USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=17 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+ 161:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 HIS :FLIP no HD1:sc= -2.82! C(o=-4.7!,f=-2.8!) USER MOD Set 2.1: A 28 ASN :FLIP amide:sc= -9.66! C(o=-19!,f=-15!) USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= -0.45 F(o=-19,f=-15) USER MOD Set 2.3: A 75 ASN :FLIP amide:sc= -4.64! C(o=-17!,f=-15!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 170:sc= -0.884! USER MOD Single : A 15 ASN :FLIP amide:sc= -1.44 F(o=-5.1!,f=-1.4) USER MOD Single : A 16 GLN : amide:sc= -10.7! C(o=-11!,f=-17!) USER MOD Single : A 19 GLN : amide:sc= -6.88! C(o=-6.9!,f=-15!) USER MOD Single : A 23 SER OG : rot 66:sc= 1.14 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -4.83! C(o=-4.8!,f=-4.8!) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.296 F(o=-1.7!,f=-0.3) USER MOD Single : A 52 LYS NZ :NH3+ 137:sc= -0.788 (180deg=-1.84!) USER MOD Single : A 57 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0.016) USER MOD Single : A 60 MET CE :methyl -125:sc= -0.0877 (180deg=-3.7!) USER MOD Single : A 61 CYS SG : rot -85:sc= -0.468 USER MOD Single : A 63 LYS NZ :NH3+ 152:sc= -0.111 (180deg=-1.28) USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= -0.322 (180deg=-1.41!) USER MOD Single : A 66 SER OG : rot -146:sc= -2.93! USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= -0.663 (180deg=-1.39) USER MOD Single : A 72 HIS : no HD1:sc= -0.0128 K(o=-0.013,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= -1.52! (180deg=-1.93!) USER MOD Single : A 77 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.34) USER MOD Single : A 79 ASN : amide:sc= -0.792 X(o=-0.79,f=-1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.765 50.817 0.877 1.00 0.00 N ATOM 93 CA LYS A 8 3.890 49.513 1.517 1.00 0.00 C ATOM 94 C LYS A 8 5.335 49.276 1.939 1.00 0.00 C ATOM 95 O LYS A 8 6.199 50.124 1.725 1.00 0.00 O ATOM 96 CB LYS A 8 3.449 48.407 0.552 1.00 0.00 C ATOM 97 CG LYS A 8 1.941 48.507 0.310 1.00 0.00 C ATOM 98 CD LYS A 8 1.480 47.346 -0.574 1.00 0.00 C ATOM 99 CE LYS A 8 -0.021 47.475 -0.843 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.441 46.449 -1.839 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.250 49.494 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.986 48.499 -0.392 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.697 47.430 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.409 48.486 1.261 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.702 49.457 -0.168 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.031 47.350 -1.515 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.692 46.396 -0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.579 47.346 0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.249 48.473 -1.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.461 46.538 -2.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.082 46.592 -2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.238 45.500 -1.466 1.00 0.00 H new ATOM 114 N PHE A 9 5.593 48.118 2.537 1.00 0.00 N ATOM 115 CA PHE A 9 6.944 47.791 2.976 1.00 0.00 C ATOM 116 C PHE A 9 7.816 47.444 1.771 1.00 0.00 C ATOM 117 O PHE A 9 7.316 46.960 0.755 1.00 0.00 O ATOM 118 CB PHE A 9 6.906 46.609 3.950 1.00 0.00 C ATOM 119 CG PHE A 9 6.380 47.071 5.291 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.264 47.593 6.243 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.012 46.976 5.586 1.00 0.00 C ATOM 122 CE1 PHE A 9 6.784 48.018 7.486 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.533 47.403 6.830 1.00 0.00 C ATOM 124 CZ PHE A 9 5.419 47.925 7.779 1.00 0.00 C ATOM 0 H PHE A 9 4.895 47.399 2.727 1.00 0.00 H new ATOM 0 HA PHE A 9 7.370 48.657 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.271 45.818 3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 9 7.905 46.188 4.066 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.318 47.668 6.017 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.328 46.573 4.853 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.467 48.418 8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.480 47.330 7.057 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.049 48.256 8.738 1.00 0.00 H new ATOM 134 N THR A 10 9.118 47.700 1.883 1.00 0.00 N ATOM 135 CA THR A 10 10.036 47.413 0.785 1.00 0.00 C ATOM 136 C THR A 10 10.495 45.965 0.833 1.00 0.00 C ATOM 137 O THR A 10 10.410 45.313 1.872 1.00 0.00 O ATOM 138 CB THR A 10 11.265 48.315 0.873 1.00 0.00 C ATOM 139 OG1 THR A 10 12.061 47.907 1.973 1.00 0.00 O ATOM 140 CG2 THR A 10 10.831 49.771 1.057 1.00 0.00 C ATOM 0 H THR A 10 9.556 48.101 2.712 1.00 0.00 H new ATOM 0 HA THR A 10 9.505 47.597 -0.149 1.00 0.00 H new ATOM 0 HB THR A 10 11.843 48.235 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.924 48.370 1.942 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.713 50.408 1.119 1.00 0.00 H new ATOM 0 HG22 THR A 10 10.220 50.079 0.208 1.00 0.00 H new ATOM 0 HG23 THR A 10 10.251 49.864 1.975 1.00 0.00 H new ATOM 148 N ASP A 11 10.990 45.465 -0.295 1.00 0.00 N ATOM 149 CA ASP A 11 11.463 44.091 -0.354 1.00 0.00 C ATOM 150 C ASP A 11 12.511 43.846 0.726 1.00 0.00 C ATOM 151 O ASP A 11 12.521 42.792 1.362 1.00 0.00 O ATOM 152 CB ASP A 11 12.074 43.804 -1.726 1.00 0.00 C ATOM 153 CG ASP A 11 10.989 43.809 -2.799 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.850 44.081 -2.459 1.00 0.00 O1- ATOM 155 OD2 ASP A 11 11.316 43.551 -3.945 1.00 0.00 O ATOM 0 H ASP A 11 11.073 45.985 -1.169 1.00 0.00 H new ATOM 0 HA ASP A 11 10.615 43.427 -0.189 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.830 44.554 -1.959 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.578 42.837 -1.713 1.00 0.00 H new ATOM 160 N ASP A 12 13.392 44.822 0.929 1.00 0.00 N ATOM 161 CA ASP A 12 14.439 44.691 1.939 1.00 0.00 C ATOM 162 C ASP A 12 13.837 44.664 3.339 1.00 0.00 C ATOM 163 O ASP A 12 14.198 43.827 4.169 1.00 0.00 O ATOM 164 CB ASP A 12 15.426 45.853 1.825 1.00 0.00 C ATOM 165 CG ASP A 12 16.196 45.748 0.514 1.00 0.00 C ATOM 166 OD1 ASP A 12 16.029 44.751 -0.170 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.938 46.669 0.210 1.00 0.00 O ATOM 0 H ASP A 12 13.403 45.703 0.414 1.00 0.00 H new ATOM 0 HA ASP A 12 14.965 43.752 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.892 46.802 1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 12 16.119 45.838 2.667 1.00 0.00 H new ATOM 172 N GLU A 13 12.905 45.574 3.590 1.00 0.00 N ATOM 173 CA GLU A 13 12.251 45.634 4.888 1.00 0.00 C ATOM 174 C GLU A 13 11.465 44.355 5.117 1.00 0.00 C ATOM 175 O GLU A 13 11.432 43.808 6.218 1.00 0.00 O ATOM 176 CB GLU A 13 11.303 46.829 4.924 1.00 0.00 C ATOM 177 CG GLU A 13 12.115 48.128 4.922 1.00 0.00 C ATOM 178 CD GLU A 13 11.178 49.327 5.007 1.00 0.00 C ATOM 179 OE1 GLU A 13 9.987 49.111 5.157 1.00 0.00 O1- ATOM 180 OE2 GLU A 13 11.664 50.443 4.927 1.00 0.00 O ATOM 0 H GLU A 13 12.588 46.274 2.919 1.00 0.00 H new ATOM 0 HA GLU A 13 13.002 45.743 5.670 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.636 46.803 4.062 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.675 46.782 5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.807 48.136 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.717 48.189 4.015 1.00 0.00 H new ATOM 187 N TRP A 14 10.831 43.891 4.053 1.00 0.00 N ATOM 188 CA TRP A 14 10.039 42.685 4.112 1.00 0.00 C ATOM 189 C TRP A 14 10.917 41.493 4.464 1.00 0.00 C ATOM 190 O TRP A 14 10.559 40.679 5.313 1.00 0.00 O ATOM 191 CB TRP A 14 9.377 42.477 2.757 1.00 0.00 C ATOM 192 CG TRP A 14 8.093 41.742 2.929 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.757 40.620 2.261 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.968 42.055 3.804 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.492 40.224 2.660 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.968 41.075 3.611 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.713 43.084 4.734 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.765 41.109 4.312 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.501 43.119 5.441 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.529 42.132 5.231 1.00 0.00 C ATOM 0 H TRP A 14 10.853 44.337 3.136 1.00 0.00 H new ATOM 0 HA TRP A 14 9.276 42.779 4.885 1.00 0.00 H new ATOM 0 HB2 TRP A 14 9.194 43.440 2.280 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.042 41.917 2.100 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.374 40.113 1.534 1.00 0.00 H new ATOM 0 HE1 TRP A 14 6.007 39.404 2.296 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.455 43.850 4.