USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=12 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= -8.02! C(o=-25!,f=-27!) USER MOD Set 1.2: A 30 GLN : amide:sc= -11.2! C(o=-25!,f=-31!) USER MOD Set 1.3: A 75 ASN : amide:sc= -6.24! C(o=-25!,f=-28!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ -151:sc= 0.487 (180deg=0) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -7.83! C(o=-7.3!,f=-12!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -172:sc= -0.564 USER MOD Single : A 15 ASN : amide:sc= -2.1 K(o=-2.1,f=-2.7) USER MOD Single : A 16 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.085) USER MOD Single : A 19 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.61) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.463 K(o=-0.46,f=-3.8!) USER MOD Single : A 46 GLN :FLIP amide:sc= -2.09! C(o=-4.6!,f=-2.1!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= 0.847 K(o=0.85,f=-9.3!) USER MOD Single : A 60 MET CE :methyl 166:sc= 0 (180deg=-0.0881) USER MOD Single : A 61 CYS SG : rot -74:sc= -1.42! USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= 0.436 (180deg=-0.577) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -77:sc= -1.58! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc=-0.00581 K(o=-0.0058,f=-1.4) USER MOD Single : A 73 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00504) USER MOD Single : A 77 GLN : amide:sc= -1.74 K(o=-1.7,f=-4.1!) USER MOD Single : A 79 ASN :FLIP amide:sc= -1 F(o=-5.3!,f=-1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 4.179 51.390 2.036 1.00 0.00 N ATOM 93 CA LYS A 8 4.285 49.934 2.018 1.00 0.00 C ATOM 94 C LYS A 8 5.682 49.490 2.436 1.00 0.00 C ATOM 95 O LYS A 8 6.639 50.262 2.357 1.00 0.00 O ATOM 96 CB LYS A 8 4.003 49.411 0.608 1.00 0.00 C ATOM 97 CG LYS A 8 2.618 49.875 0.155 1.00 0.00 C ATOM 98 CD LYS A 8 2.356 49.379 -1.270 1.00 0.00 C ATOM 99 CE LYS A 8 2.211 47.856 -1.265 1.00 0.00 C ATOM 100 NZ LYS A 8 1.212 47.444 -2.293 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.555 49.531 2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.763 49.774 -0.084 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.055 48.322 0.596 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.854 49.491 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.557 50.963 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.450 49.839 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.176 49.674 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 8 3.174 47.388 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.895 47.514 -0.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.115 46.409 -2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.292 47.879 -2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.531 47.757 -3.232 1.00 0.00 H new ATOM 114 N PHE A 9 5.795 48.238 2.867 1.00 0.00 N ATOM 115 CA PHE A 9 7.083 47.696 3.284 1.00 0.00 C ATOM 116 C PHE A 9 7.923 47.328 2.066 1.00 0.00 C ATOM 117 O PHE A 9 7.416 46.750 1.103 1.00 0.00 O ATOM 118 CB PHE A 9 6.872 46.449 4.149 1.00 0.00 C ATOM 119 CG PHE A 9 6.318 46.851 5.495 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.171 47.386 6.467 1.00 0.00 C ATOM 121 CD2 PHE A 9 4.953 46.694 5.769 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.661 47.761 7.715 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.442 47.071 7.019 1.00 0.00 C ATOM 124 CZ PHE A 9 5.297 47.606 7.992 1.00 0.00 C ATOM 0 H PHE A 9 5.016 47.583 2.936 1.00 0.00 H new ATOM 0 HA PHE A 9 7.606 48.457 3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.186 45.762 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.816 45.919 4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.223 47.509 6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.295 46.283 5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.320 48.171 8.466 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.390 46.949 7.232 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.904 47.899 8.955 1.00 0.00 H new ATOM 134 N THR A 10 9.206 47.668 2.113 1.00 0.00 N ATOM 135 CA THR A 10 10.104 47.369 1.004 1.00 0.00 C ATOM 136 C THR A 10 10.571 45.923 1.085 1.00 0.00 C ATOM 137 O THR A 10 10.518 45.303 2.146 1.00 0.00 O ATOM 138 CB THR A 10 11.322 48.299 1.045 1.00 0.00 C ATOM 139 OG1 THR A 10 12.064 48.060 2.232 1.00 0.00 O ATOM 140 CG2 THR A 10 10.863 49.757 1.013 1.00 0.00 C ATOM 0 H THR A 10 9.645 48.147 2.900 1.00 0.00 H new ATOM 0 HA THR A 10 9.564 47.523 0.070 1.00 0.00 H new ATOM 0 HB THR A 10 11.952 48.102 0.177 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.767 48.737 2.320 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.733 50.413 1.042 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.300 49.941 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.228 49.958 1.876 1.00 0.00 H new ATOM 148 N ASP A 11 11.025 45.380 -0.038 1.00 0.00 N ATOM 149 CA ASP A 11 11.492 44.002 -0.057 1.00 0.00 C ATOM 150 C ASP A 11 12.575 43.802 0.995 1.00 0.00 C ATOM 151 O ASP A 11 12.608 42.779 1.678 1.00 0.00 O ATOM 152 CB ASP A 11 12.044 43.651 -1.437 1.00 0.00 C ATOM 153 CG ASP A 11 10.907 43.600 -2.451 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.765 43.571 -2.025 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.195 43.589 -3.635 1.00 0.00 O ATOM 0 H ASP A 11 11.079 45.865 -0.934 1.00 0.00 H new ATOM 0 HA ASP A 11 10.651 43.346 0.167 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.783 44.392 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.554 42.689 -1.401 1.00 0.00 H new ATOM 160 N ASP A 12 13.455 44.788 1.126 1.00 0.00 N ATOM 161 CA ASP A 12 14.526 44.702 2.107 1.00 0.00 C ATOM 162 C ASP A 12 13.935 44.673 3.510 1.00 0.00 C ATOM 163 O ASP A 12 14.341 43.872 4.351 1.00 0.00 O ATOM 164 CB ASP A 12 15.469 45.896 1.952 1.00 0.00 C ATOM 165 CG ASP A 12 16.096 45.880 0.561 1.00 0.00 C ATOM 166 OD1 ASP A 12 15.928 44.889 -0.130 1.00 0.00 O ATOM 167 OD2 ASP A 12 16.731 46.860 0.206 1.00 0.00 O1- ATOM 0 H ASP A 12 13.448 45.645 0.573 1.00 0.00 H new ATOM 0 HA ASP A 12 15.093 43.785 1.944 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.921 46.826 2.104 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.248 45.857 2.713 1.00 0.00 H new ATOM 172 N GLU A 13 12.954 45.536 3.745 1.00 0.00 N ATOM 173 CA GLU A 13 12.286 45.590 5.036 1.00 0.00 C ATOM 174 C GLU A 13 11.458 44.329 5.236 1.00 0.00 C ATOM 175 O GLU A 13 11.377 43.784 6.338 1.00 0.00 O ATOM 176 CB GLU A 13 11.388 46.825 5.091 1.00 0.00 C ATOM 177 CG GLU A 13 12.258 48.081 5.207 1.00 0.00 C ATOM 178 CD GLU A 13 13.101 48.015 6.478 1.00 0.00 C ATOM 179 OE1 GLU A 13 12.646 47.410 7.435 1.00 0.00 O ATOM 180 OE2 GLU A 13 14.192 48.565 6.475 1.00 0.00 O1- ATOM 0 H GLU A 13 12.605 46.206 3.059 1.00 0.00 H new ATOM 0 HA GLU A 13 13.029 45.654 5.831 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.770 46.879 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.711 46.758 5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.906 48.167 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.628 48.970 5.224 1.00 0.00 H new ATOM 187 N TRP A 14 10.853 43.864 4.151 1.00 0.00 N ATOM 188 CA TRP A 14 10.048 42.662 4.203 1.00 0.00 C ATOM 189 C TRP A 14 10.934 41.476 4.569 1.00 0.00 C ATOM 190 O TRP A 14 10.590 40.684 5.443 1.00 0.00 O ATOM 191 CB TRP A 14 9.383 42.440 2.847 1.00 0.00 C ATOM 192 CG TRP A 14 8.120 41.653 3.008 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.829 40.536 2.310 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.976 41.902 3.884 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.581 40.074 2.699 1.00 0.00 N ATOM 196 CE2 TRP A 14 6.017 40.881 3.665 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.672 42.900 4.835 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.808 40.848 4.361 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.454 42.867 5.536 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.526 41.844 5.301 1.00 0.00 C ATOM 0 H TRP A 14 10.907 44.302 3.231 1.00 0.00 H new ATOM 0 HA TRP A 14 9.271 42.765 4.961 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.164 43.401 2.381 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.066 41.912 2.182 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.465 40.076 1.568 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.135 39.240 2.318 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.379 43.694 5.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.095 40.059 4.