.00 0.00 C ATOM 0 H TRP A 14 11.061 44.160 2.867 1.00 0.00 H new ATOM 0 HA TRP A 14 9.551 42.672 4.732 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.231 43.348 2.177 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.040 41.822 1.878 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.324 40.048 1.427 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.026 39.327 2.367 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.704 43.704 4.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.190 40.239 4.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.666 43.746 6.369 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.910 42.020 6.083 1.00 0.00 H new ATOM 211 N ASN A 15 12.167 41.151 3.405 1.00 0.00 N ATOM 212 CA ASN A 15 13.048 40.010 3.600 1.00 0.00 C ATOM 213 C ASN A 15 13.522 39.966 5.051 1.00 0.00 C ATOM 214 O ASN A 15 13.610 38.897 5.649 1.00 0.00 O ATOM 215 CB ASN A 15 14.261 40.106 2.668 1.00 0.00 C ATOM 216 CG ASN A 15 13.881 39.778 1.222 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.645 39.498 0.913 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.746 39.773 0.346 1.00 0.00 N flip ATOM 0 H ASN A 15 12.447 41.789 2.661 1.00 0.00 H new ATOM 0 HA ASN A 15 12.496 39.099 3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.681 41.111 2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.037 39.420 3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.714 39.991 0.583 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.495 39.550 -0.617 1.00 0.00 H new ATOM 225 N GLN A 16 13.804 41.140 5.616 1.00 0.00 N ATOM 226 CA GLN A 16 14.248 41.214 7.012 1.00 0.00 C ATOM 227 C GLN A 16 13.133 40.734 7.939 1.00 0.00 C ATOM 228 O GLN A 16 13.373 39.980 8.882 1.00 0.00 O ATOM 229 CB GLN A 16 14.647 42.651 7.368 1.00 0.00 C ATOM 230 CG GLN A 16 16.036 42.971 6.799 1.00 0.00 C ATOM 231 CD GLN A 16 16.345 42.094 5.584 1.00 0.00 C ATOM 232 OE1 GLN A 16 16.687 40.921 5.728 1.00 0.00 O ATOM 233 NE2 GLN A 16 16.254 42.601 4.388 1.00 0.00 N ATOM 0 H GLN A 16 13.735 42.040 5.140 1.00 0.00 H new ATOM 0 HA GLN A 16 15.118 40.569 7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.912 43.350 6.968 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.651 42.778 8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.083 44.022 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.793 42.814 7.567 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.971 43.573 4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.466 42.026 3.573 1.00 0.00 H new ATOM 242 N LEU A 17 11.916 41.176 7.654 1.00 0.00 N ATOM 243 CA LEU A 17 10.755 40.793 8.453 1.00 0.00 C ATOM 244 C LEU A 17 10.549 39.274 8.411 1.00 0.00 C ATOM 245 O LEU A 17 10.219 38.658 9.425 1.00 0.00 O ATOM 246 CB LEU A 17 9.522 41.525 7.909 1.00 0.00 C ATOM 247 CG LEU A 17 8.257 41.110 8.667 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.247 41.743 10.061 1.00 0.00 C ATOM 249 CD2 LEU A 17 7.033 41.598 7.887 1.00 0.00 C ATOM 0 H LEU A 17 11.705 41.800 6.876 1.00 0.00 H new ATOM 0 HA LEU A 17 10.916 41.074 9.494 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.666 42.602 7.997 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.403 41.305 6.848 1.00 0.00 H new ATOM 0 HG LEU A 17 8.236 40.025 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.344 41.441 10.591 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.123 41.410 10.618 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.268 42.829 9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.125 41.309 8.416 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.069 42.684 7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.032 41.150 6.894 1.00 0.00 H new ATOM 261 N LYS A 18 10.754 38.675 7.236 1.00 0.00 N ATOM 262 CA LYS A 18 10.595 37.228 7.089 1.00 0.00 C ATOM 263 C LYS A 18 11.540 36.488 8.017 1.00 0.00 C ATOM 264 O LYS A 18 11.157 35.518 8.666 1.00 0.00 O ATOM 265 CB LYS A 18 10.917 36.795 5.662 1.00 0.00 C ATOM 266 CG LYS A 18 9.930 37.428 4.694 1.00 0.00 C ATOM 267 CD LYS A 18 10.217 36.914 3.287 1.00 0.00 C ATOM 268 CE LYS A 18 9.367 37.686 2.282 1.00 0.00 C ATOM 269 NZ LYS A 18 8.568 36.722 1.476 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.027 39.163 6.383 1.00 0.00 H new ATOM 0 HA LYS A 18 9.560 36.989 7.334 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.934 37.091 5.404 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.871 35.709 5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.908 37.182 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.017 38.514 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.275 37.034 3.053 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.995 35.849 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.706 38.379 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.005 38.283 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.924 37.244 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.207 36.133 0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.013 36.114 2.112 1.00 0.00 H new ATOM 283 N GLN A 19 12.783 36.944 8.061 1.00 0.00 N ATOM 284 CA GLN A 19 13.779 36.303 8.897 1.00 0.00 C ATOM 285 C GLN A 19 13.373 36.376 10.361 1.00 0.00 C ATOM 286 O GLN A 19 13.486 35.391 11.089 1.00 0.00 O ATOM 287 CB GLN A 19 15.132 36.979 8.687 1.00 0.00 C ATOM 288 CG GLN A 19 15.526 36.851 7.214 1.00 0.00 C ATOM 289 CD GLN A 19 15.564 35.385 6.800 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.357 34.608 7.334 1.00 0.00 O ATOM 291 NE2 GLN A 19 14.748 34.955 5.875 1.00 0.00 N ATOM 0 H GLN A 19 13.121 37.748 7.532 1.00 0.00 H new ATOM 0 HA GLN A 19 13.855 35.252 8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.077 38.029 8.973 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.888 36.515 9.321 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.814 37.393 6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.503 37.307 7.051 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.092 35.600 5.434 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.767 33.975 5.594 1.00 0.00 H new ATOM 300 N ASP A 20 12.887 37.537 10.791 1.00 0.00 N ATOM 301 CA ASP A 20 12.462 37.693 12.173 1.00 0.00 C ATOM 302 C ASP A 20 11.319 36.730 12.483 1.00 0.00 C ATOM 303 O ASP A 20 11.332 36.051 13.507 1.00 0.00 O ATOM 304 CB ASP A 20 12.006 39.131 12.419 1.00 0.00 C ATOM 305 CG ASP A 20 13.187 40.087 12.290 1.00 0.00 C ATOM 306 OD1 ASP A 20 14.311 39.614 12.305 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.949 41.278 12.179 1.00 0.00 O ATOM 0 H ASP A 20 12.780 38.369 10.211 1.00 0.00 H new ATOM 0 HA ASP A 20 13.304 37.467 12.827 1.00 0.00 H new ATOM 0 HB2 ASP A 20 11.230 39.402 11.703 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.567 39.216 13.413 1.00 0.00 H new ATOM 312 N PHE A 21 10.338 36.660 11.584 1.00 0.00 N ATOM 313 CA PHE A 21 9.212 35.754 11.784 1.00 0.00 C ATOM 314 C PHE A 21 9.710 34.317 11.807 1.00 0.00 C ATOM 315 O PHE A 21 9.334 33.526 12.671 1.00 0.00 O ATOM 316 CB PHE A 21 8.182 35.926 10.669 1.00 0.00 C ATOM 317 CG PHE A 21 7.307 37.128 10.951 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.778 38.178 11.748 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.018 37.191 10.408 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.963 39.287 12.001 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.203 38.302 10.660 1.00 0.00 C ATOM 322 CZ PHE A 21 5.677 39.350 11.455 1.00 0.00 C ATOM 0 H PHE A 21 10.300 37.210 10.726 1.00 0.00 H new ATOM 0 HA PHE A 21 8.737 35.990 12.736 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.688 36.051 9.712 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.567 35.029 10.590 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.772 38.132 12.168 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.652 36.382 9.794 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.327 