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.018 40.347 4.145 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.317 43.912 6.151 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.599 42.163 5.779 1.00 0.00 H new ATOM 211 N ASN A 15 12.072 41.391 3.816 1.00 0.00 N ATOM 212 CA ASN A 15 12.987 40.288 4.082 1.00 0.00 C ATOM 213 C ASN A 15 13.340 40.227 5.561 1.00 0.00 C ATOM 214 O ASN A 15 13.413 39.146 6.149 1.00 0.00 O ATOM 215 CB ASN A 15 14.263 40.463 3.264 1.00 0.00 C ATOM 216 CG ASN A 15 13.961 40.288 1.780 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.724 40.322 1.367 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 14.877 40.127 0.974 1.00 0.00 N flip ATOM 0 H ASN A 15 12.395 42.052 3.109 1.00 0.00 H new ATOM 0 HA ASN A 15 12.494 39.358 3.799 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.686 41.451 3.443 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.010 39.734 3.580 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.844 40.101 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 15 14.670 40.020 -0.019 1.00 0.00 H new ATOM 225 N GLN A 16 13.541 41.393 6.161 1.00 0.00 N ATOM 226 CA GLN A 16 13.866 41.442 7.580 1.00 0.00 C ATOM 227 C GLN A 16 12.694 40.899 8.384 1.00 0.00 C ATOM 228 O GLN A 16 12.879 40.143 9.339 1.00 0.00 O ATOM 229 CB GLN A 16 14.177 42.877 8.009 1.00 0.00 C ATOM 230 CG GLN A 16 15.605 43.233 7.592 1.00 0.00 C ATOM 231 CD GLN A 16 15.691 43.363 6.076 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.472 42.391 5.353 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.998 44.516 5.550 1.00 0.00 N ATOM 0 H GLN A 16 13.486 42.300 5.699 1.00 0.00 H new ATOM 0 HA GLN A 16 14.749 40.830 7.765 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.469 43.567 7.550 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.066 42.978 9.089 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.907 44.169 8.063 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.296 42.464 7.939 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.179 45.319 6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 16 16.057 44.615 4.537 1.00 0.00 H new ATOM 242 N LEU A 17 11.489 41.284 7.982 1.00 0.00 N ATOM 243 CA LEU A 17 10.286 40.824 8.665 1.00 0.00 C ATOM 244 C LEU A 17 10.211 39.303 8.605 1.00 0.00 C ATOM 245 O LEU A 17 9.814 38.649 9.569 1.00 0.00 O ATOM 246 CB LEU A 17 9.046 41.420 7.994 1.00 0.00 C ATOM 247 CG LEU A 17 7.803 41.087 8.821 1.00 0.00 C ATOM 248 CD1 LEU A 17 7.783 41.941 10.091 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.549 41.384 7.997 1.00 0.00 C ATOM 0 H LEU A 17 11.319 41.908 7.193 1.00 0.00 H new ATOM 0 HA LEU A 17 10.324 41.146 9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.154 42.501 7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.940 41.023 6.984 1.00 0.00 H new ATOM 0 HG LEU A 17 7.825 40.032 9.093 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.896 41.701 10.677 1.00 0.00 H new ATOM 0 HD12 LEU A 17 8.675 41.735 10.682 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.763 42.996 9.819 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.663 41.147 8.585 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.533 42.440 7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.556 40.777 7.092 1.00 0.00 H new ATOM 261 N LYS A 18 10.604 38.749 7.463 1.00 0.00 N ATOM 262 CA LYS A 18 10.588 37.305 7.283 1.00 0.00 C ATOM 263 C LYS A 18 11.509 36.633 8.289 1.00 0.00 C ATOM 264 O LYS A 18 11.135 35.646 8.916 1.00 0.00 O ATOM 265 CB LYS A 18 11.022 36.956 5.858 1.00 0.00 C ATOM 266 CG LYS A 18 9.996 37.535 4.883 1.00 0.00 C ATOM 267 CD LYS A 18 10.353 37.155 3.445 1.00 0.00 C ATOM 268 CE LYS A 18 9.463 37.948 2.484 1.00 0.00 C ATOM 269 NZ LYS A 18 8.753 37.009 1.571 1.00 0.00 N1+ ATOM 0 H LYS A 18 10.935 39.275 6.654 1.00 0.00 H new ATOM 0 HA LYS A 18 9.573 36.942 7.448 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.012 37.364 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.091 35.875 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.001 37.162 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.963 38.620 4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.404 37.369 3.249 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.212 36.085 3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.741 38.540 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.067 38.647 1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.931 37.488 1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.400 36.704 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.432 36.179 2.108 1.00 0.00 H new ATOM 283 N GLN A 19 12.715 37.170 8.449 1.00 0.00 N ATOM 284 CA GLN A 19 13.662 36.590 9.393 1.00 0.00 C ATOM 285 C GLN A 19 13.095 36.635 10.807 1.00 0.00 C ATOM 286 O GLN A 19 13.190 35.659 11.549 1.00 0.00 O ATOM 287 CB GLN A 19 14.996 37.344 9.344 1.00 0.00 C ATOM 288 CG GLN A 19 15.904 36.734 8.268 1.00 0.00 C ATOM 289 CD GLN A 19 15.099 36.395 7.017 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.126 37.077 6.698 1.00 0.00 O ATOM 291 NE2 GLN A 19 15.455 35.378 6.280 1.00 0.00 N ATOM 0 H GLN A 19 13.055 37.991 7.947 1.00 0.00 H new ATOM 0 HA GLN A 19 13.833 35.551 9.113 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.820 38.398 9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.487 37.295 10.316 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.700 37.435 8.016 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.382 35.834 8.655 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.262 34.813 6.546 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.926 35.148 5.439 1.00 0.00 H new ATOM 300 N ASP A 20 12.507 37.768 11.183 1.00 0.00 N ATOM 301 CA ASP A 20 11.940 37.907 12.515 1.00 0.00 C ATOM 302 C ASP A 20 10.835 36.879 12.741 1.00 0.00 C ATOM 303 O ASP A 20 10.752 36.269 13.805 1.00 0.00 O ATOM 304 CB ASP A 20 11.379 39.318 12.693 1.00 0.00 C ATOM 305 CG ASP A 20 12.515 40.336 12.647 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.653 39.917 12.515 1.00 0.00 O1- ATOM 307 OD2 ASP A 20 12.229 41.519 12.733 1.00 0.00 O ATOM 0 H ASP A 20 12.413 38.592 10.590 1.00 0.00 H new ATOM 0 HA ASP A 20 12.728 37.734 13.247 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.654 39.533 11.908 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.851 39.392 13.643 1.00 0.00 H new ATOM 312 N PHE A 21 9.990 36.677 11.733 1.00 0.00 N ATOM 313 CA PHE A 21 8.910 35.707 11.857 1.00 0.00 C ATOM 314 C PHE A 21 9.497 34.304 11.945 1.00 0.00 C ATOM 315 O PHE A 21 9.106 33.504 12.793 1.00 0.00 O ATOM 316 CB PHE A 21 7.966 35.801 10.654 1.00 0.00 C ATOM 317 CG PHE A 21 7.115 37.054 10.740 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.470 38.113 11.592 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.958 37.154 9.957 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.672 39.262 11.653 1.00 0.00 C ATOM 321 CE2 PHE A 21 5.160 38.304 10.023 1.00 0.00 C ATOM 322 CZ PHE A 21 5.518 39.357 10.870 1.00 0.00 C ATOM 0 H PHE A 21 10.031 37.163 10.837 1.00 0.00 H new ATOM 0 HA PHE A 21 8.342 35.923 12.762 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.545 35.811 9.730 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.324 34.921 10.619 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.359 38.041 12.201 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.680 36.343 9.301 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.949 40.076 12.306 1.00 0.00 H new ATOM 0 HE2 PHE A 21 4.268 38.377 9.419 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.903 40.244 10.919 1.00 0.00 H new ATOM 332 N ILE A 22 10.459 34.028 11.074 1.00 0.00 N ATOM 333 CA ILE A 22 11.121 32.731 11.075 1.00 0.00 C ATOM 334 C ILE A 22 11.758 32.495 12.440 1.00 0.00 C ATOM 335 O ILE A 22 11.660 31.408 13.006 1.00 0.00 O ATOM 336 CB ILE A 22 12.165 32.683 9.961 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.449 32.807 8.615 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.916 31.353 10.010 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.444 33.236 7.536 1.00 0.00 C ATOM 0 H ILE A 22 10.796 34.678 10.364 1.00 0.00 H new ATOM 0 HA ILE A 22 10.395 31.940 10.889 1.00 0.00 H new ATOM 0 HB ILE A 22 12.876 33.499 10.089 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.995 31.854 8.345 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.641 33.535 8.688 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.659 31.325 9.213 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.414 31.252 10.974 1.00 0.00 H new ATOM 0 HG23 ILE A 22 12.211 30.532 9.878 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.929 33.323 6.580 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.877 34.200 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.236 32.492 7.455 1.00 0.00 H new ATOM 351 N SER A 23 12.396 33.537 12.971 1.00 0.00 N ATOM 352 CA SER A 23 13.019 33.440 14.284 1.00 0.00 C ATOM 353 C SER A 23 