USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 812 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 87 THR OG1 : rot -150:sc= 0.211 USER MOD Set 1.2: A 101 SER OG : rot 75:sc= 0.379 USER MOD Set 2.1: A 77 GLN : amide:sc= -0.541 K(o=-3,f=-13!) USER MOD Set 2.2: A 89 LYS NZ :NH3+ -144:sc= -2.48! (180deg=-4.82!) USER MOD Set 3.1: A 38 GLN :FLIP amide:sc= 0.445 F(o=0,f=0.81) USER MOD Set 3.2: A 40 ASN :FLIP amide:sc= 0.36 F(o=-0.1,f=0.81) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0484 K(o=-0.048,f=-1.8!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.04) USER MOD Single : A 30 LYS NZ :NH3+ -133:sc= 0.796 (180deg=0.247) USER MOD Single : A 31 GLN : amide:sc= 0.0164 X(o=0.016,f=-0.18) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= -0.0257 (180deg=-0.0257) USER MOD Single : A 50 CYS SG : rot 180:sc=-0.00602 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.363 USER MOD Single : A 54 TYR OH : rot 165:sc= -0.822 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= -0.0457 (180deg=-0.294) USER MOD Single : A 61 SER OG : rot 180:sc= -0.174 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 157:sc= -0.052 (180deg=-0.357) USER MOD Single : A 86 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-4.2!) USER MOD Single : A 92 HIS : no HD1:sc= -5.89! C(o=-5.9!,f=-8!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= -0.894 K(o=-0.89,f=-3.4!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl -174:sc= -0.489 (180deg=-0.72) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.919 4.432 -6.084 1.00 0.00 N ATOM 177 CA LYS A 15 -12.505 3.147 -5.722 1.00 0.00 C ATOM 178 C LYS A 15 -12.100 2.065 -6.718 1.00 0.00 C ATOM 179 O LYS A 15 -11.695 2.363 -7.842 1.00 0.00 O ATOM 180 CB LYS A 15 -14.030 3.256 -5.663 1.00 0.00 C ATOM 181 CG LYS A 15 -14.681 2.204 -4.782 1.00 0.00 C ATOM 182 CD LYS A 15 -16.188 2.388 -4.715 1.00 0.00 C ATOM 183 CE LYS A 15 -16.583 3.351 -3.606 1.00 0.00 C ATOM 184 NZ LYS A 15 -17.931 3.039 -3.054 1.00 0.00 N ATOM 0 HA LYS A 15 -12.129 2.869 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.301 4.245 -5.294 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.431 3.171 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.452 1.211 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.262 2.259 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.553 2.763 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.666 1.423 -4.548 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.844 3.307 -2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.575 4.371 -3.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.163 3.718 -2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.640 3.106 -3.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.932 2.075 -2.664 1.00 0.00 H new ATOM 198 N ARG A 16 -12.215 0.809 -6.300 1.00 0.00 N ATOM 199 CA ARG A 16 -11.862 -0.317 -7.156 1.00 0.00 C ATOM 200 C ARG A 16 -13.064 -0.775 -7.977 1.00 0.00 C ATOM 201 O ARG A 16 -14.189 -0.811 -7.480 1.00 0.00 O ATOM 202 CB ARG A 16 -11.333 -1.480 -6.314 1.00 0.00 C ATOM 203 CG ARG A 16 -11.184 -2.777 -7.092 1.00 0.00 C ATOM 204 CD ARG A 16 -10.228 -3.735 -6.400 1.00 0.00 C ATOM 205 NE ARG A 16 -10.280 -5.075 -6.979 1.00 0.00 N ATOM 206 CZ ARG A 16 -11.304 -5.906 -6.816 1.00 0.00 C ATOM 207 NH1 ARG A 16 -12.354 -5.537 -6.096 1.00 0.00 N ATOM 208 NH2 ARG A 16 -11.278 -7.109 -7.375 1.00 0.00 N ATOM 0 H ARG A 16 -12.550 0.545 -5.373 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.080 0.012 -7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.365 -1.204 -5.896 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.008 -1.646 -5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.159 -3.251 -7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.820 -2.560 -8.096 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.212 -3.348 -6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.474 -3.789 -5.339 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.487 -5.390 -7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.378 -4.613 -5.665 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.138 -6.177 -5.973 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.472 -7.396 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.064 -7.747 -7.250 1.00 0.00 H new ATOM 222 N ASN A 17 -12.818 -1.123 -9.235 1.00 0.00 N ATOM 223 CA ASN A 17 -13.880 -1.577 -10.125 1.00 0.00 C ATOM 224 C ASN A 17 -14.230 -3.037 -9.854 1.00 0.00 C ATOM 225 O ASN A 17 -13.395 -3.831 -9.418 1.00 0.00 O ATOM 226 CB ASN A 17 -13.460 -1.405 -11.586 1.00 0.00 C ATOM 227 CG ASN A 17 -13.545 0.038 -12.045 1.00 0.00 C ATOM 228 OD1 ASN A 17 -14.145 0.880 -11.377 1.00 0.00 O ATOM 229 ND2 ASN A 17 -12.943 0.330 -13.192 1.00 0.00 N ATOM 0 H ASN A 17 -11.892 -1.099 -9.662 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.764 -0.968 -9.934 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.439 -1.764 -11.712 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.096 -2.023 -12.219 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.967 1.284 -13.552 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.457 -0.400 -13.713 1.00 0.00 H new ATOM 236 N PRO A 18 -15.493 -3.402 -10.118 1.00 0.00 N ATOM 237 CA PRO A 18 -15.982 -4.769 -9.911 1.00 0.00 C ATOM 238 C PRO A 18 -15.385 -5.755 -10.909 1.00 0.00 C ATOM 239 O PRO A 18 -15.051 -6.885 -10.555 1.00 0.00 O ATOM 240 CB PRO A 18 -17.493 -4.641 -10.124 1.00 0.00 C ATOM 241 CG PRO A 18 -17.651 -3.454 -11.009 1.00 0.00 C ATOM 242 CD PRO A 18 -16.542 -2.509 -10.639 1.00 0.00 C ATOM 0 HA PRO A 18 -15.707 -5.156 -8.930 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.905 -5.538 -10.587 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -18.016 -4.502 -9.178 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.586 -3.739 -12.059 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.625 -2.987 -10.865 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.194 -1.940 -11.501 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.863 -1.786 -9.889 1.00 0.00 H new ATOM 250 N ASN A 19 -15.254 -5.320 -12.158 1.00 0.00 N ATOM 251 CA ASN A 19 -14.697 -6.166 -13.207 1.00 0.00 C ATOM 252 C ASN A 19 -13.216 -5.865 -13.420 1.00 0.00 C ATOM 253 O ASN A 19 -12.739 -5.815 -14.553 1.00 0.00 O ATOM 254 CB ASN A 19 -15.463 -5.962 -14.516 1.00 0.00 C ATOM 255 CG ASN A 19 -16.723 -6.804 -14.586 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.659 -8.031 -14.651 1.00 0.00 O ATOM 257 ND2 ASN A 19 -17.876 -6.145 -14.572 1.00 0.00 N ATOM 0 H ASN A 19 -15.526 -4.387 -12.468 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.797 -7.205 -12.893 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -15.726 -4.909 -14.619 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.815 -6.212 -15.356 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.757 -6.657 -14.616 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -17.881 -5.126 -14.517 1.00 0.00 H new ATOM 264 N ALA A 20 -12.495 -5.666 -12.322 1.00 0.00 N ATOM 265 CA ALA A 20 -11.069 -5.372 -12.387 1.00 0.00 C ATOM 266 C ALA A 20 -10.242 -6.552 -11.887 1.00 0.00 C ATOM 267 O ALA A 20 -10.403 -7.020 -10.760 1.00 0.00 O ATOM 268 CB ALA A 20 -10.749 -4.122 -11.581 1.00 0.00 C ATOM 0 H ALA A 20 -12.875 -5.703 -11.376 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.808 -5.194 -13.430 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.680 -3.915 -11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.305 -3.276 -11.986 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -11.032 -4.278 -10.540 1.00 0.00 H new ATOM 274 N PRO A 21 -9.336 -7.047 -12.744 1.00 0.00 N ATOM 275 CA PRO A 21 -8.467 -8.179 -12.410 1.00 0.00 C ATOM 276 C PRO A 21 -7.421 -7.817 -11.361 1.00 0.00 C ATOM 277 O PRO A 21 -6.736 -6.801 -11.477 1.00 0.00 O ATOM 278 CB PRO A 21 -7.793 -8.513 -13.743 1.00 0.00 C ATOM 279 CG PRO A 21 -7.825 -7.239 -14.514 1.00 0.00 C ATOM 280 CD PRO A 21 -9.091 -6.539 -14.104 1.00 0.00 C ATOM 0 HA PRO A 21 -9.026 -9.009 -11.979 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.770 -8.860 -13.594 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.325 -9.307 -14.268 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.951 -6.627 -14.292 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.815 -7.432 -15.587 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.972 -5.456 -14.113 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.916 -6.775 -14.776 1.00 0.00 H new ATOM 288 N VAL A 22 -7.303 -8.656 -10.336 1.00 0.00 N ATOM 289 CA VAL A 22 -6.340 -8.425 -9.267 1.00 0.00 C ATOM 290 C VAL A 22 -4.910 -8.576 -9.773 1.00 0.00 C ATOM 291 O VAL A 22 -4.489 -9.665 -10.165 1.00 0.00 O ATOM 292 CB VAL A 22 -6.561 -9.397 -8.092 1.00 0.00 C ATOM 293 CG1 VAL A 22 -6.500 -10.838 -8.573 1.00 0.00 C ATOM 294 CG2 VAL A 22 -5.538 -9.148 -6.995 1.00 0.00 C ATOM 0 H VAL A 22 -7.863 -9.501 -10.224 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.494 -7.404 -8.919 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.553 -9.219 -7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.658 -11.510 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.275 -11.005 -9.321 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.523 -11.033 -9.014 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.709 -9.843 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.534 -9.297 -7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.636 -8.125 -6.631 1.00 0.00 H new ATOM 304 N THR A 23 -4.165 -7.475 -9.763 1.00 0.00 N ATOM 305 CA THR A 23 -2.781 -7.483 -10.221 1.00 0.00 C ATOM 306 C THR A 23 -1.912 -8.362 -9.330 1.00 0.00 C ATOM 307 O THR A 23 -1.258 -9.292 -9.804 1.00 0.00 O ATOM 308 CB THR A 23 -2.191 -6.061 -10.253 1.00 0.00 C ATOM 309 OG1 THR A 23 -3.084 -5.175 -10.938 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.834 -6.053 -10.941 1.00 0.00 C ATOM 0 H THR A 23 -4.497 -6.566 -9.442 1.00 0.00 H new ATOM 0 HA THR A 23 -2.786 -7.889 -11.233 1.00 0.00 H new ATOM 0 HB THR A 23 -2.061 -5.722 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.702 -4.273 -10.952 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.437 -5.038 -10.951 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.148 -6.705 -10.400 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.943 -6.410 -11.965 1.00 0.00 H new ATOM 318 N LYS A 24 -1.908 -8.063 -8.035 1.00 0.00 N ATOM 319 CA LYS A 24 -1.120 -8.827 -7.075 1.00 0.00 C ATOM 320 C LYS A 24 -1.715 -8.719 -5.675 1.00 0.00 C ATOM 321 O LYS A 24 -2.037 -7.627 -5.209 1.00 0.00 O ATOM 322 CB LYS A 24 0.328 -8.332 -7.064 1.00 0.00 C ATOM 323 CG LYS A 24 1.298 -9.303 -6.413 1.00 0.00 C ATOM 324 CD LYS A 24 2.613 -8.628 -6.065 1.00 0.00 C ATOM 325 CE LYS A 24 3.505 -9.539 -5.236 1.00 0.00 C ATOM 326 NZ LYS A 24 3.881 -10.774 -5.979 1.00 0.00 N ATOM 0 H LYS A 24 -2.442 -7.296 -7.626 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.138 -9.874 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.647 -8.145 -8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.373 -7.379 -6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.850 -9.716 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.484 -10.139 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.131 -8.345 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.416 -7.709 -5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.407 -9.000 -4.948 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.989 -9.812 -4.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.556 -11.327 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.030 -11.344 -6.