USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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 104 ASN : amide:sc= 0.221 K(o=0.45,f=-1.8) USER MOD Set 1.2: A 106 THR OG1 : rot -65:sc= 0.227 USER MOD Set 2.1: A 56 GLN : amide:sc= -0.0744 X(o=-0.074,f=0) USER MOD Set 2.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 83 MET CE :methyl -169:sc= -1.16 (180deg=-0.173) USER MOD Set 3.2: A 111 SER OG : rot 39:sc= 1.01 USER MOD Set 4.1: A 68 GLN :FLIP amide:sc= -1.04 F(o=-5.8!,f=-1.7) USER MOD Set 4.2: A 71 HIS : no HD1:sc= -0.619 K(o=-1.7,f=-3) USER MOD Set 5.1: A 39 GLN : amide:sc= -2.83! K(o=-2.1!,f=-3.3) USER MOD Set 5.2: A 40 LYS NZ :NH3+ -154:sc= 0.775 (180deg=-0.00661) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 18 LYS NZ :NH3+ -165:sc=-0.00237 (180deg=-0.0737) USER MOD Single : A 24 THR OG1 : rot 101:sc= 1.12 USER MOD Single : A 30 THR OG1 : rot -110:sc= 0.109 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -81:sc= 0.97 USER MOD Single : A 49 CYS SG : rot 104:sc= 0.129 USER MOD Single : A 50 THR OG1 : rot -10:sc= 0.477 USER MOD Single : A 52 MET CE :methyl 155:sc= -2.6! (180deg=-3.42!) USER MOD Single : A 53 ASN :FLIP amide:sc=-0.00991 F(o=-0.96,f=-0.0099) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= -0.104 (180deg=-0.605) USER MOD Single : A 59 SER OG : rot -77:sc= -0.377 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.7) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.3!) USER MOD Single : A 72 GLN : amide:sc= -0.852 K(o=-0.85,f=-3.5!) USER MOD Single : A 75 ASN : amide:sc= 1.09 K(o=1.1,f=-5.1!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.3 K(o=-1.3,f=-1.9!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 0:sc= -0.348 USER MOD Single : A 88 MET CE :methyl -173:sc= -0.337 (180deg=-0.464) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 97 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.27) USER MOD Single : A 102 SER OG : rot -8:sc= 0.3 USER MOD Single : A 105 MET CE :methyl 160:sc= -2.43 (180deg=-4.96!) USER MOD Single : A 107 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.078) USER MOD Single : A 109 GLN : amide:sc= 0.05 K(o=0.05,f=-1.5!) USER MOD Single : A 118 LYS NZ :NH3+ -144:sc= -2.5 (180deg=-5.11!) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 5.746 -11.898 9.766 1.00 0.00 N ATOM 197 CA ASP A 15 6.967 -12.671 9.562 1.00 0.00 C ATOM 198 C ASP A 15 8.187 -11.758 9.518 1.00 0.00 C ATOM 199 O ASP A 15 8.251 -10.803 8.742 1.00 0.00 O ATOM 200 CB ASP A 15 6.872 -13.481 8.268 1.00 0.00 C ATOM 201 CG ASP A 15 7.683 -14.760 8.326 1.00 0.00 C ATOM 202 OD1 ASP A 15 8.870 -14.695 8.711 1.00 0.00 O ATOM 203 OD2 ASP A 15 7.130 -15.828 7.988 1.00 0.00 O ATOM 0 HA ASP A 15 7.080 -13.356 10.402 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.828 -13.725 8.071 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.220 -12.871 7.434 1.00 0.00 H new ATOM 208 N PRO A 16 9.181 -12.055 10.368 1.00 0.00 N ATOM 209 CA PRO A 16 10.417 -11.271 10.446 1.00 0.00 C ATOM 210 C PRO A 16 11.293 -11.447 9.210 1.00 0.00 C ATOM 211 O PRO A 16 12.296 -10.753 9.045 1.00 0.00 O ATOM 212 CB PRO A 16 11.119 -11.838 11.683 1.00 0.00 C ATOM 213 CG PRO A 16 10.592 -13.225 11.816 1.00 0.00 C ATOM 214 CD PRO A 16 9.172 -13.177 11.321 1.00 0.00 C ATOM 0 HA PRO A 16 10.218 -10.201 10.504 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.202 -11.836 11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.899 -11.244 12.570 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.186 -13.926 11.230 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.633 -13.561 12.852 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.883 -14.111 10.839 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.468 -13.007 12.136 1.00 0.00 H new ATOM 222 N GLN A 17 10.906 -12.379 8.344 1.00 0.00 N ATOM 223 CA GLN A 17 11.657 -12.645 7.123 1.00 0.00 C ATOM 224 C GLN A 17 10.978 -12.007 5.916 1.00 0.00 C ATOM 225 O GLN A 17 11.643 -11.540 4.991 1.00 0.00 O ATOM 226 CB GLN A 17 11.800 -14.152 6.905 1.00 0.00 C ATOM 227 CG GLN A 17 10.624 -14.775 6.171 1.00 0.00 C ATOM 228 CD GLN A 17 10.703 -16.289 6.119 1.00 0.00 C ATOM 229 OE1 GLN A 17 11.050 -16.938 7.106 1.00 0.00 O ATOM 230 NE2 GLN A 17 10.380 -16.859 4.964 1.00 0.00 N ATOM 0 H GLN A 17 10.078 -12.962 8.466 1.00 0.00 H new ATOM 0 HA GLN A 17 12.648 -12.205 7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.713 -14.344 6.341 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.914 -14.641 7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.697 -14.480 6.662 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.585 -14.382 5.155 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.098 -16.282 4.172 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.414 -17.874 4.869 1.00 0.00 H new ATOM 239 N LYS A 18 9.650 -11.991 5.932 1.00 0.00 N ATOM 240 CA LYS A 18 8.878 -11.410 4.840 1.00 0.00 C ATOM 241 C LYS A 18 9.033 -9.893 4.811 1.00 0.00 C ATOM 242 O LYS A 18 9.228 -9.300 3.750 1.00 0.00 O ATOM 243 CB LYS A 18 7.400 -11.779 4.979 1.00 0.00 C ATOM 244 CG LYS A 18 7.132 -13.270 4.864 1.00 0.00 C ATOM 245 CD LYS A 18 7.226 -13.744 3.422 1.00 0.00 C ATOM 246 CE LYS A 18 5.882 -13.645 2.715 1.00 0.00 C ATOM 247 NZ LYS A 18 4.943 -14.713 3.158 1.00 0.00 N ATOM 0 H LYS A 18 9.085 -12.374 6.690 1.00 0.00 H new ATOM 0 HA LYS A 18 9.260 -11.815 3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.035 -11.426 5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.830 -11.256 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.849 -13.818 5.476 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.141 -13.494 5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.964 -13.145 2.888 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.576 -14.776 3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.440 -12.668 2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.032 -13.717 1.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.148 -14.775 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.443 -15.624 3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.581 -14.486 4.106 1.00 0.00 H new ATOM 261 N GLU A 19 8.946 -9.271 5.983 1.00 0.00 N ATOM 262 CA GLU A 19 9.078 -7.823 6.091 1.00 0.00 C ATOM 263 C GLU A 19 10.191 -7.308 5.182 1.00 0.00 C ATOM 264 O GLU A 19 10.011 -6.334 4.453 1.00 0.00 O ATOM 265 CB GLU A 19 9.361 -7.420 7.540 1.00 0.00 C ATOM 266 CG GLU A 19 9.688 -5.947 7.709 1.00 0.00 C ATOM 267 CD GLU A 19 11.170 -5.658 7.572 1.00 0.00 C ATOM 268 OE1 GLU A 19 11.979 -6.414 8.150 1.00 0.00 O ATOM 269 OE2 GLU A 19 11.522 -4.676 6.885 1.00 0.00 O ATOM 0 H GLU A 19 8.785 -9.747 6.870 1.00 0.00 H new ATOM 0 HA GLU A 19 8.137 -7.374 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.492 -7.663 8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.193 -8.014 7.917 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.139 -5.369 6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.346 -5.613 8.688 1.00 0.00 H new ATOM 276 N ALA A 20 11.341 -7.971 5.231 1.00 0.00 N ATOM 277 CA ALA A 20 12.482 -7.584 4.413 1.00 0.00 C ATOM 278 C ALA A 20 12.145 -7.661 2.928 1.00 0.00 C ATOM 279 O ALA A 20 12.549 -6.802 2.145 1.00 0.00 O ATOM 280 CB ALA A 20 13.683 -8.464 4.728 1.00 0.00 C ATOM 0 H ALA A 20 11.507 -8.780 5.830 1.00 0.00 H new ATOM 0 HA ALA A 20 12.731 -6.550 4.650 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.528 -8.162 4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.947 -8.356 5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.435 -9.505 4.522 1.00 0.00 H new ATOM 286 N GLU A 21 11.401 -8.696 2.548 1.00 0.00 N ATOM 287 CA GLU A 21 11.010 -8.885 1.155 1.00 0.00 C ATOM 288 C GLU A 21 10.250 -7.669 0.633 1.00 0.00 C ATOM 289 O GLU A 21 10.417 -7.263 -0.517 1.00 0.00 O ATOM 290 CB GLU A 21 10.149 -10.141 1.010 1.00 0.00 C ATOM 291 CG GLU A 21 10.849 -11.414 1.453 1.00 0.00 C ATOM 292 CD GLU A 21 10.255 -12.657 0.819 1.00 0.00 C ATOM 293 OE1 GLU A 21 9.033 -12.661 0.556 1.00 0.00 O ATOM 294 OE2 GLU A 21 11.009 -13.624 0.587 1.00 0.00 O ATOM 0 H GLU A 21 11.057 -9.415 3.184 1.00 0.00 H new ATOM 0 HA GLU A 21 11.917 -9.005 0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.237 -10.016 1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.848 -10.246 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.907 -11.350 1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.788 -11.499 2.538 1.00 0.00 H new ATOM 301 N LEU A 22 9.413 -7.091 1.489 1.00 0.00 N ATOM 302 CA LEU A 22 8.625 -5.921 1.116 1.00 0.00 C ATOM 303 C LEU A 22 9.526 -4.720 0.851 1.00 0.00 C ATOM 304 O LEU A 22 9.644 -4.259 -0.285 1.00 0.00 O ATOM 305 CB LEU A 22 7.619 -5.587 2.219 1.00 0.00 C ATOM 306 CG LEU A 22 6.528 -6.628 2.472 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.720 -6.264 3.707 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.620 -6.753 1.257 1.00 0.00 C ATOM 0 H LEU A 22 9.263 -7.413 2.445 1.00 0.00 H new ATOM 0 HA LEU A 22 8.084 -6.154 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.167 -5.432 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.139 -4.640 1.970 1.00 0.00 H new ATOM 0 HG LEU A 22 7.005 -7.592 2.646 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.948 -7.016 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.379 -6.225 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.253 -5.290 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.849 -7.498 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.151 -5.791 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.209 -7.060 0.393 1.00 0.00 H new ATOM 320 N ARG A 23 10.160 -4.218 1.905 1.00 0.00 N ATOM 321 CA ARG A 23 11.051 -3.070 1.787 1.00 0.00 C ATOM 322 C ARG A 23 12.003 -3.242 0.607 1.00 0.00 C ATOM 323 O ARG A 23 12.340 -2.277 -0.080 1.00 0.00 O ATOM 324 CB ARG A 23 11.850 -2.882 3.077 1.00 0.00 C ATOM 325 CG ARG A 23 12.700 -4.087 3.449 1.00 0.00 C ATOM 326 CD ARG A 23 13.897 -3.683 4.296 1.00 0.00 C ATOM 327 NE ARG A 23 15.058 -3.346 3.477 1.00 0.00 N ATOM 328 CZ ARG A 23 16.058 -2.580 3.900 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.039 -2.077 5.127 1.00 0.00 N ATOM 330 NH2 ARG A 23 17.080 -2.319 3.096 1.00 0.00 N ATOM 0 H ARG A 23 10.073 -4.588 2.851 1.00 0.00 H new ATOM 0 HA ARG A 23 10.440 -2.184 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.497 -2.011 2.970 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.160 -2.669 3.894 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.092 -4.808 3.996 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.045 -4.584 2.543 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.630 -2.827 4.916 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.155 -4.498 4.972 1.00 0.00 H new ATOM 0 HE ARG A 23 15.104 -3.719 2.529 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.256 -2.278 5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 23 16.808 -1.489 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 23 17.099 -2.706 2.153 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.847 -1.731 3.421 1.00 0.00 H new ATOM 344 N THR A 24 12.436 -4.477 0.377 1.00 0.00 N ATOM 345 CA THR A 24 13.351 -4.775 -0.718 1.00 0.00 C ATOM 346 C THR A 24 12.647 -4.672 -2.067 1.00 0.00 C ATOM 347 O THR A 24 13.270 -4.352 -3.079 1.00 0.00 O ATOM 348 CB THR A 24 13.956 -6.185 -0.576 1.00 0.00 C ATOM 349 OG1 THR A 24 14.536 -6.340 0.725 1.00 0.00 O ATOM 350 CG2 THR A 24 15.016 -6.428 -1.640 1.00 0.00 C ATOM 0 H THR A 24 12.168 -5.288 0.935 1.00 0.00 H new ATOM 0 HA THR A 24 14.151 -4.036 -0.671 1.00 0.00 H new ATOM 0 HB THR A 24 13.157 -6.915 -0.707 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.921 -6.842 1.300 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.429 -7.430 -1.520 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.567 -6.337 -2.629 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.813 -5.692 -1.534 1.00 0.00 H new ATOM 358 N TRP A 25 11.347 -4.942 -2.072 1.00 0.00 N ATOM 359 CA TRP A 25 10.558 -4.878 -3.297 1.00 0.00 C ATOM 360 C TRP A 25 10.019 -3.470 -3.524 1.00 0.00 C ATOM 361 O TRP A 25 9.705 -3.090 -4.652 1.00 0.00 O ATOM 362 CB TRP A 25 9.402 -5.878 -3.237 1.00 0.00 C ATOM 363 CG TRP A 25 8.285 -5.551 -4.181 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.273 -5.743 -5.534 1.00 0.00 C ATOM 365 CD2 TRP A 25 7.019 -4.974 -3.845 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.075 -5.319 -6.058 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.288 -4.844 -5.042 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.431 -4.555 -2.649 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.002 -4.313 -5.075 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.154 -4.028 -2.682 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.450 -3.912 -3.889 1.00 0.00 C ATOM 0 H TRP A 25 10.817 -5.207 -1.242 1.00 0.00 H new ATOM 0 HA TRP A 25 11.208 -5.137 -4.133 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.781 -6.874 -3.465 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.011 -5.910 -2.220 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.085 -6.166 -6.107 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.814 -5.353 -7.044 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.965 -4.641 -1.