11.968 33.019 15.305 1.00 0.00 C ATOM 354 O SER A 23 12.220 32.179 16.169 1.00 0.00 O ATOM 355 CB SER A 23 13.617 34.789 14.693 1.00 0.00 C ATOM 356 OG SER A 23 14.550 35.211 13.708 1.00 0.00 O ATOM 0 H SER A 23 12.493 34.445 12.517 1.00 0.00 H new ATOM 0 HA SER A 23 13.819 32.701 14.245 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.826 35.531 14.802 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.109 34.702 15.662 1.00 0.00 H new ATOM 0 HG SER A 23 14.079 35.392 12.868 1.00 0.00 H new ATOM 362 N GLY A 24 10.782 33.606 15.186 1.00 0.00 N ATOM 363 CA GLY A 24 9.683 33.287 16.087 1.00 0.00 C ATOM 364 C GLY A 24 9.300 31.814 15.986 1.00 0.00 C ATOM 365 O GLY A 24 8.868 31.208 16.965 1.00 0.00 O ATOM 0 H GLY A 24 10.558 34.303 14.476 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.969 33.522 17.112 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.820 33.908 15.847 1.00 0.00 H new ATOM 369 N ILE A 25 9.453 31.245 14.792 1.00 0.00 N ATOM 370 CA ILE A 25 9.107 29.843 14.576 1.00 0.00 C ATOM 371 C ILE A 25 10.129 28.911 15.227 1.00 0.00 C ATOM 372 O ILE A 25 9.766 27.863 15.756 1.00 0.00 O ATOM 373 CB ILE A 25 9.045 29.538 13.072 1.00 0.00 C ATOM 374 CG1 ILE A 25 8.067 30.489 12.369 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.582 28.098 12.862 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.763 30.594 13.166 1.00 0.00 C ATOM 0 H ILE A 25 9.810 31.728 13.968 1.00 0.00 H new ATOM 0 HA ILE A 25 8.132 29.672 15.033 1.00 0.00 H new ATOM 0 HB ILE A 25 10.040 29.676 12.648 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.519 31.476 12.266 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.858 30.128 11.362 1.00 0.00 H new ATOM 0 HG21 ILE A 25 8.538 27.882 11.795 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.284 27.416 13.342 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.592 27.966 13.300 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.078 31.272 12.656 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.305 29.608 13.246 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.976 30.977 14.164 1.00 0.00 H new ATOM 388 N LEU A 26 11.405 29.285 15.171 1.00 0.00 N ATOM 389 CA LEU A 26 12.461 28.453 15.749 1.00 0.00 C ATOM 390 C LEU A 26 12.655 28.728 17.241 1.00 0.00 C ATOM 391 O LEU A 26 13.062 27.842 17.993 1.00 0.00 O ATOM 392 CB LEU A 26 13.778 28.690 15.000 1.00 0.00 C ATOM 393 CG LEU A 26 14.646 29.694 15.766 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.363 28.996 16.927 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.683 30.297 14.817 1.00 0.00 C ATOM 0 H LEU A 26 11.732 30.148 14.737 1.00 0.00 H new ATOM 0 HA LEU A 26 12.157 27.412 15.643 1.00 0.00 H new ATOM 0 HB2 LEU A 26 14.314 27.748 14.884 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.573 29.065 13.997 1.00 0.00 H new ATOM 0 HG LEU A 26 14.008 30.483 16.165 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.977 29.720 17.464 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.625 28.571 17.607 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.998 28.200 16.537 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.301 31.012 15.360 1.00 0.00 H new ATOM 0 HD22 LEU A 26 16.313 29.504 14.415 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.174 30.806 13.998 1.00 0.00 H new ATOM 407 N GLU A 27 12.369 29.953 17.662 1.00 0.00 N ATOM 408 CA GLU A 27 12.527 30.319 19.068 1.00 0.00 C ATOM 409 C GLU A 27 11.396 29.752 19.926 1.00 0.00 C ATOM 410 O GLU A 27 11.611 29.392 21.084 1.00 0.00 O ATOM 411 CB GLU A 27 12.586 31.843 19.218 1.00 0.00 C ATOM 412 CG GLU A 27 13.893 32.367 18.615 1.00 0.00 C ATOM 413 CD GLU A 27 15.089 31.707 19.295 1.00 0.00 C ATOM 414 OE1 GLU A 27 14.945 31.296 20.435 1.00 0.00 O1- ATOM 415 OE2 GLU A 27 16.131 31.624 18.666 1.00 0.00 O ATOM 0 H GLU A 27 12.030 30.704 17.060 1.00 0.00 H new ATOM 0 HA GLU A 27 13.464 29.887 19.419 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.733 32.301 18.718 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.523 32.118 20.271 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.916 32.163 17.545 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.949 33.449 18.734 1.00 0.00 H new ATOM 422 N ASN A 28 10.191 29.683 19.364 1.00 0.00 N ATOM 423 CA ASN A 28 9.050 29.167 20.113 1.00 0.00 C ATOM 424 C ASN A 28 8.823 27.685 19.837 1.00 0.00 C ATOM 425 O ASN A 28 9.397 27.111 18.913 1.00 0.00 O ATOM 426 CB ASN A 28 7.784 29.951 19.757 1.00 0.00 C ATOM 427 CG ASN A 28 7.399 29.696 18.303 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.165 28.951 17.554 1.00 0.00 O flip ATOM 429 ND2 ASN A 28 6.371 30.189 17.835 1.00 0.00 N flip ATOM 0 H ASN A 28 9.982 29.973 18.409 1.00 0.00 H new ATOM 0 HA ASN A 28 9.272 29.289 21.173 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.967 29.655 20.415 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.950 31.016 19.915 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.772 30.771 18.421 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.119 30.015 16.862 1.00 0.00 H new ATOM 436 N GLU A 29 7.965 27.082 20.651 1.00 0.00 N ATOM 437 CA GLU A 29 7.629 25.669 20.513 1.00 0.00 C ATOM 438 C GLU A 29 7.109 25.383 19.108 1.00 0.00 C ATOM 439 O GLU A 29 7.198 24.258 18.615 1.00 0.00 O ATOM 440 CB GLU A 29 6.557 25.312 21.549 1.00 0.00 C ATOM 441 CG GLU A 29 6.216 23.825 21.465 1.00 0.00 C ATOM 442 CD GLU A 29 5.117 23.495 22.469 1.00 0.00 C ATOM 443 OE1 GLU A 29 4.797 24.358 23.271 1.00 0.00 O ATOM 444 OE2 GLU A 29 4.607 22.390 22.420 1.00 0.00 O1- ATOM 0 H GLU A 29 7.486 27.553 21.419 1.00 0.00 H new ATOM 0 HA GLU A 29 8.521 25.065 20.679 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.913 25.555 22.550 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.661 25.908 21.376 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.889 23.573 20.456 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.103 23.226 21.671 1.00 0.00 H new ATOM 451 N GLN A 30 6.554 26.414 18.485 1.00 0.00 N ATOM 452 CA GLN A 30 5.997 26.306 17.149 1.00 0.00 C ATOM 453 C GLN A 30 7.009 25.737 16.157 1.00 0.00 C ATOM 454 O GLN A 30 6.640 25.313 15.062 1.00 0.00 O ATOM 455 CB GLN A 30 5.554 27.691 16.690 1.00 0.00 C ATOM 456 CG GLN A 30 4.475 27.548 15.628 1.00 0.00 C ATOM 457 CD GLN A 30 4.232 28.891 14.949 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.641 29.986 15.528 1.00 0.00 O flip ATOM 459 NE2 GLN A 30 3.651 28.942 13.865 1.00 0.00 N flip ATOM 0 H GLN A 30 6.479 27.346 18.893 1.00 0.00 H new ATOM 0 HA GLN A 30 5.149 25.622 17.183 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.174 28.263 17.536 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.404 28.243 16.289 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.777 26.806 14.888 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.552 27.188 16.082 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.333 28.083 13.416 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.488 29.843 13.416 1.00 0.00 H new ATOM 468 N LYS A 31 8.284 25.730 16.529 1.00 0.00 N ATOM 469 CA LYS A 31 9.313 25.202 15.640 1.00 0.00 C ATOM 470 C LYS A 31 8.994 23.752 15.284 1.00 0.00 C ATOM 471 O LYS A 31 9.189 23.310 14.147 1.00 0.00 O ATOM 472 CB LYS A 31 10.677 25.268 16.328 1.00 0.00 C ATOM 473 CG LYS A 31 10.758 24.189 17.408 1.00 0.00 C ATOM 474 CD LYS A 31 12.083 24.317 18.161 1.00 0.00 C ATOM 475 CE LYS A 31 12.308 23.069 19.016 1.00 0.00 C ATOM 476 NZ LYS A 31 13.574 22.409 18.597 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.627 26.078 17.425 1.00 0.00 H new ATOM 0 HA LYS A 31 9.338 25.802 14.730 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.472 25.125 15.596 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.825 26.253 16.771 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.923 24.290 18.101 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.679 23.200 16.956 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.904 24.440 17.455 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.070 25.206 18.792 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.357 23.340 20.071 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.471 22.381 18.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.731 21.560 19.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.509 22.138 17.