USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 698 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 84 MET CE :methyl -109:sc= -2.31 (180deg=-8.62!) USER MOD Set 1.2: A 86 CYS SG : rot 98:sc= 0.811 USER MOD Set 2.1: A 50 ASN : amide:sc= -3.33! C(o=-5!,f=-6!) USER MOD Set 2.2: A 69 MET CE :methyl 144:sc= -1.69! (180deg=0) USER MOD Set 3.1: A 35 THR OG1 : rot 75:sc= -0.417 USER MOD Set 3.2: A 76 LYS NZ :NH3+ 176:sc= 0.00954 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.27) USER MOD Single : A 28 ASN : amide:sc= -0.192 K(o=-0.19,f=-3!) USER MOD Single : A 30 THR OG1 : rot -120:sc= -1.38 USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0717) USER MOD Single : A 32 ASN : amide:sc= -1.04 K(o=-1,f=-3.5) USER MOD Single : A 33 SER OG : rot 47:sc= -4.99! USER MOD Single : A 37 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.091) USER MOD Single : A 39 LYS NZ :NH3+ 165:sc=-0.00117 (180deg=-0.0994) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.457 X(o=-0.46,f=-0.85) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -2.93 K(o=-2.9,f=-13!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.442 X(o=-0.44,f=0) USER MOD Single : A 67 CYS SG : rot 100:sc= 1.21 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.881 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 1 K(o=1,f=-6.1!) USER MOD Single : A 73 LYS NZ :NH3+ -129:sc= -0.171 (180deg=-0.812) USER MOD Single : A 74 GLN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 153:sc= -0.724 (180deg=-1.62!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -148:sc= 1.38 USER MOD Single : A 94 ASN : amide:sc= -2.27! C(o=-2.3!,f=-12!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot -121:sc= -0.635 USER MOD Single : A 99 SER OG : rot -68:sc= 1.02 USER MOD Single : A 102 SER OG : rot 100:sc= 1.01 USER MOD Single : A 107 TYR OH : rot 150:sc= -0.199 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -163:sc= 0.499 USER MOD Single : A 110 SER OG : rot 180:sc= -0.311 USER MOD ----------------------------------------------------------------- ATOM 214 N PRO A 18 1.960 13.426 -0.052 1.00 0.00 N ATOM 215 CA PRO A 18 1.212 12.941 -1.215 1.00 0.00 C ATOM 216 C PRO A 18 -0.075 12.225 -0.820 1.00 0.00 C ATOM 217 O PRO A 18 -0.420 12.156 0.360 1.00 0.00 O ATOM 218 CB PRO A 18 2.185 11.964 -1.880 1.00 0.00 C ATOM 219 CG PRO A 18 3.076 11.507 -0.776 1.00 0.00 C ATOM 220 CD PRO A 18 3.209 12.676 0.159 1.00 0.00 C ATOM 0 HA PRO A 18 0.895 13.757 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.656 11.126 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 18 2.754 12.450 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.651 10.644 -0.264 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.049 11.202 -1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.313 12.352 1.195 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.085 13.280 -0.076 1.00 0.00 H new ATOM 228 N ASP A 19 -0.780 11.694 -1.812 1.00 0.00 N ATOM 229 CA ASP A 19 -2.028 10.981 -1.567 1.00 0.00 C ATOM 230 C ASP A 19 -1.757 9.554 -1.101 1.00 0.00 C ATOM 231 O ASP A 19 -0.723 8.970 -1.428 1.00 0.00 O ATOM 232 CB ASP A 19 -2.887 10.963 -2.833 1.00 0.00 C ATOM 233 CG ASP A 19 -4.239 10.316 -2.607 1.00 0.00 C ATOM 234 OD1 ASP A 19 -5.147 11.003 -2.095 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.388 9.121 -2.940 1.00 0.00 O ATOM 0 H ASP A 19 -0.509 11.744 -2.794 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.568 11.505 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.031 11.984 -3.185 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.358 10.426 -3.620 1.00 0.00 H new ATOM 240 N ILE A 20 -2.691 8.999 -0.337 1.00 0.00 N ATOM 241 CA ILE A 20 -2.552 7.641 0.174 1.00 0.00 C ATOM 242 C ILE