USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=28 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 96 ASN : amide:sc= -4.04! C(o=-7.1!,f=-8.9!) USER MOD Set 1.2: A 98 HIS :FLIP no HD1:sc= -3.02! C(o=-8.4!,f=-7.1!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -132:sc= -1.07! (180deg=-2.61!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 52 TYR OH : rot -150:sc= -0.254 USER MOD Set 3.2: A 75 MET CE :methyl 176:sc= -1.28 (180deg=-1.31) USER MOD Set 4.1: A 53 SER OG : rot -1:sc=-0.00297 USER MOD Set 4.2: A 68 ASN : amide:sc= 0.0232 X(o=0.02,f=-0.0013) USER MOD Set 4.3: A 95 GLN : amide:sc= 0 X(o=0.02,f=0.01) 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 167:sc= 0.648 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 177:sc= 0.209 USER MOD Single : A 43 SER OG : rot -140:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.0991 X(o=-0.099,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00217 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.196 USER MOD Single : A 58 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.115) USER MOD Single : A 69 THR OG1 : rot 76:sc= 1.1 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.603 X(o=-0.6,f=-0.15) USER MOD Single : A 76 GLN : amide:sc= -1.31 K(o=-1.3,f=-5.2!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 81 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.25) USER MOD Single : A 83 MET CE :methyl -170:sc=-0.00115 (180deg=-0.166) USER MOD Single : A 86 THR OG1 : rot -160:sc= 0.783 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.0032 USER MOD Single : A 93 MET CE :methyl 144:sc= -0.231 (180deg=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ -157:sc= -0.398 (180deg=-1.25) USER MOD Single : A 100 SER OG : rot 25:sc= 0.62 USER MOD Single : A 103 SER OG : rot 14:sc= 0.137 USER MOD Single : A 104 SER OG : rot 140:sc= 0.0234 USER MOD Single : A 111 THR OG1 : rot -158:sc= 1.81 USER MOD Single : A 112 GLN : amide:sc= -0.0967 X(o=-0.097,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 182 N LEU A 17 15.789 11.207 -5.299 1.00 0.00 N ATOM 183 CA LEU A 17 14.408 10.737 -5.252 1.00 0.00 C ATOM 184 C LEU A 17 13.955 10.520 -3.812 1.00 0.00 C ATOM 185 O LEU A 17 14.744 10.171 -2.933 1.00 0.00 O ATOM 186 CB LEU A 17 14.264 9.438 -6.046 1.00 0.00 C ATOM 187 CG LEU A 17 14.014 9.592 -7.547 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.216 8.264 -8.261 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.614 10.129 -7.802 1.00 0.00 C ATOM 0 HA LEU A 17 13.774 11.502 -5.701 1.00 0.00 H new ATOM 0 HB2 LEU A 17 15.171 8.849 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.442 8.864 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 17 14.734 10.308 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.034 8.393 -9.328 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.239 7.920 -8.107 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.521 7.526 -7.861 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.454 10.232 -8.875 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.879 9.438 -7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.505 11.102 -7.324 1.00 0.00 H new ATOM 201 N PRO A 18 12.654 10.728 -3.563 1.00 0.00 N ATOM 202 CA PRO A 18 12.066 10.558 -2.231 1.00 0.00 C ATOM 203 C PRO A 18 12.015 9.095 -1.802 1.00 0.00 C ATOM 204 O PRO A 18 12.331 8.198 -2.584 1.00 0.00 O ATOM 205 CB PRO A 18 10.650 11.117 -2.394 1.00 0.00 C ATOM 206 CG PRO A 18 10.347 10.963 -3.845 1.00 0.00 C ATOM 207 CD PRO A 18 11.656 11.144 -4.563 1.00 0.00 C ATOM 0 HA PRO A 18 12.651 11.060 -1.460 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.935 10.569 -1.780 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.599 12.162 -2.088 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.921 9.982 -4.053 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.617 11.703 -4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.709 10.531 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.805 12.178 -4.873 1.00 0.00 H new ATOM 215 N SER A 19 11.615 8.862 -0.556 1.00 0.00 N ATOM 216 CA SER A 19 11.525 7.508 -0.023 1.00 0.00 C ATOM 217 C SER A 19 10.072 7.117 0.226 1.00 0.00 C ATOM 218 O SER A 19 9.271 7.926 0.694 1.00 0.00 O ATOM 219 CB SER A 19 12.325 7.395 1.277 1.00 0.00 C ATOM 220 OG SER A 19 12.057 6.170 1.936 1.00 0.00 O ATOM 0 H SER A 19 11.348 9.593 0.103 1.00 0.00 H new ATOM 0 HA SER A 19 11.945 6.825 -0.761 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.391 7.469 1.059 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.075 8.228 1.935 1.00 0.00 H new ATOM 0 HG SER A 19 12.581 6.122 2.762 1.00 0.00 H new ATOM 226 N ALA A 20 9.739 5.870 -0.092 1.00 0.00 N ATOM 227 CA ALA A 20 8.383 5.369 0.099 1.00 0.00 C ATOM 228 C ALA A 20 7.850 5.739 1.479 1.00 0.00 C ATOM 229 O ALA A 20 8.605 5.914 2.436 1.00 0.00 O ATOM 230 CB ALA A 20 8.345 3.861 -0.098 1.00 0.00 C ATOM 0 H ALA A 20 10.389 5.188 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 20 7.741 5.838 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.327 3.501 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.675 3.618 -1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.006 3.383 0.625 1.00 0.00 H new ATOM 236 N PRO A 21 6.519 5.861 1.587 1.00 0.00 N ATOM 237 CA PRO A 21 5.856 6.211 2.847 1.00 0.00 C ATOM 238 C PRO A 21 5.934 5.087 3.875 1.00 0.00 C ATOM 239 O PRO A 21 6.199 3.935 3.530 1.00 0.00 O ATOM 240 CB PRO A 21 4.403 6.451 2.428 1.00 0.00 C ATOM 241 CG PRO A 21 4.228 5.644 1.188 1.00 0.00 C ATOM 242 CD PRO A 21 5.558 5.666 0.488 1.00 0.00 C ATOM 0 HA PRO A 21 6.323 7.070 3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.709 6.135 3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.214 7.508 2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.929 4.623 1.426 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.447 6.066 0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.745 4.736 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.614 6.473 -0.243 1.00 0.00 H new ATOM 250 N ARG A 22 5.703 5.430 5.138 1.00 0.00 N ATOM 251 CA ARG A 22 5.749 4.449 6.216 1.00 0.00 C ATOM 252 C ARG A 22 4.360 4.230 6.810 1.00 0.00 C ATOM 253 O ARG A 22 3.379 4.818 6.354 1.00 0.00 O ATOM 254 CB ARG A 22 6.716 4.907 7.309 1.00 0.00 C ATOM 255 CG ARG A 22 7.861 5.762 6.790 1.00 0.00 C ATOM 256 CD ARG A 22 9.101 5.618 7.659 1.00 0.00 C ATOM 257 NE ARG A 22 9.899 4.453 7.285 1.00 0.00 N ATOM 258 CZ ARG A 22 10.912 3.993 8.011 1.00 0.00 C ATOM 259 NH1 ARG A 22 11.248 4.596 9.143 1.00 0.00 N ATOM 260 NH2 ARG A 22 11.590 2.927 7.606 1.00 0.00 N ATOM 0 H ARG A 22 5.482 6.379 5.440 1.00 0.00 H new ATOM 0 HA ARG A 22 6.101 3.505 5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.162 5.472 8.059 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.126 4.030 7.810 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.097 5.473 5.766 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.553 6.807 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.710 6.518 7.573 1.00 0.00 H new ATOM 0 HD3 ARG A 22 8.803 5.533 8.704 1.00 0.00 H new ATOM 0 HE ARG A 22 9.666 3.966 6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.728 5.415 9.458 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.026 4.241 9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.334 2.460 6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.368 2.575 8.164 1.00 0.00 H new ATOM 274 N ASP A 23 4.286 3.380 7.828 1.00 0.00 N ATOM 275 CA ASP A 23 3.019 3.083 8.485 1.00 0.00 C ATOM 276 C ASP A 23 1.953 2.702 7.463 1.00 0.00 C ATOM 277 O ASP A 23 0.776 3.023 7.628 1.00 0.00 O ATOM 278 CB ASP A 23 2.550 4.286 9.305 1.00 0.00 C ATOM 279 CG ASP A 23 3.404 4.517 10.536 1.00 0.00 C ATOM 280 OD1 ASP A 23 4.577 4.089 10.532 1.00 0.00 O ATOM 281 OD2 ASP A 23 2.900 5.124 11.503 1.00 0.00 O ATOM 0 H ASP A 23 5.089 2.885 8.216 1.00 0.00 H new ATOM 0 HA ASP A 23 3.175 2.236 9.154 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.571 5.178 8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.514 4.133 9.608 1.00 0.00 H new ATOM 286 N VAL A 24 2.373 2.016 6.405 1.00 0.00 N ATOM 287 CA VAL A 24 1.455 1.591 5.355 1.00 0.00 C ATOM 288 C VAL A 24 0.503 0.513 5.861 1.00 0.00 C ATOM 289 O VAL A 24 0.869 -0.658 5.958 1.00 0.00 O ATOM 290 CB VAL A 24 2.216 1.054 4.128 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.242 0.532 3.082 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.111 2.135 3.541 1.00 0.00 C ATOM 0 H VAL A 24 3.344 1.743 6.252 1.00 0.00 H new ATOM 0 HA VAL A 24 0.881 2.470 5.061 1.00 0.00 H new ATOM 0 HB VAL A 24 2.848 0.225 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.798 0.157 2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.647 -0.275 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.583 1.340 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.641 1.738 2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.502 2.985 3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.833 2.457 4.292 1.00 0.00 H new ATOM 302 N VAL A 25 -0.722 0.916 6.181 1.00 0.00 N ATOM 303 CA VAL A 25 -1.729 -0.015 6.675 1.00 0.00 C ATOM 304 C VAL A 25 -3.067 0.199 5.976 1.00 0.00 C ATOM 305 O VAL A 25 -3.217 1.116 5.170 1.00 0.00 O ATOM 306 CB VAL A 25 -1.928 0.129 8.196 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.585 0.190 8.907 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.763 1.361 8.509 1.00 0.00 C ATOM 0 H VAL A 25 -1.041 1.882 6.107 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.365 -1.019 6.457 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.464 -0.747 8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.746 0.292 9.980 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.027 -0.725 8.709 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.019 1.047 8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.894 1.447 9.588 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.256 2.249 8.133 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.739 1.270 8.031 1.00 0.00 H new ATOM 318 N ALA A 26 -4.037 -0.653 6.292 1.00 0.00 N ATOM 319 CA ALA A 26 -5.363 -0.555 5.696 1.00 0.00 C ATOM 320 C ALA A 26 -6.395 -0.104 6.725 1.00 0.00 C ATOM 321 O ALA A 26 -6.823 -0.886 7.573 1.00 0.00 O ATOM 322 CB ALA A 26 -5.769 -1.890 5.090 1.00 0.00 C ATOM 0 H ALA A 26 -3.929 -1.419 6.957 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.325 0.194 4.905 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.762 -1.802 4.648 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.052 -2.172 4.319 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.784 -2.653 5.868 1.00 0.00 H new ATOM 328 N SER A 27 -6.789 1.163 6.643 1.00 0.00 N ATOM 329 CA SER A 27 -7.768 1.720 7.570 1.00 0.00 C ATOM 330 C SER A 27 -9.050 0.894 7.567 1.00 0.00 C ATOM 331 O SER A 27 -9.833 0.937 8.518 1.00 0.00 O ATOM 332 CB SER A 27 -8.081 3.171 7.202 1.00 0.00 C ATOM 333 OG SER A 27 -9.244 3.627 7.873 1.00 0.00 O ATOM 0 H SER A 27 -6.446 1.823 5.945 1.00 0.00 H new ATOM 0 HA SER A 27 -7.341 1.691 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.234 3.806 7.462 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.223 3.254 6.124 1.00 0.00 H new ATOM 0 HG SER A 27 -9.422 4.558 7.623 1.00 0.00 H new ATOM 339 N LEU A 28 -9.259 0.142 6.493 1.00 0.00 N ATOM 340 CA LEU A 28 -10.447 -0.696 