40.095 12.618 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.209 38.349 10.240 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.050 40.208 11.647 1.00 0.00 H new ATOM 332 N ILE A 22 10.581 33.989 10.860 1.00 0.00 N ATOM 333 CA ILE A 22 11.143 32.652 10.796 1.00 0.00 C ATOM 334 C ILE A 22 11.841 32.323 12.107 1.00 0.00 C ATOM 335 O ILE A 22 11.617 31.269 12.698 1.00 0.00 O ATOM 336 CB ILE A 22 12.142 32.553 9.650 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.385 32.597 8.321 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.898 31.237 9.782 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.363 32.820 7.164 1.00 0.00 C ATOM 0 H ILE A 22 10.909 34.626 10.134 1.00 0.00 H new ATOM 0 HA ILE A 22 10.335 31.941 10.625 1.00 0.00 H new ATOM 0 HB ILE A 22 12.847 33.383 9.682 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.841 31.664 8.173 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.645 33.397 8.341 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.619 31.148 8.969 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.423 31.213 10.737 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.194 30.406 9.735 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.813 32.850 6.223 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.887 33.765 7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.086 32.005 7.136 1.00 0.00 H new ATOM 351 N SER A 23 12.696 33.236 12.553 1.00 0.00 N ATOM 352 CA SER A 23 13.427 33.041 13.796 1.00 0.00 C ATOM 353 C SER A 23 12.459 32.753 14.940 1.00 0.00 C ATOM 354 O SER A 23 12.707 31.890 15.776 1.00 0.00 O ATOM 355 CB SER A 23 14.223 34.303 14.120 1.00 0.00 C ATOM 356 OG SER A 23 15.192 34.011 15.116 1.00 0.00 O ATOM 0 H SER A 23 12.898 34.114 12.074 1.00 0.00 H new ATOM 0 HA SER A 23 14.102 32.194 13.678 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.712 34.678 13.221 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.553 35.089 14.469 1.00 0.00 H new ATOM 0 HG SER A 23 15.703 34.821 15.322 1.00 0.00 H new ATOM 362 N GLY A 24 11.340 33.471 14.951 1.00 0.00 N ATOM 363 CA GLY A 24 10.330 33.274 15.984 1.00 0.00 C ATOM 364 C GLY A 24 9.790 31.852 15.937 1.00 0.00 C ATOM 365 O GLY A 24 9.458 31.268 16.968 1.00 0.00 O ATOM 0 H GLY A 24 11.111 34.188 14.263 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.761 33.473 16.965 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.515 33.984 15.844 1.00 0.00 H new ATOM 369 N ILE A 25 9.722 31.292 14.734 1.00 0.00 N ATOM 370 CA ILE A 25 9.235 29.927 14.569 1.00 0.00 C ATOM 371 C ILE A 25 10.245 28.946 15.142 1.00 0.00 C ATOM 372 O ILE A 25 9.877 27.903 15.677 1.00 0.00 O ATOM 373 CB ILE A 25 9.033 29.604 13.084 1.00 0.00 C ATOM 374 CG1 ILE A 25 7.984 30.536 12.467 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.576 28.151 12.940 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.654 30.398 13.213 1.00 0.00 C ATOM 0 H ILE A 25 9.995 31.756 13.867 1.00 0.00 H new ATOM 0 HA ILE A 25 8.284 29.839 15.094 1.00 0.00 H new ATOM 0 HB ILE A 25 9.978 29.749 12.560 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.331 31.568 12.514 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.846 30.294 11.413 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.431 27.918 11.885 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.334 27.488 13.357 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.637 28.010 13.475 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.916 31.064 12.767 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.303 29.368 13.143 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.795 30.663 14.261 1.00 0.00 H new ATOM 388 N LEU A 26 11.522 29.284 15.012 1.00 0.00 N ATOM 389 CA LEU A 26 12.584 28.417 15.507 1.00 0.00 C ATOM 390 C LEU A 26 12.937 28.738 16.964 1.00 0.00 C ATOM 391 O LEU A 26 13.346 27.853 17.715 1.00 0.00 O ATOM 392 CB LEU A 26 13.811 28.535 14.589 1.00 0.00 C ATOM 393 CG LEU A 26 14.905 29.392 15.236 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.630 28.572 16.307 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.918 29.822 14.165 1.00 0.00 C ATOM 0 H LEU A 26 11.846 30.145 14.572 1.00 0.00 H new ATOM 0 HA LEU A 26 12.233 27.385 15.491 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.204 27.542 14.372 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.515 28.975 13.637 1.00 0.00 H new ATOM 0 HG LEU A 26 14.451 30.273 15.690 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.408 29.181 16.767 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.917 28.258 17.069 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.082 27.693 15.848 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.696 30.431 14.624 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.368 28.938 13.714 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.409 30.403 13.395 1.00 0.00 H new ATOM 407 N GLU A 27 12.742 29.990 17.372 1.00 0.00 N ATOM 408 CA GLU A 27 13.016 30.378 18.757 1.00 0.00 C ATOM 409 C GLU A 27 11.900 29.893 19.687 1.00 0.00 C ATOM 410 O GLU A 27 12.155 29.496 20.823 1.00 0.00 O ATOM 411 CB GLU A 27 13.150 31.899 18.877 1.00 0.00 C ATOM 412 CG GLU A 27 14.430 32.364 18.178 1.00 0.00 C ATOM 413 CD GLU A 27 14.552 33.882 18.266 1.00 0.00 C ATOM 414 OE1 GLU A 27 13.632 34.502 18.775 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 15.563 34.403 17.824 1.00 0.00 O ATOM 0 H GLU A 27 12.401 30.744 16.776 1.00 0.00 H new ATOM 0 HA GLU A 27 13.956 29.911 19.052 1.00 0.00 H new ATOM 0 HB2 GLU A 27 12.283 32.386 18.430 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.172 32.189 19.927 1.00 0.00 H new ATOM 0 HG2 GLU A 27 15.298 31.894 18.641 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.417 32.052 17.134 1.00 0.00 H new ATOM 422 N ASN A 28 10.660 29.943 19.195 1.00 0.00 N ATOM 423 CA ASN A 28 9.502 29.525 19.990 1.00 0.00 C ATOM 424 C ASN A 28 9.209 28.030 19.811 1.00 0.00 C ATOM 425 O ASN A 28 9.610 27.422 18.819 1.00 0.00 O ATOM 426 CB ASN A 28 8.277 30.351 19.587 1.00 0.00 C ATOM 427 CG ASN A 28 7.195 30.233 20.656 1.00 0.00 C ATOM 428 OD1 ASN A 28 7.300 29.399 21.556 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.159 31.026 20.618 1.00 0.00 N ATOM 0 H ASN A 28 10.432 30.267 18.255 1.00 0.00 H new ATOM 0 HA ASN A 28 9.731 29.696 21.042 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.559 31.396 19.457 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.892 30.003 18.628 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.436 30.955 21.334 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.072 31.717 19.872 1.00 0.00 H new ATOM 436 N GLU A 29 8.511 27.442 20.785 1.00 0.00 N ATOM 437 CA GLU A 29 8.172 26.017 20.735 1.00 0.00 C ATOM 438 C GLU A 29 7.356 25.700 19.483 1.00 0.00 C ATOM 439 O GLU A 29 7.294 24.556 19.037 1.00 0.00 O ATOM 440 CB GLU A 29 7.352 25.625 21.964 1.00 0.00 C ATOM 441 CG GLU A 29 7.292 24.096 22.069 1.00 0.00 C ATOM 442 CD GLU A 29 6.352 23.679 23.198 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.946 24.543 23.954 1.00 0.00 O ATOM 444 OE2 GLU A 29 6.050 22.499 23.283 1.00 0.00 O1- ATOM 0 H GLU A 29 8.170 27.928 21.615 1.00 0.00 H new ATOM 0 HA GLU A 29 9.104 25.452 20.714 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.801 26.045 22.864 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.345 26.035 21.889 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.948 23.673 21.125 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.290 23.698 22.252 1.00 0.00 H new ATOM 451 N GLN A 30 6.714 26.723 18.940 1.00 0.00 N ATOM 452 CA GLN A 30 5.881 26.562 17.753 1.00 0.00 C ATOM 453 C GLN A 30 6.646 25.861 16.636 1.00 0.00 C ATOM 454 O GLN A 30 6.049 25.326 15.703 1.00 0.00 O ATOM 455 CB GLN A 30 5.423 27.934 17.273 1.00 0.00 C ATOM 456 CG GLN A 30 4.788 28.679 18.444 1.00 0.00 C