USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 716 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 53 SER OG : rot 80:sc= 0.0733 USER MOD Set 1.2: A 93 MET CE :methyl -102:sc= -1.66 (180deg=-3!) USER MOD Set 1.3: A 95 GLN : amide:sc= -1.11 K(o=-2.7,f=-1.8) USER MOD Set 1.4: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 96 ASN : amide:sc= -4.43! C(o=-6.2!,f=-7.8!) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -1.73 X(o=-6.2,f=-5.7) USER MOD Set 3.1: A 52 TYR OH : rot -166:sc= -1.08 USER MOD Set 3.2: A 75 MET CE :methyl 174:sc= -2.65 (180deg=-2.78!) USER MOD Set 4.1: A 70 SER OG : rot -105:sc= 0 USER MOD Set 4.2: A 71 HIS : no HD1:sc=7.02e-05 X(o=7e-05,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -179:sc= 1.44 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 178:sc= 0.394 USER MOD Single : A 43 SER OG : rot 140:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.205 X(o=-0.21,f=-0.025) USER MOD Single : A 69 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 76 GLN : amide:sc= -2.66 K(o=-2.7,f=-9.3!) USER MOD Single : A 78 THR OG1 : rot -119:sc= -0.542 USER MOD Single : A 80 GLN : amide:sc= -0.126 K(o=-0.13,f=-4!) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl -168:sc= 0 (180deg=-0.149) USER MOD Single : A 86 THR OG1 : rot -120:sc= -0.454 USER MOD Single : A 88 TYR OH : rot 30:sc= -1.01 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -51:sc= 1.47 USER MOD Single : A 104 SER OG : rot 110:sc= 0.328 USER MOD Single : A 111 THR OG1 : rot -161:sc= 0.112 USER MOD Single : A 112 GLN : amide:sc= -1.01 K(o=-1,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.818 11.221 -5.624 1.00 0.00 N ATOM 183 CA LEU A 17 14.401 10.891 -5.519 1.00 0.00 C ATOM 184 C LEU A 17 13.999 10.672 -4.064 1.00 0.00 C ATOM 185 O LEU A 17 14.822 10.337 -3.211 1.00 0.00 O ATOM 186 CB LEU A 17 14.086 9.639 -6.340 1.00 0.00 C ATOM 187 CG LEU A 17 13.970 9.840 -7.852 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.043 8.504 -8.575 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.677 10.565 -8.196 1.00 0.00 C ATOM 0 HA LEU A 17 13.828 11.730 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.864 8.899 -6.150 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.149 9.217 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 17 14.807 10.455 -8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.959 8.667 -9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.996 8.023 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.227 7.864 -8.240 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.611 10.699 -9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.827 9.976 -7.851 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.665 11.539 -7.708 1.00 0.00 H new ATOM 201 N PRO A 18 12.704 10.863 -3.772 1.00 0.00 N ATOM 202 CA PRO A 18 12.163 10.689 -2.421 1.00 0.00 C ATOM 203 C PRO A 18 12.147 9.228 -1.986 1.00 0.00 C ATOM 204 O PRO A 18 12.677 8.358 -2.678 1.00 0.00 O ATOM 205 CB PRO A 18 10.736 11.228 -2.538 1.00 0.00 C ATOM 206 CG PRO A 18 10.386 11.066 -3.977 1.00 0.00 C ATOM 207 CD PRO A 18 11.668 11.262 -4.739 1.00 0.00 C ATOM 0 HA PRO A 18 12.766 11.201 -1.672 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.050 10.673 -1.899 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.681 12.273 -2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.966 10.079 -4.168 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.636 11.796 -4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.699 10.647 -5.638 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.792 12.297 -5.057 1.00 0.00 H new ATOM 215 N SER A 19 11.535 8.964 -0.836 1.00 0.00 N ATOM 216 CA SER A 19 11.452 7.607 -0.308 1.00 0.00 C ATOM 217 C SER A 19 10.007 7.233 0.006 1.00 0.00 C ATOM 218 O SER A 19 9.251 8.036 0.551 1.00 0.00 O ATOM 219 CB SER A 19 12.310 7.475 0.952 1.00 0.00 C ATOM 220 OG SER A 19 13.688 7.602 0.647 1.00 0.00 O ATOM 0 H SER A 19 11.089 9.672 -0.252 1.00 0.00 H new ATOM 0 HA SER A 19 11.828 6.924 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.022 8.240 1.673 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.126 6.509 1.421 1.00 0.00 H new ATOM 0 HG SER A 19 14.214 7.516 1.469 1.00 0.00 H new ATOM 226 N ALA A 20 9.631 6.007 -0.343 1.00 0.00 N ATOM 227 CA ALA A 20 8.277 5.525 -0.098 1.00 0.00 C ATOM 228 C ALA A 20 7.784 5.950 1.281 1.00 0.00 C ATOM 229 O ALA A 20 8.568 6.230 2.188 1.00 0.00 O ATOM 230 CB ALA A 20 8.224 4.010 -0.236 1.00 0.00 C ATOM 0 H ALA A 20 10.245 5.330 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 20 7.618 5.971 -0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.207 3.663 -0.051 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.526 3.726 -1.244 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.900 3.555 0.488 1.00 0.00 H new ATOM 236 N PRO A 21 6.454 6.001 1.445 1.00 0.00 N ATOM 237 CA PRO A 21 5.827 6.392 2.710 1.00 0.00 C ATOM 238 C PRO A 21 6.019 5.343 3.801 1.00 0.00 C ATOM 239 O PRO A 21 6.496 4.240 3.536 1.00 0.00 O ATOM 240 CB PRO A 21 4.345 6.521 2.348 1.00 0.00 C ATOM 241 CG PRO A 21 4.165 5.627 1.169 1.00 0.00 C ATOM 242 CD PRO A 21 5.460 5.681 0.407 1.00 0.00 C ATOM 0 HA PRO A 21 6.262 7.306 3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.707 6.216 3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.084 7.552 2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.939 4.608 1.483 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.333 5.961 0.549 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.679 4.731 -0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.435 6.441 -0.374 1.00 0.00 H new ATOM 250 N ARG A 22 5.644 5.695 5.026 1.00 0.00 N ATOM 251 CA ARG A 22 5.777 4.784 6.157 1.00 0.00 C ATOM 252 C ARG A 22 4.414 4.483 6.775 1.00 0.00 C ATOM 253 O ARG A 22 3.401 5.060 6.380 1.00 0.00 O ATOM 254 CB ARG A 22 6.707 5.381 7.214 1.00 0.00 C ATOM 255 CG ARG A 22 7.893 6.129 6.629 1.00 0.00 C ATOM 256 CD ARG A 22 8.745 5.225 5.751 1.00 0.00 C ATOM 257 NE ARG A 22 9.240 4.061 6.482 1.00 0.00 N ATOM 258 CZ ARG A 22 10.309 3.364 6.115 1.00 0.00 C ATOM 259 NH1 ARG A 22 10.993 3.712 5.034 1.00 0.00 N ATOM 260 NH2 ARG A 22 10.697 2.317 6.832 1.00 0.00 N ATOM 0 H ARG A 22 5.246 6.604 5.261 1.00 0.00 H new ATOM 0 HA ARG A 22 6.206 3.851 5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.136 6.061 7.846 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.074 4.581 7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.537 6.976 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.503 6.534 7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.158 4.893 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.589 5.792 5.358 1.00 0.00 H new ATOM 0 HE ARG A 22 8.737 3.768 7.320 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.699 4.517 4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.814 3.175 4.755 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.174 2.047 7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.518 1.782 6.550 1.00 0.00 H new ATOM 274 N ASP A 23 4.398 3.575 7.744 1.00 0.00 N ATOM 275 CA ASP A 23 3.161 3.198 8.417 1.00 0.00 C ATOM 276 C ASP A 23 2.078 2.839 7.404 1.00 0.00 C ATOM 277 O ASP A 23 0.949 3.322 7.489 1.00 0.00 O ATOM 278 CB ASP A 23 2.677 4.335 9.318 1.00 0.00 C ATOM 279 CG ASP A 23 3.411 4.377 10.644 1.00 0.00 C ATOM 280 OD1 ASP A 23 3.456 3.334 11.330 1.00 0.00 O ATOM 281 OD2 ASP A 23 3.942 5.451 10.994 1.00 0.00 O ATOM 0 H ASP A 23 5.228 3.086 8.081 1.00 0.00 H new ATOM 0 HA ASP A 23 3.364 2.321 9.031 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.811 5.286 8.802 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.609 4.220 9.501 1.00 0.00 H new ATOM 286 N VAL A 24 2.431 1.990 6.444 1.00 0.00 N ATOM 287 CA VAL A 24 1.491 1.567 5.414 1.00 0.00 C ATOM 288 C VAL A 24 0.522 0.519 5.951 1.00 0.00 C ATOM 289 O VAL A 24 0.901 -0.629 6.188 1.00 0.00 O ATOM 290 CB VAL A 24 2.223 0.992 4.187 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.235 0.342 3.231 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.020 2.081 3.484 1.00 0.00 C ATOM 0 H VAL A 24 3.362 1.582 6.359 1.00 0.00 H new ATOM 0 HA VAL A 24 0.933 2.453 5.112 1.00 0.00 H new ATOM 0 HB VAL A 24 2.919 0.226 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.771 -0.058 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.713 -0.467 3.742 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.512 1.085 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.531 1.657 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.345 2.871 3.155 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.756 2.496 4.173 1.00 0.00 H new ATOM 302 N VAL A 25 -0.730 0.920 6.141 1.00 0.00 N ATOM 303 CA VAL A 25 -1.755 0.016 6.648 1.00 0.00 C ATOM 304 C VAL A 25 -3.092 0.257 5.958 1.00 0.00 C ATOM 305 O VAL A 25 -3.242 1.204 5.186 1.00 0.00 O ATOM 306 CB VAL A 25 -1.939 0.173 8.169 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.592 0.157 8.875 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.699 1.453 8.484 1.00 0.00 C ATOM 0 H VAL A 25 -1.060 1.866 5.951 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.417 -0.998 6.433 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.524 -0.670 8.535 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.743 0.269 9.949 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.088 -0.789 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.022 0.979 8.507 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.820 1.548 9.563 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.142 2.310 8.105 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.680 1.420 8.010 1.00 0.00 H new ATOM 318 N ALA A 26 -4.062 -0.606 6.241 1.00 0.00 N ATOM 319 CA ALA A 26 -5.389 -0.486 5.649 1.00 0.00 C ATOM 320 C ALA A 26 -6.417 -0.053 6.689 1.00 0.00 C ATOM 321 O ALA A 26 -6.846 -0.851 7.521 1.00 0.00 O ATOM 322 CB ALA A 26 -5.804 -1.803 5.010 1.00 0.00 C ATOM 0 H ALA A 26 -3.954 -1.396 6.877 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.347 0.282 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.797 -1.698 4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.090 -2.070 4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.823 -2.585 5.769 1.00 0.00 H new ATOM 328 N SER A 27 -6.807 1.217 6.635 1.00 0.00 N ATOM 329 CA SER A 27 -7.782 1.757 7.576 1.00 0.00 C ATOM 330 C SER A 27 -9.048 0.907 7.594 1.00 0.00 C ATOM 331 O SER A 27 -9.747 0.835 8.606 1.00 0.00 O ATOM 332 CB SER A 27 -8.128 3.202 7.210 1.00 0.00 C ATOM 333 OG SER A 27 -9.345 3.603 7.816 1.00 0.00 O ATOM 0 H SER A 27 -6.463 1.890 5.950 1.00 0.00 H new ATOM 0 HA SER A 27 -7.339 1.738 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.323 3.864 7.529 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.208 3.297 6.127 1.00 0.00 H new ATOM 0 HG SER A 27 -9.544 4.530 7.568 1.00 0.00 H new ATOM 339 N LEU A 28 -9.338 0.265 6.468 1.00 0.00 N ATOM 340 CA LEU A 28 -10.521 -0.581 6.352 1.00 0.00 C ATOM 341 C LEU A 28 -10.389 -1.544 5.177 1.00 0.00 C ATOM 342 O LEU A 28 -9.679 -1.266 4.210 1.00 0.00 O ATOM 343 CB LEU A 28 -11.774 0.280 6.183 1.00 0.00 C ATOM 344 CG LEU A 28 -12.983 -0.412 5.552 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.265 0.324 5.910 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.820 -0.499 4.042 1.00 0.00 C ATOM 0 H LEU A 28 -8.770 0.314 5.622 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.610 -1.165 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.067 0.657 7.163 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.516 1.146 5.573 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.046 -1.425 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.115 -0.182 5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.388 0.334 6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.211 1.348 5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.690 -0.994 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.731 0.505 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.922 -1.070 3.805 1.00 0.00 H new ATOM 358 N VAL A 29 -11.079 -2.677 5.265 1.00 0.00 N ATOM 359 CA VAL A 29 -11.042 -3.679 4.207 1.00 0.00 C ATOM 360 C VAL A 29 -12.448 -4.036 3.739 1.00 0.00 C ATOM 361 O VAL A 29 -13.149 -4.817 4.383 1.00 0.00 O ATOM 362 CB VAL A 29 -10.328 -4.962 4.674 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.491 -6.069 3.645 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.856 -4.684 4.942 1.00 0.00 C ATOM 0 H VAL A 29 -11.670 -2.924 6.059 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.485 -3.243 3.377 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.787 -5.295 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.980 -6.967 3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.551 -6.285 3.507 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.059 -5.750 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.367 -5.601 5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.381 -4.327 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.765 -3.925 5.719 1.00 0.00 H new ATOM 374 N SER A 30 -12.855 -3.459 2.612 1.00 0.00 N ATOM 375 CA SER A 30 -14.179 -3.714 2.058 1.00 0.00 C ATOM 376 C SER A 30 -14.172 -4.965 1.185 1.00 0.00 C ATOM 377 O SER A 30 -13.115 -5.436 0.762 1.00 0.00 O ATOM 378 CB SER A 30 -14.652 -2.511 1.240 1.00 0.00 C ATOM 379 OG SER A 30 -15.577 -2.905 0.241 1.00 0.00 O ATOM 0 H SER A 30 -12.287 -2.812 2.065 1.00 0.00 H new ATOM 0 HA SER A 30 -14.868 -3.875 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.115 -1.778 1.900 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.795 -2.024 0.775 1.00 0.00 H new ATOM 0 HG SER A 30 -15.854 -2.120 -0.277 1.00 0.00 H new ATOM 385 N THR A 31 -15.359 -5.501 0.919 1.00 0.00 N ATOM 386 CA THR A 31 -15.491 -6.698 0.099 1.00 0.00 C ATOM 387 C THR A 31 -15.255 -6.384 -1.374 1.00 0.00 C ATOM 388 O THR A 31 -14.898 -7.264 -2.157 1.00 0.00 O ATOM 389 CB THR A 31 -16.883 -7.337 0.258 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.900 -6.393 -0.096 1.00 0.00 O ATOM 391 CG2 THR A 31 -17.100 -7.812 1.687 1.00 0.00 C ATOM 0 H THR A 31 -16.243 -5.124 1.260 1.00 0.00 H new ATOM 0 HA THR A 31 -14.734 -7.402 0.444 1.00 0.00 H new ATOM 0 HB THR A 31 -16.941 -8.198 -0.408 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.782 -6.808 0.006 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.090 -8.260 1.775 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.343 -8.553 1.943 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.023 -6.964 2.368 1.00 0.00 H new ATOM 399 N ARG A 32 -15.455 -5.123 -1.745 1.00 0.00 N ATOM 400 CA ARG A 32 -15.263 -4.694 -3.125 1.00 0.00 C ATOM 401 C ARG A 32 -14.143 -3.662 -3.223 1.00 0.00 C ATOM 402 O ARG A 32 -13.802 -3.202 -4.313 1.00 0.00 O ATOM 403 CB ARG A 32 -16.561 -4.107 -3.684 1.00 0.00 C ATOM 404 CG ARG A 32 -17.639 -5.148 -3.940 1.00 0.00 C ATOM 405 CD ARG A 32 -18.774 -4.579 -4.778 1.00 0.00 C ATOM 406 NE ARG A 32 -18.537 -4.750 -6.209 1.00 0.00 N ATOM 407 CZ ARG A 32 -19.099 -3.991 -7.143 1.00 0.00 C ATOM 408 NH1 ARG A 32 -19.926 -3.014 -6.798 1.00 0.00 N ATOM 409 NH2 ARG A 32 -18.834 -4.208 -8.424 1.00 0.00 N ATOM 0 H ARG A 32 -15.750 -4.382 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.983 -5.567 -3.715 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.944 -3.364 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.342 -3.586 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.203 -6.007 -4.451 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -18.032 -5.508 -2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.708 -5.070 -4.504 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.893 -3.519 -4.554 1.00 0.00 H new ATOM 0 HE ARG A 32 -17.905 -5.493 -6.508 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.132 -2.844 -5.814 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.356 -2.432 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -18.198 -4.959 -8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.266 -3.624 -9.140 1.00 0.00 H new ATOM 423 N PHE A 33 -13.574 -3.304 -2.077 1.00 0.00 N ATOM 424 CA PHE A 33 -12.494 -2.326 -2.033 1.00 0.00 C ATOM 425 C PHE A 33 -11.726 -2.422 -0.717 1.00 0.00 C ATOM 426 O PHE A 33 -12.059 -3.231 0.150 1.00 0.00 O ATOM 427 CB PHE A 33 -13.050 -0.911 -2.209 1.00 0.00 C ATOM 428 CG PHE A 33 -13.626 -0.332 -0.949 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.808 0.290 -0.019 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.986 -0.410 -0.693 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.335 0.824 1.141 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.518 0.123 0.465 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.692 0.740 1.384 1.00 0.00 C ATOM 0 H PHE A 33 -13.843 -3.677 -1.166 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.808 -2.544 -2.851 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.254 -0.259 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.822 -0.926 -2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.746 0.358 -0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.637 -0.893 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.686 1.307 1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.580 0.057 0.652 1.00 0.00 H new ATOM 0 HZ PHE A 33 -15.106 1.156 2.291 1.00 0.00 H new ATOM 443 N ILE A 34 -10.698 -1.592 -0.577 1.00 0.00 N ATOM 444 CA ILE A 34 -9.883 -1.583 0.631 1.00 0.00 C ATOM 445 C ILE A 34 -9.357 -0.184 0.929 1.00 0.00 C ATOM 446 O ILE A 34 -8.742 0.455 0.075 1.00 0.00 O ATOM 447 CB ILE A 34 -8.693 -2.553 0.515 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.191 -3.980 0.272 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.836 -2.493 1.771 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.113 -4.920 -0.220 1.00 0.00 C ATOM 0 H ILE A 34 -10.410 -0.917 -1.285 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.527 -1.908 1.448 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.080 -2.252 -0.335 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.609 -4.373 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.000 -3.955 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.999 -3.184 1.674 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.456 -1.480 1.904 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.438 -2.772 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.537 -5.913 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.711 -4.550 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.314 -4.975 0.519 1.00 0.00 H new ATOM 462 N LYS A 35 -9.601 0.288 2.147 1.00 0.00 N ATOM 463 CA LYS A 35 -9.149 1.611 2.561 1.00 0.00 C ATOM 464 C LYS A 35 -7.698 1.568 3.031 1.00 0.00 C ATOM 465 O LYS A 35 -7.357 0.835 3.960 1.00 0.00 O ATOM 466 CB LYS A 35 -10.043 2.151 3.680 1.00 0.00 C ATOM 467 CG LYS A 35 -9.832 3.627 3.967 1.00 0.00 C ATOM 468 CD LYS A 35 -10.517 4.501 2.930 1.00 0.00 C ATOM 469 CE LYS A 35 -9.924 5.901 2.901 1.00 0.00 C ATOM 470 NZ LYS A 35 -10.627 6.821 3.836 1.00 0.00 N ATOM 0 H LYS A 35 -10.110 -0.227 2.865 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.214 2.276 1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.087 1.987 3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.855 1.582 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.220 3.865 4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.764 3.847 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.420 4.043 1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.583 4.561 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.867 5.853 3.165 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.982 6.299 1.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.193 7.765 3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.630 6.887 3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.550 6.455 4.806 1.00 0.00 H new ATOM 484 N LEU A 36 -6.848 2.359 2.385 1.00 0.00 N ATOM 485 CA LEU A 36 -5.434 2.413 2.738 1.00 0.00 C ATOM 486 C LEU A 36 -5.115 3.685 3.516 1.00 0.00 C ATOM 487 O LEU A 36 -5.795 4.702 3.372 1.00 0.00 O ATOM 488 CB LEU A 36 -4.571 2.342 1.477 1.00 0.00 C ATOM 489 CG LEU A 36 -4.142 0.942 1.035 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.204 0.323 2.060 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.359 0.055 0.818 1.00 0.00 C ATOM 0 H LEU A 36 -7.114 2.972 1.614 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.210 1.556 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.120 2.807 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.675 2.940 1.640 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.607 1.028 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.909 -0.673 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.317 0.948 2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.713 0.250 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.035 -0.937 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.922 -0.025 1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.994 0.491 0.046 1.00 0.00 H new ATOM 503 N THR A 37 -4.074 3.624 4.340 1.00 0.00 N ATOM 504 CA THR A 37 -3.664 4.771 5.140 1.00 0.00 C ATOM 505 C THR A 37 -2.195 4.667 5.537 1.00 0.00 C ATOM 506 O THR A 37 -1.774 3.679 6.138 1.00 0.00 O ATOM 507 CB THR A 37 -4.520 4.903 6.414 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.565 3.650 7.106 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.933 5.350 6.072 1.00 0.00 C ATOM 0 H THR A 37 -3.499 2.792 4.471 1.00 0.00 H new ATOM 0 HA THR A 37 -3.809 5.656 4.521 1.00 0.00 H new ATOM 0 HB THR A 37 -4.063 5.656 7.056 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.110 3.743 7.915 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.519 5.436 6.987 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.897 6.318 5.571 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.397 4.617 5.412 1.00 0.00 H new ATOM 517 N TRP A 38 -1.422 5.693 5.199 1.00 0.00 N ATOM 518 CA TRP A 38 0.000 5.716 5.521 1.00 0.00 C ATOM 519 C TRP A 38 0.430 7.104 5.984 1.00 0.00 C ATOM 520 O TRP A 38 -0.330 8.067 5.878 1.00 0.00 O ATOM 521 CB TRP A 38 0.826 5.291 4.307 1.00 0.00 C ATOM 522 CG TRP A 38 0.599 6.154 3.102 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.248 7.314 2.791 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.344 5.924 2.050 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.766 7.820 1.609 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.211 6.986 1.133 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.285 4.925 1.791 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.986 7.074 -0.020 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -2.054 5.015 0.646 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.900 6.082 -0.248 1.00 0.00 C ATOM 0 H TRP A 38 -1.756 6.519 4.702 1.00 0.00 H new ATOM 0 HA TRP A 38 0.175 5.012 6.334 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.884 5.317 4.569 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.585 4.258 4.056 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.026 7.767 3.387 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.084 8.678 1.158 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.410 4.097 2.