USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 768 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 Single : A 15 SER OG : rot 81:sc= 1.14 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 131:sc= 0.342 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.752 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 CYS SG : rot 23:sc= 0.67 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.1!) USER MOD Single : A 71 TYR OH : rot 120:sc= 0 USER MOD Single : A 73 HIS :FLIP no HE2:sc= 0.0747 F(o=-0.53,f=0.075) USER MOD Single : A 77 GLN : amide:sc= -0.884 K(o=-0.88,f=-4.6!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0269 X(o=-0.027,f=-0.22) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0566 X(o=-0.057,f=-0.012) USER MOD Single : A 92 HIS : no HD1:sc= -0.0163 X(o=-0.016,f=0) USER MOD Single : A 93 THR OG1 : rot 83:sc= 1.09 USER MOD Single : A 96 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.2) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -132:sc= -1.51 (180deg=-3.45) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 1.307 22.938 3.757 1.00 0.00 N ATOM 109 CA TRP A 11 0.795 21.613 3.426 1.00 0.00 C ATOM 110 C TRP A 11 1.430 20.547 4.312 1.00 0.00 C ATOM 111 O TRP A 11 2.649 20.374 4.315 1.00 0.00 O ATOM 112 CB TRP A 11 1.060 21.295 1.954 1.00 0.00 C ATOM 113 CG TRP A 11 0.070 20.335 1.366 1.00 0.00 C ATOM 114 CD1 TRP A 11 -0.822 19.558 2.048 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.126 20.050 -0.023 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.561 18.807 1.166 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.154 19.091 -0.111 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.465 20.513 -1.202 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.600 18.587 -1.330 1.00 0.00 C ATOM 120 CZ3 TRP A 11 0.022 20.012 -2.411 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.003 19.058 -2.468 1.00 0.00 C ATOM 0 HA TRP A 11 -0.281 21.612 3.603 1.00 0.00 H new ATOM 0 HB2 TRP A 11 1.041 22.222 1.380 1.00 0.00 H new ATOM 0 HB3 TRP A 11 2.062 20.879 1.854 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -0.931 19.537 3.122 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.294 18.145 1.421 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.254 21.250 -1.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.389 17.851 -1.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.473 20.362 -3.328 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.328 18.687 -3.429 1.00 0.00 H new ATOM 132 N VAL A 12 0.597 19.834 5.062 1.00 0.00 N ATOM 133 CA VAL A 12 1.078 18.783 5.952 1.00 0.00 C ATOM 134 C VAL A 12 1.523 17.557 5.163 1.00 0.00 C ATOM 135 O VAL A 12 2.525 16.922 5.494 1.00 0.00 O ATOM 136 CB VAL A 12 -0.006 18.364 6.963 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.304 18.025 6.245 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.473 17.187 7.799 1.00 0.00 C ATOM 0 H VAL A 12 -0.415 19.964 5.072 1.00 0.00 H new ATOM 0 HA VAL A 12 1.931 19.192 6.494 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.198 19.202 7.633 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.058 17.731 6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.654 18.898 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.132 17.203 5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.305 16.904 8.508 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.694 16.343 7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.374 17.470 8.343 1.00 0.00 H new ATOM 148 N LEU A 13 0.772 17.229 4.117 1.00 0.00 N ATOM 149 CA LEU A 13 1.090 16.078 3.279 1.00 0.00 C ATOM 150 C LEU A 13 2.597 15.934 3.098 1.00 0.00 C ATOM 151 O LEU A 13 3.195 14.917 3.450 1.00 0.00 O ATOM 152 CB LEU A 13 0.412 16.214 1.914 1.00 0.00 C ATOM 153 CG LEU A 13 1.169 15.618 0.726 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.129 14.099 0.775 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.589 16.127 -0.585 1.00 0.00 C ATOM 0 H LEU A 13 -0.061 17.743 3.829 1.00 0.00 H new ATOM 0 HA LEU A 13 0.716 15.183 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.568 15.741 1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.244 17.273 1.718 1.00 0.00 H new ATOM 0 HG LEU A 13 2.210 15.935 0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.673 13.693 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.592 13.752 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.093 13.761 0.739 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.140 15.693 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.460 15.840 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.671 17.213 -0.622 1.00 0.00 H new ATOM 167 N PRO A 14 3.229 16.977 2.539 1.00 0.00 N ATOM 168 CA PRO A 14 4.675 16.993 2.302 1.00 0.00 C ATOM 169 C PRO A 14 5.474 17.079 3.598 1.00 0.00 C ATOM 170 O PRO A 14 6.624 16.643 3.660 1.00 0.00 O ATOM 171 CB PRO A 14 4.884 18.254 1.461 1.00 0.00 C ATOM 172 CG PRO A 14 3.738 19.138 1.814 1.00 0.00 C ATOM 173 CD PRO A 14 2.579 18.222 2.095 1.00 0.00 C ATOM 0 HA PRO A 14 5.018 16.079 1.817 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.837 18.730 1.691 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.892 18.023 0.396 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.971 19.750 2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.506 19.821 0.997 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.922 18.629 2.864 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.968 18.062 1.206 1.00 0.00 H new ATOM 181 N SER A 15 4.857 17.643 4.632 1.00 0.00 N ATOM 182 CA SER A 15 5.513 17.789 5.926 1.00 0.00 C ATOM 183 C SER A 15 5.695 16.432 6.599 1.00 0.00 C ATOM 184 O SER A 15 6.649 16.222 7.347 1.00 0.00 O ATOM 185 CB SER A 15 4.698 18.714 6.832 1.00 0.00 C ATOM 186 OG SER A 15 4.581 20.008 6.267 1.00 0.00 O ATOM 0 H SER A 15 3.904 18.006 4.599 1.00 0.00 H new ATOM 0 HA SER A 15 6.497 18.228 5.760 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.706 18.292 6.990 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.174 18.783 7.810 1.00 0.00 H new ATOM 0 HG SER A 15 3.869 20.008 5.593 1.00 0.00 H new ATOM 192 N GLU A 16 4.773 15.514 6.326 1.00 0.00 N ATOM 193 CA GLU A 16 4.831 14.177 6.905 1.00 0.00 C ATOM 194 C GLU A 16 5.763 13.276 6.100 1.00 0.00 C ATOM 195 O GLU A 16 6.572 12.539 6.664 1.00 0.00 O ATOM 196 CB GLU A 16 3.432 13.560 6.963 1.00 0.00 C ATOM 197 CG GLU A 16 2.394 14.465 7.606 1.00 0.00 C ATOM 198 CD GLU A 16 2.706 14.771 9.058 1.00 0.00 C ATOM 199 OE1 GLU A 16 3.015 13.825 9.811 1.00 0.00 O ATOM 200 OE2 GLU A 16 2.641 15.958 9.441 1.00 0.00 O ATOM 0 H GLU A 16 3.977 15.672 5.708 1.00 0.00 H new ATOM 0 HA GLU A 16 5.223 14.265 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.110 13.314 5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.480 12.624 7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.335 15.399 7.046 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.414 13.992 7.541 1.00 0.00 H new ATOM 207 N VAL A 17 5.643 13.340 4.778 1.00 0.00 N ATOM 208 CA VAL A 17 6.474 12.531 3.895 1.00 0.00 C ATOM 209 C VAL A 17 7.956 12.754 4.177 1.00 0.00 C ATOM 210 O VAL A 17 8.756 11.821 4.119 1.00 0.00 O ATOM 211 CB VAL A 17 6.192 12.846 2.414 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.011 11.938 1.509 1.00 0.00 C ATOM 213 CG2 VAL A 17 4.706 12.712 2.115 1.00 0.00 C ATOM 0 H VAL A 17 4.978 13.944 4.295 1.00 0.00 H new ATOM 0 HA VAL A 17 6.222 11.489 4.092 1.00 0.00 H new ATOM 0 HB VAL A 17 6.488 13.876 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.798 12.175 0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.072 12.089 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.750 10.898 1.705 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.524 12.938 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.382 11.693 2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.145 13.409 2.738 1.00 0.00 H new ATOM 223 N GLU A 18 8.313 13.997 4.484 1.00 0.00 N ATOM 224 CA GLU A 18 9.700 14.342 4.775 1.00 0.00 C ATOM 225 C GLU A 18 10.252 13.473 5.901 1.00 0.00 C ATOM 226 O GLU A 18 11.433 13.124 5.910 1.00 0.00 O ATOM 227 CB GLU A 18 9.812 15.820 5.155 1.00 0.00 C ATOM 228 CG GLU A 18 9.655 16.765 3.976 1.00 0.00 C ATOM 229 CD GLU A 18 10.970 17.049 3.276 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.667 18.000 3.688 1.00 0.00 O ATOM 231 OE2 GLU A 18 11.302 16.321 2.318 1.00 0.00 O ATOM 0 H GLU A 18 7.662 14.781 4.538 1.00 0.00 H new ATOM 0 HA GLU A 18 10.289 14.159 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.052 16.053 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.781 15.994 5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.953 16.335 3.262 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.222 17.703 4.323 1.00 0.00 H new ATOM 238 N VAL A 19 9.389 13.127 6.851 1.00 0.00 N ATOM 239 CA VAL A 19 9.789 12.299 7.982 1.00 0.00 C ATOM 240 C VAL A 19 9.809 10.822 7.602 1.00 0.00 C ATOM 241 O VAL A 19 10.691 10.073 8.025 1.00 0.00 O ATOM 242 CB VAL A 19 8.844 12.495 9.183 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.237 11.573 10.328 1.00 0.00 C ATOM 244 CG2 VAL A 19 8.850 13.948 9.633 1.00 0.00 C ATOM 0 H VAL A 19 8.408 13.407 6.860 1.00 0.00 H new ATOM 0 HA VAL A 19 10.794 12.613 8.264 1.00 0.00 H new ATOM 0 HB VAL A 19 7.831 12.238 8.872 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.558 11.726 11.167 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.177 10.536 9.997 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.257 11.796 10.641 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.177 14.069 10.482 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.860 14.234 9.927 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.517 14.584 8.813 1.00 0.00 H new ATOM 254 N LEU A 20 8.833 10.410 6.801 1.00 0.00 N ATOM 255 CA LEU A 20 8.739 9.022 6.362 1.00 0.00 C ATOM 256 C LEU A 20 9.984 8.611 5.583 1.00 0.00 C ATOM 257 O LEU A 20 10.705 7.698 5.983 1.00 0.00 O ATOM 258 CB LEU A 20 7.493 8.824 5.497 1.00 0.00 C ATOM 259 CG LEU A 20 6.173 9.304 6.101 1.00 0.00 C ATOM 260 CD1 LEU A 20 5.092 9.373 5.034 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.744 8.389 7.239 1.00 0.00 C ATOM 0 H LEU A 20 8.096 11.017 6.442 1.00 0.00 H new ATOM 0 HA LEU A 20 8.663 8.391 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.646 9.343 4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.400 7.763 5.267 1.00 0.00 H new ATOM 0 HG LEU A 20 6.322 10.306 6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.160 9.716 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.397 10.069 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.944 8.383 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.803 8.745 7.657 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.612 7.375 6.861 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.509 8.390 8.015 1.00 0.00 H new ATOM 273 N GLU A 21 10.231 9.294 4.469 1.00 0.00 N ATOM 274 CA GLU A 21 11.390 9.001 3.635 1.00 0.00 C ATOM 275 C GLU A 21 12.597 8.629 4.492 1.00 0.00 C ATOM 276 O GLU A 21 13.256 7.618 4.249 1.00 0.00 O ATOM 277 CB GLU A 21 11.729 10.204 2.752 1.00 0.00 C ATOM 278 CG GLU A 21 10.793 10.372 1.567 1.00 0.00 C ATOM 279 CD GLU A 21 11.417 11.173 0.441 1.00 0.00 C ATOM 280 OE1 GLU A 21 12.591 10.911 0.107 1.00 0.00 O ATOM 281 OE2 GLU A 21 10.731 12.062 -0.106 1.00 0.00 O ATOM 0 H GLU A 21 9.644 10.053 4.124 1.00 0.00 H new ATOM 0 HA GLU A 21 11.142 8.151 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.700 11.109 3.359 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.750 10.099 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.506 9.389 1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.880 10.867 1.897 1.00 0.00 H new ATOM 288 N SER A 22 12.880 9.453 5.495 1.00 0.00 N ATOM 289 CA SER A 22 14.009 9.214 6.386 1.00 0.00 C ATOM 290 C SER A 22 14.015 7.771 6.881 1.00 0.00 C ATOM 291 O SER A 22 15.062 7.126 6.932 1.00 0.00 O ATOM 292 