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.368 23.068 18.726 1.00 0.00 H new ATOM 490 N ASP A 32 8.490 23.018 16.267 1.00 0.00 N ATOM 491 CA ASP A 32 8.134 21.621 16.061 1.00 0.00 C ATOM 492 C ASP A 32 7.057 21.510 14.995 1.00 0.00 C ATOM 493 O ASP A 32 7.130 20.668 14.103 1.00 0.00 O ATOM 494 CB ASP A 32 7.608 21.023 17.368 1.00 0.00 C ATOM 495 CG ASP A 32 8.132 19.603 17.548 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.201 19.458 18.116 1.00 0.00 O1- ATOM 497 OD2 ASP A 32 7.458 18.682 17.116 1.00 0.00 O ATOM 0 H ASP A 32 8.319 23.365 17.211 1.00 0.00 H new ATOM 0 HA ASP A 32 9.022 21.077 15.738 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.918 21.642 18.210 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.518 21.018 17.361 1.00 0.00 H new ATOM 502 N LEU A 33 6.059 22.375 15.100 1.00 0.00 N ATOM 503 CA LEU A 33 4.955 22.386 14.151 1.00 0.00 C ATOM 504 C LEU A 33 5.480 22.528 12.731 1.00 0.00 C ATOM 505 O LEU A 33 4.976 21.897 11.803 1.00 0.00 O ATOM 506 CB LEU A 33 4.033 23.560 14.471 1.00 0.00 C ATOM 507 CG LEU A 33 2.733 23.426 13.679 1.00 0.00 C ATOM 508 CD1 LEU A 33 1.777 22.476 14.404 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.082 24.802 13.550 1.00 0.00 C ATOM 0 H LEU A 33 5.991 23.080 15.834 1.00 0.00 H new ATOM 0 HA LEU A 33 4.406 21.447 14.230 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.818 23.585 15.539 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.526 24.500 14.223 1.00 0.00 H new ATOM 0 HG LEU A 33 2.951 23.025 12.689 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.852 22.385 13.834 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.242 21.495 14.500 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.555 22.870 15.396 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.154 24.714 12.986 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.867 25.197 14.543 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.760 25.478 13.029 1.00 0.00 H new ATOM 521 N VAL A 34 6.495 23.362 12.567 1.00 0.00 N ATOM 522 CA VAL A 34 7.071 23.572 11.246 1.00 0.00 C ATOM 523 C VAL A 34 7.711 22.282 10.741 1.00 0.00 C ATOM 524 O VAL A 34 7.639 21.970 9.554 1.00 0.00 O ATOM 525 CB VAL A 34 8.091 24.723 11.267 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.526 24.182 11.261 1.00 0.00 C ATOM 527 CG2 VAL A 34 7.876 25.596 10.026 1.00 0.00 C ATOM 0 H VAL A 34 6.932 23.897 13.318 1.00 0.00 H new ATOM 0 HA VAL A 34 6.272 23.853 10.560 1.00 0.00 H new ATOM 0 HB VAL A 34 7.946 25.307 12.176 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.229 25.015 11.276 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.683 23.558 12.141 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.687 23.588 10.362 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.594 26.416 10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.017 24.994 9.129 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.864 26.000 10.036 1.00 0.00 H new ATOM 537 N ALA A 35 8.330 21.529 11.648 1.00 0.00 N ATOM 538 CA ALA A 35 8.961 20.270 11.259 1.00 0.00 C ATOM 539 C ALA A 35 7.909 19.270 10.783 1.00 0.00 C ATOM 540 O ALA A 35 8.139 18.517 9.837 1.00 0.00 O ATOM 541 CB ALA A 35 9.742 19.674 12.434 1.00 0.00 C ATOM 0 H ALA A 35 8.408 21.762 12.638 1.00 0.00 H new ATOM 0 HA ALA A 35 9.652 20.476 10.442 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.205 18.737 12.125 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.516 20.374 12.749 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.062 19.486 13.265 1.00 0.00 H new ATOM 689 N ASN A 45 12.175 26.547 8.003 1.00 0.00 N ATOM 690 CA ASN A 45 10.831 26.857 8.447 1.00 0.00 C ATOM 691 C ASN A 45 9.932 27.071 7.238 1.00 0.00 C ATOM 692 O ASN A 45 9.155 28.024 7.189 1.00 0.00 O ATOM 693 CB ASN A 45 10.849 28.112 9.322 1.00 0.00 C ATOM 694 CG ASN A 45 11.546 27.808 10.642 1.00 0.00 C ATOM 695 OD1 ASN A 45 11.891 28.724 11.389 1.00 0.00 O ATOM 696 ND2 ASN A 45 11.773 26.569 10.977 1.00 0.00 N ATOM 0 HA ASN A 45 10.443 26.026 9.036 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.366 28.920 8.805 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.830 28.452 9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.237 26.356 11.860 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.486 25.812 10.356 1.00 0.00 H new ATOM 703 N GLN A 46 10.076 26.195 6.248 1.00 0.00 N ATOM 704 CA GLN A 46 9.299 26.297 5.018 1.00 0.00 C ATOM 705 C GLN A 46 9.364 27.721 4.463 1.00 0.00 C ATOM 706 O GLN A 46 8.341 28.379 4.290 1.00 0.00 O ATOM 707 CB GLN A 46 7.839 25.852 5.246 1.00 0.00 C ATOM 708 CG GLN A 46 7.162 26.676 6.348 1.00 0.00 C ATOM 709 CD GLN A 46 5.702 26.261 6.474 1.00 0.00 C ATOM 710 OE1 GLN A 46 4.817 26.762 5.662 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 5.363 25.443 7.328 1.00 0.00 N flip ATOM 0 H GLN A 46 10.723 25.407 6.274 1.00 0.00 H new ATOM 0 HA GLN A 46 9.735 25.624 4.280 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.278 25.955 4.317 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.818 24.796 5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.677 26.525 7.297 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.229 27.739 6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.058 25.051 7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.387 25.156 7.401 1.00 0.00 H new ATOM 720 N LEU A 47 10.591 28.181 4.187 1.00 0.00 N ATOM 721 CA LEU A 47 10.800 29.532 3.650 1.00 0.00 C ATOM 722 C LEU A 47 9.870 29.818 2.470 1.00 0.00 C ATOM 723 O LEU A 47 9.235 30.870 2.420 1.00 0.00 O ATOM 724 CB LEU A 47 12.253 29.724 3.178 1.00 0.00 C ATOM 725 CG LEU A 47 13.217 29.787 4.369 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.608 30.191 3.879 1.00 0.00 C ATOM 727 CD2 LEU A 47 12.731 30.827 5.381 1.00 0.00 C ATOM 0 H LEU A 47 11.447 27.644 4.325 1.00 0.00 H new ATOM 0 HA LEU A 47 10.580 30.225 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.536 28.903 2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.331 30.641 2.594 1.00 0.00 H new ATOM 0 HG LEU A 47 13.257 28.806 4.843 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.293 30.236 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.968 29.456 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.556 31.170 3.402 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.421 30.865 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.686 31.806 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.738 30.552 5.737 1.00 0.00 H new ATOM 739 N ASP A 48 9.823 28.900 1.507 1.00 0.00 N ATOM 740 CA ASP A 48 8.996 29.097 0.314 1.00 0.00 C ATOM 741 C ASP A 48 7.510 29.231 0.649 1.00 0.00 C ATOM 742 O ASP A 48 6.877 30.223 0.281 1.00 0.00 O ATOM 743 CB ASP A 48 9.190 27.929 -0.650 1.00 0.00 C ATOM 744 CG ASP A 48 8.991 26.607 0.085 1.00 0.00 C ATOM 745 OD1 ASP A 48 9.354 26.537 1.247 1.00 0.00 O ATOM 746 OD2 ASP A 48 8.477 25.685 -0.527 1.00 0.00 O1- ATOM 0 H ASP A 48 10.341 28.021 1.526 1.00 0.00 H new ATOM 0 HA ASP A 48 9.318 30.030 -0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.482 28.006 -1.475 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.189 27.967 -1.083 1.00 0.00 H new ATOM 751 N LEU A 49 6.947 28.240 1.335 1.00 0.00 N ATOM 752 CA LEU A 49 5.530 28.299 1.685 1.00 0.00 C ATOM 753 C LEU A 49 5.272 29.508 2.582 1.00 0.00 C ATOM 754 O LEU A 49 4.255 30.192 2.452 1.00 0.00 O ATOM 755 CB LEU A 49 5.102 27.009 2.398 1.00 0.00 C ATOM 756 CG LEU A 49 5.461 25.795 1.532 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.008 24.513 2.233 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.755 25.909 0.178 1.00 0.00 C ATOM 0 H LEU A 49 7.437 27.404 1.654 1.00 0.00 H new ATOM 0 HA LEU A 49 4.943 28.399 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.597 26.936 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.029 27.027 2.589 1.00 0.00 H new ATOM 0 HG LEU A 49 6.540 25.765 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.264 23.651 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.508 24.430 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.929 24.543 2.385 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.009 25.047 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.676 25.940 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.076 26.822 -0.324 1.00 0.00 H new ATOM 770 N LEU A 50 6.201 29.741 3.504 1.00 0.00 N ATOM 771 CA LEU A 50 6.088 30.850 4.451 1.00 0.00 C ATOM 772 C LEU A 50 5.998 32.189 3.718 1.00 0.00 C ATOM 773 O LEU A 50 5.170 33.032 4.060 1.00 0.00 O ATOM 774 CB LEU A 50 7.324 30.856 5.362 1.00 0.00 C ATOM 775 CG LEU A 50 7.092 31.744 6.590 1.00 0.00 C ATOM 776 CD1 LEU A 50 8.208 31.497 7.612 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.111 33.218 6.182 1.00 0.00 C ATOM 0 H LEU A 50 7.043 29.176 3.617 1.00 0.00 H new ATOM 0 HA LEU A 50 5.180 30.716 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.551 29.839 5.681 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.189 31.216 4.806 1.00 0.00 H new ATOM 0 HG LEU A 50 6.123 31.501 7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.046 32.127 8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.200 30.449 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.172 31.739 7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.945 33.841 7.061 