USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 28 ASN : amide:sc= -8.98! C(o=-11!,f=-20!) USER MOD Set 1.2: A 30 GLN : amide:sc= -1.96 K(o=-11,f=-19!) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 178:sc= -5.25! (180deg=-4.05!) USER MOD Set 2.2: A 51 HIS : no HE2:sc= -7.92! C(o=-13!,f=-16!) USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00749) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0494 USER MOD Single : A 15 ASN : amide:sc= -3.27! C(o=-3.3!,f=-5.7!) USER MOD Single : A 16 GLN : amide:sc= -8.47! C(o=-8.5!,f=-8.2!) USER MOD Single : A 19 GLN :FLIP amide:sc= -7.97! C(o=-11!,f=-8!) 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= -3 K(o=-3,f=-7.9!) USER MOD Single : A 46 GLN :FLIP amide:sc= -0.0104 F(o=-1.1,f=-0.01) USER MOD Single : A 52 LYS NZ :NH3+ 143:sc= -0.193 (180deg=-0.988) USER MOD Single : A 57 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-7!) USER MOD Single : A 60 MET CE :methyl -173:sc= -0.0676 (180deg=-0.144) USER MOD Single : A 61 CYS SG : rot -78:sc= -2.38! USER MOD Single : A 63 LYS NZ :NH3+ -143:sc= -0.0249 (180deg=-0.253) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -54:sc= -2.03! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -3.34! C(o=-3.3!,f=-9.7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -4.43! C(o=-4.4!,f=-5.9!) USER MOD Single : A 77 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.14) USER MOD Single : A 79 ASN :FLIP amide:sc= -7.28! C(o=-13!,f=-7.3!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N LYS A 8 3.458 50.116 1.673 1.00 0.00 N ATOM 93 CA LYS A 8 3.705 48.742 2.090 1.00 0.00 C ATOM 94 C LYS A 8 5.190 48.532 2.356 1.00 0.00 C ATOM 95 O LYS A 8 6.009 49.397 2.054 1.00 0.00 O ATOM 96 CB LYS A 8 3.235 47.774 1.004 1.00 0.00 C ATOM 97 CG LYS A 8 1.722 47.901 0.839 1.00 0.00 C ATOM 98 CD LYS A 8 1.223 46.844 -0.148 1.00 0.00 C ATOM 99 CE LYS A 8 -0.287 46.997 -0.331 1.00 0.00 C ATOM 100 NZ LYS A 8 -0.991 46.374 0.825 1.00 0.00 N1+ ATOM 0 HA LYS A 8 3.149 48.550 3.008 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.736 47.995 0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.499 46.751 1.273 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.229 47.775 1.803 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.468 48.898 0.479 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.730 46.956 -1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.457 45.846 0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.550 48.052 -0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.602 46.523 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.019 46.432 0.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.709 45.376 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.738 46.878 1.699 1.00 0.00 H new ATOM 114 N PHE A 9 5.535 47.380 2.914 1.00 0.00 N ATOM 115 CA PHE A 9 6.930 47.088 3.195 1.00 0.00 C ATOM 116 C PHE A 9 7.640 46.680 1.915 1.00 0.00 C ATOM 117 O PHE A 9 7.051 46.036 1.047 1.00 0.00 O ATOM 118 CB PHE A 9 7.036 45.981 4.244 1.00 0.00 C ATOM 119 CG PHE A 9 6.589 46.542 5.567 1.00 0.00 C ATOM 120 CD1 PHE A 9 7.444 47.388 6.282 1.00 0.00 C ATOM 121 CD2 PHE A 9 5.321 46.239 6.072 1.00 0.00 C ATOM 122 CE1 PHE A 9 7.033 47.927 7.505 1.00 0.00 C ATOM 123 CE2 PHE A 9 4.909 46.781 7.294 1.00 0.00 C ATOM 124 CZ PHE A 9 5.764 47.625 8.010 1.00 0.00 C ATOM 0 H PHE A 9 4.879 46.644 3.177 1.00 0.00 H new ATOM 0 HA PHE A 9 7.409 47.984 3.591 1.00 0.00 H new ATOM 0 HB2 PHE A 9 6.415 45.130 3.963 1.00 0.00 H new ATOM 0 HB3 PHE A 9 8.062 45.619 4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.422 47.625 5.889 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.660 45.587 5.519 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.695 48.576 8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.930 46.547 7.685 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.444 48.044 8.953 1.00 0.00 H new ATOM 134 N THR A 10 8.903 47.062 1.796 1.00 0.00 N ATOM 135 CA THR A 10 9.670 46.729 0.607 1.00 0.00 C ATOM 136 C THR A 10 10.198 45.313 0.716 1.00 0.00 C ATOM 137 O THR A 10 10.286 44.762 1.809 1.00 0.00 O ATOM 138 CB THR A 10 10.843 47.697 0.450 1.00 0.00 C ATOM 139 OG1 THR A 10 11.738 47.531 1.542 1.00 0.00 O ATOM 140 CG2 THR A 10 10.321 49.136 0.419 1.00 0.00 C ATOM 0 H THR A 10 9.413 47.596 2.500 1.00 0.00 H new ATOM 0 HA THR A 10 9.019 46.809 -0.264 1.00 0.00 H new ATOM 0 HB THR A 10 11.368 47.489 -0.482 1.00 0.00 H new ATOM 0 HG1 THR A 10 12.492 48.149 1.444 1.00 0.00 H new ATOM 0 HG21 THR A 10 11.159 49.825 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.637 49.257 -0.421 1.00 0.00 H new ATOM 0 HG23 THR A 10 9.795 49.352 1.349 1.00 0.00 H new ATOM 148 N ASP A 11 10.545 44.727 -0.417 1.00 0.00 N ATOM 149 CA ASP A 11 11.059 43.370 -0.414 1.00 0.00 C ATOM 150 C ASP A 11 12.238 43.253 0.544 1.00 0.00 C ATOM 151 O ASP A 11 12.350 42.275 1.282 1.00 0.00 O ATOM 152 CB ASP A 11 11.478 42.963 -1.824 1.00 0.00 C ATOM 153 CG ASP A 11 10.239 42.683 -2.670 1.00 0.00 C ATOM 154 OD1 ASP A 11 9.185 42.479 -2.090 1.00 0.00 O ATOM 155 OD2 ASP A 11 10.362 42.675 -3.883 1.00 0.00 O1- ATOM 0 H ASP A 11 10.482 45.162 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 11 10.270 42.698 -0.076 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.070 43.756 -2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.110 42.076 -1.784 1.00 0.00 H new ATOM 160 N ASP A 12 13.110 44.260 0.555 1.00 0.00 N ATOM 161 CA ASP A 12 14.253 44.225 1.457 1.00 0.00 C ATOM 162 C ASP A 12 13.776 44.286 2.902 1.00 0.00 C ATOM 163 O ASP A 12 14.191 43.484 3.736 1.00 0.00 O ATOM 164 CB ASP A 12 15.196 45.394 1.178 1.00 0.00 C ATOM 165 CG ASP A 12 15.878 45.204 -0.171 1.00 0.00 C ATOM 166 OD1 ASP A 12 15.646 44.180 -0.792 1.00 0.00 O1- ATOM 167 OD2 ASP A 12 16.621 46.088 -0.566 1.00 0.00 O ATOM 0 H ASP A 12 13.049 45.089 -0.036 1.00 0.00 H new ATOM 0 HA ASP A 12 14.793 43.293 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 14.639 46.331 1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 12 15.945 45.464 1.967 1.00 0.00 H new ATOM 172 N GLU A 13 12.880 45.227 3.185 1.00 0.00 N ATOM 173 CA GLU A 13 12.336 45.366 4.529 1.00 0.00 C ATOM 174 C GLU A 13 11.548 44.120 4.892 1.00 0.00 C ATOM 175 O GLU A 13 11.590 43.636 6.023 1.00 0.00 O ATOM 176 CB GLU A 13 11.415 46.580 4.585 1.00 0.00 C ATOM 177 CG GLU A 13 12.249 47.860 4.519 1.00 0.00 C ATOM 178 CD GLU A 13 11.335 49.078 4.575 1.00 0.00 C ATOM 179 OE1 GLU A 13 10.144 48.907 4.373 1.00 0.00 O ATOM 180 OE2 GLU A 13 11.837 50.162 4.821 1.00 0.00 O1- ATOM 0 H GLU A 13 12.519 45.898 2.507 1.00 0.00 H new ATOM 0 HA GLU A 13 13.155 45.497 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.708 46.551 3.756 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.829 46.563 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.956 47.887 5.348 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.835 47.876 3.600 1.00 0.00 H new ATOM 187 N TRP A 14 10.830 43.611 3.908 1.00 0.00 N ATOM 188 CA TRP A 14 10.028 42.426 4.097 1.00 0.00 C ATOM 189 C TRP A 14 10.927 41.243 4.430 1.00 0.00 C ATOM 190 O TRP A 14 10.653 40.489 5.361 1.00 0.00 O ATOM 191 CB TRP A 14 9.230 42.172 2.824 1.00 0.00 C ATOM 192 CG TRP A 14 7.972 41.441 3.138 1.00 0.00 C ATOM 193 CD1 TRP A 14 7.576 40.316 2.516 1.00 0.00 C ATOM 194 CD2 TRP A 14 6.936 41.764 4.116 1.00 0.00 C ATOM 195 NE1 TRP A 14 6.361 39.916 3.043 1.00 0.00 N ATOM 196 CE2 TRP A 14 5.927 40.776 4.034 1.00 0.00 C ATOM 197 CE3 TRP A 14 6.769 42.802 5.056 1.00 0.00 C ATOM 198 CZ2 TRP A 14 4.798 40.812 4.851 1.00 0.00 C ATOM 199 CZ3 TRP A 14 5.633 42.839 5.879 1.00 0.00 C ATOM 200 CH2 TRP A 14 4.651 41.846 5.777 1.00 0.00 C ATOM 0 H TRP A 14 10.789 44.005 2.968 1.00 0.00 H new ATOM 0 HA TRP A 14 9.336 42.562 4.928 1.00 0.00 H new ATOM 0 HB2 TRP A 14 8.996 43.119 2.339 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.829 41.593 2.121 1.00 0.00 H new ATOM 0 HD1 TRP A 14 8.118 39.808 1.733 1.00 0.00 H new ATOM 0 HE1 TRP A 14 5.849 39.088 2.738 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.520 43.573 5.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.042 40.045 4.