USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 784 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 45 TYR OH : rot -43:sc= 0.272 USER MOD Set 1.2: A 62 GLN : amide:sc= 0.462 K(o=0.73,f=0.18) USER MOD Set 2.1: A 23 HIS : no HD1:sc= -1.22 K(o=-2.3,f=-1) USER MOD Set 2.2: A 26 MET CE :methyl -143:sc= -1.12 (180deg=0) USER MOD Set 3.1: A 17 THR OG1 : rot -150:sc= -4.45! USER MOD Set 3.2: A 20 GLN : amide:sc= -1.59 K(o=-6,f=-7.3) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -146:sc= -1.37 (180deg=-3.78!) USER MOD Single : A 38 LYS NZ :NH3+ -136:sc= 1.56 (180deg=-0.617) USER MOD Single : A 40 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.43) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 63:sc= -0.213! USER MOD Single : A 48 SER OG : rot 180:sc= -0.0061 USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= -0.0437 (180deg=-0.466) USER MOD Single : A 56 LYS NZ :NH3+ 136:sc= -0.586 (180deg=-3.44!) USER MOD Single : A 57 HIS : no HD1:sc= -8.4! K(o=-8.4!,f=-4.5) USER MOD Single : A 58 CYS SG : rot 68:sc= -0.708 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 65 GLN : amide:sc= -0.0246 X(o=-0.025,f=0) USER MOD Single : A 66 THR OG1 : rot 100:sc= -2.16! USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.28) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 16:sc= -3.59! USER MOD Single : A 86 LYS NZ :NH3+ -150:sc= -0.081 (180deg=-0.631) USER MOD Single : A 87 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.73) USER MOD Single : A 90 TYR OH : rot -155:sc= 1.73 USER MOD Single : A 92 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0739) USER MOD Single : A 93 MET CE :methyl -144:sc= -4.09! (180deg=-4.46!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N TRP A 11 -1.088 10.069 0.505 1.00 0.00 N ATOM 142 CA TRP A 11 -1.938 8.854 0.654 1.00 0.00 C ATOM 143 C TRP A 11 -1.805 7.982 -0.596 1.00 0.00 C ATOM 144 O TRP A 11 -1.270 6.890 -0.551 1.00 0.00 O ATOM 145 CB TRP A 11 -3.399 9.275 0.831 1.00 0.00 C ATOM 146 CG TRP A 11 -4.146 8.197 1.549 1.00 0.00 C ATOM 147 CD1 TRP A 11 -3.961 7.853 2.843 1.00 0.00 C ATOM 148 CD2 TRP A 11 -5.192 7.321 1.037 1.00 0.00 C ATOM 149 NE1 TRP A 11 -4.826 6.821 3.160 1.00 0.00 N ATOM 150 CE2 TRP A 11 -5.606 6.457 2.080 1.00 0.00 C ATOM 151 CE3 TRP A 11 -5.815 7.192 -0.217 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -6.603 5.501 1.884 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -6.819 6.230 -0.417 1.00 0.00 C ATOM 154 CH2 TRP A 11 -7.213 5.387 0.632 1.00 0.00 C ATOM 0 HA TRP A 11 -1.614 8.287 1.527 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -3.454 10.207 1.394 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -3.855 9.462 -0.141 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.253 8.309 3.519 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.881 6.382 4.079 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -5.520 7.837 -1.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.901 4.853 2.695 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.290 6.139 -1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -7.987 4.651 0.473 1.00 0.00 H new ATOM 165 N TYR A 12 -2.288 8.452 -1.714 1.00 0.00 N ATOM 166 CA TYR A 12 -2.187 7.646 -2.961 1.00 0.00 C ATOM 167 C TYR A 12 -1.627 8.511 -4.093 1.00 0.00 C ATOM 168 O TYR A 12 -1.675 9.724 -4.044 1.00 0.00 O ATOM 169 CB TYR A 12 -3.574 7.128 -3.350 1.00 0.00 C ATOM 170 CG TYR A 12 -4.414 8.271 -3.869 1.00 0.00 C ATOM 171 CD1 TYR A 12 -4.863 9.265 -2.992 1.00 0.00 C ATOM 172 CD2 TYR A 12 -4.744 8.336 -5.228 1.00 0.00 C ATOM 173 CE1 TYR A 12 -5.642 10.324 -3.473 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.522 9.396 -5.709 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.971 10.390 -4.831 1.00 0.00 C ATOM 176 OH TYR A 12 -6.738 11.436 -5.305 1.00 0.00 O ATOM 0 H TYR A 12 -2.747 9.357 -1.816 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.519 6.802 -2.790 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.484 6.354 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.058 6.670 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.608 9.215 -1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.399 7.569 -5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.989 11.090 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.776 9.447 -6.758 1.00 0.00 H new ATOM 0 HH TYR A 12 -6.874 11.331 -6.270 1.00 0.00 H new ATOM 186 N HIS A 13 -1.097 7.893 -5.114 1.00 0.00 N ATOM 187 CA HIS A 13 -0.534 8.675 -6.251 1.00 0.00 C ATOM 188 C HIS A 13 -1.296 8.325 -7.532 1.00 0.00 C ATOM 189 O HIS A 13 -1.816 7.236 -7.678 1.00 0.00 O ATOM 190 CB HIS A 13 0.945 8.326 -6.429 1.00 0.00 C ATOM 191 CG HIS A 13 1.631 8.340 -5.091 1.00 0.00 C ATOM 192 ND1 HIS A 13 1.727 9.488 -4.320 1.00 0.00 N ATOM 193 CD2 HIS A 13 2.259 7.353 -4.374 1.00 0.00 C ATOM 194 CE1 HIS A 13 2.392 9.166 -3.195 1.00 0.00 C ATOM 195 NE2 HIS A 13 2.738 7.876 -3.178 1.00 0.00 N ATOM 0 H HIS A 13 -1.030 6.880 -5.209 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.633 9.741 -6.045 1.00 0.00 H new ATOM 0 HB2 HIS A 13 1.044 7.343 -6.890 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.420 9.042 -7.100 1.00 0.00 H new ATOM 0 HD2 HIS A 13 2.365 6.326 -4.691 1.00 0.00 H new ATOM 0 HE1 HIS A 13 2.618 9.865 -2.403 1.00 0.00 H new ATOM 0 HE2 HIS A 13 3.245 7.381 -2.445 1.00 0.00 H new ATOM 203 N ALA A 14 -1.367 9.239 -8.459 1.00 0.00 N ATOM 204 CA ALA A 14 -2.096 8.957 -9.728 1.00 0.00 C ATOM 205 C ALA A 14 -1.369 7.855 -10.504 1.00 0.00 C ATOM 206 O ALA A 14 -1.596 6.682 -10.288 1.00 0.00 O ATOM 207 CB ALA A 14 -2.155 10.230 -10.576 1.00 0.00 C ATOM 0 H ALA A 14 -0.952 10.169 -8.393 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.109 8.627 -9.499 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.688 10.024 -11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.677 11.011 -10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.142 10.562 -10.805 1.00 0.00 H new ATOM 213 N SER A 15 -0.500 8.219 -11.407 1.00 0.00 N ATOM 214 CA SER A 15 0.232 7.185 -12.190 1.00 0.00 C ATOM 215 C SER A 15 1.457 7.814 -12.854 1.00 0.00 C ATOM 216 O SER A 15 1.464 8.982 -13.189 1.00 0.00 O ATOM 217 CB SER A 15 -0.694 6.615 -13.266 1.00 0.00 C ATOM 218 OG SER A 15 0.022 5.666 -14.046 1.00 0.00 O ATOM 0 H SER A 15 -0.266 9.185 -11.636 1.00 0.00 H new ATOM 0 HA SER A 15 0.554 6.386 -11.523 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.561 6.143 -12.804 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.069 7.417 -13.902 1.00 0.00 H new ATOM 0 HG SER A 15 -0.569 5.297 -14.736 1.00 0.00 H new ATOM 224 N LEU A 16 2.497 7.049 -13.045 1.00 0.00 N ATOM 225 CA LEU A 16 3.725 7.601 -13.687 1.00 0.00 C ATOM 226 C LEU A 16 4.329 6.551 -14.622 1.00 0.00 C ATOM 227 O LEU A 16 4.471 6.772 -15.808 1.00 0.00 O ATOM 228 CB LEU A 16 4.750 7.982 -12.611 1.00 0.00 C ATOM 229 CG LEU A 16 4.511 7.157 -11.343 1.00 0.00 C ATOM 230 CD1 LEU A 16 5.841 6.923 -10.624 1.00 0.00 C ATOM 231 CD2 LEU A 16 3.559 7.915 -10.416 1.00 0.00 C ATOM 0 H LEU A 16 2.550 6.064 -12.784 1.00 0.00 H new ATOM 0 HA LEU A 16 3.461 8.490 -14.260 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.760 7.809 -12.982 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.672 9.045 -12.383 1.00 0.00 H new ATOM 0 HG LEU A 16 4.072 6.197 -11.613 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.669 6.336 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.521 6.384 -11.283 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.282 7.882 -10.354 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.388 7.329 -9.513 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.000 8.875 -10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.610 8.081 -10.926 1.00 0.00 H new ATOM 243 N THR A 17 4.687 5.409 -14.100 1.00 0.00 N ATOM 244 CA THR A 17 5.281 4.348 -14.961 1.00 0.00 C ATOM 245 C THR A 17 5.252 3.012 -14.216 1.00 0.00 C ATOM 246 O THR A 17 5.040 2.962 -13.020 1.00 0.00 O ATOM 247 CB THR A 17 6.728 4.711 -15.299 1.00 0.00 C ATOM 248 OG1 THR A 17 6.961 6.074 -14.972 1.00 0.00 O ATOM 249 CG2 THR A 17 6.978 4.491 -16.792 1.00 0.00 C ATOM 0 H THR A 17 4.593 5.165 -13.114 1.00 0.00 H new ATOM 0 HA THR A 17 4.704 4.265 -15.882 1.00 0.00 H new ATOM 0 HB THR A 17 7.405 4.078 -14.725 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.646 6.441 -15.569 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.010 4.750 -17.030 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.800 3.445 -17.040 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.303 5.121 -17.371 1.00 0.00 H new ATOM 257 N ARG A 18 5.462 1.927 -14.911 1.00 0.00 N ATOM 258 CA ARG A 18 5.443 0.597 -14.238 1.00 0.00 C ATOM 259 C ARG A 18 6.809 0.322 -13.604 1.00 0.00 C ATOM 260 O ARG A 18 7.031 -0.717 -13.014 1.00 0.00 O ATOM 261 CB ARG A 18 5.131 -0.491 -15.268 1.00 0.00 C ATOM 262 CG ARG A 18 3.743 -1.072 -14.993 1.00 0.00 C ATOM 263 CD ARG A 18 3.857 -2.581 -14.768 1.00 0.00 C ATOM 264 NE ARG A 18 3.001 -3.296 -15.756 1.00 0.00 N ATOM 265 CZ ARG A 18 3.161 -4.576 -15.949 1.00 0.00 C ATOM 266 NH1 ARG A 18 4.179 -5.009 -16.642 1.00 0.00 N ATOM 267 NH2 ARG A 18 2.303 -5.423 -15.451 1.00 0.00 N ATOM 0 H ARG A 18 5.646 1.904 -15.914 1.00 0.00 H new ATOM 0 HA ARG A 18 4.677 0.595 -13.462 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.170 -0.075 -16.275 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.883 -1.279 -15.219 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.305 -0.595 -14.116 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.079 -0.868 -15.833 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.895 -2.898 -14.873 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.548 -2.833 -13.753 1.00 0.00 H new ATOM 0 HE ARG A 18 2.291 -2.785 -16.281 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.849 -4.346 -17.032 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.304 -6.010 -16.793 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.507 -5.084 -14.911 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.428 -6.424 -15.602 1.00 0.00 H new ATOM 281 N ALA A 19 7.725 1.245 -13.716 1.00 0.00 N ATOM 282 CA ALA A 19 9.069 1.038 -13.117 1.00 0.00 C ATOM 283 C ALA A 19 9.568 2.359 -12.528 1.00 0.00 C ATOM 284 O ALA A 19 10.723 2.496 -12.174 1.00 0.00 O ATOM 285 CB ALA A 19 10.042 0.557 -14.197 1.00 0.00 C ATOM 0 H ALA A 19 7.598 2.135 -14.198 1.00 0.00 H new ATOM 0 HA ALA A 19 9.007 0.288 -12.329 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.028 0.405 -13.757 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.684 -0.383 -14.617 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.108 1.306 -14.987 1.00 0.00 H new ATOM 291 N GLN A 20 8.705 3.332 -12.421 1.00 0.00 N ATOM 292 CA GLN A 20 9.125 4.645 -11.857 1.00 0.00 C ATOM 293 C GLN A 20 8.910 4.644 -10.343 1.00 0.00 C ATOM 294 O GLN A 20 9.683 5.211 -9.597 1.00 0.00 O ATOM 295 CB GLN A 20 8.287 5.759 -12.489 1.00 0.00 C ATOM 296 CG GLN A 20 9.180 6.625 -13.381 1.00 0.00 C ATOM 297 CD GLN A 20 8.480 7.955 -13.666 1.00 0.00 C ATOM 298 OE1 GLN A 20 8.283 8.318 -14.809 1.00 0.00 O ATOM 299 NE2 GLN A 20 8.094 8.703 -12.668 1.00 0.00 N ATOM 0 H GLN A 20 7.726 3.274 -12.700 1.00 0.00 H new ATOM 0 HA GLN A 20 10.180 4.813 -12.073 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.475 5.330 -13.076 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.829 6.370 -11.711 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.137 6.803 -12.892 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.392 6.106 -14.316 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.259 8.398 -11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.627 9.592 -12.848 1.00 0.00 H new ATOM 308 N ALA A 21 7.865 4.012 -9.882 1.00 0.00 N ATOM 309 CA ALA A 21 7.603 3.978 -8.415 1.00 0.00 C ATOM 310 C ALA A 21 8.574 3.002 -7.747 1.00 0.00 C ATOM 311 O ALA A 21 8.908 3.138 -6.588 1.00 0.00 O ATOM 312 CB ALA A 21 6.165 3.523 -8.162 1.00 0.00 C ATOM 0 H ALA A 21 7.182 3.518 -10.457 1.00 0.00 H new ATOM 0 HA ALA A 21 7.745 4.975 -7.997 1.00 0.00 H new