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.870 7.896 -0.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.786 4.249 0.437 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.515 6.122 -1.135 1.00 0.00 H new ATOM 541 N ARG A 39 1.652 7.200 6.496 1.00 0.00 N ATOM 542 CA ARG A 39 2.182 8.471 6.976 1.00 0.00 C ATOM 543 C ARG A 39 3.174 9.058 5.975 1.00 0.00 C ATOM 544 O ARG A 39 3.435 8.471 4.925 1.00 0.00 O ATOM 545 CB ARG A 39 2.862 8.285 8.334 1.00 0.00 C ATOM 546 CG ARG A 39 1.957 7.667 9.388 1.00 0.00 C ATOM 547 CD ARG A 39 1.088 8.718 10.061 1.00 0.00 C ATOM 548 NE ARG A 39 1.846 9.528 11.011 1.00 0.00 N ATOM 549 CZ ARG A 39 1.288 10.210 12.005 1.00 0.00 C ATOM 550 NH1 ARG A 39 -0.027 10.179 12.178 1.00 0.00 N ATOM 551 NH2 ARG A 39 2.044 10.924 12.829 1.00 0.00 N ATOM 0 H ARG A 39 2.294 6.413 6.589 1.00 0.00 H new ATOM 0 HA ARG A 39 1.349 9.165 7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.742 7.654 8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.213 9.253 8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.323 6.910 8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.564 7.160 10.138 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.649 9.365 9.302 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.263 8.229 10.579 1.00 0.00 H new ATOM 0 HE ARG A 39 2.860 9.572 10.905 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.612 9.631 11.547 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.453 10.703 12.942 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.055 10.950 12.700 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.614 11.447 13.592 1.00 0.00 H new ATOM 565 N THR A 40 3.723 10.222 6.308 1.00 0.00 N ATOM 566 CA THR A 40 4.684 10.890 5.440 1.00 0.00 C ATOM 567 C THR A 40 6.026 10.168 5.446 1.00 0.00 C ATOM 568 O THR A 40 6.475 9.650 6.469 1.00 0.00 O ATOM 569 CB THR A 40 4.901 12.355 5.864 1.00 0.00 C ATOM 570 OG1 THR A 40 4.805 12.472 7.288 1.00 0.00 O ATOM 571 CG2 THR A 40 3.877 13.267 5.204 1.00 0.00 C ATOM 0 H THR A 40 3.518 10.722 7.173 1.00 0.00 H new ATOM 0 HA THR A 40 4.267 10.868 4.433 1.00 0.00 H new ATOM 0 HB THR A 40 5.896 12.660 5.541 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.981 13.399 7.553 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.050 14.296 5.518 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.973 13.198 4.120 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.873 12.961 5.500 1.00 0.00 H new ATOM 579 N PRO A 41 6.684 10.130 4.278 1.00 0.00 N ATOM 580 CA PRO A 41 7.986 9.474 4.123 1.00 0.00 C ATOM 581 C PRO A 41 9.102 10.225 4.840 1.00 0.00 C ATOM 582 O PRO A 41 9.038 11.443 5.004 1.00 0.00 O ATOM 583 CB PRO A 41 8.215 9.493 2.610 1.00 0.00 C ATOM 584 CG PRO A 41 7.411 10.648 2.119 1.00 0.00 C ATOM 585 CD PRO A 41 6.208 10.726 3.018 1.00 0.00 C ATOM 0 HA PRO A 41 7.993 8.474 4.556 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.271 9.616 2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.890 8.560 2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.989 11.571 2.159 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.114 10.503 1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.878 11.755 3.160 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.363 10.174 2.607 1.00 0.00 H new ATOM 593 N ALA A 42 10.125 9.491 5.265 1.00 0.00 N ATOM 594 CA ALA A 42 11.257 10.088 5.962 1.00 0.00 C ATOM 595 C ALA A 42 11.834 11.258 5.172 1.00 0.00 C ATOM 596 O ALA A 42 12.199 12.286 5.742 1.00 0.00 O ATOM 597 CB ALA A 42 12.331 9.042 6.219 1.00 0.00 C ATOM 0 H ALA A 42 10.193 8.481 5.139 1.00 0.00 H new ATOM 0 HA ALA A 42 10.901 10.470 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.170 9.503 6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.919 8.240 6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.675 8.632 5.269 1.00 0.00 H new ATOM 603 N SER A 43 11.914 11.094 3.855 1.00 0.00 N ATOM 604 CA SER A 43 12.450 12.135 2.986 1.00 0.00 C ATOM 605 C SER A 43 11.548 13.365 2.990 1.00 0.00 C ATOM 606 O SER A 43 12.024 14.498 3.054 1.00 0.00 O ATOM 607 CB SER A 43 12.606 11.607 1.559 1.00 0.00 C ATOM 608 OG SER A 43 12.857 12.664 0.649 1.00 0.00 O ATOM 0 H SER A 43 11.614 10.250 3.367 1.00 0.00 H new ATOM 0 HA SER A 43 13.429 12.424 3.368 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.425 10.888 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.701 11.076 1.264 1.00 0.00 H new ATOM 0 HG SER A 43 13.529 12.380 -0.005 1.00 0.00 H new ATOM 614 N ASP A 44 10.241 13.132 2.920 1.00 0.00 N ATOM 615 CA ASP A 44 9.270 14.220 2.917 1.00 0.00 C ATOM 616 C ASP A 44 8.272 14.061 4.060 1.00 0.00 C ATOM 617 O ASP A 44 7.285 13.333 3.957 1.00 0.00 O ATOM 618 CB ASP A 44 8.530 14.266 1.579 1.00 0.00 C ATOM 619 CG ASP A 44 9.304 15.018 0.515 1.00 0.00 C ATOM 620 OD1 ASP A 44 9.209 16.263 0.481 1.00 0.00 O ATOM 621 OD2 ASP A 44 10.003 14.362 -0.286 1.00 0.00 O ATOM 0 H ASP A 44 9.830 12.200 2.865 1.00 0.00 H new ATOM 0 HA ASP A 44 9.809 15.157 3.058 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.342 13.249 1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.559 14.740 1.720 1.00 0.00 H new ATOM 626 N PRO A 45 8.534 14.757 5.175 1.00 0.00 N ATOM 627 CA PRO A 45 7.671 14.710 6.359 1.00 0.00 C ATOM 628 C PRO A 45 6.331 15.398 6.127 1.00 0.00 C ATOM 629 O PRO A 45 5.440 15.347 6.976 1.00 0.00 O ATOM 630 CB PRO A 45 8.481 15.460 7.419 1.00 0.00 C ATOM 631 CG PRO A 45 9.369 16.371 6.643 1.00 0.00 C ATOM 632 CD PRO A 45 9.693 15.645 5.367 1.00 0.00 C ATOM 0 HA PRO A 45 7.420 13.687 6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.831 16.019 8.092 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.060 14.772 8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.872 17.319 6.437 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.276 16.602 7.202 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.813 16.335 4.532 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.622 15.081 5.451 1.00 0.00 H new ATOM 640 N HIS A 46 6.193 16.042 4.973 1.00 0.00 N ATOM 641 CA HIS A 46 4.959 16.740 4.629 1.00 0.00 C ATOM 642 C HIS A 46 4.324 16.137 3.380 1.00 0.00 C ATOM 643 O HIS A 46 3.111 16.214 3.189 1.00 0.00 O ATOM 644 CB HIS A 46 5.235 18.227 4.407 1.00 0.00 C ATOM 645 CG HIS A 46 5.500 18.983 5.673 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.507 19.327 6.566 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.655 19.458 6.195 1.00 0.00 C ATOM 648 CE1 HIS A 46 5.040 19.984 7.581 1.00 0.00 C ATOM 649 NE2 HIS A 46 6.342 20.076 7.380 1.00 0.00 N ATOM 0 H HIS A 46 6.920 16.095 4.260 1.00 0.00 H new ATOM 0 HA HIS A 46 4.263 16.627 5.460 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.093 18.334 3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.381 18.675 3.898 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.639 19.368 5.760 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.502 20.379 8.430 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.007 20.532 8.004 1.00 0.00 H new ATOM 658 N GLY A 47 5.152 15.536 2.531 1.00 0.00 N ATOM 659 CA GLY A 47 4.653 14.929 1.311 1.00 0.00 C ATOM 660 C GLY A 47 3.439 15.651 0.759 1.00 0.00 C ATOM 661 O GLY A 47 2.486 15.018 0.303 1.00 0.00 O ATOM 0 H GLY A 47 6.160 15.459 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.443 14.927 0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.395 13.888 1.506 1.00 0.00 H new ATOM 665 N ASP A 48 3.472 16.978 0.802 1.00 0.00 N ATOM 666 CA ASP A 48 2.366 17.787 0.303 1.00 0.00 C ATOM 667 C ASP A 48 2.594 18.181 -1.153 1.00 0.00 C ATOM 668 O ASP A 48 1.651 18.501 -1.875 1.00 0.00 O ATOM 669 CB ASP A 48 2.194 19.040 1.163 1.00 0.00 C ATOM 670 CG ASP A 48 1.279 20.063 0.519 1.00 0.00 C ATOM 671 OD1 ASP A 48 0.104 19.729 0.258 1.00 0.00 O ATOM 672 OD2 ASP A 48 1.738 21.199 0.276 1.00 0.00 O ATOM 0 H ASP A 48 4.253 17.517 1.177 1.00 0.00 H new ATOM 0 HA ASP A 48 1.456 17.189 0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.791 18.757 2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.170 19.491 1.342 1.00 0.00 H new ATOM 677 N ASN A 49 3.854 18.157 -1.576 1.00 0.00 N ATOM 678 CA ASN A 49 4.207 18.514 -2.946 1.00 0.00 C ATOM 679 C ASN A 49 4.539 17.270 -3.763 1.00 0.00 C ATOM 680 O ASN A 49 5.263 17.342 -4.758 1.00 0.00 O ATOM 681 CB ASN A 49 5.396 19.476 -2.954 1.00 0.00 C ATOM 682 CG ASN A 49 6.327 19.254 -1.777 1.00 0.00 C ATOM 683 OD1 ASN A 49 6.667 20.192 -1.055 1.00 0.00 O ATOM 684 ND2 ASN A 49 6.744 18.009 -1.580 1.00 0.00 N ATOM 0 H ASN A 49 4.647 17.894 -0.991 1.00 0.00 H new ATOM 0 HA ASN A 49 3.347 19.007 -3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.953 19.353 -3.883 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.030 20.502 -2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.372 17.798 -0.805 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.436 17.263 -2.204 1.00 0.00 H new ATOM 691 N LEU A 50 4.006 16.130 -3.339 1.00 0.00 N ATOM 692 CA LEU A 50 4.245 14.868 -4.032 1.00 0.00 C ATOM 693 C LEU A 50 3.030 13.952 -3.930 1.00 0.00 C ATOM 694 O LEU A 50 2.429 13.815 -2.864 1.00 0.00 O ATOM 695 CB LEU A 50 5.475 14.169 -3.450 1.00 0.00 C ATOM 696 CG LEU A 50 5.706 14.355 -1.950 1.00 0.00 C ATOM 697 CD1 LEU A 50 4.981 13.277 -1.161 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.195 14.340 -1.634 1.00 0.00 C ATOM 0 H LEU A 50 3.405 16.053 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 50 4.424 15.088 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.392 13.102 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.357 14.528 -3.980 1.00 0.00 H new ATOM 0 HG LEU A 50 5.302 15.324 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.157 13.425 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.912 13.335 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.354 12.296 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.341 14.474 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.623 13.386 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.689 15.150 -2.171 1.00 0.00 H new ATOM 710 N THR A 51 2.673 13.324 -5.046 1.00 0.00 N ATOM 711 CA THR A 51 1.530 12.420 -5.083 1.00 0.00 C ATOM 712 C THR A 51 1.925 11.017 -4.635 1.00 0.00 C ATOM 713 O THR A 51 3.105 10.667 -4.626 1.00 0.00 O ATOM 714 CB THR A 51 0.919 12.344 -6.494 1.00 0.00 C ATOM 715 OG1 THR A 51 1.117 13.584 -7.182 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.567 12.028 -6.424 1.00 0.00 C ATOM 0 H THR A 51 3.159 13.425 -5.937 1.00 0.00 H new ATOM 0 HA THR A 51 0.786 12.822 -4.395 1.00 0.00 H new ATOM 0 HB THR A 51 1.419 11.544 -7.039 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.727 13.526 -8.079 