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.232 43.636 6.261 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.594 41.825 5.846 1.00 0.00 H new ATOM 211 N ASN A 15 12.081 41.360 3.899 1.00 0.00 N ATOM 212 CA ASN A 15 13.012 40.264 4.172 1.00 0.00 C ATOM 213 C ASN A 15 13.369 40.222 5.650 1.00 0.00 C ATOM 214 O ASN A 15 13.447 39.154 6.256 1.00 0.00 O ATOM 215 CB ASN A 15 14.296 40.472 3.371 1.00 0.00 C ATOM 216 CG ASN A 15 13.996 40.470 1.877 1.00 0.00 C ATOM 217 OD1 ASN A 15 13.082 39.781 1.427 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.713 41.213 1.078 1.00 0.00 N ATOM 0 H ASN A 15 12.386 42.005 3.170 1.00 0.00 H new ATOM 0 HA ASN A 15 12.532 39.328 3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.760 41.417 3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.011 39.683 3.606 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.516 41.223 0.077 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.470 41.783 1.455 1.00 0.00 H new ATOM 225 N GLN A 16 13.568 41.400 6.221 1.00 0.00 N ATOM 226 CA GLN A 16 13.899 41.508 7.631 1.00 0.00 C ATOM 227 C GLN A 16 12.735 40.961 8.445 1.00 0.00 C ATOM 228 O GLN A 16 12.923 40.227 9.416 1.00 0.00 O ATOM 229 CB GLN A 16 14.155 42.976 7.973 1.00 0.00 C ATOM 230 CG GLN A 16 15.375 43.461 7.181 1.00 0.00 C ATOM 231 CD GLN A 16 15.438 44.985 7.174 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.360 45.616 8.227 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.576 45.614 6.038 1.00 0.00 N ATOM 0 H GLN A 16 13.506 42.292 5.730 1.00 0.00 H new ATOM 0 HA GLN A 16 14.797 40.935 7.862 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.281 43.579 7.727 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.330 43.090 9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.286 43.056 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.323 43.089 6.158 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.640 45.086 5.167 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.620 46.633 6.021 1.00 0.00 H new ATOM 242 N LEU A 17 11.528 41.318 8.024 1.00 0.00 N ATOM 243 CA LEU A 17 10.323 40.856 8.696 1.00 0.00 C ATOM 244 C LEU A 17 10.221 39.333 8.617 1.00 0.00 C ATOM 245 O LEU A 17 9.799 38.681 9.574 1.00 0.00 O ATOM 246 CB LEU A 17 9.089 41.490 8.050 1.00 0.00 C ATOM 247 CG LEU A 17 7.831 41.028 8.783 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.729 41.734 10.135 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.599 41.364 7.938 1.00 0.00 C ATOM 0 H LEU A 17 11.359 41.925 7.222 1.00 0.00 H new ATOM 0 HA LEU A 17 10.373 41.152 9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.165 42.577 8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.033 41.210 6.998 1.00 0.00 H new ATOM 0 HG LEU A 17 7.883 39.951 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.830 41.400 10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.605 41.494 10.738 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.679 42.812 9.980 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.700 41.035 8.459 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.551 42.441 7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.668 40.855 6.976 1.00 0.00 H new ATOM 261 N LYS A 18 10.617 38.764 7.481 1.00 0.00 N ATOM 262 CA LYS A 18 10.565 37.319 7.320 1.00 0.00 C ATOM 263 C LYS A 18 11.433 36.637 8.359 1.00 0.00 C ATOM 264 O LYS A 18 11.022 35.654 8.973 1.00 0.00 O ATOM 265 CB LYS A 18 11.049 36.929 5.929 1.00 0.00 C ATOM 266 CG LYS A 18 10.104 37.521 4.895 1.00 0.00 C ATOM 267 CD LYS A 18 10.488 37.023 3.508 1.00 0.00 C ATOM 268 CE LYS A 18 9.673 37.780 2.464 1.00 0.00 C ATOM 269 NZ LYS A 18 8.795 36.830 1.722 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.972 39.274 6.672 1.00 0.00 H new ATOM 0 HA LYS A 18 9.531 36.998 7.451 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.063 37.295 5.766 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.082 35.844 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.076 37.238 5.122 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.149 38.610 4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.554 37.174 3.336 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.301 35.952 3.427 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.068 38.547 2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.340 38.291 1.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.631 37.189 0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.256 35.899 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.885 36.739 2.218 1.00 0.00 H new ATOM 283 N GLN A 19 12.640 37.154 8.549 1.00 0.00 N ATOM 284 CA GLN A 19 13.546 36.565 9.515 1.00 0.00 C ATOM 285 C GLN A 19 12.918 36.612 10.898 1.00 0.00 C ATOM 286 O GLN A 19 13.041 35.664 11.670 1.00 0.00 O ATOM 287 CB GLN A 19 14.873 37.314 9.506 1.00 0.00 C ATOM 288 CG GLN A 19 15.465 37.257 8.098 1.00 0.00 C ATOM 289 CD GLN A 19 15.804 35.819 7.720 1.00 0.00 C ATOM 290 OE1 GLN A 19 16.329 35.064 8.539 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.539 35.399 6.514 1.00 0.00 N ATOM 0 H GLN A 19 13.006 37.967 8.054 1.00 0.00 H new ATOM 0 HA GLN A 19 13.734 35.525 9.249 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.723 38.350 9.810 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.562 36.868 10.223 1.00 0.00 H new ATOM 0 HG2 GLN A 19 14.755 37.670 7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.363 37.874 8.049 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.104 36.028 5.839 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.767 34.442 6.246 1.00 0.00 H new ATOM 300 N ASP A 20 12.247 37.719 11.210 1.00 0.00 N ATOM 301 CA ASP A 20 11.608 37.862 12.509 1.00 0.00 C ATOM 302 C ASP A 20 10.635 36.710 12.733 1.00 0.00 C ATOM 303 O ASP A 20 10.596 36.121 13.814 1.00 0.00 O ATOM 304 CB ASP A 20 10.839 39.186 12.565 1.00 0.00 C ATOM 305 CG ASP A 20 11.783 40.363 12.339 1.00 0.00 C ATOM 306 OD1 ASP A 20 12.970 40.204 12.572 1.00 0.00 O ATOM 307 OD2 ASP A 20 11.304 41.410 11.932 1.00 0.00 O1- ATOM 0 H ASP A 20 12.134 38.519 10.587 1.00 0.00 H new ATOM 0 HA ASP A 20 12.374 37.851 13.284 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.055 39.190 11.807 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.348 39.287 13.533 1.00 0.00 H new ATOM 312 N PHE A 21 9.861 36.380 11.700 1.00 0.00 N ATOM 313 CA PHE A 21 8.908 35.281 11.803 1.00 0.00 C ATOM 314 C PHE A 21 9.642 33.952 11.894 1.00 0.00 C ATOM 315 O PHE A 21 9.416 33.165 12.811 1.00 0.00 O ATOM 316 CB PHE A 21 7.988 35.254 10.578 1.00 0.00 C ATOM 317 CG PHE A 21 7.063 36.451 10.569 1.00 0.00 C ATOM 318 CD1 PHE A 21 6.282 36.756 11.692 1.00 0.00 C ATOM 319 CD2 PHE A 21 6.970 37.245 9.421 1.00 0.00 C ATOM 320 CE1 PHE A 21 5.419 37.859 11.669 1.00 0.00 C ATOM 321 CE2 PHE A 21 6.103 38.345 9.396 1.00 0.00 C ATOM 322 CZ PHE A 21 5.328 38.650 10.519 1.00 0.00 C ATOM 0 H PHE A 21 9.875 36.851 10.796 1.00 0.00 H new ATOM 0 HA PHE A 21 8.313 35.434 12.703 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.588 35.247 9.668 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.401 34.336 10.580 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.346 36.140 12.577 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.568 37.010 8.553 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.824 38.098 12.538 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.033 38.957 8.509 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.658 39.497 10.499 1.00 0.00 H new ATOM 332 N ILE A 22 10.528 33.708 10.939 1.00 0.00 N ATOM 333 CA ILE A 22 11.294 32.475 10.936 1.00 0.00 C ATOM 334 C ILE A 22 12.107 32.364 12.220 1.00 0.00 C ATOM 335 O ILE A 22 12.236 31.283 12.795 1.00 0.00 O ATOM 336 CB ILE A 22 12.199 32.426 9.702 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.315 32.375 8.447 1.00 0.00 C ATOM 338 CG2 ILE A 22 13.095 31.185 9.759 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.186 32.345 7.189 1.00 0.00 C ATOM 0 H ILE A 22 10.731 34.341 10.165 1.00 0.00 H new ATOM 0 HA ILE A 22 10.613 31.625 10.892 1.00 0.00 H new ATOM 0 HB ILE A 22 12.834 33.312 9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.677 31.492 8.478 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.656 33.243 8.422 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.736 31.158 8.877 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.713 31.224 10.656 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.475 30.289 9.784 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.548 32.309 6.306 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.805 33.242 7.153 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.826 31.463 7.211 1.00 0.00 H new ATOM 351 N SER A 23 12.639 33.494 12.674 1.00 0.00 N ATOM 352 CA SER A 23 13.420 33.513 13.904 1.00 0.00 C ATOM 353 C SER A 23 12.558 33.054 15.079 1.00 0.00 C ATOM 354 O SER A 23 12.962 32.197 15.865 1.00 0.00 O ATOM 355 CB SER A 23 13.957 34.924 14.171 1.00 0.00 C ATOM 356 OG SER A 23 14.886 34.876 15.247 1.00 0.00 O ATOM 0 H SER A 23 12.545 34.399 12.214 1.00 0.00 H new ATOM 0 HA SER A 23 14.263 32.831 13.793 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.439 