6.364 1.00 0.00 C ATOM 341 C LEU A 28 -10.309 -1.660 5.190 1.00 0.00 C ATOM 342 O LEU A 28 -9.605 -1.377 4.220 1.00 0.00 O ATOM 343 CB LEU A 28 -11.691 0.175 6.180 1.00 0.00 C ATOM 344 CG LEU A 28 -12.909 -0.517 5.567 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.195 0.126 6.065 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.841 -0.470 4.047 1.00 0.00 C ATOM 0 H LEU A 28 -8.622 0.095 5.698 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.551 -1.280 7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.977 0.576 7.153 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.426 1.025 5.551 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.904 -1.561 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.051 -0.379 5.618 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.248 0.040 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.208 1.179 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.716 -0.967 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.820 0.568 3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.938 -0.977 3.707 1.00 0.00 H new ATOM 358 N VAL A 29 -10.986 -2.800 5.284 1.00 0.00 N ATOM 359 CA VAL A 29 -10.942 -3.805 4.229 1.00 0.00 C ATOM 360 C VAL A 29 -12.345 -4.170 3.758 1.00 0.00 C ATOM 361 O VAL A 29 -13.043 -4.954 4.402 1.00 0.00 O ATOM 362 CB VAL A 29 -10.222 -5.083 4.701 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.460 -6.222 3.722 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.734 -4.821 4.876 1.00 0.00 C ATOM 0 H VAL A 29 -11.572 -3.051 6.081 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.386 -3.368 3.399 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.632 -5.375 5.668 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.944 -7.116 4.072 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.529 -6.424 3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.078 -5.943 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.241 -5.734 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.306 -4.504 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.588 -4.037 5.619 1.00 0.00 H new ATOM 374 N SER A 30 -12.754 -3.595 2.631 1.00 0.00 N ATOM 375 CA SER A 30 -14.076 -3.857 2.075 1.00 0.00 C ATOM 376 C SER A 30 -14.055 -5.096 1.185 1.00 0.00 C ATOM 377 O SER A 30 -12.992 -5.562 0.773 1.00 0.00 O ATOM 378 CB SER A 30 -14.564 -2.648 1.275 1.00 0.00 C ATOM 379 OG SER A 30 -15.491 -3.039 0.276 1.00 0.00 O ATOM 0 H SER A 30 -12.188 -2.945 2.085 1.00 0.00 H new ATOM 0 HA SER A 30 -14.762 -4.037 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.031 -1.927 1.947 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.714 -2.147 0.811 1.00 0.00 H new ATOM 0 HG SER A 30 -15.940 -2.245 -0.082 1.00 0.00 H new ATOM 385 N THR A 31 -15.239 -5.627 0.892 1.00 0.00 N ATOM 386 CA THR A 31 -15.358 -6.812 0.053 1.00 0.00 C ATOM 387 C THR A 31 -15.129 -6.471 -1.415 1.00 0.00 C ATOM 388 O THR A 31 -14.739 -7.329 -2.208 1.00 0.00 O ATOM 389 CB THR A 31 -16.742 -7.471 0.205 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.767 -6.471 0.174 1.00 0.00 O ATOM 391 CG2 THR A 31 -16.829 -8.253 1.506 1.00 0.00 C ATOM 0 H THR A 31 -16.129 -5.254 1.224 1.00 0.00 H new ATOM 0 HA THR A 31 -14.592 -7.513 0.385 1.00 0.00 H new ATOM 0 HB THR A 31 -16.884 -8.162 -0.626 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.644 -6.898 0.269 1.00 0.00 H new ATOM 0 HG21 THR A 31 -17.815 -8.709 1.591 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.067 -9.032 1.514 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.667 -7.579 2.347 1.00 0.00 H new ATOM 399 N ARG A 32 -15.372 -5.214 -1.771 1.00 0.00 N ATOM 400 CA ARG A 32 -15.192 -4.760 -3.145 1.00 0.00 C ATOM 401 C ARG A 32 -14.079 -3.720 -3.233 1.00 0.00 C ATOM 402 O ARG A 32 -13.747 -3.240 -4.317 1.00 0.00 O ATOM 403 CB ARG A 32 -16.497 -4.174 -3.686 1.00 0.00 C ATOM 404 CG ARG A 32 -17.707 -5.064 -3.454 1.00 0.00 C ATOM 405 CD ARG A 32 -19.007 -4.295 -3.633 1.00 0.00 C ATOM 406 NE ARG A 32 -20.171 -5.095 -3.263 1.00 0.00 N ATOM 407 CZ ARG A 32 -21.425 -4.680 -3.410 1.00 0.00 C ATOM 408 NH1 ARG A 32 -21.674 -3.480 -3.916 1.00 0.00 N ATOM 409 NH2 ARG A 32 -22.432 -5.465 -3.050 1.00 0.00 N ATOM 0 H ARG A 32 -15.694 -4.492 -1.127 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.910 -5.621 -3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.673 -3.206 -3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.389 -3.994 -4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.681 -5.904 -4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.665 -5.481 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.980 -3.391 -3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -19.100 -3.978 -4.672 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.013 -6.023 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.902 -2.873 -4.193 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -22.637 -3.164 -4.028 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.244 -6.389 -2.660 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -23.394 -5.145 -3.163 1.00 0.00 H new ATOM 423 N PHE A 33 -13.508 -3.374 -2.084 1.00 0.00 N ATOM 424 CA PHE A 33 -12.433 -2.389 -2.030 1.00 0.00 C ATOM 425 C PHE A 33 -11.656 -2.503 -0.722 1.00 0.00 C ATOM 426 O PHE A 33 -11.960 -3.347 0.121 1.00 0.00 O ATOM 427 CB PHE A 33 -13.001 -0.976 -2.179 1.00 0.00 C ATOM 428 CG PHE A 33 -13.461 -0.375 -0.882 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.576 0.316 -0.071 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.779 -0.503 -0.473 1.00 0.00 C ATOM 431 CE1 PHE A 33 -12.997 0.871 1.124 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.205 0.049 0.720 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.313 0.736 1.520 1.00 0.00 C ATOM 0 H PHE A 33 -13.771 -3.761 -1.178 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.749 -2.587 -2.856 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.240 -0.332 -2.619 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.839 -1.001 -2.876 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.545 0.423 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.481 -1.040 -1.094 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.297 1.409 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.235 -0.057 1.027 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.644 1.167 2.453 1.00 0.00 H new ATOM 443 N ILE A 34 -10.653 -1.647 -0.561 1.00 0.00 N ATOM 444 CA ILE A 34 -9.833 -1.650 0.644 1.00 0.00 C ATOM 445 C ILE A 34 -9.287 -0.258 0.941 1.00 0.00 C ATOM 446 O ILE A 34 -8.677 0.379 0.082 1.00 0.00 O ATOM 447 CB ILE A 34 -8.655 -2.635 0.521 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.168 -4.039 0.191 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.842 -2.652 1.807 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.068 -5.020 -0.147 1.00 0.00 C ATOM 0 H ILE A 34 -10.389 -0.943 -1.250 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.478 -1.967 1.463 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.008 -2.304 -0.291 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.734 -4.419 1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.859 -3.976 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.013 -3.353 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.451 -1.654 2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.479 -2.962 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.505 -5.994 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.516 -4.662 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.389 -5.112 0.701 1.00 0.00 H new ATOM 462 N LYS A 35 -9.509 0.210 2.165 1.00 0.00 N ATOM 463 CA LYS A 35 -9.037 1.526 2.579 1.00 0.00 C ATOM 464 C LYS A 35 -7.581 1.465 3.029 1.00 0.00 C ATOM 465 O LYS A 35 -7.220 0.664 3.892 1.00 0.00 O ATOM 466 CB LYS A 35 -9.910 2.070 3.712 1.00 0.00 C ATOM 467 CG LYS A 35 -9.640 3.529 4.040 1.00 0.00 C ATOM 468 CD LYS A 35 -10.433 4.459 3.137 1.00 0.00 C ATOM 469 CE LYS A 35 -9.745 5.807 2.985 1.00 0.00 C ATOM 470 NZ LYS A 35 -8.776 5.811 1.854 1.00 0.00 N ATOM 0 H LYS A 35 -10.013 -0.303 2.888 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.106 2.196 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.959 1.956 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.747 1.469 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.899 3.723 5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.575 3.736 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.556 3.999 2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.432 4.603 3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.495 6.581 2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.225 6.055 3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.874 6.219 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.619 4.836 1.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.157 6.381 1.072 1.00 0.00 H new ATOM 484 N LEU A 36 -6.749 2.317 2.441 1.00 0.00 N ATOM 485 CA LEU A 36 -5.331 2.362 2.783 1.00 0.00 C ATOM 486 C LEU A 36 -4.986 3.659 3.507 1.00 0.00 C ATOM 487 O LEU A 36 -5.627 4.690 3.298 1.00 0.00 O ATOM 488 CB LEU A 36 -4.477 2.226 1.522 1.00 0.00 C ATOM 489 CG LEU A 36 -4.096 0.800 1.120 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.463 0.066 2.291 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.316 0.045 0.611 1.00 0.00 C ATOM 0 H LEU A 36 -7.031 2.986 1.725 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.117 1.527 3.451 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.014 2.685 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.561 2.799 1.664 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.364 0.854 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.199 -0.946 1.986 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.565 0.595 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.171 0.022 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.026 -0.967 0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.071 0.001 1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.726 0.560 -0.258 1.00 0.00 H new ATOM 503 N THR A 37 -3.967 3.603 4.359 1.00 0.00 N ATOM 504 CA THR A 37 -3.535 4.773 5.113 1.00 0.00 C ATOM 505 C THR A 37 -2.064 4.667 5.497 1.00 0.00 C ATOM 506 O THR A 37 -1.614 3.632 5.989 1.00 0.00 O ATOM 507 CB THR A 37 -4.375 4.960 6.390 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.513 3.708 7.073 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.752 5.515 6.056 1.00 0.00 C ATOM 0 H THR A 37 -3.425 2.759 4.544 1.00 0.00 H new ATOM 0 HA THR A 37 -3.677 5.637 4.464 1.00 0.00 H new ATOM 0 HB THR A 37 -3.861 5.672 7.036 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.047 3.835 7.885 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.327 5.638 6.974 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.645 6.481 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.272 4.824 5.393 1.00 0.00 H new ATOM 517 N TRP A 38 -1.320 5.744 5.271 1.00 0.00 N ATOM 518 CA TRP A 38 0.102 5.772 5.595 1.00 0.00 C ATOM 519 C TRP A 38 0.527 7.159 6.062 1.00 0.00 C ATOM 520 O TRP A 38 -0.239 8.118 5.965 1.00 0.00 O ATOM 521 CB TRP A 38 0.931 5.354 4.379 1.00 0.00 C ATOM 522 CG TRP A 38 0.687 6.207 3.172 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.299 7.390 2.867 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.236 5.945 2.109 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.811 7.878 1.679 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.130 7.010 1.193 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.139 4.913 1.841 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.895 7.071 0.032 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.898 4.975 0.688 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.772 6.047 -0.206 1.00 0.00 C ATOM 0 H TRP A 38 -1.677 6.609 4.865 1.00 0.00 H new ATOM 0 HA TRP A 38 0.278 5.066 6.407 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.989 5.397 4.637 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.705 4.316 4.133 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.055 7.870 3.471 1.00 0.00 H new ATOM 0 HE1 TRP A 38 1.103 8.747 1.231 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.242 4.082 2.