USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 709 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 65 ASN :FLIP amide:sc= -1.14! F(o=-2.2,f=0.097!) USER MOD Set 1.2: A 71 THR OG1 : rot -172:sc= 1.24 USER MOD Set 2.1: A 50 CYS SG : rot 180:sc= 0.454 USER MOD Set 2.2: A 59 THR OG1 : rot -76:sc= 0.471 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0947 K(o=-0.095,f=-2!) USER MOD Single : A 14 HIS : no HD1:sc= 0.288 K(o=0.29,f=-1.2) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.0956 F(o=-0.78,f=-0.096) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0.00293 (180deg=-0.0168) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc=0.000821 USER MOD Single : A 31 LYS NZ :NH3+ -153:sc= -0.122 (180deg=-0.587) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.305 K(o=-0.3,f=-2.9!) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 158:sc= 0.0296 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 151:sc= -0.0642 (180deg=-0.945) USER MOD Single : A 88 GLN : amide:sc= -0.137 K(o=-0.14,f=-1.9!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00576) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HE2:sc= -0.997 K(o=-1,f=-2.5!) USER MOD Single : A 105 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N CYS A 11 2.143 -1.073 -12.330 1.00 0.00 N ATOM 114 CA CYS A 11 3.366 -0.360 -11.976 1.00 0.00 C ATOM 115 C CYS A 11 3.406 -0.058 -10.482 1.00 0.00 C ATOM 116 O CYS A 11 4.479 0.102 -9.900 1.00 0.00 O ATOM 117 CB CYS A 11 3.472 0.939 -12.775 1.00 0.00 C ATOM 118 SG CYS A 11 3.543 0.701 -14.566 1.00 0.00 S ATOM 0 HA CYS A 11 4.214 -0.999 -12.221 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.616 1.570 -12.537 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.364 1.478 -12.455 1.00 0.00 H new ATOM 0 HG CYS A 11 3.629 1.857 -15.154 1.00 0.00 H new ATOM 124 N TRP A 12 2.231 0.021 -9.868 1.00 0.00 N ATOM 125 CA TRP A 12 2.132 0.306 -8.441 1.00 0.00 C ATOM 126 C TRP A 12 2.413 -0.944 -7.615 1.00 0.00 C ATOM 127 O TRP A 12 2.440 -0.894 -6.386 1.00 0.00 O ATOM 128 CB TRP A 12 0.743 0.853 -8.105 1.00 0.00 C ATOM 129 CG TRP A 12 -0.364 0.148 -8.828 1.00 0.00 C ATOM 130 CD1 TRP A 12 -1.138 0.652 -9.833 1.00 0.00 C ATOM 131 CD2 TRP A 12 -0.821 -1.189 -8.599 1.00 0.00 C ATOM 132 NE1 TRP A 12 -2.050 -0.291 -10.243 1.00 0.00 N ATOM 133 CE2 TRP A 12 -1.875 -1.430 -9.502 1.00 0.00 C ATOM 134 CE3 TRP A 12 -0.442 -2.208 -7.720 1.00 0.00 C ATOM 135 CZ2 TRP A 12 -2.552 -2.645 -9.549 1.00 0.00 C ATOM 136 CZ3 TRP A 12 -1.115 -3.414 -7.768 1.00 0.00 C ATOM 137 CH2 TRP A 12 -2.160 -3.625 -8.678 1.00 0.00 C ATOM 0 H TRP A 12 1.334 -0.108 -10.336 1.00 0.00 H new ATOM 0 HA TRP A 12 2.881 1.058 -8.193 1.00 0.00 H new ATOM 0 HB2 TRP A 12 0.577 0.769 -7.031 1.00 0.00 H new ATOM 0 HB3 TRP A 12 0.709 1.914 -8.350 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.047 1.646 -10.246 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.744 -0.164 -10.979 1.00 0.00 H new ATOM 0 HE3 TRP A 12 0.363 -2.055 -7.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.359 -2.809 -10.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -0.831 -4.208 -7.093 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -2.666 -4.579 -8.692 1.00 0.00 H new ATOM 148 N ASN A 13 2.623 -2.064 -8.298 1.00 0.00 N ATOM 149 CA ASN A 13 2.902 -3.328 -7.626 1.00 0.00 C ATOM 150 C ASN A 13 4.400 -3.619 -7.614 1.00 0.00 C ATOM 151 O ASN A 13 4.912 -4.334 -8.476 1.00 0.00 O ATOM 152 CB ASN A 13 2.155 -4.472 -8.315 1.00 0.00 C ATOM 153 CG ASN A 13 2.033 -5.698 -7.432 1.00 0.00 C ATOM 154 OD1 ASN A 13 3.016 -6.158 -6.850 1.00 0.00 O ATOM 155 ND2 ASN A 13 0.823 -6.234 -7.327 1.00 0.00 N ATOM 0 H ASN A 13 2.605 -2.122 -9.316 1.00 0.00 H new ATOM 0 HA ASN A 13 2.557 -3.246 -6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.159 -4.132 -8.600 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.675 -4.740 -9.234 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.680 -7.060 -6.746 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.037 -5.820 -7.827 1.00 0.00 H new ATOM 162 N HIS A 14 5.097 -3.059 -6.630 1.00 0.00 N ATOM 163 CA HIS A 14 6.536 -3.259 -6.504 1.00 0.00 C ATOM 164 C HIS A 14 6.856 -4.714 -6.176 1.00 0.00 C ATOM 165 O HIS A 14 7.585 -5.381 -6.910 1.00 0.00 O ATOM 166 CB HIS A 14 7.107 -2.342 -5.422 1.00 0.00 C ATOM 167 CG HIS A 14 7.219 -0.911 -5.847 1.00 0.00 C ATOM 168 ND1 HIS A 14 8.419 -0.233 -5.899 1.00 0.00 N ATOM 169 CD2 HIS A 14 6.272 -0.028 -6.243 1.00 0.00 C ATOM 170 CE1 HIS A 14 8.205 1.005 -6.307 1.00 0.00 C ATOM 171 NE2 HIS A 14 6.910 1.155 -6.523 1.00 0.00 N ATOM 0 H HIS A 14 4.689 -2.464 -5.909 1.00 0.00 H new ATOM 0 HA HIS A 14 6.997 -3.011 -7.460 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.474 -2.401 -4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.093 -2.705 -5.133 1.00 0.00 H new ATOM 0 HD2 HIS A 14 5.212 -0.219 -6.324 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.960 1.765 -6.441 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.458 2.011 -6.845 1.00 0.00 H new ATOM 180 N GLY A 15 6.307 -5.200 -5.067 1.00 0.00 N ATOM 181 CA GLY A 15 6.547 -6.573 -4.660 1.00 0.00 C ATOM 182 C GLY A 15 7.273 -6.666 -3.333 1.00 0.00 C ATOM 183 O GLY A 15 6.767 -6.212 -2.308 1.00 0.00 O ATOM 0 H GLY A 15 5.700 -4.668 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.595 -7.099 -4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.133 -7.079 -5.427 1.00 0.00 H new ATOM 187 N ASN A 16 8.463 -7.258 -3.352 1.00 0.00 N ATOM 188 CA ASN A 16 9.259 -7.412 -2.139 1.00 0.00 C ATOM 189 C ASN A 16 10.322 -6.322 -2.045 1.00 0.00 C ATOM 190 O ASN A 16 11.315 -6.344 -2.774 1.00 0.00 O ATOM 191 CB ASN A 16 9.922 -8.791 -2.111 1.00 0.00 C ATOM 192 CG ASN A 16 8.924 -9.916 -2.302 1.00 0.00 C ATOM 193 OD1 ASN A 16 8.444 -10.080 -3.529 1.00 0.00 O flip ATOM 194 ND2 ASN A 16 8.588 -10.630 -1.357 1.00 0.00 N flip ATOM 0 H ASN A 16 8.897 -7.639 -4.193 1.00 0.00 H new ATOM 0 HA ASN A 16 8.592 -7.320 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.679 -8.843 -2.894 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.438 -8.924 -1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 16 8.982 -10.468 -0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.915 -11.383 -1.501 1.00 0.00 H new ATOM 201 N ILE A 17 10.108 -5.370 -1.143 1.00 0.00 N ATOM 202 CA ILE A 17 11.049 -4.273 -0.952 1.00 0.00 C ATOM 203 C ILE A 17 11.215 -3.943 0.527 1.00 0.00 C ATOM 204 O ILE A 17 10.292 -4.121 1.323 1.00 0.00 O ATOM 205 CB ILE A 17 10.595 -3.007 -1.702 1.00 0.00 C ATOM 206 CG1 ILE A 17 9.244 -2.528 -1.168 1.00 0.00 C ATOM 207 CG2 ILE A 17 10.515 -3.276 -3.197 1.00 0.00 C ATOM 208 CD1 ILE A 17 8.916 -1.100 -1.546 1.00 0.00 C ATOM 0 H ILE A 17 9.291 -5.336 -0.533 1.00 0.00 H new ATOM 0 HA ILE A 17 12.006 -4.602 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 17 11.330 -2.220 -1.534 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.460 -3.184 -1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.239 -2.618 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.193 -2.371 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.496 -3.574 -3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.798 -4.076 -3.385 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.944 -0.829 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.679 -0.433 -1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.888 -1.008 -2.632 1.00 0.00 H new ATOM 220 N THR A 18 12.399 -3.459 0.890 1.00 0.00 N ATOM 221 CA THR A 18 12.687 -3.102 2.273 1.00 0.00 C ATOM 222 C THR A 18 11.833 -1.924 2.727 1.00 0.00 C ATOM 223 O THR A 18 11.298 -1.180 1.905 1.00 0.00 O ATOM 224 CB THR A 18 14.174 -2.746 2.464 1.00 0.00 C ATOM 225 OG1 THR A 18 14.343 -1.965 3.651 1.00 0.00 O ATOM 226 CG2 THR A 18 14.704 -1.976 1.264 1.00 0.00 C ATOM 0 H THR A 18 13.174 -3.305 0.245 1.00 0.00 H new ATOM 0 HA THR A 18 12.449 -3.975 2.880 1.00 0.00 H new ATOM 0 HB THR A 18 14.738 -3.674 2.558 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.291 -1.745 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.755 -1.736 1.421 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.602 -2.586 0.366 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.135 -1.054 1.143 1.00 0.00 H new ATOM 234 N ARG A 19 11.708 -1.761 4.040 1.00 0.00 N ATOM 235 CA ARG A 19 10.918 -0.673 4.603 1.00 0.00 C ATOM 236 C ARG A 19 11.515 0.681 4.234 1.00 0.00 C ATOM 237 O ARG A 19 10.791 1.627 3.923 1.00 0.00 O ATOM 238 CB ARG A 19 10.835 -0.808 6.125 1.00 0.00 C ATOM 239 CG ARG A 19 10.007 0.280 6.789 1.00 0.00 C ATOM 240 CD ARG A 19 9.833 0.017 8.277 1.00 0.00 C ATOM 241 NE ARG A 19 11.105 0.062 8.993 1.00 0.00 N ATOM 242 CZ ARG A 19 11.312 -0.534 10.162 1.00 0.00 C ATOM 243 NH1 ARG A 19 10.335 -1.217 10.743 1.00 0.00 N ATOM 244 NH2 ARG A 19 12.497 -0.447 10.752 1.00 0.00 N ATOM 0 H ARG A 19 12.144 -2.369 4.734 1.00 0.00 H new ATOM 0 HA ARG A 19 9.913 -0.734 4.184 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.408 -1.780 6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.843 -0.789 6.538 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.490 1.246 6.643 1.00 0.00 H new ATOM 0 HG3 ARG A 19 9.029 0.337 6.312 1.00 0.00 H new ATOM 0 HD2 ARG A 19 9.153 0.757 8.699 1.00 0.00 H new ATOM 0 HD3 ARG A 19 9.370 -0.959 8.421 1.00 0.00 H new ATOM 0 HE ARG A 19 11.877 0.579 8.572 1.00 0.00 H new ATOM 0 HH11 ARG A 19 9.423 -1.285 10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 19 10.496 -1.674 11.641 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.250 0.078 10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.655 -0.905 11.650 1.00 0.00 H new ATOM 258 N SER A 20 12.841 0.767 4.271 1.00 0.00 N ATOM 259 CA SER A 20 13.537 2.007 3.945 1.00 0.00 C ATOM 260 C SER A 20 13.166 2.485 2.545 1.00 0.00 C ATOM 261 O SER A 20 13.080 3.686 2.288 1.00 0.00 O ATOM 262 CB SER A 20 15.050 1.809 4.044 1.00 0.00 C ATOM 263 OG SER A 20 15.717 3.047 4.216 1.00 0.00 O ATOM 0 H SER A 20 13.455 -0.007 4.523 1.00 0.00 H new ATOM 0 HA SER A 20 13.230 2.767 4.664 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.279 1.150 4.881 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.415 1.318 3.142 1.00 0.00 H new ATOM 0 HG SER A 20 16.683 2.892 4.278 1.00 0.00 H new ATOM 269 N LYS A 21 12.946 1.536 1.641 1.00 0.00 N ATOM 270 CA LYS A 21 12.583 1.857 0.266 1.00 0.00 C ATOM 271 C LYS A 21 11.162 2.408 0.193 1.00 0.00 C ATOM 272 O LYS A 21 10.928 3.472 -0.379 1.00 0.00 O ATOM 273 CB LYS A 21 12.706 0.615 -0.619 1.00 0.00 C ATOM 274 CG LYS A 21 12.384 0.876 -2.081 1.00 0.00 C ATOM 275 CD LYS A 21 13.482 1.678 -2.760 1.00 0.00 C ATOM 276 CE LYS A 21 13.007 2.267 -4.079 1.00 0.00 C ATOM 277 NZ LYS A 21 13.852 3.415 -4.509 1.00 0.00 N ATOM 0 H LYS A 21 13.013 0.537 1.837 1.00 0.00 H new ATOM 0 HA LYS A 21 13.270 2.622 -0.096 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.721 0.224 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.037 -0.158 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.251 -0.073 -2.600 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.439 1.415 -2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.810 2.480 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.346 1.037 -2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.024 1.495 -4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.972 2.595 -3.