35.318 13.276 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.136 35.598 14.414 1.00 0.00 H new ATOM 0 HG SER A 23 15.233 35.776 15.420 1.00 0.00 H new ATOM 362 N GLY A 24 11.372 33.642 15.194 1.00 0.00 N ATOM 363 CA GLY A 24 10.453 33.305 16.278 1.00 0.00 C ATOM 364 C GLY A 24 9.897 31.890 16.134 1.00 0.00 C ATOM 365 O GLY A 24 9.447 31.295 17.112 1.00 0.00 O ATOM 0 H GLY A 24 11.024 34.353 14.551 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.969 33.397 17.233 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.630 34.019 16.291 1.00 0.00 H new ATOM 369 N ILE A 25 9.932 31.353 14.920 1.00 0.00 N ATOM 370 CA ILE A 25 9.425 30.004 14.678 1.00 0.00 C ATOM 371 C ILE A 25 10.380 28.961 15.241 1.00 0.00 C ATOM 372 O ILE A 25 9.956 27.965 15.830 1.00 0.00 O ATOM 373 CB ILE A 25 9.269 29.775 13.175 1.00 0.00 C ATOM 374 CG1 ILE A 25 8.073 30.576 12.652 1.00 0.00 C ATOM 375 CG2 ILE A 25 9.059 28.285 12.901 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.788 29.770 12.854 1.00 0.00 C ATOM 0 H ILE A 25 10.302 31.824 14.094 1.00 0.00 H new ATOM 0 HA ILE A 25 8.459 29.906 15.174 1.00 0.00 H new ATOM 0 HB ILE A 25 10.172 30.108 12.663 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.003 31.529 13.177 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.209 30.804 11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.948 28.124 11.829 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.919 27.723 13.265 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.160 27.944 13.414 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.938 30.341 12.481 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.859 28.829 12.309 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.650 29.565 13.916 1.00 0.00 H new ATOM 388 N LEU A 26 11.670 29.196 15.048 1.00 0.00 N ATOM 389 CA LEU A 26 12.686 28.274 15.534 1.00 0.00 C ATOM 390 C LEU A 26 13.045 28.576 16.989 1.00 0.00 C ATOM 391 O LEU A 26 13.506 27.695 17.717 1.00 0.00 O ATOM 392 CB LEU A 26 13.925 28.358 14.634 1.00 0.00 C ATOM 393 CG LEU A 26 14.777 29.570 15.014 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.605 29.252 16.262 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.716 29.899 13.848 1.00 0.00 C ATOM 0 H LEU A 26 12.037 30.014 14.561 1.00 0.00 H new ATOM 0 HA LEU A 26 12.291 27.259 15.498 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.515 27.446 14.730 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.620 28.432 13.590 1.00 0.00 H new ATOM 0 HG LEU A 26 14.130 30.422 15.224 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.210 30.119 16.528 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.938 29.008 17.089 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.258 28.403 16.059 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.329 30.762 14.107 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.360 29.043 13.647 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.127 30.126 12.959 1.00 0.00 H new ATOM 407 N GLU A 27 12.830 29.822 17.406 1.00 0.00 N ATOM 408 CA GLU A 27 13.130 30.230 18.777 1.00 0.00 C ATOM 409 C GLU A 27 12.091 29.687 19.764 1.00 0.00 C ATOM 410 O GLU A 27 12.432 29.294 20.881 1.00 0.00 O ATOM 411 CB GLU A 27 13.175 31.759 18.862 1.00 0.00 C ATOM 412 CG GLU A 27 13.487 32.196 20.298 1.00 0.00 C ATOM 413 CD GLU A 27 14.880 31.723 20.705 1.00 0.00 C ATOM 414 OE1 GLU A 27 15.676 31.456 19.822 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 15.127 31.631 21.897 1.00 0.00 O ATOM 0 H GLU A 27 12.451 30.564 16.817 1.00 0.00 H new ATOM 0 HA GLU A 27 14.101 29.815 19.048 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.934 32.147 18.182 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.220 32.177 18.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.427 33.282 20.376 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.742 31.786 20.980 1.00 0.00 H new ATOM 422 N ASN A 28 10.823 29.675 19.353 1.00 0.00 N ATOM 423 CA ASN A 28 9.751 29.185 20.217 1.00 0.00 C ATOM 424 C ASN A 28 9.500 27.694 19.986 1.00 0.00 C ATOM 425 O ASN A 28 9.911 27.138 18.970 1.00 0.00 O ATOM 426 CB ASN A 28 8.471 29.984 19.950 1.00 0.00 C ATOM 427 CG ASN A 28 7.945 29.684 18.550 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.479 28.816 17.858 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.929 30.359 18.087 1.00 0.00 N ATOM 0 H ASN A 28 10.515 29.996 18.435 1.00 0.00 H new ATOM 0 HA ASN A 28 10.052 29.319 21.256 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.714 29.731 20.693 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.672 31.051 20.050 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.575 30.169 17.150 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.489 31.077 18.662 1.00 0.00 H new ATOM 436 N GLU A 29 8.829 27.050 20.938 1.00 0.00 N ATOM 437 CA GLU A 29 8.540 25.620 20.828 1.00 0.00 C ATOM 438 C GLU A 29 7.749 25.318 19.558 1.00 0.00 C ATOM 439 O GLU A 29 7.822 24.212 19.020 1.00 0.00 O ATOM 440 CB GLU A 29 7.748 25.146 22.049 1.00 0.00 C ATOM 441 CG GLU A 29 7.575 23.627 21.979 1.00 0.00 C ATOM 442 CD GLU A 29 6.743 23.134 23.159 1.00 0.00 C ATOM 443 OE1 GLU A 29 6.440 23.940 24.022 1.00 0.00 O ATOM 444 OE2 GLU A 29 6.424 21.957 23.181 1.00 0.00 O1- ATOM 0 H GLU A 29 8.477 27.490 21.788 1.00 0.00 H new ATOM 0 HA GLU A 29 9.490 25.087 20.782 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.270 25.423 22.965 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.774 25.634 22.077 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.089 23.352 21.043 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.551 23.142 21.986 1.00 0.00 H new ATOM 451 N GLN A 30 6.990 26.305 19.094 1.00 0.00 N ATOM 452 CA GLN A 30 6.176 26.141 17.892 1.00 0.00 C ATOM 453 C GLN A 30 7.018 25.605 16.734 1.00 0.00 C ATOM 454 O GLN A 30 6.490 25.259 15.670 1.00 0.00 O ATOM 455 CB GLN A 30 5.554 27.482 17.508 1.00 0.00 C ATOM 456 CG GLN A 30 4.687 27.991 18.664 1.00 0.00 C ATOM 457 CD GLN A 30 3.986 29.283 18.261 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.451 30.372 18.592 1.00 0.00 O ATOM 459 NE2 GLN A 30 2.888 29.226 17.559 1.00 0.00 N ATOM 0 H GLN A 30 6.921 27.225 19.529 1.00 0.00 H new ATOM 0 HA GLN A 30 5.386 25.420 18.102 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.336 28.206 17.280 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.950 27.371 16.608 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.949 27.236 18.935 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.306 28.163 19.545 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.504 28.322 17.285 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.414 30.086 17.284 1.00 0.00 H new ATOM 468 N LYS A 31 8.328 25.531 16.947 1.00 0.00 N ATOM 469 CA LYS A 31 9.228 25.024 15.920 1.00 0.00 C ATOM 470 C LYS A 31 8.785 23.631 15.490 1.00 0.00 C ATOM 471 O LYS A 31 8.850 23.273 14.315 1.00 0.00 O ATOM 472 CB LYS A 31 10.658 24.971 16.458 1.00 0.00 C ATOM 473 CG LYS A 31 11.602 24.466 15.364 1.00 0.00 C ATOM 474 CD LYS A 31 13.039 24.471 15.897 1.00 0.00 C ATOM 475 CE LYS A 31 14.031 24.472 14.728 1.00 0.00 C ATOM 476 NZ LYS A 31 14.266 23.075 14.264 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.786 25.813 17.814 1.00 0.00 H new ATOM 0 HA LYS A 31 9.198 25.692 15.059 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.968 25.961 16.791 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.706 24.313 17.326 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.318 23.459 15.058 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.527 25.100 14.481 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.201 25.349 16.523 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.206 23.596 16.526 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.641 25.076 13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.973 24.925 15.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.939 23.081 13.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.656 22.511 15.