ATOM 0 HB1 ALA A 21 5.975 3.498 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.474 4.219 -8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.020 2.526 -8.579 1.00 0.00 H new ATOM 318 N GLU A 22 9.030 2.017 -8.472 1.00 0.00 N ATOM 319 CA GLU A 22 9.981 1.034 -7.879 1.00 0.00 C ATOM 320 C GLU A 22 11.365 1.674 -7.764 1.00 0.00 C ATOM 321 O GLU A 22 12.146 1.339 -6.895 1.00 0.00 O ATOM 322 CB GLU A 22 10.064 -0.201 -8.781 1.00 0.00 C ATOM 323 CG GLU A 22 9.520 -1.419 -8.033 1.00 0.00 C ATOM 324 CD GLU A 22 10.673 -2.158 -7.351 1.00 0.00 C ATOM 325 OE1 GLU A 22 11.762 -2.150 -7.901 1.00 0.00 O ATOM 326 OE2 GLU A 22 10.448 -2.719 -6.293 1.00 0.00 O ATOM 0 H GLU A 22 8.786 1.851 -9.448 1.00 0.00 H new ATOM 0 HA GLU A 22 9.632 0.739 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.491 -0.036 -9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.097 -0.377 -9.080 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.786 -1.105 -7.291 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.007 -2.085 -8.726 1.00 0.00 H new ATOM 333 N HIS A 23 11.676 2.593 -8.637 1.00 0.00 N ATOM 334 CA HIS A 23 13.010 3.253 -8.581 1.00 0.00 C ATOM 335 C HIS A 23 13.005 4.327 -7.491 1.00 0.00 C ATOM 336 O HIS A 23 13.801 4.297 -6.574 1.00 0.00 O ATOM 337 CB HIS A 23 13.313 3.899 -9.934 1.00 0.00 C ATOM 338 CG HIS A 23 14.798 4.076 -10.084 1.00 0.00 C ATOM 339 ND1 HIS A 23 15.682 3.012 -10.001 1.00 0.00 N ATOM 340 CD2 HIS A 23 15.571 5.188 -10.311 1.00 0.00 C ATOM 341 CE1 HIS A 23 16.923 3.501 -10.177 1.00 0.00 C ATOM 342 NE2 HIS A 23 16.912 4.823 -10.369 1.00 0.00 N ATOM 0 H HIS A 23 11.064 2.915 -9.386 1.00 0.00 H new ATOM 0 HA HIS A 23 13.774 2.510 -8.352 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.927 3.276 -10.741 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.812 4.864 -10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 23 15.195 6.194 -10.427 1.00 0.00 H new ATOM 0 HE1 HIS A 23 17.819 2.898 -10.165 1.00 0.00 H new ATOM 0 HE2 HIS A 23 17.714 5.433 -10.525 1.00 0.00 H new ATOM 350 N MET A 24 12.115 5.277 -7.581 1.00 0.00 N ATOM 351 CA MET A 24 12.065 6.349 -6.548 1.00 0.00 C ATOM 352 C MET A 24 11.911 5.720 -5.161 1.00 0.00 C ATOM 353 O MET A 24 12.244 6.318 -4.158 1.00 0.00 O ATOM 354 CB MET A 24 10.873 7.269 -6.822 1.00 0.00 C ATOM 355 CG MET A 24 9.570 6.487 -6.649 1.00 0.00 C ATOM 356 SD MET A 24 8.239 7.625 -6.188 1.00 0.00 S ATOM 357 CE MET A 24 7.263 7.459 -7.701 1.00 0.00 C ATOM 0 H MET A 24 11.421 5.357 -8.324 1.00 0.00 H new ATOM 0 HA MET A 24 12.988 6.927 -6.585 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.892 8.119 -6.139 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.936 7.671 -7.833 1.00 0.00 H new ATOM 0 HG2 MET A 24 9.317 5.971 -7.575 1.00 0.00 H new ATOM 0 HG3 MET A 24 9.691 5.723 -5.882 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.785 8.411 -7.932 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.916 7.171 -8.525 1.00 0.00 H new ATOM 0 HE3 MET A 24 6.499 6.694 -7.559 1.00 0.00 H new ATOM 367 N LEU A 25 11.403 4.520 -5.098 1.00 0.00 N ATOM 368 CA LEU A 25 11.222 3.857 -3.775 1.00 0.00 C ATOM 369 C LEU A 25 12.521 3.159 -3.367 1.00 0.00 C ATOM 370 O LEU A 25 12.848 3.072 -2.201 1.00 0.00 O ATOM 371 CB LEU A 25 10.096 2.826 -3.871 1.00 0.00 C ATOM 372 CG LEU A 25 8.744 3.536 -3.779 1.00 0.00 C ATOM 373 CD1 LEU A 25 7.617 2.511 -3.920 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.625 4.234 -2.422 1.00 0.00 C ATOM 0 H LEU A 25 11.106 3.970 -5.904 1.00 0.00 H new ATOM 0 HA LEU A 25 10.966 4.607 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.168 2.279 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.190 2.094 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 25 8.669 4.274 -4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.654 3.018 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.699 2.011 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.694 1.773 -3.121 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.662 4.740 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.702 3.495 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.427 4.965 -2.317 1.00 0.00 H new ATOM 386 N MET A 26 13.265 2.658 -4.315 1.00 0.00 N ATOM 387 CA MET A 26 14.542 1.965 -3.977 1.00 0.00 C ATOM 388 C MET A 26 15.532 2.968 -3.376 1.00 0.00 C ATOM 389 O MET A 26 16.496 2.597 -2.736 1.00 0.00 O ATOM 390 CB MET A 26 15.142 1.346 -5.242 1.00 0.00 C ATOM 391 CG MET A 26 15.697 2.450 -6.147 1.00 0.00 C ATOM 392 SD MET A 26 17.451 2.139 -6.471 1.00 0.00 S ATOM 393 CE MET A 26 17.838 3.755 -7.186 1.00 0.00 C ATOM 0 H MET A 26 13.044 2.698 -5.310 1.00 0.00 H new ATOM 0 HA MET A 26 14.342 1.178 -3.250 1.00 0.00 H new ATOM 0 HB2 MET A 26 15.936 0.648 -4.975 1.00 0.00 H new ATOM 0 HB3 MET A 26 14.381 0.775 -5.774 1.00 0.00 H new ATOM 0 HG2 MET A 26 15.142 2.479 -7.085 1.00 0.00 H new ATOM 0 HG3 MET A 26 15.571 3.423 -5.672 1.00 0.00 H new ATOM 0 HE1 MET A 26 18.553 3.631 -7.999 1.00 0.00 H new ATOM 0 HE2 MET A 26 16.926 4.210 -7.571 1.00 0.00 H new ATOM 0 HE3 MET A 26 18.269 4.398 -6.419 1.00 0.00 H new ATOM 403 N ARG A 27 15.308 4.237 -3.589 1.00 0.00 N ATOM 404 CA ARG A 27 16.241 5.266 -3.046 1.00 0.00 C ATOM 405 C ARG A 27 16.229 5.245 -1.518 1.00 0.00 C ATOM 406 O ARG A 27 17.027 5.899 -0.876 1.00 0.00 O ATOM 407 CB ARG A 27 15.802 6.647 -3.527 1.00 0.00 C ATOM 408 CG ARG A 27 16.819 7.168 -4.534 1.00 0.00 C ATOM 409 CD ARG A 27 16.941 8.687 -4.405 1.00 0.00 C ATOM 410 NE ARG A 27 17.513 9.250 -5.661 1.00 0.00 N ATOM 411 CZ ARG A 27 17.429 10.531 -5.899 1.00 0.00 C ATOM 412 NH1 ARG A 27 16.326 11.174 -5.631 1.00 0.00 N ATOM 413 NH2 ARG A 27 18.450 11.169 -6.406 1.00 0.00 N ATOM 0 H ARG A 27 14.517 4.606 -4.117 1.00 0.00 H new ATOM 0 HA ARG A 27 17.249 5.046 -3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.814 6.590 -3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.723 7.332 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.788 6.700 -4.362 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.512 6.903 -5.546 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.962 9.126 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.578 8.940 -3.558 1.00 0.00 H new ATOM 0 HE ARG A 27 17.970 8.635 -6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.529 10.676 -5.235 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.261 12.175 -5.817 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.312 10.666 -6.616 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.385 12.170 -6.592 1.00 0.00 H new ATOM 427 N VAL A 28 15.337 4.507 -0.927 1.00 0.00 N ATOM 428 CA VAL A 28 15.289 4.458 0.558 1.00 0.00 C ATOM 429 C VAL A 28 16.296 3.420 1.064 1.00 0.00 C ATOM 430 O VAL A 28 16.319 2.301 0.591 1.00 0.00 O ATOM 431 CB VAL A 28 13.882 4.065 1.001 1.00 0.00 C ATOM 432 CG1 VAL A 28 13.500 2.732 0.356 1.00 0.00 C ATOM 433 CG2 VAL A 28 13.852 3.925 2.523 1.00 0.00 C ATOM 0 H VAL A 28 14.640 3.936 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 28 15.541 5.436 0.968 1.00 0.00 H new ATOM 0 HB VAL A 28 13.172 4.833 0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.495 2.450 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.525 2.832 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.207 1.962 0.665 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.848 3.644 2.843 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.560 3.156 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.126 4.875 2.981 1.00 0.00 H new ATOM 443 N PRO A 29 17.106 3.825 2.009 1.00 0.00 N ATOM 444 CA PRO A 29 18.160 2.985 2.635 1.00 0.00 C ATOM 445 C PRO A 29 17.546 2.055 3.685 1.00 0.00 C ATOM 446 O PRO A 29 17.647 2.292 4.872 1.00 0.00 O ATOM 447 CB PRO A 29 19.127 3.965 3.296 1.00 0.00 C ATOM 448 CG PRO A 29 18.329 5.250 3.540 1.00 0.00 C ATOM 449 CD PRO A 29 17.107 5.189 2.612 1.00 0.00 C ATOM 0 HA PRO A 29 18.662 2.354 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.511 3.561 4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.987 4.156 2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.021 5.323 4.583 1.00 0.00 H new ATOM 0 HG3 PRO A 29 18.936 6.130 3.325 1.00 0.00 H new ATOM 0 HD2 PRO A 29 16.187 5.369 3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 29 17.167 5.955 1.839 1.00 0.00 H new ATOM 457 N ARG A 30 16.917 0.996 3.257 1.00 0.00 N ATOM 458 CA ARG A 30 16.301 0.051 4.231 1.00 0.00 C ATOM 459 C ARG A 30 15.117 0.725 4.925 1.00 0.00 C ATOM 460 O ARG A 30 15.257 1.760 5.546 1.00 0.00 O ATOM 461 CB ARG A 30 17.343 -0.354 5.277 1.00 0.00 C ATOM 462 CG ARG A 30 16.977 -1.720 5.859 1.00 0.00 C ATOM 463 CD ARG A 30 17.033 -1.654 7.387 1.00 0.00 C ATOM 464 NE ARG A 30 17.997 -2.672 7.894 1.00 0.00 N ATOM 465 CZ ARG A 30 18.428 -2.606 9.124 1.00 0.00 C ATOM 466 NH1 ARG A 30 19.323 -1.716 9.455 1.00 0.00 N ATOM 467 NH2 ARG A 30 17.965 -3.431 10.022 1.00 0.00 N ATOM 0 H ARG A 30 16.803 0.744 2.275 1.00 0.00 H new ATOM 0 HA ARG A 30 15.951 -0.836 3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.333 -0.394 4.823 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.386 0.392 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 30 15.978 -2.011 5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 30 17.666 -2.480 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.338 -0.658 7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 30 16.043 -1.835 7.806 1.00 0.00 H new ATOM 0 HE ARG A 30 18.320 -3.420 7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.686 -1.072 8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.660 -1.665 10.416 1.00 0.00 H new ATOM 0 HH21 ARG A 30 17.266 -4.127 9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 30 18.302 -3.380 10.983 1.00 0.00 H new ATOM 481 N ASP A 31 13.953 0.143 4.824 1.00 0.00 N ATOM 482 CA ASP A 31 12.755 0.744 5.476 1.00 0.00 C ATOM 483 C ASP A 31 11.497 0.030 4.976 1.00 0.00 C ATOM 484 O ASP A 31 11.520 -0.658 3.977 1.00 0.00 O ATOM 485 CB ASP A 31 12.671 2.231 5.124 1.00 0.00 C ATOM 486 CG ASP A 31 12.859 3.070 6.389 1.00 0.00 C ATOM 487 OD1 ASP A 31 13.319 2.521 7.377 1.00 0.00 O ATOM 488 OD2 ASP A 31 12.540 4.246 6.349 1.00 0.00 O ATOM 0 H ASP A 31 13.780 -0.725 4.317 1.00 0.00 H new ATOM 0 HA ASP A 31 12.834 0.633 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.436 2.485 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.706 2.453 4.668 1.00 0.00 H new ATOM 493 N GLY A 32 10.397 0.189 5.662 1.00 0.00 N ATOM 494 CA GLY A 32 9.139 -0.481 5.221 1.00 0.00 C ATOM 495 C GLY A 32 8.041 0.571 5.041 1.00 0.00 C ATOM 496 O GLY A 32 6.986 0.488 5.638 1.00 0.00 O ATOM 0 H GLY A 32 10.315 0.753 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.306 -1.013 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.831 -1.222 5.958 1.00 0.00 H new ATOM 500 N ALA A 33 8.283 1.559 4.224 1.00 0.00 N ATOM 501 CA ALA A 33 7.258 2.620 4.009 1.00 0.00 C ATOM 502 C ALA A 33 6.113 2.063 3.161 1.00 0.00 C ATOM 503 O ALA A 33 6.334 1.356 2.200 1.00 0.00 O ATOM 504 CB ALA A 33 7.896 3.807 3.287 1.00 0.00 C ATOM 0 H ALA A 33 9.147 1.678 3.695 1.00 0.00 H new ATOM 0 HA ALA A 33 6.869 2.947 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.147 4.583 3.130 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.710 4.206 3.892 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.287 3.480 2.324 1.00 0.00 H new ATOM 510 N PHE A 34 4.891 2.375 3.506 1.00 0.00 N ATOM 511 CA PHE A 34 3.742 1.853 2.709 1.00 0.00 C ATOM 512 C PHE A 34 3.016 3.011 2.011 1.00 0.00 C ATOM 513 O PHE A 34 2.779 4.050 2.593 1.00 0.00 O ATOM 514 CB PHE A 34 2.781 1.085 3.639 1.00 0.00 C ATOM 515 CG PHE A 34 1.657 1.980 4.120 1.00 0.00 C ATOM 516 CD1 PHE A 34 1.916 2.998 5.046 1.00 0.00 C ATOM 517 CD2 PHE A 34 0.358 1.789 3.635 1.00 0.00 C ATOM 518 CE1 PHE A 34 0.875 3.822 5.489 1.00 0.00 C ATOM 519 CE2 PHE A 34 -0.683 2.614 4.077 1.00 0.00 C ATOM 520 CZ PHE A 34 -0.425 3.630 5.005 1.00 0.00 C ATOM 0 H PHE A 34 4.640 2.965 4.300 1.00 0.00 H new ATOM 0 HA PHE A 34 4.109 1.171 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.366 0.227 3.110 