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.539 3.746 -5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.763 4.189 -3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.846 3.113 -4.564 1.00 0.00 H new ATOM 291 N ALA A 22 10.219 1.676 0.776 1.00 0.00 N ATOM 292 CA ALA A 22 8.822 2.093 0.780 1.00 0.00 C ATOM 293 C ALA A 22 8.693 3.576 1.114 1.00 0.00 C ATOM 294 O ALA A 22 8.219 4.365 0.298 1.00 0.00 O ATOM 295 CB ALA A 22 8.024 1.256 1.769 1.00 0.00 C ATOM 0 H ALA A 22 10.397 0.791 1.252 1.00 0.00 H new ATOM 0 HA ALA A 22 8.419 1.936 -0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.983 1.578 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.081 0.205 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.436 1.384 2.770 1.00 0.00 H new ATOM 301 N GLU A 23 9.116 3.946 2.318 1.00 0.00 N ATOM 302 CA GLU A 23 9.046 5.334 2.759 1.00 0.00 C ATOM 303 C GLU A 23 9.858 6.239 1.838 1.00 0.00 C ATOM 304 O GLU A 23 9.396 7.306 1.435 1.00 0.00 O ATOM 305 CB GLU A 23 9.554 5.462 4.196 1.00 0.00 C ATOM 306 CG GLU A 23 8.691 4.735 5.214 1.00 0.00 C ATOM 307 CD GLU A 23 9.069 5.070 6.644 1.00 0.00 C ATOM 308 OE1 GLU A 23 9.226 6.270 6.952 1.00 0.00 O ATOM 309 OE2 GLU A 23 9.206 4.131 7.456 1.00 0.00 O ATOM 0 H GLU A 23 9.511 3.304 3.006 1.00 0.00 H new ATOM 0 HA GLU A 23 8.003 5.648 2.721 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.570 5.072 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.604 6.518 4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.645 4.993 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.782 3.660 5.060 1.00 0.00 H new ATOM 316 N GLU A 24 11.071 5.805 1.510 1.00 0.00 N ATOM 317 CA GLU A 24 11.948 6.577 0.638 1.00 0.00 C ATOM 318 C GLU A 24 11.182 7.114 -0.568 1.00 0.00 C ATOM 319 O GLU A 24 11.070 8.326 -0.757 1.00 0.00 O ATOM 320 CB GLU A 24 13.123 5.716 0.167 1.00 0.00 C ATOM 321 CG GLU A 24 13.974 6.380 -0.901 1.00 0.00 C ATOM 322 CD GLU A 24 14.824 5.387 -1.671 1.00 0.00 C ATOM 323 OE1 GLU A 24 15.062 4.279 -1.148 1.00 0.00 O ATOM 324 OE2 GLU A 24 15.249 5.719 -2.797 1.00 0.00 O ATOM 0 H GLU A 24 11.468 4.924 1.835 1.00 0.00 H new ATOM 0 HA GLU A 24 12.332 7.423 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.753 5.475 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.739 4.773 -0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.326 6.914 -1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.622 7.122 -0.435 1.00 0.00 H new ATOM 331 N LEU A 25 10.657 6.203 -1.380 1.00 0.00 N ATOM 332 CA LEU A 25 9.901 6.584 -2.568 1.00 0.00 C ATOM 333 C LEU A 25 8.861 7.649 -2.235 1.00 0.00 C ATOM 334 O LEU A 25 8.965 8.793 -2.678 1.00 0.00 O ATOM 335 CB LEU A 25 9.215 5.358 -3.175 1.00 0.00 C ATOM 336 CG LEU A 25 10.139 4.313 -3.800 1.00 0.00 C ATOM 337 CD1 LEU A 25 9.519 2.928 -3.708 1.00 0.00 C ATOM 338 CD2 LEU A 25 10.443 4.668 -5.249 1.00 0.00 C ATOM 0 H LEU A 25 10.741 5.196 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 25 10.600 7.000 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.626 4.874 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.516 5.699 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 25 11.076 4.306 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.191 2.198 -4.158 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.354 2.672 -2.661 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.567 2.920 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.102 3.913 -5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.514 4.704 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.931 5.642 -5.290 1.00 0.00 H new ATOM 350 N LEU A 26 7.861 7.266 -1.449 1.00 0.00 N ATOM 351 CA LEU A 26 6.803 8.189 -1.053 1.00 0.00 C ATOM 352 C LEU A 26 7.379 9.551 -0.679 1.00 0.00 C ATOM 353 O LEU A 26 7.130 10.548 -1.356 1.00 0.00 O ATOM 354 CB LEU A 26 6.014 7.616 0.126 1.00 0.00 C ATOM 355 CG LEU A 26 5.275 6.303 -0.136 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.376 5.952 1.040 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.464 6.394 -1.421 1.00 0.00 C ATOM 0 H LEU A 26 7.760 6.323 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 26 6.133 8.319 -1.903 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.702 7.463 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.286 8.361 0.447 1.00 0.00 H new ATOM 0 HG LEU A 26 6.014 5.510 -0.252 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.858 5.015 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.981 5.844 1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.644 6.746 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.945 5.451 -1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.734 7.199 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.131 6.597 -2.259 1.00 0.00 H new ATOM 369 N SER A 27 8.153 9.584 0.401 1.00 0.00 N ATOM 370 CA SER A 27 8.765 10.823 0.865 1.00 0.00 C ATOM 371 C SER A 27 9.300 11.638 -0.308 1.00 0.00 C ATOM 372 O SER A 27 8.837 12.749 -0.570 1.00 0.00 O ATOM 373 CB SER A 27 9.896 10.521 1.849 1.00 0.00 C ATOM 374 OG SER A 27 9.388 10.252 3.144 1.00 0.00 O ATOM 0 H SER A 27 8.371 8.767 0.971 1.00 0.00 H new ATOM 0 HA SER A 27 7.999 11.409 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.471 9.665 1.495 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.580 11.368 1.892 1.00 0.00 H new ATOM 0 HG SER A 27 10.131 10.060 3.754 1.00 0.00 H new ATOM 380 N ARG A 28 10.279 11.078 -1.012 1.00 0.00 N ATOM 381 CA ARG A 28 10.879 11.752 -2.157 1.00 0.00 C ATOM 382 C ARG A 28 9.829 12.539 -2.936 1.00 0.00 C ATOM 383 O ARG A 28 9.839 13.771 -2.942 1.00 0.00 O ATOM 384 CB ARG A 28 11.556 10.735 -3.077 1.00 0.00 C ATOM 385 CG ARG A 28 12.884 10.221 -2.545 1.00 0.00 C ATOM 386 CD ARG A 28 13.748 9.653 -3.660 1.00 0.00 C ATOM 387 NE ARG A 28 14.510 10.692 -4.346 1.00 0.00 N ATOM 388 CZ ARG A 28 15.442 10.439 -5.259 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.725 9.188 -5.593 1.00 0.00 N ATOM 390 NH2 ARG A 28 16.092 11.439 -5.839 1.00 0.00 N ATOM 0 H ARG A 28 10.673 10.159 -0.809 1.00 0.00 H new ATOM 0 HA ARG A 28 11.629 12.450 -1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.884 9.891 -3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.718 11.192 -4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.416 11.032 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.703 9.451 -1.795 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.434 8.914 -3.246 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.115 9.133 -4.379 1.00 0.00 H new ATOM 0 HE ARG A 28 14.317 11.666 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.227 8.416 -5.149 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.441 8.997 -6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.877 12.403 -5.584 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.807 11.244 -6.540 1.00 0.00 H new ATOM 404 N THR A 29 8.925 11.820 -3.593 1.00 0.00 N ATOM 405 CA THR A 29 7.870 12.450 -4.377 1.00 0.00 C ATOM 406 C THR A 29 7.259 13.630 -3.629 1.00 0.00 C ATOM 407 O THR A 29 7.134 14.726 -4.174 1.00 0.00 O ATOM 408 CB THR A 29 6.755 11.447 -4.728 1.00 0.00 C ATOM 409 OG1 THR A 29 7.323 10.264 -5.300 1.00 0.00 O ATOM 410 CG2 THR A 29 5.762 12.061 -5.703 1.00 0.00 C ATOM 0 H THR A 29 8.902 10.800 -3.598 1.00 0.00 H new ATOM 0 HA THR A 29 8.331 12.806 -5.298 1.00 0.00 H new ATOM 0 HB THR A 29 6.227 11.189 -3.810 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.608 9.631 -5.519 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.984 11.334 -5.936 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.310 12.945 -5.253 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.280 12.345 -6.619 1.00 0.00 H new ATOM 418 N GLY A 30 6.881 13.398 -2.375 1.00 0.00 N ATOM 419 CA GLY A 30 6.288 14.452 -1.573 1.00 0.00 C ATOM 420 C GLY A 30 5.139 15.143 -2.280 1.00 0.00 C ATOM 421 O GLY A 30 5.324 16.185 -2.909 1.00 0.00 O ATOM 0 H GLY A 30 6.975 12.500 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.932 14.032 -0.633 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.052 15.188 -1.324 1.00 0.00 H new ATOM 425 N LYS A 31 3.949 14.561 -2.180 1.00 0.00 N ATOM 426 CA LYS A 31 2.765 15.127 -2.815 1.00 0.00 C ATOM 427 C LYS A 31 1.509 14.800 -2.013 1.00 0.00 C ATOM 428 O LYS A 31 1.578 14.146 -0.972 1.00 0.00 O ATOM 429 CB LYS A 31 2.624 14.596 -4.243 1.00 0.00 C ATOM 430 CG LYS A 31 3.557 15.266 -5.236 1.00 0.00 C ATOM 431 CD LYS A 31 3.478 14.612 -6.605 1.00 0.00 C ATOM 432 CE LYS A 31 3.888 15.576 -7.708 1.00 0.00 C ATOM 433 NZ LYS A 31 2.940 16.719 -7.826 1.00 0.00 N ATOM 0 H LYS A 31 3.779 13.697 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 31 2.883 16.210 -2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.817 13.523 -4.243 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.595 14.735 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.301 16.322 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.581 15.215 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.125 13.735 -6.628 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.461 14.263 -6.785 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.890 15.955 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.934 15.043 -8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.953 17.081 -8.