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.367 22.657 13.951 1.00 0.00 H new ATOM 490 N ASP A 32 8.324 22.852 16.459 1.00 0.00 N ATOM 491 CA ASP A 32 7.855 21.500 16.193 1.00 0.00 C ATOM 492 C ASP A 32 6.674 21.519 15.227 1.00 0.00 C ATOM 493 O ASP A 32 6.526 20.630 14.388 1.00 0.00 O ATOM 494 CB ASP A 32 7.431 20.840 17.506 1.00 0.00 C ATOM 495 CG ASP A 32 7.009 19.398 17.254 1.00 0.00 C ATOM 496 OD1 ASP A 32 6.752 19.066 16.108 1.00 0.00 O ATOM 497 OD2 ASP A 32 6.952 18.645 18.211 1.00 0.00 O1- ATOM 0 H ASP A 32 8.265 23.134 17.437 1.00 0.00 H new ATOM 0 HA ASP A 32 8.667 20.932 15.738 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.256 20.867 18.218 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.606 21.396 17.952 1.00 0.00 H new ATOM 502 N LEU A 33 5.829 22.534 15.365 1.00 0.00 N ATOM 503 CA LEU A 33 4.648 22.661 14.518 1.00 0.00 C ATOM 504 C LEU A 33 5.027 22.907 13.059 1.00 0.00 C ATOM 505 O LEU A 33 4.482 22.271 12.158 1.00 0.00 O ATOM 506 CB LEU A 33 3.778 23.810 15.027 1.00 0.00 C ATOM 507 CG LEU A 33 3.482 23.603 16.514 1.00 0.00 C ATOM 508 CD1 LEU A 33 2.426 24.607 16.971 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.962 22.182 16.747 1.00 0.00 C ATOM 0 H LEU A 33 5.939 23.279 16.053 1.00 0.00 H new ATOM 0 HA LEU A 33 4.094 21.724 14.565 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.288 24.761 14.875 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.847 23.854 14.462 1.00 0.00 H new ATOM 0 HG LEU A 33 4.399 23.751 17.084 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.217 24.458 18.030 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.795 25.620 16.813 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.512 24.460 16.396 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.753 22.040 17.807 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.048 22.031 16.173 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.715 21.462 16.426 1.00 0.00 H new ATOM 521 N VAL A 34 5.963 23.821 12.819 1.00 0.00 N ATOM 522 CA VAL A 34 6.377 24.099 11.445 1.00 0.00 C ATOM 523 C VAL A 34 7.044 22.872 10.839 1.00 0.00 C ATOM 524 O VAL A 34 6.904 22.601 9.647 1.00 0.00 O ATOM 525 CB VAL A 34 7.350 25.275 11.388 1.00 0.00 C ATOM 526 CG1 VAL A 34 8.465 25.049 12.398 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.951 25.359 9.984 1.00 0.00 C ATOM 0 H VAL A 34 6.439 24.369 13.535 1.00 0.00 H new ATOM 0 HA VAL A 34 5.483 24.354 10.876 1.00 0.00 H new ATOM 0 HB VAL A 34 6.825 26.202 11.621 1.00 0.00 H new ATOM 0 HG11 VAL A 34 9.163 25.885 12.362 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.040 24.974 13.399 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.992 24.126 12.158 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.647 26.197 9.936 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.481 24.433 9.759 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.154 25.507 9.255 1.00 0.00 H new ATOM 537 N ALA A 35 7.779 22.137 11.665 1.00 0.00 N ATOM 538 CA ALA A 35 8.470 20.946 11.189 1.00 0.00 C ATOM 539 C ALA A 35 7.474 19.951 10.599 1.00 0.00 C ATOM 540 O ALA A 35 7.700 19.399 9.523 1.00 0.00 O ATOM 541 CB ALA A 35 9.237 20.287 12.338 1.00 0.00 C ATOM 0 H ALA A 35 7.911 22.341 12.656 1.00 0.00 H new ATOM 0 HA ALA A 35 9.174 21.244 10.412 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.750 19.398 11.971 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.969 20.989 12.737 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.539 20.004 13.126 1.00 0.00 H new ATOM 689 N ASN A 45 12.204 25.865 7.588 1.00 0.00 N ATOM 690 CA ASN A 45 10.886 26.206 8.119 1.00 0.00 C ATOM 691 C ASN A 45 9.891 26.516 7.000 1.00 0.00 C ATOM 692 O ASN A 45 9.088 27.427 7.143 1.00 0.00 O ATOM 693 CB ASN A 45 10.992 27.432 9.031 1.00 0.00 C ATOM 694 CG ASN A 45 11.980 27.171 10.162 1.00 0.00 C ATOM 695 OD1 ASN A 45 12.818 28.021 10.461 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.928 26.043 10.813 1.00 0.00 N ATOM 0 HA ASN A 45 10.527 25.343 8.679 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.314 28.297 8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.012 27.671 9.444 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.583 25.862 11.573 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.232 25.341 10.562 1.00 0.00 H new ATOM 703 N GLN A 46 9.951 25.769 5.898 1.00 0.00 N ATOM 704 CA GLN A 46 9.040 25.994 4.764 1.00 0.00 C ATOM 705 C GLN A 46 9.176 27.423 4.225 1.00 0.00 C ATOM 706 O GLN A 46 8.190 28.099 3.943 1.00 0.00 O ATOM 707 CB GLN A 46 7.582 25.668 5.163 1.00 0.00 C ATOM 708 CG GLN A 46 6.784 26.928 5.535 1.00 0.00 C ATOM 709 CD GLN A 46 5.703 26.563 6.546 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.986 25.750 7.524 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 4.566 27.027 6.438 1.00 0.00 N flip ATOM 0 H GLN A 46 10.614 25.006 5.762 1.00 0.00 H new ATOM 0 HA GLN A 46 9.320 25.317 3.957 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.087 25.158 4.337 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.584 24.979 6.008 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.449 27.683 5.954 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.332 27.362 4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.346 27.663 5.672 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.846 26.775 7.115 1.00 0.00 H new ATOM 720 N LEU A 47 10.419 27.867 4.076 1.00 0.00 N ATOM 721 CA LEU A 47 10.705 29.208 3.570 1.00 0.00 C ATOM 722 C LEU A 47 9.830 29.574 2.368 1.00 0.00 C ATOM 723 O LEU A 47 9.197 30.628 2.359 1.00 0.00 O ATOM 724 CB LEU A 47 12.177 29.286 3.151 1.00 0.00 C ATOM 725 CG LEU A 47 13.028 29.807 4.317 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.456 29.253 4.224 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.083 31.333 4.254 1.00 0.00 C ATOM 0 H LEU A 47 11.249 27.317 4.299 1.00 0.00 H new ATOM 0 HA LEU A 47 10.487 29.914 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.529 28.301 2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.284 29.945 2.289 1.00 0.00 H new ATOM 0 HG LEU A 47 12.579 29.482 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.048 29.631 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.427 28.164 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.909 29.570 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.686 31.710 5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.529 31.642 3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.073 31.737 4.328 1.00 0.00 H new ATOM 739 N ASP A 48 9.834 28.730 1.338 1.00 0.00 N ATOM 740 CA ASP A 48 9.072 29.019 0.121 1.00 0.00 C ATOM 741 C ASP A 48 7.574 29.170 0.388 1.00 0.00 C ATOM 742 O ASP A 48 6.965 30.165 -0.017 1.00 0.00 O ATOM 743 CB ASP A 48 9.288 27.906 -0.906 1.00 0.00 C ATOM 744 CG ASP A 48 10.723 27.937 -1.420 1.00 0.00 C ATOM 745 OD1 ASP A 48 11.474 28.788 -0.973 1.00 0.00 O ATOM 746 OD2 ASP A 48 11.048 27.113 -2.259 1.00 0.00 O1- ATOM 0 H ASP A 48 10.349 27.850 1.319 1.00 0.00 H new ATOM 0 HA ASP A 48 9.439 29.971 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.077 26.937 -0.453 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.593 28.028 -1.737 1.00 0.00 H new ATOM 751 N LEU A 49 6.978 28.196 1.069 1.00 0.00 N ATOM 752 CA LEU A 49 5.552 28.278 1.366 1.00 0.00 C ATOM 753 C LEU A 49 5.293 29.452 2.298 1.00 0.00 C ATOM 754 O LEU A 49 4.282 30.146 2.176 1.00 0.00 O ATOM 755 CB LEU A 49 5.045 26.970 1.988 1.00 0.00 C ATOM 756 CG LEU A 49 4.989 25.880 0.917 1.00 0.00 C ATOM 757 CD1 LEU A 49 4.670 24.534 1.576 1.00 0.00 C ATOM 758 CD2 LEU A 49 3.896 26.223 -0.102 1.00 0.00 C ATOM 0 H LEU A 49 7.446 27.360 1.418 1.00 0.00 H new ATOM 0 HA LEU A 49 5.007 28.434 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.704 26.662 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.056 27.121 2.420 1.00 0.00 H new ATOM 0 HG LEU A 49 5.952 25.817 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.630 23.756 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.446 24.291 2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.707 24.596 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.855 25.447 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.933 26.285 0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.122 27.181 -0.570 1.00 0.00 H new ATOM 770 N LEU A 50 6.209 29.656 3.238 1.00 0.00 N ATOM 771 CA LEU A 50 6.071 30.745 4.198 1.00 0.00 C ATOM 772 C LEU A 50 6.000 32.082 3.463 1.00 0.00 C ATOM 773 O LEU A 50 5.173 32.932 3.794 1.00 0.00 O ATOM 774 CB LEU A 50 7.264 30.754 5.159 1.00 0.00 C ATOM 775 CG LEU A 50 6.829 31.295 6.528 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.053 31.421 7.438 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.185 32.673 6.361 1.00 0.00 C ATOM 0 H LEU A 50 7.048 29.088 3.356 1.00 0.00 H new ATOM 0 HA LEU A 50 5.153 30.596 4.767 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.663 29.745 5.267 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.065 31.371 4.752 1.00 0.00 H new ATOM 0 HG LEU A 50 6.108 30.608 6.971 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.745 31.805 8.411 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.515 30.442 7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.772 32.106 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.878 33.052 7.336 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.905 33.359 5.915 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.312 32.591 5.713 1.00 0.00 H new ATOM 789 N HIS A 51 6.878 32.268 2.474 1.00 0.00 N ATOM 790 CA HIS A 51 6.911 33.511 1.713 1.00 0.00 C ATOM 791 C HIS A 51 5.578 33.783 1.024 1.00 