CB SER A 22 13.959 10.173 7.577 1.00 0.00 C ATOM 293 OG SER A 22 14.843 9.759 8.604 1.00 0.00 O ATOM 0 H SER A 22 12.343 10.293 5.711 1.00 0.00 H new ATOM 0 HA SER A 22 14.926 9.391 5.824 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.223 11.178 7.249 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.942 10.221 7.966 1.00 0.00 H new ATOM 0 HG SER A 22 14.793 10.390 9.353 1.00 0.00 H new ATOM 299 N ILE A 23 12.838 7.272 7.243 1.00 0.00 N ATOM 300 CA ILE A 23 12.707 5.906 7.733 1.00 0.00 C ATOM 301 C ILE A 23 12.569 4.919 6.578 1.00 0.00 C ATOM 302 O ILE A 23 13.340 3.966 6.467 1.00 0.00 O ATOM 303 CB ILE A 23 11.492 5.757 8.668 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.623 6.702 9.865 1.00 0.00 C ATOM 305 CG2 ILE A 23 11.358 4.316 9.136 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.298 7.061 10.499 1.00 0.00 C ATOM 0 H ILE A 23 11.962 7.793 7.206 1.00 0.00 H new ATOM 0 HA ILE A 23 13.615 5.683 8.293 1.00 0.00 H new ATOM 0 HB ILE A 23 10.591 6.024 8.115 1.00 0.00 H new ATOM 0 HG12 ILE A 23 12.262 6.238 10.616 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.122 7.616 9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.495 4.227 9.796 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.224 3.664 8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.259 4.023 9.675 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.467 7.733 11.340 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.664 7.554 9.762 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.806 6.155 10.852 1.00 0.00 H new ATOM 318 N TYR A 24 11.583 5.155 5.720 1.00 0.00 N ATOM 319 CA TYR A 24 11.344 4.287 4.573 1.00 0.00 C ATOM 320 C TYR A 24 12.024 4.836 3.323 1.00 0.00 C ATOM 321 O TYR A 24 11.428 4.881 2.246 1.00 0.00 O ATOM 322 CB TYR A 24 9.842 4.137 4.326 1.00 0.00 C ATOM 323 CG TYR A 24 9.045 3.865 5.583 1.00 0.00 C ATOM 324 CD1 TYR A 24 9.500 2.962 6.536 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.839 4.513 5.817 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.775 2.711 7.684 1.00 0.00 C ATOM 327 CE2 TYR A 24 7.108 4.270 6.963 1.00 0.00 C ATOM 328 CZ TYR A 24 7.580 3.367 7.894 1.00 0.00 C ATOM 329 OH TYR A 24 6.855 3.121 9.038 1.00 0.00 O ATOM 0 H TYR A 24 10.936 5.940 5.797 1.00 0.00 H new ATOM 0 HA TYR A 24 11.769 3.308 4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.467 5.047 3.858 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.678 3.324 3.619 1.00 0.00 H new ATOM 0 HD1 TYR A 24 10.436 2.448 6.376 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.466 5.219 5.090 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.142 2.005 8.414 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.173 4.783 7.130 1.00 0.00 H new ATOM 0 HH TYR A 24 6.599 3.971 9.452 1.00 0.00 H new ATOM 339 N LEU A 25 13.276 5.252 3.474 1.00 0.00 N ATOM 340 CA LEU A 25 14.041 5.798 2.357 1.00 0.00 C ATOM 341 C LEU A 25 13.693 5.081 1.057 1.00 0.00 C ATOM 342 O LEU A 25 13.196 5.693 0.112 1.00 0.00 O ATOM 343 CB LEU A 25 15.540 5.679 2.634 1.00 0.00 C ATOM 344 CG LEU A 25 16.170 6.826 3.425 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.606 6.491 3.799 1.00 0.00 C ATOM 346 CD2 LEU A 25 16.113 8.120 2.627 1.00 0.00 C ATOM 0 H LEU A 25 13.784 5.222 4.358 1.00 0.00 H new ATOM 0 HA LEU A 25 13.781 6.851 2.250 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.716 4.750 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.060 5.594 1.680 1.00 0.00 H new ATOM 0 HG LEU A 25 15.599 6.964 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 25 18.038 7.319 4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.622 5.589 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 25 18.189 6.325 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.566 8.925 3.206 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.658 7.995 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 25 15.074 8.369 2.411 1.00 0.00 H new ATOM 358 N ASP A 26 13.956 3.779 1.017 1.00 0.00 N ATOM 359 CA ASP A 26 13.668 2.977 -0.166 1.00 0.00 C ATOM 360 C ASP A 26 12.283 2.345 -0.070 1.00 0.00 C ATOM 361 O ASP A 26 11.437 2.547 -0.941 1.00 0.00 O ATOM 362 CB ASP A 26 14.728 1.888 -0.340 1.00 0.00 C ATOM 363 CG ASP A 26 14.651 1.217 -1.697 1.00 0.00 C ATOM 364 OD1 ASP A 26 14.323 1.909 -2.684 1.00 0.00 O ATOM 365 OD2 ASP A 26 14.917 -0.001 -1.773 1.00 0.00 O ATOM 0 H ASP A 26 14.368 3.257 1.790 1.00 0.00 H new ATOM 0 HA ASP A 26 13.688 3.635 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.718 2.325 -0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.605 1.137 0.441 1.00 0.00 H new ATOM 370 N GLU A 27 12.060 1.578 0.993 1.00 0.00 N ATOM 371 CA GLU A 27 10.778 0.915 1.200 1.00 0.00 C ATOM 372 C GLU A 27 9.627 1.793 0.715 1.00 0.00 C ATOM 373 O GLU A 27 8.602 1.292 0.252 1.00 0.00 O ATOM 374 CB GLU A 27 10.587 0.577 2.680 1.00 0.00 C ATOM 375 CG GLU A 27 11.726 -0.238 3.270 1.00 0.00 C ATOM 376 CD GLU A 27 11.465 -0.652 4.705 1.00 0.00 C ATOM 377 OE1 GLU A 27 10.458 -1.350 4.946 1.00 0.00 O ATOM 378 OE2 GLU A 27 12.267 -0.279 5.586 1.00 0.00 O ATOM 0 H GLU A 27 12.750 1.401 1.723 1.00 0.00 H new ATOM 0 HA GLU A 27 10.777 -0.008 0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.483 1.503 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.655 0.024 2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.883 -1.129 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.646 0.345 3.226 1.00 0.00 H new ATOM 385 N LEU A 28 9.804 3.105 0.826 1.00 0.00 N ATOM 386 CA LEU A 28 8.781 4.054 0.400 1.00 0.00 C ATOM 387 C LEU A 28 9.262 4.874 -0.792 1.00 0.00 C ATOM 388 O LEU A 28 10.461 5.094 -0.962 1.00 0.00 O ATOM 389 CB LEU A 28 8.407 4.983 1.556 1.00 0.00 C ATOM 390 CG LEU A 28 7.234 5.931 1.302 1.00 0.00 C ATOM 391 CD1 LEU A 28 7.634 7.025 0.323 1.00 0.00 C ATOM 392 CD2 LEU A 28 6.029 5.162 0.781 1.00 0.00 C ATOM 0 H LEU A 28 10.646 3.536 1.207 1.00 0.00 H new ATOM 0 HA LEU A 28 7.900 3.489 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.171 4.371 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 28 9.282 5.580 1.814 1.00 0.00 H new ATOM 0 HG LEU A 28 6.960 6.399 2.247 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.787 7.690 0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.467 7.595 0.735 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.936 6.575 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.204 5.853 0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.291 4.665 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.728 4.416 1.516 1.00 0.00 H new ATOM 404 N GLN A 29 8.319 5.326 -1.612 1.00 0.00 N ATOM 405 CA GLN A 29 8.648 6.124 -2.787 1.00 0.00 C ATOM 406 C GLN A 29 7.670 7.283 -2.949 1.00 0.00 C ATOM 407 O GLN A 29 6.454 7.089 -2.943 1.00 0.00 O ATOM 408 CB GLN A 29 8.634 5.251 -4.043 1.00 0.00 C ATOM 409 CG GLN A 29 9.839 4.330 -4.157 1.00 0.00 C ATOM 410 CD GLN A 29 9.697 3.321 -5.279 1.00 0.00 C ATOM 411 OE1 GLN A 29 9.245 2.196 -5.064 1.00 0.00 O ATOM 412 NE2 GLN A 29 10.085 3.718 -6.485 1.00 0.00 N ATOM 0 H GLN A 29 7.322 5.153 -1.485 1.00 0.00 H new ATOM 0 HA GLN A 29 9.649 6.533 -2.648 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.725 4.649 -4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.594 5.894 -4.922 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.735 4.929 -4.323 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.979 3.802 -3.214 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.454 4.660 -6.618 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.014 3.081 -7.279 1.00 0.00 H new ATOM 421 N VAL A 30 8.208 8.490 -3.094 1.00 0.00 N ATOM 422 CA VAL A 30 7.383 9.681 -3.258 1.00 0.00 C ATOM 423 C VAL A 30 7.739 10.423 -4.541 1.00 0.00 C ATOM 424 O VAL A 30 8.914 10.573 -4.878 1.00 0.00 O ATOM 425 CB VAL A 30 7.539 10.640 -2.063 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.776 11.933 -2.313 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.068 9.973 -0.780 1.00 0.00 C ATOM 0 H VAL A 30 9.212 8.669 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 30 6.348 9.345 -3.312 1.00 0.00 H new ATOM 0 HB VAL A 30 8.595 10.885 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.898 12.598 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.165 12.418 -3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.718 11.710 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.185 10.665 0.054 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.018 9.697 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.663 9.078 -0.596 1.00 0.00 H new ATOM 437 N ILE A 31 6.717 10.885 -5.253 1.00 0.00 N ATOM 438 CA ILE A 31 6.921 11.613 -6.499 1.00 0.00 C ATOM 439 C ILE A 31 6.465 13.063 -6.370 1.00 0.00 C ATOM 440 O ILE A 31 5.276 13.363 -6.474 1.00 0.00 O ATOM 441 CB ILE A 31 6.168 10.952 -7.668 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.577 9.484 -7.802 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.436 11.703 -8.964 1.00 0.00 C ATOM 444 CD1 ILE A 31 5.741 8.544 -6.962 1.00 0.00 C ATOM 0 H ILE A 31 5.739 10.768 -4.988 1.00 0.00 H new ATOM 0 HA ILE A 31 7.991 11.588 -6.707 1.00 0.00 H new ATOM 0 HB ILE A 31 5.099 10.994 -7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.501 9.188 -8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.624 9.380 -7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.897 11.223 -9.781 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.099 12.735 -8.863 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.505 11.690 -9.178 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.087 7.521 -7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.836 8.814 -5.910 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.696 8.619 -7.263 1.00 0.00 H new ATOM 569 N TRP A 40 -0.422 14.431 -5.420 1.00 0.00 N ATOM 570 CA TRP A 40 0.831 13.767 -5.076 1.00 0.00 C ATOM 571 C TRP A 40 0.697 12.253 -5.204 1.00 0.00 C ATOM 572 O TRP A 40 -0.385 11.699 -5.012 1.00 0.00 O ATOM 573 CB TRP A 40 1.253 14.136 -3.653 1.00 0.00 C ATOM 574 CG TRP A 40 1.994 15.436 -3.572 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.674 16.603 -4.204 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.181 15.700 -2.816 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.590 17.577 -3.887 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.524 17.048 -3.037 1.00 0.00 C ATOM 579 CE3 TRP A 40 3.987 14.929 -1.973 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.638 17.639 -2.445 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.092 15.517 -1.387 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.409 16.861 -1.625 1.00 0.00 C ATOM 0 HA TRP A 40 1.597 14.105 -5.774 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.366 14.191 -3.021 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.882 13.342 -3.251 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.825 16.741 -4.857 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.576 18.538 -4.229 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.750 13.892 -1.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.884 18.675 -2.