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.979 16.399 -7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.225 17.475 -7.172 1.00 0.00 H new ATOM 447 N ASP A 32 0.363 15.256 -2.506 1.00 0.00 N ATOM 448 CA ASP A 32 -0.909 15.010 -1.837 1.00 0.00 C ATOM 449 C ASP A 32 -1.754 14.013 -2.625 1.00 0.00 C ATOM 450 O ASP A 32 -2.875 14.317 -3.029 1.00 0.00 O ATOM 451 CB ASP A 32 -1.679 16.319 -1.658 1.00 0.00 C ATOM 452 CG ASP A 32 -2.660 16.262 -0.504 1.00 0.00 C ATOM 453 OD1 ASP A 32 -3.593 15.433 -0.559 1.00 0.00 O ATOM 454 OD2 ASP A 32 -2.495 17.044 0.454 1.00 0.00 O ATOM 0 H ASP A 32 0.289 15.798 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.698 14.585 -0.856 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.973 17.132 -1.491 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.217 16.549 -2.577 1.00 0.00 H new ATOM 459 N GLY A 33 -1.206 12.821 -2.840 1.00 0.00 N ATOM 460 CA GLY A 33 -1.922 11.798 -3.580 1.00 0.00 C ATOM 461 C GLY A 33 -1.004 10.712 -4.105 1.00 0.00 C ATOM 462 O GLY A 33 -1.153 10.259 -5.240 1.00 0.00 O ATOM 0 H GLY A 33 -0.279 12.545 -2.515 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.678 11.350 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.448 12.260 -4.415 1.00 0.00 H new ATOM 466 N SER A 34 -0.050 10.295 -3.279 1.00 0.00 N ATOM 467 CA SER A 34 0.900 9.260 -3.668 1.00 0.00 C ATOM 468 C SER A 34 0.635 7.965 -2.906 1.00 0.00 C ATOM 469 O SER A 34 0.178 7.986 -1.763 1.00 0.00 O ATOM 470 CB SER A 34 2.333 9.731 -3.413 1.00 0.00 C ATOM 471 OG SER A 34 2.713 10.734 -4.339 1.00 0.00 O ATOM 0 H SER A 34 0.085 10.658 -2.336 1.00 0.00 H new ATOM 0 HA SER A 34 0.773 9.067 -4.733 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.416 10.119 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.016 8.885 -3.488 1.00 0.00 H new ATOM 0 HG SER A 34 3.632 11.019 -4.154 1.00 0.00 H new ATOM 477 N PHE A 35 0.925 6.838 -3.548 1.00 0.00 N ATOM 478 CA PHE A 35 0.718 5.532 -2.932 1.00 0.00 C ATOM 479 C PHE A 35 1.534 4.459 -3.646 1.00 0.00 C ATOM 480 O PHE A 35 2.154 4.717 -4.679 1.00 0.00 O ATOM 481 CB PHE A 35 -0.767 5.162 -2.960 1.00 0.00 C ATOM 482 CG PHE A 35 -1.310 4.964 -4.346 1.00 0.00 C ATOM 483 CD1 PHE A 35 -1.377 6.024 -5.236 1.00 0.00 C ATOM 484 CD2 PHE A 35 -1.753 3.718 -4.759 1.00 0.00 C ATOM 485 CE1 PHE A 35 -1.876 5.846 -6.512 1.00 0.00 C ATOM 486 CE2 PHE A 35 -2.253 3.534 -6.034 1.00 0.00 C ATOM 487 CZ PHE A 35 -2.316 4.599 -6.912 1.00 0.00 C ATOM 0 H PHE A 35 1.304 6.803 -4.494 1.00 0.00 H new ATOM 0 HA PHE A 35 1.052 5.589 -1.896 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.916 4.247 -2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.338 5.947 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.035 7.001 -4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.707 2.882 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.922 6.681 -7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.595 2.558 -6.344 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.708 4.457 -7.908 1.00 0.00 H new ATOM 497 N LEU A 36 1.531 3.253 -3.088 1.00 0.00 N ATOM 498 CA LEU A 36 2.272 2.139 -3.669 1.00 0.00 C ATOM 499 C LEU A 36 1.929 0.831 -2.963 1.00 0.00 C ATOM 500 O LEU A 36 1.309 0.830 -1.900 1.00 0.00 O ATOM 501 CB LEU A 36 3.776 2.400 -3.582 1.00 0.00 C ATOM 502 CG LEU A 36 4.376 2.405 -2.175 1.00 0.00 C ATOM 503 CD1 LEU A 36 4.446 0.991 -1.620 1.00 0.00 C ATOM 504 CD2 LEU A 36 5.757 3.044 -2.187 1.00 0.00 C ATOM 0 H LEU A 36 1.024 3.022 -2.234 1.00 0.00 H new ATOM 0 HA LEU A 36 1.986 2.051 -4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.291 1.642 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.985 3.363 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 36 3.729 2.996 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.875 1.014 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.443 0.568 -1.575 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.070 0.376 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.169 3.039 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.413 2.480 -2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.679 4.072 -2.542 1.00 0.00 H new ATOM 516 N VAL A 37 2.340 -0.283 -3.562 1.00 0.00 N ATOM 517 CA VAL A 37 2.080 -1.599 -2.989 1.00 0.00 C ATOM 518 C VAL A 37 3.380 -2.352 -2.731 1.00 0.00 C ATOM 519 O VAL A 37 4.309 -2.302 -3.537 1.00 0.00 O ATOM 520 CB VAL A 37 1.183 -2.445 -3.912 1.00 0.00 C ATOM 521 CG1 VAL A 37 0.769 -3.734 -3.219 1.00 0.00 C ATOM 522 CG2 VAL A 37 -0.037 -1.647 -4.346 1.00 0.00 C ATOM 0 H VAL A 37 2.854 -0.300 -4.443 1.00 0.00 H new ATOM 0 HA VAL A 37 1.564 -1.437 -2.043 1.00 0.00 H new ATOM 0 HB VAL A 37 1.753 -2.707 -4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.136 -4.319 -3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.658 -4.311 -2.964 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.217 -3.497 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.660 -2.260 -4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.611 -1.353 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.284 -0.755 -4.885 1.00 0.00 H new ATOM 532 N ARG A 38 3.438 -3.051 -1.602 1.00 0.00 N ATOM 533 CA ARG A 38 4.625 -3.816 -1.237 1.00 0.00 C ATOM 534 C ARG A 38 4.239 -5.148 -0.601 1.00 0.00 C ATOM 535 O ARG A 38 3.060 -5.495 -0.530 1.00 0.00 O ATOM 536 CB ARG A 38 5.499 -3.012 -0.273 1.00 0.00 C ATOM 537 CG ARG A 38 4.856 -2.783 1.085 1.00 0.00 C ATOM 538 CD ARG A 38 5.892 -2.424 2.139 1.00 0.00 C ATOM 539 NE ARG A 38 6.606 -3.600 2.627 1.00 0.00 N ATOM 540 CZ ARG A 38 7.550 -3.552 3.561 1.00 0.00 C ATOM 541 NH1 ARG A 38 7.889 -2.391 4.106 1.00 0.00 N ATOM 542 NH2 ARG A 38 8.155 -4.666 3.953 1.00 0.00 N ATOM 0 H ARG A 38 2.677 -3.104 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 38 5.191 -4.018 -2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.446 -3.533 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.730 -2.047 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.120 -1.983 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.320 -3.681 1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.606 -1.715 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.401 -1.925 2.975 1.00 0.00 H new ATOM 0 HE ARG A 38 6.367 -4.508 2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.425 -1.533 3.808 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.614 -2.356 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.896 -5.561 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.879 -4.628 4.670 1.00 0.00 H new ATOM 556 N ALA A 39 5.241 -5.889 -0.139 1.00 0.00 N ATOM 557 CA ALA A 39 5.006 -7.182 0.492 1.00 0.00 C ATOM 558 C ALA A 39 5.017 -7.060 2.012 1.00 0.00 C ATOM 559 O ALA A 39 5.948 -6.503 2.593 1.00 0.00 O ATOM 560 CB ALA A 39 6.050 -8.190 0.034 1.00 0.00 C ATOM 0 H ALA A 39 6.223 -5.616 -0.190 1.00 0.00 H new ATOM 0 HA ALA A 39 4.020 -7.533 0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.863 -9.151 0.513 1.00 0.00 H new ATOM 0 HB2 ALA A 39 5.993 -8.307 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.043 -7.835 0.309 1.00 0.00 H new ATOM 566 N SER A 40 3.975 -7.584 2.650 1.00 0.00 N ATOM 567 CA SER A 40 3.863 -7.530 4.103 1.00 0.00 C ATOM 568 C SER A 40 4.807 -8.533 4.759 1.00 0.00 C ATOM 569 O SER A 40 5.070 -8.460 5.959 1.00 0.00 O ATOM 570 CB SER A 40 2.422 -7.810 4.535 1.00 0.00 C ATOM 571 OG SER A 40 2.163 -7.278 5.823 1.00 0.00 O ATOM 0 H SER A 40 3.197 -8.050 2.184 1.00 0.00 H new ATOM 0 HA SER A 40 4.144 -6.528 4.427 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.731 -7.375 3.813 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.243 -8.885 4.539 1.00 0.00 H new ATOM 0 HG SER A 40 1.235 -7.469 6.075 1.00 0.00 H new ATOM 657 N ALA A 46 -0.795 -12.111 1.317 1.00 0.00 N ATOM 658 CA ALA A 46 -0.847 -10.844 2.035 1.00 0.00 C ATOM 659 C ALA A 46 -0.055 -9.765 1.303 1.00 0.00 C ATOM 660 O ALA A 46 0.924 -10.058 0.616 1.00 0.00 O ATOM 661 CB ALA A 46 -0.319 -11.018 3.452 1.00 0.00 C ATOM 0 HA ALA A 46 -1.888 -10.525 2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.364 -10.064 3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.929 -11.751 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.714 -11.364 3.415 1.00 0.00 H new ATOM 667 N TYR A 47 -0.486 -8.518 1.453 1.00 0.00 N ATOM 668 CA TYR A 47 0.180 -7.396 0.803 1.00 0.00 C ATOM 669 C TYR A 47 0.058 -6.128 1.643 1.00 0.00 C ATOM 670 O TYR A 47 -0.508 -6.147 2.735 1.00 0.00 O ATOM 671 CB TYR A 47 -0.413 -7.159 -0.587 1.00 0.00 C ATOM 672 CG TYR A 47 0.181 -8.044 -1.659 1.00 0.00 C ATOM 673 CD1 TYR A 47 1.401 -7.733 -2.247 1.00 0.00 C ATOM 674 CD2 TYR A 47 -0.476 -9.193 -2.081 1.00 0.00 C ATOM 675 CE1 TYR A 47 1.947 -8.539 -3.227 1.00 0.00 C ATOM 676 CE2 TYR A 47 0.064 -10.006 -3.060 1.00 0.00 C ATOM 677 CZ TYR A 47 1.275 -9.674 -3.630 1.00 0.00 C ATOM 678 OH TYR A 47 1.817 -10.481 -4.604 1.00 0.00 O ATOM 0 H TYR A 47 -1.294 -8.258 2.019 1.00 0.00 H new ATOM 0 HA TYR A 47 1.237 -7.643 0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.490 -7.325 -0.546 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.262 -6.116 -0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 47 1.931 -6.846 -1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.425 -9.456 -1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.895 -8.282 -3.675 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.460 -10.896 -3.377 1.00 0.00 H new ATOM 0 HH TYR A 47 1.219 -11.239 -4.771 1.00 0.00 H new ATOM 688 N ALA A 48 0.594 -5.028 1.124 1.00 0.00 N ATOM 689 CA ALA A 48 0.544 -3.751 1.824 1.00 0.00 C ATOM 690 C ALA A 48 0.405 -2.592 0.843 1.00 0.00 C ATOM 691 O ALA A 48 1.060 -2.566 -0.200 1.00 0.00 O ATOM 692 CB ALA A 48 1.786 -3.570 2.684 1.00 0.00 C ATOM 0 H ALA A 48 1.068 -4.996 0.221 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.334 -3.754 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.734 -2.612 3.201 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.841 -4.375 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.673 -3.594 2.051 1.00 0.00 H new ATOM 698 N LEU A 49 -0.452 -1.636 1.181 1.00 0.00 N ATOM 699 CA LEU A 49 -0.678 -0.473 0.329 1.00 0.00 C ATOM 700 C LEU A 49 -0.365 0.819 1.076 1.00 0.00 C ATOM 701 O LEU A 49 -1.152 1.275 1.906 1.00 0.00 O ATOM 702 CB LEU A 49 -2.126 -0.452 -0.165 1.00 0.00 C ATOM 703 CG LEU A 49 -2.632 0.887 -0.702 1.00 0.00 C ATOM 704 CD1 LEU A 49 -1.953 1.226 -2.019 1.00 0.00 C ATOM 705 CD2 LEU A 49 -4.144 0.856 -0.872 1.00 0.00 C ATOM 0 H LEU A 49 -1.003 -1.643 2.040 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.009 -0.546 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.232 -1.199 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.774 -0.760 0.656 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.383 1.664 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.326 2.182 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.876 1.291 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.169 0.448 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.487 1.817 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.415 0.068 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.615 0.661 0.092 1.00 0.00 H new ATOM 717 N CYS A 50 0.788 1.405 0.774 1.00 0.00 N ATOM 718 CA CYS A 50 1.206 2.647 1.416 1.00 0.00 C ATOM 719 C CYS A 50 0.584 3.854 0.722 1.00 0.00 C ATOM 720 O CYS A 50 0.571 3.938 -0.507 1.00 0.00 O ATOM 721 CB CYS A 50 2.731 2.765 1.403 1.00 0.00 C ATOM 722 SG CYS A 50 3.561 1.732 2.633 1.00 0.00 S ATOM 0 H CYS A 50 1.450 1.041 