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.459 -4.221 -6.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.691 -3.700 -1.763 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.453 -3.498 -3.882 1.00 0.00 H new ATOM 382 N ILE A 26 9.913 -2.701 -2.446 1.00 0.00 N ATOM 383 CA ILE A 26 9.412 -1.335 -2.528 1.00 0.00 C ATOM 384 C ILE A 26 10.547 -0.347 -2.778 1.00 0.00 C ATOM 385 O ILE A 26 10.466 0.493 -3.673 1.00 0.00 O ATOM 386 CB ILE A 26 8.666 -0.930 -1.244 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.546 -1.927 -0.942 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.106 0.479 -1.379 1.00 0.00 C ATOM 389 CD1 ILE A 26 6.865 -1.686 0.387 1.00 0.00 C ATOM 0 H ILE A 26 10.168 -3.001 -1.505 1.00 0.00 H new ATOM 0 HA ILE A 26 8.716 -1.304 -3.366 1.00 0.00 H new ATOM 0 HB ILE A 26 9.371 -0.942 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.802 -1.877 -1.737 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.957 -2.937 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.581 0.751 -0.463 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.923 1.180 -1.551 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.413 0.516 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.082 -2.430 0.535 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.597 -1.765 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.424 -0.689 0.395 1.00 0.00 H new ATOM 401 N GLU A 27 11.605 -0.456 -1.981 1.00 0.00 N ATOM 402 CA GLU A 27 12.757 0.426 -2.115 1.00 0.00 C ATOM 403 C GLU A 27 13.242 0.471 -3.562 1.00 0.00 C ATOM 404 O GLU A 27 13.552 1.538 -4.091 1.00 0.00 O ATOM 405 CB GLU A 27 13.893 -0.036 -1.200 1.00 0.00 C ATOM 406 CG GLU A 27 13.800 0.519 0.212 1.00 0.00 C ATOM 407 CD GLU A 27 15.076 0.311 1.005 1.00 0.00 C ATOM 408 OE1 GLU A 27 16.058 1.039 0.751 1.00 0.00 O ATOM 409 OE2 GLU A 27 15.092 -0.581 1.881 1.00 0.00 O ATOM 0 H GLU A 27 11.688 -1.147 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 27 12.449 1.429 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.892 -1.125 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.845 0.264 -1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.575 1.584 0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.971 0.040 0.733 1.00 0.00 H new ATOM 416 N GLY A 28 13.306 -0.697 -4.195 1.00 0.00 N ATOM 417 CA GLY A 28 13.755 -0.770 -5.573 1.00 0.00 C ATOM 418 C GLY A 28 12.759 -0.160 -6.539 1.00 0.00 C ATOM 419 O GLY A 28 13.143 0.399 -7.568 1.00 0.00 O ATOM 0 H GLY A 28 13.055 -1.593 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.711 -0.255 -5.668 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.926 -1.812 -5.842 1.00 0.00 H new ATOM 423 N LEU A 29 11.476 -0.266 -6.210 1.00 0.00 N ATOM 424 CA LEU A 29 10.421 0.278 -7.059 1.00 0.00 C ATOM 425 C LEU A 29 10.516 1.799 -7.136 1.00 0.00 C ATOM 426 O LEU A 29 10.691 2.367 -8.215 1.00 0.00 O ATOM 427 CB LEU A 29 9.048 -0.132 -6.525 1.00 0.00 C ATOM 428 CG LEU A 29 8.482 -1.445 -7.068 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.506 -2.057 -6.075 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.807 -1.220 -8.413 1.00 0.00 C ATOM 0 H LEU A 29 11.141 -0.723 -5.362 1.00 0.00 H new ATOM 0 HA LEU A 29 10.549 -0.128 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.110 -0.208 -5.439 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.340 0.666 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 29 9.308 -2.142 -7.211 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.114 -2.990 -6.479 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.020 -2.256 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.683 -1.364 -5.899 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.410 -2.165 -8.784 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.992 -0.505 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.534 -0.828 -9.124 1.00 0.00 H new ATOM 442 N THR A 30 10.399 2.453 -5.984 1.00 0.00 N ATOM 443 CA THR A 30 10.472 3.907 -5.922 1.00 0.00 C ATOM 444 C THR A 30 11.919 4.385 -5.885 1.00 0.00 C ATOM 445 O THR A 30 12.237 5.472 -6.365 1.00 0.00 O ATOM 446 CB THR A 30 9.731 4.453 -4.686 1.00 0.00 C ATOM 447 OG1 THR A 30 10.489 4.184 -3.502 1.00 0.00 O ATOM 448 CG2 THR A 30 8.349 3.829 -4.564 1.00 0.00 C ATOM 0 H THR A 30 10.253 1.999 -5.082 1.00 0.00 H new ATOM 0 HA THR A 30 9.991 4.287 -6.823 1.00 0.00 H new ATOM 0 HB THR A 30 9.616 5.530 -4.805 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.029 3.505 -2.966 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.845 4.230 -3.684 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.765 4.062 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.445 2.748 -4.466 1.00 0.00 H new ATOM 456 N GLY A 31 12.793 3.563 -5.311 1.00 0.00 N ATOM 457 CA GLY A 31 14.197 3.919 -5.222 1.00 0.00 C ATOM 458 C GLY A 31 14.505 4.767 -4.003 1.00 0.00 C ATOM 459 O GLY A 31 15.577 5.367 -3.910 1.00 0.00 O ATOM 0 H GLY A 31 12.554 2.658 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.798 3.010 -5.189 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.489 4.462 -6.121 1.00 0.00 H new ATOM 463 N LEU A 32 13.563 4.820 -3.069 1.00 0.00 N ATOM 464 CA LEU A 32 13.737 5.602 -1.850 1.00 0.00 C ATOM 465 C LEU A 32 14.235 4.725 -0.706 1.00 0.00 C ATOM 466 O LEU A 32 14.474 3.530 -0.886 1.00 0.00 O ATOM 467 CB LEU A 32 12.420 6.273 -1.459 1.00 0.00 C ATOM 468 CG LEU A 32 11.827 7.241 -2.484 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.362 7.511 -2.179 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.618 8.541 -2.509 1.00 0.00 C ATOM 0 H LEU A 32 12.670 4.331 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 32 14.485 6.371 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.685 5.494 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.575 6.814 -0.526 1.00 0.00 H new ATOM 0 HG LEU A 32 11.892 6.781 -3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.958 8.202 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.805 6.575 -2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.272 7.950 -1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.182 9.218 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.586 9.006 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.653 8.332 -2.778 1.00 0.00 H new ATOM 482 N SER A 33 14.385 5.324 0.471 1.00 0.00 N ATOM 483 CA SER A 33 14.855 4.597 1.644 1.00 0.00 C ATOM 484 C SER A 33 13.836 4.677 2.776 1.00 0.00 C ATOM 485 O SER A 33 13.391 5.762 3.150 1.00 0.00 O ATOM 486 CB SER A 33 16.200 5.158 2.113 1.00 0.00 C ATOM 487 OG SER A 33 17.124 5.229 1.041 1.00 0.00 O ATOM 0 H SER A 33 14.188 6.311 0.637 1.00 0.00 H new ATOM 0 HA SER A 33 14.983 3.551 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.055 6.151 2.539 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.604 4.528 2.905 1.00 0.00 H new ATOM 0 HG SER A 33 17.974 5.592 1.366 1.00 0.00 H new ATOM 493 N ILE A 34 13.472 3.519 3.317 1.00 0.00 N ATOM 494 CA ILE A 34 12.506 3.457 4.408 1.00 0.00 C ATOM 495 C ILE A 34 13.159 3.807 5.741 1.00 0.00 C ATOM 496 O ILE A 34 12.683 4.678 6.468 1.00 0.00 O ATOM 497 CB ILE A 34 11.866 2.061 4.513 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.124 1.717 3.220 1.00 0.00 C ATOM 499 CG2 ILE A 34 10.921 2.000 5.705 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.046 0.232 2.945 1.00 0.00 C ATOM 0 H ILE A 34 13.831 2.612 3.018 1.00 0.00 H new ATOM 0 HA ILE A 34 11.729 4.188 4.184 1.00 0.00 H new ATOM 0 HB ILE A 34 12.656 1.325 4.662 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.113 2.122 3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.622 2.208 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.476 1.007 5.766 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.476 2.206 6.620 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.133 2.744 5.583 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.507 0.062 2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.053 -0.176 2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.522 -0.262 3.763 1.00 0.00 H new ATOM 512 N GLY A 35 14.255 3.122 6.055 1.00 0.00 N ATOM 513 CA GLY A 35 14.957 3.375 7.300 1.00 0.00 C ATOM 514 C GLY A 35 15.048 2.141 8.175 1.00 0.00 C ATOM 515 O GLY A 35 14.561 1.067 7.824 1.00 0.00 O ATOM 0 H GLY A 35 14.669 2.397 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.962 3.736 7.080 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.446 4.168 7.847 1.00 0.00 H new ATOM 519 N PRO A 36 15.688 2.288 9.345 1.00 0.00 N ATOM 520 CA PRO A 36 15.859 1.185 10.297 1.00 0.00 C ATOM 521 C PRO A 36 14.545 0.779 10.955 1.00 0.00 C ATOM 522 O PRO A 36 14.325 -0.395 11.250 1.00 0.00 O ATOM 523 CB PRO A 36 16.822 1.762 11.337 1.00 0.00 C ATOM 524 CG PRO A 36 16.621 3.237 11.265 1.00 0.00 C ATOM 525 CD PRO A 36 16.294 3.539 9.828 1.00 0.00 C ATOM 0 HA PRO A 36 16.225 0.280 9.812 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.602 1.381 12.334 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.854 1.492 11.113 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.813 3.554 11.924 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.518 3.769 11.582 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.605 4.379 9.741 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.187 3.799 9.259 1.00 0.00 H new ATOM 533 N ASP A 37 13.675 1.758 11.181 1.00 0.00 N ATOM 534 CA ASP A 37 12.381 1.501 11.803 1.00 0.00 C ATOM 535 C ASP A 37 11.274 1.457 10.755 1.00 0.00 C ATOM 536 O ASP A 37 10.580 2.448 10.528 1.00 0.00 O ATOM 537 CB ASP A 37 12.071 2.575 12.847 1.00 0.00 C ATOM 538 CG ASP A 37 13.104 2.622 13.956 1.00 0.00 C ATOM 539 OD1 ASP A 37 13.266 1.601 14.656 1.00 0.00 O ATOM 540 OD2 ASP A 37 13.748 3.679 14.123 1.00 0.00 O ATOM 0 H ASP A 37 13.842 2.736 10.943 1.00 0.00 H new ATOM 0 HA ASP A 37 12.428 0.530 12.296 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.022 3.548 12.359 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.088 2.385 13.278 1.00 0.00 H new ATOM 545 N PHE A 38 11.115 0.301 10.118 1.00 0.00 N ATOM 546 CA PHE A 38 10.093 0.128 9.092 1.00 0.00 C ATOM 547 C PHE A 38 8.846 0.942 9.424 1.00 0.00 C ATOM 548 O PHE A 38 8.471 1.851 8.684 1.00 0.00 O ATOM 549 CB PHE A 38 9.727 -1.351 8.951 1.00 0.00 C ATOM 550 CG PHE A 38 8.906 -1.652 7.730 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.387 -1.355 6.465 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.653 -2.232 7.848 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.633 -1.630 5.341 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.894 -2.510 6.726 1.00 0.00 C ATOM 555 CZ PHE A 38 7.386 -2.209 5.471 1.00 0.00 C ATOM 0 H PHE A 38 11.681 -0.529 10.294 1.00 0.00 H new ATOM 0 HA PHE A 38 10.499 0.487 8.146 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.642 -1.942 8.918 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.175 -1.667 9.837 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.362 -0.904 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.265 -2.470 8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.019 -1.392 4.361 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.919 -2.962 6.831 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.796 -2.426 4.593 1.00 0.00 H new ATOM 565 N GLN A 39 8.209 0.609 10.542 1.00 0.00 N ATOM 566 CA GLN A 39 7.003 1.308 10.970 1.00 0.00 C ATOM 567 C GLN A 39 7.162 2.816 10.810 1.00 0.00 C ATOM 568 O GLN A 39 6.265 3.497 10.312 1.00 0.00 O ATOM 569 CB GLN A 39 6.682 0.969 12.428 1.00 0.00 C ATOM 570 CG GLN A 39 5.334 1.497 12.892 1.00 0.00 C ATOM 571 CD GLN A 39 5.423 2.894 13.472 1.00 0.00 C ATOM 572 OE1 GLN A 39 5.873 3.083 14.602 1.00 0.00 O ATOM 573 NE2 GLN A 39 4.992 3.885 12.698 1.00 0.00 N ATOM 0 H GLN A 39 8.508 -0.140 11.167 1.00 0.00 H new ATOM 0 HA GLN A 39 6.179 0.979 10.337 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.702 -0.114 12.554 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.463 1.378 13.068 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.640 1.500 12.051 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.922 0.822 13.642 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.626 3.683 11.767 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.027 4.847 13.035 1.00 0.00 H new ATOM 582 N LYS A 40 8.310 3.334 11.235 1.00 0.00 N ATOM 583 CA LYS A 40 8.589 4.761 11.139 1.00 0.00 C ATOM 584 C LYS A 40 8.708 5.195 9.681 1.00 0.00 C ATOM 585 O LYS A 40 7.841 5.895 9.159 1.00 0.00 O ATOM 586 CB LYS A 40 9.878 5.102 11.890 1.00 0.00 C ATOM 587 CG LYS A 40 9.889 4.618 13.330 1.00 0.00 C ATOM 588 CD LYS A 40 9.087 5.538 14.234 1.00 0.00 C ATOM 589 CE LYS A 40 9.132 5.075 15.682 1.00 0.00 C ATOM 590 NZ LYS A 40 8.320 3.845 15.896 1.00 0.00 N ATOM 0 H LYS A 40 9.063 2.785 11.650 1.00 0.00 H new ATOM 0 HA LYS A 40 7.758 5.299 11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.724 4.662 11.361 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.021 6.183 11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.478 3.610 13.379 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.917 4.561 13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.480 6.552 14.163 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.052 5.572 13.894 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.166 4.883 15.970 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.764 5.871 16.