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.722 14.931 -0.735 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.279 17.291 -1.152 1.00 0.00 H new ATOM 593 N GLU A 41 1.803 11.591 -5.527 1.00 0.00 N ATOM 594 CA GLU A 41 1.807 10.141 -5.680 1.00 0.00 C ATOM 595 C GLU A 41 2.788 9.493 -4.707 1.00 0.00 C ATOM 596 O GLU A 41 3.844 10.053 -4.410 1.00 0.00 O ATOM 597 CB GLU A 41 2.170 9.758 -7.117 1.00 0.00 C ATOM 598 CG GLU A 41 1.527 8.462 -7.582 1.00 0.00 C ATOM 599 CD GLU A 41 0.163 8.680 -8.208 1.00 0.00 C ATOM 600 OE1 GLU A 41 -0.210 9.851 -8.428 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.531 7.677 -8.479 1.00 0.00 O ATOM 0 H GLU A 41 2.707 12.035 -5.688 1.00 0.00 H new ATOM 0 HA GLU A 41 0.805 9.776 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.869 10.564 -7.786 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.253 9.666 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.181 7.975 -8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.429 7.784 -6.734 1.00 0.00 H new ATOM 608 N ILE A 42 2.430 8.312 -4.214 1.00 0.00 N ATOM 609 CA ILE A 42 3.278 7.589 -3.275 1.00 0.00 C ATOM 610 C ILE A 42 3.172 6.082 -3.487 1.00 0.00 C ATOM 611 O ILE A 42 2.075 5.524 -3.512 1.00 0.00 O ATOM 612 CB ILE A 42 2.911 7.918 -1.816 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.112 9.409 -1.540 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.744 7.080 -0.858 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.354 9.907 -0.330 1.00 0.00 C ATOM 0 H ILE A 42 1.559 7.836 -4.449 1.00 0.00 H new ATOM 0 HA ILE A 42 4.303 7.909 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 42 1.860 7.677 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.175 9.604 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.798 9.978 -2.415 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.473 7.324 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.555 6.022 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.802 7.292 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.543 10.972 -0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.286 9.744 -0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.685 9.364 0.555 1.00 0.00 H new ATOM 627 N TYR A 43 4.320 5.430 -3.636 1.00 0.00 N ATOM 628 CA TYR A 43 4.357 3.987 -3.847 1.00 0.00 C ATOM 629 C TYR A 43 5.031 3.283 -2.673 1.00 0.00 C ATOM 630 O TYR A 43 5.767 3.901 -1.904 1.00 0.00 O ATOM 631 CB TYR A 43 5.095 3.659 -5.145 1.00 0.00 C ATOM 632 CG TYR A 43 4.565 4.406 -6.348 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.289 4.156 -6.839 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.340 5.360 -6.996 1.00 0.00 C ATOM 635 CE1 TYR A 43 2.801 4.836 -7.938 1.00 0.00 C ATOM 636 CE2 TYR A 43 4.860 6.045 -8.095 1.00 0.00 C ATOM 637 CZ TYR A 43 3.590 5.779 -8.562 1.00 0.00 C ATOM 638 OH TYR A 43 3.108 6.458 -9.658 1.00 0.00 O ATOM 0 H TYR A 43 5.237 5.877 -3.615 1.00 0.00 H new ATOM 0 HA TYR A 43 3.330 3.629 -3.921 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.153 3.891 -5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.024 2.588 -5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.668 3.418 -6.353 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.336 5.570 -6.634 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.807 4.630 -8.306 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.475 6.784 -8.586 1.00 0.00 H new ATOM 0 HH TYR A 43 3.788 7.087 -9.978 1.00 0.00 H new ATOM 648 N ILE A 44 4.774 1.986 -2.543 1.00 0.00 N ATOM 649 CA ILE A 44 5.356 1.196 -1.466 1.00 0.00 C ATOM 650 C ILE A 44 5.138 -0.295 -1.697 1.00 0.00 C ATOM 651 O ILE A 44 4.093 -0.712 -2.199 1.00 0.00 O ATOM 652 CB ILE A 44 4.762 1.584 -0.099 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.509 0.868 1.028 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.278 1.251 -0.053 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.520 1.638 2.330 1.00 0.00 C ATOM 0 H ILE A 44 4.166 1.460 -3.171 1.00 0.00 H new ATOM 0 HA ILE A 44 6.425 1.408 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 44 4.878 2.659 0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.050 -0.106 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.537 0.687 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.872 1.531 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.757 1.802 -0.836 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.140 0.181 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.067 1.071 3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.006 2.602 2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.496 1.797 2.668 1.00 0.00 H new ATOM 667 N THR A 45 6.132 -1.098 -1.328 1.00 0.00 N ATOM 668 CA THR A 45 6.049 -2.543 -1.494 1.00 0.00 C ATOM 669 C THR A 45 5.855 -3.241 -0.153 1.00 0.00 C ATOM 670 O THR A 45 6.590 -2.987 0.803 1.00 0.00 O ATOM 671 CB THR A 45 7.313 -3.103 -2.173 1.00 0.00 C ATOM 672 OG1 THR A 45 7.551 -2.418 -3.407 1.00 0.00 O ATOM 673 CG2 THR A 45 7.171 -4.595 -2.435 1.00 0.00 C ATOM 0 H THR A 45 7.004 -0.771 -0.912 1.00 0.00 H new ATOM 0 HA THR A 45 5.186 -2.739 -2.130 1.00 0.00 H new ATOM 0 HB THR A 45 8.158 -2.947 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.357 -2.779 -3.831 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.076 -4.968 -2.915 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.020 -5.117 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.316 -4.770 -3.088 1.00 0.00 H new ATOM 681 N LEU A 46 4.862 -4.121 -0.087 1.00 0.00 N ATOM 682 CA LEU A 46 4.572 -4.857 1.138 1.00 0.00 C ATOM 683 C LEU A 46 4.359 -6.339 0.846 1.00 0.00 C ATOM 684 O LEU A 46 3.784 -6.703 -0.180 1.00 0.00 O ATOM 685 CB LEU A 46 3.333 -4.277 1.823 1.00 0.00 C ATOM 686 CG LEU A 46 3.381 -2.783 2.144 1.00 0.00 C ATOM 687 CD1 LEU A 46 1.977 -2.235 2.349 1.00 0.00 C ATOM 688 CD2 LEU A 46 4.240 -2.529 3.375 1.00 0.00 C ATOM 0 H LEU A 46 4.244 -4.342 -0.868 1.00 0.00 H new ATOM 0 HA LEU A 46 5.429 -4.757 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.469 -4.464 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.167 -4.823 2.752 1.00 0.00 H new ATOM 0 HG LEU A 46 3.831 -2.264 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.032 -1.170 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.393 -2.382 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.499 -2.759 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.263 -1.460 3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.819 -3.061 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.254 -2.884 3.191 1.00 0.00 H new ATOM 700 N HIS A 47 4.823 -7.189 1.756 1.00 0.00 N ATOM 701 CA HIS A 47 4.680 -8.632 1.597 1.00 0.00 C ATOM 702 C HIS A 47 4.102 -9.263 2.860 1.00 0.00 C ATOM 703 O HIS A 47 4.412 -8.862 3.982 1.00 0.00 O ATOM 704 CB HIS A 47 6.032 -9.266 1.269 1.00 0.00 C ATOM 705 CG HIS A 47 7.133 -8.841 2.192 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.492 -9.555 3.315 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.957 -7.768 2.151 1.00 0.00 C ATOM 708 CE1 HIS A 47 8.488 -8.939 3.927 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.789 -7.852 3.240 1.00 0.00 N ATOM 0 H HIS A 47 5.301 -6.904 2.611 1.00 0.00 H new ATOM 0 HA HIS A 47 3.991 -8.816 0.772 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.934 -10.351 1.309 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.307 -9.008 0.246 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.960 -6.991 1.401 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.973 -9.268 4.834 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.521 -7.183 3.480 1.00 0.00 H new ATOM 871 N VAL A 59 4.191 -13.831 -3.312 1.00 0.00 N ATOM 872 CA VAL A 59 3.014 -12.981 -3.179 1.00 0.00 C ATOM 873 C VAL A 59 3.399 -11.577 -2.727 1.00 0.00 C ATOM 874 O VAL A 59 4.176 -11.408 -1.786 1.00 0.00 O ATOM 875 CB VAL A 59 2.004 -13.572 -2.177 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.685 -13.882 -0.853 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.835 -12.620 -1.975 1.00 0.00 C ATOM 0 HA VAL A 59 2.549 -12.929 -4.163 1.00 0.00 H new ATOM 0 HB VAL A 59 1.616 -14.505 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.956 -14.299 -0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.485 -14.604 -1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.102 -12.966 -0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.131 -13.053 -1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.202 -11.670 -1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.332 -12.454 -2.928 1.00 0.00 H new ATOM 887 N CYS A 60 2.852 -10.573 -3.402 1.00 0.00 N ATOM 888 CA CYS A 60 3.138 -9.181 -3.070 1.00 0.00 C ATOM 889 C CYS A 60 2.271 -8.236 -3.895 1.00 0.00 C ATOM 890 O CYS A 60 1.696 -8.630 -4.910 1.00 0.00 O ATOM 891 CB CYS A 60 4.617 -8.873 -3.305 1.00 0.00 C ATOM 892 SG CYS A 60 5.188 -7.348 -2.520 1.00 0.00 S ATOM 0 H CYS A 60 2.208 -10.696 -4.183 1.00 0.00 H new ATOM 0 HA CYS A 60 2.906 -9.029 -2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.214 -9.706 -2.933 1.00 0.00 H new ATOM 0 HB3 CYS A 60 4.797 -8.806 -4.378 1.00 0.00 H new ATOM 0 HG CYS A 60 4.407 -7.054 -1.523 1.00 0.00 H new ATOM 898 N PHE A 61 2.181 -6.986 -3.452 1.00 0.00 N ATOM 899 CA PHE A 61 1.382 -5.984 -4.148 1.00 0.00 C ATOM 900 C PHE A 61 1.890 -4.578 -3.846 1.00 0.00 C ATOM 901 O PHE A 61 2.339 -4.292 -2.735 1.00 0.00 O ATOM 902 CB PHE A 61 -0.089 -6.105 -3.746 1.00 0.00 C ATOM 903 CG PHE A 61 -0.422 -5.391 -2.467 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.700 -4.034 -2.468 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.457 -6.077 -1.264 1.00 0.00 C ATOM 906 CE1 PHE A 61 -1.005 -3.374 -1.293 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.762 -5.423 -0.085 1.00 0.00 C ATOM 908 CZ PHE A 61 -1.037 -4.069 -0.100 1.00 0.00 C ATOM 0 H PHE A 61 2.651 -6.643 -2.614 1.00 0.00 H new ATOM 0 HA PHE A 61 1.474 -6.162 -5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.710 -5.706 -4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.343 -7.160 -3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.678 -3.485 -3.398 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.243 -7.136 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.218 -2.315 -1.308 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.785 -5.969 0.846 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.276 -3.555 0.819 1.00 0.00 H new ATOM 918 N THR A 62 1.816 -3.701 -4.843 1.00 0.00 N ATOM 919 CA THR A 62 2.269 -2.325 -4.685 1.00 0.00 C ATOM 920 C THR A 62 1.132 -1.421 -4.225 1.00 0.00 C ATOM 921 O THR A 62 0.121 -1.276 -4.915 1.00 0.00 O ATOM 922 CB THR A 62 2.850 -1.771 -6.000 1.00 0.00 C ATOM 923 OG1 THR A 62 3.979 -2.553 -6.405 1.00 0.00 O ATOM 924 CG2 THR A 62 3.265 -0.317 -5.838 1.00 0.00 C ATOM 0 H THR A 62 1.447 -3.920 -5.768 1.00 0.00 H new ATOM 0 HA THR A 62 3.051 -2.335 -3.926 1.00 0.00 H new ATOM 0 HB THR A 62 2.076 -1.828 -6.766 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.341 -2.195 -7.242 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.672 0.052 -6.779 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.397 0.280 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.024 -0.240 -5.059 1.00 0.00 H new ATOM 932 N LEU A 63 1.301 -0.813 -3.056 1.00 0.00 N ATOM 933 CA LEU A 63 0.288 0.079 -2.503 1.00 0.00 C ATOM 934 C LEU A 63 0.491 1.507 -2.998 1.00 0.00 C ATOM 935 O LEU A 63 1.443 2.183 -2.605 1.00 0.00 O ATOM 936 CB LEU A 63 0.331 0.047 -0.974 1.00 0.00 C ATOM 937 CG LEU A 63 -1.003 0.264 -0.260 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.817 0.207 1.248 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.619 1.593 -0.673 1.00 0.00 C ATOM 0 H LEU A 63 2.131 -0.922 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.689 -0.268 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.735 -0.916 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.030 0.811 -0.634 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.684 -0.536 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.777 0.364 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.420 -0.769 1.529 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.120 0.985 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.568 1.731 -0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.941 2.405 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.789 1.596 -1.750 1.00 0.00 H new ATOM 951 N VAL A 64 -0.411 1.962 -3.862 1.00 0.00 N ATOM 952 CA VAL A 64 -0.333 3.312 -4.409 1.00 0.00 C ATOM 953 C VAL A 64 -1.247 4.266 -3.649 1.00 0.00 C ATOM 954 O VAL A 64 -2.377 3.919 -3.305 1.00 0.00 O ATOM 955 CB VAL A 64 -0.711 3.335 -5.902 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.467 4.715 -6.494 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.066 2.273 -6.665 1.00 0.00 C ATOM 0 H VAL A 64 -1.204 1.416 -4.198 1.00 0.00 H new