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.078 33.461 5.742 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.323 33.404 5.452 1.00 0.00 H new ATOM 789 N HIS A 51 6.857 32.384 2.719 1.00 0.00 N ATOM 790 CA HIS A 51 6.865 33.630 1.963 1.00 0.00 C ATOM 791 C HIS A 51 5.530 33.862 1.262 1.00 0.00 C ATOM 792 O HIS A 51 4.990 34.967 1.302 1.00 0.00 O ATOM 793 CB HIS A 51 7.987 33.607 0.924 1.00 0.00 C ATOM 794 CG HIS A 51 9.322 33.665 1.616 1.00 0.00 C ATOM 795 ND1 HIS A 51 9.733 33.243 2.857 1.00 0.00 N flip ATOM 796 CD2 HIS A 51 10.444 34.215 1.014 1.00 0.00 C flip ATOM 797 CE1 HIS A 51 11.086 33.526 3.025 1.00 0.00 C flip ATOM 798 NE2 HIS A 51 11.464 34.110 1.885 1.00 0.00 N flip ATOM 0 H HIS A 51 7.551 31.699 2.418 1.00 0.00 H new ATOM 0 HA HIS A 51 7.032 34.445 2.667 1.00 0.00 H new ATOM 0 HB2 HIS A 51 7.918 32.702 0.321 1.00 0.00 H new ATOM 0 HB3 HIS A 51 7.883 34.452 0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.490 34.649 0.026 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.698 33.318 3.890 1.00 0.00 H new ATOM 0 HE2 HIS A 51 12.412 34.437 1.697 1.00 0.00 H new ATOM 807 N LYS A 52 5.005 32.824 0.610 1.00 0.00 N ATOM 808 CA LYS A 52 3.736 32.957 -0.104 1.00 0.00 C ATOM 809 C LYS A 52 2.635 33.357 0.872 1.00 0.00 C ATOM 810 O LYS A 52 1.874 34.290 0.619 1.00 0.00 O ATOM 811 CB LYS A 52 3.365 31.633 -0.778 1.00 0.00 C ATOM 812 CG LYS A 52 4.446 31.245 -1.791 1.00 0.00 C ATOM 813 CD LYS A 52 4.004 29.991 -2.552 1.00 0.00 C ATOM 814 CE LYS A 52 5.207 29.373 -3.268 1.00 0.00 C ATOM 815 NZ LYS A 52 6.292 29.122 -2.276 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.430 31.898 0.561 1.00 0.00 H new ATOM 0 HA LYS A 52 3.843 33.727 -0.868 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.259 30.850 -0.028 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.401 31.727 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.618 32.065 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.390 31.059 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.569 29.269 -1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.230 30.247 -3.275 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.918 28.440 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.562 30.042 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.714 28.188 -2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.024 29.855 -2.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.896 29.148 -1.315 1.00 0.00 H new ATOM 829 N TRP A 53 2.573 32.646 1.993 1.00 0.00 N ATOM 830 CA TRP A 53 1.580 32.926 3.024 1.00 0.00 C ATOM 831 C TRP A 53 1.716 34.372 3.494 1.00 0.00 C ATOM 832 O TRP A 53 0.744 35.126 3.523 1.00 0.00 O ATOM 833 CB TRP A 53 1.833 31.971 4.195 1.00 0.00 C ATOM 834 CG TRP A 53 0.708 32.007 5.184 1.00 0.00 C ATOM 835 CD1 TRP A 53 -0.343 31.155 5.195 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.524 32.897 6.321 1.00 0.00 C ATOM 837 NE1 TRP A 53 -1.158 31.464 6.269 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.667 32.531 6.993 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.265 33.976 6.831 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -1.103 33.208 8.132 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.830 34.661 7.974 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.353 34.277 8.626 1.00 0.00 C ATOM 0 H TRP A 53 3.199 31.871 2.211 1.00 0.00 H new ATOM 0 HA TRP A 53 0.573 32.784 2.631 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.956 30.956 3.818 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.765 32.241 4.692 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.517 30.363 4.482 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.017 30.964 6.498 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.177 34.280 6.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.014 32.907 8.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.408 35.489 8.356 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.682 34.807 9.507 1.00 0.00 H new ATOM 853 N LEU A 54 2.937 34.740 3.867 1.00 0.00 N ATOM 854 CA LEU A 54 3.209 36.091 4.346 1.00 0.00 C ATOM 855 C LEU A 54 2.826 37.125 3.289 1.00 0.00 C ATOM 856 O LEU A 54 2.078 38.064 3.565 1.00 0.00 O ATOM 857 CB LEU A 54 4.698 36.229 4.676 1.00 0.00 C ATOM 858 CG LEU A 54 4.971 37.589 5.312 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.536 37.564 6.778 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.469 37.889 5.231 1.00 0.00 C ATOM 0 H LEU A 54 3.751 34.125 3.847 1.00 0.00 H new ATOM 0 HA LEU A 54 2.613 36.268 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.003 35.433 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.291 36.118 3.768 1.00 0.00 H new ATOM 0 HG LEU A 54 4.412 38.360 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.731 38.536 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.470 37.343 6.838 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.096 36.796 7.311 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.671 38.860 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.024 37.117 5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.781 37.904 4.187 1.00 0.00 H new ATOM 872 N ASP A 55 3.352 36.948 2.082 1.00 0.00 N ATOM 873 CA ASP A 55 3.068 37.872 0.989 1.00 0.00 C ATOM 874 C ASP A 55 1.568 37.983 0.730 1.00 0.00 C ATOM 875 O ASP A 55 1.047 39.080 0.531 1.00 0.00 O ATOM 876 CB ASP A 55 3.775 37.402 -0.286 1.00 0.00 C ATOM 877 CG ASP A 55 5.283 37.593 -0.153 1.00 0.00 C ATOM 878 OD1 ASP A 55 5.686 38.494 0.565 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 6.013 36.840 -0.776 1.00 0.00 O ATOM 0 H ASP A 55 3.974 36.178 1.836 1.00 0.00 H new ATOM 0 HA ASP A 55 3.439 38.856 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.549 36.352 -0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.404 37.963 -1.144 1.00 0.00 H new ATOM 884 N ARG A 56 0.876 36.847 0.736 1.00 0.00 N ATOM 885 CA ARG A 56 -0.562 36.831 0.506 1.00 0.00 C ATOM 886 C ARG A 56 -1.295 37.640 1.570 1.00 0.00 C ATOM 887 O ARG A 56 -2.327 38.251 1.297 1.00 0.00 O ATOM 888 CB ARG A 56 -1.060 35.381 0.530 1.00 0.00 C ATOM 889 CG ARG A 56 -2.579 35.333 0.340 1.00 0.00 C ATOM 890 CD ARG A 56 -2.933 35.586 -1.126 1.00 0.00 C ATOM 891 NE ARG A 56 -4.373 35.479 -1.313 1.00 0.00 N ATOM 892 CZ ARG A 56 -4.972 35.978 -2.389 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.267 36.579 -3.308 1.00 0.00 N ATOM 894 NH2 ARG A 56 -6.265 35.865 -2.527 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.289 35.928 0.897 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.765 37.281 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.571 34.809 -0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.791 34.913 1.477 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.962 34.361 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.056 36.082 0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.591 36.576 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.420 34.865 -1.763 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.935 35.010 -0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.256 36.666 -3.200 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.727 36.962 -4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.815 35.394 -1.809 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.725 36.248 -3.353 1.00 0.00 H new ATOM 908 N HIS A 57 -0.766 37.623 2.787 1.00 0.00 N ATOM 909 CA HIS A 57 -1.394 38.342 3.886 1.00 0.00 C ATOM 910 C HIS A 57 -0.497 39.462 4.410 1.00 0.00 C ATOM 911 O HIS A 57 -0.648 39.896 5.547 1.00 0.00 O ATOM 912 CB HIS A 57 -1.714 37.365 5.016 1.00 0.00 C ATOM 913 CG HIS A 57 -2.513 36.215 4.463 1.00 0.00 C ATOM 914 ND1 HIS A 57 -3.827 36.360 4.045 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.193 34.899 4.243 1.00 0.00 C ATOM 916 CE1 HIS A 57 -4.246 35.161 3.598 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.288 34.235 3.696 1.00 0.00 N ATOM 0 H HIS A 57 0.088 37.124 3.036 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.312 38.796 3.514 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.792 36.999 5.469 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.276 37.870 5.801 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.237 34.447 4.461 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.235 34.971 3.208 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.346 33.253 3.428 1.00 0.00 H new ATOM 926 N ARG A 58 0.421 39.938 3.571 1.00 0.00 N ATOM 927 CA ARG A 58 1.318 41.021 3.965 1.00 0.00 C ATOM 928 C ARG A 58 0.516 42.200 4.503 1.00 0.00 C ATOM 929 O ARG A 58 0.960 42.913 5.403 1.00 0.00 O ATOM 930 CB ARG A 58 2.170 41.463 2.772 1.00 0.00 C ATOM 931 CG ARG A 58 1.259 41.966 1.655 1.00 0.00 C ATOM 932 CD ARG A 58 2.016 41.959 0.324 1.00 0.00 C ATOM 933 NE ARG A 58 3.305 42.631 0.454 1.00 