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.800 7.897 -0.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.601 4.184 0.472 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.378 6.066 -1.100 1.00 0.00 H new ATOM 541 N ARG A 39 1.751 7.259 6.570 1.00 0.00 N ATOM 542 CA ARG A 39 2.277 8.530 7.053 1.00 0.00 C ATOM 543 C ARG A 39 3.233 9.145 6.036 1.00 0.00 C ATOM 544 O ARG A 39 3.506 8.558 4.989 1.00 0.00 O ATOM 545 CB ARG A 39 2.994 8.335 8.390 1.00 0.00 C ATOM 546 CG ARG A 39 4.279 7.530 8.280 1.00 0.00 C ATOM 547 CD ARG A 39 5.040 7.514 9.596 1.00 0.00 C ATOM 548 NE ARG A 39 5.784 8.752 9.814 1.00 0.00 N ATOM 549 CZ ARG A 39 6.593 8.951 10.848 1.00 0.00 C ATOM 550 NH1 ARG A 39 6.764 7.998 11.754 1.00 0.00 N ATOM 551 NH2 ARG A 39 7.235 10.105 10.977 1.00 0.00 N ATOM 0 H ARG A 39 2.397 6.475 6.658 1.00 0.00 H new ATOM 0 HA ARG A 39 1.438 9.211 7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.223 9.312 8.816 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.320 7.834 9.085 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.045 6.508 7.981 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.910 7.954 7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.340 7.363 10.418 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.730 6.670 9.605 1.00 0.00 H new ATOM 0 HE ARG A 39 5.676 9.505 9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.273 7.109 11.658 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.386 8.154 12.547 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.107 10.840 10.282 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.856 10.257 11.772 1.00 0.00 H new ATOM 565 N THR A 40 3.740 10.334 6.351 1.00 0.00 N ATOM 566 CA THR A 40 4.664 11.030 5.464 1.00 0.00 C ATOM 567 C THR A 40 6.024 10.342 5.438 1.00 0.00 C ATOM 568 O THR A 40 6.499 9.814 6.444 1.00 0.00 O ATOM 569 CB THR A 40 4.852 12.498 5.890 1.00 0.00 C ATOM 570 OG1 THR A 40 4.835 12.600 7.318 1.00 0.00 O ATOM 571 CG2 THR A 40 3.759 13.377 5.300 1.00 0.00 C ATOM 0 H THR A 40 3.526 10.834 7.214 1.00 0.00 H new ATOM 0 HA THR A 40 4.227 11.002 4.466 1.00 0.00 H new ATOM 0 HB THR A 40 5.815 12.842 5.514 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.005 13.528 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.913 14.409 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.794 13.320 4.212 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.786 13.032 5.650 1.00 0.00 H new ATOM 579 N PRO A 41 6.668 10.347 4.262 1.00 0.00 N ATOM 580 CA PRO A 41 7.984 9.728 4.077 1.00 0.00 C ATOM 581 C PRO A 41 9.090 10.492 4.798 1.00 0.00 C ATOM 582 O PRO A 41 9.040 11.716 4.910 1.00 0.00 O ATOM 583 CB PRO A 41 8.194 9.786 2.562 1.00 0.00 C ATOM 584 CG PRO A 41 7.355 10.930 2.107 1.00 0.00 C ATOM 585 CD PRO A 41 6.162 10.958 3.022 1.00 0.00 C ATOM 0 HA PRO A 41 8.021 8.719 4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.244 9.942 2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.888 8.856 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.910 11.867 2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.048 10.800 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.809 11.975 3.191 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.325 10.394 2.609 1.00 0.00 H new ATOM 593 N ALA A 42 10.088 9.761 5.283 1.00 0.00 N ATOM 594 CA ALA A 42 11.208 10.371 5.990 1.00 0.00 C ATOM 595 C ALA A 42 11.799 11.526 5.189 1.00 0.00 C ATOM 596 O ALA A 42 12.232 12.529 5.756 1.00 0.00 O ATOM 597 CB ALA A 42 12.276 9.328 6.285 1.00 0.00 C ATOM 0 H ALA A 42 10.144 8.746 5.199 1.00 0.00 H new ATOM 0 HA ALA A 42 10.837 10.771 6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.106 9.797 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.852 8.538 6.905 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.636 8.901 5.349 1.00 0.00 H new ATOM 603 N SER A 43 11.816 11.377 3.869 1.00 0.00 N ATOM 604 CA SER A 43 12.359 12.406 2.990 1.00 0.00 C ATOM 605 C SER A 43 11.491 13.661 3.022 1.00 0.00 C ATOM 606 O SER A 43 12.000 14.780 3.086 1.00 0.00 O ATOM 607 CB SER A 43 12.464 11.881 1.557 1.00 0.00 C ATOM 608 OG SER A 43 12.673 12.940 0.639 1.00 0.00 O ATOM 0 H SER A 43 11.460 10.553 3.384 1.00 0.00 H new ATOM 0 HA SER A 43 13.356 12.665 3.348 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.285 11.168 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.552 11.344 1.296 1.00 0.00 H new ATOM 0 HG SER A 43 12.147 12.779 -0.172 1.00 0.00 H new ATOM 614 N ASP A 44 10.178 13.465 2.976 1.00 0.00 N ATOM 615 CA ASP A 44 9.238 14.579 3.001 1.00 0.00 C ATOM 616 C ASP A 44 8.280 14.456 4.182 1.00 0.00 C ATOM 617 O ASP A 44 7.352 13.647 4.178 1.00 0.00 O ATOM 618 CB ASP A 44 8.448 14.637 1.692 1.00 0.00 C ATOM 619 CG ASP A 44 9.190 15.385 0.601 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.198 14.849 0.094 1.00 0.00 O ATOM 621 OD2 ASP A 44 8.761 16.505 0.253 1.00 0.00 O ATOM 0 H ASP A 44 9.741 12.545 2.921 1.00 0.00 H new ATOM 0 HA ASP A 44 9.809 15.501 3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.236 13.623 1.354 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.488 15.120 1.872 1.00 0.00 H new ATOM 626 N PRO A 45 8.509 15.277 5.217 1.00 0.00 N ATOM 627 CA PRO A 45 7.677 15.279 6.425 1.00 0.00 C ATOM 628 C PRO A 45 6.281 15.835 6.166 1.00 0.00 C ATOM 629 O PRO A 45 5.353 15.593 6.939 1.00 0.00 O ATOM 630 CB PRO A 45 8.447 16.191 7.384 1.00 0.00 C ATOM 631 CG PRO A 45 9.241 17.088 6.499 1.00 0.00 C ATOM 632 CD PRO A 45 9.596 16.267 5.290 1.00 0.00 C ATOM 0 HA PRO A 45 7.515 14.272 6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.768 16.761 8.019 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.093 15.614 8.045 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.664 17.969 6.217 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.138 17.443 7.007 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.643 16.879 4.389 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.569 15.788 5.401 1.00 0.00 H new ATOM 640 N HIS A 46 6.139 16.581 5.075 1.00 0.00 N ATOM 641 CA HIS A 46 4.854 17.170 4.714 1.00 0.00 C ATOM 642 C HIS A 46 4.246 16.454 3.512 1.00 0.00 C ATOM 643 O HIS A 46 3.029 16.443 3.334 1.00 0.00 O ATOM 644 CB HIS A 46 5.021 18.659 4.406 1.00 0.00 C ATOM 645 CG HIS A 46 4.909 19.537 5.614 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.476 20.845 5.556 1.00 0.00 N ATOM 647 CD2 HIS A 46 5.174 19.288 6.917 1.00 0.00 C ATOM 648 CE1 HIS A 46 4.482 21.363 6.771 1.00 0.00 C ATOM 649 NE2 HIS A 46 4.901 20.438 7.616 1.00 0.00 N ATOM 0 H HIS A 46 6.897 16.792 4.426 1.00 0.00 H new ATOM 0 HA HIS A 46 4.178 17.055 5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.993 18.818 3.940 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.266 18.958 3.679 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.534 18.357 7.331 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.193 22.371 7.030 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.005 20.558 8.624 1.00 0.00 H new ATOM 658 N GLY A 47 5.103 15.859 2.688 1.00 0.00 N ATOM 659 CA GLY A 47 4.632 15.150 1.513 1.00 0.00 C ATOM 660 C GLY A 47 3.396 15.787 0.909 1.00 0.00 C ATOM 661 O GLY A 47 2.519 15.092 0.396 1.00 0.00 O ATOM 0 H GLY A 47 6.115 15.855 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.425 15.123 0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.411 14.117 1.780 1.00 0.00 H new ATOM 665 N ASP A 48 3.326 17.112 0.970 1.00 0.00 N ATOM 666 CA ASP A 48 2.188 17.843 0.425 1.00 0.00 C ATOM 667 C ASP A 48 2.481 18.327 -0.992 1.00 0.00 C ATOM 668 O ASP A 48 1.590 18.806 -1.692 1.00 0.00 O ATOM 669 CB ASP A 48 1.842 19.033 1.322 1.00 0.00 C ATOM 670 CG ASP A 48 0.378 19.417 1.234 1.00 0.00 C ATOM 671 OD1 ASP A 48 -0.440 18.810 1.957 1.00 0.00 O ATOM 672 OD2 ASP A 48 0.050 20.325 0.442 1.00 0.00 O ATOM 0 H ASP A 48 4.044 17.702 1.391 1.00 0.00 H new ATOM 0 HA ASP A 48 1.336 17.165 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.089 18.790 2.355 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.457 19.888 1.040 1.00 0.00 H new ATOM 677 N ASN A 49 3.738 18.199 -1.407 1.00 0.00 N ATOM 678 CA ASN A 49 4.149 18.625 -2.740 1.00 0.00 C ATOM 679 C ASN A 49 4.447 17.421 -3.628 1.00 0.00 C ATOM 680 O ASN A 49 5.092 17.548 -4.670 1.00 0.00 O ATOM 681 CB ASN A 49 5.383 19.526 -2.652 1.00 0.00 C ATOM 682 CG ASN A 49 5.446 20.294 -1.346 1.00 0.00 C ATOM 683 OD1 ASN A 49 4.973 21.427 -1.256 1.00 0.00 O ATOM 684 ND2 ASN A 49 6.033 19.680 -0.326 1.00 0.00 N ATOM 0 H ASN A 49 4.488 17.804 -0.840 1.00 0.00 H new ATOM 0 HA ASN A 49 3.328 19.187 -3.184 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.282 18.918 -2.757 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.376 20.230 -3.484 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.106 20.148 0.577 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.411 18.740 -0.446 1.00 0.00 H new ATOM 691 N LEU A 50 3.972 16.253 -3.210 1.00 0.00 N ATOM 692 CA LEU A 50 4.186 15.025 -3.967 1.00 0.00 C ATOM 693 C LEU A 50 2.978 14.101 -3.859 1.00 0.00 C ATOM 694 O LEU A 50 2.405 13.932 -2.782 1.00 0.00 O ATOM 695 CB LEU A 50 5.440 14.305 -3.466 1.00 0.00 C ATOM 696 CG LEU A 50 5.672 14.336 -1.955 1.00 0.00 C ATOM 697 CD1 LEU A 50 4.945 13.184 -1.279 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.161 14.286 -1.644 1.00 0.00 C ATOM 0 H LEU A 50 3.436 16.131 -2.351 1.00 0.00 H new ATOM 0 HA LEU A 50 4.323 15.293 -5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.389 13.264 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.308 14.746 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 50 5.270 15.271 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.122 13.223 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.876 13.264 -1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.316 12.238 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.308 14.309 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.587 13.368 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.656 15.145 -2.096 1.00 0.00 H new ATOM 710 N THR A 51 2.595 13.502 -4.983 1.00 0.00 N ATOM 711 CA THR A 51 1.455 12.594 -5.015 1.00 0.00 C ATOM 712 C THR A 51 1.832 11.220 -4.471 1.00 0.00 C ATOM 713 O THR A 51 2.984 10.978 -4.114 1.00 0.00 O ATOM 714 CB THR A 51 0.904 12.434 -6.444 1.00 0.00 C ATOM 715 OG1 THR A 51 1.088 13.650 -7.179 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.574 12.072 -6.417 1.00 0.00 C ATOM 0 H THR A 51 3.058 