ATOM 457 CD GLN A 30 3.762 27.783 19.128 1.00 0.00 C ATOM 458 OE1 GLN A 30 3.088 26.993 18.466 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.600 27.860 20.419 1.00 0.00 N ATOM 0 H GLN A 30 6.753 27.676 19.301 1.00 0.00 H new ATOM 0 HA GLN A 30 5.019 25.947 18.014 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.269 28.498 16.881 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.706 27.829 16.459 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.556 28.978 19.157 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.309 29.592 18.090 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.160 28.515 20.965 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.914 27.265 20.883 1.00 0.00 H new ATOM 468 N LYS A 31 7.967 25.876 16.732 1.00 0.00 N ATOM 469 CA LYS A 31 8.805 25.248 15.719 1.00 0.00 C ATOM 470 C LYS A 31 8.261 23.873 15.341 1.00 0.00 C ATOM 471 O LYS A 31 8.565 23.346 14.271 1.00 0.00 O ATOM 472 CB LYS A 31 10.224 25.101 16.253 1.00 0.00 C ATOM 473 CG LYS A 31 11.139 24.624 15.126 1.00 0.00 C ATOM 474 CD LYS A 31 12.563 24.468 15.657 1.00 0.00 C ATOM 475 CE LYS A 31 12.693 23.133 16.391 1.00 0.00 C ATOM 476 NZ LYS A 31 12.685 22.026 15.396 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.481 26.314 17.497 1.00 0.00 H new ATOM 0 HA LYS A 31 8.805 25.879 14.830 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.578 26.054 16.646 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.243 24.389 17.078 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.781 23.674 14.730 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.123 25.338 14.303 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.276 24.513 14.834 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.803 25.290 16.331 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.616 23.111 16.970 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.871 23.010 17.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.192 21.206 15.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.703 21.757 15.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.154 22.341 14.523 1.00 0.00 H new ATOM 490 N ASP A 32 7.456 23.298 16.222 1.00 0.00 N ATOM 491 CA ASP A 32 6.871 21.991 15.958 1.00 0.00 C ATOM 492 C ASP A 32 6.033 22.042 14.679 1.00 0.00 C ATOM 493 O ASP A 32 5.995 21.081 13.911 1.00 0.00 O ATOM 494 CB ASP A 32 6.001 21.562 17.145 1.00 0.00 C ATOM 495 CG ASP A 32 6.872 21.344 18.378 1.00 0.00 C ATOM 496 OD1 ASP A 32 8.040 21.034 18.207 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 6.358 21.483 19.476 1.00 0.00 O ATOM 0 H ASP A 32 7.195 23.710 17.118 1.00 0.00 H new ATOM 0 HA ASP A 32 7.670 21.262 15.824 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.250 22.325 17.350 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.465 20.645 16.901 1.00 0.00 H new ATOM 502 N LEU A 33 5.366 23.175 14.452 1.00 0.00 N ATOM 503 CA LEU A 33 4.535 23.334 13.259 1.00 0.00 C ATOM 504 C LEU A 33 5.345 23.052 11.993 1.00 0.00 C ATOM 505 O LEU A 33 4.951 22.223 11.173 1.00 0.00 O ATOM 506 CB LEU A 33 3.969 24.761 13.171 1.00 0.00 C ATOM 507 CG LEU A 33 2.758 24.940 14.100 1.00 0.00 C ATOM 508 CD1 LEU A 33 3.109 24.514 15.529 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.345 26.419 14.104 1.00 0.00 C ATOM 0 H LEU A 33 5.384 23.986 15.070 1.00 0.00 H new ATOM 0 HA LEU A 33 3.715 22.620 13.337 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.744 25.479 13.438 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.676 24.976 12.143 1.00 0.00 H new ATOM 0 HG LEU A 33 1.939 24.318 13.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.239 24.648 16.173 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.406 23.465 15.533 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.932 25.126 15.899 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.486 26.555 14.761 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.175 27.028 14.462 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.080 26.726 13.092 1.00 0.00 H new ATOM 521 N VAL A 34 6.480 23.740 11.828 1.00 0.00 N ATOM 522 CA VAL A 34 7.298 23.520 10.636 1.00 0.00 C ATOM 523 C VAL A 34 7.818 22.094 10.610 1.00 0.00 C ATOM 524 O VAL A 34 7.859 21.460 9.557 1.00 0.00 O ATOM 525 CB VAL A 34 8.481 24.497 10.553 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.309 24.457 11.842 1.00 0.00 C ATOM 527 CG2 VAL A 34 9.374 24.087 9.371 1.00 0.00 C ATOM 0 H VAL A 34 6.843 24.432 12.483 1.00 0.00 H new ATOM 0 HA VAL A 34 6.656 23.698 9.773 1.00 0.00 H new ATOM 0 HB VAL A 34 8.098 25.508 10.416 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.141 25.156 11.762 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.680 24.737 12.687 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.695 23.449 11.995 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.219 24.772 9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.741 23.073 9.527 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.796 24.126 8.448 1.00 0.00 H new ATOM 537 N ALA A 35 8.212 21.595 11.772 1.00 0.00 N ATOM 538 CA ALA A 35 8.726 20.237 11.868 1.00 0.00 C ATOM 539 C ALA A 35 7.710 19.251 11.294 1.00 0.00 C ATOM 540 O ALA A 35 8.071 18.308 10.591 1.00 0.00 O ATOM 541 CB ALA A 35 9.007 19.901 13.336 1.00 0.00 C ATOM 0 H ALA A 35 8.186 22.105 12.655 1.00 0.00 H new ATOM 0 HA ALA A 35 9.651 20.161 11.296 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.392 18.884 13.409 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.745 20.598 13.734 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.084 19.982 13.911 1.00 0.00 H new ATOM 689 N ASN A 45 12.155 26.382 8.376 1.00 0.00 N ATOM 690 CA ASN A 45 10.999 27.134 8.857 1.00 0.00 C ATOM 691 C ASN A 45 9.991 27.414 7.742 1.00 0.00 C ATOM 692 O ASN A 45 9.212 28.365 7.825 1.00 0.00 O ATOM 693 CB ASN A 45 11.478 28.436 9.475 1.00 0.00 C ATOM 694 CG ASN A 45 12.540 28.130 10.531 1.00 0.00 C ATOM 695 OD1 ASN A 45 13.578 28.790 10.583 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.342 27.154 11.377 1.00 0.00 N ATOM 0 HA ASN A 45 10.485 26.531 9.605 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.891 29.088 8.705 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.641 28.968 9.927 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.048 26.938 12.081 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.482 26.608 11.333 1.00 0.00 H new ATOM 703 N GLN A 46 10.021 26.585 6.704 1.00 0.00 N ATOM 704 CA GLN A 46 9.112 26.732 5.563 1.00 0.00 C ATOM 705 C GLN A 46 9.400 28.004 4.772 1.00 0.00 C ATOM 706 O GLN A 46 8.477 28.669 4.313 1.00 0.00 O ATOM 707 CB GLN A 46 7.658 26.801 6.030 1.00 0.00 C ATOM 708 CG GLN A 46 7.297 25.555 6.835 1.00 0.00 C ATOM 709 CD GLN A 46 5.787 25.458 6.986 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.020 26.333 6.393 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 5.291 24.564 7.666 1.00 0.00 N flip ATOM 0 H GLN A 46 10.667 25.799 6.625 1.00 0.00 H new ATOM 0 HA GLN A 46 9.272 25.859 4.930 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.507 27.692 6.640 1.00 0.00 H new ATOM 0 HB3 GLN A 46 6.997 26.889 5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.679 24.665 6.336 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.768 25.597 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 46 5.892 23.882 8.128 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.278 24.504 7.769 1.00 0.00 H new ATOM 720 N LEU A 47 10.667 28.354 4.623 1.00 0.00 N ATOM 721 CA LEU A 47 11.028 29.569 3.899 1.00 0.00 C ATOM 722 C LEU A 47 10.142 29.825 2.672 1.00 0.00 C ATOM 723 O LEU A 47 9.492 30.867 2.588 1.00 0.00 O ATOM 724 CB LEU A 47 12.489 29.484 3.450 1.00 0.00 C ATOM 725 CG LEU A 47 13.401 30.004 4.561 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.748 29.288 4.477 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.623 