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.320 -10.514 -6.885 1.00 0.00 H new ATOM 340 N ALA A 25 -1.858 -9.860 -5.008 1.00 0.00 N ATOM 341 CA ALA A 25 -2.411 -9.893 -3.660 1.00 0.00 C ATOM 342 C ALA A 25 -1.451 -10.573 -2.689 1.00 0.00 C ATOM 343 O ALA A 25 -0.766 -11.530 -3.046 1.00 0.00 O ATOM 344 CB ALA A 25 -3.756 -10.604 -3.659 1.00 0.00 C ATOM 0 H ALA A 25 -1.598 -10.774 -5.380 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.555 -8.865 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.158 -10.621 -2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.448 -10.075 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.628 -11.626 -4.016 1.00 0.00 H new ATOM 350 N GLY A 26 -1.406 -10.070 -1.459 1.00 0.00 N ATOM 351 CA GLY A 26 -0.525 -10.640 -0.456 1.00 0.00 C ATOM 352 C GLY A 26 -0.553 -9.867 0.847 1.00 0.00 C ATOM 353 O GLY A 26 -0.609 -8.638 0.846 1.00 0.00 O ATOM 0 H GLY A 26 -1.964 -9.278 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.815 -11.674 -0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.494 -10.660 -0.841 1.00 0.00 H new ATOM 357 N TRP A 27 -0.516 -10.589 1.961 1.00 0.00 N ATOM 358 CA TRP A 27 -0.540 -9.962 3.278 1.00 0.00 C ATOM 359 C TRP A 27 0.778 -9.252 3.567 1.00 0.00 C ATOM 360 O TRP A 27 1.819 -9.892 3.722 1.00 0.00 O ATOM 361 CB TRP A 27 -0.816 -11.009 4.359 1.00 0.00 C ATOM 362 CG TRP A 27 -2.260 -11.401 4.451 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.883 -12.402 3.762 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.261 -10.797 5.278 1.00 0.00 C ATOM 365 NE1 TRP A 27 -4.211 -12.457 4.110 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.467 -11.484 5.039 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.255 -9.745 6.197 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.654 -11.150 5.687 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.433 -9.415 6.839 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.619 -10.116 6.583 1.00 0.00 C ATOM 0 H TRP A 27 -0.469 -11.608 1.979 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.340 -9.222 3.286 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -0.218 -11.897 4.156 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.490 -10.620 5.324 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -2.402 -13.055 3.048 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.895 -13.115 3.737 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.346 -9.199 6.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.569 -11.688 5.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.440 -8.603 7.551 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.523 -9.835 7.103 1.00 0.00 H new ATOM 381 N LEU A 28 0.728 -7.926 3.637 1.00 0.00 N ATOM 382 CA LEU A 28 1.919 -7.129 3.907 1.00 0.00 C ATOM 383 C LEU A 28 1.768 -6.347 5.208 1.00 0.00 C ATOM 384 O LEU A 28 0.701 -6.346 5.824 1.00 0.00 O ATOM 385 CB LEU A 28 2.186 -6.166 2.749 1.00 0.00 C ATOM 386 CG LEU A 28 3.020 -6.721 1.594 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.925 -5.810 0.380 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.471 -6.896 2.019 1.00 0.00 C ATOM 0 H LEU A 28 -0.125 -7.381 3.510 1.00 0.00 H new ATOM 0 HA LEU A 28 2.765 -7.809 4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.227 -5.833 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.691 -5.285 3.145 1.00 0.00 H new ATOM 0 HG LEU A 28 2.622 -7.698 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.525 -6.222 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.885 -5.736 0.061 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.296 -4.819 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.049 -7.292 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.881 -5.932 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.523 -7.590 2.858 1.00 0.00 H new ATOM 400 N PHE A 29 2.841 -5.681 5.621 1.00 0.00 N ATOM 401 CA PHE A 29 2.827 -4.893 6.848 1.00 0.00 C ATOM 402 C PHE A 29 2.878 -3.400 6.537 1.00 0.00 C ATOM 403 O PHE A 29 3.751 -2.937 5.803 1.00 0.00 O ATOM 404 CB PHE A 29 4.007 -5.281 7.741 1.00 0.00 C ATOM 405 CG PHE A 29 3.825 -6.599 8.438 1.00 0.00 C ATOM 406 CD1 PHE A 29 4.009 -7.790 7.755 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.468 -6.647 9.776 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.842 -9.005 8.393 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.300 -7.858 10.419 1.00 0.00 C ATOM 410 CZ PHE A 29 3.486 -9.039 9.727 1.00 0.00 C ATOM 0 H PHE A 29 3.732 -5.671 5.124 1.00 0.00 H new ATOM 0 HA PHE A 29 1.897 -5.104 7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.912 -5.322 7.135 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.158 -4.502 8.488 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.286 -7.769 6.711 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.319 -5.727 10.322 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.990 -9.926 7.849 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.023 -7.881 11.463 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.353 -9.987 10.228 1.00 0.00 H new ATOM 420 N LYS A 30 1.936 -2.652 7.101 1.00 0.00 N ATOM 421 CA LYS A 30 1.872 -1.211 6.886 1.00 0.00 C ATOM 422 C LYS A 30 2.403 -0.456 8.101 1.00 0.00 C ATOM 423 O LYS A 30 1.764 -0.427 9.152 1.00 0.00 O ATOM 424 CB LYS A 30 0.433 -0.782 6.594 1.00 0.00 C ATOM 425 CG LYS A 30 0.326 0.594 5.959 1.00 0.00 C ATOM 426 CD LYS A 30 -1.108 0.921 5.576 1.00 0.00 C ATOM 427 CE LYS A 30 -1.243 2.357 5.095 1.00 0.00 C ATOM 428 NZ LYS A 30 -1.024 2.474 3.627 1.00 0.00 N ATOM 0 H LYS A 30 1.206 -3.020 7.711 1.00 0.00 H new ATOM 0 HA LYS A 30 2.498 -0.968 6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.029 -1.515 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.135 -0.789 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.699 1.346 6.654 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.959 0.637 5.073 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.440 0.241 4.792 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.760 0.761 6.434 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.236 2.732 5.345 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.524 2.985 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.376 3.264 3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.610 1.591 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.933 2.649 3.153 1.00 0.00 H new ATOM 442 N GLN A 31 3.574 0.154 7.947 1.00 0.00 N ATOM 443 CA GLN A 31 4.189 0.910 9.032 1.00 0.00 C ATOM 444 C GLN A 31 3.237 1.977 9.560 1.00 0.00 C ATOM 445 O GLN A 31 2.532 2.630 8.790 1.00 0.00 O ATOM 446 CB GLN A 31 5.489 1.559 8.556 1.00 0.00 C ATOM 447 CG GLN A 31 6.524 1.729 9.657 1.00 0.00 C ATOM 448 CD GLN A 31 7.514 2.838 9.362 1.00 0.00 C ATOM 449 OE1 GLN A 31 7.127 3.973 9.083 1.00 0.00 O ATOM 450 NE2 GLN A 31 8.800 2.515 9.422 1.00 0.00 N ATOM 0 H GLN A 31 4.115 0.140 7.083 1.00 0.00 H new ATOM 0 HA GLN A 31 4.413 0.217 9.843 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.917 0.953 7.757 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.262 2.536 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.016 1.941 10.598 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.064 0.792 9.791 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.076 1.562 9.657 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.512 3.220 9.233 1.00 0.00 H new ATOM 459 N ALA A 32 3.220 2.150 10.877 1.00 0.00 N ATOM 460 CA ALA A 32 2.355 3.139 11.508 1.00 0.00 C ATOM 461 C ALA A 32 2.797 4.556 11.159 1.00 0.00 C ATOM 462 O ALA A 32 3.835 4.755 10.527 1.00 0.00 O ATOM 463 CB ALA A 32 2.343 2.945 13.017 1.00 0.00 C ATOM 0 H ALA A 32 3.796 1.617 11.529 1.00 0.00 H new ATOM 0 HA ALA A 32 1.344 2.997 11.127 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.693 3.691 13.475 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.973 1.947 13.253 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.355 3.058 13.406 1.00 0.00 H new ATOM 536 N GLN A 38 5.269 0.842 15.054 1.00 0.00 N ATOM 537 CA GLN A 38 4.614 -0.458 14.968 1.00 0.00 C ATOM 538 C GLN A 38 4.187 -0.758 13.535 1.00 0.00 C ATOM 539 O GLN A 38 4.032 0.151 12.720 1.00 0.00 O ATOM 540 CB GLN A 38 3.398 -0.502 15.895 1.00 0.00 C ATOM 541 CG GLN A 38 2.195 0.258 15.358 1.00 0.00 C ATOM 542 CD GLN A 38 0.894 -0.178 16.002 1.00 0.00 C ATOM 543 OE1 GLN A 38 0.747 0.109 17.290 1.00 0.00 O flip ATOM 544 NE2 GLN A 38 0.031 -0.765 15.350 1.00 0.00 N flip ATOM 0 HA GLN A 38 5.329 -1.219 15.282 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.116 -1.542 16.061 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.676 -0.088 16.864 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.340 1.325 15.526 1.00 0.00 H new ATOM 0 HG3 GLN A 38 2.129 0.112 14.280 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.186 -0.965 14.362 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.840 -1.051 15.798 1.00 0.00 H new ATOM 553 N TRP A 39 3.999 -2.038 13.235 1.00 0.00 N ATOM 554 CA TRP A 39 3.590 -2.458 11.899 1.00 0.00 C ATOM 555 C TRP A 39 2.232 -3.150 11.938 1.00 0.00 C ATOM 556 O TRP A 39 2.030 -4.099 12.693 1.00 0.00 O ATOM 557 CB TRP A 39 4.636 -3.395 11.294 1.00 0.00 C ATOM 558 CG TRP A 39 5.975 -2.748 11.105 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.955 -2.601 12.044 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.478 -2.157 9.901 1.00 0.00 C ATOM 561 NE1 TRP A 39 8.038 -1.956 11.497 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.771 -1.673 10.184 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.964 -1.992 8.612 1.00 0.00 C ATOM 564 CZ2 TRP A 39 8.553 -1.036 9.225 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.742 -1.359 7.661 1.00 0.00 C ATOM 566 CH2 TRP A 39 8.024 -0.887 7.971 1.00 0.00 C ATOM 0 H TRP A 39 4.123 -2.803 13.898 1.00 0.00 H new ATOM 0 HA TRP A 39 3.506 -1.568 11.275 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.749 -4.266 11.939 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.276 -3.756 10.331 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.889 -2.942 13.067 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.901 -1.725 11.989 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.977 -2.353 8.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 9.542 -0.672 9.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 6.355 -1.226 6.662 1.00 0.00 H new ATOM 0 HH2 TRP A 39 8.607 -0.396 7.206 1.00 0.00 H new ATOM 577 N ASN A 40 1.303 -2.667 11.118 1.00 0.00 N ATOM 578 CA ASN A 40 -0.037 -3.240 11.060 1.00 0.00 C ATOM 579 C ASN A 40 -0.175 -4.180 9.866 1.00 0.00 C ATOM 580 O ASN A 40 -0.083 -3.756 8.714 1.00 0.00 O ATOM 581 CB ASN A 40 -1.086 -2.129 10.973 1.00 0.00 C ATOM 582 CG ASN A 40 -1.453 -1.574 12.336 1.00 0.00 C ATOM 583 OD1 ASN A 40 -0.828 -0.464 12.710 1.00 0.00 O flip ATOM 584 ND2 ASN A 40 -2.290 -2.136 13.042 1.00 0.00 N flip ATOM 0 H ASN A 40 1.454 -1.881 10.485 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.200 -3.814 11.972 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.706 -1.323 10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.982 -2.516 10.488 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -2.745 -2.988 12.713 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.528 -1.750 13.956 1.00 0.00 H new ATOM 591 N LYS A 41 -0.397 -5.459 10.149 1.00 0.00 N ATOM 592 CA LYS A 41 -0.550 -6.460 9.100 1.00 0.00 C ATOM 593 C LYS A 41 -1.966 -6.440 8.532 1.00 0.00 C ATOM 594 O LYS A 41 -2.934 -6.707 9.244 1.00 0.00 O ATOM 595 CB LYS A 41 -0.228 -7.853 9.645 1.00 0.00 C ATOM 596 CG LYS A 41 -0.039 -8.901 8.562 1.00 0.00 C ATOM 597 CD LYS A 41 -0.230 -10.307 9.107 1.00 0.00 C ATOM 598 CE LYS A 41 -0.329 -11.330 7.987 1.00 0.00 C ATOM 599 NZ LYS A 41 0.989 -11.568 7.335 1.00 0.00 N ATOM 0 H LYS A 41 -0.475 -5.827 11.097 1.00 0.00 H new ATOM 0 HA LYS A 41 0.148 -6.220 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.679 -7.798 10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.033 -8.169 10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.749 -8.723 7.754 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.959 -8.808 8.135 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.604 -10.561 9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.134 -10.343 9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.712 -12.269 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.046 -10.985 7.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.879 -12.272 6.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.343 -10.677 6.