13.630 -5.883 1.00 0.00 H new ATOM 0 HA THR A 51 0.683 13.033 -4.383 1.00 0.00 H new ATOM 0 HB THR A 51 1.451 11.628 -6.932 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.737 13.540 -8.087 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.941 11.964 -7.438 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.709 11.132 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.132 12.860 -5.912 1.00 0.00 H new ATOM 724 N TYR A 52 0.853 10.324 -4.413 1.00 0.00 N ATOM 725 CA TYR A 52 1.082 8.974 -3.912 1.00 0.00 C ATOM 726 C TYR A 52 0.377 7.941 -4.786 1.00 0.00 C ATOM 727 O TYR A 52 -0.833 8.015 -5.001 1.00 0.00 O ATOM 728 CB TYR A 52 0.593 8.854 -2.467 1.00 0.00 C ATOM 729 CG TYR A 52 1.444 9.613 -1.475 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.716 9.168 -1.137 1.00 0.00 C ATOM 731 CD2 TYR A 52 0.977 10.776 -0.874 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.498 9.857 -0.231 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.752 11.473 0.032 1.00 0.00 C ATOM 734 CZ TYR A 52 3.011 11.010 0.351 1.00 0.00 C ATOM 735 OH TYR A 52 3.786 11.700 1.255 1.00 0.00 O ATOM 0 H TYR A 52 -0.106 10.508 -4.707 1.00 0.00 H new ATOM 0 HA TYR A 52 2.154 8.779 -3.944 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.432 9.219 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.573 7.801 -2.185 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.100 8.267 -1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.009 11.141 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.484 9.496 0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.374 12.376 0.488 1.00 0.00 H new ATOM 0 HH TYR A 52 3.207 12.155 1.902 1.00 0.00 H new ATOM 745 N SER A 53 1.143 6.978 -5.288 1.00 0.00 N ATOM 746 CA SER A 53 0.595 5.931 -6.142 1.00 0.00 C ATOM 747 C SER A 53 0.428 4.629 -5.365 1.00 0.00 C ATOM 748 O SER A 53 1.204 4.330 -4.457 1.00 0.00 O ATOM 749 CB SER A 53 1.502 5.704 -7.352 1.00 0.00 C ATOM 750 OG SER A 53 1.142 6.556 -8.426 1.00 0.00 O ATOM 0 H SER A 53 2.146 6.901 -5.118 1.00 0.00 H new ATOM 0 HA SER A 53 -0.386 6.255 -6.489 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.540 5.885 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.435 4.664 -7.671 1.00 0.00 H new ATOM 0 HG SER A 53 0.366 7.097 -8.169 1.00 0.00 H new ATOM 756 N VAL A 54 -0.591 3.856 -5.729 1.00 0.00 N ATOM 757 CA VAL A 54 -0.860 2.585 -5.069 1.00 0.00 C ATOM 758 C VAL A 54 -1.017 1.460 -6.085 1.00 0.00 C ATOM 759 O VAL A 54 -1.956 1.455 -6.882 1.00 0.00 O ATOM 760 CB VAL A 54 -2.132 2.661 -4.203 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.421 1.313 -3.560 1.00 0.00 C ATOM 762 CG2 VAL A 54 -1.992 3.746 -3.146 1.00 0.00 C ATOM 0 H VAL A 54 -1.243 4.089 -6.478 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.004 2.374 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.974 2.918 -4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.323 1.386 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.567 0.563 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.581 1.023 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.899 3.786 -2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.140 3.521 -2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.836 4.709 -3.632 1.00 0.00 H new ATOM 772 N PHE A 55 -0.092 0.506 -6.052 1.00 0.00 N ATOM 773 CA PHE A 55 -0.127 -0.625 -6.972 1.00 0.00 C ATOM 774 C PHE A 55 -0.695 -1.865 -6.287 1.00 0.00 C ATOM 775 O PHE A 55 -0.132 -2.360 -5.310 1.00 0.00 O ATOM 776 CB PHE A 55 1.276 -0.920 -7.504 1.00 0.00 C ATOM 777 CG PHE A 55 1.988 0.296 -8.026 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.490 1.248 -7.154 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.153 0.487 -9.388 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.146 2.367 -7.631 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.807 1.604 -9.871 1.00 0.00 C ATOM 782 CZ PHE A 55 3.303 2.546 -8.991 1.00 0.00 C ATOM 0 H PHE A 55 0.691 0.494 -5.398 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.777 -0.363 -7.807 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.872 -1.366 -6.707 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.205 -1.660 -8.301 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.367 1.114 -6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.766 -0.246 -10.080 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.535 3.101 -6.941 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.930 1.740 -10.935 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.813 3.421 -9.366 1.00 0.00 H new ATOM 792 N TYR A 56 -1.812 -2.361 -6.805 1.00 0.00 N ATOM 793 CA TYR A 56 -2.458 -3.541 -6.243 1.00 0.00 C ATOM 794 C TYR A 56 -2.543 -4.660 -7.276 1.00 0.00 C ATOM 795 O TYR A 56 -2.683 -4.408 -8.473 1.00 0.00 O ATOM 796 CB TYR A 56 -3.859 -3.189 -5.740 1.00 0.00 C ATOM 797 CG TYR A 56 -4.695 -2.438 -6.751 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.452 -1.097 -7.023 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.729 -3.068 -7.433 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.213 -0.406 -7.946 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.495 -2.385 -8.358 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.233 -1.054 -8.610 1.00 0.00 C ATOM 803 OH TYR A 56 -6.995 -0.370 -9.530 1.00 0.00 O ATOM 0 H TYR A 56 -2.290 -1.964 -7.614 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.855 -3.890 -5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.377 -4.107 -5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.770 -2.587 -4.836 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.654 -0.586 -6.504 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.937 -4.109 -7.237 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.010 0.636 -8.146 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.294 -2.890 -8.881 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.670 -0.972 -9.908 1.00 0.00 H new ATOM 813 N THR A 57 -2.456 -5.900 -6.804 1.00 0.00 N ATOM 814 CA THR A 57 -2.522 -7.059 -7.685 1.00 0.00 C ATOM 815 C THR A 57 -2.700 -8.346 -6.887 1.00 0.00 C ATOM 816 O THR A 57 -2.404 -8.395 -5.693 1.00 0.00 O ATOM 817 CB THR A 57 -1.255 -7.178 -8.553 1.00 0.00 C ATOM 818 OG1 THR A 57 -1.256 -8.427 -9.252 1.00 0.00 O ATOM 819 CG2 THR A 57 -0.001 -7.070 -7.698 1.00 0.00 C ATOM 0 H THR A 57 -2.340 -6.127 -5.816 1.00 0.00 H new ATOM 0 HA THR A 57 -3.386 -6.914 -8.334 1.00 0.00 H new ATOM 0 HB THR A 57 -1.256 -6.359 -9.273 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.448 -8.494 -9.803 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.881 -7.157 -8.333 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.011 -6.106 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.005 -7.870 -6.958 1.00 0.00 H new ATOM 827 N LYS A 58 -3.184 -9.388 -7.554 1.00 0.00 N ATOM 828 CA LYS A 58 -3.399 -10.678 -6.908 1.00 0.00 C ATOM 829 C LYS A 58 -2.072 -11.374 -6.626 1.00 0.00 C ATOM 830 O LYS A 58 -1.138 -11.294 -7.423 1.00 0.00 O ATOM 831 CB LYS A 58 -4.279 -11.570 -7.787 1.00 0.00 C ATOM 832 CG LYS A 58 -5.758 -11.485 -7.453 1.00 0.00 C ATOM 833 CD LYS A 58 -6.622 -11.760 -8.672 1.00 0.00 C ATOM 834 CE LYS A 58 -6.759 -13.252 -8.933 1.00 0.00 C ATOM 835 NZ LYS A 58 -7.650 -13.910 -7.938 1.00 0.00 N ATOM 0 H LYS A 58 -3.435 -9.365 -8.542 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.904 -10.501 -5.958 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.135 -11.292 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.951 -12.604 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.996 -12.202 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.987 -10.494 -7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.610 -11.323 -8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.186 -11.275 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.155 -13.410 -9.936 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.774 -13.718 -8.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.908 -14.859 -8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.154 -13.991 -7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.511 -13.341 -7.813 1.00 0.00 H new ATOM 924 N GLU A 64 -0.717 -5.737 -12.273 1.00 0.00 N ATOM 925 CA GLU A 64 -1.027 -4.754 -11.242 1.00 0.00 C ATOM 926 C GLU A 64 -1.361 -3.401 -11.863 1.00 0.00 C ATOM 927 O GLU A 64 -0.883 -3.069 -12.948 1.00 0.00 O ATOM 928 CB GLU A 64 0.149 -4.607 -10.275 1.00 0.00 C ATOM 929 CG GLU A 64 1.329 -3.850 -10.862 1.00 0.00 C ATOM 930 CD GLU A 64 2.042 -4.632 -11.948 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.262 -5.846 -11.758 1.00 0.00 O ATOM 932 OE2 GLU A 64 2.381 -4.028 -12.988 1.00 0.00 O ATOM 0 HA GLU A 64 -1.899 -5.107 -10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.192 -4.092 -9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.481 -5.598 -9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.980 -2.902 -11.272 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.036 -3.613 -10.067 1.00 0.00 H new ATOM 939 N ARG A 65 -2.186 -2.625 -11.168 1.00 0.00 N ATOM 940 CA ARG A 65 -2.586 -1.309 -11.651 1.00 0.00 C ATOM 941 C ARG A 65 -2.304 -0.236 -10.604 1.00 0.00 C ATOM 942 O ARG A 65 -2.373 -0.493 -9.402 1.00 0.00 O ATOM 943 CB ARG A 65 -4.073 -1.305 -12.013 1.00 0.00 C ATOM 944 CG ARG A 65 -4.425 -2.248 -13.152 1.00 0.00 C ATOM 945 CD ARG A 65 -5.700 -1.815 -13.859 1.00 0.00 C ATOM 946 NE ARG A 65 -6.117 -2.778 -14.874 1.00 0.00 N ATOM 947 CZ ARG A 65 -6.969 -2.493 -15.852 1.00 0.00 C ATOM 948 NH1 ARG A 65 -7.492 -1.278 -15.947 1.00 0.00 N ATOM 949 NH2 ARG A 65 -7.299 -3.423 -16.739 1.00 0.00 N ATOM 0 H ARG A 65 -2.591 -2.885 -10.268 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.001 -1.084 -12.543 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.653 -1.580 -11.132 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.369 -0.292 -12.286 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.603 -2.279 -13.868 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.548 -3.259 -12.764 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.497 -1.693 -13.126 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.544 -0.842 -14.325 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.733 -3.722 -14.830 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.240 -0.560 -15.268 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.146 -1.062 -16.699 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -6.898 -4.358 -16.670 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -7.954 -3.203 -17.490 1.00 0.00 H new ATOM 963 N VAL A 66 -1.985 0.968 -11.068 1.00 0.00 N ATOM 964 CA VAL A 66 -1.692 2.080 -10.172 1.00 0.00 C ATOM 965 C VAL A 66 -2.900 3.000 -10.025 1.00 0.00 C ATOM 966 O VAL A 66 -3.647 3.216 -10.979 1.00 0.00 O ATOM 967 CB VAL A 66 -0.492 2.904 -10.674 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.926 3.873 -11.763 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.164 3.647 -9.519 1.00 0.00 C ATOM 0 H VAL A 66 -1.923 1.198 -12.060 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.447 1.649 -9.202 1.00 0.00 H new ATOM 0 HB VAL A 66 0.242 2.221 -11.101 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.064 4.446 -12.105 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.346 3.315 -12.600 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.679 4.553 -11.366 