0.00 N ATOM 934 CZ ARG A 58 4.068 42.854 -0.612 1.00 0.00 C ATOM 935 NH1 ARG A 58 3.675 42.451 -1.789 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.208 43.472 -0.481 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.562 39.594 2.621 1.00 0.00 H new ATOM 0 HA ARG A 58 1.979 40.658 4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.860 42.251 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.775 40.630 2.415 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.374 41.334 1.583 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.913 42.975 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.169 40.932 -0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.419 42.455 -0.441 1.00 0.00 H new ATOM 0 HE ARG A 58 3.625 42.933 1.374 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.784 41.966 -1.891 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.259 42.621 -2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.516 43.785 0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.793 43.643 -1.299 1.00 0.00 H new ATOM 950 N ASP A 59 -0.672 42.392 3.944 1.00 0.00 N ATOM 951 CA ASP A 59 -1.541 43.481 4.374 1.00 0.00 C ATOM 952 C ASP A 59 -1.859 43.355 5.861 1.00 0.00 C ATOM 953 O ASP A 59 -2.104 44.351 6.540 1.00 0.00 O ATOM 954 CB ASP A 59 -2.845 43.466 3.574 1.00 0.00 C ATOM 955 CG ASP A 59 -3.678 42.241 3.943 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.177 41.406 4.677 1.00 0.00 O ATOM 957 OD2 ASP A 59 -4.808 42.159 3.493 1.00 0.00 O1- ATOM 0 H ASP A 59 -1.054 41.812 3.197 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.020 44.422 4.198 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.413 44.374 3.774 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.625 43.457 2.507 1.00 0.00 H new ATOM 962 N MET A 60 -1.861 42.123 6.358 1.00 0.00 N ATOM 963 CA MET A 60 -2.159 41.866 7.763 1.00 0.00 C ATOM 964 C MET A 60 -1.215 42.640 8.679 1.00 0.00 C ATOM 965 O MET A 60 -1.573 42.972 9.807 1.00 0.00 O ATOM 966 CB MET A 60 -2.053 40.368 8.050 1.00 0.00 C ATOM 967 CG MET A 60 -0.583 39.953 8.083 1.00 0.00 C ATOM 968 SD MET A 60 0.019 39.962 9.788 1.00 0.00 S ATOM 969 CE MET A 60 1.778 39.842 9.387 1.00 0.00 C ATOM 0 H MET A 60 -1.660 41.287 5.810 1.00 0.00 H new ATOM 0 HA MET A 60 -3.176 42.204 7.963 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.528 40.136 9.003 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.583 39.803 7.284 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.467 38.959 7.652 1.00 0.00 H new ATOM 0 HG3 MET A 60 0.011 40.635 7.475 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.211 38.986 9.903 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.898 39.716 8.311 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.286 40.752 9.704 1.00 0.00 H new ATOM 979 N CYS A 61 -0.013 42.927 8.191 1.00 0.00 N ATOM 980 CA CYS A 61 0.970 43.664 8.983 1.00 0.00 C ATOM 981 C CYS A 61 0.453 45.057 9.325 1.00 0.00 C ATOM 982 O CYS A 61 0.840 45.642 10.336 1.00 0.00 O ATOM 983 CB CYS A 61 2.282 43.788 8.206 1.00 0.00 C ATOM 984 SG CYS A 61 2.043 44.884 6.784 1.00 0.00 S ATOM 0 H CYS A 61 0.304 42.664 7.258 1.00 0.00 H new ATOM 0 HA CYS A 61 1.143 43.114 9.908 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.065 44.182 8.854 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.612 42.805 7.869 1.00 0.00 H new ATOM 0 HG CYS A 61 1.565 44.202 5.786 1.00 0.00 H new ATOM 990 N GLU A 62 -0.405 45.591 8.464 1.00 0.00 N ATOM 991 CA GLU A 62 -0.951 46.926 8.671 1.00 0.00 C ATOM 992 C GLU A 62 -1.990 46.946 9.790 1.00 0.00 C ATOM 993 O GLU A 62 -2.354 48.015 10.277 1.00 0.00 O ATOM 994 CB GLU A 62 -1.594 47.438 7.381 1.00 0.00 C ATOM 995 CG GLU A 62 -0.531 47.564 6.292 1.00 0.00 C ATOM 996 CD GLU A 62 -1.145 48.169 5.035 1.00 0.00 C ATOM 997 OE1 GLU A 62 -2.362 48.230 4.967 1.00 0.00 O ATOM 998 OE2 GLU A 62 -0.391 48.564 4.161 1.00 0.00 O1- ATOM 0 H GLU A 62 -0.736 45.123 7.620 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.123 47.574 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.380 46.755 7.059 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.065 48.405 7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.290 48.189 6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.111 46.584 6.066 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.476 45.776 10.199 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.476 45.710 11.258 1.00 0.00 C ATOM 1007 C LYS A 63 -2.810 45.729 12.634 1.00 0.00 C ATOM 1008 O LYS A 63 -3.433 45.385 13.637 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.302 44.431 11.106 1.00 0.00 C ATOM 1010 CG LYS A 63 -5.078 44.472 9.787 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.889 43.184 9.631 1.00 0.00 C ATOM 1012 CE LYS A 63 -6.519 43.141 8.238 1.00 0.00 C ATOM 1013 NZ LYS A 63 -5.766 42.180 7.381 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.197 44.872 9.818 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.127 46.581 11.175 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.648 43.559 11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.993 44.331 11.943 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.742 45.336 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.388 44.583 8.950 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.245 42.317 9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.666 43.136 10.394 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.564 42.840 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.503 44.134 7.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.402 41.788 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.977 42.673 6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.394 41.408 7.970 1.00 0.00 H new ATOM 1027 N TRP A 64 -1.554 46.163 12.675 1.00 0.00 N ATOM 1028 CA TRP A 64 -0.828 46.257 13.941 1.00 0.00 C ATOM 1029 C TRP A 64 0.505 46.973 13.759 1.00 0.00 C ATOM 1030 O TRP A 64 0.885 47.815 14.571 1.00 0.00 O ATOM 1031 CB TRP A 64 -0.576 44.871 14.548 1.00 0.00 C ATOM 1032 CG TRP A 64 -0.780 43.794 13.530 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -0.043 43.623 12.406 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -1.764 42.718 13.540 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -0.513 42.512 11.727 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.576 41.921 12.386 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -2.792 42.363 14.432 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.382 40.809 12.128 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.605 41.247 14.175 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.400 40.472 13.027 1.00 0.00 C ATOM 0 H TRP A 64 -1.020 46.453 11.856 1.00 0.00 H new ATOM 0 HA TRP A 64 -1.455 46.833 14.622 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.441 44.820 14.937 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.249 44.712 15.391 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.777 44.251 12.091 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.123 42.171 10.848 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.957 42.953 15.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.220 40.214 11.241 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.392 40.985 14.866 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.028 39.614 12.835 1.00 0.00 H new ATOM 1051 N LYS A 65 1.221 46.613 12.700 1.00 0.00 N ATOM 1052 CA LYS A 65 2.528 47.203 12.432 1.00 0.00 C ATOM 1053 C LYS A 65 3.491 46.830 13.555 1.00 0.00 C ATOM 1054 O LYS A 65 4.657 47.226 13.552 1.00 0.00 O ATOM 1055 CB LYS A 65 2.421 48.725 12.334 1.00 0.00 C ATOM 1056 CG LYS A 65 3.620 49.267 11.549 1.00 0.00 C ATOM 1057 CD LYS A 65 3.475 50.780 11.370 1.00 0.00 C ATOM 1058 CE LYS A 65 3.749 51.487 12.698 1.00 0.00 C ATOM 1059 NZ LYS A 65 4.995 50.943 13.308 1.00 0.00 N1+ ATOM 0 H LYS A 65 0.921 45.919 12.016 1.00 0.00 H new ATOM 0 HA LYS A 65 2.900 46.818 11.482 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.491 49.005 11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.396 49.164 13.331 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.546 49.040 12.077 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.681 48.780 10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.170 51.134 10.609 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.471 51.020 11.020 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.850 52.560 12.536 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.908 51.345 13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.412 51.656 13.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.769 50.086 13.