31.508 4.383 1.00 0.00 C ATOM 0 H LEU A 47 11.458 27.823 4.988 1.00 0.00 H new ATOM 0 HA LEU A 47 10.878 30.401 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.746 28.453 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.635 30.070 2.542 1.00 0.00 H new ATOM 0 HG LEU A 47 12.937 29.817 5.529 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.404 29.654 5.267 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.598 28.215 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.204 29.484 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.273 31.876 5.176 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.089 31.695 3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.665 32.025 4.430 1.00 0.00 H new ATOM 739 N ASP A 48 10.148 28.909 1.705 1.00 0.00 N ATOM 740 CA ASP A 48 9.371 29.109 0.474 1.00 0.00 C ATOM 741 C ASP A 48 7.878 29.303 0.735 1.00 0.00 C ATOM 742 O ASP A 48 7.278 30.275 0.261 1.00 0.00 O ATOM 743 CB ASP A 48 9.566 27.914 -0.465 1.00 0.00 C ATOM 744 CG ASP A 48 10.908 28.028 -1.179 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.590 29.015 -0.961 1.00 0.00 O ATOM 746 OD2 ASP A 48 11.228 27.132 -1.942 1.00 0.00 O1- ATOM 0 H ASP A 48 10.671 28.034 1.744 1.00 0.00 H new ATOM 0 HA ASP A 48 9.744 30.025 0.015 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.524 26.984 0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.758 27.879 -1.195 1.00 0.00 H new ATOM 751 N LEU A 49 7.282 28.389 1.481 1.00 0.00 N ATOM 752 CA LEU A 49 5.858 28.489 1.779 1.00 0.00 C ATOM 753 C LEU A 49 5.568 29.660 2.709 1.00 0.00 C ATOM 754 O LEU A 49 4.587 30.379 2.526 1.00 0.00 O ATOM 755 CB LEU A 49 5.361 27.186 2.394 1.00 0.00 C ATOM 756 CG LEU A 49 5.102 26.172 1.278 1.00 0.00 C ATOM 757 CD1 LEU A 49 3.831 26.562 0.526 1.00 0.00 C ATOM 758 CD2 LEU A 49 6.278 26.164 0.296 1.00 0.00 C ATOM 0 H LEU A 49 7.751 27.579 1.888 1.00 0.00 H new ATOM 0 HA LEU A 49 5.327 28.668 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.100 26.795 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.447 27.363 2.961 1.00 0.00 H new ATOM 0 HG LEU A 49 4.988 25.181 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.644 25.841 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.987 26.568 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.954 27.555 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.086 25.440 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.394 27.156 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.191 25.891 0.824 1.00 0.00 H new ATOM 770 N LEU A 50 6.419 29.842 3.711 1.00 0.00 N ATOM 771 CA LEU A 50 6.223 30.925 4.661 1.00 0.00 C ATOM 772 C LEU A 50 6.199 32.259 3.924 1.00 0.00 C ATOM 773 O LEU A 50 5.350 33.107 4.188 1.00 0.00 O ATOM 774 CB LEU A 50 7.369 30.929 5.681 1.00 0.00 C ATOM 775 CG LEU A 50 6.984 31.759 6.907 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.055 31.598 7.988 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.878 33.232 6.521 1.00 0.00 C ATOM 0 H LEU A 50 7.240 29.262 3.884 1.00 0.00 H new ATOM 0 HA LEU A 50 5.275 30.779 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.600 29.907 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.270 31.338 5.224 1.00 0.00 H new ATOM 0 HG LEU A 50 6.022 31.413 7.286 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.782 32.189 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.132 30.548 8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.015 31.942 7.603 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.604 33.819 7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.838 33.578 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.116 33.352 5.751 1.00 0.00 H new ATOM 789 N HIS A 51 7.134 32.443 2.996 1.00 0.00 N ATOM 790 CA HIS A 51 7.205 33.687 2.242 1.00 0.00 C ATOM 791 C HIS A 51 5.916 33.950 1.470 1.00 0.00 C ATOM 792 O HIS A 51 5.360 35.045 1.552 1.00 0.00 O ATOM 793 CB HIS A 51 8.384 33.641 1.274 1.00 0.00 C ATOM 794 CG HIS A 51 9.669 33.734 2.048 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.838 34.212 1.482 1.00 0.00 N ATOM 796 CD2 HIS A 51 9.983 33.413 3.345 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.795 34.166 2.427 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.326 33.688 3.583 1.00 0.00 N ATOM 0 H HIS A 51 7.845 31.754 2.751 1.00 0.00 H new ATOM 0 HA HIS A 51 7.344 34.501 2.954 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.360 32.716 0.698 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.316 34.463 0.561 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.953 34.540 0.523 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.293 33.009 4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.817 34.477 2.270 1.00 0.00 H new ATOM 807 N LYS A 52 5.439 32.957 0.719 1.00 0.00 N ATOM 808 CA LYS A 52 4.210 33.150 -0.045 1.00 0.00 C ATOM 809 C LYS A 52 3.075 33.496 0.903 1.00 0.00 C ATOM 810 O LYS A 52 2.307 34.429 0.667 1.00 0.00 O ATOM 811 CB LYS A 52 3.869 31.880 -0.832 1.00 0.00 C ATOM 812 CG LYS A 52 4.949 31.658 -1.891 1.00 0.00 C ATOM 813 CD LYS A 52 4.500 30.586 -2.895 1.00 0.00 C ATOM 814 CE LYS A 52 4.524 29.201 -2.239 1.00 0.00 C ATOM 815 NZ LYS A 52 5.459 28.314 -2.989 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.871 32.038 0.625 1.00 0.00 H new ATOM 0 HA LYS A 52 4.353 33.967 -0.752 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.815 31.022 -0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.891 31.978 -1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.153 32.593 -2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.879 31.351 -1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.495 30.810 -3.251 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.156 30.595 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.840 29.284 -1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.522 28.771 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.477 27.374 -2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.139 28.226 -3.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.415 28.723 -2.971 1.00 0.00 H new ATOM 829 N TRP A 53 2.992 32.743 1.982 1.00 0.00 N ATOM 830 CA TRP A 53 1.972 32.954 2.993 1.00 0.00 C ATOM 831 C TRP A 53 2.051 34.382 3.550 1.00 0.00 C ATOM 832 O TRP A 53 1.068 35.127 3.539 1.00 0.00 O ATOM 833 CB TRP A 53 2.225 31.937 4.105 1.00 0.00 C ATOM 834 CG TRP A 53 1.089 31.893 5.068 1.00 0.00 C ATOM 835 CD1 TRP A 53 0.066 31.013 5.015 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.856 32.725 6.239 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.779 31.247 6.083 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.337 32.294 6.864 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.556 33.801 6.815 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.819 32.904 8.020 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.072 34.421 7.979 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.114 33.971 8.581 1.00 0.00 C ATOM 0 H TRP A 53 3.627 31.970 2.183 1.00 0.00 H new ATOM 0 HA TRP A 53 0.977 32.825 2.567 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.374 30.949 3.670 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.143 32.194 4.634 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.069 30.251 4.261 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.626 30.711 6.271 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.470 34.152 6.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.732 32.554 8.