0.089 1.00 0.00 H new ATOM 0 HA CYS A 50 0.860 2.627 2.449 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.097 2.497 0.412 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.006 3.806 1.573 1.00 0.00 H new ATOM 0 HG CYS A 50 4.847 1.899 2.543 1.00 0.00 H new ATOM 728 N VAL A 51 0.068 4.787 1.516 1.00 0.00 N ATOM 729 CA VAL A 51 -0.556 5.989 0.977 1.00 0.00 C ATOM 730 C VAL A 51 -0.087 7.233 1.723 1.00 0.00 C ATOM 731 O VAL A 51 -0.576 7.540 2.811 1.00 0.00 O ATOM 732 CB VAL A 51 -2.092 5.907 1.054 1.00 0.00 C ATOM 733 CG1 VAL A 51 -2.722 7.207 0.576 1.00 0.00 C ATOM 734 CG2 VAL A 51 -2.604 4.727 0.241 1.00 0.00 C ATOM 0 H VAL A 51 0.070 4.733 2.535 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.255 6.060 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.378 5.754 2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.807 7.130 0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.380 8.029 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.430 7.394 -0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.691 4.684 0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.308 4.847 -0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.180 3.803 0.634 1.00 0.00 H new ATOM 744 N LEU A 52 0.864 7.947 1.132 1.00 0.00 N ATOM 745 CA LEU A 52 1.401 9.160 1.740 1.00 0.00 C ATOM 746 C LEU A 52 0.325 10.235 1.850 1.00 0.00 C ATOM 747 O LEU A 52 -0.511 10.385 0.959 1.00 0.00 O ATOM 748 CB LEU A 52 2.581 9.685 0.921 1.00 0.00 C ATOM 749 CG LEU A 52 3.374 10.833 1.547 1.00 0.00 C ATOM 750 CD1 LEU A 52 4.257 10.320 2.673 1.00 0.00 C ATOM 751 CD2 LEU A 52 4.210 11.542 0.491 1.00 0.00 C ATOM 0 H LEU A 52 1.280 7.707 0.232 1.00 0.00 H new ATOM 0 HA LEU A 52 1.746 8.912 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.265 8.857 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.207 10.014 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 52 2.668 11.551 1.965 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.814 11.151 3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.636 9.859 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.955 9.581 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.768 12.356 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.907 10.834 0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.555 11.945 -0.282 1.00 0.00 H new ATOM 763 N TYR A 53 0.353 10.982 2.948 1.00 0.00 N ATOM 764 CA TYR A 53 -0.620 12.044 3.176 1.00 0.00 C ATOM 765 C TYR A 53 -0.285 12.828 4.441 1.00 0.00 C ATOM 766 O TYR A 53 -0.015 12.247 5.492 1.00 0.00 O ATOM 767 CB TYR A 53 -2.029 11.459 3.284 1.00 0.00 C ATOM 768 CG TYR A 53 -3.124 12.498 3.206 1.00 0.00 C ATOM 769 CD1 TYR A 53 -3.676 12.864 1.984 1.00 0.00 C ATOM 770 CD2 TYR A 53 -3.606 13.116 4.353 1.00 0.00 C ATOM 771 CE1 TYR A 53 -4.676 13.814 1.908 1.00 0.00 C ATOM 772 CE2 TYR A 53 -4.607 14.065 4.286 1.00 0.00 C ATOM 773 CZ TYR A 53 -5.139 14.411 3.061 1.00 0.00 C ATOM 774 OH TYR A 53 -6.135 15.358 2.991 1.00 0.00 O ATOM 0 H TYR A 53 1.039 10.872 3.695 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.581 12.726 2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.173 10.731 2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.118 10.920 4.227 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.317 12.398 1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.191 12.850 5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.093 14.088 0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.972 14.534 5.188 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.346 15.678 3.893 1.00 0.00 H new ATOM 784 N ARG A 54 -0.304 14.153 4.330 1.00 0.00 N ATOM 785 CA ARG A 54 -0.002 15.018 5.464 1.00 0.00 C ATOM 786 C ARG A 54 1.295 14.590 6.145 1.00 0.00 C ATOM 787 O ARG A 54 1.366 14.508 7.370 1.00 0.00 O ATOM 788 CB ARG A 54 -1.152 14.995 6.472 1.00 0.00 C ATOM 789 CG ARG A 54 -2.432 15.626 5.950 1.00 0.00 C ATOM 790 CD ARG A 54 -2.467 17.122 6.220 1.00 0.00 C ATOM 791 NE ARG A 54 -1.752 17.879 5.196 1.00 0.00 N ATOM 792 CZ ARG A 54 -1.497 19.180 5.287 1.00 0.00 C ATOM 793 NH1 ARG A 54 -1.895 19.863 6.351 1.00 0.00 N ATOM 794 NH2 ARG A 54 -0.842 19.799 4.314 1.00 0.00 N ATOM 0 H ARG A 54 -0.525 14.650 3.467 1.00 0.00 H new ATOM 0 HA ARG A 54 0.123 16.034 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.355 13.962 6.755 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.842 15.518 7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.516 15.447 4.878 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.292 15.150 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.503 17.459 6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.025 17.325 7.196 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.431 17.382 4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.398 19.390 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.698 20.862 6.419 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.533 19.276 3.494 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.647 20.798 4.385 1.00 0.00 H new ATOM 808 N ASN A 55 2.317 14.316 5.341 1.00 0.00 N ATOM 809 CA ASN A 55 3.611 13.894 5.866 1.00 0.00 C ATOM 810 C ASN A 55 3.479 12.599 6.661 1.00 0.00 C ATOM 811 O ASN A 55 4.229 12.361 7.609 1.00 0.00 O ATOM 812 CB ASN A 55 4.207 14.991 6.751 1.00 0.00 C ATOM 813 CG ASN A 55 4.402 16.295 6.004 1.00 0.00 C ATOM 814 OD1 ASN A 55 3.954 16.445 4.867 1.00 0.00 O ATOM 815 ND2 ASN A 55 5.075 17.247 6.640 1.00 0.00 N ATOM 0 H ASN A 55 2.275 14.378 4.324 1.00 0.00 H new ATOM 0 HA ASN A 55 4.277 13.715 5.022 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.552 15.160 7.606 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.166 14.655 7.145 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.238 18.146 6.186 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.428 17.079 7.582 1.00 0.00 H new ATOM 822 N CYS A 56 2.523 11.765 6.268 1.00 0.00 N ATOM 823 CA CYS A 56 2.293 10.493 6.943 1.00 0.00 C ATOM 824 C CYS A 56 2.143 9.360 5.933 1.00 0.00 C ATOM 825 O CYS A 56 1.633 9.561 4.830 1.00 0.00 O ATOM 826 CB CYS A 56 1.044 10.577 7.822 1.00 0.00 C ATOM 827 SG CYS A 56 1.083 9.490 9.267 1.00 0.00 S ATOM 0 H CYS A 56 1.895 11.947 5.485 1.00 0.00 H new ATOM 0 HA CYS A 56 3.158 10.282 7.572 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.918 11.606 8.158 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.171 10.330 7.218 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.015 9.634 9.948 1.00 0.00 H new ATOM 833 N VAL A 57 2.592 8.169 6.316 1.00 0.00 N ATOM 834 CA VAL A 57 2.508 7.004 5.443 1.00 0.00 C ATOM 835 C VAL A 57 1.402 6.057 5.896 1.00 0.00 C ATOM 836 O VAL A 57 1.577 5.289 6.842 1.00 0.00 O ATOM 837 CB VAL A 57 3.843 6.235 5.404 1.00 0.00 C ATOM 838 CG1 VAL A 57 3.641 4.844 4.823 1.00 0.00 C ATOM 839 CG2 VAL A 57 4.880 7.010 4.606 1.00 0.00 C ATOM 0 H VAL A 57 3.017 7.985 7.225 1.00 0.00 H new ATOM 0 HA VAL A 57 2.280 7.373 4.443 1.00 0.00 H new ATOM 0 HB VAL A 57 4.210 6.126 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.594 4.316 4.803 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.933 4.291 5.440 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.251 4.927 3.809 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.817 6.453 4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.523 7.151 3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.045 7.982 5.071 1.00 0.00 H new ATOM 849 N TYR A 58 0.264 6.117 5.213 1.00 0.00 N ATOM 850 CA TYR A 58 -0.872 5.266 5.545 1.00 0.00 C ATOM 851 C TYR A 58 -0.708 3.876 4.938 1.00 0.00 C ATOM 852 O TYR A 58 -1.111 3.630 3.801 1.00 0.00 O ATOM 853 CB TYR A 58 -2.173 5.900 5.051 1.00 0.00 C ATOM 854 CG TYR A 58 -2.584 7.127 5.833 1.00 0.00 C ATOM 855 CD1 TYR A 58 -1.865 8.312 5.734 1.00 0.00 C ATOM 856 CD2 TYR A 58 -3.691 7.101 6.673 1.00 0.00 C ATOM 857 CE1 TYR A 58 -2.237 9.435 6.447 1.00 0.00 C ATOM 858 CE2 TYR A 58 -4.070 8.220 7.389 1.00 0.00 C ATOM 859 CZ TYR A 58 -3.340 9.384 7.273 1.00 0.00 C ATOM 860 OH TYR A 58 -3.714 10.500 7.986 1.00 0.00 O ATOM 0 H TYR A 58 0.104 6.746 4.426 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.913 5.166 6.630 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.060 6.170 4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.972 5.160 5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.000 8.356 5.088 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.265 6.191 6.768 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.667 10.348 6.358 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -4.934 8.183 8.036 1.00 0.00 H new ATOM 0 HH TYR A 58 -4.511 10.296 8.518 1.00 0.00 H new ATOM 870 N THR A 59 -0.112 2.968 5.706 1.00 0.00 N ATOM 871 CA THR A 59 0.107 1.603 5.245 1.00 0.00 C ATOM 872 C THR A 59 -1.111 0.728 5.518 1.00 0.00 C ATOM 873 O THR A 59 -1.526 0.565 6.666 1.00 0.00 O ATOM 874 CB THR A 59 1.339 0.973 5.922 1.00 0.00 C ATOM 875 OG1 THR A 59 2.451 1.871 5.848 1.00 0.00 O ATOM 876 CG2 THR A 59 1.703 -0.348 5.261 1.00 0.00 C ATOM 0 H THR A 59 0.227 3.154 6.650 1.00 0.00 H new ATOM 0 HA THR A 59 0.279 1.656 4.170 1.00 0.00 H new ATOM 0 HB THR A 59 1.095 0.783 6.967 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.823 1.857 4.941 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.576 -0.774 5.756 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.865 -1.040 5.344 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.930 -0.178 4.208 1.00 0.00 H new ATOM 884 N TYR A 60 -1.681 0.168 4.458 1.00 0.00 N ATOM 885 CA TYR A 60 -2.854 -0.689 4.583 1.00 0.00 C ATOM 886 C TYR A 60 -2.488 -2.151 4.346 1.00 0.00 C ATOM 887 O TYR A 60 -1.968 -2.509 3.289 1.00 0.00 O ATOM 888 CB TYR A 60 -3.937 -0.256 3.594 1.00 0.00 C ATOM 889 CG TYR A 60 -4.719 0.957 4.046 1.00 0.00 C ATOM 890 CD1 TYR A 60 -5.808 0.828 4.898 1.00 0.00 C ATOM 891 CD2 TYR A 60 -4.368 2.232 3.620 1.00 0.00 C ATOM 892 CE1 TYR A 60 -6.526 1.934 5.313 1.00 0.00 C ATOM 893 CE2 TYR A 60 -5.078 3.344 4.030 1.00 0.00 C ATOM 894 CZ TYR A 60 -6.157 3.189 4.876 1.00 0.00 C ATOM 895 OH TYR A 60 -6.868 4.293 5.288 1.00 0.00 O ATOM 0 H TYR A 60 -1.350 0.292 3.501 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.238 -0.589 5.598 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.473 -0.041 2.631 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.627 -1.085 3.437 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.099 -0.153 5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.525 2.356 2.956 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -7.371 1.816 5.975 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.790 4.328 3.691 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.478 5.100 4.891 1.00 0.00 H new ATOM 905 N ARG A 61 -2.765 -2.992 