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.666 -11.922 8.040 1.00 0.00 H new ATOM 613 N ARG A 42 -2.078 -6.123 7.246 1.00 0.00 N ATOM 614 CA ARG A 42 -3.375 -6.069 6.583 1.00 0.00 C ATOM 615 C ARG A 42 -3.298 -6.681 5.187 1.00 0.00 C ATOM 616 O ARG A 42 -2.213 -6.839 4.627 1.00 0.00 O ATOM 617 CB ARG A 42 -3.865 -4.623 6.491 1.00 0.00 C ATOM 618 CG ARG A 42 -4.109 -3.976 7.845 1.00 0.00 C ATOM 619 CD ARG A 42 -5.497 -4.301 8.375 1.00 0.00 C ATOM 620 NE ARG A 42 -5.538 -4.303 9.835 1.00 0.00 N ATOM 621 CZ ARG A 42 -6.646 -4.506 10.539 1.00 0.00 C ATOM 622 NH1 ARG A 42 -7.798 -4.724 9.919 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.604 -4.492 11.865 1.00 0.00 N ATOM 0 H ARG A 42 -1.286 -5.900 6.643 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.083 -6.648 7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.130 -4.033 5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.789 -4.597 5.914 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.357 -4.321 8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.995 -2.895 7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.211 -3.571 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.808 -5.277 8.002 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.668 -4.140 10.342 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.834 -4.736 8.900 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.648 -4.880 10.461 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.720 -4.325 12.346 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.456 -4.648 12.404 1.00 0.00 H new ATOM 637 N TRP A 43 -4.455 -7.023 4.632 1.00 0.00 N ATOM 638 CA TRP A 43 -4.518 -7.618 3.302 1.00 0.00 C ATOM 639 C TRP A 43 -4.286 -6.565 2.223 1.00 0.00 C ATOM 640 O TRP A 43 -5.078 -5.635 2.070 1.00 0.00 O ATOM 641 CB TRP A 43 -5.872 -8.296 3.088 1.00 0.00 C ATOM 642 CG TRP A 43 -6.011 -8.931 1.737 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.986 -8.687 0.813 1.00 0.00 C ATOM 644 CD2 TRP A 43 -5.148 -9.918 1.161 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.781 -9.462 -0.303 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.659 -10.225 -0.115 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.992 -10.570 1.598 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -5.054 -11.156 -0.955 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.392 -11.494 0.763 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.924 -11.779 -0.501 1.00 0.00 C ATOM 0 H TRP A 43 -5.362 -6.899 5.082 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.729 -8.367 3.228 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -6.015 -9.057 3.856 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.664 -7.559 3.218 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.799 -7.988 0.940 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.369 -9.468 -1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.575 -10.356 2.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.462 -11.378 -1.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.498 -12.004 1.091 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.432 -12.506 -1.130 1.00 0.00 H new ATOM 661 N PHE A 44 -3.197 -6.717 1.478 1.00 0.00 N ATOM 662 CA PHE A 44 -2.861 -5.779 0.414 1.00 0.00 C ATOM 663 C PHE A 44 -3.218 -6.356 -0.953 1.00 0.00 C ATOM 664 O PHE A 44 -2.922 -7.514 -1.247 1.00 0.00 O ATOM 665 CB PHE A 44 -1.372 -5.433 0.460 1.00 0.00 C ATOM 666 CG PHE A 44 -1.054 -4.269 1.355 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.630 -4.167 2.611 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.180 -3.277 0.941 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.341 -3.096 3.436 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.114 -2.205 1.762 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.466 -2.115 3.012 1.00 0.00 C ATOM 0 H PHE A 44 -2.531 -7.482 1.592 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.443 -4.870 0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.815 -6.306 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.028 -5.209 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.312 -4.933 2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.277 -3.342 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.799 -3.026 4.412 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.797 -1.438 1.426 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.236 -1.280 3.657 1.00 0.00 H new ATOM 681 N VAL A 45 -3.857 -5.539 -1.785 1.00 0.00 N ATOM 682 CA VAL A 45 -4.254 -5.967 -3.121 1.00 0.00 C ATOM 683 C VAL A 45 -4.002 -4.869 -4.148 1.00 0.00 C ATOM 684 O VAL A 45 -4.385 -3.715 -3.946 1.00 0.00 O ATOM 685 CB VAL A 45 -5.742 -6.363 -3.164 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.104 -6.934 -4.527 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.060 -7.359 -2.059 1.00 0.00 C ATOM 0 H VAL A 45 -4.111 -4.578 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.646 -6.837 -3.368 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.343 -5.468 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.159 -7.208 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.915 -6.186 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.497 -7.818 -4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.115 -7.628 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.452 -8.254 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.841 -6.910 -1.090 1.00 0.00 H new ATOM 697 N LEU A 46 -3.357 -5.233 -5.250 1.00 0.00 N ATOM 698 CA LEU A 46 -3.053 -4.278 -6.310 1.00 0.00 C ATOM 699 C LEU A 46 -4.004 -4.455 -7.490 1.00 0.00 C ATOM 700 O LEU A 46 -3.975 -5.477 -8.177 1.00 0.00 O ATOM 701 CB LEU A 46 -1.606 -4.447 -6.777 1.00 0.00 C ATOM 702 CG LEU A 46 -1.093 -3.398 -7.764 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.885 -2.064 -7.064 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.200 -3.867 -8.416 1.00 0.00 C ATOM 0 H LEU A 46 -3.034 -6.183 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.183 -3.273 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.959 -4.439 -5.900 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.506 -5.430 -7.238 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.842 -3.263 -8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.520 -1.330 -7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.831 -1.722 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.155 -2.183 -6.263 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.551 -3.108 -9.115 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.956 -4.030 -7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.020 -4.799 -8.952 1.00 0.00 H new ATOM 716 N VAL A 47 -4.844 -3.452 -7.722 1.00 0.00 N ATOM 717 CA VAL A 47 -5.801 -3.494 -8.821 1.00 0.00 C ATOM 718 C VAL A 47 -5.921 -2.134 -9.498 1.00 0.00 C ATOM 719 O VAL A 47 -6.001 -1.102 -8.832 1.00 0.00 O ATOM 720 CB VAL A 47 -7.194 -3.938 -8.336 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.219 -3.793 -9.450 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.149 -5.370 -7.825 1.00 0.00 C ATOM 0 H VAL A 47 -4.881 -2.600 -7.163 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.425 -4.222 -9.540 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.495 -3.292 -7.512 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.197 -4.111 -9.088 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.270 -2.750 -9.764 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.926 -4.413 -10.297 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.142 -5.667 -7.486 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.826 -6.033 -8.628 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.447 -5.438 -6.994 1.00 0.00 H new ATOM 732 N ASP A 48 -5.933 -2.140 -10.827 1.00 0.00 N ATOM 733 CA ASP A 48 -6.044 -0.906 -11.596 1.00 0.00 C ATOM 734 C ASP A 48 -4.879 0.031 -11.293 1.00 0.00 C ATOM 735 O ASP A 48 -5.079 1.194 -10.942 1.00 0.00 O ATOM 736 CB ASP A 48 -7.370 -0.206 -11.289 1.00 0.00 C ATOM 737 CG ASP A 48 -7.790 0.746 -12.391 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.118 1.784 -12.567 1.00 0.00 O ATOM 739 OD2 ASP A 48 -8.791 0.453 -13.078 1.00 0.00 O ATOM 0 H ASP A 48 -5.867 -2.986 -11.394 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.014 -1.164 -12.655 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.148 -0.955 -11.144 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.279 0.344 -10.353 1.00 0.00 H new ATOM 744 N ARG A 49 -3.661 -0.484 -11.430 1.00 0.00 N ATOM 745 CA ARG A 49 -2.464 0.305 -11.169 1.00 0.00 C ATOM 746 C ARG A 49 -2.605 1.093 -9.870 1.00 0.00 C ATOM 747 O ARG A 49 -2.058 2.188 -9.734 1.00 0.00 O ATOM 748 CB ARG A 49 -2.195 1.262 -12.332 1.00 0.00 C ATOM 749 CG ARG A 49 -0.739 1.685 -12.448 1.00 0.00 C ATOM 750 CD ARG A 49 -0.398 2.122 -13.864 1.00 0.00 C ATOM 751 NE ARG A 49 -1.157 3.301 -14.271 1.00 0.00 N ATOM 752 CZ ARG A 49 -1.207 3.747 -15.521 1.00 0.00 C ATOM 753 NH1 ARG A 49 -0.546 3.115 -16.481 1.00 0.00 N ATOM 754 NH2 ARG A 49 -1.920 4.827 -15.814 1.00 0.00 N ATOM 0 H ARG A 49 -3.478 -1.445 -11.720 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.622 -0.380 -11.069 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.501 0.784 -13.263 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.814 2.151 -12.211 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.540 2.503 -11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.094 0.856 -12.156 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.669 2.337 -13.930 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.602 1.304 -14.555 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.677 3.810 -13.556 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.003 2.284 -16.260 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.586 3.460 -17.440 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.431 5.316 -15.079 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.957 5.168 -16.774 1.00 0.00 H new ATOM 768 N CYS A 50 -3.341 0.528 -8.919 1.00 0.00 N ATOM 769 CA CYS A 50 -3.555 1.178 -7.631 1.00 0.00 C ATOM 770 C CYS A 50 -3.460 0.169 -6.491 1.00 0.00 C ATOM 771 O CYS A 50 -3.683 -1.026 -6.685 1.00 0.00 O ATOM 772 CB CYS A 50 -4.919 1.869 -7.605 1.00 0.00 C ATOM 773 SG CYS A 50 -4.927 3.514 -8.356 1.00 0.00 S ATOM 0 H CYS A 50 -3.799 -0.378 -9.016 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.775 1.927 -7.495 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.643 1.241 -8.124 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.253 1.952 -6.571 1.00 0.00 H new ATOM 0 HG CYS A 50 -6.124 4.016 -8.288 1.00 0.00 H new ATOM 779 N LEU A 51 -3.128 0.658 -5.301 1.00 0.00 N ATOM 780 CA LEU A 51 -3.003 -0.200 -4.129 1.00 0.00 C ATOM 781 C LEU A 51 -4.246 -0.107 -3.250 1.00 0.00 C ATOM 782 O LEU A 51 -4.711 0.986 -2.927 1.00 0.00 O ATOM 783 CB LEU A 51 -1.763 0.185 -3.320 1.00 0.00 C ATOM 784 CG LEU A 51 -1.157 -0.920 -2.453 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.300 -0.615 -2.142 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.955 -1.087 -1.168 1.00 0.00 C ATOM 0 H LEU A 51 -2.941 1.645 -5.123 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.900 -1.229 -4.473 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.998 0.537 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.021 1.025 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.200 -1.857 -3.008 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.715 -1.412 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.864 -0.546 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.367 0.332 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.510 -1.877 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.943 -0.152 -0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.984 -1.352 -1.411 1.00 0.00 H new ATOM 798 N PHE A 52 -4.779 -1.262 -2.863 1.00 0.00 N ATOM 799 CA PHE A 52 -5.968 -1.311 -2.020 1.00 0.00 C ATOM 800 C PHE A 52 -5.764 -2.265 -0.847 1.00 0.00 C ATOM 801 O PHE A 52 -5.530 -3.459 -1.038 1.00 0.00 O ATOM 802 CB PHE A 52 -7.184 -1.746 -2.841 1.00 0.00 C ATOM 803 CG PHE A 52 -7.397 -0.922 -4.079 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.483 0.458 -4.003 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.512 -1.529 -5.319 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.679 1.219 -5.140 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.708 -0.774 -6.460 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.792 0.602 -6.370 1.00 0.00 C ATOM 0 H PHE A 52 -4.406 -2.176 -3.120 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.144 -0.310 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.065 -2.791 -3.126 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.075 -1.685 -2.216 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.396 0.946 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.448 -2.604 -5.395 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.744 2.295 -5.066 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.795 -1.259 -7.421 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.946 1.194 -7.260 1.00 0.00 H new ATOM 818 N TYR A 53 -5.853 -1.730 0.365 1.00 0.00 N ATOM 819 CA TYR A 53 -5.676 -2.532 1.570 1.00 0.00 C ATOM 820 C TYR A 53 -7.013 -2.781 2.261 1.00 0.00 C ATOM 821 O TYR A 53 -7.727 -1.841 2.613 1.00 0.00 O ATOM 822 CB TYR A 53 -4.712 -1.838 2.533 1.00 0.00 C ATOM 823 CG TYR A 53 -5.287 -0.595 3.173 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.167 0.646 2.559 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.952 -0.661 4.391 1.00 0.00 C ATOM 826 CE1 TYR A 53 -5.690 1.785 3.141 1.00 0.00 C ATOM 827 CE2 TYR A 53 -6.480 0.472 4.980 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.346 1.692 4.351 1.00 0.00 C ATOM 829 OH TYR A 53 -6.870 2.824 4.933 1.00 0.00 O ATOM 0 H TYR A 53 -6.047 -0.744 0.540 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.256 -3.494 1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.425 -2.540 3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.802 -1.572 1.995 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.656 0.722 