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.515 43.638 6.596 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.780 41.880 6.415 1.00 0.00 H new ATOM 211 N ASN A 15 12.009 41.089 3.676 1.00 0.00 N ATOM 212 CA ASN A 15 12.945 39.997 3.915 1.00 0.00 C ATOM 213 C ASN A 15 13.420 40.011 5.362 1.00 0.00 C ATOM 214 O ASN A 15 13.543 38.963 5.999 1.00 0.00 O ATOM 215 CB ASN A 15 14.153 40.151 2.999 1.00 0.00 C ATOM 216 CG ASN A 15 13.719 40.104 1.538 1.00 0.00 C ATOM 217 OD1 ASN A 15 12.562 39.806 1.239 1.00 0.00 O ATOM 218 ND2 ASN A 15 14.589 40.374 0.604 1.00 0.00 N ATOM 0 H ASN A 15 12.259 41.701 2.900 1.00 0.00 H new ATOM 0 HA ASN A 15 12.437 39.054 3.712 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.656 41.095 3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.872 39.356 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 15 14.312 40.339 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 15 15.546 40.621 0.855 1.00 0.00 H new ATOM 225 N GLN A 16 13.663 41.210 5.881 1.00 0.00 N ATOM 226 CA GLN A 16 14.099 41.346 7.265 1.00 0.00 C ATOM 227 C GLN A 16 12.987 40.858 8.183 1.00 0.00 C ATOM 228 O GLN A 16 13.236 40.141 9.155 1.00 0.00 O ATOM 229 CB GLN A 16 14.436 42.805 7.588 1.00 0.00 C ATOM 230 CG GLN A 16 15.839 43.133 7.071 1.00 0.00 C ATOM 231 CD GLN A 16 15.806 43.375 5.568 1.00 0.00 C ATOM 232 OE1 GLN A 16 15.608 44.505 5.122 1.00 0.00 O ATOM 233 NE2 GLN A 16 15.980 42.371 4.755 1.00 0.00 N ATOM 0 H GLN A 16 13.567 42.089 5.373 1.00 0.00 H new ATOM 0 HA GLN A 16 14.998 40.748 7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.703 43.469 7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.386 42.971 8.664 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.224 44.017 7.580 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.519 42.312 7.299 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.144 41.436 5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.952 42.521 3.746 1.00 0.00 H new ATOM 242 N LEU A 17 11.755 41.238 7.849 1.00 0.00 N ATOM 243 CA LEU A 17 10.598 40.820 8.631 1.00 0.00 C ATOM 244 C LEU A 17 10.448 39.306 8.566 1.00 0.00 C ATOM 245 O LEU A 17 10.064 38.669 9.548 1.00 0.00 O ATOM 246 CB LEU A 17 9.318 41.473 8.099 1.00 0.00 C ATOM 247 CG LEU A 17 8.133 41.069 8.983 1.00 0.00 C ATOM 248 CD1 LEU A 17 8.246 41.765 10.338 1.00 0.00 C ATOM 249 CD2 LEU A 17 6.826 41.483 8.302 1.00 0.00 C ATOM 0 H LEU A 17 11.535 41.830 7.048 1.00 0.00 H new ATOM 0 HA LEU A 17 10.754 41.133 9.663 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.426 42.558 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.140 41.163 7.069 1.00 0.00 H new ATOM 0 HG LEU A 17 8.140 39.989 9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.403 41.477 10.966 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.177 41.470 10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.239 42.845 10.194 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.982 41.196 8.929 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.819 42.563 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.745 40.985 7.336 1.00 0.00 H new ATOM 261 N LYS A 18 10.756 38.730 7.402 1.00 0.00 N ATOM 262 CA LYS A 18 10.656 37.287 7.224 1.00 0.00 C ATOM 263 C LYS A 18 11.569 36.558 8.193 1.00 0.00 C ATOM 264 O LYS A 18 11.156 35.600 8.845 1.00 0.00 O ATOM 265 CB LYS A 18 11.044 36.916 5.795 1.00 0.00 C ATOM 266 CG LYS A 18 9.964 37.408 4.839 1.00 0.00 C ATOM 267 CD LYS A 18 10.298 36.966 3.417 1.00 0.00 C ATOM 268 CE LYS A 18 9.294 37.579 2.445 1.00 0.00 C ATOM 269 NZ LYS A 18 8.670 36.495 1.634 1.00 0.00 N1+ ATOM 0 H LYS A 18 11.074 39.239 6.577 1.00 0.00 H new ATOM 0 HA LYS A 18 9.626 36.990 7.420 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.005 37.363 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.161 35.836 5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.993 37.010 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.891 38.495 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.310 37.277 3.156 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.271 35.879 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.527 38.126 2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.793 38.296 1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.960 36.905 0.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.403 36.013 1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.210 35.809 2.266 1.00 0.00 H new ATOM 283 N GLN A 19 12.810 37.015 8.287 1.00 0.00 N ATOM 284 CA GLN A 19 13.765 36.386 9.185 1.00 0.00 C ATOM 285 C GLN A 19 13.255 36.447 10.618 1.00 0.00 C ATOM 286 O GLN A 19 13.396 35.489 11.376 1.00 0.00 O ATOM 287 CB GLN A 19 15.122 37.091 9.093 1.00 0.00 C ATOM 288 CG GLN A 19 15.891 36.612 7.855 1.00 0.00 C ATOM 289 CD GLN A 19 14.983 36.585 6.627 1.00 0.00 C ATOM 290 OE1 GLN A 19 14.080 35.650 6.507 1.00 0.00 O flip ATOM 291 NE2 GLN A 19 15.112 37.434 5.743 1.00 0.00 N flip ATOM 0 H GLN A 19 13.175 37.808 7.760 1.00 0.00 H new ATOM 0 HA GLN A 19 13.884 35.343 8.890 1.00 0.00 H new ATOM 0 HB2 GLN A 19 14.976 38.170 9.043 1.00 0.00 H new ATOM 0 HB3 GLN A 19 15.705 36.890 9.992 1.00 0.00 H new ATOM 0 HG2 GLN A 19 16.739 37.271 7.671 1.00 0.00 H new ATOM 0 HG3 GLN A 19 16.295 35.616 8.036 1.00 0.00 H new ATOM 0 HE21 GLN A 19 15.818 38.165 5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.513 37.406 4.918 1.00 0.00 H new ATOM 300 N ASP A 20 12.663 37.580 10.986 1.00 0.00 N ATOM 301 CA ASP A 20 12.137 37.753 12.334 1.00 0.00 C ATOM 302 C ASP A 20 10.996 36.778 12.610 1.00 0.00 C ATOM 303 O ASP A 20 10.971 36.114 13.644 1.00 0.00 O ATOM 304 CB ASP A 20 11.630 39.183 12.512 1.00 0.00 C ATOM 305 CG ASP A 20 12.793 40.162 12.434 1.00 0.00 C ATOM 306 OD1 ASP A 20 13.923 39.718 12.550 1.00 0.00 O ATOM 307 OD2 ASP A 20 12.537 41.341 12.256 1.00 0.00 O1- ATOM 0 H ASP A 20 12.537 38.386 10.374 1.00 0.00 H new ATOM 0 HA ASP A 20 12.944 37.553 13.039 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.896 39.416 11.741 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.125 39.281 13.473 1.00 0.00 H new ATOM 312 N PHE A 21 10.046 36.693 11.683 1.00 0.00 N ATOM 313 CA PHE A 21 8.918 35.790 11.862 1.00 0.00 C ATOM 314 C PHE A 21 9.414 34.357 11.925 1.00 0.00 C ATOM 315 O PHE A 21 9.005 33.582 12.785 1.00 0.00 O ATOM 316 CB PHE A 21 7.920 35.943 10.714 1.00 0.00 C ATOM 317 CG PHE A 21 7.065 37.174 10.925 1.00 0.00 C ATOM 318 CD1 PHE A 21 7.558 38.271 11.648 1.00 0.00 C ATOM 319 CD2 PHE A 21 5.775 37.220 10.388 1.00 0.00 C ATOM 320 CE1 PHE A 21 6.761 39.408 11.827 1.00 0.00 C ATOM 321 CE2 PHE A 21 4.980 38.360 10.565 1.00 0.00 C ATOM 322 CZ PHE A 21 5.474 39.452 11.285 1.00 0.00 C ATOM 0 H PHE A 21 10.035 37.229 10.815 1.00 0.00 H new ATOM 0 HA PHE A 21 8.415 36.041 12.796 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.453 36.020 9.767 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.287 35.058 10.652 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.553 38.238 12.067 1.00 0.00 H new ATOM 0 HD2 PHE A 21 5.391 36.375 9.836 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.141 40.251 12.384 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.986 38.395 10.145 1.00 0.00 H new ATOM 0 HZ PHE A 21 4.860 40.330 11.422 1.00 0.00 H new ATOM 332 N ILE A 22 10.320 34.019 11.021 1.00 0.00 N ATOM 333 CA ILE A 22 10.884 32.682 10.999 1.00 0.00 C ATOM 334 C ILE A 22 11.519 32.375 12.350 1.00 0.00 C ATOM 335 O ILE A 22 11.235 31.347 12.964 1.00 0.00 O ATOM 336 CB ILE A 22 11.924 32.576 9.883 1.00 0.00 C ATOM 337 CG1 ILE A 22 11.219 32.667 8.529 1.00 0.00 C ATOM 338 CG2 ILE A 22 12.659 31.240 9.983 1.00 0.00 C ATOM 339 CD1 ILE A 22 12.261 32.789 7.414 1.00 0.00 C ATOM 0 H ILE A 22 10.677 34.646 10.300 1.00 0.00 H new ATOM 0 HA ILE A 22 10.094 31.956 10.807 1.00 0.00 H new ATOM 0 HB ILE A 22 12.644 33.389 9.981 1.00 0.00 H new ATOM 0 HG12 ILE A 22 10.602 31.783 8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.551 33.529 8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 22 13.398 31.171 9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 22 13.160 31.172 10.949 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.944 30.423 9.887 1.00 0.00 H new ATOM 0 HD11 ILE A 22 11.756 32.854 6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.859 33.687 7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.910 31.914 7.426 1.00 0.00 H new ATOM 351 N SER A 23 12.373 33.276 12.817 1.00 0.00 N ATOM 352 CA SER A 23 13.027 33.080 14.102 1.00 0.00 C ATOM 353 C SER A 23 11.988 32.881 15.202 1.00 0.00 C ATOM 354 O SER A 23 12.202 32.109 16.135 1.00 0.00 O ATOM 355 CB SER A 23 13.910 34.283 14.431 1.00 0.00 C ATOM 356 OG SER A 23 14.730 33.968 15.548 1.00 0.00 O ATOM 0 H SER A 23 12.626 34.137 12.333 1.00 