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.332 0.696 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.919 3.147 5.418 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.159 1.005 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.074 4.606 6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.685 2.467 3.702 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.228 4.265 5.348 1.00 0.00 H new ATOM 530 N LEU A 35 2.659 2.832 0.766 1.00 0.00 N ATOM 531 CA LEU A 35 1.946 3.914 0.027 1.00 0.00 C ATOM 532 C LEU A 35 0.954 3.288 -0.959 1.00 0.00 C ATOM 533 O LEU A 35 1.043 2.121 -1.284 1.00 0.00 O ATOM 534 CB LEU A 35 2.961 4.759 -0.749 1.00 0.00 C ATOM 535 CG LEU A 35 4.181 5.038 0.128 1.00 0.00 C ATOM 536 CD1 LEU A 35 5.319 5.582 -0.737 1.00 0.00 C ATOM 537 CD2 LEU A 35 3.814 6.072 1.195 1.00 0.00 C ATOM 0 H LEU A 35 2.831 1.982 0.229 1.00 0.00 H new ATOM 0 HA LEU A 35 1.411 4.545 0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.265 4.236 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.503 5.698 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 35 4.501 4.114 0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.189 5.781 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.580 4.847 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.000 6.506 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.683 6.272 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.494 6.995 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.003 5.686 1.812 1.00 0.00 H new ATOM 549 N VAL A 36 0.011 4.055 -1.441 1.00 0.00 N ATOM 550 CA VAL A 36 -0.979 3.497 -2.409 1.00 0.00 C ATOM 551 C VAL A 36 -0.846 4.225 -3.748 1.00 0.00 C ATOM 552 O VAL A 36 -0.325 5.319 -3.816 1.00 0.00 O ATOM 553 CB VAL A 36 -2.394 3.690 -1.862 1.00 0.00 C ATOM 554 CG1 VAL A 36 -3.332 2.669 -2.509 1.00 0.00 C ATOM 555 CG2 VAL A 36 -2.386 3.484 -0.346 1.00 0.00 C ATOM 0 H VAL A 36 -0.116 5.040 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.788 2.433 -2.552 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.739 4.698 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.341 2.805 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.337 2.813 -3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.987 1.661 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.394 3.621 0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.042 2.475 -0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.716 4.209 0.116 1.00 0.00 H new ATOM 565 N ARG A 37 -1.309 3.634 -4.820 1.00 0.00 N ATOM 566 CA ARG A 37 -1.196 4.319 -6.137 1.00 0.00 C ATOM 567 C ARG A 37 -2.090 3.622 -7.165 1.00 0.00 C ATOM 568 O ARG A 37 -2.623 2.557 -6.923 1.00 0.00 O ATOM 569 CB ARG A 37 0.263 4.292 -6.608 1.00 0.00 C ATOM 570 CG ARG A 37 0.601 2.921 -7.200 1.00 0.00 C ATOM 571 CD ARG A 37 0.805 3.058 -8.711 1.00 0.00 C ATOM 572 NE ARG A 37 2.258 2.975 -9.025 1.00 0.00 N ATOM 573 CZ ARG A 37 2.650 2.774 -10.254 1.00 0.00 C ATOM 574 NH1 ARG A 37 2.072 3.413 -11.234 1.00 0.00 N ATOM 575 NH2 ARG A 37 3.619 1.936 -10.500 1.00 0.00 N ATOM 0 H ARG A 37 -1.755 2.717 -4.839 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.519 5.355 -6.032 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.426 5.069 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.927 4.509 -5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.503 2.524 -6.734 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.203 2.215 -6.993 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.263 2.270 -9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.401 4.009 -9.059 1.00 0.00 H new ATOM 0 HE ARG A 37 2.947 3.075 -8.280 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.315 4.068 -11.039 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.377 3.257 -12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 37 4.070 1.438 -9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.926 1.779 -11.460 1.00 0.00 H new ATOM 589 N LYS A 38 -2.249 4.215 -8.316 1.00 0.00 N ATOM 590 CA LYS A 38 -3.098 3.590 -9.366 1.00 0.00 C ATOM 591 C LYS A 38 -2.195 2.965 -10.428 1.00 0.00 C ATOM 592 O LYS A 38 -1.098 3.427 -10.674 1.00 0.00 O ATOM 593 CB LYS A 38 -3.987 4.656 -10.011 1.00 0.00 C ATOM 594 CG LYS A 38 -5.314 4.741 -9.254 1.00 0.00 C ATOM 595 CD LYS A 38 -5.180 5.731 -8.096 1.00 0.00 C ATOM 596 CE LYS A 38 -5.567 5.041 -6.787 1.00 0.00 C ATOM 597 NZ LYS A 38 -7.036 5.172 -6.572 1.00 0.00 N ATOM 0 H LYS A 38 -1.826 5.107 -8.574 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.729 2.821 -8.920 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.484 5.623 -9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.168 4.409 -11.057 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.109 5.059 -9.928 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.592 3.758 -8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.156 6.100 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.821 6.596 -8.267 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.286 3.988 -6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.025 5.488 -5.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.220 5.426 -5.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.413 5.914 -7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.501 4.267 -6.790 1.00 0.00 H new ATOM 611 N ARG A 39 -2.641 1.915 -11.054 1.00 0.00 N ATOM 612 CA ARG A 39 -1.802 1.260 -12.095 1.00 0.00 C ATOM 613 C ARG A 39 -2.184 1.803 -13.473 1.00 0.00 C ATOM 614 O ARG A 39 -2.664 2.912 -13.601 1.00 0.00 O ATOM 615 CB ARG A 39 -2.032 -0.251 -12.045 1.00 0.00 C ATOM 616 CG ARG A 39 -1.706 -0.760 -10.639 1.00 0.00 C ATOM 617 CD ARG A 39 -0.217 -0.550 -10.355 1.00 0.00 C ATOM 618 NE ARG A 39 -0.049 0.101 -9.026 1.00 0.00 N ATOM 619 CZ ARG A 39 1.122 0.110 -8.447 1.00 0.00 C ATOM 620 NH1 ARG A 39 2.200 -0.098 -9.153 1.00 0.00 N ATOM 621 NH2 ARG A 39 1.215 0.326 -7.163 1.00 0.00 N ATOM 0 H ARG A 39 -3.550 1.481 -10.891 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.749 1.471 -11.910 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.067 -0.483 -12.298 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.404 -0.752 -12.781 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.307 -0.230 -9.900 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.958 -1.817 -10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.305 -1.507 -10.371 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.228 0.069 -11.134 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.848 0.540 -8.568 1.00 0.00 H new ATOM 0 HH11 ARG A 39 2.128 -0.267 -10.156 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.115 -0.091 -8.701 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.373 0.488 -6.611 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.130 0.333 -6.712 1.00 0.00 H new ATOM 635 N ASN A 40 -1.969 1.036 -14.505 1.00 0.00 N ATOM 636 CA ASN A 40 -2.317 1.514 -15.873 1.00 0.00 C ATOM 637 C ASN A 40 -3.781 1.181 -16.174 1.00 0.00 C ATOM 638 O ASN A 40 -4.117 0.728 -17.250 1.00 0.00 O ATOM 639 CB ASN A 40 -1.415 0.826 -16.901 1.00 0.00 C ATOM 640 CG ASN A 40 -1.271 -0.655 -16.546 1.00 0.00 C ATOM 641 OD1 ASN A 40 -2.195 -1.426 -16.720 1.00 0.00 O ATOM 642 ND2 ASN A 40 -0.144 -1.088 -16.052 1.00 0.00 N ATOM 0 H ASN A 40 -1.568 0.099 -14.461 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.171 2.593 -15.927 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.838 0.932 -17.900 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.435 1.303 -16.918 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.038 -2.074 -15.812 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.631 -0.441 -15.906 1.00 0.00 H new ATOM 649 N GLU A 41 -4.655 1.407 -15.231 1.00 0.00 N ATOM 650 CA GLU A 41 -6.095 1.106 -15.461 1.00 0.00 C ATOM 651 C GLU A 41 -6.936 1.827 -14.406 1.00 0.00 C ATOM 652 O GLU A 41 -6.496 2.024 -13.291 1.00 0.00 O ATOM 653 CB GLU A 41 -6.326 -0.403 -15.359 1.00 0.00 C ATOM 654 CG GLU A 41 -6.393 -1.003 -16.765 1.00 0.00 C ATOM 655 CD GLU A 41 -7.282 -2.248 -16.748 1.00 0.00 C ATOM 656 OE1 GLU A 41 -7.420 -2.840 -15.691 1.00 0.00 O ATOM 657 OE2 GLU A 41 -7.808 -2.588 -17.795 1.00 0.00 O ATOM 0 H GLU A 41 -4.433 1.787 -14.311 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.386 1.447 -16.455 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.520 -0.868 -14.791 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.252 -0.605 -14.821 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.790 -0.269 -17.466 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.392 -1.263 -17.109 1.00 0.00 H new ATOM 664 N PRO A 42 -8.124 2.200 -14.798 1.00 0.00 N ATOM 665 CA PRO A 42 -9.111 2.915 -13.947 1.00 0.00 C ATOM 666 C PRO A 42 -9.806 1.933 -13.000 1.00 0.00 C ATOM 667 O PRO A 42 -10.743 2.282 -12.308 1.00 0.00 O ATOM 668 CB PRO A 42 -10.120 3.526 -14.917 1.00 0.00 C ATOM 669 CG PRO A 42 -10.035 2.693 -16.200 1.00 0.00 C ATOM 670 CD PRO A 42 -8.683 1.968 -16.159 1.00 0.00 C ATOM 0 HA PRO A 42 -8.637 3.675 -13.327 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -11.127 3.498 -14.500 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.886 4.572 -15.115 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.857 1.979 -16.254 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.107 3.330 -17.082 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.808 0.902 -16.351 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.012 2.354 -16.926 1.00 0.00 H new ATOM 678 N ASN A 43 -9.357 0.708 -12.963 1.00 0.00 N ATOM 679 CA ASN A 43 -9.995 -0.291 -12.062 1.00 0.00 C ATOM 680 C ASN A 43 -8.962 -0.813 -11.058 1.00 0.00 C ATOM 681 O ASN A 43 -7.779 -0.851 -11.335 1.00 0.00 O ATOM 682 CB ASN A 43 -10.528 -1.459 -12.896 1.00 0.00 C ATOM 683 CG ASN A 43 -11.814 -1.996 -12.264 1.00 0.00 C ATOM 684 OD1 ASN A 43 -11.794 -2.997 -11.577 1.00 0.00 O ATOM 685 ND2 ASN A 43 -12.940 -1.369 -12.471 1.00 0.00 N ATOM 0 H ASN A 43 -8.576 0.357 -13.518 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.817 0.180 -11.523 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.722 -1.131 -13.917 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.780 -2.250 -12.952 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.803 -1.720 -12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.957 -0.528 -13.048 1.00 0.00 H new ATOM 692 N SER A 44 -9.409 -1.219 -9.898 1.00 0.00 N ATOM 693 CA SER A 44 -8.472 -1.750 -8.863 1.00 0.00 C ATOM 694 C SER A 44 -7.326 -0.762 -8.615 1.00 0.00 C ATOM 695 O SER A 44 -7.283 0.317 -9.170 1.00 0.00 O ATOM 696 CB SER A 44 -7.901 -3.093 -9.326 1.00 0.00 C ATOM 697 OG SER A 44 -7.950 -3.169 -10.744 1.00 0.00 O ATOM 0 H SER A 44 -10.391 -1.205 -9.621 1.00 0.00 H new ATOM 0 HA SER A 44 -9.023 -1.887 -7.932 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.872 -3.200 -8.981 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.471 -3.912 -8.888 1.00 0.00 H new ATOM 0 HG SER A 44 -7.387 -2.465 -11.129 1.00 0.00 H new ATOM 703 N TYR A 45 -6.396 -1.133 -7.773 1.00 0.00 N ATOM 704 CA TYR A 45 -5.244 -0.234 -7.469 1.00 0.00 C ATOM 705 C TYR A 45 -4.084 -1.085 -6.949 1.00 0.00 C ATOM 706 O TYR A 45 -4.040 -2.280 -7.166 1.00 0.00 O ATOM 707 CB TYR A 45 -5.648 0.782 -6.397 1.00 0.00 C ATOM 708 CG TYR A 45 -7.117 1.108 -6.534 1.00 0.00 C ATOM 709 CD1 TYR A 45 -8.078 0.230 -6.021 1.00 0.00 C ATOM 710 CD2 TYR A 45 -7.515 2.283 -7.180 1.00 0.00 C ATOM 711 CE1 TYR A 45 -9.439 0.529 -6.152 1.00 0.00 C ATOM 712 CE2 TYR A 45 -8.876 2.583 -7.310 1.00 0.00 C ATOM 713 CZ TYR A 45 -9.838 1.705 -6.796 1.00 0.00 C ATOM 714 OH TYR A 45 -11.181 2.000 -6.924 1.00 0.00 O ATOM 0 H TYR A 45 -6.386 -2.026 -7.280 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.945 0.300 -8.371 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.446 0.378 -5.405 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.053 1.689 -6.499 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.770 -0.678 -5.524 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.772 2.959 -7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.181 -0.148 -5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.184 3.491 -7.807 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.670 1.191 -7.182 1.00 0.00 H new ATOM 724 N ALA A 46 -3.143 -0.494 -6.260 1.00 0.00 N ATOM 725 CA ALA A 46 -2.006 -1.300 -5.737 1.00 0.00 C ATOM 726 C ALA A 46 -1.254 -0.495 -4.677 1.00 0.00 C ATOM 727 O ALA A 46 -1.007 0.683 -4.836 1.00 0.00 O ATOM 728 CB ALA A 46 -1.063 -1.658 -6.888 1.00 0.00 C ATOM 0 H ALA A 46 -3.114 0.501 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.385 -2.217 -5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.230 -2.248 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.605 -2.237 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.681 -0.744 -7.343 1.00 0.00 H new ATOM 734 N ILE A 47 -0.898 -1.121 -3.588 1.00 0.00 N ATOM 735 CA ILE A 47 -0.173 -0.391 -2.511 1.00 0.00 C ATOM 736 C ILE A 47 1.338 -0.499 -2.727 1.00 0.00 C ATOM 737 O ILE A 47 1.934 -1.534 -2.507 1.00 0.00 O ATOM 738 CB ILE A 47 -0.535 -0.996 -1.154 1.00 0.00 C ATOM 739 CG1 ILE A 47 -2.059 -1.071 -1.022 1.00 0.00 C ATOM 740 CG2 ILE A 47 0.032 -0.121 -0.036 1.00 0.00 C ATOM 741 CD1 ILE A 47 -2.453 -2.417 -0.412 1.00 0.00 C ATOM 0 H ILE A 47 -1.078 -2.107 -3.398 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.463 0.659 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.113 -1.998 -1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.421 -0.256 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.526 -0.952 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.227 -0.553 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.117 -0.067 -0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.389 0.882 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.538 -2.470 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.104 -3.224 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.998 -2.517 0.573 1.00 0.00 H new ATOM 753 N SER A 48 1.964 0.566 -3.148 1.00 0.00 N ATOM 754 CA SER A 48 3.436 0.528 -3.368 1.00 0.00 C ATOM 755 C SER A 48 4.148 0.806 -2.042 1.00 0.00 C ATOM 756 O SER A 48 4.109 1.904 -1.526 1.00 0.00 O ATOM 757 CB SER A 48 3.826 1.596 -4.391 1.00 0.00 C ATOM 758 OG SER A 48 3.279 2.846 -3.995 1.00 0.00 O ATOM 0 H SER A 48 1.518 1.461 -3.349 1.00 0.00 H new ATOM 0 HA SER A 48 3.727 -0.453 -3.742 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.911 1.667 -4.464 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.458 1.321 -5.379 1.00 0.00 H new ATOM 0 HG SER A 48 3.528 3.534 -4.647 1.00 0.00 H new ATOM 764 N PHE A 49 4.795 -0.180 -1.482 1.00 0.00 N ATOM 765 CA PHE A 49 5.500 0.037 -0.188 1.00 0.00 C ATOM 766 C PHE A 49 6.968 -0.379 -0.322 1.00 0.00 C ATOM 767 O PHE A 49 7.276 -1.469 -0.759 1.00 0.00 O ATOM 768 CB PHE A 49 4.819 -0.795 0.910 1.00 0.00 C ATOM 769 CG PHE A 49 5.258 -2.237 0.815 1.00 0.00 C ATOM 770 CD1 PHE A 49 4.782 -3.046 -0.221 1.00 0.00 C ATOM 771 CD2 PHE A 49 6.144 -2.761 1.764 1.00 0.00 C ATOM 772 CE1 PHE A 49 5.192 -4.381 -0.308 1.00 0.00 C ATOM 773 CE2 PHE A 49 6.554 -4.096 1.677 1.00 0.00 C ATOM 774 CZ PHE A 49 6.078 -4.906 0.641 1.00 0.00 C ATOM 0 H PHE A 49 4.865 -1.123 -1.864 1.00 0.00 H new ATOM 0 HA PHE A 49 5.454 1.093 0.078 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.072 -0.393 1.891 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.736 -0.729 0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 49 4.099 -2.641 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 49 6.511 -2.135 2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.825 -5.007 -1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 49 7.237 -4.500 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 49 6.394 -5.937 0.573 1.00 0.00 H new ATOM 784 N ARG A 50 7.875 0.481 0.055 1.00 0.00 N ATOM 785 CA ARG A 50 9.319 0.131 -0.046 1.00 0.00 C ATOM 786 C ARG A 50 9.737 -0.643 1.205 1.00 0.00 C ATOM 787 O ARG A 50 9.711 -0.124 2.303 1.00 0.00 O ATOM 788 CB ARG A 50 10.149 1.412 -0.155 1.00 0.00 C ATOM 789 CG ARG A 50 9.894 2.292 1.071 1.00 0.00 C ATOM 790 CD ARG A 50 9.659 3.736 0.623 1.00 0.00 C ATOM 791 NE ARG A 50 10.174 4.667 1.664 1.00 0.00 N ATOM 792 CZ ARG A 50 10.357 5.928 1.379 1.00 0.00 C ATOM 793 NH1 ARG A 50 11.092 6.264 0.354 1.00 0.00 N ATOM 794 NH2 ARG A 50 9.804 6.850 2.117 1.00 0.00 N ATOM 0 H ARG A 50 7.678 1.410 0.428 1.00 0.00 H new ATOM 0 HA ARG A 50 9.486 -0.484 -0.931 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.209 1.166 -0.225 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.886 1.952 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 50 9.028 1.925 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.746 2.245 1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.162 3.920 -0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.595 3.909 0.459 1.00 0.00 H new ATOM 0 HE ARG A 50 10.384 4.320 2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.523 5.542 -0.223 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.236 7.249 0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.229 6.586 2.917 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.947 7.835 1.894 1.00 0.00 H new ATOM 808 N ALA A 51 10.120 -1.882 1.047 1.00 0.00 N ATOM 809 CA ALA A 51 10.536 -2.691 2.225 1.00 0.00 C ATOM 810 C ALA A 51 12.063 -2.685 2.334 1.00 0.00 C ATOM 811 O ALA A 51 12.745 -2.004 1.595 1.00 0.00 O ATOM 812 CB ALA A 51 10.040 -4.130 2.059 1.00 0.00 C ATOM 0 H ALA A 51 10.162 -2.368 0.151 1.00 0.00 H new ATOM 0 HA ALA A 51 10.106 -2.262 3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.345 -4.722 2.922 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.953 -4.134 1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.469 -4.561 1.154 1.00 0.00 H new ATOM 818 N GLU A 52 12.605 -3.439 3.252 1.00 0.00 N ATOM 819 CA GLU A 52 14.085 -3.472 3.410 1.00 0.00 C ATOM 820 C GLU A 52 14.721 -4.062 2.149 1.00 0.00 C ATOM 821 O GLU A 52 14.673 -5.253 1.917 1.00 0.00 O ATOM 822 CB GLU A 52 14.451 -4.339 4.616 1.00 0.00 C ATOM 823 CG GLU A 52 15.971 -4.491 4.692 1.00 0.00 C ATOM 824 CD GLU A 52 16.330 -5.976 4.776 1.00 0.00 C ATOM 825 OE1 GLU A 52 15.637 -6.695 5.476 1.00 0.00 O ATOM 826 OE2 GLU A 52 17.292 -6.369 4.137 1.00 0.00 O ATOM 0 H GLU A 52 12.086 -4.033 3.899 1.00 0.00 H new ATOM 0 HA GLU A 52 14.455 -2.458 3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.074 -3.884 5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.981 -5.319 4.529 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.437 -4.042 3.815 1.00 0.00 H new ATOM 0 HG3 GLU A 52 16.357 -3.962 5.563 1.00 0.00 H new ATOM 833 N GLY A 53 15.318 -3.235 1.335 1.00 0.00 N ATOM 834 CA GLY A 53 15.956 -3.748 0.090 1.00 0.00 C ATOM 835 C GLY A 53 14.954 -4.610 -0.678 1.00 0.00 C ATOM 836 O GLY A 53 15.324 -5.438 -1.486 1.00 0.00 O ATOM 0 H GLY A 53 15.391 -2.228 1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 53 16.287 -2.916 -0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 53 16.842 -4.334 0.337 1.00 0.00 H new ATOM 840 N LYS A 54 13.687 -4.420 -0.433 1.00 0.00 N ATOM 841 CA LYS A 54 12.662 -5.227 -1.152 1.00 0.00 C ATOM 842 C LYS A 54 11.419 -4.372 -1.393 1.00 0.00 C ATOM 843 O LYS A 54 10.458 -4.432 -0.651 1.00 0.00 O ATOM 844 CB LYS A 54 12.287 -6.448 -0.309 1.00 0.00 C ATOM 845 CG LYS A 54 13.000 -7.684 -0.858 1.00 0.00 C ATOM 846 CD LYS A 54 12.091 -8.393 -1.865 1.00 0.00 C ATOM 847 CE LYS A 54 12.850 -9.553 -2.511 1.00 0.00 C ATOM 848 NZ LYS A 54 13.936 -9.016 -3.379 1.00 0.00 N ATOM 0 H LYS A 54 13.318 -3.742 0.233 1.00 0.00 H new ATOM 0 HA LYS A 54 13.067 -5.558 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 54 12.568 -6.285 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.208 -6.599 -0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.935 -7.394 -1.337 1.00 0.00 H new ATOM 0 HG3 LYS A 54 13.256 -8.361 -0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.196 -8.764 -1.365 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.760 -7.690 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.272 -10.199 -1.741 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.167 -10.164 -3.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.213 -9.737 -4.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 13.596 -8.168 -3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.758 -8.767 -2.793 1.00 0.00 H new ATOM 862 N ILE A 55 11.427 -3.576 -2.424 1.00 0.00 N ATOM 863 CA ILE A 55 10.246 -2.718 -2.712 1.00 0.00 C ATOM 864 C ILE A 55 9.266 -3.483 -3.602 1.00 0.00 C ATOM 865 O ILE A 55 9.656 -4.177 -4.519 1.00 0.00 O ATOM 866 CB ILE A 55 10.700 -1.446 -3.429 1.00 0.00 C ATOM 867 CG1 ILE A 55 12.027 -0.972 -2.832 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.642 -0.355 -3.254 1.00 0.00 C ATOM 869 CD1 ILE A 55 13.172 -1.345 -3.775 1.00 0.00 C ATOM 0 H ILE A 55 12.202 -3.482 -3.081 1.00 0.00 H new ATOM 0 HA ILE A 55 9.755 -2.450 -1.776 1.00 0.00 H new ATOM 0 HB ILE A 55 10.832 -1.654 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.004 0.107 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 55 12.183 -1.429 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.966 0.551 -3.765 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.697 -0.693 -3.679 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.508 -0.145 -2.193 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.118 -1.008 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.198 -2.427 -3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.017 -0.867 -4.742 1.00 0.00 H new ATOM 881 N LYS A 56 7.993 -3.357 -3.343 1.00 0.00 N ATOM 882 CA LYS A 56 6.988 -4.076 -4.179 1.00 0.00 C ATOM 883 C LYS A 56 5.722 -3.223 -4.297 1.00 0.00 C ATOM 884 O LYS A 56 5.657 -2.116 -3.797 1.00 0.00 O ATOM 885 CB LYS A 56 6.640 -5.434 -3.549 1.00 0.00 C ATOM 886 CG LYS A 56 7.064 -5.467 -2.076 1.00 0.00 C ATOM 887 CD LYS A 56 8.446 -6.110 -1.954 1.00 0.00 C ATOM 888 CE LYS A 56 8.363 -7.588 -2.338 1.00 0.00 C ATOM 889 NZ LYS A 56 9.350 -7.877 -3.417 1.00 0.00 N ATOM 0 H LYS A 56 7.605 -2.788 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 56 7.409 -4.248 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.568 -5.615 -3.629 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.140 -6.234 -4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 56 7.085 -4.455 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.337 -6.030 -1.490 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.156 -5.595 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.816 -6.010 -0.933 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.566 -8.213 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.356 -7.831 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.844 -8.767 -3.