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.058 -1.615 4.886 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -5.586 2.742 2.652 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.994 0.403 5.927 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.300 2.587 5.781 1.00 0.00 H new ATOM 839 N TYR A 54 -7.345 -4.052 2.452 1.00 0.00 N ATOM 840 CA TYR A 54 -8.597 -4.426 3.100 1.00 0.00 C ATOM 841 C TYR A 54 -8.340 -5.012 4.485 1.00 0.00 C ATOM 842 O TYR A 54 -7.214 -5.384 4.816 1.00 0.00 O ATOM 843 CB TYR A 54 -9.358 -5.437 2.240 1.00 0.00 C ATOM 844 CG TYR A 54 -9.682 -4.929 0.853 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.768 -5.057 -0.186 1.00 0.00 C ATOM 846 CD2 TYR A 54 -10.901 -4.321 0.581 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.060 -4.594 -1.455 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.202 -3.856 -0.684 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.278 -3.995 -1.699 1.00 0.00 C ATOM 850 OH TYR A 54 -10.572 -3.533 -2.961 1.00 0.00 O ATOM 0 H TYR A 54 -6.765 -4.841 2.168 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.201 -3.526 3.213 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.766 -6.348 2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.286 -5.706 2.745 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.813 -5.526 0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.627 -4.210 1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.338 -4.701 -2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.155 -3.386 -0.878 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.534 -3.361 -3.030 1.00 0.00 H new ATOM 860 N LYS A 55 -9.394 -5.091 5.291 1.00 0.00 N ATOM 861 CA LYS A 55 -9.286 -5.632 6.640 1.00 0.00 C ATOM 862 C LYS A 55 -8.876 -7.101 6.606 1.00 0.00 C ATOM 863 O LYS A 55 -8.139 -7.570 7.474 1.00 0.00 O ATOM 864 CB LYS A 55 -10.617 -5.480 7.381 1.00 0.00 C ATOM 865 CG LYS A 55 -11.777 -6.183 6.698 1.00 0.00 C ATOM 866 CD LYS A 55 -13.115 -5.683 7.216 1.00 0.00 C ATOM 867 CE LYS A 55 -14.251 -6.608 6.808 1.00 0.00 C ATOM 868 NZ LYS A 55 -15.552 -6.181 7.393 1.00 0.00 N ATOM 0 H LYS A 55 -10.333 -4.787 5.033 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.516 -5.070 7.169 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.508 -5.875 8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.851 -4.420 7.476 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.719 -6.021 5.622 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.700 -7.258 6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.080 -5.606 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.304 -4.681 6.831 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.331 -6.628 5.721 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.025 -7.625 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.300 -6.837 7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.485 -6.187 8.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.781 -5.221 7.066 1.00 0.00 H new ATOM 882 N ASP A 56 -9.357 -7.821 5.599 1.00 0.00 N ATOM 883 CA ASP A 56 -9.039 -9.237 5.450 1.00 0.00 C ATOM 884 C ASP A 56 -9.137 -9.665 3.990 1.00 0.00 C ATOM 885 O ASP A 56 -9.407 -8.848 3.110 1.00 0.00 O ATOM 886 CB ASP A 56 -9.979 -10.086 6.308 1.00 0.00 C ATOM 887 CG ASP A 56 -9.332 -11.375 6.773 1.00 0.00 C ATOM 888 OD1 ASP A 56 -8.226 -11.309 7.349 1.00 0.00 O ATOM 889 OD2 ASP A 56 -9.931 -12.451 6.561 1.00 0.00 O ATOM 0 H ASP A 56 -9.969 -7.448 4.873 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.014 -9.391 5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.295 -9.508 7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.877 -10.319 5.736 1.00 0.00 H new ATOM 894 N GLU A 57 -8.914 -10.952 3.739 1.00 0.00 N ATOM 895 CA GLU A 57 -8.975 -11.488 2.385 1.00 0.00 C ATOM 896 C GLU A 57 -10.388 -11.376 1.819 1.00 0.00 C ATOM 897 O GLU A 57 -10.594 -11.470 0.609 1.00 0.00 O ATOM 898 CB GLU A 57 -8.521 -12.949 2.369 1.00 0.00 C ATOM 899 CG GLU A 57 -7.278 -13.209 3.203 1.00 0.00 C ATOM 900 CD GLU A 57 -6.655 -14.561 2.915 1.00 0.00 C ATOM 901 OE1 GLU A 57 -6.487 -14.896 1.724 1.00 0.00 O ATOM 902 OE2 GLU A 57 -6.335 -15.284 3.882 1.00 0.00 O ATOM 0 H GLU A 57 -8.690 -11.642 4.456 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.304 -10.901 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.333 -13.577 2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.327 -13.249 1.339 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.545 -12.426 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.535 -13.150 4.260 1.00 0.00 H new ATOM 909 N LYS A 58 -11.359 -11.176 2.703 1.00 0.00 N ATOM 910 CA LYS A 58 -12.753 -11.051 2.295 1.00 0.00 C ATOM 911 C LYS A 58 -12.931 -9.894 1.317 1.00 0.00 C ATOM 912 O LYS A 58 -13.703 -9.989 0.364 1.00 0.00 O ATOM 913 CB LYS A 58 -13.647 -10.841 3.519 1.00 0.00 C ATOM 914 CG LYS A 58 -13.732 -12.057 4.426 1.00 0.00 C ATOM 915 CD LYS A 58 -14.666 -13.112 3.858 1.00 0.00 C ATOM 916 CE LYS A 58 -14.507 -14.443 4.578 1.00 0.00 C ATOM 917 NZ LYS A 58 -13.184 -15.068 4.301 1.00 0.00 N ATOM 0 H LYS A 58 -11.206 -11.097 3.708 1.00 0.00 H new ATOM 0 HA LYS A 58 -13.044 -11.975 1.795 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.269 -9.995 4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.650 -10.577 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.738 -12.483 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.082 -11.753 5.412 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.698 -12.771 3.945 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.463 -13.245 2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -14.619 -14.291 5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.302 -15.121 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.220 -16.079 4.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.954 -14.960 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.453 -14.602 4.875 1.00 0.00 H new ATOM 931 N GLU A 59 -12.212 -8.803 1.560 1.00 0.00 N ATOM 932 CA GLU A 59 -12.292 -7.628 0.700 1.00 0.00 C ATOM 933 C GLU A 59 -13.727 -7.119 0.606 1.00 0.00 C ATOM 934 O GLU A 59 -14.242 -6.883 -0.486 1.00 0.00 O ATOM 935 CB GLU A 59 -11.762 -7.956 -0.698 1.00 0.00 C ATOM 936 CG GLU A 59 -10.287 -8.321 -0.720 1.00 0.00 C ATOM 937 CD GLU A 59 -9.882 -9.033 -1.996 1.00 0.00 C ATOM 938 OE1 GLU A 59 -9.538 -8.343 -2.978 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.909 -10.282 -2.011 1.00 0.00 O ATOM 0 H GLU A 59 -11.568 -8.708 2.345 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.676 -6.844 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.339 -8.784 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.925 -7.098 -1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.691 -7.415 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.061 -8.959 0.135 1.00 0.00 H new ATOM 946 N GLU A 60 -14.367 -6.954 1.759 1.00 0.00 N ATOM 947 CA GLU A 60 -15.743 -6.475 1.807 1.00 0.00 C ATOM 948 C GLU A 60 -15.836 -5.036 1.306 1.00 0.00 C ATOM 949 O GLU A 60 -16.724 -4.695 0.525 1.00 0.00 O ATOM 950 CB GLU A 60 -16.290 -6.566 3.233 1.00 0.00 C ATOM 951 CG GLU A 60 -16.780 -7.954 3.609 1.00 0.00 C ATOM 952 CD GLU A 60 -18.196 -8.221 3.138 1.00 0.00 C ATOM 953 OE1 GLU A 60 -19.137 -7.670 3.748 1.00 0.00 O ATOM 954 OE2 GLU A 60 -18.364 -8.980 2.161 1.00 0.00 O ATOM 0 H GLU A 60 -13.955 -7.145 2.672 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.344 -7.109 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.511 -6.263 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -17.111 -5.858 3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.112 -8.700 3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.733 -8.071 4.692 1.00 0.00 H new ATOM 961 N SER A 61 -14.912 -4.196 1.762 1.00 0.00 N ATOM 962 CA SER A 61 -14.891 -2.794 1.365 1.00 0.00 C ATOM 963 C SER A 61 -13.486 -2.214 1.491 1.00 0.00 C ATOM 964 O SER A 61 -12.724 -2.593 2.381 1.00 0.00 O ATOM 965 CB SER A 61 -15.868 -1.985 2.221 1.00 0.00 C ATOM 966 OG SER A 61 -17.184 -2.498 2.117 1.00 0.00 O ATOM 0 H SER A 61 -14.168 -4.463 2.407 1.00 0.00 H new ATOM 0 HA SER A 61 -15.197 -2.733 0.321 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.547 -2.007 3.263 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.855 -0.942 1.905 1.00 0.00 H new ATOM 0 HG SER A 61 -17.788 -1.964 2.675 1.00 0.00 H new ATOM 972 N ILE A 62 -13.149 -1.293 0.595 1.00 0.00 N ATOM 973 CA ILE A 62 -11.837 -0.660 0.606 1.00 0.00 C ATOM 974 C ILE A 62 -11.712 0.327 1.762 1.00 0.00 C ATOM 975 O ILE A 62 -12.413 1.339 1.807 1.00 0.00 O ATOM 976 CB ILE A 62 -11.556 0.078 -0.717 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.624 -0.897 -1.894 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.197 0.760 -0.665 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.771 -0.215 -3.236 1.00 0.00 C ATOM 0 H ILE A 62 -13.767 -0.968 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.104 -1.457 0.731 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.319 0.843 -0.858 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.721 -1.507 -1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.465 -1.575 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.013 1.277 -1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.182 1.480 0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.421 0.012 -0.504 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.813 -0.967 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.689 0.373 -3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.918 0.441 -3.406 1.00 0.00 H new ATOM 991 N LEU A 63 -10.814 0.028 2.694 1.00 0.00 N ATOM 992 CA LEU A 63 -10.595 0.889 3.850 1.00 0.00 C ATOM 993 C LEU A 63 -9.867 2.168 3.447 1.00 0.00 C ATOM 994 O LEU A 63 -10.126 3.240 3.992 1.00 0.00 O ATOM 995 CB LEU A 63 -9.792 0.147 4.920 1.00 0.00 C ATOM 996 CG LEU A 63 -10.257 -1.273 5.244 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.242 -1.978 6.129 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.624 -1.246 5.914 1.00 0.00 C ATOM 0 H LEU A 63 -10.226 -0.805 2.671 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.568 1.160 4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.751 0.103 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.818 0.735 5.838 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.342 -1.829 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.590 -2.987 6.349 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.283 -2.029 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.124 -1.424 7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.940 -2.265 6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.564 -0.673 6.839 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.348 -0.780 5.245 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.956 2.046 2.486 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.206 3.199 2.024 1.00 0.00 C ATOM 1012 C GLY A 64 -7.475 2.932 0.724 1.00 0.00 C ATOM 1013 O GLY A 64 -6.770 1.932 0.594 1.00 0.00 O ATOM 0 H GLY A 64 -8.724 1.169 2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.886 4.040 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.486 3.491 2.789 1.00 0.00 H new ATOM 1017 N SER A 65 -7.644 3.829 -0.243 1.00 0.00 N ATOM 1018 CA SER A 65 -6.999 3.682 -1.542 1.00 0.00 C ATOM 1019 C SER A 65 -5.802 4.621 -1.663 1.00 0.00 C ATOM 1020 O SER A 65 -5.778 5.694 -1.061 1.00 0.00 O ATOM 1021 CB SER A 65 -7.998 3.964 -2.666 1.00 0.00 C ATOM 1022 OG SER A 65 -8.332 5.341 -2.719 1.00 0.00 O ATOM 0 H SER A 65 -8.222 4.664 -0.151 1.00 0.00 H new ATOM 0 HA SER A 65 -6.644 2.655 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.574 3.653 -3.620 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.901 3.373 -2.511 1.00 0.00 H new ATOM 0 HG SER A 65 -8.970 5.495 -3.447 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.811 4.207 -2.445 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.611 5.010 -2.647 1.00 0.00 C ATOM 1030 C ILE A 66 -3.045 4.811 -4.048 1.00 0.00 C ATOM 1031 O ILE A 66 -2.603 3.722 -4.417 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.523 4.666 -1.612 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -3.047 4.895 -0.193 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.273 5.496 -1.862 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.191 4.258 0.878 1.00 0.00 C ATOM 0 H ILE A 66 -4.815 3.320 -2.949 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.904 6.052 -2.522 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.263 3.613 -1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.110 5.967 -0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.060 4.499 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.513 5.242 -1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.891 