0.00 H new ATOM 0 HA SER A 23 13.650 32.187 14.042 1.00 0.00 H new ATOM 0 HB2 SER A 23 14.529 34.541 13.572 1.00 0.00 H new ATOM 0 HB3 SER A 23 13.292 35.153 14.652 1.00 0.00 H new ATOM 0 HG SER A 23 15.300 34.736 15.762 1.00 0.00 H new ATOM 362 N GLY A 24 10.863 33.575 15.081 1.00 0.00 N ATOM 363 CA GLY A 24 9.795 33.458 16.069 1.00 0.00 C ATOM 364 C GLY A 24 9.289 32.021 16.166 1.00 0.00 C ATOM 365 O GLY A 24 9.050 31.506 17.260 1.00 0.00 O ATOM 0 H GLY A 24 10.666 34.220 14.316 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.159 33.785 17.043 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.972 34.119 15.799 1.00 0.00 H new ATOM 369 N ILE A 25 9.133 31.377 15.015 1.00 0.00 N ATOM 370 CA ILE A 25 8.655 29.998 14.968 1.00 0.00 C ATOM 371 C ILE A 25 9.742 29.023 15.387 1.00 0.00 C ATOM 372 O ILE A 25 9.453 27.909 15.822 1.00 0.00 O ATOM 373 CB ILE A 25 8.194 29.666 13.544 1.00 0.00 C ATOM 374 CG1 ILE A 25 6.771 30.195 13.314 1.00 0.00 C ATOM 375 CG2 ILE A 25 8.217 28.153 13.326 1.00 0.00 C ATOM 376 CD1 ILE A 25 6.797 31.308 12.269 1.00 0.00 C ATOM 0 H ILE A 25 9.330 31.786 14.102 1.00 0.00 H new ATOM 0 HA ILE A 25 7.822 29.902 15.665 1.00 0.00 H new ATOM 0 HB ILE A 25 8.873 30.142 12.837 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.121 29.386 12.981 1.00 0.00 H new ATOM 0 HG13 ILE A 25 6.357 30.571 14.250 1.00 0.00 H new ATOM 0 HG21 ILE A 25 7.888 27.926 12.312 1.00 0.00 H new ATOM 0 HG22 ILE A 25 9.231 27.780 13.470 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.548 27.672 14.040 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.785 31.680 12.109 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.432 32.122 12.620 1.00 0.00 H new ATOM 0 HD13 ILE A 25 7.192 30.918 11.331 1.00 0.00 H new ATOM 388 N LEU A 26 10.992 29.437 15.246 1.00 0.00 N ATOM 389 CA LEU A 26 12.105 28.571 15.611 1.00 0.00 C ATOM 390 C LEU A 26 12.536 28.804 17.060 1.00 0.00 C ATOM 391 O LEU A 26 13.052 27.900 17.714 1.00 0.00 O ATOM 392 CB LEU A 26 13.270 28.797 14.642 1.00 0.00 C ATOM 393 CG LEU A 26 14.372 29.635 15.298 1.00 0.00 C ATOM 394 CD1 LEU A 26 15.134 28.788 16.320 1.00 0.00 C ATOM 395 CD2 LEU A 26 15.349 30.114 14.219 1.00 0.00 C ATOM 0 H LEU A 26 11.260 30.353 14.887 1.00 0.00 H new ATOM 0 HA LEU A 26 11.782 27.533 15.536 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.677 27.836 14.326 1.00 0.00 H new ATOM 0 HB3 LEU A 26 12.910 29.301 13.745 1.00 0.00 H new ATOM 0 HG LEU A 26 13.921 30.490 15.802 1.00 0.00 H new ATOM 0 HD11 LEU A 26 15.916 29.391 16.782 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.445 28.437 17.088 1.00 0.00 H new ATOM 0 HD13 LEU A 26 15.585 27.932 15.819 1.00 0.00 H new ATOM 0 HD21 LEU A 26 16.136 30.711 14.680 1.00 0.00 H new ATOM 0 HD22 LEU A 26 15.792 29.252 13.721 1.00 0.00 H new ATOM 0 HD23 LEU A 26 14.815 30.720 13.488 1.00 0.00 H new ATOM 407 N GLU A 27 12.287 30.008 17.566 1.00 0.00 N ATOM 408 CA GLU A 27 12.630 30.324 18.952 1.00 0.00 C ATOM 409 C GLU A 27 11.601 29.734 19.918 1.00 0.00 C ATOM 410 O GLU A 27 11.934 29.379 21.049 1.00 0.00 O ATOM 411 CB GLU A 27 12.726 31.838 19.150 1.00 0.00 C ATOM 412 CG GLU A 27 13.993 32.366 18.473 1.00 0.00 C ATOM 413 CD GLU A 27 15.228 31.732 19.104 1.00 0.00 C ATOM 414 OE1 GLU A 27 15.128 31.283 20.235 1.00 0.00 O ATOM 415 OE2 GLU A 27 16.255 31.700 18.447 1.00 0.00 O1- ATOM 0 H GLU A 27 11.855 30.773 17.047 1.00 0.00 H new ATOM 0 HA GLU A 27 13.601 29.878 19.167 1.00 0.00 H new ATOM 0 HB2 GLU A 27 11.847 32.326 18.730 1.00 0.00 H new ATOM 0 HB3 GLU A 27 12.744 32.075 20.214 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.965 32.143 17.407 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.042 33.451 18.570 1.00 0.00 H new ATOM 422 N ASN A 28 10.347 29.641 19.470 1.00 0.00 N ATOM 423 CA ASN A 28 9.281 29.102 20.315 1.00 0.00 C ATOM 424 C ASN A 28 8.962 27.646 19.969 1.00 0.00 C ATOM 425 O ASN A 28 9.601 27.035 19.111 1.00 0.00 O ATOM 426 CB ASN A 28 8.017 29.944 20.162 1.00 0.00 C ATOM 427 CG ASN A 28 7.642 30.043 18.692 1.00 0.00 C ATOM 428 OD1 ASN A 28 8.204 29.331 17.860 1.00 0.00 O ATOM 429 ND2 ASN A 28 6.724 30.893 18.319 1.00 0.00 N ATOM 0 H ASN A 28 10.048 29.928 18.538 1.00 0.00 H new ATOM 0 HA ASN A 28 9.632 29.138 21.346 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.199 29.496 20.726 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.180 30.940 20.574 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.470 30.969 17.334 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.261 31.481 19.012 1.00 0.00 H new ATOM 436 N GLU A 29 7.961 27.103 20.655 1.00 0.00 N ATOM 437 CA GLU A 29 7.540 25.721 20.443 1.00 0.00 C ATOM 438 C GLU A 29 6.996 25.514 19.030 1.00 0.00 C ATOM 439 O GLU A 29 7.017 24.400 18.505 1.00 0.00 O ATOM 440 CB GLU A 29 6.462 25.350 21.462 1.00 0.00 C ATOM 441 CG GLU A 29 6.200 23.844 21.403 1.00 0.00 C ATOM 442 CD GLU A 29 7.450 23.093 21.845 1.00 0.00 C ATOM 443 OE1 GLU A 29 8.242 23.677 22.566 1.00 0.00 O ATOM 444 OE2 GLU A 29 7.598 21.945 21.457 1.00 0.00 O1- ATOM 0 H GLU A 29 7.424 27.601 21.365 1.00 0.00 H new ATOM 0 HA GLU A 29 8.412 25.080 20.571 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.781 25.635 22.465 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.544 25.898 21.251 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.360 23.585 22.048 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.926 23.551 20.389 1.00 0.00 H new ATOM 451 N GLN A 30 6.495 26.591 18.430 1.00 0.00 N ATOM 452 CA GLN A 30 5.929 26.527 17.081 1.00 0.00 C ATOM 453 C GLN A 30 6.900 25.860 16.102 1.00 0.00 C ATOM 454 O GLN A 30 6.518 25.467 14.996 1.00 0.00 O ATOM 455 CB GLN A 30 5.602 27.940 16.592 1.00 0.00 C ATOM 456 CG GLN A 30 4.189 28.332 17.035 1.00 0.00 C ATOM 457 CD GLN A 30 4.158 28.548 18.543 1.00 0.00 C ATOM 458 OE1 GLN A 30 4.645 29.567 19.035 1.00 0.00 O ATOM 459 NE2 GLN A 30 3.615 27.644 19.312 1.00 0.00 N ATOM 0 H GLN A 30 6.468 27.518 18.854 1.00 0.00 H new ATOM 0 HA GLN A 30 5.019 25.928 17.123 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.327 28.649 16.991 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.677 27.985 15.506 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.877 29.242 16.522 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.482 27.551 16.756 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.212 26.801 18.902 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.593 27.780 20.323 1.00 0.00 H new ATOM 468 N LYS A 31 8.158 25.742 16.505 1.00 0.00 N ATOM 469 CA LYS A 31 9.165 25.128 15.648 1.00 0.00 C ATOM 470 C LYS A 31 8.746 23.720 15.235 1.00 0.00 C ATOM 471 O LYS A 31 8.945 23.309 14.091 1.00 0.00 O ATOM 472 CB LYS A 31 10.499 25.058 16.385 1.00 0.00 C ATOM 473 CG LYS A 31 11.582 24.566 15.425 1.00 0.00 C ATOM 474 CD LYS A 31 12.884 24.355 16.197 1.00 0.00 C ATOM 475 CE LYS A 31 14.055 24.306 15.219 1.00 0.00 C ATOM 476 NZ LYS A 31 15.326 24.143 15.980 1.00 0.00 N1+ ATOM 0 H LYS A 31 8.504 26.060 17.410 1.00 0.00 H new ATOM 0 HA LYS A 31 9.267 25.741 14.752 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.763 26.040 16.777 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.421 24.385 17.239 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.270 23.634 14.954 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.733 25.292 14.626 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.029 25.163 16.914 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.834 23.428 16.768 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.927 23.478 14.521 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.087 25.220 14.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.126 24.109 15.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.448 24.947 16.