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.854 -7.964 -4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.041 -7.102 -3.472 1.00 0.00 H new ATOM 903 N HIS A 57 4.717 -3.726 -4.960 1.00 0.00 N ATOM 904 CA HIS A 57 3.457 -2.946 -5.121 1.00 0.00 C ATOM 905 C HIS A 57 2.256 -3.869 -4.966 1.00 0.00 C ATOM 906 O HIS A 57 1.745 -4.383 -5.931 1.00 0.00 O ATOM 907 CB HIS A 57 3.424 -2.304 -6.510 1.00 0.00 C ATOM 908 CG HIS A 57 4.710 -1.566 -6.757 1.00 0.00 C ATOM 909 ND1 HIS A 57 5.454 -1.744 -7.912 1.00 0.00 N ATOM 910 CD2 HIS A 57 5.395 -0.642 -6.007 1.00 0.00 C ATOM 911 CE1 HIS A 57 6.534 -0.947 -7.826 1.00 0.00 C ATOM 912 NE2 HIS A 57 6.547 -0.252 -6.685 1.00 0.00 N ATOM 0 H HIS A 57 4.714 -4.647 -5.399 1.00 0.00 H new ATOM 0 HA HIS A 57 3.419 -2.169 -4.357 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.281 -3.070 -7.272 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.580 -1.618 -6.585 1.00 0.00 H new ATOM 0 HD2 HIS A 57 5.087 -0.274 -5.039 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.298 -0.877 -8.587 1.00 0.00 H new ATOM 0 HE2 HIS A 57 7.250 0.420 -6.377 1.00 0.00 H new ATOM 920 N CYS A 58 1.802 -4.077 -3.759 1.00 0.00 N ATOM 921 CA CYS A 58 0.624 -4.969 -3.534 1.00 0.00 C ATOM 922 C CYS A 58 -0.483 -4.642 -4.540 1.00 0.00 C ATOM 923 O CYS A 58 -0.511 -3.576 -5.121 1.00 0.00 O ATOM 924 CB CYS A 58 0.090 -4.753 -2.117 1.00 0.00 C ATOM 925 SG CYS A 58 -1.074 -6.074 -1.700 1.00 0.00 S ATOM 0 H CYS A 58 2.198 -3.666 -2.914 1.00 0.00 H new ATOM 0 HA CYS A 58 0.933 -6.006 -3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.915 -4.743 -1.404 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.404 -3.784 -2.047 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.434 -7.202 -1.604 1.00 0.00 H new ATOM 931 N ARG A 59 -1.394 -5.553 -4.746 1.00 0.00 N ATOM 932 CA ARG A 59 -2.502 -5.301 -5.712 1.00 0.00 C ATOM 933 C ARG A 59 -3.836 -5.265 -4.962 1.00 0.00 C ATOM 934 O ARG A 59 -3.955 -5.766 -3.861 1.00 0.00 O ATOM 935 CB ARG A 59 -2.538 -6.423 -6.751 1.00 0.00 C ATOM 936 CG ARG A 59 -2.938 -5.854 -8.113 1.00 0.00 C ATOM 937 CD ARG A 59 -4.411 -6.161 -8.383 1.00 0.00 C ATOM 938 NE ARG A 59 -4.604 -7.635 -8.500 1.00 0.00 N ATOM 939 CZ ARG A 59 -3.689 -8.375 -9.066 1.00 0.00 C ATOM 940 NH1 ARG A 59 -3.235 -8.062 -10.250 1.00 0.00 N ATOM 941 NH2 ARG A 59 -3.228 -9.428 -8.449 1.00 0.00 N ATOM 0 H ARG A 59 -1.419 -6.463 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.337 -4.346 -6.210 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.560 -6.900 -6.819 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.247 -7.192 -6.445 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.771 -4.777 -8.132 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.316 -6.287 -8.896 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.028 -5.767 -7.576 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.733 -5.668 -9.301 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.454 -8.067 -8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.595 -7.239 -10.733 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.520 -8.640 -10.691 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.582 -9.673 -7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.513 -10.006 -8.891 1.00 0.00 H new ATOM 955 N VAL A 60 -4.841 -4.681 -5.552 1.00 0.00 N ATOM 956 CA VAL A 60 -6.169 -4.616 -4.880 1.00 0.00 C ATOM 957 C VAL A 60 -7.269 -4.706 -5.940 1.00 0.00 C ATOM 958 O VAL A 60 -7.132 -4.192 -7.031 1.00 0.00 O ATOM 959 CB VAL A 60 -6.293 -3.296 -4.117 1.00 0.00 C ATOM 960 CG1 VAL A 60 -7.543 -3.329 -3.237 1.00 0.00 C ATOM 961 CG2 VAL A 60 -5.058 -3.099 -3.236 1.00 0.00 C ATOM 0 H VAL A 60 -4.800 -4.245 -6.473 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.269 -5.444 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.370 -2.473 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.630 -2.388 -2.694 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.425 -3.470 -3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.466 -4.152 -2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.145 -2.159 -2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.982 -3.923 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.165 -3.075 -3.861 1.00 0.00 H new ATOM 971 N GLN A 61 -8.355 -5.362 -5.633 1.00 0.00 N ATOM 972 CA GLN A 61 -9.454 -5.490 -6.633 1.00 0.00 C ATOM 973 C GLN A 61 -10.685 -4.722 -6.152 1.00 0.00 C ATOM 974 O GLN A 61 -10.722 -4.218 -5.049 1.00 0.00 O ATOM 975 CB GLN A 61 -9.811 -6.966 -6.807 1.00 0.00 C ATOM 976 CG GLN A 61 -9.494 -7.404 -8.238 1.00 0.00 C ATOM 977 CD GLN A 61 -9.662 -8.920 -8.354 1.00 0.00 C ATOM 978 OE1 GLN A 61 -9.030 -9.670 -7.636 1.00 0.00 O ATOM 979 NE2 GLN A 61 -10.494 -9.406 -9.234 1.00 0.00 N ATOM 0 H GLN A 61 -8.529 -5.814 -4.735 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.124 -5.077 -7.586 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.249 -7.573 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.868 -7.123 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -10.157 -6.899 -8.940 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.475 -7.119 -8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -11.024 -8.777 -9.836 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.614 -10.415 -9.319 1.00 0.00 H new ATOM 988 N GLN A 62 -11.697 -4.631 -6.974 1.00 0.00 N ATOM 989 CA GLN A 62 -12.929 -3.897 -6.566 1.00 0.00 C ATOM 990 C GLN A 62 -14.146 -4.507 -7.266 1.00 0.00 C ATOM 991 O GLN A 62 -14.178 -4.643 -8.473 1.00 0.00 O ATOM 992 CB GLN A 62 -12.796 -2.424 -6.963 1.00 0.00 C ATOM 993 CG GLN A 62 -14.099 -1.686 -6.648 1.00 0.00 C ATOM 994 CD GLN A 62 -14.301 -0.554 -7.658 1.00 0.00 C ATOM 995 OE1 GLN A 62 -13.591 0.431 -7.635 1.00 0.00 O ATOM 996 NE2 GLN A 62 -15.249 -0.654 -8.551 1.00 0.00 N ATOM 0 H GLN A 62 -11.723 -5.034 -7.911 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.058 -3.975 -5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.967 -1.965 -6.424 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.568 -2.343 -8.026 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.940 -2.378 -6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.066 -1.283 -5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.846 -1.481 -8.571 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.393 0.095 -9.228 1.00 0.00 H new ATOM 1005 N GLU A 63 -15.151 -4.874 -6.517 1.00 0.00 N ATOM 1006 CA GLU A 63 -16.369 -5.471 -7.133 1.00 0.00 C ATOM 1007 C GLU A 63 -17.301 -4.354 -7.600 1.00 0.00 C ATOM 1008 O GLU A 63 -16.868 -3.270 -7.935 1.00 0.00 O ATOM 1009 CB GLU A 63 -17.088 -6.338 -6.097 1.00 0.00 C ATOM 1010 CG GLU A 63 -16.064 -7.192 -5.346 1.00 0.00 C ATOM 1011 CD GLU A 63 -15.705 -8.418 -6.188 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -15.177 -8.232 -7.272 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -15.966 -9.520 -5.735 1.00 0.00 O ATOM 0 H GLU A 63 -15.180 -4.785 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.084 -6.086 -7.987 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -17.635 -5.707 -5.396 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.821 -6.978 -6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.169 -6.606 -5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.471 -7.505 -4.384 1.00 0.00 H new ATOM 1020 N GLY A 64 -18.579 -4.610 -7.629 1.00 0.00 N ATOM 1021 CA GLY A 64 -19.540 -3.563 -8.080 1.00 0.00 C ATOM 1022 C GLY A 64 -19.806 -2.572 -6.943 1.00 0.00 C ATOM 1023 O GLY A 64 -20.660 -1.714 -7.047 1.00 0.00 O ATOM 0 H GLY A 64 -19.001 -5.499 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.137 -3.037 -8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.475 -4.027 -8.395 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.087 -2.679 -5.859 1.00 0.00 N ATOM 1028 CA GLN A 65 -19.311 -1.736 -4.726 1.00 0.00 C ATOM 1029 C GLN A 65 -18.302 -2.022 -3.610 1.00 0.00 C ATOM 1030 O GLN A 65 -17.704 -1.122 -3.056 1.00 0.00 O ATOM 1031 CB GLN A 65 -20.730 -1.921 -4.187 1.00 0.00 C ATOM 1032 CG GLN A 65 -21.157 -0.666 -3.426 1.00 0.00 C ATOM 1033 CD GLN A 65 -22.102 -1.057 -2.288 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -21.951 -0.599 -1.172 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -23.076 -1.891 -2.524 1.00 0.00 N ATOM 0 H GLN A 65 -18.357 -3.375 -5.709 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.182 -0.712 -5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -21.420 -2.113 -5.009 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -20.770 -2.789 -3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -20.281 -0.154 -3.026 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -21.653 0.031 -4.102 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -23.203 -2.275 -3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.711 -2.159 -1.772 1.00 0.00 H new ATOM 1044 N THR A 66 -18.114 -3.267 -3.274 1.00 0.00 N ATOM 1045 CA THR A 66 -17.152 -3.611 -2.191 1.00 0.00 C ATOM 1046 C THR A 66 -15.734 -3.669 -2.757 1.00 0.00 C ATOM 1047 O THR A 66 -15.502 -3.392 -3.915 1.00 0.00 O ATOM 1048 CB THR A 66 -17.514 -4.968 -1.558 1.00 0.00 C ATOM 1049 OG1 THR A 66 -16.343 -5.747 -1.383 1.00 0.00 O ATOM 1050 CG2 THR A 66 -18.498 -5.748 -2.433 1.00 0.00 C ATOM 0 H THR A 66 -18.586 -4.063 -3.703 1.00 0.00 H new ATOM 0 HA THR A 66 -17.205 -2.841 -1.422 1.00 0.00 H new ATOM 0 HB THR A 66 -17.983 -4.768 -0.595 1.00 0.00 H new ATOM 0 HG1 THR A 66 -16.049 -5.691 -0.450 1.00 0.00 H new ATOM 0 HG21 THR A 66 -18.732 -6.700 -1.957 1.00 0.00 H new ATOM 0 HG22 THR A 66 -19.413 -5.169 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.050 -5.931 -3.410 1.00 0.00 H new ATOM 1058 N VAL A 67 -14.784 -4.027 -1.940 1.00 0.00 N ATOM 1059 CA VAL A 67 -13.375 -4.110 -2.416 1.00 0.00 C ATOM 1060 C VAL A 67 -12.845 -5.527 -2.172 1.00 0.00 C ATOM 1061 O VAL A 67 -13.530 -6.370 -1.630 1.00 0.00 O ATOM 1062 CB VAL A 67 -12.518 -3.090 -1.655 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -12.153 -3.635 -0.270 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -11.236 -2.810 -2.443 1.00 0.00 C ATOM 0 H VAL A 67 -14.923 -4.267 -0.958 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.330 -3.887 -3.482 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.087 -2.168 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.545 -2.902 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -13.064 -3.829 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.590 -4.562 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.627 -2.085 -1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.674 -3.736 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.492 -2.409 -3.424 1.00 0.00 H new ATOM 1074 N MET A 68 -11.631 -5.792 -2.561 1.00 0.00 N ATOM 1075 CA MET A 68 -11.053 -7.147 -2.344 1.00 0.00 C ATOM 1076 C MET A 68 -9.613 -6.986 -1.864 1.00 0.00 C ATOM 1077 O MET A 68 -8.780 -6.432 -2.555 1.00 0.00 O ATOM 1078 CB MET A 68 -11.076 -7.934 -3.658 1.00 0.00 C ATOM 1079 CG MET A 68 -10.674 -9.388 -3.391 1.00 0.00 C ATOM 1080 SD MET A 68 -12.056 -10.482 -3.802 1.00 0.00 S ATOM 1081 CE MET A 68 -11.091 -11.998 -4.027 1.00 0.00 C ATOM 0 H MET A 68 -11.011 -5.126 -3.022 1.00 0.00 H new ATOM 0 HA MET A 68 -11.636 -7.689 -1.600 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.072 -7.896 -4.099 1.00 0.00 H new ATOM 0 HB3 MET A 68 -10.392 -7.483 -4.376 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.800 -9.650 -3.987 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.396 -9.513 -2.345 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.758 -12.818 -4.291 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.363 -11.851 -4.825 1.00 0.00 H new ATOM 0 HE3 MET A 68 -10.570 -12.238 -3.100 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.308 -7.446 -0.681 1.00 0.00 N ATOM 1092 CA LEU A 69 -7.918 -7.288 -0.177 1.00 0.00 C ATOM 1093 C LEU A 69 -7.182 -8.635 -0.234 1.00 0.00 C ATOM 1094 O LEU A 69 -6.526 -9.042 0.703 1.00 0.00 O ATOM 1095 CB LEU A 69 -7.951 -6.747 1.259 1.00 0.00 C ATOM 1096 CG LEU A 69 -6.524 -6.645 1.808 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -6.195 -5.185 2.114 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -6.412 -7.472 3.091 1.00 0.00 C ATOM 0 H LEU A 69 -9.954 -7.919 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.381 -6.578 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.428 -5.767 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.548 -7.404 1.891 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.823 -7.026 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.180 -5.115 2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.274 -4.595 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.896 -4.802 2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.397 -7.400 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.115 -7.091 3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.644 -8.515 2.873 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.267 -9.318 -1.344 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.550 -10.621 -1.482 1.00 0.00 C ATOM 1112 C GLY A 70 -7.391 -11.781 -0.939 1.00 0.00 C ATOM 1113 O GLY A 70 -7.639 -12.749 -1.629 1.00 0.00 O ATOM 0 H GLY A 70 -7.803 -9.030 -2.163 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.315 -10.800 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.602 -10.575 -0.946 1.00 0.00 H new ATOM 1117 N ASN A 71 -7.809 -11.712 0.295 