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.977 11.979 -7.433 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.712 11.069 -5.927 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.079 12.809 -5.862 1.00 0.00 H new ATOM 724 N TYR A 52 0.931 10.218 -4.266 1.00 0.00 N ATOM 725 CA TYR A 52 1.175 8.852 -3.816 1.00 0.00 C ATOM 726 C TYR A 52 0.478 7.846 -4.727 1.00 0.00 C ATOM 727 O TYR A 52 -0.707 7.983 -5.031 1.00 0.00 O ATOM 728 CB TYR A 52 0.691 8.674 -2.376 1.00 0.00 C ATOM 729 CG TYR A 52 1.538 9.404 -1.358 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.808 8.948 -1.027 1.00 0.00 C ATOM 731 CD2 TYR A 52 1.067 10.548 -0.726 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.585 9.611 -0.097 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.838 11.218 0.204 1.00 0.00 C ATOM 734 CZ TYR A 52 3.096 10.746 0.515 1.00 0.00 C ATOM 735 OH TYR A 52 3.866 11.410 1.442 1.00 0.00 O ATOM 0 H TYR A 52 -0.052 10.492 -4.269 1.00 0.00 H new ATOM 0 HA TYR A 52 2.249 8.669 -3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.337 9.027 -2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.682 7.611 -2.133 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.194 8.060 -1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.082 10.920 -0.966 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.570 9.243 0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.458 12.107 0.685 1.00 0.00 H new ATOM 0 HH TYR A 52 3.307 12.044 1.938 1.00 0.00 H new ATOM 745 N SER A 53 1.224 6.833 -5.158 1.00 0.00 N ATOM 746 CA SER A 53 0.681 5.804 -6.037 1.00 0.00 C ATOM 747 C SER A 53 0.522 4.482 -5.292 1.00 0.00 C ATOM 748 O SER A 53 1.385 4.092 -4.506 1.00 0.00 O ATOM 749 CB SER A 53 1.588 5.612 -7.254 1.00 0.00 C ATOM 750 OG SER A 53 1.211 6.475 -8.313 1.00 0.00 O ATOM 0 H SER A 53 2.206 6.703 -4.913 1.00 0.00 H new ATOM 0 HA SER A 53 -0.302 6.131 -6.375 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.623 5.806 -6.974 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.537 4.576 -7.589 1.00 0.00 H new ATOM 0 HG SER A 53 1.568 7.372 -8.147 1.00 0.00 H new ATOM 756 N VAL A 54 -0.587 3.796 -5.546 1.00 0.00 N ATOM 757 CA VAL A 54 -0.860 2.517 -4.902 1.00 0.00 C ATOM 758 C VAL A 54 -1.036 1.408 -5.933 1.00 0.00 C ATOM 759 O VAL A 54 -2.049 1.349 -6.631 1.00 0.00 O ATOM 760 CB VAL A 54 -2.122 2.590 -4.022 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.455 1.219 -3.451 1.00 0.00 C ATOM 762 CG2 VAL A 54 -1.937 3.609 -2.909 1.00 0.00 C ATOM 0 H VAL A 54 -1.312 4.105 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 54 0.000 2.290 -4.273 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.958 2.912 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.349 1.290 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.633 0.519 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.621 0.865 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.838 3.647 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.089 3.320 -2.288 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.751 4.592 -3.343 1.00 0.00 H new ATOM 772 N PHE A 55 -0.043 0.530 -6.025 1.00 0.00 N ATOM 773 CA PHE A 55 -0.087 -0.578 -6.972 1.00 0.00 C ATOM 774 C PHE A 55 -0.634 -1.839 -6.309 1.00 0.00 C ATOM 775 O PHE A 55 -0.056 -2.349 -5.349 1.00 0.00 O ATOM 776 CB PHE A 55 1.309 -0.850 -7.537 1.00 0.00 C ATOM 777 CG PHE A 55 1.984 0.375 -8.083 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.530 1.321 -7.231 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.071 0.582 -9.451 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.151 2.450 -7.731 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.692 1.708 -9.957 1.00 0.00 C ATOM 782 CZ PHE A 55 3.232 2.644 -9.096 1.00 0.00 C ATOM 0 H PHE A 55 0.802 0.564 -5.455 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.754 -0.299 -7.788 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.932 -1.279 -6.753 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.233 -1.596 -8.328 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.470 1.175 -6.163 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.649 -0.145 -10.129 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.572 3.180 -7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.755 1.856 -11.025 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.716 3.525 -9.490 1.00 0.00 H new ATOM 792 N TYR A 56 -1.752 -2.335 -6.828 1.00 0.00 N ATOM 793 CA TYR A 56 -2.380 -3.534 -6.285 1.00 0.00 C ATOM 794 C TYR A 56 -2.380 -4.661 -7.313 1.00 0.00 C ATOM 795 O TYR A 56 -2.629 -4.438 -8.498 1.00 0.00 O ATOM 796 CB TYR A 56 -3.813 -3.229 -5.845 1.00 0.00 C ATOM 797 CG TYR A 56 -4.613 -2.463 -6.874 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.560 -1.076 -6.932 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.422 -3.127 -7.788 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.290 -0.372 -7.870 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.154 -2.431 -8.730 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.085 -1.054 -8.767 1.00 0.00 C ATOM 803 OH TYR A 56 -6.814 -0.357 -9.704 1.00 0.00 O ATOM 0 H TYR A 56 -2.242 -1.926 -7.624 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.802 -3.857 -5.419 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.324 -4.166 -5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.785 -2.656 -4.918 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.937 -0.539 -6.232 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.479 -4.205 -7.761 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.238 0.706 -7.901 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.777 -2.962 -9.434 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.320 -0.986 -10.259 1.00 0.00 H new ATOM 813 N THR A 57 -2.100 -5.875 -6.850 1.00 0.00 N ATOM 814 CA THR A 57 -2.067 -7.039 -7.726 1.00 0.00 C ATOM 815 C THR A 57 -2.322 -8.323 -6.946 1.00 0.00 C ATOM 816 O THR A 57 -1.667 -8.590 -5.938 1.00 0.00 O ATOM 817 CB THR A 57 -0.716 -7.155 -8.456 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.603 -8.439 -9.079 1.00 0.00 O ATOM 819 CG2 THR A 57 0.441 -6.952 -7.489 1.00 0.00 C ATOM 0 H THR A 57 -1.893 -6.078 -5.872 1.00 0.00 H new ATOM 0 HA THR A 57 -2.859 -6.902 -8.462 1.00 0.00 H new ATOM 0 HB THR A 57 -0.673 -6.377 -9.218 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.258 -8.503 -9.542 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.385 -7.038 -8.028 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.369 -5.962 -7.039 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.399 -7.710 -6.707 1.00 0.00 H new ATOM 827 N LYS A 58 -3.277 -9.118 -7.417 1.00 0.00 N ATOM 828 CA LYS A 58 -3.618 -10.376 -6.765 1.00 0.00 C ATOM 829 C LYS A 58 -2.374 -11.234 -6.555 1.00 0.00 C ATOM 830 O LYS A 58 -1.489 -11.278 -7.408 1.00 0.00 O ATOM 831 CB LYS A 58 -4.646 -11.145 -7.598 1.00 0.00 C ATOM 832 CG LYS A 58 -5.173 -12.393 -6.913 1.00 0.00 C ATOM 833 CD LYS A 58 -6.471 -12.869 -7.543 1.00 0.00 C ATOM 834 CE LYS A 58 -6.263 -13.306 -8.985 1.00 0.00 C ATOM 835 NZ LYS A 58 -7.494 -13.910 -9.565 1.00 0.00 N ATOM 0 H LYS A 58 -3.829 -8.912 -8.250 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.049 -10.146 -5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.483 -10.485 -7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.193 -11.426 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.426 -13.185 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.335 -12.187 -5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.874 -13.700 -6.964 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.209 -12.068 -7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.963 -12.447 -9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.448 -14.028 -9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.311 -14.195 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.767 -14.745 -9.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.266 -13.213 -9.544 1.00 0.00 H new ATOM 924 N GLU A 64 0.151 -5.197 -12.051 1.00 0.00 N ATOM 925 CA GLU A 64 -0.442 -4.441 -10.954 1.00 0.00 C ATOM 926 C GLU A 64 -0.973 -3.097 -11.444 1.00 0.00 C ATOM 927 O GLU A 64 -0.361 -2.448 -12.293 1.00 0.00 O ATOM 928 CB GLU A 64 0.585 -4.221 -9.842 1.00 0.00 C ATOM 929 CG GLU A 64 1.620 -3.158 -10.171 1.00 0.00 C ATOM 930 CD GLU A 64 2.337 -3.427 -11.479 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.889 -4.536 -11.637 1.00 0.00 O ATOM 932 OE2 GLU A 64 2.347 -2.528 -12.346 1.00 0.00 O ATOM 0 HA GLU A 64 -1.277 -5.020 -10.558 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.063 -3.937 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.095 -5.162 -9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.132 -2.185 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.351 -3.106 -9.364 1.00 0.00 H new ATOM 939 N ARG A 65 -2.116 -2.686 -10.904 1.00 0.00 N ATOM 940 CA ARG A 65 -2.730 -1.421 -11.288 1.00 0.00 C ATOM 941 C ARG A 65 -2.430 -0.336 -10.257 1.00 0.00 C ATOM 942 O ARG A 65 -2.517 -0.569 -9.051 1.00 0.00 O ATOM 943 CB ARG A 65 -4.243 -1.590 -11.439 1.00 0.00 C ATOM 944 CG ARG A 65 -4.640 -2.592 -12.511 1.00 0.00 C ATOM 945 CD ARG A 65 -4.542 -4.021 -12.001 1.00 0.00 C ATOM 946 NE ARG A 65 -5.043 -4.986 -12.976 1.00 0.00 N ATOM 947 CZ ARG A 65 -5.287 -6.260 -12.690 1.00 0.00 C ATOM 948 NH1 ARG A 65 -5.076 -6.720 -11.465 1.00 0.00 N ATOM 949 NH2 ARG A 65 -5.742 -7.077 -13.632 1.00 0.00 N ATOM 0 H ARG A 65 -2.635 -3.211 -10.200 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.307 -1.116 -12.245 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.662 -1.907 -10.484 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.686 -0.623 -11.676 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.660 -2.391 -12.839 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.995 -2.470 -13.381 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.503 -4.251 -11.764 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.108 -4.115 -11.074 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.215 -4.664 -13.928 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.725 -6.095 -10.739 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.264 -7.699 -11.248 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.904 -6.727 -14.576 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.929 -8.055 -13.412 1.00 0.00 H new ATOM 963 N VAL A 66 -2.075 0.850 -10.741 1.00 0.00 N ATOM 964 CA VAL A 66 -1.762 1.971 -9.862 1.00 0.00 C ATOM 965 C VAL A 66 -2.951 2.916 -9.732 1.00 0.00 C ATOM 966 O VAL A 66 -3.683 3.143 -10.694 1.00 0.00 O ATOM 967 CB VAL A 66 -0.544 2.763 -10.375 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.920 3.589 -11.596 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.017 3.649 -9.274 1.00 0.00 C ATOM 0 H VAL A 66 -1.997 1.059 -11.736 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.527 1.551 -8.884 1.00 0.00 H new ATOM 0 HB VAL A 66 0.230 2.055 -10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.047 4.142 -11.944 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.271 2.928 -12.388 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.711 4.290 -11.331 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.877 4.201 -9.654 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.749 