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.615 35.248 8.413 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.481 34.450 9.477 1.00 0.00 H new ATOM 853 N LEU A 54 3.228 34.743 4.052 1.00 0.00 N ATOM 854 CA LEU A 54 3.427 36.071 4.635 1.00 0.00 C ATOM 855 C LEU A 54 3.032 37.161 3.644 1.00 0.00 C ATOM 856 O LEU A 54 2.304 38.090 3.991 1.00 0.00 O ATOM 857 CB LEU A 54 4.899 36.273 5.010 1.00 0.00 C ATOM 858 CG LEU A 54 5.057 37.571 5.802 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.751 37.301 7.274 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.500 38.064 5.693 1.00 0.00 C ATOM 0 H LEU A 54 4.053 34.143 4.068 1.00 0.00 H new ATOM 0 HA LEU A 54 2.801 36.138 5.525 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.252 35.429 5.603 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.512 36.309 4.109 1.00 0.00 H new ATOM 0 HG LEU A 54 4.374 38.321 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.862 38.223 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.729 36.935 7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.443 36.552 7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.612 38.989 6.258 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.174 37.309 6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.744 38.246 4.646 1.00 0.00 H new ATOM 872 N ASP A 55 3.522 37.051 2.415 1.00 0.00 N ATOM 873 CA ASP A 55 3.218 38.047 1.395 1.00 0.00 C ATOM 874 C ASP A 55 1.714 38.202 1.200 1.00 0.00 C ATOM 875 O ASP A 55 1.211 39.318 1.066 1.00 0.00 O ATOM 876 CB ASP A 55 3.880 37.656 0.076 1.00 0.00 C ATOM 877 CG ASP A 55 5.383 37.889 0.169 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.790 38.655 1.026 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 6.103 37.306 -0.623 1.00 0.00 O ATOM 0 H ASP A 55 4.125 36.290 2.103 1.00 0.00 H new ATOM 0 HA ASP A 55 3.612 39.006 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.677 36.609 -0.148 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.461 38.243 -0.741 1.00 0.00 H new ATOM 884 N ARG A 56 0.992 37.086 1.188 1.00 0.00 N ATOM 885 CA ARG A 56 -0.454 37.139 1.014 1.00 0.00 C ATOM 886 C ARG A 56 -1.111 37.896 2.158 1.00 0.00 C ATOM 887 O ARG A 56 -2.150 38.531 1.978 1.00 0.00 O ATOM 888 CB ARG A 56 -1.048 35.733 0.944 1.00 0.00 C ATOM 889 CG ARG A 56 -2.563 35.852 0.764 1.00 0.00 C ATOM 890 CD ARG A 56 -3.186 34.461 0.748 1.00 0.00 C ATOM 891 NE ARG A 56 -2.857 33.757 1.980 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.306 32.531 2.217 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.053 31.927 1.332 1.00 0.00 N ATOM 894 NH2 ARG A 56 -2.997 31.928 3.331 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.378 36.148 1.295 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.649 37.660 0.077 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.611 35.178 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.817 35.179 1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.990 36.444 1.574 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.789 36.374 -0.166 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.268 34.539 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.820 33.899 -0.111 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.269 34.216 2.675 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.291 32.398 0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.398 30.985 1.514 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.410 32.399 4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.342 30.986 3.514 1.00 0.00 H new ATOM 908 N HIS A 57 -0.506 37.818 3.337 1.00 0.00 N ATOM 909 CA HIS A 57 -1.054 38.496 4.505 1.00 0.00 C ATOM 910 C HIS A 57 -0.177 39.673 4.920 1.00 0.00 C ATOM 911 O HIS A 57 -0.219 40.104 6.069 1.00 0.00 O ATOM 912 CB HIS A 57 -1.171 37.519 5.677 1.00 0.00 C ATOM 913 CG HIS A 57 -2.030 36.349 5.284 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.415 36.406 5.306 1.00 0.00 N ATOM 915 CD2 HIS A 57 -1.714 35.081 4.867 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.876 35.204 4.913 1.00 0.00 C ATOM 917 NE2 HIS A 57 -2.879 34.359 4.634 1.00 0.00 N ATOM 0 H HIS A 57 0.355 37.298 3.509 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.042 38.871 4.238 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.181 37.172 5.972 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.602 38.024 6.541 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.981 37.212 5.572 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.711 34.701 4.739 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.923 34.953 4.833 1.00 0.00 H new ATOM 926 N ARG A 58 0.613 40.194 3.985 1.00 0.00 N ATOM 927 CA ARG A 58 1.482 41.323 4.290 1.00 0.00 C ATOM 928 C ARG A 58 0.667 42.481 4.864 1.00 0.00 C ATOM 929 O ARG A 58 1.136 43.215 5.732 1.00 0.00 O ATOM 930 CB ARG A 58 2.232 41.769 3.032 1.00 0.00 C ATOM 931 CG ARG A 58 1.239 42.244 1.976 1.00 0.00 C ATOM 932 CD ARG A 58 1.954 42.400 0.632 1.00 0.00 C ATOM 933 NE ARG A 58 3.203 43.149 0.780 1.00 0.00 N ATOM 934 CZ ARG A 58 4.148 43.082 -0.155 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.020 42.244 -1.147 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.215 43.830 -0.069 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.669 39.857 3.024 1.00 0.00 H new ATOM 0 HA ARG A 58 2.212 41.010 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.927 42.572 3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.826 40.943 2.640 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.421 41.529 1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.799 43.194 2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.165 41.416 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.300 42.914 -0.073 1.00 0.00 H new ATOM 0 HE ARG A 58 3.350 43.727 1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.198 41.643 -1.204 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.742 42.190 -1.865 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.327 44.470 0.718 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.936 43.775 -0.788 1.00 0.00 H new ATOM 950 N ASP A 59 -0.555 42.628 4.370 1.00 0.00 N ATOM 951 CA ASP A 59 -1.442 43.693 4.832 1.00 0.00 C ATOM 952 C ASP A 59 -1.740 43.560 6.328 1.00 0.00 C ATOM 953 O ASP A 59 -1.985 44.555 7.020 1.00 0.00 O ATOM 954 CB ASP A 59 -2.745 43.670 4.027 1.00 0.00 C ATOM 955 CG ASP A 59 -2.455 44.051 2.580 1.00 0.00 C ATOM 956 OD1 ASP A 59 -1.698 44.987 2.376 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -2.993 43.405 1.696 1.00 0.00 O ATOM 0 H ASP A 59 -0.956 42.026 3.651 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.939 44.647 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.194 42.678 4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.465 44.365 4.460 1.00 0.00 H new ATOM 962 N MET A 60 -1.728 42.334 6.832 1.00 0.00 N ATOM 963 CA MET A 60 -2.014 42.113 8.242 1.00 0.00 C ATOM 964 C MET A 60 -1.072 42.948 9.114 1.00 0.00 C ATOM 965 O MET A 60 -1.472 43.448 10.165 1.00 0.00 O ATOM 966 CB MET A 60 -1.853 40.630 8.584 1.00 0.00 C ATOM 967 CG MET A 60 -0.379 40.324 8.839 1.00 0.00 C ATOM 968 SD MET A 60 -0.110 38.538 8.768 1.00 0.00 S ATOM 969 CE MET A 60 1.696 38.588 8.847 1.00 0.00 C ATOM 0 H MET A 60 -1.527 41.490 6.296 1.00 0.00 H new ATOM 0 HA MET A 60 -3.042 42.418 8.439 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.445 40.383 9.465 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.227 40.014 7.766 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.241 40.825 8.096 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.081 40.708 9.814 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.091 37.573 8.799 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.081 39.167 8.008 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.007 39.054 9.782 1.00 0.00 H new ATOM 979 N CYS A 61 0.173 43.118 8.663 1.00 0.00 N ATOM 980 CA CYS A 61 1.146 43.911 9.415 1.00 0.00 C ATOM 981 C CYS A 61 0.679 45.350 9.495 1.00 0.00 C ATOM 982 O CYS A 61 0.931 46.050 10.480 1.00 0.00 O ATOM 983 CB CYS A 61 2.510 43.889 8.727 1.00 0.00 C ATOM 984 SG CYS A 61 2.432 44.876 7.211 1.00 0.00 S ATOM 0 H CYS A 61 0.527 42.723 7.792 1.00 0.00 H new ATOM 0 HA CYS A 61 1.234 