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.292 23.259 16.527 1.00 0.00 H new ATOM 490 N ASP A 32 8.161 22.980 16.171 1.00 0.00 N ATOM 491 CA ASP A 32 7.715 21.622 15.880 1.00 0.00 C ATOM 492 C ASP A 32 6.697 21.635 14.753 1.00 0.00 C ATOM 493 O ASP A 32 6.716 20.776 13.870 1.00 0.00 O ATOM 494 CB ASP A 32 7.093 20.986 17.124 1.00 0.00 C ATOM 495 CG ASP A 32 8.176 20.672 18.148 1.00 0.00 C ATOM 496 OD1 ASP A 32 9.339 20.854 17.826 1.00 0.00 O ATOM 497 OD2 ASP A 32 7.829 20.248 19.238 1.00 0.00 O1- ATOM 0 H ASP A 32 7.986 23.292 17.126 1.00 0.00 H new ATOM 0 HA ASP A 32 8.581 21.034 15.576 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.356 21.662 17.558 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.565 20.073 16.850 1.00 0.00 H new ATOM 502 N LEU A 33 5.815 22.624 14.785 1.00 0.00 N ATOM 503 CA LEU A 33 4.798 22.751 13.756 1.00 0.00 C ATOM 504 C LEU A 33 5.451 22.910 12.388 1.00 0.00 C ATOM 505 O LEU A 33 4.992 22.330 11.404 1.00 0.00 O ATOM 506 CB LEU A 33 3.902 23.950 14.065 1.00 0.00 C ATOM 507 CG LEU A 33 2.873 23.549 15.125 1.00 0.00 C ATOM 508 CD1 LEU A 33 3.585 22.998 16.362 1.00 0.00 C ATOM 509 CD2 LEU A 33 2.043 24.771 15.519 1.00 0.00 C ATOM 0 H LEU A 33 5.784 23.344 15.507 1.00 0.00 H new ATOM 0 HA LEU A 33 4.187 21.848 13.741 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.503 24.786 14.422 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.397 24.285 13.159 1.00 0.00 H new ATOM 0 HG LEU A 33 2.220 22.779 14.714 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.846 22.715 17.111 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.173 22.123 16.084 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.244 23.763 16.773 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.310 24.485 16.274 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.699 25.541 15.924 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.527 25.159 14.641 1.00 0.00 H new ATOM 521 N VAL A 34 6.536 23.678 12.333 1.00 0.00 N ATOM 522 CA VAL A 34 7.244 23.874 11.068 1.00 0.00 C ATOM 523 C VAL A 34 7.832 22.554 10.577 1.00 0.00 C ATOM 524 O VAL A 34 7.766 22.241 9.389 1.00 0.00 O ATOM 525 CB VAL A 34 8.351 24.933 11.227 1.00 0.00 C ATOM 526 CG1 VAL A 34 9.714 24.365 10.809 1.00 0.00 C ATOM 527 CG2 VAL A 34 8.022 26.137 10.339 1.00 0.00 C ATOM 0 H VAL A 34 6.939 24.167 13.132 1.00 0.00 H new ATOM 0 HA VAL A 34 6.531 24.232 10.325 1.00 0.00 H new ATOM 0 HB VAL A 34 8.401 25.231 12.274 1.00 0.00 H new ATOM 0 HG11 VAL A 34 10.480 25.131 10.930 1.00 0.00 H new ATOM 0 HG12 VAL A 34 9.958 23.506 11.435 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.674 24.054 9.765 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.801 26.892 10.446 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.967 25.817 9.298 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.064 26.560 10.640 1.00 0.00 H new ATOM 537 N ALA A 35 8.411 21.790 11.496 1.00 0.00 N ATOM 538 CA ALA A 35 9.013 20.511 11.135 1.00 0.00 C ATOM 539 C ALA A 35 7.960 19.537 10.629 1.00 0.00 C ATOM 540 O ALA A 35 8.159 18.872 9.620 1.00 0.00 O ATOM 541 CB ALA A 35 9.725 19.903 12.342 1.00 0.00 C ATOM 0 H ALA A 35 8.477 22.029 12.485 1.00 0.00 H new ATOM 0 HA ALA A 35 9.735 20.694 10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.170 18.949 12.059 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.507 20.581 12.683 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.007 19.744 13.146 1.00 0.00 H new ATOM 689 N ASN A 45 11.969 26.317 7.897 1.00 0.00 N ATOM 690 CA ASN A 45 10.658 26.868 8.231 1.00 0.00 C ATOM 691 C ASN A 45 9.816 27.093 6.981 1.00 0.00 C ATOM 692 O ASN A 45 8.958 27.974 6.952 1.00 0.00 O ATOM 693 CB ASN A 45 10.825 28.190 8.983 1.00 0.00 C ATOM 694 CG ASN A 45 11.420 27.928 10.365 1.00 0.00 C ATOM 695 OD1 ASN A 45 10.721 27.460 11.264 1.00 0.00 O ATOM 696 ND2 ASN A 45 12.675 28.195 10.588 1.00 0.00 N ATOM 0 HA ASN A 45 10.142 26.147 8.865 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.474 28.860 8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.860 28.688 9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.079 28.016 11.507 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.254 28.583 9.843 1.00 0.00 H new ATOM 703 N GLN A 46 10.055 26.287 5.954 1.00 0.00 N ATOM 704 CA GLN A 46 9.299 26.406 4.714 1.00 0.00 C ATOM 705 C GLN A 46 9.508 27.779 4.082 1.00 0.00 C ATOM 706 O GLN A 46 8.542 28.438 3.696 1.00 0.00 O ATOM 707 CB GLN A 46 7.810 26.238 4.988 1.00 0.00 C ATOM 708 CG GLN A 46 7.582 25.105 5.981 1.00 0.00 C ATOM 709 CD GLN A 46 6.126 25.122 6.426 1.00 0.00 C ATOM 710 OE1 GLN A 46 5.210 25.542 5.596 1.00 0.00 O flip ATOM 711 NE2 GLN A 46 5.816 24.744 7.554 1.00 0.00 N flip ATOM 0 H GLN A 46 10.760 25.550 5.954 1.00 0.00 H new ATOM 0 HA GLN A 46 9.652 25.629 4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 46 7.399 27.167 5.384 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.283 26.027 4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 46 7.824 24.147 5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.240 25.221 6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.536 24.417 8.198 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.839 24.757 7.846 1.00 0.00 H new ATOM 720 N LEU A 47 10.753 28.223 3.997 1.00 0.00 N ATOM 721 CA LEU A 47 11.035 29.535 3.425 1.00 0.00 C ATOM 722 C LEU A 47 10.098 29.853 2.257 1.00 0.00 C ATOM 723 O LEU A 47 9.463 30.906 2.241 1.00 0.00 O ATOM 724 CB LEU A 47 12.491 29.584 2.946 1.00 0.00 C ATOM 725 CG LEU A 47 13.396 30.034 4.101 1.00 0.00 C ATOM 726 CD1 LEU A 47 14.811 29.493 3.894 1.00 0.00 C ATOM 727 CD2 LEU A 47 13.450 31.565 4.163 1.00 0.00 C ATOM 0 H LEU A 47 11.574 27.705 4.311 1.00 0.00 H new ATOM 0 HA LEU A 47 10.872 30.284 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.801 28.602 2.589 1.00 0.00 H new ATOM 0 HB3 LEU A 47 12.586 30.273 2.106 1.00 0.00 H new ATOM 0 HG LEU A 47 12.987 29.647 5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 47 15.448 29.816 4.717 1.00 0.00 H new ATOM 0 HD12 LEU A 47 14.783 28.404 3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 47 15.212 29.873 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.095 31.873 4.986 1.00 0.00 H new ATOM 0 HD22 LEU A 47 13.848 31.953 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.446 31.958 4.322 1.00 0.00 H new ATOM 739 N ASP A 48 10.043 28.967 1.265 1.00 0.00 N ATOM 740 CA ASP A 48 9.212 29.209 0.085 1.00 0.00 C ATOM 741 C ASP A 48 7.718 29.341 0.411 1.00 0.00 C ATOM 742 O ASP A 48 7.070 30.288 -0.041 1.00 0.00 O ATOM 743 CB ASP A 48 9.420 28.085 -0.933 1.00 0.00 C ATOM 744 CG ASP A 48 9.123 26.732 -0.301 1.00 0.00 C ATOM 745 OD1 ASP A 48 8.799 26.707 0.875 1.00 0.00 O1- ATOM 746 OD2 ASP A 48 9.235 25.739 -1.000 1.00 0.00 O ATOM 0 H ASP A 48 10.556 28.086 1.252 1.00 0.00 H new ATOM 0 HA ASP A 48 9.529 30.165 -0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.770 28.241 -1.794 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.446 28.104 -1.300 1.00 0.00 H new ATOM 751 N LEU A 49 7.164 28.407 1.181 1.00 0.00 N ATOM 752 CA LEU A 49 5.739 28.479 1.516 1.00 0.00 C ATOM 753 C LEU A 49 5.467 29.637 2.468 1.00 0.00 C ATOM 754 O LEU A 49 4.476 30.354 2.325 1.00 0.00 O ATOM 755 CB LEU A 49 5.271 27.169 2.150 1.00 0.00 C ATOM 756 CG LEU A 49 5.670 26.004 1.246 1.00 0.00 C ATOM 757 CD1 LEU A 49 5.289 24.681 1.913 1.00 0.00 C ATOM 758 CD2 LEU A 49 4.933 26.139 -0.086 1.00 0.00 C ATOM 0 H LEU A 49 7.662 27.610 1.577 1.00 0.00 H new ATOM 0 HA LEU A 49 5.184 28.645 0.593 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.717 27.049 3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.190 27.184 2.289 1.00 0.00 H new ATOM 0 HG LEU A 49 6.747 26.019 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.575 23.852 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.808 24.592 2.867 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.212 24.655 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.210 25.312 -0.740 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.857 26.118 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.205 27.083 -0.559 1.00 0.00 H new ATOM 770 N LEU A 50 6.342 29.803 3.451 1.00 0.00 N ATOM 771 CA LEU A 50 6.166 30.869 4.427 1.00 0.00 C ATOM 772 C LEU A 50 6.175 32.229 3.741 1.00 0.00 C ATOM 773 O LEU A 50 5.337 33.082 4.034 1.00 0.00 O ATOM 774 CB LEU A 50 7.295 30.822 5.454 1.00 0.00 C ATOM 775 CG LEU A 50 6.815 31.434 6.775 1.00 0.00 C ATOM 776 CD1 LEU A 50 7.996 31.568 7.732 1.00 0.00 C ATOM 777 CD2 LEU A 50 6.208 32.817 6.535 1.00 0.00 C ATOM 0 H LEU A 50 7.169 29.223 3.593 1.00 0.00 H new ATOM 0 HA LEU A 50 5.206 30.725 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.613 29.792 5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.162 31.369 5.082 1.00 0.00 H new ATOM 0 HG LEU A 50 6.056 30.782 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.655 32.003 8.672 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.424 30.584 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.754 32.213 7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.873 33.237 7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.959 