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.008 3.803 16.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.489 3.865 15.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.896 3.007 15.679 1.00 0.00 H new ATOM 604 N GLY A 41 9.787 4.774 9.028 1.00 0.00 N ATOM 605 CA GLY A 41 9.998 5.127 7.638 1.00 0.00 C ATOM 606 C GLY A 41 8.700 5.223 6.860 1.00 0.00 C ATOM 607 O GLY A 41 8.544 6.094 6.002 1.00 0.00 O ATOM 0 H GLY A 41 10.519 4.194 9.438 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.522 6.082 7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.643 4.383 7.171 1.00 0.00 H new ATOM 611 N LEU A 42 7.766 4.326 7.158 1.00 0.00 N ATOM 612 CA LEU A 42 6.475 4.313 6.480 1.00 0.00 C ATOM 613 C LEU A 42 5.467 5.192 7.211 1.00 0.00 C ATOM 614 O LEU A 42 4.615 5.829 6.589 1.00 0.00 O ATOM 615 CB LEU A 42 5.944 2.882 6.382 1.00 0.00 C ATOM 616 CG LEU A 42 6.920 1.839 5.836 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.325 0.443 5.944 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.286 2.155 4.393 1.00 0.00 C ATOM 0 H LEU A 42 7.879 3.599 7.864 1.00 0.00 H new ATOM 0 HA LEU A 42 6.616 4.712 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.624 2.566 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.057 2.888 5.748 1.00 0.00 H new ATOM 0 HG LEU A 42 7.830 1.871 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.034 -0.286 5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.115 0.217 6.989 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.400 0.396 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.981 1.403 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.385 2.151 3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.754 3.138 4.343 1.00 0.00 H new ATOM 630 N LYS A 43 5.569 5.227 8.535 1.00 0.00 N ATOM 631 CA LYS A 43 4.669 6.031 9.352 1.00 0.00 C ATOM 632 C LYS A 43 4.282 7.318 8.631 1.00 0.00 C ATOM 633 O LYS A 43 3.136 7.488 8.214 1.00 0.00 O ATOM 634 CB LYS A 43 5.325 6.364 10.694 1.00 0.00 C ATOM 635 CG LYS A 43 4.394 7.064 11.669 1.00 0.00 C ATOM 636 CD LYS A 43 5.170 7.840 12.721 1.00 0.00 C ATOM 637 CE LYS A 43 4.287 8.859 13.425 1.00 0.00 C ATOM 638 NZ LYS A 43 5.036 9.619 14.463 1.00 0.00 N ATOM 0 H LYS A 43 6.268 4.707 9.066 1.00 0.00 H new ATOM 0 HA LYS A 43 3.765 5.449 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.689 5.443 11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.194 6.997 10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.739 7.743 11.124 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.755 6.327 12.156 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.584 7.148 13.454 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.012 8.349 12.252 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.878 9.553 12.691 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.442 8.349 13.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.399 10.303 14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.405 8.959 15.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.828 10.126 14.018 1.00 0.00 H new ATOM 652 N ASP A 44 5.245 8.221 8.485 1.00 0.00 N ATOM 653 CA ASP A 44 5.006 9.492 7.810 1.00 0.00 C ATOM 654 C ASP A 44 4.206 9.284 6.529 1.00 0.00 C ATOM 655 O ASP A 44 3.379 10.118 6.159 1.00 0.00 O ATOM 656 CB ASP A 44 6.333 10.182 7.491 1.00 0.00 C ATOM 657 CG ASP A 44 7.384 9.211 6.987 1.00 0.00 C ATOM 658 OD1 ASP A 44 7.172 8.613 5.912 1.00 0.00 O ATOM 659 OD2 ASP A 44 8.418 9.052 7.668 1.00 0.00 O ATOM 0 H ASP A 44 6.199 8.097 8.825 1.00 0.00 H new ATOM 0 HA ASP A 44 4.427 10.128 8.480 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.166 10.954 6.740 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.704 10.682 8.386 1.00 0.00 H new ATOM 664 N GLY A 45 4.457 8.167 5.853 1.00 0.00 N ATOM 665 CA GLY A 45 3.752 7.871 4.620 1.00 0.00 C ATOM 666 C GLY A 45 4.359 8.574 3.422 1.00 0.00 C ATOM 667 O GLY A 45 3.643 9.137 2.594 1.00 0.00 O ATOM 0 H GLY A 45 5.136 7.462 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.762 6.795 4.449 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.708 8.168 4.721 1.00 0.00 H new ATOM 671 N THR A 46 5.686 8.544 3.330 1.00 0.00 N ATOM 672 CA THR A 46 6.389 9.186 2.227 1.00 0.00 C ATOM 673 C THR A 46 6.567 8.227 1.056 1.00 0.00 C ATOM 674 O THR A 46 6.195 8.539 -0.077 1.00 0.00 O ATOM 675 CB THR A 46 7.772 9.701 2.667 1.00 0.00 C ATOM 676 OG1 THR A 46 8.461 8.686 3.406 1.00 0.00 O ATOM 677 CG2 THR A 46 7.637 10.953 3.521 1.00 0.00 C ATOM 0 H THR A 46 6.294 8.082 4.006 1.00 0.00 H new ATOM 0 HA THR A 46 5.777 10.031 1.912 1.00 0.00 H new ATOM 0 HB THR A 46 8.343 9.950 1.773 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.140 8.681 4.332 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.627 11.298 3.820 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.139 11.734 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.049 10.725 4.410 1.00 0.00 H new ATOM 685 N ILE A 47 7.134 7.058 1.335 1.00 0.00 N ATOM 686 CA ILE A 47 7.358 6.052 0.303 1.00 0.00 C ATOM 687 C ILE A 47 6.060 5.341 -0.062 1.00 0.00 C ATOM 688 O ILE A 47 5.681 5.279 -1.233 1.00 0.00 O ATOM 689 CB ILE A 47 8.395 5.006 0.753 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.725 5.685 1.088 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.589 3.954 -0.328 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.519 4.965 2.156 1.00 0.00 C ATOM 0 H ILE A 47 7.447 6.784 2.266 1.00 0.00 H new ATOM 0 HA ILE A 47 7.740 6.577 -0.573 1.00 0.00 H new ATOM 0 HB ILE A 47 8.025 4.512 1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.328 5.752 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.530 6.705 1.418 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.325 3.222 0.005 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.641 3.453 -0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.941 4.432 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.449 5.502 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.935 4.921 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.745 3.953 1.821 1.00 0.00 H new ATOM 704 N LEU A 48 5.381 4.806 0.947 1.00 0.00 N ATOM 705 CA LEU A 48 4.123 4.100 0.732 1.00 0.00 C ATOM 706 C LEU A 48 3.333 4.728 -0.411 1.00 0.00 C ATOM 707 O LEU A 48 2.676 4.029 -1.183 1.00 0.00 O ATOM 708 CB LEU A 48 3.285 4.111 2.012 1.00 0.00 C ATOM 709 CG LEU A 48 3.640 3.051 3.056 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.649 3.085 4.210 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.675 1.669 2.422 1.00 0.00 C ATOM 0 H LEU A 48 5.680 4.848 1.921 1.00 0.00 H new ATOM 0 HA LEU A 48 4.355 3.069 0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.378 5.093 2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.238 3.986 1.738 1.00 0.00 H new ATOM 0 HG LEU A 48 4.632 3.274 3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.918 2.324 4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.673 4.067 4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.645 2.888 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.929 0.928 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.697 1.437 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.424 1.651 1.631 1.00 0.00 H new ATOM 723 N CYS A 49 3.404 6.051 -0.515 1.00 0.00 N ATOM 724 CA CYS A 49 2.697 6.774 -1.567 1.00 0.00 C ATOM 725 C CYS A 49 3.332 6.513 -2.928 1.00 0.00 C ATOM 726 O CYS A 49 2.693 5.972 -3.831 1.00 0.00 O ATOM 727 CB CYS A 49 2.696 8.275 -1.270 1.00 0.00 C ATOM 728 SG CYS A 49 1.575 8.763 0.061 1.00 0.00 S ATOM 0 H CYS A 49 3.943 6.644 0.116 1.00 0.00 H new ATOM 0 HA CYS A 49 1.668 6.415 -1.592 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.708 8.584 -1.009 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.422 8.814 -2.177 1.00 0.00 H new ATOM 0 HG CYS A 49 2.261 9.012 1.137 1.00 0.00 H new ATOM 734 N THR A 50 4.596 6.900 -3.071 1.00 0.00 N ATOM 735 CA THR A 50 5.317 6.711 -4.323 1.00 0.00 C ATOM 736 C THR A 50 5.206 5.271 -4.810 1.00 0.00 C ATOM 737 O THR A 50 4.978 5.020 -5.994 1.00 0.00 O ATOM 738 CB THR A 50 6.806 7.077 -4.174 1.00 0.00 C ATOM 739 OG1 THR A 50 7.345 6.469 -2.995 1.00 0.00 O ATOM 740 CG2 THR A 50 6.988 8.585 -4.103 1.00 0.00 C ATOM 0 H THR A 50 5.142 7.347 -2.334 1.00 0.00 H new ATOM 0 HA THR A 50 4.858 7.375 -5.055 1.00 0.00 H new ATOM 0 HB THR A 50 7.338 6.704 -5.049 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.617 6.085 -2.463 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.047 8.819 -3.998 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.604 9.041 -5.016 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.443 8.977 -3.244 1.00 0.00 H new ATOM 748 N LEU A 51 5.366 4.326 -3.889 1.00 0.00 N ATOM 749 CA LEU A 51 5.282 2.909 -4.224 1.00 0.00 C ATOM 750 C LEU A 51 4.103 2.638 -5.153 1.00 0.00 C ATOM 751 O LEU A 51 4.261 2.028 -6.210 1.00 0.00 O ATOM 752 CB LEU A 51 5.147 2.071 -2.951 1.00 0.00 C ATOM 753 CG LEU A 51 4.734 0.612 -3.149 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.798 -0.142 -3.931 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.481 -0.057 -1.806 1.00 0.00 C ATOM 0 H LEU A 51 5.555 4.516 -2.905 1.00 0.00 H new ATOM 0 HA LEU A 51 6.200 2.628 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.101 2.089 -2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.415 2.550 -2.301 1.00 0.00 H new ATOM 0 HG LEU A 51 3.808 0.591 -3.723 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.487 -1.178 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.930 0.324 -4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.741 -0.112 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.188 -1.095 -1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.391 -0.025 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.683 0.469 -1.282 1.00 0.00 H new ATOM 767 N MET A 52 2.923 3.098 -4.752 1.00 0.00 N ATOM 768 CA MET A 52 1.717 2.907 -5.550 1.00 0.00 C ATOM 769 C MET A 52 1.842 3.609 -6.898 1.00 0.00 C ATOM 770 O MET A 52 1.623 3.004 -7.947 1.00 0.00 O ATOM 771 CB MET A 52 0.493 3.435 -4.799 1.00 0.00 C ATOM 772 CG MET A 52 -0.828 2.958 -5.379 1.00 0.00 C ATOM 773 SD MET A 52 -1.059 1.177 -5.209 1.00 0.00 S ATOM 774 CE MET A 52 -1.798 0.779 -6.792 1.00 0.00 C ATOM 0 H MET A 52 2.776 3.606 -3.880 1.00 0.00 H new ATOM 0 HA MET A 52 1.593 1.838 -5.726 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.555 3.125 -3.756 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.513 4.525 -4.810 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.647 3.476 -4.880 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.876 3.228 -6.434 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.601 -0.265 -7.033 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.874 0.943 -6.742 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.369 1.417 -7.565 1.00 0.00 H new ATOM 784 N ASN A 53 2.194 4.891 -6.863 1.00 0.00 N ATOM 785 CA ASN A 53 2.347 5.675 -8.083 1.00 0.00 C ATOM 786 C ASN A 53 3.100 4.884 -9.148 1.00 0.00 C ATOM 787 O ASN A 53 2.765 4.939 -10.331 1.00 0.00 O ATOM 788 CB ASN A 53 3.085 6.982 -7.784 1.00 0.00 C ATOM 789 CG ASN A 53 2.138 8.113 -7.433 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.343 8.716 -6.267 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.233 8.441 -8.200 1.00 0.00 N flip ATOM 0 H ASN A 53 2.378 5.408 -6.003 1.00 0.00 H new ATOM 0 HA ASN A 53 1.352 5.906 -8.464 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.779 6.824 -6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.681 7.266 -8.651 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.112 7.950 -9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.604 9.204 -7.950 1.00 0.00 H new ATOM 798 N LYS A 54 4.120 4.149 -8.719 1.00 0.00 N ATOM 799 CA LYS A 54 4.921 3.344 -9.634 1.00 0.00 C ATOM 800 C LYS A 54 4.059 2.304 -10.342 1.00 0.00 C ATOM 801 O LYS A 54 4.150 2.131 -11.558 1.00 0.00 O ATOM 802 CB LYS A 