0.00 C ATOM 792 O HIS A 51 5.042 34.886 1.128 1.00 0.00 O ATOM 793 CB HIS A 51 8.035 33.440 0.680 1.00 0.00 C ATOM 794 CG HIS A 51 9.348 33.287 1.397 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.651 34.024 2.527 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.441 32.483 1.170 1.00 0.00 C ATOM 797 CE1 HIS A 51 10.878 33.657 2.938 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.406 32.721 2.146 1.00 0.00 N ATOM 0 H HIS A 51 7.570 31.576 2.186 1.00 0.00 H new ATOM 0 HA HIS A 51 7.095 34.333 2.404 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.874 32.599 0.005 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.042 34.342 0.069 1.00 0.00 H new ATOM 0 HD1 HIS A 51 9.052 34.721 2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.536 31.776 0.359 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.375 34.069 3.803 1.00 0.00 H new ATOM 807 N LYS A 52 5.037 32.788 0.321 1.00 0.00 N ATOM 808 CA LYS A 52 3.760 32.980 -0.364 1.00 0.00 C ATOM 809 C LYS A 52 2.692 33.344 0.656 1.00 0.00 C ATOM 810 O LYS A 52 1.922 34.286 0.466 1.00 0.00 O ATOM 811 CB LYS A 52 3.351 31.698 -1.091 1.00 0.00 C ATOM 812 CG LYS A 52 4.390 31.368 -2.164 1.00 0.00 C ATOM 813 CD LYS A 52 3.985 30.087 -2.895 1.00 0.00 C ATOM 814 CE LYS A 52 5.148 29.611 -3.766 1.00 0.00 C ATOM 815 NZ LYS A 52 5.376 28.160 -3.521 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.451 31.862 0.212 1.00 0.00 H new ATOM 0 HA LYS A 52 3.866 33.783 -1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.271 30.874 -0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.369 31.823 -1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.470 32.193 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.372 31.243 -1.707 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.715 29.314 -2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.105 30.270 -3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.925 29.784 -4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.049 30.178 -3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.166 27.828 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.605 28.009 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.516 27.628 -3.764 1.00 0.00 H new ATOM 829 N TRP A 53 2.666 32.587 1.744 1.00 0.00 N ATOM 830 CA TRP A 53 1.711 32.813 2.818 1.00 0.00 C ATOM 831 C TRP A 53 1.852 34.231 3.370 1.00 0.00 C ATOM 832 O TRP A 53 0.879 34.979 3.460 1.00 0.00 O ATOM 833 CB TRP A 53 1.994 31.792 3.921 1.00 0.00 C ATOM 834 CG TRP A 53 0.912 31.793 4.948 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.215 31.045 4.895 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.849 32.543 6.193 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.959 31.281 6.034 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.347 32.199 6.864 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.707 33.475 6.805 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.684 32.758 8.093 1.00 0.00 C ATOM 841 CZ3 TRP A 53 1.371 34.042 8.047 1.00 0.00 C ATOM 842 CH2 TRP A 53 0.176 33.683 8.689 1.00 0.00 C ATOM 0 H TRP A 53 3.301 31.805 1.906 1.00 0.00 H new ATOM 0 HA TRP A 53 0.694 32.699 2.443 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.084 30.797 3.485 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.949 32.020 4.395 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.487 30.374 4.094 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.852 30.832 6.237 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.629 33.757 6.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.605 32.478 8.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.036 34.757 8.509 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.078 34.121 9.643 1.00 0.00 H new ATOM 853 N LEU A 54 3.073 34.579 3.754 1.00 0.00 N ATOM 854 CA LEU A 54 3.341 35.898 4.317 1.00 0.00 C ATOM 855 C LEU A 54 2.946 37.002 3.342 1.00 0.00 C ATOM 856 O LEU A 54 2.224 37.932 3.704 1.00 0.00 O ATOM 857 CB LEU A 54 4.833 36.031 4.640 1.00 0.00 C ATOM 858 CG LEU A 54 5.080 37.285 5.482 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.688 37.009 6.934 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.568 37.649 5.429 1.00 0.00 C ATOM 0 H LEU A 54 3.890 33.972 3.687 1.00 0.00 H new ATOM 0 HA LEU A 54 2.748 36.002 5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.176 35.148 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.409 36.084 3.716 1.00 0.00 H new ATOM 0 HG LEU A 54 4.483 38.108 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.864 37.902 7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.632 36.742 6.981 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.288 36.186 7.323 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.746 38.542 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.159 36.823 5.825 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.859 37.841 4.396 1.00 0.00 H new ATOM 872 N ASP A 55 3.446 36.905 2.114 1.00 0.00 N ATOM 873 CA ASP A 55 3.168 37.910 1.091 1.00 0.00 C ATOM 874 C ASP A 55 1.669 38.040 0.804 1.00 0.00 C ATOM 875 O ASP A 55 1.149 39.149 0.686 1.00 0.00 O ATOM 876 CB ASP A 55 3.922 37.547 -0.190 1.00 0.00 C ATOM 877 CG ASP A 55 5.423 37.505 0.091 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.839 38.103 1.069 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 6.132 36.870 -0.673 1.00 0.00 O ATOM 0 H ASP A 55 4.046 36.141 1.802 1.00 0.00 H new ATOM 0 HA ASP A 55 3.508 38.876 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.584 36.579 -0.560 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.708 38.279 -0.969 1.00 0.00 H new ATOM 884 N ARG A 56 0.975 36.911 0.696 1.00 0.00 N ATOM 885 CA ARG A 56 -0.458 36.931 0.428 1.00 0.00 C ATOM 886 C ARG A 56 -1.209 37.622 1.565 1.00 0.00 C ATOM 887 O ARG A 56 -2.264 38.221 1.354 1.00 0.00 O ATOM 888 CB ARG A 56 -0.966 35.495 0.252 1.00 0.00 C ATOM 889 CG ARG A 56 -2.465 35.505 -0.052 1.00 0.00 C ATOM 890 CD ARG A 56 -2.961 34.064 -0.212 1.00 0.00 C ATOM 891 NE ARG A 56 -2.915 33.376 1.072 1.00 0.00 N ATOM 892 CZ ARG A 56 -3.261 32.097 1.189 1.00 0.00 C ATOM 893 NH1 ARG A 56 -3.636 31.416 0.138 1.00 0.00 N ATOM 894 NH2 ARG A 56 -3.229 31.522 2.359 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.378 35.979 0.789 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.638 37.492 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.425 35.006 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.774 34.919 1.157 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.007 36.001 0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.659 36.071 -0.963 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.980 34.062 -0.599 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.343 33.537 -0.939 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.610 33.887 1.900 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.664 31.865 -0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.900 30.435 0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.939 32.053 3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.494 30.541 2.453 1.00 0.00 H new ATOM 908 N HIS A 57 -0.667 37.511 2.774 1.00 0.00 N ATOM 909 CA HIS A 57 -1.300 38.110 3.947 1.00 0.00 C ATOM 910 C HIS A 57 -0.509 39.313 4.474 1.00 0.00 C ATOM 911 O HIS A 57 -0.701 39.738 5.611 1.00 0.00 O ATOM 912 CB HIS A 57 -1.441 37.045 5.039 1.00 0.00 C ATOM 913 CG HIS A 57 -2.343 35.950 4.535 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.666 36.185 4.196 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.128 34.612 4.295 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.192 35.020 3.775 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.298 34.029 3.813 1.00 0.00 N ATOM 0 H HIS A 57 0.203 37.016 2.968 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.284 38.478 3.656 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.463 36.639 5.299 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.854 37.487 5.946 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -4.153 37.079 4.255 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.195 34.093 4.456 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.214 34.901 3.446 1.00 0.00 H new ATOM 926 N ARG A 58 0.371 39.863 3.639 1.00 0.00 N ATOM 927 CA ARG A 58 1.174 41.027 4.031 1.00 0.00 C ATOM 928 C ARG A 58 0.293 42.198 4.484 1.00 0.00 C ATOM 929 O ARG A 58 0.682 42.975 5.355 1.00 0.00 O ATOM 930 CB ARG A 58 2.053 41.475 2.859 1.00 0.00 C ATOM 931 CG ARG A 58 1.166 41.883 1.685 1.00 0.00 C ATOM 932 CD ARG A 58 2.012 41.982 0.414 1.00 0.00 C ATOM 933 NE ARG A 58 3.195 42.807 0.645 1.00 0.00 N ATOM 934 CZ ARG A 58 4.072 43.032 -0.329 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.879 42.511 -1.509 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.122 43.776 -0.113 