33.472 6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.359 32.729 5.857 1.00 0.00 H new ATOM 789 N HIS A 51 7.123 32.430 2.831 1.00 0.00 N ATOM 790 CA HIS A 51 7.222 33.697 2.128 1.00 0.00 C ATOM 791 C HIS A 51 5.928 33.998 1.392 1.00 0.00 C ATOM 792 O HIS A 51 5.388 35.097 1.508 1.00 0.00 O ATOM 793 CB HIS A 51 8.391 33.649 1.143 1.00 0.00 C ATOM 794 CG HIS A 51 9.683 33.707 1.911 1.00 0.00 C ATOM 795 ND1 HIS A 51 10.851 34.196 1.353 1.00 0.00 N ATOM 796 CD2 HIS A 51 10.002 33.346 3.196 1.00 0.00 C ATOM 797 CE1 HIS A 51 11.812 34.120 2.291 1.00 0.00 C ATOM 798 NE2 HIS A 51 11.348 33.607 3.434 1.00 0.00 N ATOM 0 H HIS A 51 7.825 31.738 2.568 1.00 0.00 H new ATOM 0 HA HIS A 51 7.397 34.491 2.854 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.346 32.735 0.550 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.330 34.485 0.446 1.00 0.00 H new ATOM 0 HD1 HIS A 51 10.963 34.550 0.403 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.314 32.924 3.913 1.00 0.00 H new ATOM 0 HE1 HIS A 51 12.834 34.435 2.139 1.00 0.00 H new ATOM 807 N LYS A 52 5.424 33.022 0.644 1.00 0.00 N ATOM 808 CA LYS A 52 4.181 33.230 -0.080 1.00 0.00 C ATOM 809 C LYS A 52 3.078 33.535 0.917 1.00 0.00 C ATOM 810 O LYS A 52 2.299 34.472 0.739 1.00 0.00 O ATOM 811 CB LYS A 52 3.821 31.983 -0.886 1.00 0.00 C ATOM 812 CG LYS A 52 4.904 31.736 -1.934 1.00 0.00 C ATOM 813 CD LYS A 52 4.451 30.631 -2.887 1.00 0.00 C ATOM 814 CE LYS A 52 5.583 30.299 -3.865 1.00 0.00 C ATOM 815 NZ LYS A 52 6.826 29.973 -3.107 1.00 0.00 N1+ ATOM 0 H LYS A 52 5.847 32.101 0.526 1.00 0.00 H new ATOM 0 HA LYS A 52 4.299 34.065 -0.771 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.733 31.121 -0.225 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.853 32.114 -1.369 1.00 0.00 H new ATOM 0 HG2 LYS A 52 5.102 32.652 -2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.837 31.451 -1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.172 29.741 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.565 30.951 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.297 29.455 -4.493 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.762 31.145 -4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.339 29.210 -3.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.431 30.817 -3.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.576 29.665 -2.146 1.00 0.00 H new ATOM 829 N TRP A 53 3.037 32.740 1.976 1.00 0.00 N ATOM 830 CA TRP A 53 2.050 32.918 3.026 1.00 0.00 C ATOM 831 C TRP A 53 2.141 34.332 3.586 1.00 0.00 C ATOM 832 O TRP A 53 1.160 35.074 3.617 1.00 0.00 O ATOM 833 CB TRP A 53 2.351 31.913 4.138 1.00 0.00 C ATOM 834 CG TRP A 53 1.182 31.773 5.045 1.00 0.00 C ATOM 835 CD1 TRP A 53 0.193 30.866 4.897 1.00 0.00 C ATOM 836 CD2 TRP A 53 0.868 32.534 6.243 1.00 0.00 C ATOM 837 NE1 TRP A 53 -0.707 31.019 5.931 1.00 0.00 N ATOM 838 CE2 TRP A 53 -0.334 32.034 6.786 1.00 0.00 C ATOM 839 CE3 TRP A 53 1.504 33.599 6.906 1.00 0.00 C ATOM 840 CZ2 TRP A 53 -0.886 32.566 7.944 1.00 0.00 C ATOM 841 CZ3 TRP A 53 0.947 34.140 8.076 1.00 0.00 C ATOM 842 CH2 TRP A 53 -0.247 33.623 8.594 1.00 0.00 C ATOM 0 H TRP A 53 3.679 31.963 2.129 1.00 0.00 H new ATOM 0 HA TRP A 53 1.048 32.759 2.628 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.599 30.945 3.703 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.222 32.240 4.706 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.119 30.140 4.100 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.546 30.451 6.049 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.425 34.003 6.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.806 32.163 8.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.441 34.958 8.578 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.672 34.041 9.494 1.00 0.00 H new ATOM 853 N LEU A 54 3.334 34.679 4.046 1.00 0.00 N ATOM 854 CA LEU A 54 3.568 35.990 4.635 1.00 0.00 C ATOM 855 C LEU A 54 3.252 37.112 3.644 1.00 0.00 C ATOM 856 O LEU A 54 2.536 38.053 3.980 1.00 0.00 O ATOM 857 CB LEU A 54 5.021 36.090 5.102 1.00 0.00 C ATOM 858 CG LEU A 54 5.200 37.329 5.978 1.00 0.00 C ATOM 859 CD1 LEU A 54 4.669 37.053 7.382 1.00 0.00 C ATOM 860 CD2 LEU A 54 6.683 37.679 6.065 1.00 0.00 C ATOM 0 H LEU A 54 4.154 34.073 4.023 1.00 0.00 H new ATOM 0 HA LEU A 54 2.901 36.106 5.489 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.295 35.195 5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.686 36.144 4.240 1.00 0.00 H new ATOM 0 HG LEU A 54 4.648 38.160 5.538 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.800 37.940 8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.610 36.801 7.327 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.218 36.220 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.812 38.563 6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.229 36.843 6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.068 37.882 5.066 1.00 0.00 H new ATOM 872 N ASP A 55 3.782 37.021 2.425 1.00 0.00 N ATOM 873 CA ASP A 55 3.525 38.056 1.423 1.00 0.00 C ATOM 874 C ASP A 55 2.029 38.220 1.177 1.00 0.00 C ATOM 875 O ASP A 55 1.530 39.340 1.070 1.00 0.00 O ATOM 876 CB ASP A 55 4.203 37.696 0.096 1.00 0.00 C ATOM 877 CG ASP A 55 5.713 37.568 0.283 1.00 0.00 C ATOM 878 OD1 ASP A 55 6.310 38.497 0.802 1.00 0.00 O1- ATOM 879 OD2 ASP A 55 6.250 36.542 -0.102 1.00 0.00 O ATOM 0 H ASP A 55 4.381 36.257 2.111 1.00 0.00 H new ATOM 0 HA ASP A 55 3.932 38.992 1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 55 3.797 36.758 -0.284 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.987 38.462 -0.649 1.00 0.00 H new ATOM 884 N ARG A 56 1.321 37.099 1.074 1.00 0.00 N ATOM 885 CA ARG A 56 -0.115 37.127 0.817 1.00 0.00 C ATOM 886 C ARG A 56 -0.881 37.820 1.949 1.00 0.00 C ATOM 887 O ARG A 56 -1.936 38.412 1.715 1.00 0.00 O ATOM 888 CB ARG A 56 -0.642 35.695 0.624 1.00 0.00 C ATOM 889 CG ARG A 56 -2.045 35.743 0.009 1.00 0.00 C ATOM 890 CD ARG A 56 -2.620 34.327 -0.115 1.00 0.00 C ATOM 891 NE ARG A 56 -4.019 34.396 -0.532 1.00 0.00 N ATOM 892 CZ ARG A 56 -4.648 33.340 -1.042 1.00 0.00 C ATOM 893 NH1 ARG A 56 -4.007 32.219 -1.240 1.00 0.00 N ATOM 894 NH2 ARG A 56 -5.911 33.435 -1.353 1.00 0.00 N1+ ATOM 0 H ARG A 56 1.717 36.163 1.164 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.279 37.702 -0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.031 35.133 -0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.671 35.175 1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.700 36.356 0.628 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.003 36.213 -0.973 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.043 33.752 -0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.541 33.807 0.840 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.526 35.275 -0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.017 32.149 -1.003 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.496 31.414 -1.631 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.408 34.313 -1.205 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.402 32.631 -1.744 1.00 0.00 H new ATOM 908 N HIS A 57 -0.366 37.734 3.174 1.00 0.00 N ATOM 909 CA HIS A 57 -1.050 38.349 4.314 1.00 0.00 C ATOM 910 C HIS A 57 -0.283 39.542 4.889 1.00 0.00 C ATOM 911 O HIS A 57 -0.520 39.953 6.027 1.00 0.00 O ATOM 912 CB HIS A 57 -1.282 37.293 5.389 1.00 0.00 C ATOM 913 CG HIS A 57 -2.152 36.223 4.802 1.00 0.00 C ATOM 914 ND1 HIS A 57 -2.690 36.345 3.533 1.00 0.00 N ATOM 915 CD2 HIS A 57 -2.605 35.024 5.291 1.00 0.00 C ATOM 916 CE1 HIS A 57 -3.430 35.249 3.299 1.00 0.00 C ATOM 917 NE2 HIS A 57 -3.413 34.409 4.338 1.00 0.00 N ATOM 0 H HIS A 57 0.505 37.255 3.402 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.005 38.738 3.960 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.333 36.873 5.723 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.759 37.736 6.263 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.371 34.619 6.265 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.973 35.069 2.383 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.889 33.510 4.416 1.00 0.00 H new ATOM 926 N ARG A 58 0.617 40.105 4.095 1.00 0.00 N ATOM 927 CA ARG A 58 1.395 41.265 4.521 1.00 0.00 C ATOM 928 C ARG A 58 0.483 42.421 4.948 1.00 0.00 C ATOM 929 O ARG A 58 0.829 43.203 5.831 1.00 0.00 O ATOM 930 CB ARG A 58 2.295 41.721 3.376 1.00 0.00 C ATOM 931 CG ARG A 58 1.431 42.180 2.206 1.00 0.00 C ATOM 932 CD ARG A 58 2.306 