4.351 -8.946 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.326 3.031 -8.431 1.00 0.00 H new ATOM 979 N GLU A 67 -3.136 3.464 -8.535 1.00 0.00 N ATOM 980 CA GLU A 67 -4.237 4.385 -8.279 1.00 0.00 C ATOM 981 C GLU A 67 -3.729 5.680 -7.653 1.00 0.00 C ATOM 982 O GLU A 67 -3.402 5.722 -6.468 1.00 0.00 O ATOM 983 CB GLU A 67 -5.273 3.734 -7.361 1.00 0.00 C ATOM 984 CG GLU A 67 -6.690 4.231 -7.593 1.00 0.00 C ATOM 985 CD GLU A 67 -7.087 4.200 -9.056 1.00 0.00 C ATOM 986 OE1 GLU A 67 -7.357 3.097 -9.575 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.128 5.280 -9.682 1.00 0.00 O ATOM 0 H GLU A 67 -2.538 3.286 -7.728 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.707 4.623 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.247 2.654 -7.507 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.996 3.922 -6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.385 3.618 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.779 5.250 -7.218 1.00 0.00 H new ATOM 994 N ASN A 68 -3.664 6.735 -8.459 1.00 0.00 N ATOM 995 CA ASN A 68 -3.195 8.032 -7.985 1.00 0.00 C ATOM 996 C ASN A 68 -4.230 8.686 -7.074 1.00 0.00 C ATOM 997 O ASN A 68 -5.387 8.864 -7.458 1.00 0.00 O ATOM 998 CB ASN A 68 -2.888 8.951 -9.169 1.00 0.00 C ATOM 999 CG ASN A 68 -2.015 8.279 -10.211 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -0.788 8.293 -10.112 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -2.646 7.686 -11.218 1.00 0.00 N ATOM 0 H ASN A 68 -3.930 6.717 -9.443 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.282 7.872 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.823 9.268 -9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.390 9.851 -8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -2.112 7.217 -11.950 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.665 7.699 -11.260 1.00 0.00 H new ATOM 1008 N THR A 69 -3.807 9.042 -5.866 1.00 0.00 N ATOM 1009 CA THR A 69 -4.696 9.676 -4.900 1.00 0.00 C ATOM 1010 C THR A 69 -5.385 10.894 -5.504 1.00 0.00 C ATOM 1011 O THR A 69 -4.728 11.802 -6.014 1.00 0.00 O ATOM 1012 CB THR A 69 -3.934 10.107 -3.633 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.952 11.095 -3.964 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.258 8.913 -2.976 1.00 0.00 C ATOM 0 H THR A 69 -2.853 8.902 -5.532 1.00 0.00 H new ATOM 0 HA THR A 69 -5.447 8.934 -4.628 1.00 0.00 H new ATOM 0 HB THR A 69 -4.652 10.530 -2.930 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.395 11.953 -4.132 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.726 9.242 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.011 8.176 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.552 8.465 -3.675 1.00 0.00 H new ATOM 1022 N SER A 70 -6.713 10.908 -5.444 1.00 0.00 N ATOM 1023 CA SER A 70 -7.492 12.014 -5.988 1.00 0.00 C ATOM 1024 C SER A 70 -6.750 13.337 -5.815 1.00 0.00 C ATOM 1025 O SER A 70 -6.764 14.190 -6.703 1.00 0.00 O ATOM 1026 CB SER A 70 -8.858 12.089 -5.304 1.00 0.00 C ATOM 1027 OG SER A 70 -9.653 13.120 -5.864 1.00 0.00 O ATOM 0 H SER A 70 -7.272 10.165 -5.024 1.00 0.00 H new ATOM 0 HA SER A 70 -7.637 11.835 -7.053 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.372 11.133 -5.406 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.725 12.267 -4.237 1.00 0.00 H new ATOM 0 HG SER A 70 -9.690 13.878 -5.244 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.104 13.500 -4.665 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.356 14.718 -4.374 1.00 0.00 C ATOM 1035 C HIS A 71 -3.918 14.392 -3.982 1.00 0.00 C ATOM 1036 O HIS A 71 -3.637 13.370 -3.356 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.037 15.505 -3.254 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.495 15.752 -3.496 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -7.960 16.714 -4.367 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.592 15.154 -2.977 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.281 16.699 -4.371 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.690 15.760 -3.536 1.00 0.00 N ATOM 0 H HIS A 71 -6.083 12.804 -3.919 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.338 15.328 -5.277 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.920 14.962 -2.316 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.530 16.462 -3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.602 14.349 -2.257 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.918 17.344 -4.957 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.663 15.524 -3.339 1.00 0.00 H new ATOM 1051 N PRO A 72 -2.986 15.280 -4.358 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.562 15.108 -4.056 1.00 0.00 C ATOM 1053 C PRO A 72 -1.260 15.273 -2.571 1.00 0.00 C ATOM 1054 O PRO A 72 -1.581 16.299 -1.973 1.00 0.00 O ATOM 1055 CB PRO A 72 -0.891 16.221 -4.865 1.00 0.00 C ATOM 1056 CG PRO A 72 -1.945 17.262 -5.024 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.250 16.520 -5.107 1.00 0.00 C ATOM 0 HA PRO A 72 -1.210 14.108 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.019 16.617 -4.345 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.547 15.855 -5.832 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.942 17.953 -4.181 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.775 17.855 -5.923 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.066 17.091 -4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.530 16.314 -6.140 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.640 14.255 -1.981 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.305 14.308 -0.570 1.00 0.00 C ATOM 1067 C GLY A 73 -1.208 13.431 0.274 1.00 0.00 C ATOM 1068 O GLY A 73 -0.799 12.938 1.325 1.00 0.00 O ATOM 0 H GLY A 73 -0.364 13.395 -2.455 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.730 13.996 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.376 15.338 -0.222 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.440 13.237 -0.186 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.404 12.414 0.536 1.00 0.00 C ATOM 1074 C GLU A 74 -2.709 11.252 1.239 1.00 0.00 C ATOM 1075 O GLU A 74 -2.065 10.421 0.598 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.472 11.881 -0.422 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.825 11.666 0.235 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.913 11.334 -0.768 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -7.155 12.156 -1.677 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -7.523 10.251 -0.644 1.00 0.00 O ATOM 0 H GLU A 74 -2.794 13.638 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.883 13.038 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.587 12.580 -1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.129 10.937 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.747 10.858 0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.105 12.564 0.785 1.00 0.00 H new ATOM 1087 N MET A 75 -2.844 11.201 2.560 1.00 0.00 N ATOM 1088 CA MET A 75 -2.229 10.140 3.350 1.00 0.00 C ATOM 1089 C MET A 75 -3.131 8.911 3.406 1.00 0.00 C ATOM 1090 O MET A 75 -3.001 8.075 4.299 1.00 0.00 O ATOM 1091 CB MET A 75 -1.935 10.636 4.767 1.00 0.00 C ATOM 1092 CG MET A 75 -0.886 11.735 4.821 1.00 0.00 C ATOM 1093 SD MET A 75 0.787 11.089 5.013 1.00 0.00 S ATOM 1094 CE MET A 75 1.271 10.889 3.301 1.00 0.00 C ATOM 0 H MET A 75 -3.373 11.881 3.106 1.00 0.00 H new ATOM 0 HA MET A 75 -1.292 9.859 2.869 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.859 11.005 5.213 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.601 9.796 5.375 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.940 12.328 3.908 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.110 12.405 5.651 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.320 10.598 3.251 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.658 10.116 2.837 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.130 11.831 2.771 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.045 8.809 2.446 1.00 0.00 N ATOM 1105 CA GLN A 76 -4.969 7.682 2.387 1.00 0.00 C ATOM 1106 C GLN A 76 -5.734 7.673 1.068 1.00 0.00 C ATOM 1107 O GLN A 76 -5.931 8.717 0.446 1.00 0.00 O ATOM 1108 CB GLN A 76 -5.950 7.739 3.559 1.00 0.00 C ATOM 1109 CG GLN A 76 -6.877 8.944 3.519 1.00 0.00 C ATOM 1110 CD GLN A 76 -6.188 10.225 3.946 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -5.593 10.926 3.127 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -6.265 10.538 5.234 1.00 0.00 N ATOM 0 H GLN A 76 -4.165 9.493 1.699 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.387 6.763 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.550 6.829 3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.387 7.755 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.266 9.065 2.508 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.732 8.762 4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.769 9.928 5.878 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.821 11.389 5.580 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.162 6.488 0.646 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.906 6.343 -0.599 1.00 0.00 C ATOM 1123 C VAL A 77 -7.666 5.022 -0.635 1.00 0.00 C ATOM 1124 O VAL A 77 -7.266 4.045 0.000 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.974 6.419 -1.823 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -5.043 5.216 -1.861 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.785 6.517 -3.106 1.00 0.00 C ATOM 0 H VAL A 77 -6.006 5.614 1.148 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.616 7.169 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.364 7.318 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.392 5.287 -2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.436 5.197 -0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.633 4.301 -1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.110 6.570 -3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.423 5.638 -3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.404 7.413 -3.077 1.00 0.00 H new ATOM 1137 N THR A 78 -8.765 4.997 -1.382 1.00 0.00 N ATOM 1138 CA THR A 78 -9.582 3.796 -1.500 1.00 0.00 C ATOM 1139 C THR A 78 -9.364 3.113 -2.846 1.00 0.00 C ATOM 1140 O THR A 78 -9.308 3.772 -3.885 1.00 0.00 O ATOM 1141 CB THR A 78 -11.080 4.117 -1.338 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.309 4.759 -0.078 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.918 2.850 -1.426 1.00 0.00 C ATOM 0 H THR A 78 -9.110 5.796 -1.915 1.00 0.00 H new ATOM 0 HA THR A 78 -9.273 3.124 -0.699 1.00 0.00 H new ATOM 0 HB THR A 78 -11.375 4.786 -2.146 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.917 4.212 0.462 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.972 3.102 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.763 2.378 -2.396 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.620 2.161 -0.636 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.243 1.790 -2.819 1.00 0.00 N ATOM 1152 CA ILE A 79 -9.032 1.019 -4.038 1.00 0.00 C ATOM 1153 C ILE A 79 -10.249 0.158 -4.360 1.00 0.00 C ATOM 1154 O ILE A 79 -10.370 -0.967 -3.876 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.792 0.113 -3.924 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.588 0.920 -3.434 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.489 -0.541 -5.264 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.077 1.919 -4.448 1.00 0.00 C ATOM 0 H ILE A 79 -9.287 1.230 -1.967 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.874 1.737 -4.843 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.999 -0.673 -3.197 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.863 1.449 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.782 0.234 -3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.610 -1.178 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.342 -1.144 -5.576 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.298 0.230 -6.010 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.223 2.455 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.771 1.394 -5.353 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.868 2.629 -4.690 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.146 0.693 -5.182 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.353 -0.027 -5.570 1.00 0.00 C ATOM 1172 C GLN A 80 -12.058 -1.017 -6.692 1.00 0.00 C ATOM 1173 O GLN A 80 -10.904 -1.228 -7.059 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.439 0.955 -6.012 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.594 2.149 -5.083 1.00 0.00 C ATOM 1176 CD GLN A 80 -12.764 3.340 -5.520 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -11.937 3.236 -6.426 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -12.981 4.481 -4.877 1.00 0.00 N ATOM 0 H GLN A 80 -11.060 1.623 -5.592 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.709 -0.583 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.207 1.313 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.391 0.427 -6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.644 2.438 -5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -13.303 1.859 -4.073 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.676 4.522 -4.132 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -12.452 5.316 -5.128 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.112 -1.622 -7.232 1.00 0.00 N ATOM 1188 CA ASN A 81 -12.966 -2.591 -8.312 1.00 0.00 C ATOM 1189 C ASN A 81 -12.084 -3.759 -7.880 1.00 0.00 C ATOM 1190 O ASN A 81 -11.200 -4.191 -8.620 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.371 -1.919 -9.551 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.266 -0.826 -10.102 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -14.350 -1.098 -10.619 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.815 0.418 -9.994 1.00 0.00 N ATOM 0 H ASN A 81 -14.075 -1.458 -6.939 1.00 0.00 H new ATOM 0 HA ASN A 81 -13.956 -2.977 -8.556 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.398 -1.496 -9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.202 -2.670 -10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.373 1.195 -10.347 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.910 0.596 -9.558 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.331 -4.266 -6.677 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.561 -5.385 -6.145 1.00 0.00 C ATOM 1203 C LEU A 82 -12.456 -6.595 -5.901 1.00 0.00 C ATOM 1204 O LEU A 82 -13.680 -6.475 -5.854 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.866 -4.979 -4.845 1.00 0.00 C ATOM 1206 CG LEU A 82 -9.779 -3.910 -4.970 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.175 -3.602 -3.609 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -8.700 -4.359 -5.945 1.00 0.00 C ATOM 0 H LEU A 82 -13.059 -3.920 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.806 -5.658 -6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.623 -4.619 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.422 -5.870 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.235 -2.999 -5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.404 -2.840 -3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.954 -3.238 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.734 -4.508 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.935 -3.587 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.248 -5.284 -5.587 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.144 -4.529 -6.926 1.00 0.00 H new ATOM 1220 N MET A 83 -11.837 -7.760 -5.743 1.00 0.00 N ATOM 1221 CA MET A 83 -12.578 -8.992 -5.499 1.00 0.00 C ATOM 1222 C MET A 83 -12.487 -9.400 -4.032 1.00 0.00 C ATOM 1223 O MET A 83 -11.413 -9.408 -3.431 1.00 0.00 O ATOM 1224 CB MET A 83 -12.045 -10.118 -6.387 1.00 0.00 C ATOM 1225 CG MET A 83 -12.556 -11.495 -5.996 1.00 0.00 C ATOM 1226 SD MET A 83 -12.002 -12.788 -7.124 1.00 0.00 S ATOM 1227 CE MET A 83 -13.040 -12.464 -8.547 1.00 0.00 C ATOM 0 H MET A 83 -10.824 -7.877 -5.780 1.00 0.00 H new ATOM 0 HA MET A 83 -13.625 -8.811 -5.743 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.324 -9.916 -7.421 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.956 -10.118 -6.345 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.219 -11.730 -4.986 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.646 -11.481 -5.973 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.973 -13.299 -9.244 1.00 0.00 H new ATOM 0 HE2 MET A 83 -14.074 -12.344 -8.223 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.706 -11.552 -9.041 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.640 -9.747 -3.441 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.716 -10.162 -2.037 1.00 0.00 C ATOM 1239 C PRO A 84 -13.072 -11.524 -1.799 1.00 0.00 C ATOM 1240 O PRO A 84 -12.924 -12.321 -2.725 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.222 -10.229 -1.768 1.00 0.00 C ATOM 1242 CG PRO A 84 -15.835 -10.472 -3.104 1.00 0.00 C ATOM 1243 CD PRO A 84 -14.958 -9.761 -4.097 1.00 0.00 C ATOM 0 HA PRO A 84 -13.181 -9.476 -1.380 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.464 -11.030 -1.070 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.587 -9.301 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.886 -11.539 -3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.855 -10.090 -3.141 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.926 -10.285 -5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.317 -8.752 -4.299 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.690 -11.783 -0.553 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.063 -13.049 -0.194 1.00 0.00 C ATOM 1253 C ALA A 85 -10.874 -13.350 -1.101 1.00 0.00 C ATOM 1254 O ALA A 85 -10.609 -14.506 -1.432 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.080 -14.179 -0.262 1.00 0.00 C ATOM 0 H ALA A 85 -12.804 -11.133 0.225 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.695 -12.967 0.829 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.598 -15.119 0.008 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.896 -13.976 0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.475 -14.252 -1.275 1.00 0.00 H new ATOM 1261 N THR A 86 -10.161 -12.302 -1.500 1.00 0.00 N ATOM 1262 CA THR A 86 -9.001 -12.453 -2.370 1.00 0.00 C ATOM 1263 C THR A 86 -7.846 -11.573 -1.906 1.00 0.00 C ATOM 1264 O THR A 86 -8.017 -10.374 -1.683 1.00 0.00 O ATOM 1265 CB THR A 86 -9.344 -12.102 -3.830 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.354 -12.990 -4.323 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.108 -12.191 -4.713 1.00 0.00 C ATOM 0 H THR A 86 -10.366 -11.339 -1.235 1.00 0.00 H new ATOM 0 HA THR A 86 -8.701 -13.499 -2.316 1.00 0.00 H new ATOM 0 HB THR A 86 -9.717 -11.078 -3.856 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.009 -13.479 -5.099 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.375 -11.939 -5.739 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.352 -11.493 -4.353 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.710 -13.205 -4.680 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.670 -12.175 -1.762 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.486 -11.445 -1.325 1.00 0.00 C ATOM 1277 C VAL A 87 -5.030 -10.451 -2.388 1.00 0.00 C ATOM 1278 O VAL A 87 -5.137 -10.715 -3.586 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.324 -12.402 -1.001 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.111 -11.625 -0.513 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.756 -13.435 0.029 1.00 0.00 C ATOM 0 H VAL A 87 -6.512 -13.167 -1.942 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.764 -10.904 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.045 -12.928 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.301 -12.319 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.789 -10.929 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.373 -11.070 0.388 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.922 -14.103 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.064 -12.929 0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.592 -14.014 -0.364 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.521 -9.308 -1.942 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.050 -8.274 -2.855 1.00 0.00 C ATOM 1293 C TYR A 88 -2.820 -7.569 -2.292 1.00 0.00 C ATOM 1294 O TYR A 88 -2.843 -7.055 -1.173 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.160 -7.254 -3.119 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.199 -7.732 -4.108 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.917 -7.794 -5.467 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.462 -8.124 -3.682 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.864 -8.230 -6.374 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.415 -8.562 -4.582 1.00 0.00 C ATOM 1301 CZ TYR A 88 -8.111 -8.613 -5.926 1.00 0.00 C ATOM 1302 OH TYR A 88 -9.057 -9.049 -6.826 1.00 0.00 O ATOM 0 H TYR A 88 -4.424 -9.074 -0.954 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.774 -8.753 -3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.652 -7.013 -2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.714 -6.332 -3.491 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.941 -7.496 -5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.703 -8.086 -2.630 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.629 -8.271 -7.427 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.392 -8.863 -4.235 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.612 -9.474 -7.588 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.747 -7.549 -3.075 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.508 -6.906 -2.657 1.00 0.00 C ATOM 1314 C ILE A 89 -0.494 -5.432 -3.046 1.00 0.00 C ATOM 1315 O ILE A 89 -0.315 -5.089 -4.215 1.00 0.00 O ATOM 1316 CB ILE A 89 0.722 -7.600 -3.272 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.534 -9.118 -3.268 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.983 -7.215 -2.513 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.332 -9.698 -1.886 1.00 0.00 C ATOM 0 H ILE A 89 -1.711 -7.971 -4.003 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.459 -6.993 -1.572 1.00 0.00 H new ATOM 0 HB ILE A 89 0.828 -7.269 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.326 -9.371 -3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.406 -9.585 -3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.843 -7.714 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.123 -6.135 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.888 -7.520 