54 6.056 2.651 -8.875 1.00 0.00 C ATOM 803 CG LYS A 54 6.967 3.612 -8.132 1.00 0.00 C ATOM 804 CD LYS A 54 7.784 4.461 -9.093 1.00 0.00 C ATOM 805 CE LYS A 54 8.154 5.800 -8.476 1.00 0.00 C ATOM 806 NZ LYS A 54 6.952 6.634 -8.194 1.00 0.00 N ATOM 0 H LYS A 54 4.412 4.094 -7.743 1.00 0.00 H new ATOM 0 HA LYS A 54 5.347 4.009 -10.386 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.628 1.946 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.652 2.071 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.369 4.260 -7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.637 3.050 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.691 3.925 -9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.216 4.626 -10.008 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.705 5.633 -7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.819 6.339 -9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.214 7.640 -8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.224 6.448 -8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 6.578 6.397 -7.253 1.00 0.00 H new ATOM 820 N LEU A 55 3.221 1.615 -9.574 1.00 0.00 N ATOM 821 CA LEU A 55 2.341 0.593 -10.129 1.00 0.00 C ATOM 822 C LEU A 55 1.222 1.225 -10.951 1.00 0.00 C ATOM 823 O LEU A 55 0.966 0.817 -12.083 1.00 0.00 O ATOM 824 CB LEU A 55 1.746 -0.258 -9.006 1.00 0.00 C ATOM 825 CG LEU A 55 2.729 -0.756 -7.946 1.00 0.00 C ATOM 826 CD1 LEU A 55 1.991 -1.477 -6.830 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.774 -1.666 -8.573 1.00 0.00 C ATOM 0 H LEU A 55 3.133 1.746 -8.566 1.00 0.00 H new ATOM 0 HA LEU A 55 2.933 -0.044 -10.786 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.971 0.324 -8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.257 -1.123 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 55 3.239 0.107 -7.517 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.707 -1.824 -6.085 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.283 -0.794 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.453 -2.331 -7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.465 -2.011 -7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.282 -2.525 -9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.325 -1.116 -9.336 1.00 0.00 H new ATOM 839 N GLN A 56 0.563 2.224 -10.374 1.00 0.00 N ATOM 840 CA GLN A 56 -0.527 2.913 -11.054 1.00 0.00 C ATOM 841 C GLN A 56 -0.154 4.363 -11.351 1.00 0.00 C ATOM 842 O GLN A 56 0.218 5.127 -10.460 1.00 0.00 O ATOM 843 CB GLN A 56 -1.798 2.864 -10.206 1.00 0.00 C ATOM 844 CG GLN A 56 -2.876 3.833 -10.667 1.00 0.00 C ATOM 845 CD GLN A 56 -4.276 3.318 -10.402 1.00 0.00 C ATOM 846 OE1 GLN A 56 -5.060 3.112 -11.330 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.599 3.107 -9.133 1.00 0.00 N ATOM 0 H GLN A 56 0.765 2.574 -9.438 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.711 2.403 -12.000 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.199 1.851 -10.226 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.542 3.085 -9.170 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.742 4.788 -10.159 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.758 4.021 -11.734 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.918 3.291 -8.396 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.528 2.761 -8.894 1.00 0.00 H new ATOM 856 N PRO A 57 -0.254 4.750 -12.631 1.00 0.00 N ATOM 857 CA PRO A 57 0.069 6.110 -13.073 1.00 0.00 C ATOM 858 C PRO A 57 -0.947 7.136 -12.581 1.00 0.00 C ATOM 859 O PRO A 57 -0.862 8.317 -12.914 1.00 0.00 O ATOM 860 CB PRO A 57 0.025 6.006 -14.600 1.00 0.00 C ATOM 861 CG PRO A 57 -0.889 4.861 -14.876 1.00 0.00 C ATOM 862 CD PRO A 57 -0.690 3.891 -13.744 1.00 0.00 C ATOM 0 HA PRO A 57 1.028 6.449 -12.682 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.347 6.927 -15.049 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.018 5.829 -15.013 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.926 5.193 -14.928 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.655 4.397 -15.834 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.611 3.359 -13.504 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.059 3.138 -13.987 1.00 0.00 H new ATOM 870 N GLY A 58 -1.906 6.677 -11.784 1.00 0.00 N ATOM 871 CA GLY A 58 -2.924 7.568 -11.258 1.00 0.00 C ATOM 872 C GLY A 58 -3.486 7.089 -9.934 1.00 0.00 C ATOM 873 O GLY A 58 -4.694 6.902 -9.797 1.00 0.00 O ATOM 0 H GLY A 58 -1.997 5.704 -11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.500 8.564 -11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.734 7.657 -11.982 1.00 0.00 H new ATOM 877 N SER A 59 -2.607 6.889 -8.957 1.00 0.00 N ATOM 878 CA SER A 59 -3.021 6.424 -7.639 1.00 0.00 C ATOM 879 C SER A 59 -3.073 7.581 -6.646 1.00 0.00 C ATOM 880 O SER A 59 -4.133 7.911 -6.113 1.00 0.00 O ATOM 881 CB SER A 59 -2.063 5.344 -7.132 1.00 0.00 C ATOM 882 OG SER A 59 -0.757 5.541 -7.641 1.00 0.00 O ATOM 0 H SER A 59 -1.603 7.042 -9.054 1.00 0.00 H new ATOM 0 HA SER A 59 -4.021 6.000 -7.728 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.038 5.358 -6.042 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.428 4.361 -7.430 1.00 0.00 H new ATOM 0 HG SER A 59 -0.722 5.248 -8.575 1.00 0.00 H new ATOM 888 N VAL A 60 -1.919 8.195 -6.401 1.00 0.00 N ATOM 889 CA VAL A 60 -1.831 9.315 -5.472 1.00 0.00 C ATOM 890 C VAL A 60 -1.586 10.624 -6.214 1.00 0.00 C ATOM 891 O VAL A 60 -0.719 10.721 -7.083 1.00 0.00 O ATOM 892 CB VAL A 60 -0.708 9.103 -4.442 1.00 0.00 C ATOM 893 CG1 VAL A 60 -0.596 10.307 -3.518 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.950 7.830 -3.644 1.00 0.00 C ATOM 0 H VAL A 60 -1.032 7.935 -6.833 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.786 9.370 -4.949 1.00 0.00 H new ATOM 0 HB VAL A 60 0.236 8.996 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.203 10.139 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.373 11.197 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.538 10.449 -2.989 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.146 7.696 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.902 7.905 -3.119 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.975 6.976 -4.321 1.00 0.00 H new ATOM 904 N PRO A 61 -2.366 11.658 -5.864 1.00 0.00 N ATOM 905 CA PRO A 61 -2.250 12.982 -6.483 1.00 0.00 C ATOM 906 C PRO A 61 -0.962 13.696 -6.092 1.00 0.00 C ATOM 907 O PRO A 61 -0.218 14.173 -6.950 1.00 0.00 O ATOM 908 CB PRO A 61 -3.466 13.736 -5.937 1.00 0.00 C ATOM 909 CG PRO A 61 -3.781 13.062 -4.647 1.00 0.00 C ATOM 910 CD PRO A 61 -3.419 11.614 -4.836 1.00 0.00 C ATOM 0 HA PRO A 61 -2.221 12.921 -7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.243 14.792 -5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.308 13.683 -6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.213 13.502 -3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.836 13.171 -4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.058 11.166 -3.910 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -4.276 11.025 -5.163 1.00 0.00 H new ATOM 918 N LYS A 62 -0.700 13.763 -4.791 1.00 0.00 N ATOM 919 CA LYS A 62 0.502 14.417 -4.285 1.00 0.00 C ATOM 920 C LYS A 62 0.862 13.894 -2.898 1.00 0.00 C ATOM 921 O LYS A 62 0.001 13.404 -2.167 1.00 0.00 O ATOM 922 CB LYS A 62 0.299 15.933 -4.234 1.00 0.00 C ATOM 923 CG LYS A 62 1.581 16.724 -4.427 1.00 0.00 C ATOM 924 CD LYS A 62 2.065 16.658 -5.866 1.00 0.00 C ATOM 925 CE LYS A 62 3.551 16.967 -5.968 1.00 0.00 C ATOM 926 NZ LYS A 62 3.818 18.431 -5.922 1.00 0.00 N ATOM 0 H LYS A 62 -1.304 13.372 -4.068 1.00 0.00 H new ATOM 0 HA LYS A 62 1.324 14.190 -4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.416 16.222 -5.005 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.142 16.200 -3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.414 17.764 -4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.353 16.334 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.870 15.665 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.502 17.367 -6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.081 16.476 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.945 16.555 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.842 18.600 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.333 18.897 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.466 18.820 -5.024 1.00 0.00 H new ATOM 940 N ILE A 63 2.137 14.005 -2.542 1.00 0.00 N ATOM 941 CA ILE A 63 2.610 13.545 -1.242 1.00 0.00 C ATOM 942 C ILE A 63 3.029 14.719 -0.364 1.00 0.00 C ATOM 943 O ILE A 63 3.709 15.637 -0.821 1.00 0.00 O ATOM 944 CB ILE A 63 3.797 12.574 -1.385 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.381 11.341 -2.189 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.317 12.169 -0.014 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.545 10.612 -2.821 1.00 0.00 C ATOM 0 H ILE A 63 2.861 14.409 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 63 1.779 13.020 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 63 4.600 13.080 -1.922 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.845 10.654 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.685 11.645 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.156 11.483 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.647 13.056 0.527 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.522 11.678 0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.176 9.749 -3.375 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.069 11.283 -3.502 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.231 10.277 -2.043 1.00 0.00 H new ATOM 959 N ASN A 64 2.622 14.682 0.901 1.00 0.00 N ATOM 960 CA ASN A 64 2.958 15.741 1.845 1.00 0.00 C ATOM 961 C ASN A 64 4.296 15.463 2.522 1.00 0.00 C ATOM 962 O ASN A 64 4.383 14.644 3.437 1.00 0.00 O ATOM 963 CB ASN A 64 1.859 15.881 2.900 1.00 0.00 C ATOM 964 CG ASN A 64 0.483 16.042 2.283 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.348 16.507 1.152 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.548 15.659 3.028 1.00 0.00 N ATOM 0 H ASN A 64 2.058 13.929 1.296 1.00 0.00 H new ATOM 0 HA ASN A 64 3.040 16.675 1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.864 15.003 3.545 1.00 0.00 H new ATOM 0 HB3 ASN A 64 2.074 16.742 3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.498 15.745 2.667 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.390 15.279 3.961 1.00 0.00 H new ATOM 973 N ARG A 65 5.338 16.151 2.065 1.00 0.00 N ATOM 974 CA ARG A 65 6.673 15.977 2.627 1.00 0.00 C ATOM 975 C ARG A 65 6.874 16.883 3.838 1.00 0.00 C ATOM 976 O ARG A 65 7.917 17.522 3.981 1.00 0.00 O ATOM 977 CB ARG A 65 7.737 16.278 1.569 1.00 0.00 C ATOM 978 CG ARG A 65 9.024 15.494 1.759 1.00 0.00 C ATOM 979 CD ARG A 65 8.952 14.132 1.089 1.00 0.00 C ATOM 980 NE ARG A 65 8.754 14.243 -0.354 1.00 0.00 N ATOM 981 CZ ARG A 65 9.715 14.582 -1.205 1.00 0.00 C ATOM 982 NH1 ARG A 65 10.937 14.841 -0.759 1.00 0.00 N ATOM 983 NH2 ARG A 65 9.457 14.662 -2.504 1.00 0.00 N ATOM 0 H ARG A 65 5.284 16.833 1.308 1.00 0.00 H new ATOM 0 HA ARG A 65 6.773 14.941 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.329 16.057 0.583 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.965 17.344 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.860 16.059 1.347 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.220 15.367 2.824 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.871 13.581 1.288 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.135 13.556 1.524 1.00 0.00 H new ATOM 0 HE ARG A 65 7.825 14.049 -0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.139 14.780 0.239 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.674 15.101 -1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.519 14.463 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.197 14.923 -3.156 1.00 0.00 H new ATOM 997 N SER A 66 5.871 16.932 4.708 1.00 0.00 N ATOM 998 CA SER A 66 5.936 17.762 5.905 1.00 0.00 C ATOM 999 C SER A 66 6.012 16.898 7.161 1.00 0.00 C ATOM 1000 O SER A 66 5.631 15.728 7.146 1.00 0.00 O ATOM 1001 CB SER A 66 4.717 18.684 5.979 1.00 0.00 C ATOM 1002 OG SER A 66 4.619 19.493 4.820 1.00 0.00 O ATOM 0 H SER A 66 5.003 16.406 4.606 1.00 0.00 H new ATOM 0 HA SER A 66 6.839 18.370 5.848 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.811 18.087 6.087 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.789 19.317 6.863 1.00 0.00 H new ATOM 0 HG SER A 66 3.831 20.072 4.891 1.00 0.00 H new ATOM 1008 N MET A 67 6.507 17.485 8.245 1.00 0.00 N ATOM 1009 CA MET A 67 6.633 16.771 9.510 1.00 0.00 C ATOM 1010 C MET A 67 5.430 17.040 10.409 1.00 0.00 C ATOM 1011 O MET A 67 5.571 17.183 11.622 1.00 0.00 O ATOM 1012 CB MET A 67 7.920 17.182 10.227 1.00 0.00 C ATOM 1013 CG MET A 67 8.370 16.189 11.288 1.00 0.00 C ATOM 1014 SD MET A 67 