42.310 0.967 1.00 0.00 C ATOM 933 NE ARG A 58 3.280 43.379 1.151 1.00 0.00 N ATOM 934 CZ ARG A 58 4.287 43.541 0.301 1.00 0.00 C ATOM 935 NH1 ARG A 58 4.414 42.736 -0.716 1.00 0.00 N ATOM 936 NH2 ARG A 58 5.146 44.506 0.481 1.00 0.00 N1+ ATOM 0 H ARG A 58 0.828 39.779 3.152 1.00 0.00 H new ATOM 0 HA ARG A 58 2.000 40.974 5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.940 42.535 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.946 40.905 3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.628 41.465 2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.961 43.136 2.437 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.820 41.368 0.775 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.686 42.518 0.095 1.00 0.00 H new ATOM 0 HE ARG A 58 3.186 44.012 1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.740 41.983 -0.858 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.187 42.859 -1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.045 45.137 1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.919 44.629 -0.173 1.00 0.00 H new ATOM 950 N ASP A 59 -0.671 42.530 4.297 1.00 0.00 N ATOM 951 CA ASP A 59 -1.628 43.604 4.584 1.00 0.00 C ATOM 952 C ASP A 59 -1.985 43.654 6.069 1.00 0.00 C ATOM 953 O ASP A 59 -2.200 44.729 6.633 1.00 0.00 O ATOM 954 CB ASP A 59 -2.908 43.367 3.773 1.00 0.00 C ATOM 955 CG ASP A 59 -3.766 44.629 3.756 1.00 0.00 C ATOM 956 OD1 ASP A 59 -3.258 45.673 4.128 1.00 0.00 O1- ATOM 957 OD2 ASP A 59 -4.918 44.531 3.366 1.00 0.00 O ATOM 0 H ASP A 59 -0.971 41.887 3.564 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.166 44.552 4.309 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.652 43.079 2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.473 42.541 4.205 1.00 0.00 H new ATOM 962 N MET A 60 -2.064 42.486 6.685 1.00 0.00 N ATOM 963 CA MET A 60 -2.419 42.385 8.098 1.00 0.00 C ATOM 964 C MET A 60 -1.455 43.168 9.000 1.00 0.00 C ATOM 965 O MET A 60 -1.837 43.636 10.081 1.00 0.00 O ATOM 966 CB MET A 60 -2.416 40.918 8.513 1.00 0.00 C ATOM 967 CG MET A 60 -0.972 40.459 8.723 1.00 0.00 C ATOM 968 SD MET A 60 -0.814 38.713 8.299 1.00 0.00 S ATOM 969 CE MET A 60 0.994 38.671 8.266 1.00 0.00 C ATOM 0 H MET A 60 -1.887 41.590 6.231 1.00 0.00 H new ATOM 0 HA MET A 60 -3.411 42.820 8.220 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.990 40.786 9.430 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.896 40.310 7.747 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.299 41.054 8.106 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.678 40.618 9.760 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.329 37.701 7.898 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.364 39.456 7.607 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.380 38.830 9.273 1.00 0.00 H new ATOM 979 N CYS A 61 -0.207 43.296 8.561 1.00 0.00 N ATOM 980 CA CYS A 61 0.809 44.006 9.337 1.00 0.00 C ATOM 981 C CYS A 61 0.459 45.482 9.468 1.00 0.00 C ATOM 982 O CYS A 61 0.837 46.142 10.438 1.00 0.00 O ATOM 983 CB CYS A 61 2.164 43.871 8.648 1.00 0.00 C ATOM 984 SG CYS A 61 2.167 44.879 7.144 1.00 0.00 S ATOM 0 H CYS A 61 0.127 42.919 7.674 1.00 0.00 H new ATOM 0 HA CYS A 61 0.850 43.566 10.334 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.961 44.194 9.318 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.358 42.827 8.401 1.00 0.00 H new ATOM 0 HG CYS A 61 1.515 44.259 6.205 1.00 0.00 H new ATOM 990 N GLU A 62 -0.259 45.993 8.480 1.00 0.00 N ATOM 991 CA GLU A 62 -0.657 47.392 8.471 1.00 0.00 C ATOM 992 C GLU A 62 -1.692 47.649 9.554 1.00 0.00 C ATOM 993 O GLU A 62 -1.875 48.782 9.996 1.00 0.00 O ATOM 994 CB GLU A 62 -1.262 47.748 7.111 1.00 0.00 C ATOM 995 CG GLU A 62 -0.203 47.576 6.023 1.00 0.00 C ATOM 996 CD GLU A 62 0.969 48.516 6.285 1.00 0.00 C ATOM 997 OE1 GLU A 62 0.734 49.596 6.801 1.00 0.00 O1- ATOM 998 OE2 GLU A 62 2.084 48.142 5.961 1.00 0.00 O ATOM 0 H GLU A 62 -0.579 45.458 7.672 1.00 0.00 H new ATOM 0 HA GLU A 62 0.224 48.007 8.657 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.120 47.108 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.626 48.775 7.120 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.145 46.543 6.003 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.637 47.785 5.045 1.00 0.00 H new ATOM 1005 N LYS A 63 -2.373 46.590 9.966 1.00 0.00 N ATOM 1006 CA LYS A 63 -3.400 46.713 10.990 1.00 0.00 C ATOM 1007 C LYS A 63 -2.793 46.625 12.389 1.00 0.00 C ATOM 1008 O LYS A 63 -2.648 47.635 13.078 1.00 0.00 O ATOM 1009 CB LYS A 63 -4.419 45.589 10.830 1.00 0.00 C ATOM 1010 CG LYS A 63 -4.598 45.257 9.346 1.00 0.00 C ATOM 1011 CD LYS A 63 -5.748 44.262 9.187 1.00 0.00 C ATOM 1012 CE LYS A 63 -5.411 42.968 9.936 1.00 0.00 C ATOM 1013 NZ LYS A 63 -6.152 42.931 11.225 1.00 0.00 N1+ ATOM 0 H LYS A 63 -2.235 45.644 9.611 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.881 47.684 10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.086 44.704 11.372 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.374 45.887 11.263 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -4.807 46.165 8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.678 44.835 8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.671 44.691 9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.917 44.050 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.677 42.104 9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.338 42.911 10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.553 42.500 11.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.403 43.899 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.019 42.368 11.111 1.00 0.00 H new ATOM 1027 N TRP A 64 -2.452 45.405 12.800 1.00 0.00 N ATOM 1028 CA TRP A 64 -1.871 45.198 14.126 1.00 0.00 C ATOM 1029 C TRP A 64 -0.377 45.490 14.120 1.00 0.00 C ATOM 1030 O TRP A 64 0.383 44.868 14.855 1.00 0.00 O ATOM 1031 CB TRP A 64 -2.118 43.772 14.629 1.00 0.00 C ATOM 1032 CG TRP A 64 -1.886 42.793 13.533 1.00 0.00 C ATOM 1033 CD1 TRP A 64 -1.000 42.944 12.527 1.00 0.00 C ATOM 1034 CD2 TRP A 64 -2.528 41.506 13.328 1.00 0.00 C ATOM 1035 NE1 TRP A 64 -1.062 41.833 11.712 1.00 0.00 N ATOM 1036 CE2 TRP A 64 -1.992 40.914 12.163 1.00 0.00 C ATOM 1037 CE3 TRP A 64 -3.521 40.806 14.034 1.00 0.00 C ATOM 1038 CZ2 TRP A 64 -2.426 39.665 11.715 1.00 0.00 C ATOM 1039 CZ3 TRP A 64 -3.960 39.550 13.585 1.00 0.00 C ATOM 1040 CH2 TRP A 64 -3.414 38.980 12.428 1.00 0.00 C ATOM 0 H TRP A 64 -2.565 44.557 12.245 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.364 45.894 14.805 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.456 43.554 15.467 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.140 43.681 14.998 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -0.350 43.794 12.384 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.491 41.705 10.877 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.949 41.237 14.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.001 39.230 10.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.723 39.020 14.135 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.756 38.014 12.088 1.00 0.00 H new ATOM 1051 N LYS A 65 0.035 46.434 13.279 1.00 0.00 N ATOM 1052 CA LYS A 65 1.446 46.807 13.170 1.00 0.00 C ATOM 1053 C LYS A 65 2.190 46.627 14.499 1.00 0.00 C ATOM 1054 O LYS A 65 2.461 47.599 15.201 1.00 0.00 O ATOM 1055 CB LYS A 65 1.559 48.269 12.744 1.00 0.00 C ATOM 1056 CG LYS A 65 2.982 48.532 12.263 1.00 0.00 C ATOM 1057 CD LYS A 65 3.153 50.009 11.921 1.00 0.00 C ATOM 1058 CE LYS A 65 4.579 50.227 11.423 1.00 0.00 C ATOM 1059 NZ LYS A 65 4.740 51.625 10.942 1.00 0.00 N1+ ATOM 0 H LYS A 65 -0.587 46.956 12.662 1.00 0.00 H new ATOM 0 HA LYS A 65 1.900 46.151 12.428 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.846 48.487 11.949 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.316 48.925 13.579 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.695 48.244 13.036 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.197 47.920 11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.435 50.307 11.157 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.959 50.626 12.798 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.288 50.026 12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.803 49.528 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.714 51.766 10.