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.548 39.526 2.692 1.00 0.00 H new ATOM 0 HA ARG A 58 1.799 40.727 4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.682 42.312 3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.720 40.666 2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.369 41.153 1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.689 42.841 1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.315 40.985 0.094 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.417 42.409 -0.393 1.00 0.00 H new ATOM 0 HE ARG A 58 3.351 43.216 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.057 41.933 -1.683 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.550 42.682 -2.258 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.274 44.189 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.791 43.945 -0.864 1.00 0.00 H new ATOM 950 N ASP A 59 -0.883 42.323 3.873 1.00 0.00 N ATOM 951 CA ASP A 59 -1.799 43.417 4.203 1.00 0.00 C ATOM 952 C ASP A 59 -2.128 43.421 5.694 1.00 0.00 C ATOM 953 O ASP A 59 -2.431 44.464 6.274 1.00 0.00 O ATOM 954 CB ASP A 59 -3.093 43.303 3.384 1.00 0.00 C ATOM 955 CG ASP A 59 -3.939 42.121 3.853 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.687 41.621 4.934 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -4.837 41.740 3.122 1.00 0.00 O ATOM 0 H ASP A 59 -1.224 41.687 3.152 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.303 44.355 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.668 44.225 3.476 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.849 43.184 2.328 1.00 0.00 H new ATOM 962 N MET A 60 -2.064 42.248 6.299 1.00 0.00 N ATOM 963 CA MET A 60 -2.355 42.097 7.715 1.00 0.00 C ATOM 964 C MET A 60 -1.413 42.949 8.565 1.00 0.00 C ATOM 965 O MET A 60 -1.783 43.406 9.650 1.00 0.00 O ATOM 966 CB MET A 60 -2.204 40.630 8.097 1.00 0.00 C ATOM 967 CG MET A 60 -0.716 40.305 8.225 1.00 0.00 C ATOM 968 SD MET A 60 -0.455 38.525 8.041 1.00 0.00 S ATOM 969 CE MET A 60 1.352 38.592 7.964 1.00 0.00 C ATOM 0 H MET A 60 -1.811 41.379 5.828 1.00 0.00 H new ATOM 0 HA MET A 60 -3.375 42.433 7.901 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.716 40.430 9.038 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.666 39.994 7.342 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.151 40.844 7.465 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.345 40.637 9.194 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.759 37.590 8.098 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.661 38.982 6.994 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.726 39.244 8.753 1.00 0.00 H new ATOM 979 N CYS A 61 -0.200 43.157 8.070 1.00 0.00 N ATOM 980 CA CYS A 61 0.783 43.950 8.798 1.00 0.00 C ATOM 981 C CYS A 61 0.337 45.407 8.896 1.00 0.00 C ATOM 982 O CYS A 61 0.637 46.090 9.875 1.00 0.00 O ATOM 983 CB CYS A 61 2.139 43.872 8.098 1.00 0.00 C ATOM 984 SG CYS A 61 2.056 44.761 6.524 1.00 0.00 S ATOM 0 H CYS A 61 0.126 42.791 7.175 1.00 0.00 H new ATOM 0 HA CYS A 61 0.872 43.545 9.806 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.913 44.304 8.732 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.412 42.831 7.926 1.00 0.00 H new ATOM 0 HG CYS A 61 1.376 44.061 5.665 1.00 0.00 H new ATOM 990 N GLU A 62 -0.392 45.872 7.891 1.00 0.00 N ATOM 991 CA GLU A 62 -0.875 47.246 7.899 1.00 0.00 C ATOM 992 C GLU A 62 -1.959 47.393 8.959 1.00 0.00 C ATOM 993 O GLU A 62 -2.328 48.506 9.339 1.00 0.00 O ATOM 994 CB GLU A 62 -1.448 47.613 6.526 1.00 0.00 C ATOM 995 CG GLU A 62 -0.348 47.536 5.463 1.00 0.00 C ATOM 996 CD GLU A 62 -0.928 47.884 4.095 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.122 47.703 3.915 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 -0.167 48.314 3.243 1.00 0.00 O ATOM 0 H GLU A 62 -0.659 45.328 7.071 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.045 47.915 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.262 46.935 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.868 48.618 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.460 48.224 5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.081 46.534 5.442 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.470 46.259 9.430 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.516 46.261 10.443 1.00 0.00 C ATOM 1007 C LYS A 63 -2.921 46.263 11.854 1.00 0.00 C ATOM 1008 O LYS A 63 -2.917 47.285 12.541 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.384 45.017 10.269 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.730 44.845 8.790 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.418 46.110 8.275 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.026 45.842 6.896 1.00 0.00 C ATOM 1013 NZ LYS A 63 -4.960 45.363 5.970 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.177 45.331 9.126 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.113 47.165 10.319 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.856 44.137 10.635 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.296 45.110 10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.825 44.651 8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.384 43.983 8.657 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.196 46.422 8.972 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.699 46.927 8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.817 45.097 6.974 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.482 46.751 6.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.947 45.959 5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.037 45.419 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.152 44.377 5.701 1.00 0.00 H new ATOM 1027 N TRP A 64 -2.417 45.106 12.266 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.819 44.984 13.595 1.00 0.00 C ATOM 1029 C TRP A 64 -0.366 45.436 13.586 1.00 0.00 C ATOM 1030 O TRP A 64 0.373 45.166 14.533 1.00 0.00 O ATOM 1031 CB TRP A 64 -1.919 43.556 14.131 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.582 42.573 13.063 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.548 42.685 12.203 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.253 41.322 12.743 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.544 41.585 11.367 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.577 40.715 11.662 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.374 40.666 13.281 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -1.997 39.496 11.130 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.802 39.437 12.748 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.115 38.855 11.675 1.00 0.00 C ATOM 0 H TRP A 64 -2.408 44.250 11.711 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.385 45.637 14.260 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.242 43.430 14.976 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.928 43.370 14.500 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.160 43.500 12.173 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.138 41.433 10.623 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.909 41.108 14.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -1.463 39.050 10.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.664 38.940 13.168 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.448 37.912 11.268 1.00 0.00 H new ATOM 1051 N LYS A 65 0.032 46.122 12.512 1.00 0.00 N ATOM 1052 CA LYS A 65 1.402 46.614 12.381 1.00 0.00 C ATOM 1053 C LYS A 65 2.146 46.526 13.708 1.00 0.00 C ATOM 1054 O LYS A 65 2.246 47.506 14.447 1.00 0.00 O ATOM 1055 CB LYS A 65 1.390 48.062 11.887 1.00 0.00 C ATOM 1056 CG LYS A 65 0.347 48.865 12.667 1.00 0.00 C ATOM 1057 CD LYS A 65 0.292 50.292 12.122 1.00 0.00 C ATOM 1058 CE LYS A 65 -0.565 51.158 13.046 1.00 0.00 C ATOM 1059 NZ LYS A 65 -2.007 50.927 12.749 1.00 0.00 N1+ ATOM 0 H LYS A 65 -0.574 46.348 11.724 1.00 0.00 H new ATOM 0 HA LYS A 65 1.921 45.987 11.656 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.376 48.508 12.015 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.163 48.091 10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.631 48.393 12.579 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.601 48.878 13.727 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.298 50.704 12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.125 50.292 11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.354 50.916 14.088 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.318 52.211 12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.590 51.516 13.