5.337 1.00 0.00 N ATOM 906 CA ARG A 61 -2.465 -4.416 5.237 1.00 0.00 C ATOM 907 C ARG A 61 -3.615 -5.168 4.574 1.00 0.00 C ATOM 908 O ARG A 61 -4.769 -5.048 4.988 1.00 0.00 O ATOM 909 CB ARG A 61 -2.193 -4.999 6.625 1.00 0.00 C ATOM 910 CG ARG A 61 -0.913 -4.483 7.262 1.00 0.00 C ATOM 911 CD ARG A 61 -0.351 -5.477 8.266 1.00 0.00 C ATOM 912 NE ARG A 61 0.386 -4.813 9.339 1.00 0.00 N ATOM 913 CZ ARG A 61 0.911 -5.456 10.376 1.00 0.00 C ATOM 914 NH1 ARG A 61 0.782 -6.771 10.480 1.00 0.00 N ATOM 915 NH2 ARG A 61 1.568 -4.782 11.312 1.00 0.00 N ATOM 0 H ARG A 61 -3.196 -2.713 6.218 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.574 -4.533 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.034 -4.766 7.279 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.139 -6.085 6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.172 -4.289 6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.110 -3.533 7.760 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.166 -6.061 8.693 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.308 -6.177 7.753 1.00 0.00 H new ATOM 0 HE ARG A 61 0.504 -3.801 9.289 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.278 -7.292 9.762 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.186 -7.262 11.278 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.670 -3.770 11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.971 -5.276 12.108 1.00 0.00 H new ATOM 929 N ILE A 62 -3.292 -5.943 3.544 1.00 0.00 N ATOM 930 CA ILE A 62 -4.298 -6.715 2.824 1.00 0.00 C ATOM 931 C ILE A 62 -4.205 -8.197 3.171 1.00 0.00 C ATOM 932 O ILE A 62 -3.367 -8.921 2.632 1.00 0.00 O ATOM 933 CB ILE A 62 -4.153 -6.546 1.300 1.00 0.00 C ATOM 934 CG1 ILE A 62 -4.301 -5.073 0.912 1.00 0.00 C ATOM 935 CG2 ILE A 62 -5.183 -7.397 0.573 1.00 0.00 C ATOM 936 CD1 ILE A 62 -2.997 -4.307 0.936 1.00 0.00 C ATOM 0 H ILE A 62 -2.342 -6.053 3.189 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.271 -6.332 3.133 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.159 -6.882 1.005 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.731 -5.011 -0.088 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.006 -4.596 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.068 -7.267 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.035 -8.446 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.185 -7.089 0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.178 -3.271 0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.575 -4.338 1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.296 -4.759 0.234 1.00 0.00 H new ATOM 948 N LEU A 63 -5.072 -8.643 4.074 1.00 0.00 N ATOM 949 CA LEU A 63 -5.090 -10.040 4.492 1.00 0.00 C ATOM 950 C LEU A 63 -6.033 -10.858 3.616 1.00 0.00 C ATOM 951 O LEU A 63 -7.086 -10.388 3.187 1.00 0.00 O ATOM 952 CB LEU A 63 -5.514 -10.149 5.958 1.00 0.00 C ATOM 953 CG LEU A 63 -4.514 -9.619 6.987 1.00 0.00 C ATOM 954 CD1 LEU A 63 -3.368 -10.602 7.172 1.00 0.00 C ATOM 955 CD2 LEU A 63 -3.987 -8.255 6.565 1.00 0.00 C ATOM 0 H LEU A 63 -5.771 -8.057 4.530 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.082 -10.440 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.454 -9.612 6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.713 -11.197 6.181 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.028 -9.508 7.942 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.666 -10.209 7.907 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.761 -11.557 7.520 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.855 -10.745 6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.277 -7.893 7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.489 -8.340 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.817 -7.553 6.485 1.00 0.00 H new ATOM 967 N PRO A 64 -5.649 -12.115 3.345 1.00 0.00 N ATOM 968 CA PRO A 64 -6.447 -13.026 2.521 1.00 0.00 C ATOM 969 C PRO A 64 -7.730 -13.465 3.218 1.00 0.00 C ATOM 970 O PRO A 64 -7.704 -13.912 4.364 1.00 0.00 O ATOM 971 CB PRO A 64 -5.516 -14.223 2.312 1.00 0.00 C ATOM 972 CG PRO A 64 -4.593 -14.194 3.481 1.00 0.00 C ATOM 973 CD PRO A 64 -4.405 -12.742 3.824 1.00 0.00 C ATOM 0 HA PRO A 64 -6.774 -12.556 1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.076 -15.158 2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -4.969 -14.139 1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.013 -14.743 4.324 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.640 -14.664 3.238 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.268 -12.597 4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.528 -12.323 3.331 1.00 0.00 H new ATOM 981 N ASN A 65 -8.853 -13.335 2.518 1.00 0.00 N ATOM 982 CA ASN A 65 -10.147 -13.718 3.071 1.00 0.00 C ATOM 983 C ASN A 65 -10.708 -14.939 2.347 1.00 0.00 C ATOM 984 O ASN A 65 -10.094 -15.454 1.413 1.00 0.00 O ATOM 985 CB ASN A 65 -11.134 -12.553 2.969 1.00 0.00 C ATOM 986 CG ASN A 65 -11.003 -11.582 4.127 1.00 0.00 C ATOM 987 OD1 ASN A 65 -11.698 -10.454 4.033 1.00 0.00 O flip ATOM 988 ND2 ASN A 65 -10.287 -11.844 5.093 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.893 -12.968 1.567 1.00 0.00 H new ATOM 0 HA ASN A 65 -10.004 -13.974 4.121 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.969 -12.021 2.032 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.151 -12.944 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.771 -12.724 5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -10.209 -11.182 5.865 1.00 0.00 H new ATOM 995 N GLU A 66 -11.877 -15.394 2.785 1.00 0.00 N ATOM 996 CA GLU A 66 -12.520 -16.554 2.179 1.00 0.00 C ATOM 997 C GLU A 66 -12.275 -16.587 0.673 1.00 0.00 C ATOM 998 O GLU A 66 -12.481 -15.592 -0.021 1.00 0.00 O ATOM 999 CB GLU A 66 -14.023 -16.538 2.463 1.00 0.00 C ATOM 1000 CG GLU A 66 -14.727 -17.832 2.088 1.00 0.00 C ATOM 1001 CD GLU A 66 -16.156 -17.886 2.593 1.00 0.00 C ATOM 1002 OE1 GLU A 66 -16.360 -17.742 3.816 1.00 0.00 O ATOM 1003 OE2 GLU A 66 -17.071 -18.072 1.763 1.00 0.00 O ATOM 0 H GLU A 66 -12.398 -14.978 3.557 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.084 -17.451 2.620 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.182 -16.342 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.479 -15.714 1.915 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.724 -17.942 1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.170 -18.676 2.495 1.00 0.00 H new ATOM 1010 N ASP A 67 -11.834 -17.737 0.177 1.00 0.00 N ATOM 1011 CA ASP A 67 -11.561 -17.901 -1.247 1.00 0.00 C ATOM 1012 C ASP A 67 -10.341 -17.085 -1.663 1.00 0.00 C ATOM 1013 O ASP A 67 -10.216 -16.684 -2.820 1.00 0.00 O ATOM 1014 CB ASP A 67 -12.777 -17.480 -2.073 1.00 0.00 C ATOM 1015 CG ASP A 67 -12.693 -17.953 -3.510 1.00 0.00 C ATOM 1016 OD1 ASP A 67 -12.247 -19.098 -3.733 1.00 0.00 O ATOM 1017 OD2 ASP A 67 -13.073 -17.178 -4.413 1.00 0.00 O ATOM 0 H ASP A 67 -11.658 -18.570 0.739 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.352 -18.955 -1.433 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.681 -17.881 -1.614 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.866 -16.394 -2.056 1.00 0.00 H new ATOM 1022 N ASP A 68 -9.444 -16.844 -0.713 1.00 0.00 N ATOM 1023 CA ASP A 68 -8.234 -16.076 -0.981 1.00 0.00 C ATOM 1024 C ASP A 68 -8.566 -14.768 -1.692 1.00 0.00 C ATOM 1025 O ASP A 68 -7.931 -14.408 -2.683 1.00 0.00 O ATOM 1026 CB ASP A 68 -7.261 -16.898 -1.828 1.00 0.00 C ATOM 1027 CG ASP A 68 -6.690 -18.081 -1.070 1.00 0.00 C ATOM 1028 OD1 ASP A 68 -7.452 -18.728 -0.322 1.00 0.00 O ATOM 1029 OD2 ASP A 68 -5.482 -18.359 -1.225 1.00 0.00 O ATOM 0 H ASP A 68 -9.532 -17.170 0.250 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.764 -15.840 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.774 -17.256 -2.721 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.445 -16.257 -2.164 1.00 0.00 H new ATOM 1034 N LYS A 69 -9.567 -14.060 -1.179 1.00 0.00 N ATOM 1035 CA LYS A 69 -9.985 -12.791 -1.763 1.00 0.00 C ATOM 1036 C LYS A 69 -9.160 -11.636 -1.204 1.00 0.00 C ATOM 1037 O LYS A 69 -8.869 -11.590 -0.009 1.00 0.00 O ATOM 1038 CB LYS A 69 -11.472 -12.547 -1.494 1.00 0.00 C ATOM 1039 CG LYS A 69 -12.375 -13.648 -2.023 1.00 0.00 C ATOM 1040 CD LYS A 69 -12.759 -13.405 -3.473 1.00 0.00 C ATOM 1041 CE LYS A 69 -11.758 -14.038 -4.428 1.00 0.00 C ATOM 1042 NZ LYS A 69 -12.374 -14.354 -5.746 1.00 0.00 N ATOM 0 H LYS A 69 -10.104 -14.344 -0.360 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.821 -12.844 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.627 -12.447 -0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -11.764 -11.600 -1.948 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.868 -14.609 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.276 -13.706 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.752 -13.814 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.815 -12.333 -3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.916 -13.361 -4.573 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.360 -14.951 -3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.630 -14.425 -6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.883 -15.259 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.040 -13.600 -6.008 1.00 0.00 H new ATOM 1056 N PHE A 70 -8.787 -10.705 -2.076 1.00 0.00 N ATOM 1057 CA PHE A 70 -7.996 -9.550 -1.668 1.00 0.00 C ATOM 1058 C PHE A 70 -8.893 -8.437 -1.135 1.00 0.00 C ATOM 1059 O PHE A 70 -9.523 -7.709 -1.902 1.00 0.00 O ATOM 1060 CB PHE A 70 -7.167 -9.032 -2.846 1.00 0.00 C ATOM 1061 CG PHE A 70 -6.209 -10.049 -3.398 1.00 0.00 C ATOM 1062 CD1 PHE A 70 -5.280 -10.663 -2.574 1.00 0.00 C ATOM 1063 CD2 PHE A 70 -6.239 -10.390 -4.740 1.00 0.00 C ATOM 1064 CE1 PHE A 70 -4.397 -11.598 -3.080 1.00 0.00 C ATOM 1065 CE2 PHE A 70 -5.359 -11.325 -5.252 1.00 0.00 C ATOM 1066 CZ PHE A 70 -4.437 -11.931 -4.420 1.00 0.00 C ATOM 0 H PHE A 70 -9.020 -10.728 -3.069 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.324 -9.865 -0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.841 -8.710 -3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.607 -8.153 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.245 -10.408 -1.525 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.958 -9.920 -5.394 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.676 -12.068 -2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.392 -11.581 -6.301 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.749 -12.663 -4.817 1.00 0.00 H new ATOM 1076 N THR A 71 -8.946 -8.311 0.188 1.00 0.00 N ATOM 1077 CA THR A 71 -9.767 -7.289 0.826 1.00 0.00 C ATOM 1078 C THR A 71 -8.926 -6.392 1.726 1.00 0.00 C ATOM 1079 O THR A 71 -8.005 -6.858 2.399 1.00 0.00 O ATOM 1080 CB