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.205 -10.778 -1.960 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.202 -9.476 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.557 -9.259 -1.433 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.683 -4.563 -2.059 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.691 -3.125 -2.297 1.00 0.00 C ATOM 1333 C PHE A 90 0.687 -2.522 -2.040 1.00 0.00 C ATOM 1334 O PHE A 90 1.384 -2.916 -1.105 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.732 -2.444 -1.405 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.148 -2.793 -1.763 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.761 -3.909 -1.215 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -3.867 -2.006 -2.648 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -5.064 -4.232 -1.543 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.171 -2.324 -2.979 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.770 -3.439 -2.426 1.00 0.00 C ATOM 0 H PHE A 90 -0.833 -4.830 -1.086 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.952 -2.958 -3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.548 -2.724 -0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.605 -1.364 -1.471 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.214 -4.533 -0.524 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.403 -1.134 -3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.530 -5.104 -1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.721 -1.701 -3.669 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.788 -3.690 -2.684 1.00 0.00 H new ATOM 1351 N ARG A 91 1.074 -1.566 -2.878 1.00 0.00 N ATOM 1352 CA ARG A 91 2.369 -0.910 -2.744 1.00 0.00 C ATOM 1353 C ARG A 91 2.224 0.605 -2.847 1.00 0.00 C ATOM 1354 O ARG A 91 1.813 1.131 -3.881 1.00 0.00 O ATOM 1355 CB ARG A 91 3.334 -1.415 -3.818 1.00 0.00 C ATOM 1356 CG ARG A 91 3.488 -2.927 -3.836 1.00 0.00 C ATOM 1357 CD ARG A 91 4.686 -3.355 -4.669 1.00 0.00 C ATOM 1358 NE ARG A 91 4.431 -3.226 -6.101 1.00 0.00 N ATOM 1359 CZ ARG A 91 5.392 -3.144 -7.015 1.00 0.00 C ATOM 1360 NH1 ARG A 91 6.665 -3.179 -6.647 1.00 0.00 N ATOM 1361 NH2 ARG A 91 5.080 -3.029 -8.299 1.00 0.00 N ATOM 0 H ARG A 91 0.509 -1.228 -3.657 1.00 0.00 H new ATOM 0 HA ARG A 91 2.771 -1.153 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.983 -1.082 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.312 -0.961 -3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.603 -3.294 -2.816 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.583 -3.381 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.551 -2.749 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.937 -4.390 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 91 3.462 -3.197 -6.417 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.908 -3.269 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.401 -3.116 -7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.101 -3.003 -8.586 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.819 -2.966 -9.000 1.00 0.00 H new ATOM 1375 N VAL A 92 2.565 1.302 -1.767 1.00 0.00 N ATOM 1376 CA VAL A 92 2.473 2.756 -1.735 1.00 0.00 C ATOM 1377 C VAL A 92 3.811 3.399 -2.086 1.00 0.00 C ATOM 1378 O VAL A 92 4.849 3.034 -1.535 1.00 0.00 O ATOM 1379 CB VAL A 92 2.021 3.261 -0.352 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.530 4.697 -0.441 1.00 0.00 C ATOM 1381 CG2 VAL A 92 0.941 2.354 0.219 1.00 0.00 C ATOM 0 H VAL A 92 2.907 0.882 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 92 1.729 3.042 -2.478 1.00 0.00 H new ATOM 0 HB VAL A 92 2.878 3.237 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.215 5.036 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.336 5.335 -0.804 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.687 4.751 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.633 2.725 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.082 2.344 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.333 1.342 0.322 1.00 0.00 H new ATOM 1391 N MET A 93 3.777 4.358 -3.005 1.00 0.00 N ATOM 1392 CA MET A 93 4.988 5.053 -3.428 1.00 0.00 C ATOM 1393 C MET A 93 4.740 6.553 -3.545 1.00 0.00 C ATOM 1394 O MET A 93 3.629 6.987 -3.849 1.00 0.00 O ATOM 1395 CB MET A 93 5.477 4.499 -4.768 1.00 0.00 C ATOM 1396 CG MET A 93 6.726 5.190 -5.291 1.00 0.00 C ATOM 1397 SD MET A 93 7.458 4.331 -6.697 1.00 0.00 S ATOM 1398 CE MET A 93 6.052 4.232 -7.803 1.00 0.00 C ATOM 0 H MET A 93 2.926 4.672 -3.471 1.00 0.00 H new ATOM 0 HA MET A 93 5.756 4.887 -2.672 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.680 3.434 -4.659 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.681 4.599 -5.506 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.477 6.210 -5.583 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.461 5.259 -4.489 1.00 0.00 H new ATOM 0 HE1 MET A 93 5.630 3.228 -7.766 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.296 4.955 -7.496 1.00 0.00 H new ATOM 0 HE3 MET A 93 6.373 4.453 -8.821 1.00 0.00 H new ATOM 1408 N ALA A 94 5.782 7.341 -3.301 1.00 0.00 N ATOM 1409 CA ALA A 94 5.678 8.793 -3.380 1.00 0.00 C ATOM 1410 C ALA A 94 6.158 9.305 -4.734 1.00 0.00 C ATOM 1411 O ALA A 94 6.988 8.672 -5.387 1.00 0.00 O ATOM 1412 CB ALA A 94 6.472 9.441 -2.256 1.00 0.00 C ATOM 0 H ALA A 94 6.708 6.998 -3.047 1.00 0.00 H new ATOM 0 HA ALA A 94 4.628 9.064 -3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.385 10.525 -2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.080 9.108 -1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.520 9.155 -2.339 1.00 0.00 H new ATOM 1418 N GLN A 95 5.631 10.452 -5.149 1.00 0.00 N ATOM 1419 CA GLN A 95 6.006 11.047 -6.426 1.00 0.00 C ATOM 1420 C GLN A 95 6.009 12.569 -6.338 1.00 0.00 C ATOM 1421 O GLN A 95 4.975 13.188 -6.090 1.00 0.00 O ATOM 1422 CB GLN A 95 5.048 10.589 -7.527 1.00 0.00 C ATOM 1423 CG GLN A 95 5.516 9.345 -8.264 1.00 0.00 C ATOM 1424 CD GLN A 95 4.365 8.492 -8.759 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.644 8.877 -9.680 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.187 7.326 -8.151 1.00 0.00 N ATOM 0 H GLN A 95 4.943 10.988 -4.620 1.00 0.00 H new ATOM 0 HA GLN A 95 7.015 10.714 -6.671 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.070 10.394 -7.088 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.919 11.399 -8.245 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.135 9.641 -9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.145 8.750 -7.602 1.00 0.00 H new ATOM 0 HE21 GLN A 95 4.808 7.047 -7.392 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.429 6.709 -8.443 1.00 0.00 H new ATOM 1435 N ASN A 96 7.178 13.167 -6.541 1.00 0.00 N ATOM 1436 CA ASN A 96 7.315 14.618 -6.483 1.00 0.00 C ATOM 1437 C ASN A 96 7.697 15.183 -7.848 1.00 0.00 C ATOM 1438 O ASN A 96 7.814 14.446 -8.827 1.00 0.00 O ATOM 1439 CB ASN A 96 8.367 15.011 -5.444 1.00 0.00 C ATOM 1440 CG ASN A 96 9.783 14.837 -5.960 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.479 15.814 -6.235 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.215 13.588 -6.094 1.00 0.00 N ATOM 0 H ASN A 96 8.044 12.670 -6.747 1.00 0.00 H new ATOM 0 HA ASN A 96 6.352 15.037 -6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.215 16.050 -5.152 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.233 14.405 -4.548 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.159 13.409 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.603 12.808 -5.854 1.00 0.00 H new ATOM 1449 N LYS A 97 7.890 16.496 -7.906 1.00 0.00 N ATOM 1450 CA LYS A 97 8.260 17.162 -9.149 1.00 0.00 C ATOM 1451 C LYS A 97 9.182 16.280 -9.985 1.00 0.00 C ATOM 1452 O LYS A 97 9.132 16.302 -11.215 1.00 0.00 O ATOM 1453 CB LYS A 97 8.946 18.498 -8.852 1.00 0.00 C ATOM 1454 CG LYS A 97 10.223 18.359 -8.042 1.00 0.00 C ATOM 1455 CD LYS A 97 11.100 19.593 -8.168 1.00 0.00 C ATOM 1456 CE LYS A 97 10.773 20.621 -7.097 1.00 0.00 C ATOM 1457 NZ LYS A 97 11.080 22.008 -7.546 1.00 0.00 N ATOM 0 H LYS A 97 7.796 17.121 -7.105 1.00 0.00 H new ATOM 0 HA LYS A 97 7.349 17.347 -9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.176 18.996 -9.794 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.251 19.141 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.974 18.194 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.776 17.483 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.148 19.305 -8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.965 20.038 -9.154 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.717 20.549 -6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.341 20.398 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.843 22.679 -6.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.092 22.084 -7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.519 22.231 -8.393 1.00 0.00 H new ATOM 1471 N HIS A 98 10.024 15.504 -9.309 1.00 0.00 N ATOM 1472 CA HIS A 98 10.956 14.613 -9.990 1.00 0.00 C ATOM 1473 C HIS A 98 10.215 13.458 -10.658 1.00 0.00 C ATOM 1474 O HIS A 98 10.102 13.406 -11.881 1.00 0.00 O ATOM 1475 CB HIS A 98 11.988 14.068 -9.002 1.00 0.00 C ATOM 1476 CG HIS A 98 12.688 15.135 -8.218 1.00 0.00 C ATOM 1477 ND1 HIS A 98 12.957 16.388 -8.726 1.00 0.00 N ATOM 1478 CD2 HIS A 98 13.174 15.131 -6.954 1.00 0.00 C ATOM 1479 CE1 HIS A 98 13.579 17.108 -7.810 1.00 0.00 C ATOM 1480 NE2 HIS A 98 13.723 16.368 -6.725 1.00 0.00 N ATOM 0 H HIS A 98 10.080 15.475 -8.291 1.00 0.00 H new ATOM 0 HA HIS A 98 11.470 15.187 -10.762 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.492 13.387 -8.311 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.729 13.485 -9.548 1.00 0.00 H new ATOM 0 HD2 HIS A 98 13.137 14.308 -6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.913 18.128 -7.928 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.170 16.667 -5.858 1.00 0.00 H new ATOM 1489 N GLY A 99 9.712 12.534 -9.844 1.00 0.00 N ATOM 1490 CA GLY A 99 8.989 11.393 -10.374 1.00 0.00 C ATOM 1491 C GLY A 99 8.809 10.293 -9.347 1.00 0.00 C ATOM 1492 O GLY A 99 8.604 10.566 -8.165 1.00 0.00 O ATOM 0 H GLY A 99 9.793 12.556 -8.827 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.011 11.719 -10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.524 10.996 -11.237 1.00 0.00 H new ATOM 1496 N SER A 100 8.884 9.045 -9.800 1.00 0.00 N ATOM 1497 CA SER A 100 8.722 7.899 -8.913 1.00 0.00 C ATOM 1498 C SER A 100 10.024 7.592 -8.179 1.00 0.00 C ATOM 1499 O SER A 100 11.041 7.285 -8.800 1.00 0.00 O ATOM 1500 CB SER A 100 8.269 6.673 -9.707 1.00 0.00 C ATOM 1501 OG SER A 100 7.110 6.959 -10.470 1.00 0.00 O ATOM 0 H SER A 100 9.056 8.802 -10.776 1.00 0.00 H new ATOM 0 HA SER A 100 7.959 8.147 -8.175 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.072 6.347 -10.368 1.00 0.00 H new ATOM 0 HB3 SER A 100 8.064 5.849 -9.024 1.00 0.00 H new ATOM 0 HG SER A 100 6.842 6.160 -10.970 1.00 0.00 H new ATOM 1507 N GLY A 101 9.984 7.677 -6.853 1.00 0.00 N ATOM 1508 CA GLY A 101 11.165 7.405 -6.056 1.00 0.00 C ATOM 1509 C GLY A 101 11.291 5.941 -5.686 1.00 0.00 C ATOM 1510 O GLY A 101 11.752 5.129 -6.488 1.00 0.00 O ATOM 0 H GLY A 101 9.154 7.930 -6.316 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.052 7.714 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.132 8.005 -5.146 1.00 0.00 H new ATOM 