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.202 51.179 11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.237 49.924 12.903 1.00 0.00 H new ATOM 1073 N SER A 66 2.655 45.334 13.999 1.00 0.00 N ATOM 1074 CA SER A 66 3.383 45.096 15.238 1.00 0.00 C ATOM 1075 C SER A 66 4.376 43.946 15.062 1.00 0.00 C ATOM 1076 O SER A 66 4.459 43.353 13.986 1.00 0.00 O ATOM 1077 CB SER A 66 2.389 44.769 16.348 1.00 0.00 C ATOM 1078 OG SER A 66 1.495 43.766 15.883 1.00 0.00 O ATOM 0 H SER A 66 2.576 44.518 13.393 1.00 0.00 H new ATOM 0 HA SER A 66 3.944 45.992 15.504 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.916 44.422 17.236 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.836 45.664 16.635 1.00 0.00 H new ATOM 0 HG SER A 66 0.828 44.172 15.291 1.00 0.00 H new ATOM 1084 N LYS A 67 5.146 43.647 16.113 1.00 0.00 N ATOM 1085 CA LYS A 67 6.141 42.576 16.031 1.00 0.00 C ATOM 1086 C LYS A 67 5.736 41.332 16.828 1.00 0.00 C ATOM 1087 O LYS A 67 5.319 40.324 16.255 1.00 0.00 O ATOM 1088 CB LYS A 67 7.493 43.077 16.541 1.00 0.00 C ATOM 1089 CG LYS A 67 8.540 41.986 16.313 1.00 0.00 C ATOM 1090 CD LYS A 67 9.909 42.473 16.786 1.00 0.00 C ATOM 1091 CE LYS A 67 11.006 41.615 16.150 1.00 0.00 C ATOM 1092 NZ LYS A 67 12.286 42.375 16.161 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.101 44.122 17.014 1.00 0.00 H new ATOM 0 HA LYS A 67 6.210 42.291 14.981 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.779 43.990 16.018 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.429 43.323 17.601 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.259 41.082 16.853 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.582 41.726 15.255 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.048 43.519 16.514 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.972 42.415 17.873 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.119 40.681 16.700 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.733 41.353 15.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.036 41.798 15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.172 43.255 15.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.545 42.604 17.142 1.00 0.00 H new ATOM 1106 N GLU A 68 5.874 41.404 18.149 1.00 0.00 N ATOM 1107 CA GLU A 68 5.531 40.267 18.999 1.00 0.00 C ATOM 1108 C GLU A 68 4.046 39.949 18.891 1.00 0.00 C ATOM 1109 O GLU A 68 3.639 38.785 18.934 1.00 0.00 O ATOM 1110 CB GLU A 68 5.898 40.551 20.461 1.00 0.00 C ATOM 1111 CG GLU A 68 5.617 39.301 21.302 1.00 0.00 C ATOM 1112 CD GLU A 68 5.827 39.603 22.784 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.424 40.625 23.088 1.00 0.00 O ATOM 1114 OE2 GLU A 68 5.380 38.809 23.594 1.00 0.00 O1- ATOM 0 H GLU A 68 6.216 42.225 18.649 1.00 0.00 H new ATOM 0 HA GLU A 68 6.103 39.405 18.656 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.950 40.827 20.538 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.319 41.395 20.837 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.594 38.963 21.134 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.276 38.490 20.992 1.00 0.00 H new ATOM 1121 N ASP A 69 3.237 40.988 18.741 1.00 0.00 N ATOM 1122 CA ASP A 69 1.802 40.795 18.625 1.00 0.00 C ATOM 1123 C ASP A 69 1.479 39.944 17.407 1.00 0.00 C ATOM 1124 O ASP A 69 0.692 39.001 17.489 1.00 0.00 O ATOM 1125 CB ASP A 69 1.103 42.146 18.503 1.00 0.00 C ATOM 1126 CG ASP A 69 1.195 42.911 19.816 1.00 0.00 C ATOM 1127 OD1 ASP A 69 1.692 42.345 20.775 1.00 0.00 O1- ATOM 1128 OD2 ASP A 69 0.771 44.056 19.842 1.00 0.00 O ATOM 0 H ASP A 69 3.545 41.959 18.697 1.00 0.00 H new ATOM 0 HA ASP A 69 1.448 40.283 19.520 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.560 42.728 17.703 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.057 41.999 18.233 1.00 0.00 H new ATOM 1133 N ILE A 70 2.093 40.269 16.276 1.00 0.00 N ATOM 1134 CA ILE A 70 1.844 39.504 15.064 1.00 0.00 C ATOM 1135 C ILE A 70 2.222 38.048 15.287 1.00 0.00 C ATOM 1136 O ILE A 70 1.537 37.144 14.819 1.00 0.00 O ATOM 1137 CB ILE A 70 2.630 40.067 13.879 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.259 41.539 13.675 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.264 39.273 12.624 1.00 0.00 C ATOM 1140 CD1 ILE A 70 2.920 42.063 12.401 1.00 0.00 C ATOM 0 H ILE A 70 2.753 41.040 16.174 1.00 0.00 H new ATOM 0 HA ILE A 70 0.782 39.576 14.831 1.00 0.00 H new ATOM 0 HB ILE A 70 3.700 39.988 14.071 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.176 41.645 13.605 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.582 42.128 14.533 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.818 39.665 11.771 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.518 38.223 12.771 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.194 39.364 12.435 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.655 43.110 12.258 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.003 41.972 12.489 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.575 41.481 11.546 1.00 0.00 H new ATOM 1152 N LEU A 71 3.309 37.825 16.016 1.00 0.00 N ATOM 1153 CA LEU A 71 3.745 36.464 16.296 1.00 0.00 C ATOM 1154 C LEU A 71 2.618 35.680 16.948 1.00 0.00 C ATOM 1155 O LEU A 71 2.376 34.521 16.611 1.00 0.00 O ATOM 1156 CB LEU A 71 4.948 36.470 17.239 1.00 0.00 C ATOM 1157 CG LEU A 71 6.147 37.153 16.574 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.394 36.928 17.429 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.381 36.561 15.182 1.00 0.00 C ATOM 0 H LEU A 71 3.896 38.556 16.418 1.00 0.00 H new ATOM 0 HA LEU A 71 4.026 35.997 15.352 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.692 36.990 18.162 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.209 35.447 17.511 1.00 0.00 H new ATOM 0 HG LEU A 71 5.945 38.220 16.482 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.250 37.413 16.959 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.236 37.352 18.421 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.586 35.859 17.518 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.235 37.052 14.717 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.580 35.493 15.270 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.494 36.715 14.567 1.00 0.00 H new ATOM 1171 N HIS A 72 1.912 36.323 17.868 1.00 0.00 N ATOM 1172 CA HIS A 72 0.797 35.664 18.538 1.00 0.00 C ATOM 1173 C HIS A 72 -0.261 35.263 17.515 1.00 0.00 C ATOM 1174 O HIS A 72 -0.751 34.134 17.520 1.00 0.00 O ATOM 1175 CB HIS A 72 0.159 36.592 19.573 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.908 35.833 20.314 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -2.242 35.909 19.951 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -0.857 34.968 21.382 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -2.935 35.110 20.784 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -2.141 34.514 21.675 1.00 0.00 N ATOM 0 H HIS A 72 2.086 37.283 18.164 1.00 0.00 H new ATOM 0 HA HIS A 72 1.182 34.778 19.043 1.00 0.00 H new ATOM 0 HB2 HIS A 72 0.914 36.957 20.269 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.271 37.465 19.082 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.040 34.684 21.912 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -4.005 34.969 20.737 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.415 33.865 22.413 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.600 36.197 16.632 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.596 35.932 15.597 1.00 0.00 C ATOM 1191 C LYS A 73 -1.114 34.822 14.668 1.00 0.00 C ATOM 1192 O LYS A 73 -1.823 33.842 14.441 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.867 37.209 14.796 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.812 38.128 15.583 1.00 0.00 C ATOM 1195 CD LYS A 73 -2.410 38.157 17.061 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.194 39.251 17.783 1.00 0.00 C ATOM 1197 NZ LYS A 73 -4.599 38.800 17.985 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.204 37.137 16.611 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.521 35.608 16.074 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.930 37.726 14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.309 36.957 13.832 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -2.779 39.136 15.170 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.839 37.776 15.484 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.608 37.189 17.521 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.340 38.341 17.154 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.730 39.473 18.744 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.176 40.172 17.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.126 39.529 18.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.049 38.642 17.