43.480 10.412 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.273 44.288 9.395 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.795 42.863 8.493 1.00 0.00 H new ATOM 0 HG CYS A 61 1.855 44.186 6.273 1.00 0.00 H new ATOM 990 N GLU A 62 -0.007 45.771 8.443 1.00 0.00 N ATOM 991 CA GLU A 62 -0.525 47.122 8.361 1.00 0.00 C ATOM 992 C GLU A 62 -1.711 47.265 9.304 1.00 0.00 C ATOM 993 O GLU A 62 -2.064 48.371 9.714 1.00 0.00 O ATOM 994 CB GLU A 62 -0.951 47.416 6.918 1.00 0.00 C ATOM 995 CG GLU A 62 -0.551 48.844 6.536 1.00 0.00 C ATOM 996 CD GLU A 62 -1.036 49.826 7.595 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.224 49.827 7.874 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 -0.213 50.562 8.111 1.00 0.00 O ATOM 0 H GLU A 62 -0.217 45.190 7.631 1.00 0.00 H new ATOM 0 HA GLU A 62 0.246 47.835 8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.482 46.704 6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.029 47.291 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.532 48.912 6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.978 49.102 5.567 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.319 46.134 9.654 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.460 46.142 10.560 1.00 0.00 C ATOM 1007 C LYS A 63 -3.018 46.390 12.010 1.00 0.00 C ATOM 1008 O LYS A 63 -3.526 47.301 12.664 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.198 44.802 10.469 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.744 44.624 9.049 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.646 43.389 8.992 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.206 43.235 7.575 1.00 0.00 C ATOM 1013 NZ LYS A 63 -5.162 42.659 6.683 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.042 45.209 9.326 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.125 46.953 10.263 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.522 43.983 10.717 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.014 44.772 11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.305 45.510 8.752 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.920 44.517 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.081 42.499 9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.461 43.487 9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.084 42.589 7.589 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.530 44.204 7.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.593 42.383 5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.422 43.369 6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.741 41.823 7.136 1.00 0.00 H new ATOM 1027 N TRP A 64 -2.066 45.595 12.510 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.584 45.788 13.886 1.00 0.00 C ATOM 1029 C TRP A 64 -0.362 46.708 13.924 1.00 0.00 C ATOM 1030 O TRP A 64 -0.392 47.758 14.567 1.00 0.00 O ATOM 1031 CB TRP A 64 -1.236 44.453 14.558 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.499 43.328 13.624 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.829 43.119 12.479 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.472 42.250 13.736 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.328 41.986 11.866 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -2.344 41.413 12.604 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.444 41.924 14.697 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -3.151 40.292 12.429 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -4.259 40.793 14.527 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -4.111 39.979 13.392 1.00 0.00 C ATOM 0 H TRP A 64 -1.622 44.831 12.000 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.399 46.255 14.439 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -0.188 44.450 14.857 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.827 44.329 15.465 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.029 43.737 12.099 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.988 41.618 10.978 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.565 42.547 15.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.035 39.669 11.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.002 40.548 15.272 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.740 39.111 13.265 1.00 0.00 H new ATOM 1051 N LYS A 65 0.708 46.300 13.231 1.00 0.00 N ATOM 1052 CA LYS A 65 1.946 47.085 13.179 1.00 0.00 C ATOM 1053 C LYS A 65 2.988 46.577 14.193 1.00 0.00 C ATOM 1054 O LYS A 65 4.190 46.734 13.972 1.00 0.00 O ATOM 1055 CB LYS A 65 1.646 48.570 13.429 1.00 0.00 C ATOM 1056 CG LYS A 65 2.693 49.438 12.723 1.00 0.00 C ATOM 1057 CD LYS A 65 2.391 50.917 12.996 1.00 0.00 C ATOM 1058 CE LYS A 65 2.846 51.771 11.806 1.00 0.00 C ATOM 1059 NZ LYS A 65 1.675 52.070 10.930 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.741 45.431 12.699 1.00 0.00 H new ATOM 0 HA LYS A 65 2.369 46.966 12.181 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.649 48.816 13.062 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.651 48.776 14.499 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.692 49.187 13.080 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.680 49.244 11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.323 51.054 13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.902 51.240 13.903 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.294 52.699 12.161 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.613 51.244 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.984 52.649 10.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.266 51.180 10.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.958 52.590 11.475 1.00 0.00 H new ATOM 1073 N SER A 66 2.541 45.967 15.297 1.00 0.00 N ATOM 1074 CA SER A 66 3.481 45.455 16.305 1.00 0.00 C ATOM 1075 C SER A 66 3.934 44.032 15.955 1.00 0.00 C ATOM 1076 O SER A 66 3.114 43.165 15.651 1.00 0.00 O ATOM 1077 CB SER A 66 2.829 45.475 17.694 1.00 0.00 C ATOM 1078 OG SER A 66 1.926 44.384 17.813 1.00 0.00 O ATOM 0 H SER A 66 1.556 45.817 15.514 1.00 0.00 H new ATOM 0 HA SER A 66 4.359 46.102 16.315 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.595 45.412 18.467 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.300 46.416 17.845 1.00 0.00 H new ATOM 0 HG SER A 66 1.010 44.700 17.668 1.00 0.00 H new ATOM 1084 N LYS A 67 5.251 43.812 15.988 1.00 0.00 N ATOM 1085 CA LYS A 67 5.836 42.508 15.657 1.00 0.00 C ATOM 1086 C LYS A 67 5.339 41.391 16.571 1.00 0.00 C ATOM 1087 O LYS A 67 4.930 40.333 16.092 1.00 0.00 O ATOM 1088 CB LYS A 67 7.365 42.609 15.737 1.00 0.00 C ATOM 1089 CG LYS A 67 7.998 41.214 15.719 1.00 0.00 C ATOM 1090 CD LYS A 67 9.526 41.359 15.716 1.00 0.00 C ATOM 1091 CE LYS A 67 10.185 39.978 15.751 1.00 0.00 C ATOM 1092 NZ LYS A 67 11.669 40.137 15.763 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.936 44.524 16.242 1.00 0.00 H new ATOM 0 HA LYS A 67 5.522 42.251 14.645 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.741 43.196 14.899 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.653 43.134 16.648 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.676 40.643 16.590 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.670 40.663 14.837 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.846 41.901 14.826 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.845 41.945 16.578 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.860 39.430 16.635 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.878 39.394 14.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.116 39.246 15.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.942 40.896 15.