5.287 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.517 6.555 -1.781 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.623 4.462 1.858 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.148 3.181 0.717 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.184 4.672 0.833 1.00 0.00 H new ATOM 1047 N PRO A 67 -3.056 5.887 -4.849 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.544 5.856 -6.223 1.00 0.00 C ATOM 1049 C PRO A 67 -1.027 5.712 -6.274 1.00 0.00 C ATOM 1050 O PRO A 67 -0.295 6.582 -5.800 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.972 7.212 -6.791 1.00 0.00 C ATOM 1052 CG PRO A 67 -3.100 8.098 -5.600 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.567 7.216 -4.475 1.00 0.00 C ATOM 0 HA PRO A 67 -2.929 5.003 -6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.234 7.598 -7.494 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.916 7.135 -7.331 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.146 8.567 -5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.812 8.902 -5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.168 7.544 -3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.653 7.219 -4.387 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.561 4.610 -6.850 1.00 0.00 N ATOM 1062 CA LEU A 68 0.870 4.352 -6.964 1.00 0.00 C ATOM 1063 C LEU A 68 1.442 5.001 -8.220 1.00 0.00 C ATOM 1064 O LEU A 68 2.622 5.350 -8.269 1.00 0.00 O ATOM 1065 CB LEU A 68 1.137 2.846 -6.987 1.00 0.00 C ATOM 1066 CG LEU A 68 0.890 2.100 -5.675 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.698 0.614 -5.934 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.040 2.331 -4.706 1.00 0.00 C ATOM 0 H LEU A 68 -1.154 3.880 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 68 1.363 4.788 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.512 2.398 -7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.174 2.686 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.023 2.489 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.523 0.100 -4.989 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.159 0.467 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.592 0.209 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.847 1.793 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.968 1.969 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.130 3.397 -4.495 1.00 0.00 H new ATOM 1080 N LEU A 69 0.599 5.160 -9.234 1.00 0.00 N ATOM 1081 CA LEU A 69 1.020 5.769 -10.491 1.00 0.00 C ATOM 1082 C LEU A 69 1.735 7.093 -10.241 1.00 0.00 C ATOM 1083 O LEU A 69 2.432 7.608 -11.116 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.189 5.993 -11.402 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.045 7.099 -12.448 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.949 6.690 -13.524 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.396 7.429 -13.064 1.00 0.00 C ATOM 0 H LEU A 69 -0.380 4.876 -9.211 1.00 0.00 H new ATOM 0 HA LEU A 69 1.716 5.088 -10.982 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.408 5.058 -11.918 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.052 6.222 -10.777 1.00 0.00 H new ATOM 0 HG LEU A 69 0.334 7.993 -11.954 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.038 7.489 -14.260 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.922 6.505 -13.069 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.600 5.782 -14.016 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.275 8.218 -13.806 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.804 6.539 -13.544 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.079 7.766 -12.284 1.00 0.00 H new ATOM 1099 N SER A 70 1.559 7.639 -9.042 1.00 0.00 N ATOM 1100 CA SER A 70 2.187 8.903 -8.677 1.00 0.00 C ATOM 1101 C SER A 70 3.369 8.673 -7.741 1.00 0.00 C ATOM 1102 O SER A 70 4.275 9.502 -7.652 1.00 0.00 O ATOM 1103 CB SER A 70 1.167 9.830 -8.012 1.00 0.00 C ATOM 1104 OG SER A 70 0.455 9.154 -6.990 1.00 0.00 O ATOM 0 H SER A 70 0.986 7.225 -8.306 1.00 0.00 H new ATOM 0 HA SER A 70 2.555 9.374 -9.589 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.678 10.696 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.468 10.204 -8.760 1.00 0.00 H new ATOM 0 HG SER A 70 -0.189 9.768 -6.579 1.00 0.00 H new ATOM 1110 N PHE A 71 3.352 7.542 -7.043 1.00 0.00 N ATOM 1111 CA PHE A 71 4.421 7.202 -6.112 1.00 0.00 C ATOM 1112 C PHE A 71 5.552 6.469 -6.826 1.00 0.00 C ATOM 1113 O PHE A 71 5.377 5.970 -7.938 1.00 0.00 O ATOM 1114 CB PHE A 71 3.877 6.338 -4.972 1.00 0.00 C ATOM 1115 CG PHE A 71 3.126 7.120 -3.933 1.00 0.00 C ATOM 1116 CD1 PHE A 71 1.931 7.746 -4.248 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.614 7.228 -2.641 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.238 8.467 -3.294 1.00 0.00 C ATOM 1119 CE2 PHE A 71 2.925 7.948 -1.682 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.735 8.567 -2.009 1.00 0.00 C ATOM 0 H PHE A 71 2.609 6.846 -7.105 1.00 0.00 H new ATOM 0 HA PHE A 71 4.818 8.129 -5.699 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.219 5.575 -5.387 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.707 5.817 -4.494 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.536 7.670 -5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.544 6.744 -2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.308 8.952 -3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.317 8.026 -0.679 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.194 9.128 -1.262 1.00 0.00 H new ATOM 1130 N ARG A 72 6.711 6.409 -6.180 1.00 0.00 N ATOM 1131 CA ARG A 72 7.872 5.738 -6.754 1.00 0.00 C ATOM 1132 C ARG A 72 8.461 4.733 -5.768 1.00 0.00 C ATOM 1133 O ARG A 72 9.544 4.945 -5.222 1.00 0.00 O ATOM 1134 CB ARG A 72 8.936 6.764 -7.150 1.00 0.00 C ATOM 1135 CG ARG A 72 9.198 7.813 -6.082 1.00 0.00 C ATOM 1136 CD ARG A 72 9.753 9.094 -6.685 1.00 0.00 C ATOM 1137 NE ARG A 72 11.164 8.966 -7.039 1.00 0.00 N ATOM 1138 CZ ARG A 72 12.158 9.159 -6.179 1.00 0.00 C ATOM 1139 NH1 ARG A 72 11.896 9.488 -4.921 1.00 0.00 N ATOM 1140 NH2 ARG A 72 13.416 9.024 -6.576 1.00 0.00 N ATOM 0 H ARG A 72 6.872 6.817 -5.259 1.00 0.00 H new ATOM 0 HA ARG A 72 7.547 5.200 -7.644 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.867 6.242 -7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.624 7.262 -8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.272 8.031 -5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.902 7.420 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.179 9.355 -7.574 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.630 9.912 -5.975 1.00 0.00 H new ATOM 0 HE ARG A 72 11.399 8.715 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.930 9.593 -4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.661 9.636 -4.263 1.00 0.00 H new ATOM 0 HH21 ARG A 72 13.621 8.772 -7.543 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.178 9.172 -5.915 1.00 0.00 H new ATOM 1154 N VAL A 73 7.741 3.638 -5.545 1.00 0.00 N ATOM 1155 CA VAL A 73 8.192 2.600 -4.627 1.00 0.00 C ATOM 1156 C VAL A 73 9.692 2.362 -4.761 1.00 0.00 C ATOM 1157 O VAL A 73 10.250 2.451 -5.854 1.00 0.00 O ATOM 1158 CB VAL A 73 7.449 1.273 -4.870 1.00 0.00 C ATOM 1159 CG1 VAL A 73 7.892 0.220 -3.866 1.00 0.00 C ATOM 1160 CG2 VAL A 73 5.944 1.486 -4.803 1.00 0.00 C ATOM 0 H VAL A 73 6.842 3.447 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 73 7.971 2.952 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 73 7.699 0.915 -5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.356 -0.710 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.964 0.048 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.674 0.566 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.434 0.538 -4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.674 1.868 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.644 2.205 -5.566 1.00 0.00 H new ATOM 1170 N ALA A 74 10.340 2.057 -3.641 1.00 0.00 N ATOM 1171 CA ALA A 74 11.775 1.803 -3.633 1.00 0.00 C ATOM 1172 C ALA A 74 12.230 1.263 -2.281 1.00 0.00 C ATOM 1173 O ALA A 74 11.900 1.823 -1.236 1.00 0.00 O ATOM 1174 CB ALA A 74 12.538 3.074 -3.980 1.00 0.00 C ATOM 0 H ALA A 74 9.893 1.980 -2.727 1.00 0.00 H new ATOM 0 HA ALA A 74 11.989 1.046 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.609 2.870 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.243 3.416 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.310 3.847 -3.247 1.00 0.00 H new ATOM 1180 N ALA A 75 12.988 0.172 -2.310 1.00 0.00 N ATOM 1181 CA ALA A 75 13.489 -0.442 -1.087 1.00 0.00 C ATOM 1182 C ALA A 75 14.013 0.612 -0.117 1.00 0.00 C ATOM 1183 O ALA A 75 14.192 1.773 -0.485 1.00 0.00 O ATOM 1184 CB ALA A 75 14.579 -1.452 -1.411 1.00 0.00 C ATOM 0 H ALA A 75 13.268 -0.305 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 75 12.660 -0.961 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 75 14.944 -1.902 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.174 -2.229 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.402 -0.949 -1.919 1.00 0.00 H new ATOM 1190 N VAL A 76 14.257 0.200 1.123 1.00 0.00 N ATOM 1191 CA VAL A 76 14.762 1.110 2.145 1.00 0.00 C ATOM 1192 C VAL A 76 16.285 1.159 2.133 1.00 0.00 C ATOM 1193 O VAL A 76 16.928 0.556 1.274 1.00 0.00 O ATOM 1194 CB VAL A 76 14.283 0.696 3.549 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.962 1.372 3.884 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.157 -0.817 3.645 1.00 0.00 C ATOM 0 H VAL A 76 14.113 -0.757 1.444 1.00 0.00 H new ATOM 0 HA VAL A 76 14.369 2.099 1.912 1.00 0.00 H new ATOM 0 HB VAL A 76 15.025 1.022 4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.640 1.067 4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.091 2.454 3.860 1.00 0.00 H new ATOM 0 HG13 VAL A 76 12.208 1.080 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.818 -1.091 4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.436 -1.170 2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.127 -1.276 3.453 1.00 0.00 H new ATOM 1206 N GLN A 77 16.856 1.880 3.093 1.00 0.00 N ATOM 1207 CA GLN A 77 18.305 2.008 3.192 1.00 0.00 C ATOM 1208 C GLN A 77 18.794 1.595 4.577 1.00 0.00 C ATOM 1209 O GLN A 77 18.060 1.653 5.564 1.00 0.00 O ATOM 1210 CB GLN A 77 18.733 3.446 2.895 1.00 0.00 C ATOM 1211 CG GLN A 77 18.531 3.853 1.444 1.00 0.00 C ATOM 1212 CD GLN A 77 17.167 4.466 1.195 1.00 0.00 C ATOM 1213 OE1 GLN A 77 16.613 5.149 2.058 1.00 0.00 O ATOM 1214 NE2 GLN A 77 16.616 4.225 0.011 1.00 0.00 N ATOM 0 H GLN A 77 16.338 2.384 3.813 1.00 0.00 H new ATOM 0 HA GLN A 77 18.755 1.343 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.169 4.124 3.536 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.785 3.564 3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.304 4.567 1.160 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.655 2.979 0.805 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.110 3.654 -0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.699 4.611 -0.213 1.00 0.00 H new ATOM 1223 N PRO A 78 20.063 1.168 4.654 1.00 0.00 N ATOM 1224 CA PRO A 78 20.679 0.737 5.912 1.00 0.00 C ATOM 1225 C PRO A 78 20.908 1.899 6.873 1.00 0.00 C ATOM 1226 O PRO A 78 21.426 1.714 7.974 1.00 0.00 O ATOM 1227 CB PRO A 78 22.015 0.139 5.467 1.00 0.00 C ATOM 1228 CG PRO A 78 22.322 0.817 4.176 1.00 0.00 C ATOM 1229 CD PRO A 78 20.995 1.073 3.518 1.00 0.00 C ATOM 0 HA PRO A 78 20.045 0.038 6.458 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.796 0.321 6.205 1.00 0.00 H new ATOM 0 HB3 PRO A 78 21.943 -0.941 5.340 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.861 1.749 4.343 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.955 0.191 3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 78 21.008 1.991 2.931 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.720 0.265 2.840 1.00 0.00 H new ATOM 1237 N SER A 79 20.520 3.097 6.448 1.00 0.00 N ATOM 1238 CA SER A 79 20.686 4.291 7.270 1.00 0.00 C ATOM 1239 C SER A 79 19.347 4.750 7.838 1.00 0.00 C ATOM 1240 O SER A 79 19.282 5.717 8.598 1.00 0.00 O ATOM 1241 CB SER A 79 21.319 5.416 6.449 1.00 0.00 C ATOM 1242 OG SER A 79 22.588 5.033 5.950 1.00 0.00 O ATOM 0 H SER A 79 20.089 3.267 5.540 1.00 0.00 H new ATOM 0 HA SER A 79 21.346 4.042 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.663 5.678 5.619 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.422 6.308 7.067 1.00 0.00 H new ATOM 0 HG SER A 79 22.970 5.769 5.428 1.00 0.00 H new ATOM 1248 N ASP A 80 18.282 4.051 7.464 1.00 0.00 N ATOM 1249 CA ASP A 80 16.943 4.386 7.936 1.00 0.00 C ATOM 1250 C ASP A 80 16.633 3.666 9.245 1.00 0.00 C ATOM 1251 O ASP A 80 17.334 2.732 9.632 1.00 0.00 O ATOM 1252 CB ASP A 80 15.900 4.020 6.879 1.00 0.00 C ATOM 1253 CG ASP A 80 