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.602 -12.835 0.871 1.00 0.00 C ATOM 1119 C ASN A 71 -10.093 -12.622 0.613 1.00 0.00 C ATOM 1120 O ASN A 71 -10.643 -13.124 -0.349 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.354 -12.909 2.378 1.00 0.00 C ATOM 1122 CG ASN A 71 -7.426 -14.085 2.685 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -7.684 -15.200 2.276 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -6.347 -13.883 3.391 1.00 0.00 N ATOM 0 H ASN A 71 -7.637 -10.930 0.927 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.292 -13.766 0.397 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.908 -11.979 2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.299 -13.030 2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.721 -14.661 3.599 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -6.130 -12.947 3.734 1.00 0.00 H new ATOM 1131 N SER A 72 -10.758 -11.895 1.465 1.00 0.00 N ATOM 1132 CA SER A 72 -12.215 -11.670 1.268 1.00 0.00 C ATOM 1133 C SER A 72 -12.454 -10.238 0.793 1.00 0.00 C ATOM 1134 O SER A 72 -11.529 -9.471 0.604 1.00 0.00 O ATOM 1135 CB SER A 72 -12.949 -11.903 2.589 1.00 0.00 C ATOM 1136 OG SER A 72 -12.431 -13.071 3.213 1.00 0.00 O ATOM 0 H SER A 72 -10.356 -11.447 2.289 1.00 0.00 H new ATOM 0 HA SER A 72 -12.591 -12.365 0.517 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.825 -11.041 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.018 -12.016 2.410 1.00 0.00 H new ATOM 0 HG SER A 72 -12.898 -13.223 4.061 1.00 0.00 H new ATOM 1142 N GLU A 73 -13.689 -9.874 0.596 1.00 0.00 N ATOM 1143 CA GLU A 73 -13.992 -8.495 0.131 1.00 0.00 C ATOM 1144 C GLU A 73 -14.434 -7.643 1.324 1.00 0.00 C ATOM 1145 O GLU A 73 -15.031 -8.132 2.261 1.00 0.00 O ATOM 1146 CB GLU A 73 -15.108 -8.547 -0.915 1.00 0.00 C ATOM 1147 CG GLU A 73 -16.358 -9.184 -0.304 1.00 0.00 C ATOM 1148 CD GLU A 73 -16.342 -10.691 -0.562 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -15.500 -11.132 -1.329 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -17.170 -11.379 0.011 1.00 0.00 O ATOM 0 H GLU A 73 -14.502 -10.473 0.737 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.102 -8.052 -0.316 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.336 -7.541 -1.268 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.781 -9.122 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.392 -8.988 0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.254 -8.740 -0.737 1.00 0.00 H new ATOM 1157 N PHE A 74 -14.134 -6.373 1.302 1.00 0.00 N ATOM 1158 CA PHE A 74 -14.528 -5.494 2.439 1.00 0.00 C ATOM 1159 C PHE A 74 -15.400 -4.343 1.920 1.00 0.00 C ATOM 1160 O PHE A 74 -16.047 -4.459 0.900 1.00 0.00 O ATOM 1161 CB PHE A 74 -13.262 -4.947 3.099 1.00 0.00 C ATOM 1162 CG PHE A 74 -12.579 -6.049 3.867 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -11.931 -7.081 3.179 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -12.594 -6.041 5.266 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -11.299 -8.107 3.891 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -11.961 -7.066 5.979 1.00 0.00 C ATOM 1167 CZ PHE A 74 -11.314 -8.099 5.291 1.00 0.00 C ATOM 0 H PHE A 74 -13.633 -5.906 0.546 1.00 0.00 H new ATOM 0 HA PHE A 74 -15.102 -6.061 3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -12.589 -4.546 2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -13.514 -4.125 3.769 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.919 -7.086 2.099 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -13.094 -5.244 5.796 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -10.800 -8.905 3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.972 -7.060 7.059 1.00 0.00 H new ATOM 0 HZ PHE A 74 -10.826 -8.890 5.840 1.00 0.00 H new ATOM 1177 N ASP A 75 -15.435 -3.238 2.617 1.00 0.00 N ATOM 1178 CA ASP A 75 -16.276 -2.094 2.160 1.00 0.00 C ATOM 1179 C ASP A 75 -15.496 -1.240 1.159 1.00 0.00 C ATOM 1180 O ASP A 75 -16.044 -0.747 0.193 1.00 0.00 O ATOM 1181 CB ASP A 75 -16.668 -1.236 3.364 1.00 0.00 C ATOM 1182 CG ASP A 75 -18.151 -1.445 3.679 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -18.970 -1.060 2.860 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -18.443 -1.985 4.733 1.00 0.00 O ATOM 0 H ASP A 75 -14.918 -3.079 3.482 1.00 0.00 H new ATOM 0 HA ASP A 75 -17.174 -2.481 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.060 -1.504 4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.475 -0.184 3.153 1.00 0.00 H new ATOM 1189 N SER A 76 -14.224 -1.051 1.382 1.00 0.00 N ATOM 1190 CA SER A 76 -13.422 -0.220 0.441 1.00 0.00 C ATOM 1191 C SER A 76 -11.982 -0.121 0.946 1.00 0.00 C ATOM 1192 O SER A 76 -11.599 -0.783 1.886 1.00 0.00 O ATOM 1193 CB SER A 76 -14.029 1.182 0.354 1.00 0.00 C ATOM 1194 OG SER A 76 -14.257 1.677 1.668 1.00 0.00 O ATOM 0 H SER A 76 -13.707 -1.435 2.173 1.00 0.00 H new ATOM 0 HA SER A 76 -13.429 -0.682 -0.546 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.357 1.849 -0.187 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.965 1.152 -0.203 1.00 0.00 H new ATOM 0 HG SER A 76 -14.644 2.576 1.616 1.00 0.00 H new ATOM 1200 N LEU A 77 -11.181 0.701 0.330 1.00 0.00 N ATOM 1201 CA LEU A 77 -9.767 0.835 0.782 1.00 0.00 C ATOM 1202 C LEU A 77 -9.695 1.814 1.956 1.00 0.00 C ATOM 1203 O LEU A 77 -8.635 2.083 2.483 1.00 0.00 O ATOM 1204 CB LEU A 77 -8.911 1.364 -0.370 1.00 0.00 C ATOM 1205 CG LEU A 77 -9.343 0.699 -1.676 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -9.833 1.768 -2.656 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -8.151 -0.041 -2.287 1.00 0.00 C ATOM 0 H LEU A 77 -11.442 1.285 -0.465 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.395 -0.140 1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.017 2.446 -0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.858 1.160 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.149 -0.007 -1.475 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.141 1.294 -3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.680 2.299 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.027 2.474 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.457 -0.516 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.347 0.667 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.799 -0.802 -1.590 1.00 0.00 H new ATOM 1219 N VAL A 78 -10.809 2.356 2.364 1.00 0.00 N ATOM 1220 CA VAL A 78 -10.789 3.323 3.498 1.00 0.00 C ATOM 1221 C VAL A 78 -10.856 2.573 4.828 1.00 0.00 C ATOM 1222 O VAL A 78 -10.057 2.800 5.713 1.00 0.00 O ATOM 1223 CB VAL A 78 -11.983 4.271 3.384 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -11.957 5.264 4.549 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -11.902 5.035 2.061 1.00 0.00 C ATOM 0 H VAL A 78 -11.729 2.172 1.963 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.863 3.897 3.460 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.909 3.697 3.416 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.808 5.941 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.013 4.720 5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.032 5.839 4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.753 5.711 1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.977 5.610 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.919 4.328 1.231 1.00 0.00 H new ATOM 1235 N ASP A 79 -11.797 1.682 4.982 1.00 0.00 N ATOM 1236 CA ASP A 79 -11.900 0.926 6.261 1.00 0.00 C ATOM 1237 C ASP A 79 -10.870 -0.200 6.254 1.00 0.00 C ATOM 1238 O ASP A 79 -10.565 -0.791 7.274 1.00 0.00 O ATOM 1239 CB ASP A 79 -13.304 0.333 6.390 1.00 0.00 C ATOM 1240 CG ASP A 79 -14.128 1.175 7.364 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -13.782 1.200 8.534 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -15.092 1.780 6.925 1.00 0.00 O ATOM 0 H ASP A 79 -12.497 1.446 4.279 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.712 1.593 7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.790 0.307 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.244 -0.696 6.744 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.323 -0.493 5.108 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.307 -1.572 5.018 1.00 0.00 C ATOM 1249 C LEU A 80 -7.957 -0.972 5.379 1.00 0.00 C ATOM 1250 O LEU A 80 -7.144 -1.583 6.041 1.00 0.00 O ATOM 1251 CB LEU A 80 -9.275 -2.126 3.590 1.00 0.00 C ATOM 1252 CG LEU A 80 -10.318 -3.239 3.448 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -10.009 -4.355 4.447 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -11.716 -2.678 3.728 1.00 0.00 C ATOM 0 H LEU A 80 -10.539 -0.028 4.226 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.548 -2.388 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.479 -1.329 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.282 -2.513 3.361 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.286 -3.636 2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.750 -5.148 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.017 -4.759 4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.040 -3.955 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.454 -3.473 3.626 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.751 -2.278 4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.938 -1.883 3.016 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.729 0.240 4.966 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.451 0.914 5.301 1.00 0.00 C ATOM 1268 C ILE A 81 -6.548 1.416 6.745 1.00 0.00 C ATOM 1269 O ILE A 81 -5.558 1.568 7.433 1.00 0.00 O ATOM 1270 CB ILE A 81 -6.236 2.086 4.331 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -5.550 1.579 3.055 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -5.357 3.158 4.979 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -6.181 0.255 2.614 1.00 0.00 C ATOM 0 H ILE A 81 -8.378 0.795 4.408 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.607 0.230 5.209 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.206 2.518 4.085 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.646 2.320 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.484 1.441 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.213 3.982 4.280 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.842 3.529 5.882 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.389 2.728 5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.689 -0.099 1.708 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.062 -0.486 3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.242 0.406 2.415 1.00 0.00 H new ATOM 1285 N SER A 82 -7.746 1.664 7.209 1.00 0.00 N ATOM 1286 CA SER A 82 -7.926 2.148 8.607 1.00 0.00 C ATOM 1287 C SER A 82 -7.550 1.031 9.581 1.00 0.00 C ATOM 1288 O SER A 82 -6.660 1.182 10.395 1.00 0.00 O ATOM 1289 CB SER A 82 -9.385 2.546 8.829 1.00 0.00 C ATOM 1290 OG SER A 82 -9.432 3.818 9.464 1.00 0.00 O ATOM 0 H SER A 82 -8.609 1.551 6.677 1.00 0.00 H new ATOM 0 HA SER A 82 -7.286 3.014 8.777 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.913 2.582 7.876 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.888 1.800 9.444 1.00 0.00 H new ATOM 0 HG SER A 82 -10.366 4.078 9.607 1.00 0.00 H new ATOM 1296 N TYR A 83 -8.213 -0.092 9.507 1.00 0.00 N ATOM 1297 CA TYR A 83 -7.873 -1.207 10.436 1.00 0.00 C ATOM 1298 C TYR A 83 -6.492 -1.751 10.058 1.00 0.00 C ATOM 1299 O TYR A 83 -5.832 -2.414 10.835 1.00 0.00 O ATOM 1300 CB TYR A 83 -8.947 -2.308 10.343 1.00 0.00 C ATOM 1301 CG TYR A 83 -8.578 -3.340 9.298 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -8.421 -2.961 7.960 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -8.394 -4.677 9.673 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -8.080 -3.918 6.997 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -8.054 -5.634 8.710 1.00 0.00 C ATOM 1306 CZ TYR A 83 -7.896 -5.256 7.372 1.00 0.00 C ATOM 1307 OH TYR A 83 -7.560 -6.200 6.423 1.00 0.00 O ATOM 0 H TYR A 83 -8.969 -0.284 8.849 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.847 -0.851 11.466 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.061 -2.792 11.313 