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.675 50.707 12.557 1.00 0.00 H new ATOM 1073 N SER A 66 2.980 46.062 14.513 1.00 0.00 N ATOM 1074 CA SER A 66 3.776 45.622 15.653 1.00 0.00 C ATOM 1075 C SER A 66 4.577 44.366 15.306 1.00 0.00 C ATOM 1076 O SER A 66 4.334 43.727 14.284 1.00 0.00 O ATOM 1077 CB SER A 66 2.853 45.343 16.838 1.00 0.00 C ATOM 1078 OG SER A 66 1.924 44.334 16.473 1.00 0.00 O ATOM 0 H SER A 66 2.015 45.731 14.522 1.00 0.00 H new ATOM 0 HA SER A 66 4.480 46.412 15.915 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.436 45.023 17.702 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.327 46.253 17.127 1.00 0.00 H new ATOM 0 HG SER A 66 1.067 44.502 16.917 1.00 0.00 H new ATOM 1084 N LYS A 67 5.546 44.031 16.155 1.00 0.00 N ATOM 1085 CA LYS A 67 6.389 42.861 15.917 1.00 0.00 C ATOM 1086 C LYS A 67 5.930 41.637 16.702 1.00 0.00 C ATOM 1087 O LYS A 67 5.452 40.663 16.129 1.00 0.00 O ATOM 1088 CB LYS A 67 7.835 43.167 16.319 1.00 0.00 C ATOM 1089 CG LYS A 67 8.674 41.890 16.194 1.00 0.00 C ATOM 1090 CD LYS A 67 10.121 42.177 16.592 1.00 0.00 C ATOM 1091 CE LYS A 67 11.018 41.038 16.099 1.00 0.00 C ATOM 1092 NZ LYS A 67 10.244 39.766 16.077 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.766 44.548 17.007 1.00 0.00 H new ATOM 0 HA LYS A 67 6.314 42.637 14.853 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.245 43.950 15.680 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.869 43.540 17.343 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.260 41.109 16.832 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.636 41.518 15.170 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.447 43.124 16.162 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.200 42.274 17.675 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.394 41.264 15.101 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.885 40.936 16.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.899 38.963 15.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.698 39.676 16.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.593 39.769 15.266 1.00 0.00 H new ATOM 1106 N GLU A 68 6.126 41.690 18.012 1.00 0.00 N ATOM 1107 CA GLU A 68 5.791 40.565 18.881 1.00 0.00 C ATOM 1108 C GLU A 68 4.313 40.194 18.802 1.00 0.00 C ATOM 1109 O GLU A 68 3.959 39.008 18.793 1.00 0.00 O ATOM 1110 CB GLU A 68 6.165 40.917 20.324 1.00 0.00 C ATOM 1111 CG GLU A 68 7.681 41.095 20.423 1.00 0.00 C ATOM 1112 CD GLU A 68 8.380 39.799 20.031 1.00 0.00 C ATOM 1113 OE1 GLU A 68 7.771 38.753 20.182 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 9.515 39.871 19.592 1.00 0.00 O ATOM 0 H GLU A 68 6.515 42.498 18.498 1.00 0.00 H new ATOM 0 HA GLU A 68 6.358 39.698 18.543 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.659 41.832 20.630 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.835 40.129 21.000 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.005 41.905 19.770 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.958 41.375 21.439 1.00 0.00 H new ATOM 1121 N ASP A 69 3.446 41.191 18.739 1.00 0.00 N ATOM 1122 CA ASP A 69 2.018 40.909 18.660 1.00 0.00 C ATOM 1123 C ASP A 69 1.699 40.131 17.388 1.00 0.00 C ATOM 1124 O ASP A 69 0.897 39.197 17.405 1.00 0.00 O ATOM 1125 CB ASP A 69 1.213 42.206 18.685 1.00 0.00 C ATOM 1126 CG ASP A 69 -0.256 41.897 18.949 1.00 0.00 C ATOM 1127 OD1 ASP A 69 -0.726 40.886 18.453 1.00 0.00 O ATOM 1128 OD2 ASP A 69 -0.889 42.672 19.647 1.00 0.00 O1- ATOM 0 H ASP A 69 3.694 42.180 18.741 1.00 0.00 H new ATOM 0 HA ASP A 69 1.743 40.306 19.525 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.599 42.870 19.459 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.319 42.729 17.735 1.00 0.00 H new ATOM 1133 N ILE A 70 2.318 40.529 16.281 1.00 0.00 N ATOM 1134 CA ILE A 70 2.075 39.861 15.007 1.00 0.00 C ATOM 1135 C ILE A 70 2.420 38.377 15.085 1.00 0.00 C ATOM 1136 O ILE A 70 1.645 37.533 14.646 1.00 0.00 O ATOM 1137 CB ILE A 70 2.882 40.525 13.892 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.345 41.940 13.661 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.753 39.698 12.613 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.086 42.608 12.498 1.00 0.00 C ATOM 0 H ILE A 70 2.983 41.301 16.239 1.00 0.00 H new ATOM 0 HA ILE A 70 1.012 39.954 14.782 1.00 0.00 H new ATOM 0 HB ILE A 70 3.933 40.581 14.174 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.277 41.900 13.446 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.465 42.534 14.567 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.328 40.169 11.816 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.135 38.692 12.790 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.705 39.642 12.320 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.693 43.613 12.346 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.150 42.665 12.729 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.943 42.021 11.591 1.00 0.00 H new ATOM 1152 N LEU A 71 3.578 38.064 15.653 1.00 0.00 N ATOM 1153 CA LEU A 71 3.980 36.666 15.776 1.00 0.00 C ATOM 1154 C LEU A 71 2.906 35.872 16.501 1.00 0.00 C ATOM 1155 O LEU A 71 2.632 34.727 16.148 1.00 0.00 O ATOM 1156 CB LEU A 71 5.316 36.534 16.508 1.00 0.00 C ATOM 1157 CG LEU A 71 6.474 36.736 15.525 1.00 0.00 C ATOM 1158 CD1 LEU A 71 6.274 38.025 14.732 1.00 0.00 C ATOM 1159 CD2 LEU A 71 7.790 36.817 16.299 1.00 0.00 C ATOM 0 H LEU A 71 4.243 38.740 16.028 1.00 0.00 H new ATOM 0 HA LEU A 71 4.105 36.264 14.771 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.375 37.271 17.309 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.390 35.551 16.973 1.00 0.00 H new ATOM 0 HG LEU A 71 6.503 35.894 14.834 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.103 38.157 14.037 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.339 37.968 14.175 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.237 38.872 15.417 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.615 36.961 15.601 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.752 37.656 16.994 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.943 35.892 16.855 1.00 0.00 H new ATOM 1171 N HIS A 72 2.286 36.487 17.501 1.00 0.00 N ATOM 1172 CA HIS A 72 1.230 35.810 18.243 1.00 0.00 C ATOM 1173 C HIS A 72 0.060 35.478 17.318 1.00 0.00 C ATOM 1174 O HIS A 72 -0.447 34.355 17.322 1.00 0.00 O ATOM 1175 CB HIS A 72 0.757 36.694 19.399 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.418 36.054 20.088 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -1.727 36.380 19.769 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -0.497 35.124 21.094 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -2.532 35.659 20.571 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -1.832 34.876 21.397 1.00 0.00 N ATOM 0 H HIS A 72 2.491 37.436 17.813 1.00 0.00 H new ATOM 0 HA HIS A 72 1.625 34.879 18.648 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.570 36.843 20.110 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.477 37.679 19.024 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.348 34.656 21.577 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.611 35.707 20.550 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -2.198 34.234 22.100 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.359 36.453 16.517 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.466 36.232 15.587 1.00 0.00 C ATOM 1191 C LYS A 73 -1.101 35.131 14.597 1.00 0.00 C ATOM 1192 O LYS A 73 -1.860 34.183 14.398 1.00 0.00 O ATOM 1193 CB LYS A 73 -1.792 37.531 14.844 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.052 38.647 15.862 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.177 38.224 16.811 1.00 0.00 C ATOM 1196 CE LYS A 73 -3.733 39.454 17.534 1.00 0.00 C ATOM 1197 NZ LYS A 73 -2.742 40.565 17.465 1.00 0.00 N1+ ATOM 0 H LYS A 73 0.042 37.390 16.491 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.347 35.920 16.148 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.965 37.806 14.189 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.667 37.391 14.210 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.144 38.856 16.428 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.325 39.568 15.346 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.971 37.729 16.251 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.802 37.503 17.537 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.673 39.763 17.077 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.949 39.210 18.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.033 41.330 18.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.805 40.213 17.