ATOM 0 HA VAL A 64 0.701 3.639 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.774 3.110 -5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.740 4.712 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.073 5.450 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.587 4.973 -6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.214 2.304 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.135 2.464 -6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.165 1.289 -6.257 1.00 0.00 H new ATOM 967 N LEU A 65 -0.750 5.471 -3.390 1.00 0.00 N ATOM 968 CA LEU A 65 -1.523 6.478 -2.671 1.00 0.00 C ATOM 969 C LEU A 65 -1.459 7.825 -3.384 1.00 0.00 C ATOM 970 O LEU A 65 -0.394 8.433 -3.485 1.00 0.00 O ATOM 971 CB LEU A 65 -1.004 6.620 -1.239 1.00 0.00 C ATOM 972 CG LEU A 65 -0.922 5.330 -0.423 1.00 0.00 C ATOM 973 CD1 LEU A 65 0.120 5.459 0.677 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.281 4.983 0.165 1.00 0.00 C ATOM 0 H LEU A 65 0.184 5.774 -3.667 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.563 6.152 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.010 7.066 -1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.648 7.321 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.620 4.521 -1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.164 4.531 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.095 5.659 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.151 6.280 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.203 4.062 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.613 5.792 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.002 4.846 -0.641 1.00 0.00 H new ATOM 986 N GLN A 66 -2.606 8.285 -3.873 1.00 0.00 N ATOM 987 CA GLN A 66 -2.679 9.561 -4.574 1.00 0.00 C ATOM 988 C GLN A 66 -3.286 10.639 -3.682 1.00 0.00 C ATOM 989 O GLN A 66 -4.507 10.770 -3.592 1.00 0.00 O ATOM 990 CB GLN A 66 -3.505 9.417 -5.854 1.00 0.00 C ATOM 991 CG GLN A 66 -2.677 9.047 -7.074 1.00 0.00 C ATOM 992 CD GLN A 66 -3.520 8.491 -8.204 1.00 0.00 C ATOM 993 OE1 GLN A 66 -4.717 8.253 -8.042 1.00 0.00 O ATOM 994 NE2 GLN A 66 -2.898 8.280 -9.358 1.00 0.00 N ATOM 0 H GLN A 66 -3.497 7.794 -3.797 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.664 9.861 -4.836 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.269 8.655 -5.699 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.025 10.355 -6.049 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.141 9.929 -7.425 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -1.926 8.310 -6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.904 8.492 -9.448 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -3.414 7.906 -10.155 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.426 11.409 -3.023 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.877 12.476 -2.138 1.00 0.00 C ATOM 1005 C VAL A 67 -3.290 13.710 -2.931 1.00 0.00 C ATOM 1006 O VAL A 67 -2.469 14.378 -3.560 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.782 12.870 -1.130 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.340 13.814 -0.076 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.182 11.630 -0.483 1.00 0.00 C ATOM 0 H VAL A 67 -1.412 11.314 -3.086 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.740 12.092 -1.594 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.990 13.391 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.551 14.081 0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.717 14.716 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.152 13.322 0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.410 11.927 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.963 11.079 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.743 10.995 -1.252 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.594 14.023 -2.903 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.147 15.180 -3.614 1.00 0.00 C ATOM 1021 C PRO A 68 -4.716 16.503 -2.991 1.00 0.00 C ATOM 1022 O PRO A 68 -4.047 16.524 -1.958 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.660 14.991 -3.477 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.829 14.176 -2.242 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.630 13.271 -2.175 1.00 0.00 C ATOM 0 HA PRO A 68 -4.802 15.227 -4.647 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.173 15.949 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.076 14.483 -4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.887 14.813 -1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.752 13.598 -2.279 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.333 13.072 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.828 12.306 -2.641 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.104 17.604 -3.625 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.760 18.932 -3.130 1.00 0.00 C ATOM 1035 C ALA A 69 -5.488 19.237 -1.825 1.00 0.00 C ATOM 1036 O ALA A 69 -4.883 19.710 -0.864 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.086 19.986 -4.177 1.00 0.00 C ATOM 0 H ALA A 69 -5.657 17.603 -4.482 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.688 18.952 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.824 20.972 -3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.516 19.786 -5.084 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.152 19.956 -4.404 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.789 18.963 -1.800 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.598 19.211 -0.612 1.00 0.00 C ATOM 1045 C GLU A 70 -6.930 18.632 0.631 1.00 0.00 C ATOM 1046 O GLU A 70 -6.919 19.258 1.692 1.00 0.00 O ATOM 1047 CB GLU A 70 -8.993 18.607 -0.784 1.00 0.00 C ATOM 1048 CG GLU A 70 -9.987 19.547 -1.445 1.00 0.00 C ATOM 1049 CD GLU A 70 -11.167 18.815 -2.053 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -12.122 18.508 -1.308 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -11.136 18.548 -3.272 1.00 0.00 O ATOM 0 H GLU A 70 -7.304 18.570 -2.588 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.690 20.290 -0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.915 17.697 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.376 18.316 0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.349 20.263 -0.708 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.479 20.119 -2.222 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.374 17.433 0.493 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.707 16.768 1.606 1.00 0.00 C ATOM 1060 C TYR A 71 -5.066 17.785 2.545 1.00 0.00 C ATOM 1061 O TYR A 71 -4.509 18.797 2.118 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.645 15.799 1.084 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.818 15.161 2.178 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.949 15.920 2.952 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -3.906 13.798 2.437 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.192 15.341 3.952 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.153 13.211 3.436 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.297 13.986 4.190 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.545 13.406 5.185 1.00 0.00 O ATOM 0 H TYR A 71 -6.372 16.902 -0.378 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.458 16.209 2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.133 15.015 0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.982 16.332 0.403 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.864 16.981 2.769 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.574 13.188 1.848 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.521 15.946 4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.234 12.151 3.625 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.139 12.995 5.847 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.147 17.512 3.855 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.808 16.312 4.375 1.00 0.00 C ATOM 1081 C PRO A 72 -7.321 16.359 4.192 1.00 0.00 C ATOM 1082 O PRO A 72 -7.989 15.324 4.188 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.449 16.324 5.862 1.00 0.00 C ATOM 1084 CG PRO A 72 -5.190 17.756 6.178 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.598 18.354 4.931 1.00 0.00 C ATOM 0 HA PRO A 72 -5.486 15.411 3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.262 15.926 6.469 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.571 15.709 6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.112 18.267 6.457 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.505 17.852 7.020 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.886 19.398 4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.509 18.324 4.949 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.857 17.566 4.040 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.293 17.747 3.855 1.00 0.00 C ATOM 1095 C HIS A 73 -9.896 16.571 3.094 1.00 0.00 C ATOM 1096 O HIS A 73 -10.991 16.110 3.412 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.571 19.051 3.106 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.130 20.274 3.849 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -8.121 21.143 3.604 1.00 0.00 N flip ATOM 1100 CD2 HIS A 73 -9.752 20.724 4.995 1.00 0.00 C flip ATOM 1101 CE1 HIS A 73 -8.152 22.093 4.596 1.00 0.00 C flip ATOM 1102 NE2 HIS A 73 -9.145 21.817 5.422 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.319 18.433 4.041 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.758 17.796 4.840 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.066 19.021 2.141 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.640 19.124 2.905 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -7.461 21.100 2.828 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -10.602 20.256 5.469 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.475 22.929 4.686 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.173 16.091 2.086 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.638 14.969 1.280 1.00 0.00 C ATOM 1113 C GLU A 74 -8.725 13.759 1.451 1.00 0.00 C ATOM 1114 O GLU A 74 -7.500 13.886 1.445 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.705 15.367 -0.196 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.752 14.600 -0.987 1.00 0.00 C ATOM 1117 CD GLU A 74 -10.972 13.197 -0.456 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -11.683 13.051 0.560 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -10.433 12.245 -1.058 1.00 0.00 O ATOM 0 H GLU A 74 -8.264 16.462 1.809 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.637 14.699 1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.918 16.434 -0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.728 15.206 -0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.695 15.147 -0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.445 14.545 -2.031 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.329 12.585 1.604 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.571 11.352 1.777 1.00 0.00 C ATOM 1128 C VAL A 75 -7.839 10.973 0.495 1.00 0.00 C ATOM 1129 O VAL A 75 -8.336 11.167 -0.615 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.485 10.185 2.197 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.168 10.492 3.521 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.512 9.897 1.112 1.00 0.00 C ATOM 0 H VAL A 75 -10.342 12.462 1.612 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.843 11.536 2.567 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.871 9.294 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.809 9.657 3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.414 10.646 4.293 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.771 11.394 3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.149 9.070 1.425 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.124 10.784 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.000 9.631 0.188 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.627 10.418 0.647 