THR A 71 -10.899 -7.918 1.660 1.00 0.00 C ATOM 1081 OG1 THR A 71 -10.370 -8.457 2.876 1.00 0.00 O ATOM 1082 CG2 THR A 71 -11.603 -9.015 0.876 1.00 0.00 C ATOM 0 H THR A 71 -8.430 -8.904 0.838 1.00 0.00 H new ATOM 0 HA THR A 71 -10.204 -6.690 0.027 1.00 0.00 H new ATOM 0 HB THR A 71 -11.624 -7.139 1.894 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.069 -8.961 3.342 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.398 -9.444 1.485 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.030 -8.595 -0.035 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.886 -9.793 0.615 1.00 0.00 H new ATOM 1090 N VAL A 72 -9.247 -5.102 1.736 1.00 0.00 N ATOM 1091 CA VAL A 72 -8.522 -4.139 2.556 1.00 0.00 C ATOM 1092 C VAL A 72 -9.178 -3.977 3.923 1.00 0.00 C ATOM 1093 O VAL A 72 -10.401 -4.039 4.045 1.00 0.00 O ATOM 1094 CB VAL A 72 -8.444 -2.763 1.869 1.00 0.00 C ATOM 1095 CG1 VAL A 72 -7.886 -1.720 2.825 1.00 0.00 C ATOM 1096 CG2 VAL A 72 -7.601 -2.846 0.606 1.00 0.00 C ATOM 0 H VAL A 72 -10.005 -4.700 1.185 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.513 -4.530 2.685 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.452 -2.459 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.838 -0.754 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.534 -1.643 3.698 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.885 -2.014 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.556 -1.865 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.593 -3.171 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.049 -3.561 -0.084 1.00 0.00 H new ATOM 1106 N GLN A 73 -8.357 -3.768 4.946 1.00 0.00 N ATOM 1107 CA GLN A 73 -8.858 -3.596 6.305 1.00 0.00 C ATOM 1108 C GLN A 73 -8.830 -2.127 6.714 1.00 0.00 C ATOM 1109 O GLN A 73 -8.050 -1.728 7.578 1.00 0.00 O ATOM 1110 CB GLN A 73 -8.029 -4.427 7.286 1.00 0.00 C ATOM 1111 CG GLN A 73 -8.228 -5.926 7.132 1.00 0.00 C ATOM 1112 CD GLN A 73 -8.023 -6.678 8.433 1.00 0.00 C ATOM 1113 OE1 GLN A 73 -6.915 -6.726 8.967 1.00 0.00 O ATOM 1114 NE2 GLN A 73 -9.093 -7.271 8.949 1.00 0.00 N ATOM 0 H GLN A 73 -7.342 -3.714 4.860 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.892 -3.941 6.330 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.974 -4.193 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.288 -4.137 8.304 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.234 -6.119 6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.533 -6.306 6.383 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -9.992 -7.205 8.472 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.016 -7.792 9.822 1.00 0.00 H new ATOM 1123 N ALA A 74 -9.687 -1.327 6.087 1.00 0.00 N ATOM 1124 CA ALA A 74 -9.761 0.097 6.388 1.00 0.00 C ATOM 1125 C ALA A 74 -10.882 0.392 7.379 1.00 0.00 C ATOM 1126 O ALA A 74 -10.628 0.780 8.519 1.00 0.00 O ATOM 1127 CB ALA A 74 -9.962 0.896 5.108 1.00 0.00 C ATOM 0 H ALA A 74 -10.339 -1.641 5.368 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.819 0.396 6.847 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.016 1.958 5.347 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.125 0.718 4.433 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.889 0.585 4.627 1.00 0.00 H new ATOM 1210 N ARG A 81 -15.807 -5.045 1.569 1.00 0.00 N ATOM 1211 CA ARG A 81 -15.882 -5.441 0.168 1.00 0.00 C ATOM 1212 C ARG A 81 -14.802 -6.467 -0.166 1.00 0.00 C ATOM 1213 O ARG A 81 -13.782 -6.554 0.517 1.00 0.00 O ATOM 1214 CB ARG A 81 -15.735 -4.217 -0.738 1.00 0.00 C ATOM 1215 CG ARG A 81 -17.034 -3.458 -0.953 1.00 0.00 C ATOM 1216 CD ARG A 81 -16.903 -2.433 -2.068 1.00 0.00 C ATOM 1217 NE ARG A 81 -18.195 -2.107 -2.667 1.00 0.00 N ATOM 1218 CZ ARG A 81 -18.769 -2.837 -3.617 1.00 0.00 C ATOM 1219 NH1 ARG A 81 -18.169 -3.927 -4.074 1.00 0.00 N ATOM 1220 NH2 ARG A 81 -19.946 -2.475 -4.112 1.00 0.00 N ATOM 0 HA ARG A 81 -16.857 -5.897 -0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.997 -3.542 -0.305 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.346 -4.536 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -17.831 -4.161 -1.195 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -17.321 -2.957 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.447 -1.525 -1.674 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.234 -2.818 -2.837 1.00 0.00 H new ATOM 0 HE ARG A 81 -18.683 -1.274 -2.338 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -17.264 -4.207 -3.696 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -18.612 -4.485 -4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -20.410 -1.636 -3.763 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -20.387 -3.035 -4.841 1.00 0.00 H new ATOM 1234 N PHE A 82 -15.036 -7.242 -1.220 1.00 0.00 N ATOM 1235 CA PHE A 82 -14.085 -8.263 -1.644 1.00 0.00 C ATOM 1236 C PHE A 82 -13.926 -8.262 -3.161 1.00 0.00 C ATOM 1237 O PHE A 82 -14.906 -8.368 -3.899 1.00 0.00 O ATOM 1238 CB PHE A 82 -14.541 -9.644 -1.168 1.00 0.00 C ATOM 1239 CG PHE A 82 -15.049 -9.653 0.246 1.00 0.00 C ATOM 1240 CD1 PHE A 82 -16.229 -9.005 0.576 1.00 0.00 C ATOM 1241 CD2 PHE A 82 -14.348 -10.310 1.244 1.00 0.00 C ATOM 1242 CE1 PHE A 82 -16.698 -9.012 1.876 1.00 0.00 C ATOM 1243 CE2 PHE A 82 -14.812 -10.320 2.545 1.00 0.00 C ATOM 1244 CZ PHE A 82 -15.990 -9.671 2.862 1.00 0.00 C ATOM 0 H PHE A 82 -15.876 -7.182 -1.796 1.00 0.00 H new ATOM 0 HA PHE A 82 -13.119 -8.033 -1.195 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -15.327 -10.007 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.708 -10.342 -1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.788 -8.489 -0.191 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.428 -10.821 1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.618 -8.502 2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.255 -10.835 3.314 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.356 -9.679 3.878 1.00 0.00 H new ATOM 1254 N PHE A 83 -12.685 -8.141 -3.620 1.00 0.00 N ATOM 1255 CA PHE A 83 -12.397 -8.125 -5.050 1.00 0.00 C ATOM 1256 C PHE A 83 -11.812 -9.460 -5.502 1.00 0.00 C ATOM 1257 O PHE A 83 -11.556 -10.347 -4.687 1.00 0.00 O ATOM 1258 CB PHE A 83 -11.425 -6.991 -5.383 1.00 0.00 C ATOM 1259 CG PHE A 83 -11.814 -5.672 -4.779 1.00 0.00 C ATOM 1260 CD1 PHE A 83 -12.658 -4.807 -5.457 1.00 0.00 C ATOM 1261 CD2 PHE A 83 -11.335 -5.296 -3.534 1.00 0.00 C ATOM 1262 CE1 PHE A 83 -13.017 -3.592 -4.904 1.00 0.00 C ATOM 1263 CE2 PHE A 83 -11.691 -4.083 -2.976 1.00 0.00 C ATOM 1264 CZ PHE A 83 -12.534 -3.230 -3.662 1.00 0.00 C ATOM 0 H PHE A 83 -11.863 -8.053 -3.023 1.00 0.00 H new ATOM 0 HA PHE A 83 -13.334 -7.960 -5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -10.429 -7.262 -5.033 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -11.364 -6.882 -6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.040 -5.085 -6.428 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.676 -5.959 -2.994 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -13.675 -2.926 -5.443 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -11.311 -3.802 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 83 -12.815 -2.282 -3.228 1.00 0.00 H new ATOM 1274 N THR A 84 -11.604 -9.596 -6.808 1.00 0.00 N ATOM 1275 CA THR A 84 -11.052 -10.822 -7.370 1.00 0.00 C ATOM 1276 C THR A 84 -9.547 -10.701 -7.582 1.00 0.00 C ATOM 1277 O THR A 84 -8.777 -11.557 -7.145 1.00 0.00 O ATOM 1278 CB THR A 84 -11.721 -11.176 -8.712 1.00 0.00 C ATOM 1279 OG1 THR A 84 -13.117 -10.863 -8.660 1.00 0.00 O ATOM 1280 CG2 THR A 84 -11.539 -12.651 -9.035 1.00 0.00 C ATOM 0 H THR A 84 -11.810 -8.872 -7.496 1.00 0.00 H new ATOM 0 HA THR A 84 -11.252 -11.617 -6.652 1.00 0.00 H new ATOM 0 HB THR A 84 -11.245 -10.587 -9.497 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.535 -11.089 -9.517 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.020 -12.877 -9.987 1.00 0.00 H new ATOM 0 HG22 THR A 84 -10.475 -12.880 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.991 -13.254 -8.248 1.00 0.00 H new ATOM 1288 N LYS A 85 -9.133 -9.633 -8.254 1.00 0.00 N ATOM 1289 CA LYS A 85 -7.720 -9.397 -8.523 1.00 0.00 C ATOM 1290 C LYS A 85 -7.199 -8.220 -7.705 1.00 0.00 C ATOM 1291 O LYS A 85 -7.977 -7.446 -7.147 1.00 0.00 O ATOM 1292 CB LYS A 85 -7.500 -9.132 -10.014 1.00 0.00 C ATOM 1293 CG LYS A 85 -8.465 -9.885 -10.914 1.00 0.00 C ATOM 1294 CD LYS A 85 -8.093 -11.354 -11.025 1.00 0.00 C ATOM 1295 CE LYS A 85 -7.117 -11.598 -12.165 1.00 0.00 C ATOM 1296 NZ LYS A 85 -5.702 -11.479 -11.719 1.00 0.00 N ATOM 0 H LYS A 85 -9.757 -8.916 -8.623 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.167 -10.291 -8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.599 -8.063 -10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.479 -9.409 -10.277 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -9.477 -9.794 -10.520 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -8.467 -9.433 -11.906 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.650 -11.690 -10.087 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.994 -11.947 -11.183 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.285 -12.592 -12.580 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.307 -10.882 -12.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.100 -12.091 -12.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.390 -10.492 -11.