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.010 4.224 -9.892 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.561 4.320 -9.061 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.513 2.930 -8.776 1.00 0.00 H new ATOM 979 N GLU A 67 -3.084 3.538 -8.824 1.00 0.00 N ATOM 980 CA GLU A 67 -4.201 4.435 -8.552 1.00 0.00 C ATOM 981 C GLU A 67 -3.718 5.722 -7.890 1.00 0.00 C ATOM 982 O GLU A 67 -3.390 5.737 -6.705 1.00 0.00 O ATOM 983 CB GLU A 67 -5.232 3.744 -7.657 1.00 0.00 C ATOM 984 CG GLU A 67 -6.649 4.256 -7.854 1.00 0.00 C ATOM 985 CD GLU A 67 -6.884 5.596 -7.185 1.00 0.00 C ATOM 986 OE1 GLU A 67 -6.124 5.934 -6.253 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.825 6.307 -7.594 1.00 0.00 O ATOM 0 H GLU A 67 -2.474 3.369 -8.024 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.668 4.690 -9.503 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.211 2.672 -7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.946 3.882 -6.614 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.854 4.346 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.354 3.526 -7.455 1.00 0.00 H new ATOM 994 N ASN A 68 -3.677 6.800 -8.666 1.00 0.00 N ATOM 995 CA ASN A 68 -3.232 8.092 -8.156 1.00 0.00 C ATOM 996 C ASN A 68 -4.279 8.700 -7.228 1.00 0.00 C ATOM 997 O ASN A 68 -5.448 8.831 -7.593 1.00 0.00 O ATOM 998 CB ASN A 68 -2.945 9.049 -9.315 1.00 0.00 C ATOM 999 CG ASN A 68 -1.790 8.581 -10.179 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -0.652 8.489 -9.717 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -2.078 8.283 -11.440 1.00 0.00 N ATOM 0 H ASN A 68 -3.946 6.805 -9.650 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.316 7.934 -7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.839 9.148 -9.931 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.720 10.039 -8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.342 7.963 -12.069 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.035 8.374 -11.780 1.00 0.00 H new ATOM 1008 N THR A 69 -3.852 9.070 -6.025 1.00 0.00 N ATOM 1009 CA THR A 69 -4.752 9.663 -5.043 1.00 0.00 C ATOM 1010 C THR A 69 -5.464 10.883 -5.617 1.00 0.00 C ATOM 1011 O THR A 69 -4.828 11.791 -6.151 1.00 0.00 O ATOM 1012 CB THR A 69 -3.996 10.078 -3.767 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.995 11.052 -4.084 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.345 8.871 -3.107 1.00 0.00 C ATOM 0 H THR A 69 -2.888 8.970 -5.707 1.00 0.00 H new ATOM 0 HA THR A 69 -5.489 8.901 -4.789 1.00 0.00 H new ATOM 0 HB THR A 69 -4.715 10.510 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.420 11.923 -4.229 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.817 9.189 -2.208 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.112 8.145 -2.840 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.639 8.414 -3.800 1.00 0.00 H new ATOM 1022 N SER A 70 -6.788 10.897 -5.502 1.00 0.00 N ATOM 1023 CA SER A 70 -7.588 12.004 -6.013 1.00 0.00 C ATOM 1024 C SER A 70 -6.861 13.332 -5.823 1.00 0.00 C ATOM 1025 O SER A 70 -6.989 14.245 -6.639 1.00 0.00 O ATOM 1026 CB SER A 70 -8.946 12.047 -5.309 1.00 0.00 C ATOM 1027 OG SER A 70 -9.885 12.799 -6.058 1.00 0.00 O ATOM 0 H SER A 70 -7.329 10.154 -5.060 1.00 0.00 H new ATOM 0 HA SER A 70 -7.745 11.845 -7.080 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.318 11.032 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.832 12.486 -4.318 1.00 0.00 H new ATOM 0 HG SER A 70 -10.745 12.810 -5.588 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.098 13.432 -4.739 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.349 14.647 -4.440 1.00 0.00 C ATOM 1035 C HIS A 71 -3.932 14.314 -3.983 1.00 0.00 C ATOM 1036 O HIS A 71 -3.692 13.320 -3.298 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.067 15.462 -3.363 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.525 15.663 -3.637 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.018 16.743 -4.339 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.601 14.913 -3.300 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.333 16.650 -4.420 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.712 15.548 -3.798 1.00 0.00 N ATOM 0 H HIS A 71 -5.982 12.686 -4.053 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.287 15.240 -5.353 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.952 14.960 -2.402 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.585 16.435 -3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.588 13.988 -2.743 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.987 17.355 -4.911 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.674 15.222 -3.703 1.00 0.00 H new ATOM 1051 N PRO A 72 -2.969 15.164 -4.372 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.560 14.980 -4.013 1.00 0.00 C ATOM 1053 C PRO A 72 -1.304 15.214 -2.528 1.00 0.00 C ATOM 1054 O PRO A 72 -1.712 16.233 -1.971 1.00 0.00 O ATOM 1055 CB PRO A 72 -0.840 16.037 -4.853 1.00 0.00 C ATOM 1056 CG PRO A 72 -1.866 17.089 -5.100 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.183 16.369 -5.190 1.00 0.00 C ATOM 0 HA PRO A 72 -1.221 13.961 -4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.023 16.442 -4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.472 15.616 -5.788 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -1.876 17.822 -4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.654 17.632 -6.021 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.001 16.977 -4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.433 16.116 -6.220 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.625 14.264 -1.892 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.326 14.387 -0.477 1.00 0.00 C ATOM 1067 C GLY A 73 -1.236 13.533 0.383 1.00 0.00 C ATOM 1068 O GLY A 73 -0.857 13.123 1.480 1.00 0.00 O ATOM 0 H GLY A 73 -0.277 13.412 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.711 14.099 -0.301 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.422 15.431 -0.178 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.439 13.266 -0.114 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.406 12.457 0.620 1.00 0.00 C ATOM 1074 C GLU A 74 -2.717 11.292 1.324 1.00 0.00 C ATOM 1075 O GLU A 74 -2.048 10.476 0.689 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.485 11.928 -0.327 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.834 11.724 0.341 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.951 11.490 -0.658 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -6.695 11.620 -1.873 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -8.079 11.177 -0.225 1.00 0.00 O ATOM 0 H GLU A 74 -2.768 13.597 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.873 13.090 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.602 12.625 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.152 10.981 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -5.774 10.873 1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.071 12.598 0.947 1.00 0.00 H new ATOM 1087 N MET A 75 -2.885 11.221 2.641 1.00 0.00 N ATOM 1088 CA MET A 75 -2.279 10.156 3.432 1.00 0.00 C ATOM 1089 C MET A 75 -3.199 8.941 3.502 1.00 0.00 C ATOM 1090 O MET A 75 -3.088 8.119 4.411 1.00 0.00 O ATOM 1091 CB MET A 75 -1.966 10.655 4.844 1.00 0.00 C ATOM 1092 CG MET A 75 -0.895 11.732 4.884 1.00 0.00 C ATOM 1093 SD MET A 75 0.765 11.054 5.071 1.00 0.00 S ATOM 1094 CE MET A 75 1.258 10.886 3.357 1.00 0.00 C ATOM 0 H MET A 75 -3.435 11.888 3.182 1.00 0.00 H new ATOM 0 HA MET A 75 -1.350 9.859 2.945 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.879 11.045 5.293 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.645 9.812 5.456 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.942 12.320 3.967 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.100 12.413 5.710 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.292 10.544 3.308 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.612 10.161 2.862 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.170 11.851 2.857 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.107 8.835 2.536 1.00 0.00 N ATOM 1105 CA GLN A 76 -5.046 7.721 2.490 1.00 0.00 C ATOM 1106 C GLN A 76 -5.763 7.668 1.145 1.00 0.00 C ATOM 1107 O GLN A 76 -6.102 8.702 0.570 1.00 0.00 O ATOM 1108 CB GLN A 76 -6.069 7.841 3.622 1.00 0.00 C ATOM 1109 CG GLN A 76 -7.188 8.826 3.328 1.00 0.00 C ATOM 1110 CD GLN A 76 -8.179 8.942 4.470 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -8.776 7.951 4.891 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -8.358 10.156 4.977 1.00 0.00 N ATOM 0 H GLN A 76 -4.212 9.507 1.776 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.481 6.798 2.617 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.502 6.859 3.815 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.556 8.148 4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.759 9.807 3.123 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.714 8.514 2.426 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.841 10.949 4.596 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.012 10.296 5.747 1.00 0.00 H new ATOM 1121 N VAL A 77 -5.989 6.456 0.648 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.666 6.268 -0.629 1.00 0.00 C ATOM 1123 C VAL A 77 -7.571 5.042 -0.596 1.00 0.00 C ATOM 1124 O VAL A 77 -7.435 4.178 0.271 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.656 6.116 -1.782 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -4.999 4.745 -1.740 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.339 6.348 -3.122 1.00 0.00 C ATOM 0 H VAL A 77 -5.713 5.590 1.111 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.271 7.158 -0.801 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.877 6.869 -1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.289 4.657 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.474 4.622 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.762 3.973 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.611 6.237 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.139 5.619 -3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.757 7.354 -3.148 1.00 0.00 H new ATOM 1137 N THR A 78 -8.497 4.970 -1.548 1.00 0.00 N ATOM 1138 CA THR A 78 -9.426 3.850 -1.628 1.00 0.00 C ATOM 1139 C THR A 78 -9.247 3.079 -2.931 1.00 0.00 C ATOM 1140 O THR A 78 -9.158 3.672 -4.006 1.00 0.00 O ATOM 1141 CB THR A 78 -10.888 4.324 -1.523 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.083 5.044 -0.300 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.845 3.143 -1.580 1.00 0.00 C ATOM 0 H THR A 78 -8.623 5.675 -2.274 1.00 0.00 H new ATOM 0 HA THR A 78 -9.203 3.194 -0.787 1.00 0.00 H new ATOM 0 HB THR A 78 -11.096 4.981 -2.368 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.014 5.343 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.871 3.502 -1.504 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.715 2.614 -2.524 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.636 2.465 -0.753 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.195 1.756 -2.827 1.00 0.00 N ATOM 1152 CA ILE A 79 -9.028 0.904 -3.998 1.00 0.00 C ATOM 1153 C ILE A 79 -10.272 0.057 -4.244 1.00 0.00 C ATOM 1154 O ILE A 79 -10.416 -1.029 -3.683 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.809 -0.026 -3.848 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.590 