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.800 9.999 -0.488 1.00 0.00 C ATOM 1144 C PRO A 76 -6.374 8.782 -1.206 1.00 0.00 C ATOM 1145 O PRO A 76 -6.740 7.793 -0.572 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.457 9.652 0.161 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.796 9.297 1.567 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.972 10.157 1.940 1.00 0.00 C ATOM 0 HA PRO A 76 -5.733 10.774 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.973 8.821 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.768 10.496 0.121 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.043 8.239 1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.951 9.482 2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.640 9.646 2.633 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.657 11.081 2.425 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.449 8.863 -2.530 1.00 0.00 N ATOM 1157 CA GLN A 77 -6.980 7.768 -3.333 1.00 0.00 C ATOM 1158 C GLN A 77 -6.154 6.501 -3.139 1.00 0.00 C ATOM 1159 O GLN A 77 -4.969 6.463 -3.474 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.000 8.156 -4.813 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.094 7.463 -5.608 1.00 0.00 C ATOM 1162 CD GLN A 77 -9.474 8.011 -5.304 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -9.857 8.149 -4.141 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -10.229 8.329 -6.349 1.00 0.00 N ATOM 0 H GLN A 77 -6.149 9.675 -3.069 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.000 7.570 -3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.130 9.235 -4.896 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.033 7.917 -5.256 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.890 7.574 -6.673 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.075 6.395 -5.390 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -9.871 8.198 -7.295 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.167 8.704 -6.205 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.786 5.466 -2.596 1.00 0.00 N ATOM 1174 CA ILE A 78 -6.109 4.197 -2.357 1.00 0.00 C ATOM 1175 C ILE A 78 -6.353 3.220 -3.503 1.00 0.00 C ATOM 1176 O ILE A 78 -7.497 2.936 -3.856 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.573 3.551 -1.039 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -6.322 4.499 0.135 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.858 2.226 -0.819 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.316 4.339 1.264 1.00 0.00 C ATOM 0 H ILE A 78 -7.766 5.481 -2.313 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.043 4.415 -2.289 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.644 3.358 -1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.317 4.329 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.356 5.527 -0.225 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.196 1.781 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.082 1.550 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.782 2.396 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.077 5.042 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.322 4.538 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.266 3.321 1.651 1.00 0.00 H new ATOM 1192 N SER A 79 -5.270 2.709 -4.078 1.00 0.00 N ATOM 1193 CA SER A 79 -5.366 1.764 -5.185 1.00 0.00 C ATOM 1194 C SER A 79 -4.189 0.793 -5.174 1.00 0.00 C ATOM 1195 O SER A 79 -3.119 1.103 -4.650 1.00 0.00 O ATOM 1196 CB SER A 79 -5.411 2.513 -6.519 1.00 0.00 C ATOM 1197 OG SER A 79 -6.595 3.284 -6.631 1.00 0.00 O ATOM 0 H SER A 79 -4.316 2.933 -3.796 1.00 0.00 H new ATOM 0 HA SER A 79 -6.287 1.193 -5.065 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.540 3.163 -6.604 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.358 1.800 -7.342 1.00 0.00 H new ATOM 0 HG SER A 79 -6.599 3.754 -7.491 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.396 -0.383 -5.756 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.354 -1.400 -5.815 1.00 0.00 C ATOM 1205 C ILE A 80 -2.962 -1.703 -7.257 1.00 0.00 C ATOM 1206 O ILE A 80 -3.815 -1.775 -8.141 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.802 -2.706 -5.131 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -4.006 -2.478 -3.632 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.780 -3.807 -5.371 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.467 -3.714 -2.891 1.00 0.00 C ATOM 0 H ILE A 80 -5.276 -0.655 -6.194 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.491 -0.999 -5.283 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.752 -3.019 -5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.070 -2.130 -3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.739 -1.684 -3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.111 -4.723 -4.882 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.680 -3.983 -6.442 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.816 -3.504 -4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.591 -3.479 -1.834 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.419 -4.051 -3.302 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.724 -4.503 -3.003 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.665 -1.882 -7.486 1.00 0.00 N ATOM 1223 CA ARG A 81 -1.159 -2.178 -8.821 1.00 0.00 C ATOM 1224 C ARG A 81 -0.440 -3.523 -8.844 1.00 0.00 C ATOM 1225 O ARG A 81 0.269 -3.875 -7.903 1.00 0.00 O ATOM 1226 CB ARG A 81 -0.210 -1.072 -9.287 1.00 0.00 C ATOM 1227 CG ARG A 81 -0.919 0.212 -9.684 1.00 0.00 C ATOM 1228 CD ARG A 81 0.070 1.283 -10.118 1.00 0.00 C ATOM 1229 NE ARG A 81 -0.563 2.593 -10.246 1.00 0.00 N ATOM 1230 CZ ARG A 81 -1.389 2.916 -11.235 1.00 0.00 C ATOM 1231 NH1 ARG A 81 -1.680 2.030 -12.177 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -1.926 4.129 -11.283 1.00 0.00 N ATOM 0 H ARG A 81 -0.946 -1.827 -6.765 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.009 -2.228 -9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.499 -0.853 -8.489 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.368 -1.435 -10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.616 0.008 -10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.508 0.578 -8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.882 1.342 -9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.515 1.000 -11.072 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.360 3.298 -9.538 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.269 1.097 -12.144 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -2.315 2.281 -12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.704 4.814 -10.560 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -2.560 4.376 -12.043 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.630 -4.272 -9.926 1.00 0.00 N ATOM 1247 CA ASN A 82 -0.001 -5.579 -10.071 1.00 0.00 C ATOM 1248 C ASN A 82 -0.213 -6.427 -8.821 1.00 0.00 C ATOM 1249 O ASN A 82 0.721 -7.006 -8.267 1.00 0.00 O ATOM 1250 CB ASN A 82 1.496 -5.420 -10.345 1.00 0.00 C ATOM 1251 CG ASN A 82 1.801 -5.268 -11.822 1.00 0.00 C ATOM 1252 OD1 ASN A 82 1.350 -6.064 -12.646 1.00 0.00 O ATOM 1253 ND2 ASN A 82 2.571 -4.242 -12.165 1.00 0.00 N ATOM 0 H ASN A 82 -1.215 -3.996 -10.715 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.467 -6.087 -10.916 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.870 -4.548 -9.808 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.028 -6.287 -9.954 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.810 -4.089 -13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 82 2.923 -3.607 -11.449 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.472 -6.503 -8.365 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.838 -7.279 -7.176 1.00 0.00 C ATOM 1262 C PRO A 83 -1.727 -8.782 -7.407 1.00 0.00 C ATOM 1263 O PRO A 83 -2.725 -9.455 -7.665 1.00 0.00 O ATOM 1264 CB PRO A 83 -3.296 -6.882 -6.928 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.805 -6.460 -8.263 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.636 -5.839 -8.975 1.00 0.00 C ATOM 0 HA PRO A 83 -1.176 -7.072 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.872 -7.718 -6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.368 -6.072 -6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.193 -7.313 -8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.623 -5.747 -8.161 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.681 -6.015 -10.050 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.604 -4.759 -8.829 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.507 -9.302 -7.313 1.00 0.00 N ATOM 1275 CA ARG A 84 -0.266 -10.726 -7.513 1.00 0.00 C ATOM 1276 C ARG A 84 -0.198 -11.459 -6.177 1.00 0.00 C ATOM 1277 O ARG A 84 -0.051 -10.839 -5.124 1.00 0.00 O ATOM 1278 CB ARG A 84 1.033 -10.940 -8.291 1.00 0.00 C ATOM 1279 CG ARG A 84 1.056 -12.230 -9.095 1.00 0.00 C ATOM 1280 CD ARG A 84 2.338 -12.362 -9.901 1.00 0.00 C ATOM 1281 NE ARG A 84 2.235 -11.710 -11.204 1.00 0.00 N ATOM 1282 CZ ARG A 84 1.704 -12.290 -12.275 1.00 0.00 C ATOM 1283 NH1 ARG A 84 1.230 -13.525 -12.198 1.00 0.00 N ATOM 1284 NH2 ARG A 84 1.645 -11.632 -13.426 1.00 0.00 N ATOM 0 H ARG A 84 0.329 -8.758 -7.100 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.098 -11.132 -8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.185 -10.098 -8.966 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.869 -10.943 -7.592 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.959 -13.081 -8.421 1.00 0.00 H new ATOM 0 HG3 ARG A 84 0.198 -12.256 -9.767 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.165 -11.925 -9.341 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.571 -13.418 -10.041 1.00 0.00 H new ATOM 0 HE ARG A 84 2.590 -10.758 -11.297 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.272 -14.033 -11.315 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.823 -13.967 -13.022 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.007 -10.681 -13.489 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.237 -12.078 -14.248 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.307 -12.783 -6.227 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.257 -13.578 -5.015 1.00 0.00 C ATOM 1300 C GLY A 85 -1.562 -13.545 -4.244 1.00 0.00 C ATOM 1301 O GLY A 85 -2.081 -14.587 -3.841 1.00 0.00 O ATOM 0 H GLY A 85 -0.429 -13.319 -7.086 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.016 -14.610 -5.271 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.547 -13.212 -4.377 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.094 -12.346 -4.037 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.347 -12.180 -3.308 1.00 0.00 C ATOM 1307 C LEU A 86 -4.544 -12.459 -4.212 1.00 0.00 C ATOM 1308 O LEU A 86 -4.433 -12.414 -5.437 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.444 -10.765 -2.737 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.295 -10.328 -1.827 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.162 -8.813 -1.825 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.508 -10.848 -0.413 1.00 0.00 C ATOM 0 H LEU A 86 -1.678 -11.474 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.359 -12.898 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.510 -10.063 -3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.376 -10.684 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.369 -10.753 -2.214 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.340 -8.521 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.963 -8.464 -2.838 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.088 -8.367 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.681 -10.528 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.443 -10.452 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.552 -11.937 -0.429 1.00 0.00 H new ATOM 1324 N SER A 87 -5.688 -12.744 -3.599 1.00 0.00 N ATOM 1325 CA SER A 87 -6.906 -13.031 -4.348 1.00 0.00 C ATOM 1326 C SER A 87 -7.882 -11.862 -4.267 1.00 0.00 C ATOM 1327 O SER A 87 -7.722 -10.961 -3.443 