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.626 -11.771 -10.724 1.00 0.00 H new ATOM 1310 N LEU A 86 -5.878 -8.091 -7.637 1.00 0.00 N ATOM 1311 CA LEU A 86 -5.253 -7.007 -6.887 1.00 0.00 C ATOM 1312 C LEU A 86 -5.670 -5.649 -7.443 1.00 0.00 C ATOM 1313 O LEU A 86 -6.077 -4.760 -6.696 1.00 0.00 O ATOM 1314 CB LEU A 86 -3.730 -7.143 -6.931 1.00 0.00 C ATOM 1315 CG LEU A 86 -2.972 -6.593 -5.722 1.00 0.00 C ATOM 1316 CD1 LEU A 86 -3.566 -5.265 -5.279 1.00 0.00 C ATOM 1317 CD2 LEU A 86 -2.994 -7.597 -4.578 1.00 0.00 C ATOM 0 H LEU A 86 -5.220 -8.723 -8.092 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.588 -7.073 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.483 -8.199 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.366 -6.636 -7.825 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.935 -6.425 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.014 -4.889 -4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.499 -4.546 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.612 -5.407 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.450 -7.190 -3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.026 -7.796 -4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.522 -8.525 -4.900 1.00 0.00 H new ATOM 1329 N ASP A 87 -5.568 -5.498 -8.759 1.00 0.00 N ATOM 1330 CA ASP A 87 -5.938 -4.250 -9.416 1.00 0.00 C ATOM 1331 C ASP A 87 -7.408 -3.923 -9.175 1.00 0.00 C ATOM 1332 O ASP A 87 -7.741 -2.849 -8.676 1.00 0.00 O ATOM 1333 CB ASP A 87 -5.662 -4.338 -10.918 1.00 0.00 C ATOM 1334 CG ASP A 87 -6.278 -3.187 -11.689 1.00 0.00 C ATOM 1335 OD1 ASP A 87 -5.862 -2.032 -11.461 1.00 0.00 O ATOM 1336 OD2 ASP A 87 -7.176 -3.441 -12.518 1.00 0.00 O ATOM 0 H ASP A 87 -5.232 -6.224 -9.392 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.332 -3.451 -8.989 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.585 -4.349 -11.086 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.054 -5.280 -11.302 1.00 0.00 H new ATOM 1341 N GLN A 88 -8.283 -4.857 -9.534 1.00 0.00 N ATOM 1342 CA GLN A 88 -9.718 -4.667 -9.357 1.00 0.00 C ATOM 1343 C GLN A 88 -10.017 -3.979 -8.030 1.00 0.00 C ATOM 1344 O GLN A 88 -10.967 -3.203 -7.921 1.00 0.00 O ATOM 1345 CB GLN A 88 -10.444 -6.012 -9.423 1.00 0.00 C ATOM 1346 CG GLN A 88 -10.274 -6.731 -10.752 1.00 0.00 C ATOM 1347 CD GLN A 88 -11.304 -6.308 -11.780 1.00 0.00 C ATOM 1348 OE1 GLN A 88 -12.390 -5.844 -11.433 1.00 0.00 O ATOM 1349 NE2 GLN A 88 -10.967 -6.466 -13.055 1.00 0.00 N ATOM 0 H GLN A 88 -8.024 -5.752 -9.949 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.076 -4.029 -10.165 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.076 -6.654 -8.623 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.506 -5.851 -9.240 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.275 -6.535 -11.142 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.347 -7.807 -10.591 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.056 -6.855 -13.297 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -11.620 -6.199 -13.792 1.00 0.00 H new ATOM 1358 N LEU A 89 -9.201 -4.269 -7.022 1.00 0.00 N ATOM 1359 CA LEU A 89 -9.378 -3.678 -5.700 1.00 0.00 C ATOM 1360 C LEU A 89 -8.973 -2.208 -5.702 1.00 0.00 C ATOM 1361 O LEU A 89 -9.661 -1.364 -5.127 1.00 0.00 O ATOM 1362 CB LEU A 89 -8.554 -4.444 -4.663 1.00 0.00 C ATOM 1363 CG LEU A 89 -8.340 -3.740 -3.323 1.00 0.00 C ATOM 1364 CD1 LEU A 89 -8.120 -4.758 -2.214 1.00 0.00 C ATOM 1365 CD2 LEU A 89 -7.164 -2.778 -3.408 1.00 0.00 C ATOM 0 H LEU A 89 -8.411 -4.910 -7.095 1.00 0.00 H new ATOM 0 HA LEU A 89 -10.434 -3.745 -5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.042 -5.400 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.578 -4.664 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 89 -9.237 -3.166 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.969 -4.238 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.993 -5.407 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.240 -5.360 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.026 -2.286 -2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.260 -3.330 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.362 -2.028 -4.174 1.00 0.00 H new ATOM 1377 N ILE A 90 -7.855 -1.908 -6.354 1.00 0.00 N ATOM 1378 CA ILE A 90 -7.361 -0.539 -6.433 1.00 0.00 C ATOM 1379 C ILE A 90 -8.302 0.338 -7.251 1.00 0.00 C ATOM 1380 O ILE A 90 -8.801 1.352 -6.764 1.00 0.00 O ATOM 1381 CB ILE A 90 -5.954 -0.484 -7.057 1.00 0.00 C ATOM 1382 CG1 ILE A 90 -4.991 -1.382 -6.279 1.00 0.00 C ATOM 1383 CG2 ILE A 90 -5.443 0.949 -7.086 1.00 0.00 C ATOM 1384 CD1 ILE A 90 -4.698 -0.886 -4.880 1.00 0.00 C ATOM 0 H ILE A 90 -7.274 -2.595 -6.835 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.312 -0.161 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.013 -0.849 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.411 -2.386 -6.219 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.055 -1.461 -6.831 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.448 0.971 -7.530 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.119 1.564 -7.680 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.396 1.339 -6.069 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.009 -1.572 -4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.248 0.105 -4.932 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.626 -0.834 -4.311 1.00 0.00 H new ATOM 1396 N GLU A 91 -8.541 -0.060 -8.497 1.00 0.00 N ATOM 1397 CA GLU A 91 -9.424 0.690 -9.382 1.00 0.00 C ATOM 1398 C GLU A 91 -10.645 1.205 -8.624 1.00 0.00 C ATOM 1399 O GLU A 91 -11.164 2.282 -8.918 1.00 0.00 O ATOM 1400 CB GLU A 91 -9.871 -0.185 -10.555 1.00 0.00 C ATOM 1401 CG GLU A 91 -10.055 0.584 -11.852 1.00 0.00 C ATOM 1402 CD GLU A 91 -11.465 1.117 -12.019 1.00 0.00 C ATOM 1403 OE1 GLU A 91 -12.334 0.356 -12.493 1.00 0.00 O ATOM 1404 OE2 GLU A 91 -11.699 2.295 -11.676 1.00 0.00 O ATOM 0 H GLU A 91 -8.136 -0.897 -8.916 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.869 1.545 -9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.134 -0.973 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -10.810 -0.674 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.351 1.415 -11.880 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.814 -0.066 -12.693 1.00 0.00 H new ATOM 1411 N PHE A 92 -11.099 0.427 -7.647 1.00 0.00 N ATOM 1412 CA PHE A 92 -12.259 0.802 -6.847 1.00 0.00 C ATOM 1413 C PHE A 92 -11.899 1.896 -5.847 1.00 0.00 C ATOM 1414 O PHE A 92 -12.693 2.802 -5.588 1.00 0.00 O ATOM 1415 CB PHE A 92 -12.812 -0.419 -6.108 1.00 0.00 C ATOM 1416 CG PHE A 92 -13.900 -0.084 -5.128 1.00 0.00 C ATOM 1417 CD1 PHE A 92 -13.589 0.379 -3.860 1.00 0.00 C ATOM 1418 CD2 PHE A 92 -15.233 -0.231 -5.475 1.00 0.00 C ATOM 1419 CE1 PHE A 92 -14.588 0.687 -2.956 1.00 0.00 C ATOM 1420 CE2 PHE A 92 -16.236 0.076 -4.576 1.00 0.00 C ATOM 1421 CZ PHE A 92 -15.913 0.536 -3.314 1.00 0.00 C ATOM 0 H PHE A 92 -10.681 -0.467 -7.390 1.00 0.00 H new ATOM 0 HA PHE A 92 -13.024 1.188 -7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.198 -1.131 -6.837 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.997 -0.914 -5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -12.554 0.501 -3.575 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -15.491 -0.590 -6.460 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -14.332 1.046 -1.970 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -17.271 -0.043 -4.859 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.695 0.777 -2.609 1.00 0.00 H new ATOM 1431 N TYR A 93 -10.698 1.806 -5.287 1.00 0.00 N ATOM 1432 CA TYR A 93 -10.233 2.786 -4.312 1.00 0.00 C ATOM 1433 C TYR A 93 -9.619 3.997 -5.008 1.00 0.00 C ATOM 1434 O TYR A 93 -8.719 4.645 -4.474 1.00 0.00 O ATOM 1435 CB TYR A 93 -9.209 2.152 -3.369 1.00 0.00 C ATOM 1436 CG TYR A 93 -9.829 1.498 -2.155 1.00 0.00 C ATOM 1437 CD1 TYR A 93 -10.312 2.262 -1.100 1.00 0.00 C ATOM 1438 CD2 TYR A 93 -9.929 0.115 -2.062 1.00 0.00 C ATOM 1439 CE1 TYR A 93 -10.878 1.669 0.012 1.00 0.00 C ATOM 1440 CE2 TYR A 93 -10.495 -0.487 -0.954 1.00 0.00 C ATOM 1441 CZ TYR A 93 -10.968 0.294 0.080 1.00 0.00 C ATOM 1442 OH TYR A 93 -11.531 -0.301 1.185 1.00 0.00 O ATOM 0 H TYR A 93 -10.028 1.064 -5.491 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.093 3.120 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -8.633 1.407 -3.919 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.507 2.918 -3.040 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.244 3.339 -1.150 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.558 -0.500 -2.869 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.248 2.278 0.823 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.567 -1.563 -0.898 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.518 -1.275 1.074 1.00 0.00 H new ATOM 1452 N LYS A 94 -10.113 4.297 -6.204 1.00 0.00 N ATOM 1453 CA LYS A 94 -9.617 5.431 -6.975 1.00 0.00 C ATOM 1454 C LYS A 94 -10.578 6.612 -6.886 1.00 0.00 C ATOM 1455 O LYS A 94 -10.315 7.683 -7.433 1.00 0.00 O ATOM 1456 CB LYS A 94 -9.418 5.031 -8.439 1.00 0.00 C ATOM 1457 CG LYS A 94 -8.340 3.980 -8.641 1.00 0.00 C ATOM 1458 CD LYS A 94 -7.849 3.954 -10.079 1.00 0.00 C ATOM 1459 CE LYS A 94 -6.614 3.080 -10.230 1.00 0.00 C ATOM 1460 NZ LYS A 94 -6.457 2.578 -11.624 1.00 0.00 N ATOM 0 H LYS A 94 -10.857 3.770 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.658 5.733 -6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.361 4.653 -8.835 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.162 5.918 -9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.503 4.183 -7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.732 2.999 -8.372 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.641 3.582 -10.728 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.620 4.969 -10.405 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.729 3.650 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.681 2.235 -9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -5.577 2.028 -11.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.266 1.971 -11.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.418 3.383 -12.281 1.00 0.00 H new ATOM 1474 N LYS A 95 -11.693 6.411 -6.192 1.00 0.00 N ATOM 1475 CA LYS A 95 -12.693 7.459 -6.028 1.00 0.00 C ATOM 1476 C LYS A 95 -12.460 8.236 -4.737 1.00 0.00 C ATOM 1477 O LYS A 95 -11.774 7.762 -3.832 1.00 0.00 O ATOM 1478 CB LYS A 95 -14.099 6.856 -6.026 1.00 0.00 C ATOM 1479 CG LYS A 95 -14.701 6.710 -7.413 1.00 0.00 C ATOM 1480 CD LYS A 95 -14.169 5.478 -8.125 1.00 0.00 C ATOM 1481 CE LYS A 95 -14.605 5.443 -9.581 1.00 0.00 C ATOM 1482 NZ LYS A 95 -14.260 4.150 -10.234 1.00 0.00 N ATOM 0 H LYS A 95 -11.927 5.530 -5.733 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.601 8.148 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.064 5.876 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.753 7.483 -5.419 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.786 6.646 -7.335 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -14.476 7.598 -8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.080 5.467 -8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -14.523 4.581 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -15.681 5.604 -9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.129 6.261 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.574 4.167 -11.