0.768 -3.375 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.513 -0.726 -5.166 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.145 1.833 -4.353 1.00 0.00 C ATOM 0 H ILE A 79 -9.266 1.250 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.868 1.566 -4.849 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.038 -0.784 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.821 1.238 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.764 0.079 -3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.649 -1.380 -5.045 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.377 -1.319 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.300 0.018 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.277 2.355 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.882 1.368 -5.303 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.956 2.544 -4.510 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.167 0.562 -5.087 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.399 -0.150 -5.408 1.00 0.00 C ATOM 1172 C GLN A 80 -12.192 -1.092 -6.589 1.00 0.00 C ATOM 1173 O GLN A 80 -11.110 -1.143 -7.171 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.519 0.843 -5.723 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.693 1.921 -4.665 1.00 0.00 C ATOM 1176 CD GLN A 80 -14.750 2.941 -5.038 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -15.804 2.592 -5.572 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -14.475 4.209 -4.758 1.00 0.00 N ATOM 0 H GLN A 80 -11.063 1.460 -5.559 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.683 -0.744 -4.539 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.313 1.317 -6.683 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.457 0.298 -5.832 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -13.963 1.454 -3.718 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -12.741 2.430 -4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -13.589 4.453 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -15.150 4.939 -4.986 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.236 -1.837 -6.936 1.00 0.00 N ATOM 1188 CA ASN A 81 -13.168 -2.778 -8.047 1.00 0.00 C ATOM 1189 C ASN A 81 -12.303 -3.982 -7.688 1.00 0.00 C ATOM 1190 O ASN A 81 -11.454 -4.407 -8.472 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.609 -2.089 -9.294 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.241 -0.731 -9.536 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -14.419 -0.635 -9.880 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -12.457 0.326 -9.356 1.00 0.00 N ATOM 0 H ASN A 81 -14.139 -1.807 -6.463 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.179 -3.128 -8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.531 -1.971 -9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.777 -2.725 -10.163 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.826 1.266 -9.503 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.486 0.198 -9.070 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.525 -4.529 -6.497 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.766 -5.685 -6.033 1.00 0.00 C ATOM 1203 C LEU A 82 -12.688 -6.872 -5.772 1.00 0.00 C ATOM 1204 O LEU A 82 -13.906 -6.718 -5.690 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.994 -5.335 -4.760 1.00 0.00 C ATOM 1206 CG LEU A 82 -10.067 -4.122 -4.849 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.361 -3.891 -3.522 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -9.054 -4.306 -5.970 1.00 0.00 C ATOM 0 H LEU A 82 -13.224 -4.190 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.059 -5.962 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.713 -5.160 -3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.399 -6.201 -4.470 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.671 -3.243 -5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.706 -3.024 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.101 -3.713 -2.742 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.769 -4.770 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.403 -3.433 -6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.455 -5.196 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.578 -4.421 -6.919 1.00 0.00 H new ATOM 1220 N MET A 83 -12.098 -8.055 -5.640 1.00 0.00 N ATOM 1221 CA MET A 83 -12.867 -9.268 -5.385 1.00 0.00 C ATOM 1222 C MET A 83 -12.777 -9.669 -3.916 1.00 0.00 C ATOM 1223 O MET A 83 -11.715 -9.610 -3.295 1.00 0.00 O ATOM 1224 CB MET A 83 -12.365 -10.411 -6.269 1.00 0.00 C ATOM 1225 CG MET A 83 -12.775 -11.788 -5.773 1.00 0.00 C ATOM 1226 SD MET A 83 -11.931 -13.121 -6.647 1.00 0.00 S ATOM 1227 CE MET A 83 -12.598 -12.919 -8.297 1.00 0.00 C ATOM 0 H MET A 83 -11.090 -8.200 -5.705 1.00 0.00 H new ATOM 0 HA MET A 83 -13.911 -9.064 -5.625 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.745 -10.270 -7.281 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.278 -10.364 -6.327 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.560 -11.865 -4.707 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.852 -11.906 -5.891 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.313 -13.773 -8.912 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.685 -12.857 -8.245 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.203 -12.005 -8.740 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.916 -10.087 -3.345 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.992 -10.506 -1.942 1.00 0.00 C ATOM 1239 C PRO A 84 -13.268 -11.825 -1.692 1.00 0.00 C ATOM 1240 O PRO A 84 -13.133 -12.651 -2.593 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.495 -10.667 -1.700 1.00 0.00 C ATOM 1242 CG PRO A 84 -16.067 -10.948 -3.047 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.219 -10.183 -4.025 1.00 0.00 C ATOM 0 HA PRO A 84 -13.514 -9.788 -1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.699 -11.482 -1.005 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.925 -9.764 -1.268 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.046 -12.016 -3.265 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.109 -10.631 -3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.137 -10.704 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.636 -9.198 -4.234 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.804 -12.015 -0.461 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.096 -13.234 -0.091 1.00 0.00 C ATOM 1253 C ALA A 85 -10.924 -13.495 -1.032 1.00 0.00 C ATOM 1254 O ALA A 85 -10.674 -14.634 -1.429 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.050 -14.419 -0.093 1.00 0.00 C ATOM 0 H ALA A 85 -12.906 -11.340 0.297 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.698 -13.103 0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.508 -15.323 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.852 -14.242 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.475 -14.543 -1.089 1.00 0.00 H new ATOM 1261 N THR A 86 -10.207 -12.433 -1.386 1.00 0.00 N ATOM 1262 CA THR A 86 -9.063 -12.546 -2.281 1.00 0.00 C ATOM 1263 C THR A 86 -7.917 -11.652 -1.825 1.00 0.00 C ATOM 1264 O THR A 86 -8.045 -10.428 -1.796 1.00 0.00 O ATOM 1265 CB THR A 86 -9.443 -12.177 -3.728 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.523 -13.003 -4.177 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.251 -12.342 -4.659 1.00 0.00 C ATOM 0 H THR A 86 -10.399 -11.484 -1.066 1.00 0.00 H new ATOM 0 HA THR A 86 -8.741 -13.587 -2.252 1.00 0.00 H new ATOM 0 HB THR A 86 -9.754 -11.133 -3.743 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.551 -13.001 -5.157 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.543 -12.076 -5.675 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.441 -11.690 -4.332 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.914 -13.378 -4.638 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.795 -12.270 -1.469 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.624 -11.529 -1.015 1.00 0.00 C ATOM 1277 C VAL A 87 -5.091 -10.617 -2.114 1.00 0.00 C ATOM 1278 O VAL A 87 -5.148 -10.954 -3.297 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.500 -12.479 -0.561 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.232 -11.697 -0.255 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.943 -13.288 0.648 1.00 0.00 C ATOM 0 H VAL A 87 -6.672 -13.282 -1.486 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.942 -10.923 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.283 -13.173 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.449 -12.384 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.907 -11.167 -1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.431 -10.979 0.540 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.137 -13.954 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.188 -12.613 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.822 -13.878 0.389 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.573 -9.460 -1.716 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.031 -8.498 -2.668 1.00 0.00 C ATOM 1293 C TYR A 88 -2.762 -7.850 -2.124 1.00 0.00 C ATOM 1294 O TYR A 88 -2.634 -7.622 -0.920 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.071 -7.421 -2.984 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.136 -7.876 -3.956 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.847 -8.050 -5.304 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.433 -8.132 -3.526 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.817 -8.464 -6.195 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.409 -8.549 -4.410 1.00 0.00 C ATOM 1301 CZ TYR A 88 -8.097 -8.712 -5.744 1.00 0.00 C ATOM 1302 OH TYR A 88 -9.066 -9.127 -6.628 1.00 0.00 O ATOM 0 H TYR A 88 -4.517 -9.166 -0.741 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.781 -9.033 -3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.548 -7.105 -2.056 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.564 -6.548 -3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.846 -7.858 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.682 -8.003 -2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.575 -8.593 -7.240 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.411 -8.746 -4.059 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.650 -9.637 -7.354 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.826 -7.555 -3.019 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.566 -6.932 -2.631 1.00 0.00 C ATOM 1314 C ILE A 89 -0.548 -5.453 -3.001 1.00 0.00 C ATOM 1315 O ILE A 89 -0.289 -5.092 -4.150 1.00 0.00 O ATOM 1316 CB ILE A 89 0.636 -7.630 -3.293 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.370 -9.131 -3.428 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.903 -7.381 -2.489 1.00 0.00 C ATOM 1319 CD1 ILE A 89 0.173 -9.831 -2.102 1.00 0.00 C ATOM 0 H ILE A 89 -1.916 -7.737 -4.019 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.484 -7.035 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 89 0.775 -7.213 -4.290 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.517 -9.281 -4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.205 -9.594 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.743 -7.881 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.098 -6.310 -2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.777 -7.774 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.011 -10.891 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.068 -9.712 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.680 -9.394 -1.583 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.822 -4.599 -2.020 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.836 -3.158 -2.243 1.00 0.00 C ATOM 1333 C PHE A 90 0.551 -2.561 -2.028 1.00 0.00 C ATOM 1334 O PHE A 90 1.267 -2.943 -1.102 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.843 -2.486 -1.306 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.266 -2.894 -1.564 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.785 -4.044 -0.991 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -4.084 -2.128 -2.378 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -5.093 -4.422 -1.225 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.393 -2.501 -2.616 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.898 -3.650 -2.040 1.00 0.00 C ATOM 0 H PHE A 90 -1.037 -4.880 -1.063 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.134 -2.978 -3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.585 -2.728 -0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.759 -1.404 -1.410 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.160 -4.652 -0.354 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.694 -1.229 -2.832 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.486 -5.320 -0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.021 -1.894 -3.252 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.920 -3.944 -2.226 1.00 0.00 H new ATOM 1351 N ARG A 91 0.925 -1.622 -2.891 1.00 0.00 N ATOM 1352 CA ARG A 91 2.227 -0.973 -2.798 1.00 0.00 C ATOM 1353 C ARG A 91 2.092 0.540 -2.942 1.00 0.00 C ATOM 1354 O ARG A 91 1.695 1.041 -3.994 1.00 0.00 O ATOM 1355 CB ARG A 91 3.170 -1.517 -3.874 1.00 0.00 C ATOM 1356 CG ARG A 91 3.491 -2.994 -3.713 1.00 0.00 C ATOM 1357 CD ARG A 91 4.427 -3.483 -4.806 1.00 0.00 C ATOM 1358 NE ARG A 91 4.504 -4.941 -4.849 1.00 0.00 N ATOM 1359 CZ ARG A 91 5.375 -5.609 -5.597 1.00 0.00 C ATOM 1360 NH1 ARG A 91 6.238 -4.953 -6.361 1.00 0.00 N ATOM 1361 NH2 ARG A 91 5.384 -6.936 -5.582 1.00 0.00 N ATOM 0 H ARG A 91 0.344 -1.294 -3.663 1.00 0.00 H new ATOM 0 HA ARG A 91 2.644 -1.191 -1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.720 -1.356 -4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.099 -0.948 -3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.948 -3.164 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.568 -3.573 -3.737 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.084 -3.110 -5.771 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.423 -3.072 -4.641 1.00 0.00 H new ATOM 0 HE ARG A 91 3.853 -5.475 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.234 -3.933 -6.375 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.906 -5.468 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.722 -7.444 -4.996 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.053 -7.448 -6.157 1.00 0.00 H new ATOM 1375 N VAL A 92 2.425 1.263 -1.878 1.00 0.00 N ATOM 1376 CA VAL A 92 2.342 2.718 -1.885 1.00 0.00 C ATOM 1377 C VAL A 92 3.689 3.344 -2.231 1.00 0.00 C ATOM 1378 O VAL A 92 4.738 2.854 -1.814 1.00 0.00 O ATOM 1379 CB VAL A 92 1.871 3.261 -0.523 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.248 4.639 -0.683 1.00 0.00 C ATOM 1381 CG2 VAL A 92 0.889 2.295 0.124 1.00 0.00 C ATOM 0 H VAL A 92 2.755 0.864 -0.999 1.00 0.00 H new ATOM 0 HA VAL A 92 1.612 2.989 -2.648 1.00 0.00 H new ATOM 0 HB VAL A 92 2.738 3.355 0.131 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.921 5.006 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.985 5.325 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.391 4.575 -1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.566 2.694 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.023 2.168 -0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.374 1.331 0.276 1.00 0.00 H new ATOM 1391 N MET A 93 3.652 4.430 -2.995 1.00 0.00 N ATOM 1392 CA MET A 93 4.870 5.125 -3.396 1.00 0.00 C ATOM 1393 C MET A 93 4.634 6.629 -3.486 1.00 0.00 C ATOM 1394 O MET A 93 3.503 7.079 -3.666 1.00 0.00 O ATOM 1395 CB MET A 93 5.367 4.593 -4.742 1.00 0.00 C ATOM 1396 CG MET A 93 6.680 5.212 -5.192 1.00 0.00 C ATOM 1397 SD MET A 93 7.599 4.146 -6.319 1.00 0.00 S ATOM 1398 CE MET A 93 6.349 3.802 -7.555 1.00 0.00 C ATOM 0 H MET A 93 2.792 4.848 -3.349 1.00 0.00 H new ATOM 0 HA MET A 93 5.630 4.940 -2.637 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.489 3.512 -4.674 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.607 4.781 -5.501 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.479 6.165 -5.682 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.295 5.426 -4.318 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.815 3.747 -8.539 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.866 2.852 -7.329 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.604 4.598 -7.551 1.00 0.00 H new ATOM 1408 N ALA A 94 5.708 7.401 -3.359 1.00 0.00 N ATOM 1409 CA ALA A 94 5.617 8.854 -3.428 1.00 0.00 C ATOM 1410 C ALA A 94 6.130 9.373 -4.767 1.00 0.00 C ATOM 1411 O ALA A 94 6.951 8.728 -5.419 1.00 0.00 O ATOM 1412 CB ALA A 94 6.393 9.486 -2.282 1.00 0.00 C ATOM 0 H ALA A 94 6.652 7.044 -3.208 1.00 0.00 H new ATOM 0 HA ALA A 94 4.567 9.133 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.317 10.571 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.979 9.148 -1.332 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.441 9.192 -2.346 1.00 0.00 H new ATOM 1418 N GLN A 95 5.642 10.541 -5.170 1.00 0.00 N ATOM 1419 CA GLN A 95 6.051 11.145 -6.433 1.00 0.00 C ATOM 1420 C GLN A 95 6.107 12.665 -6.316 1.00 0.00 C ATOM 1421 O GLN A 95 5.122 13.306 -5.951 1.00 0.00 O ATOM 1422 CB GLN A 95 5.088 10.743 -7.551 1.00 0.00 C ATOM 1423 CG GLN A 95 5.523 9.501 -8.311 1.00 0.00 C ATOM 1424 CD GLN A 95 4.350 8.689 -8.824 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.385 9.239 -9.354 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.428 7.372 -8.668 1.00 0.00 N ATOM 0 H GLN A 95 4.963 11.088 -4.641 1.00 0.00 H new ATOM 0 HA GLN A 95 7.049 10.780 -6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 95 4.100 10.570 -7.124 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.991 11.572 -8.252 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.151 9.796 -9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 95 6.135 8.877 -7.660 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.247 6.959 -8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.668 6.774 -8.994 1.00 0.00 H new ATOM 1435 N ASN A 96 7.266 13.235 -6.629 1.00 0.00 N ATOM 1436 CA ASN A 96 7.450 14.680 -6.558 1.00 0.00 C ATOM 1437 C ASN A 96 7.771 15.256 -7.934 1.00 0.00 C ATOM 1438 O ASN A 96 7.749 14.543 -8.938 1.00 0.00 O ATOM 1439 CB ASN A 96 8.571 15.025 -5.575 1.00 0.00 C ATOM 1440 CG ASN A 96 9.942 14.662 -6.111 1.00 0.00 C ATOM 1441 OD1 ASN A 96 10.708 15.532 -6.527 1.00 0.00 O ATOM 1442 ND2 ASN A 96 10.258 13.372 -6.104 1.00 0.00 N ATOM 0 H ASN A 96 8.091 12.719 -6.934 1.00 0.00 H new ATOM 0 HA ASN A 96 6.518 15.123 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.541 16.092 -5.354 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.401 14.500 -4.635 1.00 0.00 H new ATOM 0 HD21 ASN A 96 11.167 13.068 -6.453 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.592 12.686 -5.750 1.00 0.00 H new ATOM 1449 N LYS A 97 8.070 16.550 -7.973 1.00 0.00 N ATOM 1450 CA LYS A 97 8.398 17.222 -9.225 1.00 0.00 C ATOM 1451 C LYS A 97 9.383 16.396 -10.045 1.00 0.00 C ATOM 1452 O LYS A 97 9.499 16.574 -11.258 1.00 0.00 O ATOM 1453 CB LYS A 97 8.986 18.607 -8.944 1.00 0.00 C ATOM 1454 CG LYS A 97 10.374 18.565 -8.328 1.00 0.00 C ATOM 1455 CD LYS A 97 11.456 18.534 -9.394 1.00 0.00 C ATOM 1456 CE LYS A 97 11.880 19.938 -9.799 1.00 0.00 C ATOM 1457 NZ LYS A 97 10.929 20.546 -10.770 1.00 0.00 N ATOM 0 H LYS A 97 8.092 17.155 -7.152 1.00 0.00 H new ATOM 0 HA LYS A 97 7.479 17.333 -9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 97 9.028 19.170 -9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.317 19.148 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.516 19.437 -7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.464 17.685 -7.691 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.321 17.985 -9.021 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.091 17.996 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.945 20.568 -8.912 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.876 19.904 -10.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.413 21.292 -11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 10.585 19.814 -11.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.124 20.957 -10.256 1.00 0.00 H new ATOM 1471 N HIS A 98 10.091 15.492 -9.375 1.00 0.00 N ATOM 1472 CA HIS A 98 11.066 14.636 -10.043 1.00 0.00 C ATOM 1473 C HIS A 98 10.379 13.446 -10.706 1.00 0.00 C ATOM 1474 O HIS A 98 10.342 13.342 -11.931 1.00 0.00 O ATOM 1475 CB HIS A 98 12.113 14.144 -9.044 1.00 0.00 C ATOM 1476 CG HIS A 98 13.030 15.224 -8.556 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.399 15.572 -7.302 1.00 0.00 N flip ATOM 1478 CD2 HIS A 98 13.683 16.096 -9.402 1.00 0.00 C flip ATOM 1479 CE1 HIS A 98 14.261 16.636 -7.411 1.00 0.00 C flip ATOM 1480 NE2 HIS A 98 14.416 16.932 -8.689 1.00 0.00 N flip ATOM 0 H HIS A 98 10.008 15.333 -8.371 1.00 0.00 H new ATOM 0 HA HIS A 98 11.561 15.224 -10.816 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.606 13.696 -8.190 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.707 13.358 -9.510 1.00 0.00 H new ATOM 0 HD2 HIS A 98 13.607 16.095 -10.479 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.735 17.147 -6.586 1.00 0.00 H new ATOM 0 HE2 HIS A 98 15.002 17.679 -9.062 1.00 0.00 H new ATOM 1489 N GLY A 99 9.838 12.549 -9.887 1.00 0.00 N ATOM 1490 CA GLY A 99 9.162 11.377 -10.412 1.00 0.00 C ATOM 1491 C GLY A 99 8.887 10.338 -9.344 1.00 0.00 C ATOM 1492 O GLY A 99 8.617 10.679 -8.192 1.00 0.00 O ATOM 0 H GLY A 99 9.856 12.613 -8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.221 11.680 -10.871 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.771 10.932 -11.199 1.00 0.00 H new ATOM 1496 N SER A 100 8.954 9.067 -9.725 1.00 0.00 N ATOM 1497 CA SER A 100 8.705 7.974 -8.792 1.00 0.00 C ATOM 1498 C SER A 100 9.990 7.568 -8.076 1.00 0.00 C ATOM 1499 O SER A 100 10.949 7.122 -8.704 1.00 0.00 O ATOM 1500 CB SER A 100 8.116 6.770 -9.529 1.00 0.00 C ATOM 1501 OG SER A 100 9.041 6.242 -10.464 1.00 0.00 O ATOM 0 H SER A 100 9.179 8.768 -10.674 1.00 0.00 H new ATOM 0 HA SER A 100 7.988 8.321 -8.047 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.841 5.999 -8.810 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.202 7.066 -10.044 1.00 0.00 H new ATOM 0 HG SER A 100 9.953 6.472 -10.188 1.00 0.00 H new ATOM 1507 N GLY A 101 10.000 7.727 -6.756 1.00 0.00 N ATOM 1508 CA GLY A 101 11.171 7.373 -5.975 1.00 0.00 C ATOM 1509 C GLY A 101 11.212 5.897 -5.630 1.00 0.00 C ATOM 1510 O GLY A 101 11.334 5.050 -6.514 1.00 0.00 O ATOM 0 H GLY A 101 9.218 8.095 -6.214 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.070 7.638 -6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.182 