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.074 51.803 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.545 52.285 11.722 1.00 0.00 H new ATOM 1073 N SER A 66 2.528 45.384 14.827 1.00 0.00 N ATOM 1074 CA SER A 66 3.258 45.089 16.061 1.00 0.00 C ATOM 1075 C SER A 66 3.886 43.699 15.981 1.00 0.00 C ATOM 1076 O SER A 66 3.187 42.693 15.906 1.00 0.00 O ATOM 1077 CB SER A 66 2.331 45.196 17.270 1.00 0.00 C ATOM 1078 OG SER A 66 1.059 44.666 16.936 1.00 0.00 O ATOM 0 H SER A 66 2.310 44.565 14.259 1.00 0.00 H new ATOM 0 HA SER A 66 4.056 45.822 16.180 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.753 44.652 18.115 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.234 46.237 17.577 1.00 0.00 H new ATOM 0 HG SER A 66 0.724 45.105 16.126 1.00 0.00 H new ATOM 1084 N LYS A 67 5.209 43.665 15.963 1.00 0.00 N ATOM 1085 CA LYS A 67 5.958 42.415 15.845 1.00 0.00 C ATOM 1086 C LYS A 67 5.474 41.303 16.778 1.00 0.00 C ATOM 1087 O LYS A 67 5.060 40.240 16.319 1.00 0.00 O ATOM 1088 CB LYS A 67 7.424 42.694 16.153 1.00 0.00 C ATOM 1089 CG LYS A 67 8.225 41.399 16.046 1.00 0.00 C ATOM 1090 CD LYS A 67 9.697 41.692 16.347 1.00 0.00 C ATOM 1091 CE LYS A 67 10.516 40.412 16.189 1.00 0.00 C ATOM 1092 NZ LYS A 67 10.617 39.728 17.508 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.796 44.497 16.029 1.00 0.00 H new ATOM 0 HA LYS A 67 5.806 42.060 14.826 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.817 43.435 15.458 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.522 43.113 17.155 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.838 40.659 16.747 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.123 40.976 15.047 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.071 42.461 15.671 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.801 42.080 17.360 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.045 39.753 15.459 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.511 40.647 15.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.174 38.856 17.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.084 40.358 18.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.664 39.492 17.850 1.00 0.00 H new ATOM 1106 N GLU A 68 5.580 41.523 18.081 1.00 0.00 N ATOM 1107 CA GLU A 68 5.204 40.493 19.047 1.00 0.00 C ATOM 1108 C GLU A 68 3.744 40.083 18.917 1.00 0.00 C ATOM 1109 O GLU A 68 3.416 38.902 19.022 1.00 0.00 O ATOM 1110 CB GLU A 68 5.465 41.002 20.460 1.00 0.00 C ATOM 1111 CG GLU A 68 6.962 41.262 20.623 1.00 0.00 C ATOM 1112 CD GLU A 68 7.263 41.739 22.037 1.00 0.00 C ATOM 1113 OE1 GLU A 68 6.324 42.073 22.740 1.00 0.00 O1- ATOM 1114 OE2 GLU A 68 8.429 41.768 22.395 1.00 0.00 O ATOM 0 H GLU A 68 5.918 42.393 18.493 1.00 0.00 H new ATOM 0 HA GLU A 68 5.812 39.612 18.840 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.901 41.917 20.641 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.127 40.269 21.193 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.522 40.351 20.412 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.289 42.011 19.902 1.00 0.00 H new ATOM 1121 N ASP A 69 2.871 41.048 18.684 1.00 0.00 N ATOM 1122 CA ASP A 69 1.455 40.736 18.545 1.00 0.00 C ATOM 1123 C ASP A 69 1.229 39.894 17.302 1.00 0.00 C ATOM 1124 O ASP A 69 0.511 38.898 17.340 1.00 0.00 O ATOM 1125 CB ASP A 69 0.635 42.020 18.462 1.00 0.00 C ATOM 1126 CG ASP A 69 0.680 42.747 19.801 1.00 0.00 C ATOM 1127 OD1 ASP A 69 0.328 42.134 20.796 1.00 0.00 O ATOM 1128 OD2 ASP A 69 1.072 43.901 19.814 1.00 0.00 O1- ATOM 0 H ASP A 69 3.108 42.035 18.588 1.00 0.00 H new ATOM 0 HA ASP A 69 1.133 40.172 19.420 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.028 42.663 17.675 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.397 41.787 18.198 1.00 0.00 H new ATOM 1133 N ILE A 70 1.864 40.292 16.205 1.00 0.00 N ATOM 1134 CA ILE A 70 1.738 39.555 14.960 1.00 0.00 C ATOM 1135 C ILE A 70 2.189 38.117 15.160 1.00 0.00 C ATOM 1136 O ILE A 70 1.522 37.182 14.730 1.00 0.00 O ATOM 1137 CB ILE A 70 2.593 40.207 13.874 1.00 0.00 C ATOM 1138 CG1 ILE A 70 2.028 41.585 13.525 1.00 0.00 C ATOM 1139 CG2 ILE A 70 2.586 39.330 12.622 1.00 0.00 C ATOM 1140 CD1 ILE A 70 3.083 42.385 12.757 1.00 0.00 C ATOM 0 H ILE A 70 2.466 41.114 16.155 1.00 0.00 H new ATOM 0 HA ILE A 70 0.693 39.568 14.652 1.00 0.00 H new ATOM 0 HB ILE A 70 3.613 40.316 14.242 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.126 41.479 12.923 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.744 42.115 14.434 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.196 39.796 11.848 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.993 38.348 12.863 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.564 39.220 12.261 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.683 43.368 12.507 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.973 42.502 13.376 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.345 41.856 11.841 1.00 0.00 H new ATOM 1152 N LEU A 71 3.325 37.945 15.822 1.00 0.00 N ATOM 1153 CA LEU A 71 3.846 36.611 16.066 1.00 0.00 C ATOM 1154 C LEU A 71 2.815 35.747 16.787 1.00 0.00 C ATOM 1155 O LEU A 71 2.639 34.577 16.455 1.00 0.00 O ATOM 1156 CB LEU A 71 5.126 36.697 16.901 1.00 0.00 C ATOM 1157 CG LEU A 71 6.241 37.358 16.082 1.00 0.00 C ATOM 1158 CD1 LEU A 71 7.498 37.480 16.944 1.00 0.00 C ATOM 1159 CD2 LEU A 71 6.558 36.497 14.858 1.00 0.00 C ATOM 0 H LEU A 71 3.896 38.703 16.195 1.00 0.00 H new ATOM 0 HA LEU A 71 4.070 36.149 15.104 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.940 37.271 17.809 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.435 35.699 17.213 1.00 0.00 H new ATOM 0 HG LEU A 71 5.914 38.347 15.760 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.293 37.950 16.364 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.280 38.089 17.821 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.819 36.488 17.262 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.351 36.968 14.277 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.885 35.509 15.183 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.665 36.399 14.241 1.00 0.00 H new ATOM 1171 N HIS A 72 2.127 36.328 17.760 1.00 0.00 N ATOM 1172 CA HIS A 72 1.111 35.584 18.504 1.00 0.00 C ATOM 1173 C HIS A 72 -0.041 35.170 17.593 1.00 0.00 C ATOM 1174 O HIS A 72 -0.427 34.001 17.555 1.00 0.00 O ATOM 1175 CB HIS A 72 0.557 36.428 19.652 1.00 0.00 C ATOM 1176 CG HIS A 72 -0.439 35.611 20.430 1.00 0.00 C ATOM 1177 ND1 HIS A 72 -1.131 34.554 19.859 1.00 0.00 N ATOM 1178 CD2 HIS A 72 -0.871 35.679 21.731 1.00 0.00 C ATOM 1179 CE1 HIS A 72 -1.933 34.033 20.804 1.00 0.00 C ATOM 1180 NE2 HIS A 72 -1.814 34.681 21.965 1.00 0.00 N ATOM 0 H HIS A 72 2.248 37.298 18.052 1.00 0.00 H new ATOM 0 HA HIS A 72 1.589 34.691 18.905 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.367 36.753 20.304 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.082 37.328 19.261 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -1.047 34.230 18.896 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.531 36.397 22.462 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.593 33.193 20.643 1.00 0.00 H new ATOM 1189 N LYS A 73 -0.594 36.135 16.868 1.00 0.00 N ATOM 1190 CA LYS A 73 -1.713 35.844 15.973 1.00 0.00 C ATOM 1191 C LYS A 73 -1.308 34.786 14.957 1.00 0.00 C ATOM 1192 O LYS A 73 -1.995 33.778 14.785 1.00 0.00 O ATOM 1193 CB LYS A 73 -2.166 37.109 15.239 1.00 0.00 C ATOM 1194 CG LYS A 73 -2.421 38.245 16.238 1.00 0.00 C ATOM 1195 CD LYS A 73 -3.364 37.787 17.354 1.00 0.00 C ATOM 1196 CE LYS A 73 -4.679 37.284 16.756 1.00 0.00 C ATOM 1197 NZ LYS A 73 -5.700 37.180 17.834 1.00 0.00 N1+ ATOM 0 H LYS A 73 -0.294 37.110 16.879 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.542 35.472 16.576 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.405 37.412 14.520 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.075 36.903 14.673 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.476 38.576 16.668 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.853 39.101 15.720 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.893 36.995 17.936 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.559 38.613 18.038 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.023 37.966 15.978 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.530 36.312 16.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.596 36.838 17.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.370 36.514 18.