1.00 0.00 O ATOM 1328 CB SER A 87 -7.570 -14.302 -3.815 1.00 0.00 C ATOM 1329 OG SER A 87 -8.542 -14.789 -4.724 1.00 0.00 O ATOM 0 H SER A 87 -5.797 -12.782 -2.586 1.00 0.00 H new ATOM 0 HA SER A 87 -6.633 -13.182 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.813 -15.067 -3.643 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.039 -14.095 -2.853 1.00 0.00 H new ATOM 0 HG SER A 87 -8.951 -15.603 -4.361 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.894 -11.883 -5.127 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.898 -10.826 -5.154 1.00 0.00 C ATOM 1337 C ASP A 88 -10.309 -10.432 -3.738 1.00 0.00 C ATOM 1338 O ASP A 88 -10.331 -9.250 -3.395 1.00 0.00 O ATOM 1339 CB ASP A 88 -11.125 -11.278 -5.947 1.00 0.00 C ATOM 1340 CG ASP A 88 -12.394 -10.581 -5.498 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -12.485 -9.348 -5.666 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -13.297 -11.270 -4.977 1.00 0.00 O ATOM 0 H ASP A 88 -9.041 -12.621 -5.815 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.461 -9.955 -5.643 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.962 -11.082 -7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.248 -12.356 -5.838 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.635 -11.429 -2.923 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.048 -11.185 -1.545 1.00 0.00 C ATOM 1349 C GLU A 89 -9.980 -10.400 -0.789 1.00 0.00 C ATOM 1350 O GLU A 89 -10.258 -9.343 -0.223 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.325 -12.509 -0.830 1.00 0.00 C ATOM 1352 CG GLU A 89 -12.714 -13.064 -1.094 1.00 0.00 C ATOM 1353 CD GLU A 89 -12.920 -14.436 -0.481 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -12.272 -15.397 -0.947 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -13.729 -14.550 0.463 1.00 0.00 O ATOM 0 H GLU A 89 -10.622 -12.413 -3.192 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.963 -10.594 -1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.584 -13.244 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.198 -12.366 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -13.458 -12.376 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.880 -13.122 -2.170 1.00 0.00 H new ATOM 1362 N GLN A 90 -8.760 -10.925 -0.784 1.00 0.00 N ATOM 1363 CA GLN A 90 -7.651 -10.274 -0.096 1.00 0.00 C ATOM 1364 C GLN A 90 -7.465 -8.845 -0.595 1.00 0.00 C ATOM 1365 O GLN A 90 -7.530 -7.892 0.183 1.00 0.00 O ATOM 1366 CB GLN A 90 -6.360 -11.069 -0.298 1.00 0.00 C ATOM 1367 CG GLN A 90 -6.358 -12.416 0.408 1.00 0.00 C ATOM 1368 CD GLN A 90 -4.959 -12.905 0.729 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -4.439 -13.806 0.072 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -4.343 -12.310 1.744 1.00 0.00 N ATOM 0 H GLN A 90 -8.514 -11.799 -1.248 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.886 -10.241 0.968 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.204 -11.227 -1.365 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.519 -10.478 0.063 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.932 -12.339 1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.861 -13.152 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.813 -11.567 2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.400 -12.596 2.007 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.233 -8.703 -1.895 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.039 -7.390 -2.497 1.00 0.00 C ATOM 1381 C ILE A 91 -8.141 -6.424 -2.077 1.00 0.00 C ATOM 1382 O ILE A 91 -7.870 -5.357 -1.526 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.004 -7.475 -4.035 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -5.905 -8.436 -4.490 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -6.791 -6.094 -4.637 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.203 -9.115 -5.808 1.00 0.00 C ATOM 0 H ILE A 91 -7.175 -9.481 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.078 -7.018 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.963 -7.858 -4.385 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.967 -7.887 -4.577 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.759 -9.197 -3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.769 -6.170 -5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.607 -5.436 -4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.845 -5.685 -4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.381 -9.782 -6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.124 -9.692 -5.720 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.320 -8.362 -6.587 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.387 -6.806 -2.340 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.532 -5.974 -1.987 1.00 0.00 C ATOM 1400 C HIS A 92 -10.467 -5.552 -0.523 1.00 0.00 C ATOM 1401 O HIS A 92 -10.626 -4.376 -0.196 1.00 0.00 O ATOM 1402 CB HIS A 92 -11.837 -6.725 -2.256 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.054 -5.855 -2.185 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.300 -6.332 -1.838 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.211 -4.531 -2.418 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -15.172 -5.339 -1.862 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.536 -4.235 -2.211 1.00 0.00 N ATOM 0 H HIS A 92 -9.629 -7.686 -2.796 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.503 -5.078 -2.606 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.786 -7.184 -3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -11.936 -7.535 -1.533 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.438 -3.836 -2.712 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.225 -5.417 -1.635 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -14.960 -3.313 -2.311 1.00 0.00 H new ATOM 1416 N THR A 93 -10.232 -6.521 0.357 1.00 0.00 N ATOM 1417 CA THR A 93 -10.147 -6.251 1.787 1.00 0.00 C ATOM 1418 C THR A 93 -9.160 -5.125 2.076 1.00 0.00 C ATOM 1419 O THR A 93 -9.515 -4.119 2.692 1.00 0.00 O ATOM 1420 CB THR A 93 -9.721 -7.506 2.571 1.00 0.00 C ATOM 1421 OG1 THR A 93 -10.463 -8.643 2.117 1.00 0.00 O ATOM 1422 CG2 THR A 93 -9.942 -7.312 4.064 1.00 0.00 C ATOM 0 H THR A 93 -10.097 -7.500 0.104 1.00 0.00 H new ATOM 0 HA THR A 93 -11.143 -5.950 2.112 1.00 0.00 H new ATOM 0 HB THR A 93 -8.658 -7.674 2.396 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.040 -9.010 1.313 1.00 0.00 H new ATOM 0 HG21 THR A 93 -9.634 -8.211 4.597 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.352 -6.464 4.412 1.00 0.00 H new ATOM 0 HG23 THR A 93 -10.998 -7.122 4.254 1.00 0.00 H new ATOM 1430 N ILE A 94 -7.922 -5.301 1.628 1.00 0.00 N ATOM 1431 CA ILE A 94 -6.885 -4.298 1.838 1.00 0.00 C ATOM 1432 C ILE A 94 -7.389 -2.903 1.483 1.00 0.00 C ATOM 1433 O ILE A 94 -6.970 -1.909 2.078 1.00 0.00 O ATOM 1434 CB ILE A 94 -5.628 -4.605 1.003 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.048 -5.965 1.396 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -4.590 -3.508 1.186 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.036 -6.499 0.406 1.00 0.00 C ATOM 0 H ILE A 94 -7.612 -6.128 1.118 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.625 -4.329 2.896 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.909 -4.641 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.577 -5.881 2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -5.862 -6.683 1.495 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.707 -3.739 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.007 -2.555 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.311 -3.443 2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.667 -7.466 0.749 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.508 -6.616 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.203 -5.801 0.325 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.292 -2.836 0.511 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.857 -1.563 0.077 1.00 0.00 C ATOM 1451 C LEU A 95 -9.898 -1.061 1.073 1.00 0.00 C ATOM 1452 O LEU A 95 -9.668 -0.085 1.786 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.487 -1.708 -1.309 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.532 -2.067 -2.447 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.303 -2.602 -3.643 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.699 -0.857 -2.845 1.00 0.00 C ATOM 0 H LEU A 95 -8.649 -3.649 0.008 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.049 -0.833 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.261 -2.474 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.983 -0.771 -1.560 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.858 -2.849 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.606 -2.852 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.855 -3.495 -3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.002 -1.843 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.025 -1.131 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.358 -0.054 -3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.117 -0.518 -1.988 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.041 -1.737 1.116 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.117 -1.360 2.025 1.00 0.00 C ATOM 1470 C GLN A 96 -11.560 -0.920 3.375 1.00 0.00 C ATOM 1471 O GLN A 96 -11.954 0.115 3.913 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.085 -2.530 2.217 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.393 -3.846 2.532 1.00 0.00 C ATOM 1474 CD GLN A 96 -13.366 -5.003 2.650 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -13.871 -5.296 3.734 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -13.634 -5.667 1.532 1.00 0.00 N ATOM 0 H GLN A 96 -11.246 -2.548 0.533 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.655 -0.521 1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -13.776 -2.290 3.025 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.681 -2.650 1.312 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -11.666 -4.066 1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.838 -3.746 3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.192 -5.389 0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -14.282 -6.455 1.550 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.640 -1.712 3.917 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.028 -1.403 5.204 1.00 0.00 C ATOM 1487 C VAL A 97 -9.434 0.001 5.207 1.00 0.00 C ATOM 1488 O VAL A 97 -9.976 0.915 5.828 1.00 0.00 O ATOM 1489 CB VAL A 97 -8.923 -2.417 5.557 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.020 -1.864 6.648 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.535 -3.744 5.981 1.00 0.00 C ATOM 0 H VAL A 97 -10.302 -2.572 3.485 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.818 -1.462 5.953 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.315 -2.590 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.246 -2.594 6.884 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.555 -0.941 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.611 -1.660 7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.741 -4.449 6.227 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.167 -3.590 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.136 -4.145 5.165 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.316 0.165 4.508 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.647 1.459 4.429 1.00 0.00 C ATOM 1503 C LEU A 98 -8.647 2.572 4.133 1.00 0.00 C ATOM 1504 O LEU A 98 -8.632 3.621 4.776 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.564 1.430 3.349 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.506 0.335 3.489 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.622 0.286 2.252 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.666 0.562 4.737 1.00 0.00 C ATOM 0 H LEU A 98 -7.854 -0.581 3.988 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.183 1.660 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.049 1.317 