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.910 -1.862 10.094 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.563 -1.930 7.670 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -8.515 -4.969 10.706 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.959 -3.625 5.965 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.913 -6.665 9.000 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.469 -7.077 6.851 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.050 -1.460 8.864 1.00 0.00 N ATOM 1318 CA TYR A 84 -4.714 -1.938 8.419 1.00 0.00 C ATOM 1319 C TYR A 84 -3.635 -1.094 9.100 1.00 0.00 C ATOM 1320 O TYR A 84 -2.513 -1.522 9.276 1.00 0.00 O ATOM 1321 CB TYR A 84 -4.612 -1.787 6.900 1.00 0.00 C ATOM 1322 CG TYR A 84 -3.177 -1.943 6.461 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -2.372 -2.931 7.035 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -2.653 -1.098 5.475 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -1.043 -3.076 6.625 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -1.324 -1.243 5.064 1.00 0.00 C ATOM 1327 CZ TYR A 84 -0.518 -2.232 5.638 1.00 0.00 C ATOM 1328 OH TYR A 84 0.793 -2.374 5.234 1.00 0.00 O ATOM 0 H TYR A 84 -6.562 -0.908 8.176 1.00 0.00 H new ATOM 0 HA TYR A 84 -4.578 -2.986 8.687 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -5.234 -2.535 6.409 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.989 -0.810 6.597 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -2.777 -3.583 7.795 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -3.275 -0.334 5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.421 -3.839 7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.920 -0.591 4.303 1.00 0.00 H new ATOM 0 HH TYR A 84 1.135 -3.243 5.532 1.00 0.00 H new ATOM 1338 N GLU A 85 -3.968 0.103 9.495 1.00 0.00 N ATOM 1339 CA GLU A 85 -2.961 0.966 10.171 1.00 0.00 C ATOM 1340 C GLU A 85 -2.552 0.321 11.498 1.00 0.00 C ATOM 1341 O GLU A 85 -1.600 0.732 12.131 1.00 0.00 O ATOM 1342 CB GLU A 85 -3.569 2.344 10.440 1.00 0.00 C ATOM 1343 CG GLU A 85 -3.367 3.240 9.216 1.00 0.00 C ATOM 1344 CD GLU A 85 -2.694 4.544 9.644 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -2.834 4.910 10.800 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -2.049 5.156 8.808 1.00 0.00 O ATOM 0 H GLU A 85 -4.892 0.520 9.379 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.085 1.075 9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.632 2.247 10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.101 2.795 11.315 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.753 2.728 8.475 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.327 3.451 8.744 1.00 0.00 H new ATOM 1353 N LYS A 86 -3.262 -0.690 11.921 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.913 -1.363 13.204 1.00 0.00 C ATOM 1355 C LYS A 86 -2.436 -2.792 12.921 1.00 0.00 C ATOM 1356 O LYS A 86 -1.601 -3.325 13.623 1.00 0.00 O ATOM 1357 CB LYS A 86 -4.145 -1.406 14.109 1.00 0.00 C ATOM 1358 CG LYS A 86 -4.834 -0.041 14.101 1.00 0.00 C ATOM 1359 CD LYS A 86 -4.085 0.916 15.031 1.00 0.00 C ATOM 1360 CE LYS A 86 -4.907 1.146 16.301 1.00 0.00 C ATOM 1361 NZ LYS A 86 -6.165 1.866 15.957 1.00 0.00 N ATOM 0 H LYS A 86 -4.069 -1.079 11.433 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.117 -0.807 13.700 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.836 -2.175 13.764 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.853 -1.672 15.125 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.855 0.361 13.088 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.870 -0.143 14.425 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.110 0.502 15.287 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.905 1.865 14.525 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.140 0.192 16.774 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.329 1.726 17.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.461 2.453 16.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.002 2.473 15.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.912 1.176 15.739 1.00 0.00 H new ATOM 1375 N HIS A 87 -2.960 -3.417 11.900 1.00 0.00 N ATOM 1376 CA HIS A 87 -2.535 -4.811 11.582 1.00 0.00 C ATOM 1377 C HIS A 87 -1.643 -4.807 10.337 1.00 0.00 C ATOM 1378 O HIS A 87 -1.592 -3.835 9.614 1.00 0.00 O ATOM 1379 CB HIS A 87 -3.771 -5.673 11.316 1.00 0.00 C ATOM 1380 CG HIS A 87 -3.995 -6.602 12.478 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -5.088 -7.451 12.543 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -3.277 -6.827 13.626 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -4.998 -8.141 13.694 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -3.912 -7.800 14.393 1.00 0.00 N ATOM 0 H HIS A 87 -3.662 -3.023 11.274 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.978 -5.219 12.426 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -4.645 -5.039 11.170 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -3.637 -6.247 10.399 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -2.359 -6.325 13.894 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.717 -8.881 14.014 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -3.613 -8.172 15.294 1.00 0.00 H new ATOM 1392 N PRO A 88 -0.967 -5.904 10.134 1.00 0.00 N ATOM 1393 CA PRO A 88 -0.041 -6.132 8.993 1.00 0.00 C ATOM 1394 C PRO A 88 -0.827 -6.517 7.735 1.00 0.00 C ATOM 1395 O PRO A 88 -1.785 -7.262 7.796 1.00 0.00 O ATOM 1396 CB PRO A 88 0.859 -7.287 9.426 1.00 0.00 C ATOM 1397 CG PRO A 88 0.080 -8.056 10.498 1.00 0.00 C ATOM 1398 CD PRO A 88 -1.010 -7.106 11.014 1.00 0.00 C ATOM 0 HA PRO A 88 0.532 -5.236 8.752 1.00 0.00 H new ATOM 0 HB2 PRO A 88 1.098 -7.932 8.581 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.804 -6.917 9.822 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.361 -8.962 10.082 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.739 -8.366 11.309 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.990 -7.581 10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.828 -6.834 12.054 1.00 0.00 H new ATOM 1406 N LEU A 89 -0.421 -6.026 6.594 1.00 0.00 N ATOM 1407 CA LEU A 89 -1.138 -6.380 5.336 1.00 0.00 C ATOM 1408 C LEU A 89 -0.573 -7.700 4.814 1.00 0.00 C ATOM 1409 O LEU A 89 -1.213 -8.730 4.890 1.00 0.00 O ATOM 1410 CB LEU A 89 -0.927 -5.278 4.292 1.00 0.00 C ATOM 1411 CG LEU A 89 -2.269 -4.910 3.654 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -3.270 -4.523 4.743 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -2.070 -3.728 2.702 1.00 0.00 C ATOM 0 H LEU A 89 0.374 -5.397 6.480 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.206 -6.480 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.483 -4.400 4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.230 -5.618 3.526 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.653 -5.767 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.224 -4.262 4.284 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.412 -5.364 5.422 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.889 -3.667 5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.024 -3.463 2.246 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.684 -2.874 3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.360 -4.004 1.923 1.00 0.00 H new ATOM 1425 N TYR A 90 0.634 -7.688 4.314 1.00 0.00 N ATOM 1426 CA TYR A 90 1.235 -8.961 3.827 1.00 0.00 C ATOM 1427 C TYR A 90 1.981 -9.607 4.993 1.00 0.00 C ATOM 1428 O TYR A 90 1.944 -9.120 6.105 1.00 0.00 O ATOM 1429 CB TYR A 90 2.217 -8.716 2.665 1.00 0.00 C ATOM 1430 CG TYR A 90 2.205 -7.266 2.245 1.00 0.00 C ATOM 1431 CD1 TYR A 90 1.159 -6.767 1.459 1.00 0.00 C ATOM 1432 CD2 TYR A 90 3.247 -6.422 2.639 1.00 0.00 C ATOM 1433 CE1 TYR A 90 1.151 -5.421 1.076 1.00 0.00 C ATOM 1434 CE2 TYR A 90 3.243 -5.078 2.254 1.00 0.00 C ATOM 1435 CZ TYR A 90 2.194 -4.575 1.474 1.00 0.00 C ATOM 1436 OH TYR A 90 2.187 -3.248 1.095 1.00 0.00 O ATOM 0 H TYR A 90 1.224 -6.861 4.223 1.00 0.00 H new ATOM 0 HA TYR A 90 0.441 -9.610 3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.224 -9.002 2.968 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.948 -9.346 1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.358 -7.421 1.148 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.056 -6.808 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.342 -5.035 0.474 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.049 -4.427 2.558 1.00 0.00 H new ATOM 0 HH TYR A 90 3.105 -2.906 1.084 1.00 0.00 H new ATOM 1446 N ARG A 91 2.655 -10.694 4.759 1.00 0.00 N ATOM 1447 CA ARG A 91 3.392 -11.353 5.871 1.00 0.00 C ATOM 1448 C ARG A 91 4.816 -10.795 5.945 1.00 0.00 C ATOM 1449 O ARG A 91 5.781 -11.525 5.832 1.00 0.00 O ATOM 1450 CB ARG A 91 3.446 -12.860 5.619 1.00 0.00 C ATOM 1451 CG ARG A 91 2.023 -13.417 5.561 1.00 0.00 C ATOM 1452 CD ARG A 91 2.028 -14.877 6.013 1.00 0.00 C ATOM 1453 NE ARG A 91 2.326 -15.756 4.847 1.00 0.00 N ATOM 1454 CZ ARG A 91 2.690 -16.994 5.039 1.00 0.00 C ATOM 1455 NH1 ARG A 91 3.501 -17.293 6.017 1.00 0.00 N ATOM 1456 NH2 ARG A 91 2.246 -17.934 4.249 1.00 0.00 N ATOM 0 H ARG A 91 2.728 -11.154 3.852 1.00 0.00 H new ATOM 0 HA ARG A 91 2.879 -11.158 6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.967 -13.065 4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.009 -13.352 6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.365 -12.829 6.201 1.00 0.00 H new ATOM 0 HG3 ARG A 91 1.632 -13.341 4.546 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.774 -15.025 6.794 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.061 -15.139 6.442 1.00 0.00 H new ATOM 0 HE ARG A 91 2.245 -15.390 3.899 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.851 -16.558 6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.785 -18.261 6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.615 -17.700 3.482 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.530 -18.902 4.398 1.00 0.00 H new ATOM 1470 N LYS A 92 4.962 -9.509 6.134 1.00 0.00 N ATOM 1471 CA LYS A 92 6.334 -8.929 6.212 1.00 0.00 C ATOM 1472 C LYS A 92 6.266 -7.405 6.367 1.00 0.00 C ATOM 1473 O LYS A 92 6.983 -6.677 5.708 1.00 0.00 O ATOM 1474 CB LYS A 92 7.098 -9.272 4.931 1.00 0.00 C ATOM 1475 CG LYS A 92 6.136 -9.250 3.741 1.00 0.00 C ATOM 1476 CD LYS A 92 6.751 -8.436 2.602 1.00 0.00 C ATOM 1477 CE LYS A 92 7.730 -9.313 1.819 1.00 0.00 C ATOM 1478 NZ LYS A 92 7.053 -9.859 0.609 1.00 0.00 N ATOM 0 H LYS A 92 4.198 -8.841 6.237 1.00 0.00 H new ATOM 0 HA LYS A 92 6.845 -9.348 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.905 -8.556 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.558 -10.256 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.932 -10.267 3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 92 5.182 -8.815 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 92 5.967 -8.067 1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.268 -7.563 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.604 -8.730 1.528 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.087 -10.129 2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.608 -10.653 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 6.102 -10.192 0.