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.984 40.379 16.724 1.00 0.00 H new ATOM 1106 N GLU A 68 5.410 41.600 17.881 1.00 0.00 N ATOM 1107 CA GLU A 68 4.994 40.564 18.820 1.00 0.00 C ATOM 1108 C GLU A 68 3.528 40.193 18.642 1.00 0.00 C ATOM 1109 O GLU A 68 3.178 39.012 18.665 1.00 0.00 O ATOM 1110 CB GLU A 68 5.201 41.058 20.247 1.00 0.00 C ATOM 1111 CG GLU A 68 6.669 41.417 20.464 1.00 0.00 C ATOM 1112 CD GLU A 68 6.889 41.790 21.925 1.00 0.00 C ATOM 1113 OE1 GLU A 68 5.903 41.955 22.627 1.00 0.00 O ATOM 1114 OE2 GLU A 68 8.036 41.900 22.325 1.00 0.00 O1- ATOM 0 H GLU A 68 5.746 42.462 18.312 1.00 0.00 H new ATOM 0 HA GLU A 68 5.600 39.680 18.624 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.573 41.929 20.434 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.897 40.288 20.956 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.305 40.574 20.193 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.950 42.249 19.819 1.00 0.00 H new ATOM 1121 N ASP A 69 2.668 41.193 18.470 1.00 0.00 N ATOM 1122 CA ASP A 69 1.250 40.906 18.302 1.00 0.00 C ATOM 1123 C ASP A 69 1.035 40.046 17.077 1.00 0.00 C ATOM 1124 O ASP A 69 0.293 39.074 17.113 1.00 0.00 O ATOM 1125 CB ASP A 69 0.427 42.186 18.162 1.00 0.00 C ATOM 1126 CG ASP A 69 -1.056 41.827 18.187 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -1.358 40.678 18.471 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 -1.865 42.699 17.921 1.00 0.00 O ATOM 0 H ASP A 69 2.919 42.181 18.444 1.00 0.00 H new ATOM 0 HA ASP A 69 0.917 40.377 19.195 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.661 42.875 18.973 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.676 42.694 17.230 1.00 0.00 H new ATOM 1133 N ILE A 70 1.702 40.408 15.993 1.00 0.00 N ATOM 1134 CA ILE A 70 1.579 39.660 14.756 1.00 0.00 C ATOM 1135 C ILE A 70 1.970 38.199 14.966 1.00 0.00 C ATOM 1136 O ILE A 70 1.268 37.294 14.527 1.00 0.00 O ATOM 1137 CB ILE A 70 2.477 40.271 13.682 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.031 41.708 13.393 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.364 39.441 12.404 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.196 42.507 12.797 1.00 0.00 C ATOM 0 H ILE A 70 2.330 41.210 15.946 1.00 0.00 H new ATOM 0 HA ILE A 70 0.539 39.706 14.434 1.00 0.00 H new ATOM 0 HB ILE A 70 3.510 40.277 14.031 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.189 41.704 12.700 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.686 42.182 14.312 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.003 39.872 11.633 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.679 38.417 12.606 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.330 39.441 12.060 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.871 43.528 12.594 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.025 42.524 13.504 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.521 42.038 11.868 1.00 0.00 H new ATOM 1152 N LEU A 71 3.096 37.973 15.635 1.00 0.00 N ATOM 1153 CA LEU A 71 3.567 36.615 15.881 1.00 0.00 C ATOM 1154 C LEU A 71 2.505 35.781 16.585 1.00 0.00 C ATOM 1155 O LEU A 71 2.286 34.618 16.243 1.00 0.00 O ATOM 1156 CB LEU A 71 4.831 36.660 16.742 1.00 0.00 C ATOM 1157 CG LEU A 71 5.976 37.287 15.942 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.247 37.301 16.794 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.224 36.457 14.678 1.00 0.00 C ATOM 0 H LEU A 71 3.695 38.706 16.014 1.00 0.00 H new ATOM 0 HA LEU A 71 3.785 36.151 14.919 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.646 37.239 17.647 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.104 35.653 17.058 1.00 0.00 H new ATOM 0 HG LEU A 71 5.711 38.308 15.666 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.062 37.747 16.224 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.073 37.886 17.697 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.513 36.280 17.068 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.039 36.900 14.106 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.490 35.438 14.958 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.320 36.442 14.070 1.00 0.00 H new ATOM 1171 N HIS A 72 1.849 36.382 17.567 1.00 0.00 N ATOM 1172 CA HIS A 72 0.814 35.689 18.316 1.00 0.00 C ATOM 1173 C HIS A 72 -0.308 35.242 17.387 1.00 0.00 C ATOM 1174 O HIS A 72 -0.787 34.113 17.475 1.00 0.00 O ATOM 1175 CB HIS A 72 0.270 36.621 19.403 1.00 0.00 C ATOM 1176 CG HIS A 72 1.394 36.983 20.340 1.00 0.00 C ATOM 1177 ND1 HIS A 72 1.766 38.173 20.918 1.00 0.00 N flip ATOM 1178 CD2 HIS A 72 2.330 36.053 20.765 1.00 0.00 C flip ATOM 1179 CE1 HIS A 72 2.914 37.990 21.679 1.00 0.00 C flip ATOM 1180 NE2 HIS A 72 3.212 36.694 21.554 1.00 0.00 N flip ATOM 0 H HIS A 72 2.015 37.344 17.862 1.00 0.00 H new ATOM 0 HA HIS A 72 1.240 34.800 18.782 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.151 37.520 18.953 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.535 36.132 19.951 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.348 35.004 20.509 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.450 38.735 22.249 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.011 36.245 22.002 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.709 36.130 16.485 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.769 35.806 15.533 1.00 0.00 C ATOM 1191 C LYS A 73 -1.328 34.670 14.613 1.00 0.00 C ATOM 1192 O LYS A 73 -2.055 33.697 14.424 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.111 37.034 14.693 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.354 38.237 15.610 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.502 37.958 16.584 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.821 39.233 17.369 1.00 0.00 C ATOM 1197 NZ LYS A 73 -3.481 39.025 18.807 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.323 37.069 16.391 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.650 35.491 16.092 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.297 37.251 14.001 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.998 36.839 14.091 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.445 38.464 16.168 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.587 39.116 15.009 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.384 37.623 16.038 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.227 37.155 17.268 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.254 40.073 16.967 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.877 39.483 17.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.211 39.464 19.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.435 38.006 19.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.559 39.460 19.012 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.131 34.800 14.040 1.00 0.00 N ATOM 1212 CA LEU A 74 0.380 33.762 13.144 1.00 0.00 C ATOM 1213 C LEU A 74 0.434 32.430 13.870 1.00 0.00 C ATOM 1214 O LEU A 74 0.071 31.401 13.318 1.00 0.00 O ATOM 1215 CB LEU A 74 1.787 34.095 12.631 1.00 0.00 C ATOM 1216 CG LEU A 74 1.722 35.060 11.438 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.655 36.124 11.672 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.084 35.740 11.264 1.00 0.00 C ATOM 0 H LEU A 74 0.492 35.596 14.176 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.299 33.707 12.293 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.375 34.541 13.433 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.297 33.178 12.335 1.00 0.00 H new ATOM 0 HG LEU A 74 1.468 34.496 10.541 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.622 36.800 10.818 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.316 35.645 11.794 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.896 36.689 12.572 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.043 36.426 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.332 36.294 12.169 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.847 34.984 11.081 1.00 0.00 H new ATOM 1230 N ASN A 75 0.891 32.455 15.109 1.00 0.00 N ATOM 1231 CA ASN A 75 0.986 31.231 15.882 1.00 