7.959 -5.056 1.00 0.00 H new ATOM 1514 N GLU A 102 11.113 5.590 -4.340 1.00 0.00 N ATOM 1515 CA GLU A 102 11.143 4.206 -3.881 1.00 0.00 C ATOM 1516 C GLU A 102 9.738 3.713 -3.548 1.00 0.00 C ATOM 1517 O GLU A 102 8.943 4.433 -2.944 1.00 0.00 O ATOM 1518 CB GLU A 102 12.047 4.072 -2.654 1.00 0.00 C ATOM 1519 CG GLU A 102 12.170 2.647 -2.141 1.00 0.00 C ATOM 1520 CD GLU A 102 12.844 2.571 -0.785 1.00 0.00 C ATOM 1521 OE1 GLU A 102 12.165 2.827 0.231 1.00 0.00 O ATOM 1522 OE2 GLU A 102 14.052 2.255 -0.741 1.00 0.00 O ATOM 0 H GLU A 102 11.012 6.280 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 102 11.543 3.591 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 102 13.040 4.447 -2.902 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.658 4.704 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.177 2.202 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.738 2.054 -2.858 1.00 0.00 H new ATOM 1529 N SER A 103 9.440 2.481 -3.946 1.00 0.00 N ATOM 1530 CA SER A 103 8.130 1.892 -3.694 1.00 0.00 C ATOM 1531 C SER A 103 8.089 1.225 -2.322 1.00 0.00 C ATOM 1532 O SER A 103 8.950 0.410 -1.990 1.00 0.00 O ATOM 1533 CB SER A 103 7.788 0.871 -4.781 1.00 0.00 C ATOM 1534 OG SER A 103 8.603 -0.283 -4.670 1.00 0.00 O ATOM 0 H SER A 103 10.088 1.871 -4.444 1.00 0.00 H new ATOM 0 HA SER A 103 7.390 2.692 -3.712 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.738 0.588 -4.701 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.923 1.322 -5.764 1.00 0.00 H new ATOM 0 HG SER A 103 9.051 -0.284 -3.799 1.00 0.00 H new ATOM 1540 N SER A 104 7.081 1.576 -1.530 1.00 0.00 N ATOM 1541 CA SER A 104 6.928 1.015 -0.193 1.00 0.00 C ATOM 1542 C SER A 104 6.867 -0.508 -0.247 1.00 0.00 C ATOM 1543 O SER A 104 6.797 -1.100 -1.323 1.00 0.00 O ATOM 1544 CB SER A 104 5.665 1.564 0.473 1.00 0.00 C ATOM 1545 OG SER A 104 4.502 0.959 -0.064 1.00 0.00 O ATOM 0 H SER A 104 6.358 2.246 -1.791 1.00 0.00 H new ATOM 0 HA SER A 104 7.797 1.306 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.709 1.385 1.547 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.615 2.644 0.332 1.00 0.00 H new ATOM 0 HG SER A 104 3.863 0.780 0.658 1.00 0.00 H new ATOM 1551 N ALA A 105 6.895 -1.137 0.924 1.00 0.00 N ATOM 1552 CA ALA A 105 6.841 -2.591 1.012 1.00 0.00 C ATOM 1553 C ALA A 105 5.475 -3.116 0.584 1.00 0.00 C ATOM 1554 O ALA A 105 4.446 -2.466 0.770 1.00 0.00 O ATOM 1555 CB ALA A 105 7.164 -3.047 2.427 1.00 0.00 C ATOM 0 H ALA A 105 6.955 -0.662 1.825 1.00 0.00 H new ATOM 0 HA ALA A 105 7.588 -2.999 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.120 -4.135 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.165 -2.711 2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.439 -2.622 3.121 1.00 0.00 H new ATOM 1561 N PRO A 106 5.461 -4.322 -0.005 1.00 0.00 N ATOM 1562 CA PRO A 106 4.227 -4.961 -0.472 1.00 0.00 C ATOM 1563 C PRO A 106 3.332 -5.405 0.680 1.00 0.00 C ATOM 1564 O PRO A 106 3.628 -6.383 1.369 1.00 0.00 O ATOM 1565 CB PRO A 106 4.731 -6.175 -1.256 1.00 0.00 C ATOM 1566 CG PRO A 106 6.066 -6.478 -0.667 1.00 0.00 C ATOM 1567 CD PRO A 106 6.649 -5.154 -0.259 1.00 0.00 C ATOM 0 HA PRO A 106 3.614 -4.280 -1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.052 -7.022 -1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.809 -5.954 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 106 5.972 -7.144 0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.707 -6.980 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.272 -5.246 0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.275 -4.731 -1.045 1.00 0.00 H new ATOM 1575 N LEU A 107 2.238 -4.681 0.886 1.00 0.00 N ATOM 1576 CA LEU A 107 1.298 -5.000 1.955 1.00 0.00 C ATOM 1577 C LEU A 107 0.279 -6.037 1.493 1.00 0.00 C ATOM 1578 O LEU A 107 -0.376 -5.862 0.466 1.00 0.00 O ATOM 1579 CB LEU A 107 0.579 -3.735 2.424 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.464 -3.924 3.527 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.202 -4.371 4.819 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.249 -2.639 3.745 1.00 0.00 C ATOM 0 H LEU A 107 1.980 -3.868 0.326 1.00 0.00 H new ATOM 0 HA LEU A 107 1.863 -5.419 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.328 -3.026 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.090 -3.279 1.563 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.160 -4.702 3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.555 -4.501 5.593 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.718 -5.317 4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.921 -3.616 5.138 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -1.986 -2.792 4.533 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.567 -1.841 4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.757 -2.362 2.821 1.00 0.00 H new ATOM 1594 N ARG A 108 0.150 -7.115 2.260 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.790 -8.179 1.929 1.00 0.00 C ATOM 1596 C ARG A 108 -2.124 -7.965 2.638 1.00 0.00 C ATOM 1597 O ARG A 108 -2.235 -8.160 3.849 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.208 -9.540 2.315 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.175 -10.695 2.112 1.00 0.00 C ATOM 1600 CD ARG A 108 -0.561 -12.018 2.542 1.00 0.00 C ATOM 1601 NE ARG A 108 -0.425 -12.113 3.993 1.00 0.00 N ATOM 1602 CZ ARG A 108 -0.032 -13.214 4.624 1.00 0.00 C ATOM 1603 NH1 ARG A 108 0.263 -14.308 3.935 1.00 0.00 N ATOM 1604 NH2 ARG A 108 0.067 -13.222 5.947 1.00 0.00 N ATOM 0 H ARG A 108 0.684 -7.274 3.114 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.962 -8.157 0.853 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.691 -9.722 1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 108 0.097 -9.512 3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -2.086 -10.513 2.682 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -1.462 -10.750 1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -1.181 -12.839 2.182 1.00 0.00 H new ATOM 0 HD3 ARG A 108 0.419 -12.131 2.078 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.644 -11.289 4.553 1.00 0.00 H new ATOM 0 HH11 ARG A 108 0.188 -14.306 2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 108 0.564 -15.152 4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.159 -12.382 6.480 1.00 0.00 H new ATOM 0 HH22 ARG A 108 0.369 -14.068 6.431 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.136 -7.563 1.875 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.463 -7.323 2.429 1.00 0.00 C ATOM 1620 C VAL A 109 -5.491 -8.274 1.827 1.00 0.00 C ATOM 1621 O VAL A 109 -5.615 -8.376 0.607 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.919 -5.872 2.186 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.310 -5.645 2.759 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.921 -4.892 2.786 1.00 0.00 C ATOM 0 H VAL A 109 -3.062 -7.397 0.871 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.394 -7.500 3.502 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.962 -5.700 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.615 -4.614 2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.016 -6.322 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.297 -5.836 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.259 -3.872 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.843 -5.063 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.945 -5.038 2.324 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.225 -8.968 2.691 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.242 -9.912 2.243 1.00 0.00 C ATOM 1636 C GLU A 110 -8.643 -9.364 2.497 1.00 0.00 C ATOM 1637 O GLU A 110 -8.970 -8.955 3.612 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.071 -11.256 2.956 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.053 -12.319 2.492 1.00 0.00 C ATOM 1640 CD GLU A 110 -7.789 -13.672 3.125 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -8.076 -13.830 4.330 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -7.295 -14.572 2.414 1.00 0.00 O ATOM 0 H GLU A 110 -6.134 -8.894 3.704 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.117 -10.059 1.170 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.055 -11.617 2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.190 -11.107 4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.068 -12.001 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.997 -12.412 1.407 1.00 0.00 H new ATOM 1649 N THR A 111 -9.467 -9.357 1.454 1.00 0.00 N ATOM 1650 CA THR A 111 -10.832 -8.857 1.562 1.00 0.00 C ATOM 1651 C THR A 111 -11.696 -9.794 2.399 1.00 0.00 C ATOM 1652 O THR A 111 -11.216 -10.808 2.906 1.00 0.00 O ATOM 1653 CB THR A 111 -11.478 -8.683 0.175 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.099 -9.766 -0.682 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.061 -7.362 -0.454 1.00 0.00 C ATOM 0 H THR A 111 -9.213 -9.692 0.525 1.00 0.00 H new ATOM 0 HA THR A 111 -10.775 -7.885 2.052 1.00 0.00 H new ATOM 0 HB THR A 111 -12.561 -8.682 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.196 -9.492 -1.618 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.530 -7.261 -1.433 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.377 -6.538 0.186 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.977 -7.339 -0.566 1.00 0.00 H new ATOM 1663 N GLN A 112 -12.972 -9.449 2.538 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.902 -10.261 3.313 1.00 0.00 C ATOM 1665 C GLN A 112 -14.801 -11.085 2.396 1.00 0.00 C ATOM 1666 O GLN A 112 -15.278 -10.611 1.365 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.756 -9.372 4.219 1.00 0.00 C ATOM 1668 CG GLN A 112 -14.074 -8.071 4.612 1.00 0.00 C ATOM 1669 CD GLN A 112 -14.624 -7.490 5.899 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -15.743 -7.803 6.307 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -13.838 -6.637 6.547 1.00 0.00 N ATOM 0 H GLN A 112 -13.385 -8.613 2.124 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.320 -10.945 3.931 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.693 -9.143 3.711 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -15.011 -9.926 5.122 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.004 -8.246 4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.195 -7.344 3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.918 -6.406 6.172 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.155 -6.213 7.419 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.038 -12.348 2.779 1.00 0.00 N ATOM 1681 CA PRO A 113 -15.881 -13.265 2.005 1.00 0.00 C ATOM 1682 C PRO A 113 -17.354 -12.872 2.046 1.00 0.00 C ATOM 1683 O PRO A 113 -18.042 -13.117 3.036 1.00 0.00 O ATOM 1684 CB PRO A 113 -15.667 -14.613 2.697 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.275 -14.265 4.091 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.502 -12.980 3.996 1.00 0.00 C ATOM 0 HA PRO A 113 -15.617 -13.267 0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -16.575 -15.215 2.680 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.890 -15.194 2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.154 -14.146 4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.667 -15.054 4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.655 -12.353 4.875 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.430 -13.161 3.916 1.00 0.00 H new