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.977 -9.114 -0.112 1.00 0.00 H new ATOM 1492 N MET A 93 5.427 -6.912 7.239 1.00 0.00 N ATOM 1493 CA MET A 93 5.341 -5.432 7.433 1.00 0.00 C ATOM 1494 C MET A 93 4.274 -5.112 8.486 1.00 0.00 C ATOM 1495 O MET A 93 3.512 -5.965 8.893 1.00 0.00 O ATOM 1496 CB MET A 93 5.018 -4.751 6.082 1.00 0.00 C ATOM 1497 CG MET A 93 3.548 -4.306 6.006 1.00 0.00 C ATOM 1498 SD MET A 93 3.329 -3.195 4.595 1.00 0.00 S ATOM 1499 CE MET A 93 4.349 -1.834 5.215 1.00 0.00 C ATOM 0 H MET A 93 4.800 -7.465 7.823 1.00 0.00 H new ATOM 0 HA MET A 93 6.297 -5.048 7.789 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.667 -3.886 5.946 1.00 0.00 H new ATOM 0 HB3 MET A 93 5.232 -5.442 5.266 1.00 0.00 H new ATOM 0 HG2 MET A 93 2.898 -5.175 5.903 1.00 0.00 H new ATOM 0 HG3 MET A 93 3.261 -3.801 6.928 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.908 -0.883 4.916 1.00 0.00 H new ATOM 0 HE2 MET A 93 4.400 -1.884 6.303 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.354 -1.914 4.800 1.00 0.00 H new ATOM 1509 N LYS A 94 4.212 -3.880 8.923 1.00 0.00 N ATOM 1510 CA LYS A 94 3.192 -3.498 9.939 1.00 0.00 C ATOM 1511 C LYS A 94 2.921 -2.000 9.824 1.00 0.00 C ATOM 1512 O LYS A 94 2.639 -1.331 10.798 1.00 0.00 O ATOM 1513 CB LYS A 94 3.719 -3.816 11.340 1.00 0.00 C ATOM 1514 CG LYS A 94 2.655 -4.588 12.124 1.00 0.00 C ATOM 1515 CD LYS A 94 3.333 -5.459 13.183 1.00 0.00 C ATOM 1516 CE LYS A 94 2.528 -5.402 14.484 1.00 0.00 C ATOM 1517 NZ LYS A 94 3.458 -5.261 15.638 1.00 0.00 N ATOM 0 H LYS A 94 4.825 -3.124 8.619 1.00 0.00 H new ATOM 0 HA LYS A 94 2.272 -4.057 9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.633 -4.405 11.271 1.00 0.00 H new ATOM 0 HB3 LYS A 94 3.973 -2.894 11.862 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.962 -3.893 12.599 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.069 -5.210 11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.404 -6.488 12.832 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.351 -5.111 13.358 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.834 -4.562 14.458 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.930 -6.307 14.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.911 -5.222 16.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.103 -6.076 15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.010 -4.386 15.534 1.00 0.00 H new ATOM 1531 N LEU A 95 3.021 -1.466 8.637 1.00 0.00 N ATOM 1532 CA LEU A 95 2.788 -0.009 8.450 1.00 0.00 C ATOM 1533 C LEU A 95 3.616 0.763 9.472 1.00 0.00 C ATOM 1534 O LEU A 95 3.243 1.832 9.910 1.00 0.00 O ATOM 1535 CB LEU A 95 1.303 0.320 8.639 1.00 0.00 C ATOM 1536 CG LEU A 95 0.490 -0.218 7.456 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -0.882 0.458 7.432 1.00 0.00 C ATOM 1538 CD2 LEU A 95 1.218 0.085 6.144 1.00 0.00 C ATOM 0 H LEU A 95 3.255 -1.979 7.787 1.00 0.00 H new ATOM 0 HA LEU A 95 3.084 0.275 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.941 -0.119 9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 95 1.169 1.399 8.722 1.00 0.00 H new ATOM 0 HG LEU A 95 0.371 -1.296 7.566 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.461 0.076 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.409 0.245 8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.755 1.535 7.326 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.635 -0.300 5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.340 1.163 6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.198 -0.392 6.153 1.00 0.00 H new ATOM 1550 N ARG A 96 4.745 0.231 9.846 1.00 0.00 N ATOM 1551 CA ARG A 96 5.608 0.938 10.830 1.00 0.00 C ATOM 1552 C ARG A 96 6.152 2.210 10.182 1.00 0.00 C ATOM 1553 O ARG A 96 6.723 3.060 10.836 1.00 0.00 O ATOM 1554 CB ARG A 96 6.770 0.032 11.241 1.00 0.00 C ATOM 1555 CG ARG A 96 6.417 -0.692 12.542 1.00 0.00 C ATOM 1556 CD ARG A 96 7.688 -1.272 13.165 1.00 0.00 C ATOM 1557 NE ARG A 96 7.330 -2.393 14.079 1.00 0.00 N ATOM 1558 CZ ARG A 96 8.250 -3.226 14.482 1.00 0.00 C ATOM 1559 NH1 ARG A 96 8.994 -3.849 13.608 1.00 0.00 N ATOM 1560 NH2 ARG A 96 8.426 -3.437 15.757 1.00 0.00 N ATOM 0 H ARG A 96 5.107 -0.662 9.513 1.00 0.00 H new ATOM 0 HA ARG A 96 5.027 1.193 11.716 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.976 -0.693 10.453 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.676 0.623 11.375 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.941 -0.001 13.238 1.00 0.00 H new ATOM 0 HG3 ARG A 96 5.700 -1.489 12.344 1.00 0.00 H new ATOM 0 HD2 ARG A 96 8.359 -1.627 12.383 1.00 0.00 H new ATOM 0 HD3 ARG A 96 8.222 -0.497 13.715 1.00 0.00 H new ATOM 0 HE ARG A 96 6.365 -2.509 14.390 1.00 0.00 H new ATOM 0 HH11 ARG A 96 8.856 -3.684 12.611 1.00 0.00 H new ATOM 0 HH12 ARG A 96 9.713 -4.500 13.922 1.00 0.00 H new ATOM 0 HH21 ARG A 96 7.844 -2.951 16.439 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.145 -4.088 16.072 1.00 0.00 H new ATOM 1574 N TYR A 97 5.977 2.347 8.893 1.00 0.00 N ATOM 1575 CA TYR A 97 6.482 3.567 8.198 1.00 0.00 C ATOM 1576 C TYR A 97 5.378 4.162 7.318 1.00 0.00 C ATOM 1577 O TYR A 97 5.481 4.159 6.108 1.00 0.00 O ATOM 1578 CB TYR A 97 7.683 3.192 7.328 1.00 0.00 C ATOM 1579 CG TYR A 97 8.916 3.076 8.192 1.00 0.00 C ATOM 1580 CD1 TYR A 97 9.497 4.227 8.737 1.00 0.00 C ATOM 1581 CD2 TYR A 97 9.476 1.819 8.449 1.00 0.00 C ATOM 1582 CE1 TYR A 97 10.640 4.121 9.539 1.00 0.00 C ATOM 1583 CE2 TYR A 97 10.619 1.713 9.252 1.00 0.00 C ATOM 1584 CZ TYR A 97 11.201 2.864 9.797 1.00 0.00 C ATOM 1585 OH TYR A 97 12.327 2.759 10.589 1.00 0.00 O ATOM 0 H TYR A 97 5.507 1.668 8.294 1.00 0.00 H new ATOM 0 HA TYR A 97 6.782 4.306 8.941 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.494 2.248 6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.836 3.947 6.557 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.064 5.196 8.539 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.027 0.931 8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.089 5.009 9.959 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.051 0.743 9.451 1.00 0.00 H new ATOM 0 HH TYR A 97 12.585 1.817 10.668 1.00 0.00 H new ATOM 1595 N PRO A 98 4.352 4.659 7.958 1.00 0.00 N ATOM 1596 CA PRO A 98 3.173 5.288 7.309 1.00 0.00 C ATOM 1597 C PRO A 98 3.456 6.758 6.994 1.00 0.00 C ATOM 1598 O PRO A 98 2.556 7.570 6.908 1.00 0.00 O ATOM 1599 CB PRO A 98 2.044 5.177 8.328 1.00 0.00 C ATOM 1600 CG PRO A 98 2.720 5.049 9.700 1.00 0.00 C ATOM 1601 CD PRO A 98 4.185 4.668 9.436 1.00 0.00 C ATOM 0 HA PRO A 98 2.923 4.801 6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 98 1.399 6.055 8.292 1.00 0.00 H new ATOM 0 HB3 PRO A 98 1.416 4.311 8.121 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.657 5.987 10.251 1.00 0.00 H new ATOM 0 HG3 PRO A 98 2.226 4.290 10.306 1.00 0.00 H new ATOM 0 HD2 PRO A 98 4.863 5.384 9.900 1.00 0.00 H new ATOM 0 HD3 PRO A 98 4.415 3.690 9.860 1.00 0.00 H new ATOM 1774 N ILE B 5 2.986 -8.085 -3.586 1.00 0.00 N ATOM 1775 CA ILE B 5 2.882 -9.074 -2.477 1.00 0.00 C ATOM 1776 C ILE B 5 1.439 -9.138 -1.972 1.00 0.00 C ATOM 1777 O ILE B 5 0.856 -8.146 -1.589 1.00 0.00 O ATOM 1778 CB ILE B 5 3.858 -8.688 -1.347 1.00 0.00 C ATOM 1779 CG1 ILE B 5 3.179 -7.804 -0.297 1.00 0.00 C ATOM 1780 CG2 ILE B 5 5.051 -7.936 -1.935 1.00 0.00 C ATOM 1781 CD1 ILE B 5 2.876 -6.431 -0.889 1.00 0.00 C ATOM 0 HA ILE B 5 3.155 -10.065 -2.839 1.00 0.00 H new ATOM 0 HB ILE B 5 4.189 -9.607 -0.863 1.00 0.00 H new ATOM 0 HG12 ILE B 5 2.257 -8.274 0.044 1.00 0.00 H new ATOM 0 HG13 ILE B 5 3.825 -7.699 0.575 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.740 -7.664 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE B 5 5.564 -8.574 -2.655 1.00 0.00 H new ATOM 0 HG23 ILE B 5 4.701 -7.033 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE B 5 2.393 -5.808 -0.136 1.00 0.00 H new ATOM 0 HD12 ILE B 5 3.805 -5.959 -1.208 1.00 0.00 H new ATOM 0 HD13 ILE B 5 2.213 -6.543 -1.747 1.00 0.00 H new ATOM 1793 N ILE B 6 0.854 -10.305 -1.966 1.00 0.00 N ATOM 1794 CA ILE B 6 -0.542 -10.420 -1.471 1.00 0.00 C ATOM 1795 C ILE B 6 -0.548 -10.014 -0.002 1.00 0.00 C ATOM 1796 O ILE B 6 0.357 -10.362 0.728 1.00 0.00 O ATOM 1797 CB ILE B 6 -1.025 -11.864 -1.615 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -0.965 -12.275 -3.089 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -2.466 -11.972 -1.114 1.00 0.00 C ATOM 1800 CD1 ILE B 6 -1.669 -11.218 -3.942 1.00 0.00 C ATOM 0 H ILE B 6 1.281 -11.176 -2.281 1.00 0.00 H new ATOM 0 HA ILE B 6 -1.207 -9.776 -2.046 1.00 0.00 H new ATOM 0 HB ILE B 6 -0.386 -12.522 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE B 6 0.072 -12.382 -3.406 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -1.442 -13.245 -3.227 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -2.811 -13.001 -1.216 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -2.510 -11.677 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.106 -11.315 -1.703 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -1.627 -11.510 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -2.710 -11.134 -3.631 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -1.172 -10.256 -3.813 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.547 -9.271 0.382 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.721 -8.751 1.760 1.00 0.00 C ATOM 1814 C PRO B 7 -2.261 -9.838 2.696 1.00 0.00 C ATOM 1815 O PRO B 7 -3.376 -9.763 3.173 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.713 -7.600 1.640 1.00 0.00 C ATOM 1817 CG PRO B 7 -3.507 -7.853 0.356 1.00 0.00 C ATOM 1818 CD PRO B 7 -2.671 -8.824 -0.488 1.00 0.00 C ATOM 0 HA PRO B 7 -0.772 -8.425 2.186 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -3.374 -7.564 2.506 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -2.195 -6.642 1.595 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -4.485 -8.278 0.582 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -3.681 -6.921 -0.183 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.272 -9.673 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -2.296 -8.335 -1.387 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.468 -10.835 2.979 1.00 0.00 N ATOM 1827 CA LEU B 8 -1.915 -11.913 3.901 1.00 0.00 C ATOM 1828 C LEU B 8 -1.163 -11.753 5.223 1.00 0.00 C ATOM 1829 O LEU B 8 0.010 -11.435 5.230 1.00 0.00 O ATOM 1830 CB LEU B 8 -1.597 -13.279 3.289 1.00 0.00 C ATOM 1831 CG LEU B 8 -2.879 -14.108 3.189 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -3.516 -13.898 1.815 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -2.546 -15.590 3.374 1.00 0.00 C ATOM 0 H LEU B 8 -0.525 -10.948 2.608 1.00 0.00 H new ATOM 0 HA LEU B 8 -2.990 -11.845 4.068 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.156 -13.152 2.300 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -0.861 -13.801 3.901 1.00 0.00 H new ATOM 0 HG LEU B 8 -3.576 -13.793 3.966 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -4.429 -14.488 1.743 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -3.755 -12.843 1.682 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -2.819 -14.213 1.039 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -3.460 -16.180 3.303 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -1.849 -15.906 2.598 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -2.092 -15.741 4.353 1.00 0.00 H new ATOM 1845 N PRO B 9 -1.864 -11.962 6.300 1.00 0.00 N ATOM 1846 CA PRO B 9 -1.334 -11.846 7.683 1.00 0.00 C ATOM 1847 C PRO B 9 -0.512 -13.080 8.051 1.00 0.00 C ATOM 1848 O PRO B 9 -0.832 -14.192 7.677 1.00 0.00 O ATOM 1849 CB PRO B 9 -2.562 -11.724 8.582 1.00 0.00 C ATOM 1850 CG PRO B 9 -3.726 -12.340 7.798 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.300 -12.354 6.324 1.00 0.00 C ATOM 0 HA PRO B 9 -0.671 -10.988 7.791 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -2.408 -12.247 9.526 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -2.765 -10.681 8.825 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -3.939 -13.349 8.150 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.637 -11.756 7.933 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.440 -13.343 5.888 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.902 -11.659 5.739 1.00 0.00 H new ATOM 1859 N ASP B 10 0.548 -12.886 8.786 1.00 0.00 N ATOM 1860 CA ASP B 10 1.405 -14.034 9.189 1.00 0.00 C ATOM 1861 C ASP B 10 0.532 -15.148 9.771 1.00 0.00 C ATOM 1862 O ASP B 10 -0.610 -14.922 10.122 1.00 0.00 O ATOM 1863 CB ASP B 10 2.407 -13.564 10.247 1.00 0.00 C ATOM 1864 CG ASP B 10 3.520 -12.761 9.571 1.00 0.00 C ATOM 1865 OD1 ASP B 10 4.143 -13.292 8.667 1.00 0.00 O ATOM 1866 OD2 ASP B 10 3.729 -11.626 9.969 1.00 0.00 O ATOM 0 H ASP B 10 0.858 -11.976 9.126 1.00 0.00 H new ATOM 0 HA ASP B 10 1.940 -14.415 8.319 1.00 0.00 H new ATOM 0 HB2 ASP B 10 1.903 -12.951 10.994 1.00 0.00 H new ATOM 0 HB3 ASP B 10 2.829 -14.422 10.771 1.00 0.00 H new