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.060 2.396 3.342 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.014 -0.624 3.586 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.875 -0.499 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.234 0.076 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.122 1.246 2.124 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.918 -0.227 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.168 1.529 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.310 0.547 5.617 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.517 2.335 3.156 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.513 3.326 2.793 1.00 0.00 C ATOM 1522 C GLY A 99 -11.076 4.051 3.999 1.00 0.00 C ATOM 1523 O GLY A 99 -11.160 5.279 4.011 1.00 0.00 O ATOM 0 H GLY A 99 -9.550 1.474 2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.068 4.051 2.112 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.326 2.839 2.254 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.464 3.290 5.018 1.00 0.00 N ATOM 1528 CA HIS A 100 -12.023 3.868 6.235 1.00 0.00 C ATOM 1529 C HIS A 100 -10.941 4.570 7.049 1.00 0.00 C ATOM 1530 O HIS A 100 -11.086 5.735 7.420 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.690 2.782 7.080 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.698 3.086 8.547 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -13.614 3.932 9.136 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -11.895 2.649 9.546 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -13.373 4.004 10.432 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.336 3.234 10.707 1.00 0.00 N ATOM 0 H HIS A 100 -11.401 2.272 5.025 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.772 4.606 5.947 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.717 2.647 6.739 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -12.173 1.837 6.916 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.063 1.967 9.448 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.930 4.593 11.146 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.929 3.096 11.632 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.855 3.854 7.325 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.749 4.408 8.095 1.00 0.00 C ATOM 1547 C VAL A 101 -8.438 5.836 7.661 1.00 0.00 C ATOM 1548 O VAL A 101 -8.145 6.698 8.489 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.477 3.551 7.949 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.318 4.181 8.705 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.734 2.132 8.434 1.00 0.00 C ATOM 0 H VAL A 101 -9.718 2.888 7.026 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.060 4.408 9.140 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.208 3.507 6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.429 3.561 8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.121 5.176 8.306 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.572 4.258 9.762 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.826 1.540 8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.028 2.154 9.483 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.533 1.684 7.843 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.504 6.079 6.356 1.00 0.00 N ATOM 1562 CA ALA A 102 -8.232 7.404 5.811 1.00 0.00 C ATOM 1563 C ALA A 102 -9.054 8.471 6.527 1.00 0.00 C ATOM 1564 O ALA A 102 -8.504 9.400 7.119 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.517 7.429 4.317 1.00 0.00 C ATOM 0 H ALA A 102 -8.743 5.376 5.657 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.177 7.627 5.972 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.310 8.424 3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.882 6.700 3.813 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.564 7.181 4.142 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.374 8.333 6.467 1.00 0.00 N ATOM 1572 CA LYS A 103 -11.273 9.284 7.110 1.00 0.00 C ATOM 1573 C LYS A 103 -11.042 9.319 8.617 1.00 0.00 C ATOM 1574 O LYS A 103 -11.129 10.374 9.244 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.730 8.920 6.815 1.00 0.00 C ATOM 1576 CG LYS A 103 -13.037 8.795 5.333 1.00 0.00 C ATOM 1577 CD LYS A 103 -14.224 7.879 5.085 1.00 0.00 C ATOM 1578 CE LYS A 103 -14.987 8.281 3.832 1.00 0.00 C ATOM 1579 NZ LYS A 103 -16.214 7.460 3.642 1.00 0.00 N ATOM 0 H LYS A 103 -10.845 7.571 5.979 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.063 10.274 6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.967 7.977 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.381 9.679 7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -13.245 9.782 4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.162 8.408 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -13.877 6.851 4.986 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.893 7.908 5.945 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.261 9.334 3.896 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.339 8.173 2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.705 7.765 2.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.951 6.458 3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.844 7.583 4.460 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.745 8.158 9.192 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.497 8.057 10.625 1.00 0.00 C ATOM 1595 C ALA A 104 -9.307 8.916 11.039 1.00 0.00 C ATOM 1596 O ALA A 104 -9.118 9.204 12.220 1.00 0.00 O ATOM 1597 CB ALA A 104 -10.266 6.606 11.020 1.00 0.00 C ATOM 0 H ALA A 104 -10.670 7.275 8.688 1.00 0.00 H new ATOM 0 HA ALA A 104 -11.378 8.428 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.082 6.546 12.093 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.147 6.016 10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.403 6.215 10.481 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.507 9.323 10.058 1.00 0.00 N ATOM 1604 CA GLY A 105 -7.345 10.145 10.341 1.00 0.00 C ATOM 1605 C GLY A 105 -7.299 11.397 9.488 1.00 0.00 C ATOM 1606 O GLY A 105 -6.238 11.783 8.995 1.00 0.00 O ATOM 0 H GLY A 105 -8.643 9.098 9.072 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.351 10.427 11.394 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.441 9.561 10.172 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.451 12.033 9.311 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.539 13.249 8.510 1.00 0.00 C ATOM 1612 C LEU A 106 -8.193 14.478 9.345 1.00 0.00 C ATOM 1613 O LEU A 106 -8.351 14.476 10.565 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.944 13.397 7.923 1.00 0.00 C ATOM 1615 CG LEU A 106 -10.162 12.782 6.541 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.646 12.711 6.216 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.419 13.580 5.479 1.00 0.00 C ATOM 0 H LEU A 106 -9.338 11.727 9.711 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.818 13.170 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.655 12.946 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -10.183 14.459 7.868 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.764 11.767 6.549 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.781 12.270 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -12.152 12.096 6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.069 13.715 6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.585 13.128 4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.786 14.606 5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.352 13.578 5.703 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.720 15.527 8.678 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.361 16.748 9.375 1.00 0.00 C ATOM 1631 C GLY A 107 -5.950 16.708 9.926 1.00 0.00 C ATOM 1632 O GLY A 107 -5.361 17.747 10.224 1.00 0.00 O ATOM 0 H GLY A 107 -7.579 15.553 7.668 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.458 17.593 8.694 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -8.062 16.916 10.192 1.00 0.00 H new ATOM 1636 N THR A 108 -5.404 15.503 10.063 1.00 0.00 N ATOM 1637 CA THR A 108 -4.054 15.331 10.584 1.00 0.00 C ATOM 1638 C THR A 108 -3.291 14.272 9.797 1.00 0.00 C ATOM 1639 O THR A 108 -3.857 13.596 8.938 1.00 0.00 O ATOM 1640 CB THR A 108 -4.073 14.933 12.072 1.00 0.00 C ATOM 1641 OG1 THR A 108 -4.803 13.713 12.244 1.00 0.00 O ATOM 1642 CG2 THR A 108 -4.703 16.030 12.917 1.00 0.00 C ATOM 0 H THR A 108 -5.877 14.632 9.820 1.00 0.00 H new ATOM 0 HA THR A 108 -3.550 16.292 10.478 1.00 0.00 H new ATOM 0 HB THR A 108 -3.044 14.789 12.400 1.00 0.00 H new ATOM 0 HG1 THR A 108 -4.809 13.466 13.192 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.706 15.727 13.964 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.128 16.949 12.807 1.00 0.00 H new ATOM 0 HG23 THR A 108 -5.727 16.201 12.586 1.00 0.00 H new ATOM 1650 N ALA A 109 -2.004 14.131 10.096 1.00 0.00 N ATOM 1651 CA ALA A 109 -1.165 13.152 9.417 1.00 0.00 C ATOM 1652 C ALA A 109 -1.824 11.777 9.407 1.00 0.00 C ATOM 1653 O ALA A 109 -2.294 11.296 10.438 1.00 0.00 O ATOM 1654 CB ALA A 109 0.203 13.079 10.080 1.00 0.00 C ATOM 0 H ALA A 109 -1.520 14.683 10.804 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.039 13.473 8.383 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.819 12.344 9.563 1.00 0.00 H new ATOM 0 HB2 ALA A 109 0.684 14.056 10.030 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.087 12.785 11.123 1.00 0.00 H new ATOM 1660 N MET A 110 -1.855 11.149 8.236 1.00 0.00 N ATOM 1661 CA MET A 110 -2.457 9.829 8.093 1.00 0.00 C ATOM 1662 C MET A 110 -1.543 8.897 7.305 1.00 0.00 C ATOM 1663 O MET A 110 -1.456 7.703 7.596 1.00 0.00 O ATOM 1664 CB MET A 110 -3.816 9.936 7.398 1.00 0.00 C ATOM 1665 CG MET A 110 -3.838 10.943 6.260 1.00 0.00 C ATOM 1666 SD MET A 110 -5.267 10.738 5.179 1.00 0.00 S ATOM 1667 CE MET A 110 -6.258 12.152 5.657 1.00 0.00 C ATOM 0 H MET A 110 -1.470 11.533 7.373 1.00 0.00 H new ATOM 0 HA MET A 110 -2.599 9.413 9.090 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.095 8.956 7.011 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.570 10.215 8.134 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.841 11.952 6.673 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.925 10.842 5.673 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.285 11.833 5.834 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.851 12.590 6.569 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.241 12.894 4.859 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.862 9.448 6.306 1.00 0.00 N ATOM 1678 CA LEU A 111 0.047 8.666 5.475 1.00 0.00 C ATOM 1679 C LEU A 111 0.730 7.575 6.294 1.00 0.00 C ATOM 1680 O LEU A 111 0.532 6.385 6.047 1.00 0.00 O ATOM 1681 CB LEU A 111 1.099 9.576 4.839 1.00 0.00 C ATOM 1682 CG LEU A 111 0.563 10.761 4.035 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.701 11.677 3.612 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.212 10.274 2.819 1.00 0.00 C ATOM 0 H LEU A 111 -0.922 10.434 6.052 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.538 8.191 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.744 9.961 5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.725 8.971 4.183 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.117 11.329 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.301 12.515 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.213 12.053 4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.406 11.120 2.994 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.586 11.131 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.445 9.683 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.051 9.659 3.145 1.00 0.00 H new ATOM 1696 N TYR A 112 1.531 7.988 7.269 1.00 0.00 N ATOM 1697 CA TYR A 112 2.244 7.046 8.124 1.00 0.00 C ATOM 1698 C TYR A 112 1.317 5.930 8.595 1.00 0.00 C ATOM 1699 O TYR A 112 1.634 4.748 8.463 1.00 0.00 O ATOM 1700 CB TYR A 112 2.841 7.772 9.330 1.00 0.00 C ATOM 1701 CG TYR A 112 3.610 6.863 10.263 