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.848 38.116 18.263 1.00 0.00 H new ATOM 1211 N LEU A 74 -0.189 35.013 14.286 1.00 0.00 N ATOM 1212 CA LEU A 74 0.287 34.056 13.299 1.00 0.00 C ATOM 1213 C LEU A 74 0.495 32.685 13.929 1.00 0.00 C ATOM 1214 O LEU A 74 0.175 31.666 13.320 1.00 0.00 O ATOM 1215 CB LEU A 74 1.587 34.547 12.667 1.00 0.00 C ATOM 1216 CG LEU A 74 1.276 35.533 11.539 1.00 0.00 C ATOM 1217 CD1 LEU A 74 0.199 36.530 11.973 1.00 0.00 C ATOM 1218 CD2 LEU A 74 2.548 36.288 11.172 1.00 0.00 C ATOM 0 H LEU A 74 0.399 35.838 14.404 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.471 33.965 12.521 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.210 35.028 13.421 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.154 33.702 12.277 1.00 0.00 H new ATOM 0 HG LEU A 74 0.907 34.978 10.677 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.007 37.222 11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.713 35.991 12.231 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.549 37.088 12.842 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.334 36.993 10.368 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.913 36.831 12.044 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.308 35.581 10.841 1.00 0.00 H new ATOM 1230 N ASN A 75 1.024 32.655 15.151 1.00 0.00 N ATOM 1231 CA ASN A 75 1.245 31.383 15.829 1.00 0.00 C ATOM 1232 C ASN A 75 -0.065 30.609 15.949 1.00 0.00 C ATOM 1233 O ASN A 75 -0.107 29.404 15.706 1.00 0.00 O ATOM 1234 CB ASN A 75 1.812 31.623 17.229 1.00 0.00 C ATOM 1235 CG ASN A 75 3.179 32.283 17.129 1.00 0.00 C ATOM 1236 OD1 ASN A 75 3.803 32.259 16.070 1.00 0.00 O ATOM 1237 ND2 ASN A 75 3.687 32.872 18.177 1.00 0.00 N ATOM 0 H ASN A 75 1.302 33.480 15.682 1.00 0.00 H new ATOM 0 HA ASN A 75 1.956 30.802 15.241 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.134 32.256 17.802 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.894 30.677 17.765 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.604 33.314 18.119 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.167 32.890 19.054 1.00 0.00 H new ATOM 1244 N GLU A 76 -1.134 31.314 16.321 1.00 0.00 N ATOM 1245 CA GLU A 76 -2.445 30.684 16.471 1.00 0.00 C ATOM 1246 C GLU A 76 -2.978 30.220 15.118 1.00 0.00 C ATOM 1247 O GLU A 76 -3.575 29.150 15.004 1.00 0.00 O ATOM 1248 CB GLU A 76 -3.430 31.674 17.103 1.00 0.00 C ATOM 1249 CG GLU A 76 -4.715 30.947 17.508 1.00 0.00 C ATOM 1250 CD GLU A 76 -4.413 29.943 18.614 1.00 0.00 C ATOM 1251 OE1 GLU A 76 -3.423 30.133 19.302 1.00 0.00 O1- ATOM 1252 OE2 GLU A 76 -5.172 28.998 18.754 1.00 0.00 O ATOM 0 H GLU A 76 -1.118 32.314 16.522 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.338 29.815 17.120 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.977 32.143 17.976 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.661 32.471 16.397 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.458 31.667 17.851 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.141 30.435 16.645 1.00 0.00 H new ATOM 1259 N GLN A 77 -2.738 31.026 14.090 1.00 0.00 N ATOM 1260 CA GLN A 77 -3.183 30.686 12.739 1.00 0.00 C ATOM 1261 C GLN A 77 -2.346 29.534 12.190 1.00 0.00 C ATOM 1262 O GLN A 77 -2.875 28.593 11.599 1.00 0.00 O ATOM 1263 CB GLN A 77 -3.052 31.914 11.833 1.00 0.00 C ATOM 1264 CG GLN A 77 -3.570 31.596 10.428 1.00 0.00 C ATOM 1265 CD GLN A 77 -5.081 31.399 10.445 1.00 0.00 C ATOM 1266 OE1 GLN A 77 -5.568 30.314 10.135 1.00 0.00 O ATOM 1267 NE2 GLN A 77 -5.858 32.394 10.781 1.00 0.00 N ATOM 0 H GLN A 77 -2.241 31.914 14.162 1.00 0.00 H new ATOM 0 HA GLN A 77 -4.227 30.375 12.770 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.614 32.747 12.255 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.009 32.227 11.781 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -3.311 32.407 9.747 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -3.085 30.696 10.051 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.452 33.294 11.038 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.871 32.271 10.786 1.00 0.00 H new ATOM 1276 N TRP A 78 -1.038 29.602 12.421 1.00 0.00 N ATOM 1277 CA TRP A 78 -0.138 28.550 11.971 1.00 0.00 C ATOM 1278 C TRP A 78 -0.598 27.220 12.547 1.00 0.00 C ATOM 1279 O TRP A 78 -0.577 26.189 11.875 1.00 0.00 O ATOM 1280 CB TRP A 78 1.280 28.847 12.459 1.00 0.00 C ATOM 1281 CG TRP A 78 2.282 28.142 11.601 1.00 0.00 C ATOM 1282 CD1 TRP A 78 2.309 26.812 11.341 1.00 0.00 C ATOM 1283 CD2 TRP A 78 3.419 28.717 10.905 1.00 0.00 C ATOM 1284 NE1 TRP A 78 3.393 26.542 10.524 1.00 0.00 N ATOM 1285 CE2 TRP A 78 4.107 27.683 10.231 1.00 0.00 C ATOM 1286 CE3 TRP A 78 3.913 30.027 10.797 1.00 0.00 C ATOM 1287 CZ2 TRP A 78 5.249 27.939 9.476 1.00 0.00 C ATOM 1288 CZ3 TRP A 78 5.064 30.289 10.038 1.00 0.00 C ATOM 1289 CH2 TRP A 78 5.732 29.244 9.380 1.00 0.00 C ATOM 0 H TRP A 78 -0.582 30.370 12.914 1.00 0.00 H new ATOM 0 HA TRP A 78 -0.145 28.504 10.882 1.00 0.00 H new ATOM 0 HB2 TRP A 78 1.463 29.921 12.435 1.00 0.00 H new ATOM 0 HB3 TRP A 78 1.390 28.528 13.495 1.00 0.00 H new ATOM 0 HD1 TRP A 78 1.602 26.084 11.710 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.634 25.612 10.181 1.00 0.00 H new ATOM 0 HE3 TRP A 78 3.405 30.836 11.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.757 27.133 8.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.438 31.299 9.960 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.619 29.450 8.800 1.00 0.00 H new ATOM 1300 N ASN A 79 -1.017 27.269 13.805 1.00 0.00 N ATOM 1301 CA ASN A 79 -1.489 26.085 14.501 1.00 0.00 C ATOM 1302 C ASN A 79 -2.763 25.544 13.847 1.00 0.00 C ATOM 1303 O ASN A 79 -2.925 24.332 13.706 1.00 0.00 O ATOM 1304 CB ASN A 79 -1.745 26.437 15.968 1.00 0.00 C ATOM 1305 CG ASN A 79 -0.494 27.080 16.560 1.00 0.00 C ATOM 1306 OD1 ASN A 79 0.659 26.898 15.974 1.00 0.00 O flip ATOM 1307 ND2 ASN A 79 -0.570 27.779 17.572 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.038 28.122 14.364 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.729 25.306 14.442 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.591 27.120 16.047 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.006 25.540 16.529 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.471 27.920 18.028 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.269 28.217 17.954 1.00 0.00 H new ATOM 1314 N LYS A 80 -3.657 26.444 13.436 1.00 0.00 N ATOM 1315 CA LYS A 80 -4.904 26.030 12.787 1.00 0.00 C ATOM 1316 C LYS A 80 -4.692 25.814 11.289 1.00 0.00 C ATOM 1317 O LYS A 80 -5.607 25.400 10.580 1.00 0.00 O ATOM 1318 CB LYS A 80 -5.990 27.096 12.995 1.00 0.00 C ATOM 1319 CG LYS A 80 -6.283 27.261 14.489 1.00 0.00 C ATOM 1320 CD LYS A 80 -7.256 26.171 14.951 1.00 0.00 C ATOM 1321 CE LYS A 80 -7.281 26.122 16.479 1.00 0.00 C ATOM 1322 NZ LYS A 80 -6.406 25.011 16.950 1.00 0.00 N1+ ATOM 0 H LYS A 80 -3.545 27.453 13.538 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.222 25.090 13.239 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.664 28.047 12.573 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.899 26.808 12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.356 27.200 15.060 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -6.709 28.246 14.679 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -8.256 26.375 14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.952 25.204 14.551 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.937 27.071 16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.301 25.972 16.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.420 24.974 17.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.754 24.109 16.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.432 25.173 16.623 1.00 0.00 H new ATOM 1336 N ASP A 81 -3.483 26.102 10.816 1.00 0.00 N ATOM 1337 CA ASP A 81 -3.157 25.943 9.397 1.00 0.00 C ATOM 1338 C ASP A 81 -4.173 26.676 8.524 1.00 0.00 C ATOM 1339 O ASP A 81 -5.341 26.332 8.590 1.00 0.00 O ATOM 1340 CB ASP A 81 -3.134 24.462 9.010 1.00 0.00 C ATOM 1341 CG ASP A 81 -2.551 24.303 7.607 1.00 0.00 C ATOM 1342 OD1 ASP A 81 -1.902 25.229 7.146 1.00 0.00 O1- ATOM 1343 OD2 ASP A 81 -2.759 23.257 7.014 1.00 0.00 O ATOM 1344 OXT ASP A 81 -3.765 27.568 7.800 1.00 0.00 O ATOM 0 H ASP A 81 -2.713 26.446 11.390 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.168 26.372 9.234 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.538 23.898 9.728 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.144 24.052 9.043 1.00 0.00 H new