10.011 16.559 11.934 1.00 0.00 S ATOM 1015 CE MET A 67 9.932 15.761 13.536 1.00 0.00 C ATOM 0 H MET A 67 6.827 18.453 8.273 1.00 0.00 H new ATOM 0 HA MET A 67 6.671 15.704 9.293 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.715 17.299 9.490 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.771 18.156 10.693 1.00 0.00 H new ATOM 0 HG2 MET A 67 7.652 16.190 12.108 1.00 0.00 H new ATOM 0 HG3 MET A 67 8.369 15.185 10.864 1.00 0.00 H new ATOM 0 HE1 MET A 67 10.878 15.902 14.060 1.00 0.00 H new ATOM 0 HE2 MET A 67 9.124 16.200 14.122 1.00 0.00 H new ATOM 0 HE3 MET A 67 9.746 14.695 13.403 1.00 0.00 H new ATOM 1025 N GLN A 68 4.249 17.108 9.803 1.00 0.00 N ATOM 1026 CA GLN A 68 3.021 17.361 10.549 1.00 0.00 C ATOM 1027 C GLN A 68 2.148 16.112 10.601 1.00 0.00 C ATOM 1028 O GLN A 68 2.254 15.233 9.746 1.00 0.00 O ATOM 1029 CB GLN A 68 2.243 18.515 9.915 1.00 0.00 C ATOM 1030 CG GLN A 68 3.081 19.764 9.691 1.00 0.00 C ATOM 1031 CD GLN A 68 2.263 21.038 9.768 1.00 0.00 C ATOM 1032 OE1 GLN A 68 1.760 21.489 8.625 1.00 0.00 O flip ATOM 1033 NE2 GLN A 68 2.085 21.610 10.845 1.00 0.00 N flip ATOM 0 H GLN A 68 4.116 16.992 8.798 1.00 0.00 H new ATOM 0 HA GLN A 68 3.295 17.633 11.568 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.835 18.185 8.960 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.396 18.766 10.554 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.876 19.802 10.436 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.562 19.704 8.715 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.491 21.227 11.699 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.532 22.466 10.882 1.00 0.00 H new ATOM 1042 N ASN A 69 1.287 16.039 11.610 1.00 0.00 N ATOM 1043 CA ASN A 69 0.395 14.896 11.774 1.00 0.00 C ATOM 1044 C ASN A 69 -0.584 14.799 10.609 1.00 0.00 C ATOM 1045 O ASN A 69 -0.468 13.918 9.758 1.00 0.00 O ATOM 1046 CB ASN A 69 -0.371 15.006 13.093 1.00 0.00 C ATOM 1047 CG ASN A 69 0.528 14.831 14.301 1.00 0.00 C ATOM 1048 OD1 ASN A 69 1.689 15.241 14.290 1.00 0.00 O ATOM 1049 ND2 ASN A 69 -0.005 14.218 15.351 1.00 0.00 N ATOM 0 H ASN A 69 1.187 16.758 12.327 1.00 0.00 H new ATOM 0 HA ASN A 69 1.003 13.991 11.790 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.860 15.979 13.146 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.158 14.252 13.117 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.552 14.071 16.193 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.972 13.895 15.316 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.550 15.712 10.578 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.550 15.730 9.517 1.00 0.00 C ATOM 1058 C TRP A 70 -1.917 15.416 8.166 1.00 0.00 C ATOM 1059 O TRP A 70 -2.462 14.641 7.379 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.243 17.092 9.465 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.311 18.242 9.692 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -1.359 18.708 8.830 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -2.239 19.071 10.857 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -0.700 19.776 9.390 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.222 20.019 10.633 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.936 19.105 12.068 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.886 20.987 11.576 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -2.602 20.067 13.002 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -1.585 20.998 12.751 1.00 0.00 C ATOM 0 H TRP A 70 -1.661 16.448 11.275 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.291 14.961 9.737 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.724 17.210 8.494 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -4.032 17.119 10.217 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -1.154 18.297 7.852 1.00 0.00 H new ATOM 0 HE1 TRP A 70 0.055 20.302 8.951 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -3.722 18.392 12.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.101 21.704 11.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -3.134 20.102 13.941 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -1.349 21.739 13.501 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.763 16.021 7.903 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.055 15.804 6.646 1.00 0.00 C ATOM 1082 C HIS A 71 0.385 14.348 6.515 1.00 0.00 C ATOM 1083 O HIS A 71 0.106 13.695 5.510 1.00 0.00 O ATOM 1084 CB HIS A 71 1.160 16.727 6.555 1.00 0.00 C ATOM 1085 CG HIS A 71 0.827 18.111 6.090 1.00 0.00 C ATOM 1086 ND1 HIS A 71 1.604 19.212 6.387 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.205 18.570 5.344 1.00 0.00 C ATOM 1088 CE1 HIS A 71 1.062 20.288 5.844 1.00 0.00 C ATOM 1089 NE2 HIS A 71 -0.035 19.926 5.205 1.00 0.00 N ATOM 0 H HIS A 71 -0.298 16.665 8.543 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.738 16.034 5.828 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.635 16.786 7.534 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.889 16.289 5.873 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.012 17.980 4.934 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.451 21.293 5.912 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.656 20.552 4.691 1.00 0.00 H new ATOM 1098 N GLN A 72 1.076 13.850 7.536 1.00 0.00 N ATOM 1099 CA GLN A 72 1.556 12.473 7.532 1.00 0.00 C ATOM 1100 C GLN A 72 0.400 11.494 7.358 1.00 0.00 C ATOM 1101 O GLN A 72 0.519 10.498 6.642 1.00 0.00 O ATOM 1102 CB GLN A 72 2.306 12.168 8.830 1.00 0.00 C ATOM 1103 CG GLN A 72 3.737 12.684 8.840 1.00 0.00 C ATOM 1104 CD GLN A 72 4.476 12.325 10.114 1.00 0.00 C ATOM 1105 OE1 GLN A 72 4.568 11.154 10.483 1.00 0.00 O ATOM 1106 NE2 GLN A 72 5.011 13.333 10.793 1.00 0.00 N ATOM 0 H GLN A 72 1.315 14.379 8.375 1.00 0.00 H new ATOM 0 HA GLN A 72 2.238 12.355 6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.763 12.609 9.666 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.316 11.090 8.990 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.274 12.273 7.985 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.730 13.767 8.721 1.00 0.00 H new ATOM 0 HE21 GLN A 72 4.911 14.289 10.451 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.522 13.152 11.657 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.717 11.783 8.016 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.896 10.927 7.934 1.00 0.00 C ATOM 1117 C LEU A 73 -2.454 10.902 6.515 1.00 0.00 C ATOM 1118 O LEU A 73 -2.594 9.839 5.912 1.00 0.00 O ATOM 1119 CB LEU A 73 -2.971 11.412 8.909 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.921 10.814 10.315 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -3.258 9.331 10.277 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.552 11.036 10.940 1.00 0.00 C ATOM 0 H LEU A 73 -0.832 12.603 8.612 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.599 9.914 8.205 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.894 12.496 8.994 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.948 11.195 8.478 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.666 11.319 10.931 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.217 8.923 11.287 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.261 9.196 9.871 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.538 8.810 9.646 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.534 10.604 11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.789 10.558 10.325 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.350 12.105 11.003 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.768 12.081 5.987 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.309 12.195 4.638 1.00 0.00 C ATOM 1136 C GLU A 74 -2.597 11.239 3.684 1.00 0.00 C ATOM 1137 O GLU A 74 -3.225 10.616 2.830 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.178 13.632 4.131 1.00 0.00 C ATOM 1139 CG GLU A 74 -3.953 13.899 2.852 1.00 0.00 C ATOM 1140 CD GLU A 74 -5.455 13.874 3.064 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -6.027 12.767 3.128 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -6.056 14.963 3.167 1.00 0.00 O ATOM 0 H GLU A 74 -2.657 12.971 6.473 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.365 11.926 4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.526 14.315 4.906 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.124 13.854 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.662 14.870 2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.683 13.152 2.105 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.281 11.131 3.838 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.483 10.253 2.991 1.00 0.00 C ATOM 1151 C ASN A 75 -1.049 8.837 2.987 1.00 0.00 C ATOM 1152 O ASN A 75 -1.411 8.304 1.936 1.00 0.00 O ATOM 1153 CB ASN A 75 0.971 10.231 3.470 1.00 0.00 C ATOM 1154 CG ASN A 75 1.693 11.534 3.187 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.233 12.351 2.390 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.831 11.733 3.841 1.00 0.00 N ATOM 0 H ASN A 75 -0.746 11.640 4.541 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.519 10.642 1.973 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.995 10.031 4.541 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.499 9.412 2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.362 12.591 3.692 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.175 11.028 4.493 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.126 8.233 4.167 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.650 6.878 4.301 1.00 0.00 C ATOM 1165 C LEU A 76 -3.067 6.785 3.744 1.00 0.00 C ATOM 1166 O LEU A 76 -3.393 5.862 2.998 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.637 6.448 5.769 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.260 6.196 6.384 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.397 5.641 7.792 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.547 5.247 5.510 1.00 0.00 C ATOM 0 H LEU A 76 -0.832 8.660 5.046 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.009 6.208 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.139 7.217 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.228 5.537 5.865 1.00 0.00 H new ATOM 0 HG LEU A 76 0.271 7.146 6.442 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.593 5.468 8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.936 6.356 8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.947 4.700 7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.524 5.078 5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.020 4.297 5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.676 5.685 4.520 1.00 0.00 H new ATOM 1182 N SER A 77 -3.905 7.749 4.110 1.00 0.00 N ATOM 1183 CA SER A 77 -5.288 7.776 3.648 1.00 0.00 C ATOM 1184 C SER A 77 -5.352 7.826 2.125 1.00 0.00 C ATOM 1185 O SER A 77 -6.254 7.258 1.511 1.00 0.00 O ATOM 1186 CB SER A 77 -6.023 8.981 4.240 1.00 0.00 C ATOM 1187 OG SER A 77 -6.128 8.872 5.649 1.00 0.00 O ATOM 0 H SER A 77 -3.651 8.522 4.725 1.00 0.00 H new ATOM 0 HA SER A 77 -5.775 6.861 3.985 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.493 9.897 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.019 9.055 3.803 1.00 0.00 H new ATOM 0 HG SER A 77 -6.600 9.654 6.003 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.385 8.510 1.521 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.331 8.635 0.069 1.00 0.00 C ATOM 1195 C ASN A 78 -3.895 7.322 -0.574 1.00 0.00 C ATOM 1196 O ASN A 78 -4.485 6.875 -1.559 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.369 9.756 -0.331 1.00 0.00 C ATOM 1198 CG ASN A 78 -3.963 11.134 -0.111 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.182 11.298 -0.083 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.101 12.131 0.045 1.00 0.00 N ATOM 0 H ASN A 78 -3.629 8.986 2.014 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.332 8.879 -0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.448 9.664 0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.100 9.643 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.441 13.081 0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.098 11.948 0.014 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.860 6.708 -0.011 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.345 5.446 -0.529 1.00 0.00 C ATOM 1209 C PHE A 79 -3.395 4.344 -0.421 1.00 0.00 C ATOM 1210 O PHE A 79 -3.703 3.668 -1.402 1.00 0.00 O ATOM 1211 CB PHE A 79 -1.081 5.038 0.230 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.644 3.627 -0.049 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.525 3.170 -1.351 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.353 2.760 0.992 1.00 0.00 C ATOM 1215 CE1 PHE A 79 -0.124 1.872 -1.610 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.049 1.462 0.739 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.164 