15.624 5.160 5.919 1.00 0.00 C ATOM 1254 OD1 ASP A 80 16.596 5.790 5.452 1.00 0.00 O ATOM 1255 OD2 ASP A 80 14.437 5.423 5.635 1.00 0.00 O ATOM 0 H ASP A 80 18.319 3.249 6.835 1.00 0.00 H new ATOM 0 HA ASP A 80 16.906 5.461 8.115 1.00 0.00 H new ATOM 0 HB2 ASP A 80 16.245 3.152 6.318 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.972 3.732 7.373 1.00 0.00 H new ATOM 1260 N ASN A 81 15.579 4.109 9.923 1.00 0.00 N ATOM 1261 CA ASN A 81 15.177 3.508 11.190 1.00 0.00 C ATOM 1262 C ASN A 81 14.226 2.338 10.959 1.00 0.00 C ATOM 1263 O ASN A 81 13.175 2.245 11.595 1.00 0.00 O ATOM 1264 CB ASN A 81 14.510 4.554 12.085 1.00 0.00 C ATOM 1265 CG ASN A 81 15.513 5.506 12.709 1.00 0.00 C ATOM 1266 OD1 ASN A 81 15.843 5.391 13.890 1.00 0.00 O ATOM 1267 ND2 ASN A 81 16.003 6.452 11.916 1.00 0.00 N ATOM 0 H ASN A 81 14.988 4.882 9.616 1.00 0.00 H new ATOM 0 HA ASN A 81 16.072 3.133 11.686 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.789 5.123 11.498 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.952 4.050 12.874 1.00 0.00 H new ATOM 0 HD21 ASN A 81 16.682 7.121 12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.701 6.509 10.944 1.00 0.00 H new ATOM 1274 N ILE A 82 14.601 1.449 10.047 1.00 0.00 N ATOM 1275 CA ILE A 82 13.782 0.284 9.734 1.00 0.00 C ATOM 1276 C ILE A 82 14.224 -0.932 10.541 1.00 0.00 C ATOM 1277 O ILE A 82 15.406 -1.273 10.572 1.00 0.00 O ATOM 1278 CB ILE A 82 13.843 -0.060 8.234 1.00 0.00 C ATOM 1279 CG1 ILE A 82 13.437 1.152 7.393 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.944 -1.249 7.927 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.982 1.535 7.548 1.00 0.00 C ATOM 0 H ILE A 82 15.467 1.512 9.511 1.00 0.00 H new ATOM 0 HA ILE A 82 12.756 0.539 9.999 1.00 0.00 H new ATOM 0 HB ILE A 82 14.868 -0.328 7.979 1.00 0.00 H new ATOM 0 HG12 ILE A 82 14.060 2.002 7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 82 13.639 0.939 6.343 1.00 0.00 H new ATOM 0 HG21 ILE A 82 12.997 -1.480 6.863 1.00 0.00 H new ATOM 0 HG22 ILE A 82 13.274 -2.113 8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.916 -1.006 8.194 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.765 2.402 6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.351 0.700 7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.779 1.780 8.591 1.00 0.00 H new ATOM 1293 N SER A 83 13.265 -1.583 11.192 1.00 0.00 N ATOM 1294 CA SER A 83 13.555 -2.761 12.002 1.00 0.00 C ATOM 1295 C SER A 83 13.692 -4.002 11.126 1.00 0.00 C ATOM 1296 O SER A 83 14.532 -4.866 11.381 1.00 0.00 O ATOM 1297 CB SER A 83 12.454 -2.975 13.041 1.00 0.00 C ATOM 1298 OG SER A 83 12.479 -1.959 14.029 1.00 0.00 O ATOM 0 H SER A 83 12.281 -1.315 11.174 1.00 0.00 H new ATOM 0 HA SER A 83 14.502 -2.594 12.516 1.00 0.00 H new ATOM 0 HB2 SER A 83 11.482 -2.983 12.548 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.580 -3.949 13.514 1.00 0.00 H new ATOM 0 HG SER A 83 11.764 -2.118 14.680 1.00 0.00 H new ATOM 1304 N ARG A 84 12.861 -4.083 10.092 1.00 0.00 N ATOM 1305 CA ARG A 84 12.887 -5.219 9.178 1.00 0.00 C ATOM 1306 C ARG A 84 13.950 -5.026 8.101 1.00 0.00 C ATOM 1307 O ARG A 84 14.309 -3.898 7.763 1.00 0.00 O ATOM 1308 CB ARG A 84 11.516 -5.409 8.528 1.00 0.00 C ATOM 1309 CG ARG A 84 10.422 -5.790 9.513 1.00 0.00 C ATOM 1310 CD ARG A 84 9.732 -4.560 10.082 1.00 0.00 C ATOM 1311 NE ARG A 84 8.768 -4.905 11.122 1.00 0.00 N ATOM 1312 CZ ARG A 84 9.104 -5.147 12.385 1.00 0.00 C ATOM 1313 NH1 ARG A 84 10.373 -5.080 12.761 1.00 0.00 N ATOM 1314 NH2 ARG A 84 8.168 -5.455 13.274 1.00 0.00 N ATOM 0 H ARG A 84 12.162 -3.376 9.866 1.00 0.00 H new ATOM 0 HA ARG A 84 13.135 -6.111 9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.232 -4.486 8.022 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.590 -6.182 7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 84 9.687 -6.423 9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.851 -6.377 10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.480 -3.882 10.492 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.224 -4.026 9.279 1.00 0.00 H new ATOM 0 HE ARG A 84 7.782 -4.964 10.866 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.095 -4.842 12.081 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.628 -5.266 13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.190 -5.506 12.988 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.426 -5.641 14.243 1.00 0.00 H new ATOM 1328 N LYS A 85 14.451 -6.134 7.566 1.00 0.00 N ATOM 1329 CA LYS A 85 15.473 -6.088 6.526 1.00 0.00 C ATOM 1330 C LYS A 85 14.847 -5.833 5.159 1.00 0.00 C ATOM 1331 O LYS A 85 15.103 -4.806 4.530 1.00 0.00 O ATOM 1332 CB LYS A 85 16.263 -7.398 6.501 1.00 0.00 C ATOM 1333 CG LYS A 85 17.484 -7.390 7.404 1.00 0.00 C ATOM 1334 CD LYS A 85 18.582 -8.293 6.866 1.00 0.00 C ATOM 1335 CE LYS A 85 19.519 -7.537 5.937 1.00 0.00 C ATOM 1336 NZ LYS A 85 20.329 -6.524 6.669 1.00 0.00 N ATOM 0 H LYS A 85 14.166 -7.076 7.835 1.00 0.00 H new ATOM 0 HA LYS A 85 16.151 -5.266 6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.606 -8.214 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.579 -7.602 5.478 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.862 -6.372 7.497 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.200 -7.717 8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 85 19.151 -8.711 7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.136 -9.131 6.331 1.00 0.00 H new ATOM 0 HE2 LYS A 85 20.184 -8.243 5.439 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.938 -7.043 5.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.192 -6.313 6.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 19.773 -5.653 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.589 -6.897 7.604 1.00 0.00 H new ATOM 1350 N HIS A 86 14.023 -6.772 4.705 1.00 0.00 N ATOM 1351 CA HIS A 86 13.359 -6.648 3.413 1.00 0.00 C ATOM 1352 C HIS A 86 12.157 -5.713 3.508 1.00 0.00 C ATOM 1353 O HIS A 86 11.024 -6.158 3.694 1.00 0.00 O ATOM 1354 CB HIS A 86 12.913 -8.021 2.910 1.00 0.00 C ATOM 1355 CG HIS A 86 13.780 -9.145 3.390 1.00 0.00 C ATOM 1356 ND1 HIS A 86 15.055 -9.367 2.915 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.548 -10.111 4.309 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.570 -10.422 3.520 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.675 -10.892 4.371 1.00 0.00 N ATOM 0 H HIS A 86 13.799 -7.628 5.213 1.00 0.00 H new ATOM 0 HA HIS A 86 14.072 -6.225 2.705 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.887 -8.201 3.232 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.909 -8.016 1.820 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.645 -10.243 4.886 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.555 -10.831 3.348 1.00 0.00 H new ATOM 0 HE2 HIS A 86 14.801 -11.704 4.976 1.00 0.00 H new ATOM 1368 N THR A 87 12.411 -4.414 3.380 1.00 0.00 N ATOM 1369 CA THR A 87 11.351 -3.417 3.453 1.00 0.00 C ATOM 1370 C THR A 87 11.421 -2.452 2.275 1.00 0.00 C ATOM 1371 O THR A 87 12.464 -2.311 1.636 1.00 0.00 O ATOM 1372 CB THR A 87 11.426 -2.613 4.765 1.00 0.00 C ATOM 1373 OG1 THR A 87 11.091 -3.453 5.875 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.484 -1.419 4.723 1.00 0.00 C ATOM 0 H THR A 87 13.342 -4.028 3.225 1.00 0.00 H new ATOM 0 HA THR A 87 10.405 -3.958 3.420 1.00 0.00 H new ATOM 0 HB THR A 87 12.446 -2.247 4.883 1.00 0.00 H new ATOM 0 HG1 THR A 87 10.681 -2.913 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.555 -0.867 5.660 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.761 -0.766 3.895 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.461 -1.768 4.583 1.00 0.00 H new ATOM 1382 N PHE A 88 10.305 -1.790 1.991 1.00 0.00 N ATOM 1383 CA PHE A 88 10.239 -0.838 0.888 1.00 0.00 C ATOM 1384 C PHE A 88 9.171 0.221 1.146 1.00 0.00 C ATOM 1385 O PHE A 88 8.045 -0.097 1.528 1.00 0.00 O ATOM 1386 CB PHE A 88 9.946 -1.566 -0.425 1.00 0.00 C ATOM 1387 CG PHE A 88 8.672 -2.362 -0.397 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.539 -3.452 0.449 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.608 -2.021 -1.216 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.369 -4.186 0.476 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.435 -2.751 -1.193 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.315 -3.835 -0.345 1.00 0.00 C ATOM 0 H PHE A 88 9.433 -1.895 2.510 1.00 0.00 H new ATOM 0 HA PHE A 88 11.206 -0.341 0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.891 -0.835 -1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.777 -2.233 -0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.359 -3.730 1.094 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.696 -1.174 -1.881 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.278 -5.034 1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.613 -2.475 -1.837 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.399 -4.407 -0.324 1.00 0.00 H new ATOM 1402 N LYS A 89 9.533 1.482 0.935 1.00 0.00 N ATOM 1403 CA LYS A 89 8.608 2.589 1.143 1.00 0.00 C ATOM 1404 C LYS A 89 8.348 3.333 -0.163 1.00 0.00 C ATOM 1405 O LYS A 89 9.232 3.445 -1.011 1.00 0.00 O ATOM 1406 CB LYS A 89 9.164 3.556 2.191 1.00 0.00 C ATOM 1407 CG LYS A 89 10.285 4.439 1.670 1.00 0.00 C ATOM 1408 CD LYS A 89 11.648 3.817 1.924 1.00 0.00 C ATOM 1409 CE LYS A 89 12.751 4.583 1.209 1.00 0.00 C ATOM 1410 NZ LYS A 89 14.066 4.427 1.891 1.00 0.00 N ATOM 0 H LYS A 89 10.462 1.763 0.620 1.00 0.00 H new ATOM 0 HA LYS A 89 7.664 2.178 1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.354 4.188 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.530 2.984 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.153 4.604 0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.234 5.415 2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.849 3.803 2.995 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.645 2.781 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.831 4.230 0.181 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.489 5.640 1.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 14.599 5.318 1.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.912 4.188 2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.607 3.666 1.433 1.00 0.00 H new ATOM 1424 N ALA A 90 7.129 3.841 -0.316 1.00 0.00 N ATOM 1425 CA ALA A 90 6.754 4.577 -1.517 1.00 0.00 C ATOM 1426 C ALA A 90 6.547 6.057 -1.212 1.00 0.00 C ATOM 1427 O ALA A 90 5.976 6.412 -0.181 1.00 0.00 O ATOM 1428 CB ALA A 90 5.496 3.981 -2.130 1.00 0.00 C ATOM 0 H ALA A 90 6.385 3.756 0.377 1.00 0.00 H new ATOM 0 HA ALA A 90 7.570 4.492 -2.235 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.228 4.541 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.678 2.939 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.679 4.036 -1.410 1.00 0.00 H new ATOM 1434 N GLU A 91 7.014 6.914 -2.114 1.00 0.00 N ATOM 1435 CA GLU A 91 6.880 8.355 -1.938 1.00 0.00 C ATOM 1436 C GLU A 91 6.341 9.010 -3.206 1.00 0.00 C ATOM 1437 O GLU A 91 6.470 8.465 -4.303 1.00 0.00 O ATOM 1438 CB GLU A 91 8.230 8.973 -1.566 1.00 0.00 C ATOM 1439 CG GLU A 91 9.201 9.061 -2.730 1.00 0.00 C ATOM 1440 CD GLU A 91 10.021 7.798 -2.903 1.00 0.00 C ATOM 1441 OE1 GLU A 91 9.435 6.697 -2.843 1.00 0.00 O ATOM 1442 OE2 GLU A 91 11.250 7.910 -3.098 1.00 0.00 O ATOM 0 H GLU A 91 7.488 6.636 -2.973 1.00 0.00 H new ATOM 0 HA GLU A 91 6.172 8.532 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.064 9.973 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.683 8.382 -0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.646 9.258 -3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.871 9.907 -2.576 1.00 0.00 H new ATOM 1449 N HIS A 92 5.736 10.183 -3.049 1.00 0.00 N ATOM 1450 CA HIS A 92 5.176 10.913 -4.181 1.00 0.00 C ATOM 1451 C HIS A 92 5.887 12.250 -4.369 1.00 0.00 C ATOM 1452 O HIS A 92 5.563 13.013 -5.278 1.00 0.00 O ATOM 1453 CB HIS A 92 3.679 11.143 -3.976 1.00 0.00 C ATOM 1454 CG HIS A 92 3.019 11.844 -5.124 1.00 0.00 C ATOM 1455 ND1 HIS A 92 1.752 12.383 -5.048 1.00 0.00 N ATOM 1456 CD2 HIS A 92 3.458 12.094 -6.379 1.00 0.00 C ATOM 1457 CE1 HIS A 92 1.439 12.933 -6.208 1.00 0.00 C ATOM 1458 NE2 HIS A 92 2.458 12.772 -7.033 1.00 0.00 N ATOM 0 H HIS A 92 5.621 10.649 -2.149 1.00 0.00 H new ATOM 0 HA HIS A 92 5.324 10.313 -5.079 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.190 10.182 -3.818 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.530 11.729 -3.069 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.416 11.813 -6.790 1.00 0.00 H new ATOM 0 HE1 HIS A 92 0.509 13.429 -6.442 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.496 13.098 -7.999 1.00 0.00 H new ATOM 1467 N ALA A 93 6.858 12.526 -3.504 1.00 0.00 N ATOM 1468 CA ALA A 93 7.615 13.769 -3.577 1.00 0.00 C ATOM 1469 C ALA A 93 6.687 14.979 -3.558 1.00 0.00 C ATOM 1470 O ALA A 93 6.805 15.878 -4.389 1.00 0.00 O ATOM 1471 CB ALA A 93 8.482 13.787 -4.827 1.00 0.00 C ATOM 0 H ALA A 93 7.138 11.905 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 93 8.260 13.824 -2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.042 14.721 -4.868 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.178 12.948 -4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.849 13.704 -5.710 1.00 0.00 H new ATOM 1477 N GLY A 94 5.761 14.994 -2.604 1.00 0.00 N ATOM 1478 CA GLY A 94 4.825 16.098 -2.495 1.00 0.00 C ATOM 1479 C GLY A 94 3.717 15.824 -1.498 1.00 0.00 C ATOM 1480 O GLY A 94 3.332 16.704 -0.729 1.00 0.00 O ATOM 0 H GLY A 94 5.642 14.261 -1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.363 16.998 -2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.388 16.297 -3.473 1.00 0.00 H new ATOM 1484 N VAL A 95 3.201 14.599 -1.512 1.00 0.00 N ATOM 1485 CA VAL A 95 2.130 14.210 -0.602 1.00 0.00 C ATOM 1486 C VAL A 95 2.690 13.602 0.679 1.00 0.00 C ATOM 1487 O VAL A 95 2.681 14.235 1.735 1.00 0.00 O ATOM 1488 CB VAL A 95 1.173 13.200 -1.261 1.00 0.00 C ATOM 1489 CG1 VAL A 95 0.071 12.797 -0.293 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.585 13.779 -2.539 1.00 0.00 C ATOM 0 H VAL A 95 3.507 13.859 -2.144 1.00 0.00 H new ATOM 0 HA VAL A 95 1.577 15.117 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 95 1.740 12.306 -1.521 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.595 12.083 -0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.513 12.339 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.496 13.680 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.089 13.052 -2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.033 14.689 -2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.389 14.011 -3.237 1.00 0.00 H new ATOM 1500 N ARG A 96 3.178 12.370 0.578 1.00 0.00 N ATOM 1501 CA ARG A 96 3.742 11.674 1.728 1.00 0.00 C ATOM 1502 C ARG A 96 4.538 10.449 1.287 1.00 0.00 C ATOM 1503 O ARG A 96 4.678 10.183 0.093 1.00 0.00 O ATOM 1504 CB ARG A 96 2.631 11.255 2.693 1.00 0.00 C ATOM 1505 CG ARG A 96 1.913 9.981 2.277 1.00 0.00 C ATOM 1506 CD ARG A 96 0.689 9.724 3.142 1.00 0.00 C ATOM 1507 NE ARG A 96 -0.396 10.655 2.846 1.00 0.00 N ATOM 1508 CZ ARG A 96 -1.468 10.803 3.617 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -1.597 10.085 4.724 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -2.413 11.671 3.281 1.00 0.00 N ATOM 0 H ARG A 96 3.194 11.833 -0.289 1.00 0.00 H new ATOM 0 HA ARG A 96 4.418 12.359 2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.058 11.114 3.686 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.904 12.063 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.612 10.056 1.232 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.597 9.136 2.352 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.343 8.702 2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.964 9.810 4.193 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.327 11.223 2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.872 9.417 4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.421 10.201 5.314 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.317 12.225 2.430 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.236 11.784 3.873 1.00 0.00 H new ATOM 1524 N THR A 97 5.057 9.706 2.259 1.00 0.00 N ATOM 1525 CA THR A 97 5.839 8.510 1.972 1.00 0.00 C ATOM 1526 C THR A 97 5.346 7.321 2.788 1.00 0.00 C ATOM 1527 O THR A 97 5.534 7.269 4.004 1.00 0.00 O ATOM 1528 CB THR A 97 7.335 8.734 2.264 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.804 9.890 1.562 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.154 7.519 1.856 1.00 0.00 C ATOM 0 H THR A 97 4.950 9.911 3.252 1.00 0.00 H new ATOM 0 HA THR A 97 5.711 8.296 0.911 1.00 0.00 H new ATOM 0 HB THR A 97 7.454 8.889 3.336 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.755 10.026 1.755 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.207 7.701 2.072 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.814 6.647 2.415 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.028 7.337 0.789 1.00 0.00 H new ATOM 1538 N TYR A 98 4.715 6.367 2.113 1.00 0.00 N ATOM 1539 CA TYR A 98 4.192 5.179 2.776 1.00 0.00 C ATOM 1540 C TYR A 98 5.274 4.111 2.913 1.00 0.00 C ATOM 1541 O TYR A 98 6.221 4.067 2.128 1.00 0.00 O ATOM 1542 CB TYR A 98 3.001 4.617 1.999 1.00 0.00 C ATOM 1543 CG TYR A 98 1.690 5.296 2.325 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.056 5.079 3.542 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.087 6.157 1.417 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.142 5.697 3.844 1.00 0.00 C ATOM 1547 CE2 TYR A 98 -0.110 6.781 1.711 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.721 6.547 2.925 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.914 7.166 3.222 1.00 0.00 O ATOM 0 H TYR A 98 4.553 6.393 1.106 1.00 0.00 H new ATOM 0 HA TYR A 98 3.862 5.467 3.774 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.196 4.715 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.911 3.551 2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.508 4.416 4.265 1.00 0.00 H new ATOM 0 HD2 TYR A 98 1.562 6.342 0.465 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.622 5.516 4.794 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.565 7.448 0.994 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.185 7.732 2.469 1.00 0.00 H new ATOM 1559 N PHE A 99 5.125 3.252 3.915 1.00 0.00 N ATOM 1560 CA PHE A 99 6.088 2.184 4.156 1.00 0.00 C ATOM 1561 C PHE A 99 5.415 0.817 4.078 1.00 0.00 C ATOM 1562 O PHE A 99 4.229 0.678 4.376 1.00 0.00 O ATOM 1563 CB PHE A 99 6.748 2.362 5.525 1.00 0.00 C ATOM 1564 CG PHE A 99 7.887 3.342 5.519 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.649 4.701 5.639 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.195 2.902 5.392 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.695 5.605 5.634 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.244 3.801 5.386 1.00 0.00 C ATOM 1569 CZ PHE A 99 9.994 5.154 5.506 1.00 0.00 C ATOM 0 H PHE A 99 4.346 3.274 4.574 1.00 0.00 H new ATOM 0 HA PHE A 99 6.853 2.238 3.382 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.997 2.695 6.241 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.113 1.395 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.635 5.059 5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.396 1.845 5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.497 6.662 5.730 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.259 3.446 5.288 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.813 5.858 5.500 1.00 0.00 H new ATOM 1579 N PHE A 100 6.181 -0.191 3.673 1.00 0.00 N ATOM 1580 CA PHE A 100 5.660 -1.548 3.554 1.00 0.00 C ATOM 1581 C PHE A 100 6.778 -2.575 3.703 1.00 0.00 C ATOM 1582 O PHE A 100 7.701 -2.627 2.889 1.00 0.00 O ATOM 1583 CB PHE A 100 4.961 -1.731 2.205 1.00 0.00 C ATOM 1584 CG PHE A 100 3.982 -0.638 1.884 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.800 -0.517 2.597 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.243 0.268 0.869 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.897 0.488 2.305 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.344 1.275 0.573 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.169 1.385 1.291 1.00 0.00 C ATOM 0 H PHE A 100 7.165 -0.094 3.422 1.00 0.00 H new ATOM 0 HA PHE A 100 4.938 -1.705 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.714 -1.776 1.418 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.439 -2.688 2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.582 -1.216 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.159 0.186 0.303 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.980 0.572 2.869 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.560 1.976 -0.220 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.465 2.171 1.060 1.00 0.00 H new ATOM 1599 N SER A 101 6.689 -3.390 4.749 1.00 0.00 N ATOM 1600 CA SER A 101 7.695 -4.414 5.009 1.00 0.00 C ATOM 1601 C SER A 101 7.174 -5.796 4.627 1.00 0.00 C ATOM 1602 O SER A 101 5.966 -6.020 4.559 1.00 0.00 O ATOM 1603 CB SER A 101 8.099 -4.399 6.484 1.00 0.00 C ATOM 1604 OG SER A 101 9.117 -5.350 6.744 1.00 0.00 O ATOM 0 H SER A 101 5.931 -3.361 5.431 1.00 0.00 H new ATOM 0 HA SER A 101 8.570 -4.193 4.398 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.448 -3.404 6.758 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.229 -4.614 7.105 1.00 0.00 H new ATOM 0 HG SER A 101 9.970 -5.020 6.392 1.00 0.00 H new ATOM 1610 N ALA A 102 8.096 -6.721 4.378 1.00 0.00 N ATOM 1611 CA ALA A 102 7.732 -8.082 4.005 1.00 0.00 C ATOM 1612 C ALA A 102 8.458 -9.102 4.874 1.00 0.00 C ATOM 1613 O ALA A 102 9.589 -8.874 5.301 1.00 0.00 O ATOM 1614 CB ALA A 102 8.038 -8.325 2.534 1.00 0.00 C ATOM 0 H ALA A 102 9.101 -6.552 4.428 1.00 0.00 H new ATOM 0 HA ALA A 102 6.661 -8.203 4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.761 -9.345 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.469 -7.624 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.103 -8.180 2.355 1.00 0.00 H new ATOM 1620 N GLU A 103 7.799 -10.228 5.133 1.00 0.00 N ATOM 1621 CA GLU A 103 8.383 -11.282 5.954 1.00 0.00 C ATOM 1622 C GLU A 103 9.572 -11.926 5.247 1.00 0.00 C ATOM 1623 O GLU A 103 10.603 -12.195 5.863 1.00 0.00 O ATOM 1624 CB GLU A 103 7.333 -12.346 6.280 1.00 0.00 C ATOM 1625 CG GLU A 103 6.035 -11.773 6.825 1.00 0.00 C ATOM 1626 CD GLU A 103 5.070 -11.368 5.728 1.00 0.00 C ATOM 1627 OE1 GLU A 103 4.415 -12.262 5.154 1.00 0.00 O ATOM 1628 OE2 GLU A 103 4.970 -10.155 5.445 1.00 0.00 O ATOM 0 H GLU A 103 6.862 -10.433 4.786 1.00 0.00 H new ATOM 0 HA GLU A 103 8.734 -10.832 6.882 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.117 -12.920 5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.748 -13.042 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.558 -12.512 7.469 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.258 -10.906 7.446 1.00 0.00 H new ATOM 1635 N SER A 104 9.420 -12.172 3.950 1.00 0.00 N ATOM 1636 CA SER A 104 10.479 -12.788 3.159 1.00 0.00 C ATOM 1637 C SER A 104 10.932 -11.857 2.039 1.00 0.00 C ATOM 1638 O SER A 104 10.178 -11.013 1.554 1.00 0.00 O ATOM 1639 CB SER A 104 9.997 -14.116 2.570 1.00 0.00 C ATOM 1640 OG SER A 104 9.700 -15.050 3.594 1.00 0.00 O ATOM 0 H SER A 104 8.574 -11.954 3.424 1.00 0.00 H new ATOM 0 HA SER A 104 11.328 -12.976 3.817 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.110 -13.946 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.763 -14.525 1.911 1.00 0.00 H new ATOM 0 HG SER A 104 9.393 -15.889 3.192 1.00 0.00 H new ATOM 1646 N PRO A 105 12.196 -12.013 1.617 1.00 0.00 N ATOM 1647 CA PRO A 105 12.780 -11.196 0.549 1.00 0.00 C ATOM 1648 C PRO A 105 12.181 -11.513 -0.817 1.00 0.00 C ATOM 1649 O PRO A 105 12.246 -10.698 -1.737 1.00 0.00 O ATOM 1650 CB PRO A 105 14.263 -11.574 0.583 1.00 0.00 C ATOM 1651 CG PRO A 105 14.291 -12.944 1.169 1.00 0.00 C ATOM 1652 CD PRO A 105 13.152 -12.999 2.149 1.00 0.00 C ATOM 0 HA PRO A 105 12.593 -10.133 0.701 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.698 -11.562 -0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.837 -10.872 1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.176 -13.702 0.394 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.242 -13.137 1.665 1.00 0.00 H new ATOM 0 HD2 PRO A 105 12.714 -13.996 2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.476 -12.741 3.157 1.00 0.00 H new ATOM 1660 N GLU A 106 11.598 -12.701 -0.941 1.00 0.00 N ATOM 1661 CA GLU A 106 10.988 -13.124 -2.196 1.00 0.00 C ATOM 1662 C GLU A 106 9.688 -12.367 -2.452 1.00 0.00 C ATOM 1663 O GLU A 106 9.183 -12.342 -3.573 1.00 0.00 O ATOM 1664 CB GLU A 106 10.718 -14.630 -2.176 1.00 0.00 C ATOM 1665 CG GLU A 106 11.954 -15.473 -2.442 1.00 0.00 C ATOM 1666 CD GLU A 106 11.619 -16.827 -3.038 1.00 0.00 C ATOM 1667 OE1 GLU A 106 11.084 -16.863 -4.166 1.00 0.00 O ATOM 1668 OE2 GLU A 106 11.894 -17.850 -2.377 1.00 0.00 O ATOM 0 H GLU A 106 11.535 -13.387 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 106 11.685 -12.898 -3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.304 -14.904 -1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.960 -14.865 -2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.617 -14.936 -3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.500 -15.616 -1.509 1.00 0.00 H new ATOM 1675 N GLU A 107 9.152 -11.752 -1.402 1.00 0.00 N ATOM 1676 CA GLU A 107 7.910 -10.995 -1.513 1.00 0.00 C ATOM 1677 C GLU A 107 8.193 -9.525 -1.805 1.00 0.00 C ATOM 1678 O GLU A 107 7.629 -8.947 -2.733 