1514 N GLU A 102 10.882 5.602 -4.467 1.00 0.00 N ATOM 1515 CA GLU A 102 10.954 4.226 -3.992 1.00 0.00 C ATOM 1516 C GLU A 102 9.572 3.713 -3.597 1.00 0.00 C ATOM 1517 O GLU A 102 8.801 4.416 -2.943 1.00 0.00 O ATOM 1518 CB GLU A 102 11.908 4.123 -2.801 1.00 0.00 C ATOM 1519 CG GLU A 102 12.005 2.723 -2.218 1.00 0.00 C ATOM 1520 CD GLU A 102 13.025 2.626 -1.100 1.00 0.00 C ATOM 1521 OE1 GLU A 102 12.952 3.442 -0.158 1.00 0.00 O ATOM 1522 OE2 GLU A 102 13.895 1.733 -1.167 1.00 0.00 O ATOM 0 H GLU A 102 10.497 6.262 -3.791 1.00 0.00 H new ATOM 0 HA GLU A 102 11.333 3.608 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.901 4.447 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.578 4.810 -2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.028 2.422 -1.840 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.271 2.022 -3.009 1.00 0.00 H new ATOM 1529 N SER A 103 9.265 2.484 -3.999 1.00 0.00 N ATOM 1530 CA SER A 103 7.975 1.878 -3.690 1.00 0.00 C ATOM 1531 C SER A 103 8.012 1.182 -2.333 1.00 0.00 C ATOM 1532 O SER A 103 8.838 0.301 -2.098 1.00 0.00 O ATOM 1533 CB SER A 103 7.584 0.877 -4.779 1.00 0.00 C ATOM 1534 OG SER A 103 7.949 1.353 -6.064 1.00 0.00 O ATOM 0 H SER A 103 9.892 1.888 -4.540 1.00 0.00 H new ATOM 0 HA SER A 103 7.229 2.672 -3.651 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.071 -0.080 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.509 0.699 -4.745 1.00 0.00 H new ATOM 0 HG SER A 103 7.611 2.265 -6.183 1.00 0.00 H new ATOM 1540 N SER A 104 7.110 1.585 -1.444 1.00 0.00 N ATOM 1541 CA SER A 104 7.041 1.003 -0.108 1.00 0.00 C ATOM 1542 C SER A 104 6.974 -0.519 -0.182 1.00 0.00 C ATOM 1543 O SER A 104 6.904 -1.097 -1.266 1.00 0.00 O ATOM 1544 CB SER A 104 5.823 1.543 0.643 1.00 0.00 C ATOM 1545 OG SER A 104 4.639 0.876 0.242 1.00 0.00 O ATOM 0 H SER A 104 6.417 2.312 -1.624 1.00 0.00 H new ATOM 0 HA SER A 104 7.945 1.283 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.969 1.418 1.716 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.722 2.612 0.457 1.00 0.00 H new ATOM 0 HG SER A 104 4.321 0.306 0.973 1.00 0.00 H new ATOM 1551 N ALA A 105 6.996 -1.162 0.981 1.00 0.00 N ATOM 1552 CA ALA A 105 6.936 -2.617 1.050 1.00 0.00 C ATOM 1553 C ALA A 105 5.565 -3.131 0.623 1.00 0.00 C ATOM 1554 O ALA A 105 4.540 -2.481 0.830 1.00 0.00 O ATOM 1555 CB ALA A 105 7.265 -3.093 2.458 1.00 0.00 C ATOM 0 H ALA A 105 7.055 -0.699 1.888 1.00 0.00 H new ATOM 0 HA ALA A 105 7.677 -3.019 0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.216 -4.181 2.495 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.269 -2.765 2.728 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.545 -2.674 3.161 1.00 0.00 H new ATOM 1561 N PRO A 106 5.543 -4.325 0.012 1.00 0.00 N ATOM 1562 CA PRO A 106 4.304 -4.951 -0.457 1.00 0.00 C ATOM 1563 C PRO A 106 3.417 -5.415 0.694 1.00 0.00 C ATOM 1564 O PRO A 106 3.769 -6.338 1.430 1.00 0.00 O ATOM 1565 CB PRO A 106 4.798 -6.152 -1.267 1.00 0.00 C ATOM 1566 CG PRO A 106 6.137 -6.470 -0.696 1.00 0.00 C ATOM 1567 CD PRO A 106 6.727 -5.155 -0.267 1.00 0.00 C ATOM 0 HA PRO A 106 3.688 -4.257 -1.029 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.117 -6.998 -1.175 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.867 -5.912 -2.328 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.049 -7.152 0.149 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.771 -6.959 -1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.357 -5.266 0.616 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.348 -4.719 -1.049 1.00 0.00 H new ATOM 1575 N LEU A 107 2.266 -4.769 0.844 1.00 0.00 N ATOM 1576 CA LEU A 107 1.327 -5.116 1.906 1.00 0.00 C ATOM 1577 C LEU A 107 0.327 -6.164 1.428 1.00 0.00 C ATOM 1578 O LEU A 107 -0.362 -5.967 0.428 1.00 0.00 O ATOM 1579 CB LEU A 107 0.585 -3.867 2.385 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.465 -4.087 3.475 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.195 -4.544 4.767 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.268 -2.815 3.706 1.00 0.00 C ATOM 0 H LEU A 107 1.960 -4.003 0.244 1.00 0.00 H new ATOM 0 HA LEU A 107 1.895 -5.535 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.320 -3.152 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.097 -3.407 1.526 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.148 -4.869 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.567 -4.696 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.726 -5.480 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.900 -3.784 5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.010 -2.990 4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.598 -2.013 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.771 -2.530 2.782 1.00 0.00 H new ATOM 1594 N ARG A 108 0.253 -7.276 2.152 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.663 -8.355 1.803 1.00 0.00 C ATOM 1596 C ARG A 108 -2.005 -8.178 2.507 1.00 0.00 C ATOM 1597 O ARG A 108 -2.140 -8.479 3.693 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.055 -9.709 2.173 1.00 0.00 C ATOM 1599 CG ARG A 108 -0.980 -10.885 1.905 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.315 -12.208 2.255 1.00 0.00 C ATOM 1601 NE ARG A 108 -0.339 -12.469 3.692 1.00 0.00 N ATOM 1602 CZ ARG A 108 0.121 -13.586 4.243 1.00 0.00 C ATOM 1603 NH1 ARG A 108 0.637 -14.541 3.482 1.00 0.00 N ATOM 1604 NH2 ARG A 108 0.065 -13.751 5.559 1.00 0.00 N ATOM 0 H ARG A 108 0.816 -7.453 2.984 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.830 -8.322 0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.869 -9.849 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.212 -9.701 3.230 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.894 -10.771 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.270 -10.889 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -0.822 -13.018 1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.717 -12.199 1.905 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.730 -11.754 4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 108 0.681 -14.419 2.470 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.990 -15.398 3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.332 -13.019 6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.419 -14.610 5.981 1.00 0.00 H new ATOM 1618 N VAL A 109 -2.995 -7.688 1.768 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.327 -7.471 2.322 1.00 0.00 C ATOM 1620 C VAL A 109 -5.321 -8.490 1.777 1.00 0.00 C ATOM 1621 O VAL A 109 -5.262 -8.863 0.606 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.840 -6.052 2.011 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.140 -5.780 2.751 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.786 -5.015 2.368 1.00 0.00 C ATOM 0 H VAL A 109 -2.900 -7.434 0.785 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.244 -7.590 3.402 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.038 -5.982 0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.487 -4.773 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.894 -6.504 2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.973 -5.868 3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.165 -4.018 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.554 -5.083 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.882 -5.200 1.787 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.234 -8.936 2.634 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.241 -9.913 2.238 1.00 0.00 C ATOM 1636 C GLU A 110 -8.647 -9.378 2.491 1.00 0.00 C ATOM 1637 O GLU A 110 -9.010 -9.063 3.625 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.038 -11.225 2.998 1.00 0.00 C ATOM 1639 CG GLU A 110 -7.877 -12.374 2.464 1.00 0.00 C ATOM 1640 CD GLU A 110 -7.700 -13.648 3.267 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -6.566 -13.912 3.718 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -8.696 -14.380 3.445 1.00 0.00 O ATOM 0 H GLU A 110 -6.297 -8.636 3.607 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.129 -10.100 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.985 -11.503 2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.280 -11.067 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -8.928 -12.086 2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.608 -12.563 1.425 1.00 0.00 H new ATOM 1649 N THR A 111 -9.437 -9.277 1.426 1.00 0.00 N ATOM 1650 CA THR A 111 -10.802 -8.778 1.532 1.00 0.00 C ATOM 1651 C THR A 111 -11.682 -9.746 2.315 1.00 0.00 C ATOM 1652 O THR A 111 -11.212 -10.780 2.790 1.00 0.00 O ATOM 1653 CB THR A 111 -11.424 -8.547 0.142 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.076 -9.623 -0.737 1.00 0.00 O ATOM 1655 CG2 THR A 111 -10.950 -7.228 -0.451 1.00 0.00 C ATOM 0 H THR A 111 -9.154 -9.534 0.480 1.00 0.00 H new ATOM 0 HA THR A 111 -10.751 -7.827 2.063 1.00 0.00 H new ATOM 0 HB THR A 111 -12.507 -8.508 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.207 -9.341 -1.667 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.403 -7.087 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.243 -6.408 0.205 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.865 -7.243 -0.551 1.00 0.00 H new ATOM 1663 N GLN A 112 -12.960 -9.404 2.445 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.904 -10.244 3.171 1.00 0.00 C ATOM 1665 C GLN A 112 -14.894 -10.903 2.215 1.00 0.00 C ATOM 1666 O GLN A 112 -15.340 -10.305 1.236 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.658 -9.417 4.214 1.00 0.00 C ATOM 1668 CG GLN A 112 -13.872 -8.221 4.725 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.586 -8.621 5.421 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.240 -9.801 5.479 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -11.870 -7.638 5.954 1.00 0.00 N ATOM 0 H GLN A 112 -13.365 -8.552 2.057 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.339 -11.027 3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.595 -9.067 3.780 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -14.917 -10.058 5.057 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.638 -7.561 3.890 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.493 -7.652 5.417 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.195 -6.674 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.995 -7.847 6.435 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.246 -12.165 2.504 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.186 -12.932 1.682 1.00 0.00 C ATOM 1682 C PRO A 113 -17.613 -12.405 1.789 1.00 0.00 C ATOM 1683 O PRO A 113 -18.302 -12.650 2.780 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.093 -14.345 2.262 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.647 -14.149 3.669 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.753 -12.939 3.655 1.00 0.00 C ATOM 0 HA PRO A 113 -15.941 -12.875 0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.056 -14.854 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.384 -14.956 1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.499 -13.997 4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.112 -15.025 4.035 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.829 -12.372 4.583 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.705 -13.215 3.535 1.00 0.00 H new