1.018 -0.564 1.00 0.00 C ATOM 0 H PHE A 79 -2.361 7.064 0.804 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.100 5.587 -1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.272 5.719 -0.034 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.257 5.151 1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.748 3.834 -2.173 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.441 3.102 2.013 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -0.036 1.527 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.273 0.796 1.559 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.479 0.004 -0.764 1.00 0.00 H new ATOM 1227 N ILE A 80 -3.939 4.170 0.778 1.00 0.00 N ATOM 1228 CA ILE A 80 -4.955 3.151 1.015 1.00 0.00 C ATOM 1229 C ILE A 80 -6.035 3.191 -0.061 1.00 0.00 C ATOM 1230 O ILE A 80 -6.122 2.295 -0.902 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.615 3.325 2.395 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.563 3.246 3.502 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.692 2.269 2.604 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -4.959 3.977 4.766 1.00 0.00 C ATOM 0 H ILE A 80 -3.694 4.721 1.601 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.448 2.186 0.982 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.084 4.308 2.435 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.377 2.199 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.625 3.660 3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.150 2.405 3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.454 2.368 1.831 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.245 1.277 2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.166 3.878 5.507 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.117 5.032 4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.880 3.548 5.161 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.854 4.236 -0.032 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.926 4.397 -1.006 1.00 0.00 C ATOM 1248 C LYS A 81 -7.441 4.053 -2.410 1.00 0.00 C ATOM 1249 O LYS A 81 -8.215 3.590 -3.249 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.461 5.830 -0.976 1.00 0.00 C ATOM 1251 CG LYS A 81 -7.438 6.869 -1.401 1.00 0.00 C ATOM 1252 CD LYS A 81 -8.026 8.270 -1.383 1.00 0.00 C ATOM 1253 CE LYS A 81 -8.987 8.487 -2.542 1.00 0.00 C ATOM 1254 NZ LYS A 81 -8.291 9.015 -3.747 1.00 0.00 N ATOM 0 H LYS A 81 -6.796 4.986 0.657 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.730 3.711 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.330 5.899 -1.631 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.803 6.060 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.576 6.826 -0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.078 6.637 -2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.548 8.434 -0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.222 9.004 -1.434 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.477 7.545 -2.789 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -9.769 9.183 -2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.980 9.149 -4.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.845 9.926 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.562 8.339 -4.051 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.156 4.280 -2.660 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.568 3.991 -3.962 1.00 0.00 C ATOM 1270 C ALA A 82 -5.483 2.488 -4.204 1.00 0.00 C ATOM 1271 O ALA A 82 -5.716 2.015 -5.317 1.00 0.00 O ATOM 1272 CB ALA A 82 -4.188 4.624 -4.069 1.00 0.00 C ATOM 0 H ALA A 82 -5.502 4.663 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.213 4.420 -4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.760 4.401 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.273 5.704 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.542 4.221 -3.289 1.00 0.00 H new ATOM 1278 N MET A 83 -5.147 1.742 -3.157 1.00 0.00 N ATOM 1279 CA MET A 83 -5.033 0.292 -3.257 1.00 0.00 C ATOM 1280 C MET A 83 -6.355 -0.330 -3.696 1.00 0.00 C ATOM 1281 O MET A 83 -6.384 -1.207 -4.560 1.00 0.00 O ATOM 1282 CB MET A 83 -4.597 -0.300 -1.916 1.00 0.00 C ATOM 1283 CG MET A 83 -3.155 0.014 -1.551 1.00 0.00 C ATOM 1284 SD MET A 83 -2.457 -1.175 -0.389 1.00 0.00 S ATOM 1285 CE MET A 83 -3.176 -0.606 1.150 1.00 0.00 C ATOM 0 H MET A 83 -4.949 2.118 -2.230 1.00 0.00 H new ATOM 0 HA MET A 83 -4.278 0.063 -4.009 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.252 0.078 -1.131 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.728 -1.382 -1.946 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.550 0.028 -2.457 1.00 0.00 H new ATOM 0 HG3 MET A 83 -3.103 1.013 -1.118 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.693 -1.111 1.986 1.00 0.00 H new ATOM 0 HE2 MET A 83 -3.031 0.470 1.243 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.243 -0.830 1.158 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.448 0.131 -3.095 1.00 0.00 N ATOM 1296 CA VAL A 84 -8.774 -0.379 -3.424 1.00 0.00 C ATOM 1297 C VAL A 84 -9.017 -0.345 -4.928 1.00 0.00 C ATOM 1298 O VAL A 84 -9.580 -1.280 -5.498 1.00 0.00 O ATOM 1299 CB VAL A 84 -9.878 0.430 -2.717 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.253 -0.086 -3.113 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.692 0.377 -1.208 1.00 0.00 C ATOM 0 H VAL A 84 -7.441 0.856 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.812 -1.411 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.803 1.471 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.021 0.497 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.380 0.009 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.344 -1.134 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.480 0.954 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.741 -0.659 -0.872 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.721 0.798 -0.946 1.00 0.00 H new ATOM 1311 N SER A 85 -8.590 0.740 -5.567 1.00 0.00 N ATOM 1312 CA SER A 85 -8.765 0.899 -7.006 1.00 0.00 C ATOM 1313 C SER A 85 -7.961 -0.148 -7.770 1.00 0.00 C ATOM 1314 O SER A 85 -8.427 -0.702 -8.766 1.00 0.00 O ATOM 1315 CB SER A 85 -8.340 2.303 -7.441 1.00 0.00 C ATOM 1316 OG SER A 85 -8.373 2.431 -8.852 1.00 0.00 O ATOM 0 H SER A 85 -8.120 1.522 -5.111 1.00 0.00 H new ATOM 0 HA SER A 85 -9.821 0.760 -7.236 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.001 3.043 -6.990 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.334 2.511 -7.077 1.00 0.00 H new ATOM 0 HG SER A 85 -8.099 3.337 -9.105 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.749 -0.415 -7.295 1.00 0.00 N ATOM 1323 CA TYR A 86 -5.876 -1.394 -7.934 1.00 0.00 C ATOM 1324 C TYR A 86 -6.595 -2.727 -8.116 1.00 0.00 C ATOM 1325 O TYR A 86 -6.501 -3.358 -9.167 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.607 -1.595 -7.105 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.415 -2.037 -7.922 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -2.913 -1.238 -8.943 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.789 -3.252 -7.674 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.823 -1.637 -9.692 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.698 -3.659 -8.418 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.219 -2.848 -9.426 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.133 -3.251 -10.169 1.00 0.00 O ATOM 0 H TYR A 86 -6.349 0.032 -6.470 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.602 -1.012 -8.917 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.363 -0.662 -6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.802 -2.337 -6.331 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.383 -0.289 -9.154 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.161 -3.890 -6.886 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.446 -1.004 -10.482 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.223 -4.607 -8.212 1.00 0.00 H new ATOM 0 HH TYR A 86 0.077 -2.567 -10.839 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.315 -3.150 -7.081 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.041 -4.406 -7.145 1.00 0.00 C ATOM 1345 C GLY A 87 -7.837 -5.257 -5.907 1.00 0.00 C ATOM 1346 O GLY A 87 -7.905 -6.484 -5.971 1.00 0.00 O ATOM 0 H GLY A 87 -7.409 -2.646 -6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.104 -4.202 -7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.718 -4.965 -8.023 1.00 0.00 H new ATOM 1350 N MET A 88 -7.585 -4.604 -4.777 1.00 0.00 N ATOM 1351 CA MET A 88 -7.370 -5.309 -3.519 1.00 0.00 C ATOM 1352 C MET A 88 -8.700 -5.643 -2.849 1.00 0.00 C ATOM 1353 O MET A 88 -9.764 -5.266 -3.339 1.00 0.00 O ATOM 1354 CB MET A 88 -6.510 -4.466 -2.577 1.00 0.00 C ATOM 1355 CG MET A 88 -5.134 -4.142 -3.138 1.00 0.00 C ATOM 1356 SD MET A 88 -3.889 -3.937 -1.850 1.00 0.00 S ATOM 1357 CE MET A 88 -3.571 -5.645 -1.413 1.00 0.00 C ATOM 0 H MET A 88 -7.525 -3.588 -4.707 1.00 0.00 H new ATOM 0 HA MET A 88 -6.849 -6.241 -3.739 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.032 -3.535 -2.357 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.393 -4.997 -1.632 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.824 -4.940 -3.813 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.193 -3.228 -3.729 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.915 -5.682 -0.544 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.512 -6.142 -1.178 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.092 -6.152 -2.251 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.631 -6.352 -1.727 1.00 0.00 N ATOM 1368 CA ASN A 89 -9.830 -6.737 -0.991 1.00 0.00 C ATOM 1369 C ASN A 89 -10.124 -5.742 0.128 1.00 0.00 C ATOM 1370 O ASN A 89 -9.253 -4.993 0.571 1.00 0.00 O ATOM 1371 CB ASN A 89 -9.666 -8.143 -0.409 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.147 -9.221 -1.361 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -9.957 -9.126 -2.573 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -10.776 -10.255 -0.813 1.00 0.00 N ATOM 0 H ASN A 89 -7.758 -6.672 -1.308 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.670 -6.734 -1.686 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.616 -8.315 -0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.221 -8.213 0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.123 -11.011 -1.403 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -10.911 -10.292 0.197 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.379 -5.736 0.598 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.817 -4.839 1.673 1.00 0.00 C ATOM 1383 C PRO A 90 -11.211 -5.210 3.021 1.00 0.00 C ATOM 1384 O PRO A 90 -11.397 -4.505 4.013 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.335 -5.032 1.698 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.554 -6.394 1.138 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.469 -6.602 0.119 1.00 0.00 C ATOM 0 HA PRO A 90 -11.507 -3.809 1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.727 -4.953 2.712 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.840 -4.273 1.101 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.504 -7.151 1.921 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.540 -6.474 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.160 -7.646 0.069 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.797 -6.318 -0.881 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.484 -6.323 3.051 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.848 -6.788 4.279 1.00 0.00 C ATOM 1397 C VAL A 91 -8.330 -6.800 4.141 1.00 0.00 C ATOM 1398 O VAL A 91 -7.606 -6.809 5.137 1.00 0.00 O ATOM 1399 CB VAL A 91 -10.329 -8.201 4.659 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -10.468 -9.070 3.419 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.375 -8.836 5.660 1.00 0.00 C ATOM 0 H VAL A 91 -10.321 -6.919 2.240 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.133 -6.091 5.067 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.310 -8.118 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.809 -10.064 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.193 -8.621 2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.502 -9.148 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.730 -9.834 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.380 -8.907 5.220 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.331 -8.223 6.560 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.854 -6.798 2.900 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.421 -6.807 2.632 1.00 0.00 C ATOM 1413 C ASP A 92 -5.844 -5.398 2.718 1.00 0.00 C ATOM 1414 O ASP A 92 -4.768 -5.122 2.186 1.00 0.00 O ATOM 1415 CB ASP A 92 -6.144 -7.402 1.250 1.00 0.00 C ATOM 1416 CG ASP A 92 -6.334 -8.905 1.218 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -7.172 -9.414 1.991 