0.00 C ATOM 1232 C ASN A 75 -0.377 30.539 15.948 1.00 0.00 C ATOM 1233 O ASN A 75 -0.487 29.345 15.670 1.00 0.00 O ATOM 1234 CB ASN A 75 1.484 31.562 17.290 1.00 0.00 C ATOM 1235 CG ASN A 75 2.862 32.218 17.205 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.415 32.406 16.035 1.00 0.00 O flip ATOM 1237 ND2 ASN A 75 3.449 32.571 18.228 1.00 0.00 N flip ATOM 0 H ASN A 75 1.198 33.297 15.596 1.00 0.00 H new ATOM 0 HA ASN A 75 1.690 30.552 15.401 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.782 32.231 17.787 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.539 30.654 17.890 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.017 32.424 19.140 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.367 33.010 18.163 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.413 31.300 16.297 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.765 30.745 16.384 1.00 0.00 C ATOM 1246 C GLU A 76 -3.283 30.361 15.001 1.00 0.00 C ATOM 1247 O GLU A 76 -3.936 29.330 14.829 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.719 31.776 16.993 1.00 0.00 C ATOM 1249 CG GLU A 76 -3.197 32.231 18.356 1.00 0.00 C ATOM 1250 CD GLU A 76 -3.112 31.049 19.312 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -3.684 30.017 19.002 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -2.473 31.193 20.341 1.00 0.00 O ATOM 0 H GLU A 76 -1.345 32.293 16.522 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.722 29.857 17.014 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.815 32.633 16.327 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.714 31.344 17.101 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.213 32.687 18.242 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.856 32.994 18.769 1.00 0.00 H new ATOM 1259 N GLN A 77 -3.001 31.208 14.018 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.456 30.963 12.657 1.00 0.00 C ATOM 1261 C GLN A 77 -2.670 29.829 12.010 1.00 0.00 C ATOM 1262 O GLN A 77 -3.247 28.929 11.400 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.312 32.237 11.825 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.929 32.016 10.444 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.424 31.735 10.573 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -6.161 32.534 11.152 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -5.917 30.637 10.065 1.00 0.00 N ATOM 0 H GLN A 77 -2.462 32.066 14.138 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.505 30.670 12.696 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.806 33.069 12.327 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.260 32.503 11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.769 32.896 9.821 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.436 31.180 9.947 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.305 29.977 9.586 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.914 30.440 10.147 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.354 29.866 12.157 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.514 28.822 11.591 1.00 0.00 C ATOM 1278 C TRP A 78 -1.006 27.472 12.086 1.00 0.00 C ATOM 1279 O TRP A 78 -1.120 26.516 11.320 1.00 0.00 O ATOM 1280 CB TRP A 78 0.938 29.041 12.024 1.00 0.00 C ATOM 1281 CG TRP A 78 1.882 28.328 11.109 1.00 0.00 C ATOM 1282 CD1 TRP A 78 1.773 27.044 10.692 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.100 28.851 10.512 1.00 0.00 C ATOM 1284 NE1 TRP A 78 2.845 26.753 9.868 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.692 27.837 9.729 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.738 30.101 10.575 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 4.881 28.058 9.033 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.934 30.326 9.878 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.506 29.306 9.108 1.00 0.00 C ATOM 0 H TRP A 78 -0.850 30.598 12.657 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.566 28.852 10.503 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.164 30.107 12.027 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.075 28.684 13.045 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.980 26.361 10.959 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.993 25.850 9.418 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.304 30.895 11.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.316 27.268 8.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.416 31.291 9.935 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.428 29.483 8.573 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.316 27.410 13.376 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.810 26.179 13.971 1.00 0.00 C ATOM 1302 C ASN A 79 -3.088 25.713 13.284 1.00 0.00 C ATOM 1303 O ASN A 79 -3.227 24.536 12.954 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.088 26.410 15.455 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.773 26.590 16.205 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.264 26.093 15.764 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -0.752 27.275 17.315 1.00 0.00 N ATOM 0 H ASN A 79 -1.234 28.193 14.024 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.051 25.407 13.847 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.714 27.293 15.584 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.639 25.565 15.867 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.125 27.400 17.820 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.613 27.685 17.677 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.015 26.637 13.072 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.277 26.296 12.429 1.00 0.00 C ATOM 1316 C LYS A 80 -5.144 26.350 10.911 1.00 0.00 C ATOM 1317 O LYS A 80 -6.103 26.091 10.184 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.363 27.266 12.888 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.388 27.295 14.415 1.00 0.00 C ATOM 1320 CD LYS A 80 -6.977 25.988 14.944 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.270 26.139 16.435 1.00 0.00 C ATOM 1322 NZ LYS A 80 -6.018 26.523 17.146 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.919 27.619 13.333 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.549 25.280 12.714 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.168 28.264 12.495 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.334 26.956 12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.379 27.434 14.803 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.982 28.140 14.763 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.891 25.742 14.404 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.279 25.167 14.779 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.038 26.897 16.592 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.658 25.204 16.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.124 26.333 18.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.222 25.968 16.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.833 27.536 17.000 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.948 26.682 10.441 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.695 26.761 9.009 1.00 0.00 C ATOM 1338 C ASP A 81 -3.411 25.368 8.448 1.00 0.00 C ATOM 1339 O ASP A 81 -4.210 24.479 8.696 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.501 27.684 8.746 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.411 28.023 7.262 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -3.284 27.601 6.521 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -1.470 28.706 6.888 1.00 0.00 O ATOM 1344 OXT ASP A 81 -2.399 25.210 7.787 1.00 0.00 O ATOM 0 H ASP A 81 -3.142 26.900 11.027 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.577 27.166 8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.604 28.599 9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.580 27.201 9.072 1.00 0.00 H new