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.604 37.914 18.529 1.00 0.00 H new ATOM 1211 N LEU A 74 0.092 34.979 14.134 1.00 0.00 N ATOM 1212 CA LEU A 74 0.645 33.971 13.240 1.00 0.00 C ATOM 1213 C LEU A 74 0.711 32.619 13.942 1.00 0.00 C ATOM 1214 O LEU A 74 0.480 31.582 13.323 1.00 0.00 O ATOM 1215 CB LEU A 74 2.041 34.377 12.764 1.00 0.00 C ATOM 1216 CG LEU A 74 1.942 35.348 11.575 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.841 36.388 11.811 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.282 36.065 11.389 1.00 0.00 C ATOM 0 H LEU A 74 0.697 35.783 14.302 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.010 33.890 12.372 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.588 34.847 13.581 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.604 33.491 12.472 1.00 0.00 H new ATOM 0 HG LEU A 74 1.696 34.775 10.681 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.790 37.064 10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.117 35.883 11.932 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.066 36.958 12.712 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.213 36.753 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.525 36.622 12.294 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.064 35.331 11.194 1.00 0.00 H new ATOM 1230 N ASN A 75 1.012 32.636 15.238 1.00 0.00 N ATOM 1231 CA ASN A 75 1.086 31.399 16.008 1.00 0.00 C ATOM 1232 C ASN A 75 -0.240 30.642 15.912 1.00 0.00 C ATOM 1233 O ASN A 75 -0.271 29.440 15.624 1.00 0.00 O ATOM 1234 CB ASN A 75 1.381 31.730 17.475 1.00 0.00 C ATOM 1235 CG ASN A 75 2.802 32.263 17.617 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.611 32.133 16.699 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.155 32.857 18.724 1.00 0.00 N ATOM 0 H ASN A 75 1.207 33.483 15.772 1.00 0.00 H new ATOM 0 HA ASN A 75 1.883 30.774 15.605 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.669 32.470 17.839 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.256 30.838 18.089 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.104 33.215 18.830 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.482 32.963 19.483 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.333 31.372 16.139 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.671 30.793 16.071 1.00 0.00 C ATOM 1246 C GLU A 76 -3.004 30.340 14.655 1.00 0.00 C ATOM 1247 O GLU A 76 -3.622 29.294 14.454 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.697 31.825 16.536 1.00 0.00 C ATOM 1249 CG GLU A 76 -5.106 31.272 16.332 1.00 0.00 C ATOM 1250 CD GLU A 76 -6.142 32.283 16.810 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.743 33.352 17.237 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -7.320 31.968 16.749 1.00 0.00 O ATOM 0 H GLU A 76 -1.316 32.365 16.371 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.701 29.920 16.723 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.537 32.064 17.588 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.575 32.752 15.977 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.267 31.046 15.278 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.220 30.336 16.880 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.586 31.128 13.674 1.00 0.00 N ATOM 1260 CA GLN A 77 -2.844 30.788 12.282 1.00 0.00 C ATOM 1261 C GLN A 77 -2.042 29.560 11.873 1.00 0.00 C ATOM 1262 O GLN A 77 -2.537 28.686 11.164 1.00 0.00 O ATOM 1263 CB GLN A 77 -2.457 31.958 11.384 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.428 33.117 11.598 1.00 0.00 C ATOM 1265 CD GLN A 77 -3.004 34.311 10.753 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -2.631 34.153 9.591 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -3.038 35.503 11.276 1.00 0.00 N ATOM 0 H GLN A 77 -2.072 31.998 13.814 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.907 30.572 12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.439 32.278 11.607 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.472 31.647 10.339 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.439 32.810 11.329 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.449 33.395 12.652 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.348 35.628 12.240 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.755 36.311 10.722 1.00 0.00 H new ATOM 1276 N TRP A 78 -0.794 29.519 12.316 1.00 0.00 N ATOM 1277 CA TRP A 78 0.088 28.410 11.985 1.00 0.00 C ATOM 1278 C TRP A 78 -0.543 27.081 12.380 1.00 0.00 C ATOM 1279 O TRP A 78 -0.511 26.116 11.616 1.00 0.00 O ATOM 1280 CB TRP A 78 1.416 28.570 12.730 1.00 0.00 C ATOM 1281 CG TRP A 78 2.519 27.949 11.934 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.730 26.620 11.787 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.568 28.616 11.176 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.843 26.432 10.984 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.391 27.633 10.583 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.879 29.968 10.948 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.487 27.978 9.790 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.981 30.321 10.151 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.783 29.327 9.574 1.00 0.00 C ATOM 0 H TRP A 78 -0.371 30.238 12.903 1.00 0.00 H new ATOM 0 HA TRP A 78 0.257 28.416 10.908 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.625 29.627 12.897 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.353 28.099 13.711 1.00 0.00 H new ATOM 0 HD1 TRP A 78 2.130 25.836 12.224 1.00 0.00 H new ATOM 0 HE1 TRP A 78 4.212 25.518 10.721 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.267 30.741 11.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 6.102 27.208 9.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.211 31.363 9.982 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.629 29.603 8.963 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.106 27.031 13.581 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.727 25.804 14.065 1.00 0.00 C ATOM 1302 C ASN A 79 -3.023 25.512 13.315 1.00 0.00 C ATOM 1303 O ASN A 79 -3.348 24.358 13.037 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.010 25.934 15.557 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.718 26.259 16.298 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.383 26.452 15.620 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -0.711 26.350 17.524 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.146 27.816 14.231 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.041 24.975 13.890 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.747 26.718 15.730 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.436 25.006 15.939 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.571 26.199 18.052 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.155 26.576 18.014 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.760 26.567 12.998 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.024 26.426 12.290 1.00 0.00 C ATOM 1316 C LYS A 80 -4.829 25.761 10.930 1.00 0.00 C ATOM 1317 O LYS A 80 -5.600 24.884 10.542 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.648 27.802 12.094 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.997 27.653 11.402 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.609 29.038 11.173 1.00 0.00 C ATOM 1321 CE LYS A 80 -6.796 29.785 10.115 1.00 0.00 C ATOM 1322 NZ LYS A 80 -7.714 30.534 9.211 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.505 27.529 13.220 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.681 25.794 12.887 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.774 28.297 13.057 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.988 28.431 11.496 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.874 27.136 10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.665 27.045 12.012 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.645 28.941 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.618 29.602 12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.102 30.474 10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.197 29.080 9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.157 31.040 8.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.359 29.867 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.267 31.218 9.766 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.797 26.183 10.209 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.519 25.618 8.894 1.00 0.00 C ATOM 1338 C ASP A 81 -2.263 24.753 8.936 1.00 0.00 C ATOM 1339 O ASP A 81 -2.402 23.550 9.074 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.334 26.736 7.865 1.00 0.00 C ATOM 1341 CG ASP A 81 -4.692 27.254 7.399 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -5.687 26.850 7.974 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -4.714 28.057 6.478 1.00 0.00 O ATOM 1344 OXT ASP A 81 -1.182 25.308 8.827 1.00 0.00 O ATOM 0 H ASP A 81 -3.144 26.907 10.509 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.367 24.998 8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.757 27.551 8.302 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.766 26.365 7.012 1.00 0.00 H new