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -5.644 -9.573 0.419 1.00 0.00 O ATOM 0 H ASP A 92 -8.440 -6.790 2.065 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.938 -7.425 3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.807 -6.939 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.124 -7.161 0.952 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.566 -4.508 3.390 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.126 -3.126 3.546 1.00 0.00 C ATOM 1425 C LEU A 93 -5.731 -2.839 4.990 1.00 0.00 C ATOM 1426 O LEU A 93 -5.876 -3.693 5.867 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.233 -2.166 3.108 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.791 -2.381 1.701 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.095 -1.620 1.522 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.774 -1.954 0.652 1.00 0.00 C ATOM 0 H LEU A 93 -7.459 -4.719 3.836 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.251 -2.976 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.056 -2.243 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.850 -1.148 3.173 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.993 -3.444 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.477 -1.785 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.825 -1.974 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.918 -0.555 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.189 -2.114 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.539 -0.897 0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.865 -2.544 0.765 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.231 -1.633 5.234 1.00 0.00 N ATOM 1443 CA PHE A 94 -4.816 -1.232 6.574 1.00 0.00 C ATOM 1444 C PHE A 94 -5.193 0.221 6.849 1.00 0.00 C ATOM 1445 O PHE A 94 -5.152 1.062 5.952 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.307 -1.420 6.740 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.490 -0.420 5.973 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.187 -0.631 4.638 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.026 0.733 6.587 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.435 0.288 3.930 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.274 1.656 5.884 1.00 0.00 C ATOM 1452 CZ PHE A 94 -0.979 1.434 4.554 1.00 0.00 C ATOM 0 H PHE A 94 -5.103 -0.915 4.521 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.336 -1.865 7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.054 -1.349 7.798 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.036 -2.424 6.415 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.542 -1.524 4.145 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.255 0.912 7.627 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.204 0.111 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -0.918 2.550 6.375 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.393 2.154 4.002 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.559 0.505 8.094 1.00 0.00 N ATOM 1463 CA GLU A 95 -5.944 1.855 8.487 1.00 0.00 C ATOM 1464 C GLU A 95 -4.720 2.760 8.601 1.00 0.00 C ATOM 1465 O GLU A 95 -3.591 2.282 8.711 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.696 1.828 9.819 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.150 1.403 9.689 1.00 0.00 C ATOM 1468 CD GLU A 95 -8.301 0.020 9.086 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -8.228 -0.969 9.844 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -8.496 -0.071 7.855 1.00 0.00 O ATOM 0 H GLU A 95 -5.597 -0.181 8.848 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.600 2.256 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.187 1.147 10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.655 2.820 10.270 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.619 1.420 10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.682 2.125 9.070 1.00 0.00 H new ATOM 1477 N ALA A 96 -4.952 4.068 8.572 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.870 5.038 8.672 1.00 0.00 C ATOM 1479 C ALA A 96 -3.194 4.967 10.037 1.00 0.00 C ATOM 1480 O ALA A 96 -1.967 4.981 10.134 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.396 6.443 8.415 1.00 0.00 C ATOM 0 H ALA A 96 -5.881 4.480 8.480 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.126 4.795 7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.577 7.158 8.493 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.827 6.493 7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.161 6.686 9.153 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.002 4.890 11.090 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.480 4.818 12.450 1.00 0.00 C ATOM 1489 C ASN A 97 -2.634 3.563 12.641 1.00 0.00 C ATOM 1490 O ASN A 97 -1.590 3.599 13.293 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.628 4.832 13.461 1.00 0.00 C ATOM 1492 CG ASN A 97 -5.770 5.731 13.026 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -5.621 6.951 12.958 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -6.917 5.131 12.731 1.00 0.00 N ATOM 0 H ASN A 97 -5.020 4.876 11.028 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.848 5.690 12.617 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.000 3.817 13.598 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.253 5.167 14.428 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.720 5.685 12.434 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.995 4.116 12.802 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.091 2.454 12.069 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.377 1.188 12.176 1.00 0.00 C ATOM 1503 C ASP A 98 -0.870 1.405 12.078 1.00 0.00 C ATOM 1504 O ASP A 98 -0.099 0.845 12.859 1.00 0.00 O ATOM 1505 CB ASP A 98 -2.838 0.224 11.081 1.00 0.00 C ATOM 1506 CG ASP A 98 -4.195 -0.382 11.378 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -4.631 -0.317 12.547 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -4.821 -0.922 10.442 1.00 0.00 O ATOM 0 H ASP A 98 -3.953 2.407 11.526 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.601 0.753 13.150 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.880 0.753 10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.103 -0.574 10.970 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.456 2.220 11.114 1.00 0.00 N ATOM 1514 CA LEU A 99 0.960 2.510 10.912 1.00 0.00 C ATOM 1515 C LEU A 99 1.377 3.751 11.694 1.00 0.00 C ATOM 1516 O LEU A 99 2.363 3.730 12.432 1.00 0.00 O ATOM 1517 CB LEU A 99 1.253 2.709 9.425 1.00 0.00 C ATOM 1518 CG LEU A 99 2.728 2.672 9.020 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.303 1.279 9.223 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.895 3.116 7.574 1.00 0.00 C ATOM 0 H LEU A 99 -1.080 2.692 10.460 1.00 0.00 H new ATOM 0 HA LEU A 99 1.536 1.660 11.279 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.724 1.938 8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.837 3.669 9.118 1.00 0.00 H new ATOM 0 HG LEU A 99 3.278 3.365 9.657 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.353 1.272 8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.218 1.000 10.273 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.751 0.565 8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.950 3.084 7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.332 2.449 6.921 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.522 4.134 7.461 1.00 0.00 H new ATOM 1532 N PHE A 100 0.619 4.830 11.531 1.00 0.00 N ATOM 1533 CA PHE A 100 0.911 6.081 12.222 1.00 0.00 C ATOM 1534 C PHE A 100 1.212 5.829 13.697 1.00 0.00 C ATOM 1535 O PHE A 100 2.327 6.062 14.162 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.267 7.048 12.088 1.00 0.00 C ATOM 1537 CG PHE A 100 0.077 8.465 12.448 1.00 0.00 C ATOM 1538 CD1 PHE A 100 1.028 9.166 11.725 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.550 9.096 13.511 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.347 10.471 12.053 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.236 10.400 13.844 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.715 11.088 13.115 1.00 0.00 C ATOM 0 H PHE A 100 -0.202 4.864 10.927 1.00 0.00 H new ATOM 0 HA PHE A 100 1.792 6.526 11.760 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.634 7.021 11.062 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.081 6.707 12.727 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.526 8.688 10.895 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.293 8.562 14.086 1.00 0.00 H new ATOM 0 HE1 PHE A 100 2.089 11.007 11.480 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.733 10.881 14.673 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.964 12.106 13.375 1.00 0.00 H new ATOM 1552 N GLU A 101 0.207 5.354 14.427 1.00 0.00 N ATOM 1553 CA GLU A 101 0.365 5.072 15.850 1.00 0.00 C ATOM 1554 C GLU A 101 0.598 3.583 16.087 1.00 0.00 C ATOM 1555 O GLU A 101 0.105 3.014 17.061 1.00 0.00 O ATOM 1556 CB GLU A 101 -0.872 5.536 16.623 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.253 6.982 16.352 1.00 0.00 C ATOM 1558 CD GLU A 101 -1.954 7.631 17.529 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -1.254 8.128 18.436 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -3.202 7.642 17.544 1.00 0.00 O ATOM 0 H GLU A 101 -0.723 5.157 14.058 1.00 0.00 H new ATOM 0 HA GLU A 101 1.236 5.619 16.209 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.713 4.893 16.365 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.691 5.411 17.691 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.355 7.551 16.110 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.903 7.025 15.478 1.00 0.00 H new ATOM 1567 N SER A 102 1.350 2.957 15.188 1.00 0.00 N ATOM 1568 CA SER A 102 1.645 1.534 15.296 1.00 0.00 C ATOM 1569 C SER A 102 0.420 0.759 15.773 1.00 0.00 C ATOM 1570 O SER A 102 0.541 -0.313 16.363 1.00 0.00 O ATOM 1571 CB SER A 102 2.813 1.305 16.257 1.00 0.00 C ATOM 1572 OG SER A 102 2.460 1.660 17.582 1.00 0.00 O ATOM 0 H SER A 102 1.766 3.413 14.376 1.00 0.00 H new ATOM 0 HA SER A 102 1.921 1.170 14.306 1.00 0.00 H new ATOM 0 HB2 SER A 102 3.114 0.258 16.226 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.673 1.893 15.936 1.00 0.00 H new ATOM 0 HG SER A 102 1.581 2.094 17.581 1.00 0.00 H new ATOM 1578 N GLY A 103 -0.761 1.312 15.511 1.00 0.00 N ATOM 1579 CA GLY A 103 -1.991 0.661 15.920 1.00 0.00 C ATOM 1580 C GLY A 103 -2.129 -0.734 15.344 1.00 0.00 C ATOM 1581 O GLY A 103 -2.974 -1.512 15.781 1.00 0.00 O ATOM 0 H GLY A 103 -0.887 2.199 15.023 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.025 0.606 17.008 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.841 1.266 15.605 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.296 -1.049 14.357 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.331 -2.360 13.718 1.00 0.00 C ATOM 1587 C ASN A 104 -0.199 -2.500 12.704 1.00 0.00 C ATOM 1588 O ASN A 104 -0.190 -1.830 11.672 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.678 -2.577 13.027 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.081 -4.039 12.994 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.241 -4.929 13.131 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -4.372 -4.293 12.813 1.00 0.00 N ATOM 0 H ASN A 104 -0.590 -0.416 13.983 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.200 -3.118 14.491 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.446 -2.003 13.545 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.627 -2.194 12.008 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.703 -5.257 12.783 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.033 -3.524 12.704 1.00 0.00 H new ATOM 1599 N MET A 105 0.754 -3.376 13.007 1.00 0.00 N ATOM 1600 CA MET A 105 1.889 -3.606 12.122 1.00 0.00 C ATOM 1601 C MET A 105 1.716 -4.905 11.341 1.00 0.00 C ATOM 1602 O MET A 105 2.514 -5.223 10.459 1.00 0.00 O ATOM 1603 CB MET A 105 3.190 -3.651 12.926 1.00 0.00 C ATOM 1604 CG MET A 105 3.859 -2.295 13.075 1.00 0.00 C ATOM 1605 SD MET A 105 5.035 -1.951 11.752 1.00 0.00 S ATOM 1606 CE MET A 105 3.923 -1.652 10.380 1.00 0.00 C ATOM 0 H MET A 105 0.762 -3.938 13.858 1.00 0.00 H new ATOM 0 HA MET A 105 1.937 -2.780 11.413 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.982 -4.055 13.917 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.884 -4.338 12.441 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.096 -1.517 13.088 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.375 -2.252 14.034 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.445 -1.093 9.604 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.582 -2.604 9.974 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.064 -1.077 10.726 1.00 0.00 H new ATOM 1616 N THR A 106 0.668 -5.654 11.672 1.00 0.00 N ATOM 1617 CA THR A 106 0.391 -6.919 11.003 1.00 0.00 C ATOM 1618 C THR A 106 -0.491 -6.710 9.777 1.00 0.00 C ATOM 1619 