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.696 40.929 16.492 1.00 0.00 H new ATOM 1211 N LEU A 74 0.066 35.261 13.976 1.00 0.00 N ATOM 1212 CA LEU A 74 0.512 34.259 13.014 1.00 0.00 C ATOM 1213 C LEU A 74 0.544 32.869 13.639 1.00 0.00 C ATOM 1214 O LEU A 74 0.131 31.897 13.009 1.00 0.00 O ATOM 1215 CB LEU A 74 1.897 34.613 12.475 1.00 0.00 C ATOM 1216 CG LEU A 74 1.765 35.603 11.319 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.776 36.714 11.674 1.00 0.00 C ATOM 1218 CD2 LEU A 74 3.134 36.213 11.015 1.00 0.00 C ATOM 0 H LEU A 74 0.712 36.038 14.118 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.202 34.251 12.191 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.506 35.046 13.268 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.407 33.711 12.137 1.00 0.00 H new ATOM 0 HG LEU A 74 1.393 35.073 10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.695 37.410 10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.202 36.279 11.880 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.129 37.247 12.557 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.042 36.920 10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.505 36.732 11.899 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.832 35.422 10.739 1.00 0.00 H new ATOM 1230 N ASN A 75 1.022 32.768 14.876 1.00 0.00 N ATOM 1231 CA ASN A 75 1.071 31.470 15.536 1.00 0.00 C ATOM 1232 C ASN A 75 -0.319 30.844 15.528 1.00 0.00 C ATOM 1233 O ASN A 75 -0.477 29.649 15.281 1.00 0.00 O ATOM 1234 CB ASN A 75 1.542 31.620 16.987 1.00 0.00 C ATOM 1235 CG ASN A 75 2.848 32.407 17.049 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.604 32.489 15.991 1.00 0.00 O flip ATOM 1237 ND2 ASN A 75 3.185 32.965 18.094 1.00 0.00 N flip ATOM 0 H ASN A 75 1.373 33.550 15.430 1.00 0.00 H new ATOM 0 HA ASN A 75 1.774 30.833 14.998 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.776 32.129 17.573 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.683 30.635 17.433 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.592 32.900 18.921 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.057 33.492 18.132 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.322 31.672 15.807 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.706 31.212 15.844 1.00 0.00 C ATOM 1246 C GLU A 76 -3.190 30.775 14.460 1.00 0.00 C ATOM 1247 O GLU A 76 -3.843 29.738 14.314 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.596 32.344 16.354 1.00 0.00 C ATOM 1249 CG GLU A 76 -4.985 31.794 16.675 1.00 0.00 C ATOM 1250 CD GLU A 76 -5.928 32.941 17.017 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -5.542 34.079 16.811 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -7.025 32.663 17.473 1.00 0.00 O ATOM 0 H GLU A 76 -1.202 32.664 16.011 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.762 30.351 16.510 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.156 32.794 17.244 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.669 33.130 15.603 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.371 31.236 15.822 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.926 31.098 17.512 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.858 31.558 13.440 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.266 31.216 12.085 1.00 0.00 C ATOM 1261 C GLN A 77 -2.461 30.022 11.591 1.00 0.00 C ATOM 1262 O GLN A 77 -2.981 29.153 10.890 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.065 32.406 11.147 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.848 33.611 11.675 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.313 33.240 11.872 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -5.963 32.754 10.947 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -5.877 33.444 13.032 1.00 0.00 N ATOM 0 H GLN A 77 -2.317 32.419 13.523 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.325 30.958 12.093 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -2.005 32.651 11.075 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.402 32.152 10.142 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.420 33.947 12.620 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.767 34.442 10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.337 33.847 13.798 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.858 33.200 13.172 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.189 29.973 11.975 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.334 28.863 11.577 1.00 0.00 C ATOM 1278 C TRP A 78 -0.989 27.553 12.002 1.00 0.00 C ATOM 1279 O TRP A 78 -1.026 26.585 11.241 1.00 0.00 O ATOM 1280 CB TRP A 78 1.037 28.990 12.245 1.00 0.00 C ATOM 1281 CG TRP A 78 2.076 28.326 11.397 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.123 27.003 11.103 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.223 28.933 10.734 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.228 26.765 10.303 1.00 0.00 N ATOM 1285 CE2 TRP A 78 3.935 27.922 10.049 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.709 30.250 10.661 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.090 28.205 9.320 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 4.872 30.540 9.927 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.560 29.517 9.259 1.00 0.00 C ATOM 0 H TRP A 78 -0.734 30.679 12.553 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.202 28.878 10.495 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.287 30.041 12.386 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.014 28.532 13.234 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.416 26.258 11.437 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.488 25.846 9.945 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.185 31.044 11.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.617 27.414 8.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.237 31.555 9.877 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.454 29.745 8.697 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.518 27.544 13.223 1.00 0.00 N ATOM 1301 CA ASN A 79 -2.192 26.366 13.750 1.00 0.00 C ATOM 1302 C ASN A 79 -3.436 26.067 12.923 1.00 0.00 C ATOM 1303 O ASN A 79 -3.796 24.910 12.712 1.00 0.00 O ATOM 1304 CB ASN A 79 -2.615 26.609 15.202 1.00 0.00 C ATOM 1305 CG ASN A 79 -1.405 26.976 16.053 1.00 0.00 C ATOM 1306 OD1 ASN A 79 -0.309 26.461 15.831 1.00 0.00 O ATOM 1307 ND2 ASN A 79 -1.542 27.838 17.024 1.00 0.00 N ATOM 0 H ASN A 79 -1.492 28.338 13.863 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.503 25.522 13.703 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.353 27.410 15.243 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.092 25.715 15.603 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.739 28.087 17.602 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.452 28.262 17.205 1.00 0.00 H new ATOM 1314 N LYS A 80 -4.103 27.130 12.484 1.00 0.00 N ATOM 1315 CA LYS A 80 -5.329 26.992 11.707 1.00 0.00 C ATOM 1316 C LYS A 80 -5.058 26.866 10.210 1.00 0.00 C ATOM 1317 O LYS A 80 -5.977 26.617 9.430 1.00 0.00 O ATOM 1318 CB LYS A 80 -6.223 28.197 11.979 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.649 28.154 13.445 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.649 29.270 13.742 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.998 29.236 15.230 1.00 0.00 C ATOM 1322 NZ LYS A 80 -8.974 30.315 15.547 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.816 28.094 12.653 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.825 26.072 12.016 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.689 29.123 11.765 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.097 28.176 11.328 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.096 27.186 13.672 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.775 28.260 14.088 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.224 30.238 13.476 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.549 29.141 13.140 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.419 28.265 15.492 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.095 29.364 15.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.207 30.286 16.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.558 31.239 15.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.840 30.175 14.989 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.804 27.026 9.806 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.462 26.911 8.392 1.00 0.00 C ATOM 1338 C ASP A 81 -2.541 25.716 8.163 1.00 0.00 C ATOM 1339 O ASP A 81 -1.468 25.914 7.616 1.00 0.00 O ATOM 1340 CB ASP A 81 -2.780 28.189 7.899 1.00 0.00 C ATOM 1341 CG ASP A 81 -3.594 29.409 8.314 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -4.491 29.251 9.126 1.00 0.00 O ATOM 1343 OD2 ASP A 81 -3.310 30.485 7.813 1.00 0.00 O1- ATOM 1344 OXT ASP A 81 -2.923 24.620 8.538 1.00 0.00 O ATOM 0 H ASP A 81 -3.019 27.232 10.424 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.384 26.763 7.830 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.773 28.256 8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.679 28.161 6.814 1.00 0.00 H new