1.00 0.00 O ATOM 1679 CB GLU A 107 7.093 -11.123 -0.225 1.00 0.00 C ATOM 1680 CG GLU A 107 6.223 -12.368 -0.178 1.00 0.00 C ATOM 1681 CD GLU A 107 5.191 -12.317 0.933 1.00 0.00 C ATOM 1682 OE1 GLU A 107 4.259 -11.491 0.840 1.00 0.00 O ATOM 1683 OE2 GLU A 107 5.317 -13.103 1.895 1.00 0.00 O ATOM 0 H GLU A 107 9.558 -11.763 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 107 7.335 -11.408 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.773 -11.132 0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.459 -10.243 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.715 -12.488 -1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.856 -13.244 -0.041 1.00 0.00 H new ATOM 1690 N GLN A 108 9.070 -8.927 -1.004 1.00 0.00 N ATOM 1691 CA GLN A 108 9.427 -7.523 -1.176 1.00 0.00 C ATOM 1692 C GLN A 108 9.812 -7.233 -2.623 1.00 0.00 C ATOM 1693 O GLN A 108 9.258 -6.333 -3.253 1.00 0.00 O ATOM 1694 CB GLN A 108 10.581 -7.151 -0.244 1.00 0.00 C ATOM 1695 CG GLN A 108 11.167 -5.776 -0.520 1.00 0.00 C ATOM 1696 CD GLN A 108 12.604 -5.650 -0.056 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.349 -6.631 -0.030 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.004 -4.439 0.314 1.00 0.00 N ATOM 0 H GLN A 108 9.546 -9.392 -0.231 1.00 0.00 H new ATOM 0 HA GLN A 108 8.556 -6.919 -0.923 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.230 -7.187 0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.369 -7.898 -0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.115 -5.571 -1.589 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.561 -5.020 -0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.354 -3.654 0.277 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.961 -4.294 0.635 1.00 0.00 H new ATOM 1707 N GLU A 109 10.765 -8.000 -3.142 1.00 0.00 N ATOM 1708 CA GLU A 109 11.225 -7.823 -4.514 1.00 0.00 C ATOM 1709 C GLU A 109 10.073 -7.996 -5.500 1.00 0.00 C ATOM 1710 O GLU A 109 9.860 -7.157 -6.375 1.00 0.00 O ATOM 1711 CB GLU A 109 12.340 -8.821 -4.835 1.00 0.00 C ATOM 1712 CG GLU A 109 11.832 -10.150 -5.367 1.00 0.00 C ATOM 1713 CD GLU A 109 12.956 -11.092 -5.754 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.626 -11.623 -4.843 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.166 -11.297 -6.968 1.00 0.00 O ATOM 0 H GLU A 109 11.233 -8.750 -2.633 1.00 0.00 H new ATOM 0 HA GLU A 109 11.615 -6.810 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.012 -8.378 -5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.926 -9.000 -3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.209 -10.626 -4.610 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.198 -9.971 -6.235 1.00 0.00 H new ATOM 1722 N ALA A 110 9.334 -9.091 -5.352 1.00 0.00 N ATOM 1723 CA ALA A 110 8.204 -9.374 -6.228 1.00 0.00 C ATOM 1724 C ALA A 110 7.177 -8.248 -6.179 1.00 0.00 C ATOM 1725 O ALA A 110 6.544 -7.930 -7.186 1.00 0.00 O ATOM 1726 CB ALA A 110 7.558 -10.697 -5.844 1.00 0.00 C ATOM 0 H ALA A 110 9.498 -9.796 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 110 8.576 -9.447 -7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.715 -10.896 -6.506 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.290 -11.500 -5.936 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.205 -10.644 -4.814 1.00 0.00 H new ATOM 1732 N TRP A 111 7.017 -7.650 -5.005 1.00 0.00 N ATOM 1733 CA TRP A 111 6.065 -6.559 -4.826 1.00 0.00 C ATOM 1734 C TRP A 111 6.546 -5.295 -5.531 1.00 0.00 C ATOM 1735 O TRP A 111 5.763 -4.594 -6.171 1.00 0.00 O ATOM 1736 CB TRP A 111 5.853 -6.279 -3.338 1.00 0.00 C ATOM 1737 CG TRP A 111 4.734 -7.074 -2.737 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.845 -8.094 -1.835 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.334 -6.917 -2.997 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.599 -8.580 -1.519 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.656 -7.874 -2.217 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.589 -6.059 -3.810 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.269 -7.996 -2.230 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.213 -6.182 -3.821 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.564 -7.143 -3.035 1.00 0.00 C ATOM 0 H TRP A 111 7.534 -7.901 -4.162 1.00 0.00 H new ATOM 0 HA TRP A 111 5.117 -6.861 -5.270 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.775 -6.498 -2.800 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.649 -5.217 -3.201 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.775 -8.464 -1.430 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.408 -9.343 -0.870 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.080 -5.314 -4.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.767 -8.738 -1.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.627 -5.525 -4.447 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.513 -7.212 -3.065 1.00 0.00 H new ATOM 1756 N ILE A 112 7.839 -5.011 -5.409 1.00 0.00 N ATOM 1757 CA ILE A 112 8.423 -3.832 -6.035 1.00 0.00 C ATOM 1758 C ILE A 112 8.277 -3.886 -7.552 1.00 0.00 C ATOM 1759 O ILE A 112 7.988 -2.876 -8.194 1.00 0.00 O ATOM 1760 CB ILE A 112 9.915 -3.687 -5.680 1.00 0.00 C ATOM 1761 CG1 ILE A 112 10.078 -3.357 -4.195 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.562 -2.612 -6.541 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.514 -3.400 -3.720 1.00 0.00 C ATOM 0 H ILE A 112 8.501 -5.581 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 112 7.880 -2.969 -5.650 1.00 0.00 H new ATOM 0 HB ILE A 112 10.415 -4.635 -5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.671 -2.364 -4.005 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.488 -4.061 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.616 -2.521 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.472 -2.885 -7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.062 -1.659 -6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.554 -3.156 -2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.920 -4.399 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.105 -2.676 -4.281 1.00 0.00 H new ATOM 1775 N GLN A 113 8.476 -5.072 -8.119 1.00 0.00 N ATOM 1776 CA GLN A 113 8.364 -5.258 -9.560 1.00 0.00 C ATOM 1777 C GLN A 113 7.021 -4.749 -10.073 1.00 0.00 C ATOM 1778 O GLN A 113 6.957 -4.035 -11.073 1.00 0.00 O ATOM 1779 CB GLN A 113 8.534 -6.735 -9.920 1.00 0.00 C ATOM 1780 CG GLN A 113 9.886 -7.306 -9.523 1.00 0.00 C ATOM 1781 CD GLN A 113 10.339 -8.425 -10.440 1.00 0.00 C ATOM 1782 OE1 GLN A 113 11.285 -8.265 -11.212 1.00 0.00 O ATOM 1783 NE2 GLN A 113 9.666 -9.566 -10.359 1.00 0.00 N ATOM 0 H GLN A 113 8.716 -5.918 -7.602 1.00 0.00 H new ATOM 0 HA GLN A 113 9.156 -4.681 -10.037 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.748 -7.312 -9.433 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.399 -6.856 -10.995 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.630 -6.509 -9.533 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.833 -7.679 -8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.888 -9.654 -9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.926 -10.355 -10.951 1.00 0.00 H new ATOM 1792 N ALA A 114 5.949 -5.123 -9.381 1.00 0.00 N ATOM 1793 CA ALA A 114 4.607 -4.703 -9.765 1.00 0.00 C ATOM 1794 C ALA A 114 4.336 -3.266 -9.331 1.00 0.00 C ATOM 1795 O ALA A 114 3.934 -2.430 -10.138 1.00 0.00 O ATOM 1796 CB ALA A 114 3.569 -5.642 -9.167 1.00 0.00 C ATOM 0 H ALA A 114 5.984 -5.716 -8.552 1.00 0.00 H new ATOM 0 HA ALA A 114 4.537 -4.746 -10.852 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.571 -5.317 -9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.742 -6.655 -9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.649 -5.628 -8.080 1.00 0.00 H new ATOM 1802 N MET A 115 4.559 -2.988 -8.050 1.00 0.00 N ATOM 1803 CA MET A 115 4.339 -1.652 -7.510 1.00 0.00 C ATOM 1804 C MET A 115 5.275 -0.640 -8.164 1.00 0.00 C ATOM 1805 O MET A 115 4.827 0.308 -8.808 1.00 0.00 O ATOM 1806 CB MET A 115 4.546 -1.651 -5.994 1.00 0.00 C ATOM 1807 CG MET A 115 3.320 -2.094 -5.213 1.00 0.00 C ATOM 1808 SD MET A 115 3.331 -1.502 -3.509 1.00 0.00 S ATOM 1809 CE MET A 115 2.901 -3.001 -2.628 1.00 0.00 C ATOM 0 H MET A 115 4.891 -3.670 -7.368 1.00 0.00 H new ATOM 0 HA MET A 115 3.311 -1.363 -7.729 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.380 -2.309 -5.749 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.827 -0.647 -5.675 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.423 -1.730 -5.714 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.266 -3.183 -5.215 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.763 -2.775 -1.571 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.976 -3.410 -3.035 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.702 -3.732 -2.741 1.00 0.00 H new ATOM 1819 N GLY A 116 6.577 -0.847 -7.992 1.00 0.00 N ATOM 1820 CA GLY A 116 7.554 0.055 -8.571 1.00 0.00 C ATOM 1821 C GLY A 116 7.237 0.408 -10.011 1.00 0.00 C ATOM 1822 O GLY A 116 7.221 1.581 -10.380 1.00 0.00 O ATOM 0 H GLY A 116 6.972 -1.624 -7.462 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.597 0.968 -7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.541 -0.404 -8.522 1.00 0.00 H new ATOM 1826 N GLU A 117 6.985 -0.612 -10.827 1.00 0.00 N ATOM 1827 CA GLU A 117 6.669 -0.403 -12.235 1.00 0.00 C ATOM 1828 C GLU A 117 5.322 0.296 -12.392 1.00 0.00 C ATOM 1829 O GLU A 117 5.215 1.314 -13.074 1.00 0.00 O ATOM 1830 CB GLU A 117 6.654 -1.739 -12.981 1.00 0.00 C ATOM 1831 CG GLU A 117 8.040 -2.278 -13.291 1.00 0.00 C ATOM 1832 CD GLU A 117 8.012 -3.418 -14.290 1.00 0.00 C ATOM 1833 OE1 GLU A 117 7.393 -4.459 -13.985 1.00 0.00 O ATOM 1834 OE2 GLU A 117 8.609 -3.270 -15.377 1.00 0.00 O ATOM 0 H GLU A 117 6.994 -1.590 -10.537 1.00 0.00 H new ATOM 0 HA GLU A 117 7.442 0.235 -12.664 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.113 -2.473 -12.384 1.00 0.00 H new ATOM 0 HB3 GLU A 117 6.103 -1.619 -13.914 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.660 -1.472 -13.683 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.508 -2.620 -12.368 1.00 0.00 H new ATOM 1841 N ALA A 118 4.296 -0.261 -11.757 1.00 0.00 N ATOM 1842 CA ALA A 118 2.955 0.308 -11.825 1.00 0.00 C ATOM 1843 C ALA A 118 2.950 1.758 -11.351 1.00 0.00 C ATOM 1844 O ALA A 118 2.070 2.537 -11.716 1.00 0.00 O ATOM 1845 CB ALA A 118 1.986 -0.523 -10.997 1.00 0.00 C ATOM 0 H ALA A 118 4.368 -1.106 -11.190 1.00 0.00 H new ATOM 0 HA ALA A 118 2.632 0.292 -12.866 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.989 -0.086 -11.057 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.960 -1.542 -11.382 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.314 -0.536 -9.958 1.00 0.00 H new ATOM 1851 N ALA A 119 3.937 2.113 -10.535 1.00 0.00 N ATOM 1852 CA ALA A 119 4.046 3.469 -10.012 1.00 0.00 C ATOM 1853 C ALA A 119 4.679 4.403 -11.038 1.00 0.00 C ATOM 1854 O ALA A 119 4.348 5.587 -11.100 1.00 0.00 O ATOM 1855 CB ALA A 119 4.853 3.474 -8.723 1.00 0.00 C ATOM 0 H ALA A 119 4.673 1.480 -10.222 1.00 0.00 H new ATOM 0 HA ALA A 119 3.041 3.832 -9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.926 4.493 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.359 2.846 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.853 3.087 -8.918 1.00 0.00 H new ATOM 1861 N ARG A 120 5.590 3.863 -11.841 1.00 0.00 N ATOM 1862 CA ARG A 120 6.270 4.650 -12.863 1.00 0.00 C ATOM 1863 C ARG A 120 5.285 5.554 -13.598 1.00 0.00 C ATOM 1864 O ARG A 120 4.194 5.124 -13.976 1.00 0.00 O ATOM 1865 CB ARG A 120 6.976 3.729 -13.860 1.00 0.00 C ATOM 1866 CG ARG A 120 6.085 3.275 -15.005 1.00 0.00 C ATOM 1867 CD ARG A 120 6.671 2.068 -15.721 1.00 0.00 C ATOM 1868 NE ARG A 120 5.828 1.627 -16.830 1.00 0.00 N ATOM 1869 CZ ARG A 120 5.975 0.460 -17.446 1.00 0.00 C ATOM 1870 NH1 ARG A 120 6.926 -0.381 -17.062 1.00 0.00 N ATOM 1871 NH2 ARG A 120 5.169 0.130 -18.447 1.00 0.00 N ATOM 0 H ARG A 120 5.874 2.884 -11.804 1.00 0.00 H new ATOM 0 HA ARG A 120 7.013 5.277 -12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.843 4.247 -14.269 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.349 2.852 -13.331 1.00 0.00 H new ATOM 0 HG2 ARG A 120 5.095 3.027 -14.621 1.00 0.00 H new ATOM 0 HG3 ARG A 120 5.956 4.093 -15.714 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.664 2.316 -16.097 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.794 1.250 -15.011 1.00 0.00 H new ATOM 0 HE ARG A 120 5.086 2.250 -17.148 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.547 -0.132 -16.292 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.037 -1.277 -17.537 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.435 0.773 -18.744 1.00 0.00 H new ATOM 0 HH22 ARG A 120 5.283 -0.767 -18.919 1.00 0.00 H new