O THR A 106 -0.311 -7.370 8.754 1.00 0.00 O ATOM 1620 CB THR A 106 -0.297 -7.917 11.952 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.715 -7.713 11.935 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.226 -7.761 13.373 1.00 0.00 C ATOM 0 H THR A 106 -0.003 -5.406 12.399 1.00 0.00 H new ATOM 0 HA THR A 106 1.352 -7.329 10.691 1.00 0.00 H new ATOM 0 HB THR A 106 -0.072 -8.926 11.607 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.922 -6.826 12.297 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.275 -8.476 14.026 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.300 -7.946 13.388 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.027 -6.749 13.725 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.443 -5.790 9.888 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.352 -5.496 8.787 1.00 0.00 C ATOM 1632 C GLN A 107 -1.625 -4.773 7.658 1.00 0.00 C ATOM 1633 O GLN A 107 -1.905 -5.000 6.481 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.525 -4.646 9.279 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.796 -4.835 8.467 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.457 -6.177 8.719 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -6.240 -6.329 9.656 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.142 -7.158 7.881 1.00 0.00 N ATOM 0 H GLN A 107 -1.605 -5.236 10.729 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.733 -6.442 8.402 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.729 -4.892 10.321 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.238 -3.595 9.250 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.499 -4.037 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.562 -4.743 7.406 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -4.488 -6.986 7.118 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.554 -8.083 8.001 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.690 -3.903 8.025 1.00 0.00 N ATOM 1648 CA VAL A 108 0.079 -3.147 7.042 1.00 0.00 C ATOM 1649 C VAL A 108 1.082 -4.042 6.324 1.00 0.00 C ATOM 1650 O VAL A 108 1.349 -3.860 5.136 1.00 0.00 O ATOM 1651 CB VAL A 108 0.832 -1.975 7.700 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.671 -1.234 6.670 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.146 -1.031 8.383 1.00 0.00 C ATOM 0 H VAL A 108 -0.446 -3.704 8.995 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.633 -2.751 6.318 1.00 0.00 H new ATOM 0 HB VAL A 108 1.504 -2.377 8.459 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.196 -0.410 7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.397 -1.919 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.023 -0.842 5.886 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.403 -0.209 8.843 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.844 -0.634 7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.698 -1.573 9.151 1.00 0.00 H new ATOM 1663 N GLN A 109 1.632 -5.008 7.051 1.00 0.00 N ATOM 1664 CA GLN A 109 2.607 -5.931 6.481 1.00 0.00 C ATOM 1665 C GLN A 109 1.977 -6.776 5.378 1.00 0.00 C ATOM 1666 O GLN A 109 2.471 -6.812 4.252 1.00 0.00 O ATOM 1667 CB GLN A 109 3.178 -6.840 7.572 1.00 0.00 C ATOM 1668 CG GLN A 109 4.378 -7.656 7.117 1.00 0.00 C ATOM 1669 CD GLN A 109 5.341 -7.957 8.249 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.481 -7.170 9.186 1.00 0.00 O ATOM 1671 NE2 GLN A 109 6.010 -9.100 8.168 1.00 0.00 N ATOM 0 H GLN A 109 1.420 -5.172 8.035 1.00 0.00 H new ATOM 0 HA GLN A 109 3.416 -5.343 6.047 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.467 -6.230 8.427 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.396 -7.518 7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.031 -8.593 6.681 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.904 -7.114 6.331 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.862 -9.722 7.373 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.672 -9.357 8.901 1.00 0.00 H new ATOM 1680 N VAL A 110 0.883 -7.453 5.711 1.00 0.00 N ATOM 1681 CA VAL A 110 0.184 -8.297 4.748 1.00 0.00 C ATOM 1682 C VAL A 110 -0.286 -7.486 3.546 1.00 0.00 C ATOM 1683 O VAL A 110 -0.115 -7.900 2.399 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.030 -8.994 5.390 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -0.579 -9.967 6.468 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -1.996 -7.966 5.957 1.00 0.00 C ATOM 0 H VAL A 110 0.461 -7.434 6.640 1.00 0.00 H new ATOM 0 HA VAL A 110 0.894 -9.054 4.416 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.551 -9.561 4.619 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.451 -10.450 6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 110 0.070 -10.723 6.027 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.033 -9.426 7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.848 -8.476 6.407 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.489 -7.369 6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.345 -7.314 5.156 1.00 0.00 H new ATOM 1696 N SER A 111 -0.879 -6.327 3.816 1.00 0.00 N ATOM 1697 CA SER A 111 -1.377 -5.458 2.757 1.00 0.00 C ATOM 1698 C SER A 111 -0.370 -5.360 1.615 1.00 0.00 C ATOM 1699 O SER A 111 -0.715 -5.548 0.448 1.00 0.00 O ATOM 1700 CB SER A 111 -1.676 -4.063 3.310 1.00 0.00 C ATOM 1701 OG SER A 111 -2.697 -3.426 2.564 1.00 0.00 O ATOM 0 H SER A 111 -1.026 -5.969 4.760 1.00 0.00 H new ATOM 0 HA SER A 111 -2.299 -5.892 2.369 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.979 -4.140 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.771 -3.457 3.284 1.00 0.00 H new ATOM 0 HG SER A 111 -3.383 -4.082 2.322 1.00 0.00 H new ATOM 1707 N LEU A 112 0.878 -5.062 1.961 1.00 0.00 N ATOM 1708 CA LEU A 112 1.939 -4.939 0.967 1.00 0.00 C ATOM 1709 C LEU A 112 2.252 -6.290 0.332 1.00 0.00 C ATOM 1710 O LEU A 112 2.456 -6.388 -0.878 1.00 0.00 O ATOM 1711 CB LEU A 112 3.201 -4.359 1.607 1.00 0.00 C ATOM 1712 CG LEU A 112 3.014 -3.072 2.412 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.322 -2.659 3.069 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.488 -1.957 1.522 1.00 0.00 C ATOM 0 H LEU A 112 1.180 -4.901 2.922 1.00 0.00 H new ATOM 0 HA LEU A 112 1.592 -4.263 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.632 -5.115 2.263 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.929 -4.168 0.819 1.00 0.00 H new ATOM 0 HG LEU A 112 2.280 -3.260 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.170 -1.741 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.658 -3.450 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.077 -2.489 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.361 -1.049 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.197 -1.770 0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.528 -2.252 1.099 1.00 0.00 H new ATOM 1726 N LEU A 113 2.285 -7.331 1.157 1.00 0.00 N ATOM 1727 CA LEU A 113 2.571 -8.678 0.677 1.00 0.00 C ATOM 1728 C LEU A 113 1.507 -9.141 -0.313 1.00 0.00 C ATOM 1729 O LEU A 113 1.756 -10.013 -1.144 1.00 0.00 O ATOM 1730 CB LEU A 113 2.646 -9.655 1.853 1.00 0.00 C ATOM 1731 CG LEU A 113 3.930 -9.610 2.681 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.766 -10.406 3.967 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.106 -10.139 1.871 1.00 0.00 C ATOM 0 H LEU A 113 2.117 -7.268 2.161 1.00 0.00 H new ATOM 0 HA LEU A 113 3.534 -8.657 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.803 -9.460 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.521 -10.667 1.467 1.00 0.00 H new ATOM 0 HG LEU A 113 4.133 -8.572 2.944 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.691 -10.362 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.952 -9.983 4.555 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.538 -11.444 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.012 -10.100 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.911 -11.170 1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.239 -9.526 0.979 1.00 0.00 H new ATOM 1745 N ALA A 114 0.321 -8.547 -0.221 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.778 -8.894 -1.113 1.00 0.00 C ATOM 1747 C ALA A 114 -0.797 -7.989 -2.340 1.00 0.00 C ATOM 1748 O ALA A 114 -1.098 -8.434 -3.448 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.104 -8.808 -0.372 1.00 0.00 C ATOM 0 H ALA A 114 0.097 -7.823 0.462 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.628 -9.919 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.917 -9.070 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.096 -9.500 0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.250 -7.792 -0.005 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.471 -6.717 -2.137 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.451 -5.749 -3.228 1.00 0.00 C ATOM 1757 C LEU A 115 0.715 -6.018 -4.173 1.00 0.00 C ATOM 1758 O LEU A 115 0.621 -5.775 -5.376 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.355 -4.327 -2.672 1.00 0.00 C ATOM 1760 CG LEU A 115 0.128 -3.255 -3.650 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -1.039 -2.702 -4.454 1.00 0.00 C ATOM 1762 CD2 LEU A 115 0.843 -2.137 -2.906 1.00 0.00 C ATOM 0 H LEU A 115 -0.217 -6.332 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.380 -5.851 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.338 -4.036 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.318 -4.338 -1.815 1.00 0.00 H new ATOM 0 HG LEU A 115 0.835 -3.713 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.677 -1.941 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.508 -3.509 -5.017 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.770 -2.260 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.180 -1.383 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.159 -1.680 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.703 -2.545 -2.376 1.00 0.00 H new ATOM 1774 N ALA A 116 1.813 -6.524 -3.621 1.00 0.00 N ATOM 1775 CA ALA A 116 2.996 -6.831 -4.416 1.00 0.00 C ATOM 1776 C ALA A 116 2.739 -8.008 -5.350 1.00 0.00 C ATOM 1777 O ALA A 116 2.872 -7.887 -6.567 1.00 0.00 O ATOM 1778 CB ALA A 116 4.181 -7.123 -3.507 1.00 0.00 C ATOM 0 H ALA A 116 1.908 -6.730 -2.627 1.00 0.00 H new ATOM 0 HA ALA A 116 3.229 -5.960 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.058 -7.351 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.386 -6.251 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 116 3.949 -7.976 -2.870 1.00 0.00 H new ATOM 1784 N GLY A 117 2.371 -9.147 -4.771 1.00 0.00 N ATOM 1785 CA GLY A 117 2.103 -10.331 -5.568 1.00 0.00 C ATOM 1786 C GLY A 117 1.269 -10.026 -6.797 1.00 0.00 C ATOM 1787 O GLY A 117 1.481 -10.607 -7.860 1.00 0.00 O ATOM 0 H GLY A 117 2.254 -9.271 -3.765 1.00 0.00 H new ATOM 0 HA2 GLY A 117 3.048 -10.779 -5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.585 -11.068 -4.955 1.00 0.00 H new ATOM 1791 N LYS A 118 0.314 -9.113 -6.649 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.556 -8.731 -7.755 1.00 0.00 C ATOM 1793 C LYS A 118 0.162 -7.787 -8.713 1.00 0.00 C ATOM 1794 O LYS A 118 0.074 -7.938 -9.931 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.829 -8.066 -7.223 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.716 -7.492 -8.314 1.00 0.00 C ATOM 1797 CD LYS A 118 -4.180 -7.505 -7.906 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.569 -6.224 -7.185 1.00 0.00 C ATOM 1799 NZ LYS A 118 -4.924 -5.136 -8.139 1.00 0.00 N ATOM 0 H LYS A 118 0.123 -8.624 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.826 -9.635 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.399 -8.798 -6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.552 -7.268 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.408 -6.470 -8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.587 -8.069 -9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.804 -7.630 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.371 -8.361 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -5.415 -6.420 -6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.743 -5.898 -6.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.599 -4.223 -7.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.465 -5.314 -9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -5.956 -5.110 -8.268 1.00 0.00 H new ATOM 1813 N ALA A 119 0.873 -6.814 -8.154 1.00 0.00 N ATOM 1814 CA ALA A 119 1.610 -5.847 -8.959 1.00 0.00 C ATOM 1815 C ALA A 119 2.603 -6.544 -9.881 1.00 0.00 C ATOM 1816 O ALA A 119 2.744 -6.179 -11.049 1.00 0.00 O ATOM 1817 CB ALA A 119 2.329 -4.852 -8.061 1.00 0.00 C ATOM 0 H ALA A 119 0.955 -6.674 -7.147 1.00 0.00 H new ATOM 0 HA ALA A 119 0.895 -5.308 -9.580 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.875 -4.136 -8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.600 -4.322 -7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 119 3.028 -5.384 -7.415 1.00 0.00 H new