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.944 6.556 10.021 1.00 0.00 C ATOM 1703 CD2 TYR A 112 3.004 6.312 11.385 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.651 5.726 10.870 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.703 5.482 12.240 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.026 5.192 11.978 1.00 0.00 C ATOM 1707 OH TYR A 112 5.726 4.365 12.827 1.00 0.00 O ATOM 0 H TYR A 112 1.703 8.969 7.487 1.00 0.00 H new ATOM 0 HA TYR A 112 3.050 6.602 7.540 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.504 8.562 8.977 1.00 0.00 H new ATOM 0 HB3 TYR A 112 2.038 8.255 9.887 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.436 6.973 9.155 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.968 6.536 11.593 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.687 5.497 10.667 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.217 5.063 13.108 1.00 0.00 H new ATOM 0 HH TYR A 112 5.141 4.075 13.558 1.00 0.00 H new ATOM 1717 N GLU A 113 0.169 6.315 9.144 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.804 5.347 9.636 1.00 0.00 C ATOM 1719 C GLU A 113 -1.257 4.414 8.515 1.00 0.00 C ATOM 1720 O GLU A 113 -1.024 3.206 8.565 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.014 6.066 10.236 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.807 5.213 11.212 1.00 0.00 C ATOM 1723 CD GLU A 113 -4.204 5.751 11.455 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -4.323 6.844 12.048 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -5.177 5.079 11.054 1.00 0.00 O ATOM 0 H GLU A 113 -0.110 7.289 9.259 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.324 4.750 10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.674 6.967 10.747 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.672 6.387 9.429 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.875 4.195 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.272 5.160 12.160 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.908 4.984 7.507 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.395 4.205 6.373 1.00 0.00 C ATOM 1734 C LEU A 114 -1.403 3.108 6.001 1.00 0.00 C ATOM 1735 O LEU A 114 -1.786 1.954 5.801 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.640 5.117 5.170 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.993 5.829 5.132 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.981 6.942 4.096 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -5.109 4.837 4.838 1.00 0.00 C ATOM 0 H LEU A 114 -2.111 5.982 7.451 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.335 3.736 6.662 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.854 5.872 5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.539 4.522 4.262 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.176 6.273 6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.952 7.437 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -3.207 7.667 4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.775 6.521 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.065 5.361 4.815 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.931 4.364 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.132 4.074 5.616 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.129 3.474 5.910 1.00 0.00 N ATOM 1752 CA ILE A 115 0.917 2.520 5.565 1.00 0.00 C ATOM 1753 C ILE A 115 0.964 1.370 6.566 1.00 0.00 C ATOM 1754 O ILE A 115 0.896 0.201 6.186 1.00 0.00 O ATOM 1755 CB ILE A 115 2.300 3.195 5.511 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.325 4.268 4.420 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.386 2.159 5.267 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.375 5.333 4.645 1.00 0.00 C ATOM 0 H ILE A 115 0.204 4.425 6.071 1.00 0.00 H new ATOM 0 HA ILE A 115 0.674 2.129 4.577 1.00 0.00 H new ATOM 0 HB ILE A 115 2.492 3.674 6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.504 3.791 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.345 4.741 4.365 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.358 2.652 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.379 1.428 6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.201 1.654 4.319 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.336 6.060 3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.185 5.836 5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.362 4.871 4.671 1.00 0.00 H new ATOM 1770 N GLU A 116 1.079 1.710 7.845 1.00 0.00 N ATOM 1771 CA GLU A 116 1.134 0.706 8.901 1.00 0.00 C ATOM 1772 C GLU A 116 0.184 -0.451 8.601 1.00 0.00 C ATOM 1773 O GLU A 116 0.593 -1.611 8.560 1.00 0.00 O ATOM 1774 CB GLU A 116 0.782 1.333 10.251 1.00 0.00 C ATOM 1775 CG GLU A 116 1.685 2.492 10.638 1.00 0.00 C ATOM 1776 CD GLU A 116 1.751 2.705 12.138 1.00 0.00 C ATOM 1777 OE1 GLU A 116 2.243 1.800 12.844 1.00 0.00 O ATOM 1778 OE2 GLU A 116 1.309 3.775 12.606 1.00 0.00 O ATOM 0 H GLU A 116 1.136 2.673 8.176 1.00 0.00 H new ATOM 0 HA GLU A 116 2.151 0.317 8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.250 1.682 10.222 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.838 0.566 11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.689 2.308 10.256 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.325 3.403 10.161 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.087 -0.125 8.393 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.097 -1.134 8.096 1.00 0.00 C ATOM 1787 C LYS A 117 -1.654 -2.023 6.938 1.00 0.00 C ATOM 1788 O LYS A 117 -1.770 -3.246 7.002 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.432 -0.466 7.759 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.294 -0.182 8.976 1.00 0.00 C ATOM 1791 CD LYS A 117 -4.817 -1.465 9.601 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.908 -1.183 10.623 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.435 -2.436 11.231 1.00 0.00 N ATOM 0 H LYS A 117 -1.442 0.831 8.425 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.223 -1.757 8.981 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.238 0.470 7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.986 -1.107 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -3.713 0.372 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.133 0.452 8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.208 -2.118 8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.996 -1.998 10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.513 -0.537 11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.723 -0.641 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.176 -2.202 11.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.835 -3.042 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -5.662 -2.941 11.710 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.145 -1.399 5.880 1.00 0.00 N ATOM 1808 CA GLY A 118 -0.692 -2.150 4.724 1.00 0.00 C ATOM 1809 C GLY A 118 -0.087 -3.487 5.102 1.00 0.00 C ATOM 1810 O GLY A 118 -0.361 -4.504 4.463 1.00 0.00 O ATOM 0 H GLY A 118 -1.038 -0.388 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -1.532 -2.313 4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 118 0.046 -1.562 4.179 1.00 0.00 H new ATOM 1814 N LYS A 119 0.740 -3.488 6.141 1.00 0.00 N ATOM 1815 CA LYS A 119 1.387 -4.710 6.604 1.00 0.00 C ATOM 1816 C LYS A 119 0.444 -5.526 7.483 1.00 0.00 C ATOM 1817 O LYS A 119 0.233 -6.714 7.245 1.00 0.00 O ATOM 1818 CB LYS A 119 2.663 -4.375 7.380 1.00 0.00 C ATOM 1819 CG LYS A 119 3.682 -3.596 6.567 1.00 0.00 C ATOM 1820 CD LYS A 119 4.862 -3.163 7.420 1.00 0.00 C ATOM 1821 CE LYS A 119 4.596 -1.831 8.105 1.00 0.00 C ATOM 1822 NZ LYS A 119 5.449 -1.647 9.312 1.00 0.00 N ATOM 0 H LYS A 119 0.979 -2.655 6.679 1.00 0.00 H new ATOM 0 HA LYS A 119 1.648 -5.306 5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.399 -3.797 8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.120 -5.301 7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.036 -4.211 5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.206 -2.718 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.068 -3.925 8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.752 -3.081 6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.781 -1.018 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.546 -1.773 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.237 -0.728 9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.255 -2.408 9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.451 -1.677 9.036 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.120 -4.878 8.498 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.041 -5.545 9.411 1.00 0.00 C ATOM 1838 C GLU A 120 -2.051 -6.392 8.643 1.00 0.00 C ATOM 1839 O GLU A 120 -2.129 -7.606 8.830 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.773 -4.515 10.274 1.00 0.00 C ATOM 1841 CG GLU A 120 -1.010 -4.116 11.525 1.00 0.00 C ATOM 1842 CD GLU A 120 -0.491 -5.312 12.298 1.00 0.00 C ATOM 1843 OE1 GLU A 120 0.636 -5.765 12.006 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -1.211 -5.796 13.196 1.00 0.00 O ATOM 0 H GLU A 120 0.044 -3.894 8.708 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.459 -6.202 10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.965 -3.624 9.676 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.743 -4.920 10.564 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.172 -3.477 11.247 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -1.661 -3.526 12.170 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.823 -5.742 7.778 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.828 -6.435 6.981 1.00 0.00 C ATOM 1853 C ILE A 121 -3.299 -7.771 6.471 1.00 0.00 C ATOM 1854 O ILE A 121 -3.945 -8.808 6.629 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.280 -5.582 5.781 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.916 -4.278 6.265 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.256 -6.364 4.914 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.819 -3.149 5.262 1.00 0.00 C ATOM 0 H ILE A 121 -2.772 -4.737 7.611 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.683 -6.611 7.634 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.405 -5.336 5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.966 -4.459 6.496 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.434 -3.971 7.193 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.567 -5.748 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.771 -7.268 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.130 -6.637 5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.291 -2.256 5.672 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.771 -2.940 5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.326 -3.436 4.341 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.120 -7.740 5.860 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.502 -8.950 5.328 1.00 0.00 C ATOM 1872 C LEU A 122 -1.186 -9.937 6.446 1.00 0.00 C ATOM 1873 O LEU A 122 -1.640 -11.081 6.425 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.224 -8.599 4.564 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.409 -7.782 3.285 1.00 0.00 C ATOM 1876 CD1 LEU A 122 0.935 -7.303 2.759 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.136 -8.602 2.229 1.00 0.00 C ATOM 0 H LEU A 122 -1.573 -6.891 5.721 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.209 -9.420 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.435 -8.045 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.288 -9.526 4.308 1.00 0.00 H new ATOM 0 HG LEU A 122 -1.017 -6.908 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.784 -6.723 1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.418 -6.679 3.511 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.568 -8.163 2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.259 -8.005 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.555 -9.495 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.116 -8.895 2.606 1.00 0.00 H new