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.230 4.007 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.734 3.371 -9.734 1.00 0.00 H new ATOM 1549 N LEU A 100 -9.897 5.711 0.472 1.00 0.00 N ATOM 1550 CA LEU A 100 -8.895 5.887 1.518 1.00 0.00 C ATOM 1551 C LEU A 100 -8.730 7.362 1.871 1.00 0.00 C ATOM 1552 O LEU A 100 -9.392 8.226 1.297 1.00 0.00 O ATOM 1553 CB LEU A 100 -7.553 5.305 1.071 1.00 0.00 C ATOM 1554 CG LEU A 100 -7.602 3.910 0.446 1.00 0.00 C ATOM 1555 CD1 LEU A 100 -6.463 3.729 -0.546 1.00 0.00 C ATOM 1556 CD2 LEU A 100 -7.545 2.840 1.527 1.00 0.00 C ATOM 0 HA LEU A 100 -9.236 5.355 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.105 5.989 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.888 5.272 1.934 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.544 3.806 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -6.514 2.731 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.548 4.474 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.510 3.853 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.581 1.854 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.618 2.943 2.092 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -8.395 2.957 2.200 1.00 0.00 H new ATOM 1568 N VAL A 101 -7.841 7.642 2.819 1.00 0.00 N ATOM 1569 CA VAL A 101 -7.587 9.013 3.247 1.00 0.00 C ATOM 1570 C VAL A 101 -7.595 9.969 2.060 1.00 0.00 C ATOM 1571 O VAL A 101 -8.010 11.123 2.180 1.00 0.00 O ATOM 1572 CB VAL A 101 -6.236 9.131 3.977 1.00 0.00 C ATOM 1573 CG1 VAL A 101 -5.092 8.747 3.051 1.00 0.00 C ATOM 1574 CG2 VAL A 101 -6.045 10.539 4.519 1.00 0.00 C ATOM 0 H VAL A 101 -7.285 6.938 3.305 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.388 9.284 3.934 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.237 8.439 4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -4.146 8.837 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.224 7.718 2.717 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.085 9.411 2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.085 10.604 5.032 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -6.065 11.252 3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.847 10.771 5.219 1.00 0.00 H new ATOM 1584 N THR A 102 -7.135 9.483 0.911 1.00 0.00 N ATOM 1585 CA THR A 102 -7.089 10.295 -0.298 1.00 0.00 C ATOM 1586 C THR A 102 -7.284 9.437 -1.543 1.00 0.00 C ATOM 1587 O THR A 102 -6.831 8.293 -1.598 1.00 0.00 O ATOM 1588 CB THR A 102 -5.754 11.054 -0.415 1.00 0.00 C ATOM 1589 OG1 THR A 102 -5.817 11.991 -1.495 1.00 0.00 O ATOM 1590 CG2 THR A 102 -4.601 10.088 -0.641 1.00 0.00 C ATOM 0 H THR A 102 -6.789 8.531 0.793 1.00 0.00 H new ATOM 0 HA THR A 102 -7.903 11.017 -0.226 1.00 0.00 H new ATOM 0 HB THR A 102 -5.581 11.588 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.965 12.471 -1.562 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.668 10.647 -0.721 1.00 0.00 H new ATOM 0 HG22 THR A 102 -4.538 9.394 0.197 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.769 9.530 -1.562 1.00 0.00 H new ATOM 1598 N HIS A 103 -7.959 9.996 -2.542 1.00 0.00 N ATOM 1599 CA HIS A 103 -8.212 9.282 -3.789 1.00 0.00 C ATOM 1600 C HIS A 103 -6.925 9.118 -4.591 1.00 0.00 C ATOM 1601 O HIS A 103 -6.311 10.101 -5.009 1.00 0.00 O ATOM 1602 CB HIS A 103 -9.256 10.024 -4.624 1.00 0.00 C ATOM 1603 CG HIS A 103 -9.001 11.496 -4.732 1.00 0.00 C ATOM 1604 ND1 HIS A 103 -8.054 12.036 -5.576 1.00 0.00 N ATOM 1605 CD2 HIS A 103 -9.576 12.543 -4.096 1.00 0.00 C ATOM 1606 CE1 HIS A 103 -8.057 13.351 -5.455 1.00 0.00 C ATOM 1607 NE2 HIS A 103 -8.972 13.685 -4.563 1.00 0.00 N ATOM 0 H HIS A 103 -8.341 10.941 -2.513 1.00 0.00 H new ATOM 0 HA HIS A 103 -8.594 8.292 -3.541 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.281 9.594 -5.625 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.241 9.866 -4.184 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -7.446 11.503 -6.197 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.363 12.491 -3.359 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -7.420 14.037 -5.994 1.00 0.00 H new ATOM 1616 N LEU A 104 -6.521 7.870 -4.803 1.00 0.00 N ATOM 1617 CA LEU A 104 -5.306 7.576 -5.556 1.00 0.00 C ATOM 1618 C LEU A 104 -5.174 8.503 -6.760 1.00 0.00 C ATOM 1619 O LEU A 104 -6.150 8.767 -7.462 1.00 0.00 O ATOM 1620 CB LEU A 104 -5.308 6.118 -6.018 1.00 0.00 C ATOM 1621 CG LEU A 104 -5.529 5.069 -4.928 1.00 0.00 C ATOM 1622 CD1 LEU A 104 -5.581 3.674 -5.532 1.00 0.00 C ATOM 1623 CD2 LEU A 104 -4.433 5.155 -3.875 1.00 0.00 C ATOM 0 H LEU A 104 -7.017 7.045 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.452 7.741 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -6.085 5.998 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -4.355 5.911 -6.506 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.486 5.270 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.739 2.941 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.401 3.618 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.640 3.462 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.606 4.401 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -3.464 4.980 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.443 6.145 -3.420 1.00 0.00 H new ATOM 1635 N GLN A 105 -3.960 8.992 -6.993 1.00 0.00 N ATOM 1636 CA GLN A 105 -3.700 9.888 -8.114 1.00 0.00 C ATOM 1637 C GLN A 105 -2.434 9.477 -8.858 1.00 0.00 C ATOM 1638 O GLN A 105 -2.481 9.130 -10.038 1.00 0.00 O ATOM 1639 CB GLN A 105 -3.571 11.331 -7.622 1.00 0.00 C ATOM 1640 CG GLN A 105 -4.904 11.980 -7.285 1.00 0.00 C ATOM 1641 CD GLN A 105 -4.769 13.456 -6.964 1.00 0.00 C ATOM 1642 OE1 GLN A 105 -4.980 14.312 -7.823 1.00 0.00 O ATOM 1643 NE2 GLN A 105 -4.415 13.761 -5.721 1.00 0.00 N ATOM 0 H GLN A 105 -3.142 8.783 -6.421 1.00 0.00 H new ATOM 0 HA GLN A 105 -4.542 9.820 -8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.934 11.349 -6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.071 11.924 -8.388 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.587 11.856 -8.125 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -5.349 11.466 -6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.250 13.019 -5.041 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.308 14.737 -5.446 1.00 0.00 H new ATOM 1652 N TYR A 106 -1.304 9.519 -8.161 1.00 0.00 N ATOM 1653 CA TYR A 106 -0.025 9.154 -8.756 1.00 0.00 C ATOM 1654 C TYR A 106 0.525 7.877 -8.126 1.00 0.00 C ATOM 1655 O TYR A 106 1.164 7.899 -7.074 1.00 0.00 O ATOM 1656 CB TYR A 106 0.983 10.292 -8.590 1.00 0.00 C ATOM 1657 CG TYR A 106 0.352 11.666 -8.605 1.00 0.00 C ATOM 1658 CD1 TYR A 106 -0.427 12.083 -9.677 1.00 0.00 C ATOM 1659 CD2 TYR A 106 0.534 12.547 -7.546 1.00 0.00 C ATOM 1660 CE1 TYR A 106 -1.005 13.338 -9.695 1.00 0.00 C ATOM 1661 CE2 TYR A 106 -0.041 13.803 -7.554 1.00 0.00 C ATOM 1662 CZ TYR A 106 -0.809 14.194 -8.631 1.00 0.00 C ATOM 1663 OH TYR A 106 -1.384 15.444 -8.645 1.00 0.00 O ATOM 0 H TYR A 106 -1.248 9.802 -7.183 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.187 8.973 -9.819 1.00 0.00 H new ATOM 0 HB2 TYR A 106 1.519 10.158 -7.650 1.00 0.00 H new ATOM 0 HB3 TYR A 106 1.722 10.232 -9.389 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.584 11.415 -10.511 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.136 12.244 -6.702 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -1.607 13.647 -10.537 1.00 0.00 H new ATOM 0 HE2 TYR A 106 0.110 14.475 -6.722 1.00 0.00 H new ATOM 0 HH TYR A 106 -1.150 15.921 -7.822 1.00 0.00 H new ATOM 1673 N PRO A 107 0.270 6.737 -8.785 1.00 0.00 N ATOM 1674 CA PRO A 107 0.731 5.429 -8.309 1.00 0.00 C ATOM 1675 C PRO A 107 2.243 5.271 -8.421 1.00 0.00 C ATOM 1676 O PRO A 107 2.755 4.796 -9.435 1.00 0.00 O ATOM 1677 CB PRO A 107 0.020 4.443 -9.240 1.00 0.00 C ATOM 1678 CG PRO A 107 -0.243 5.219 -10.484 1.00 0.00 C ATOM 1679 CD PRO A 107 -0.486 6.636 -10.044 1.00 0.00 C ATOM 0 HA PRO A 107 0.507 5.277 -7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.641 3.571 -9.442 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -0.907 4.079 -8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 107 0.605 5.162 -11.166 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -1.107 4.822 -11.016 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -0.131 7.353 -10.784 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -1.547 6.833 -9.892 1.00 0.00 H new ATOM 1687 N VAL A 108 2.955 5.672 -7.372 1.00 0.00 N ATOM 1688 CA VAL A 108 4.409 5.573 -7.352 1.00 0.00 C ATOM 1689 C VAL A 108 4.886 4.327 -8.090 1.00 0.00 C ATOM 1690 O VAL A 108 4.905 3.223 -7.546 1.00 0.00 O ATOM 1691 CB VAL A 108 4.950 5.541 -5.910 1.00 0.00 C ATOM 1692 CG1 VAL A 108 6.394 5.063 -5.892 1.00 0.00 C ATOM 1693 CG2 VAL A 108 4.826 6.913 -5.265 1.00 0.00 C ATOM 0 H VAL A 108 2.548 6.068 -6.525 1.00 0.00 H new ATOM 0 HA VAL A 108 4.793 6.460 -7.857 1.00 0.00 H new ATOM 0 HB VAL A 108 4.352 4.837 -5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.759 5.047 -4.865 1.00 0.00 H new ATOM 0 HG12 VAL A 108 6.450 4.059 -6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 108 7.009 5.740 -6.485 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.213 6.873 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 108 5.398 7.639 -5.842 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.778 7.212 -5.243 1.00 0.00 H new ATOM 1703 N PRO A 109 5.282 4.506 -9.359 1.00 0.00 N ATOM 1704 CA PRO A 109 5.767 3.407 -10.199 1.00 0.00 C ATOM 1705 C PRO A 109 7.127 2.887 -9.745 1.00 0.00 C ATOM 1706 O PRO A 109 7.641 3.293 -8.702 1.00 0.00 O ATOM 1707 CB PRO A 109 5.874 4.043 -11.588 1.00 0.00 C ATOM 1708 CG PRO A 109 6.061 5.497 -11.325 1.00 0.00 C ATOM 1709 CD PRO A 109 5.286 5.795 -10.071 1.00 0.00 C ATOM 0 HA PRO A 109 5.105 2.542 -10.161 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.713 3.631 -12.149 1.00 0.00 H new ATOM 0 HB3 PRO A 109 4.976 3.860 -12.178 1.00 0.00 H new ATOM 0 HG2 PRO A 109 7.116 5.738 -11.198 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.696 6.095 -12.160 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.762 6.579 -9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.274 6.134 -10.295 1.00 0.00 H new ATOM 1717 N LEU A 110 7.705 1.989 -10.534 1.00 0.00 N ATOM 1718 CA LEU A 110 9.007 1.413 -10.213 1.00 0.00 C ATOM 1719 C LEU A 110 10.133 2.372 -10.587 1.00 0.00 C ATOM 1720 O LEU A 110 9.939 3.290 -11.383 1.00 0.00 O ATOM 1721 CB LEU A 110 9.192 0.082 -10.943 1.00 0.00 C ATOM 1722 CG LEU A 110 8.030 -0.907 -10.840 1.00 0.00 C ATOM 1723 CD1 LEU A 110 8.404 -2.238 -11.474 1.00 0.00 C ATOM 1724 CD2 LEU A 110 7.624 -1.103 -9.386 1.00 0.00 C ATOM 0 H LEU A 110 7.293 1.643 -11.401 1.00 0.00 H new ATOM 0 HA LEU A 110 9.045 1.239 -9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 110 9.373 0.291 -11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 110 10.089 -0.401 -10.555 1.00 0.00 H new ATOM 0 HG LEU A 110 7.179 -0.496 -11.382 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.565 -2.929 -11.391 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.646 -2.085 -12.526 1.00 0.00 H new ATOM 0 HD13 LEU A 110 9.270 -2.655 -10.960 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.796 -1.810 -9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.471 -1.492 -8.821 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.314 -0.148 -8.963 1.00 0.00 H new