A 20 -2.600 6.621 -0.959 1.00 0.00 C ATOM 243 O ILE A 20 -3.588 6.507 -1.684 1.00 0.00 O ATOM 244 CB ILE A 20 -3.655 7.308 1.196 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.608 8.291 2.368 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.505 5.878 1.691 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.838 8.243 3.247 1.00 0.00 C ATOM 0 H ILE A 20 -3.552 9.469 -0.058 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.582 7.587 0.669 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.624 7.402 0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.729 8.077 2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.489 9.302 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.292 5.658 2.413 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.583 5.191 0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.532 5.758 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.735 8.966 4.057 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.719 8.486 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.947 7.243 3.666 1.00 0.00 H new ATOM 259 N PRO A 21 -1.507 5.859 -1.115 1.00 0.00 N ATOM 260 CA PRO A 21 -1.400 4.832 -2.156 1.00 0.00 C ATOM 261 C PRO A 21 -2.313 3.640 -1.890 1.00 0.00 C ATOM 262 O PRO A 21 -2.745 3.417 -0.760 1.00 0.00 O ATOM 263 CB PRO A 21 0.069 4.407 -2.085 1.00 0.00 C ATOM 264 CG PRO A 21 0.487 4.719 -0.689 1.00 0.00 C ATOM 265 CD PRO A 21 -0.292 5.941 -0.287 1.00 0.00 C ATOM 0 HA PRO A 21 -1.702 5.209 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.185 3.346 -2.305 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.674 4.951 -2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.274 3.884 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.560 4.905 -0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.530 5.934 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.267 6.856 -0.483 1.00 0.00 H new ATOM 273 N ASN A 22 -2.602 2.877 -2.939 1.00 0.00 N ATOM 274 CA ASN A 22 -3.464 1.707 -2.818 1.00 0.00 C ATOM 275 C ASN A 22 -2.772 0.600 -2.028 1.00 0.00 C ATOM 276 O ASN A 22 -1.546 0.492 -2.007 1.00 0.00 O ATOM 277 CB ASN A 22 -3.855 1.190 -4.205 1.00 0.00 C ATOM 278 CG ASN A 22 -3.941 2.302 -5.233 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.259 2.269 -6.257 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.782 3.294 -4.962 1.00 0.00 N ATOM 0 H ASN A 22 -2.252 3.048 -3.882 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.364 2.005 -2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.124 0.451 -4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.817 0.681 -4.142 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.882 4.070 -5.616 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.327 3.279 -4.100 1.00 0.00 H new ATOM 287 N PRO A 23 -3.575 -0.242 -1.362 1.00 0.00 N ATOM 288 CA PRO A 23 -3.063 -1.356 -0.559 1.00 0.00 C ATOM 289 C PRO A 23 -2.455 -2.460 -1.418 1.00 0.00 C ATOM 290 O PRO A 23 -2.931 -2.758 -2.514 1.00 0.00 O ATOM 291 CB PRO A 23 -4.307 -1.870 0.170 1.00 0.00 C ATOM 292 CG PRO A 23 -5.448 -1.473 -0.702 1.00 0.00 C ATOM 293 CD PRO A 23 -5.046 -0.173 -1.342 1.00 0.00 C ATOM 0 HA PRO A 23 -2.261 -1.041 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.269 -2.951 0.304 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.395 -1.428 1.163 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.646 -2.235 -1.456 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.362 -1.355 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.457 -0.076 -2.347 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.400 0.684 -0.768 1.00 0.00 H new ATOM 301 N PRO A 24 -1.380 -3.081 -0.912 1.00 0.00 N ATOM 302 CA PRO A 24 -0.685 -4.162 -1.618 1.00 0.00 C ATOM 303 C PRO A 24 -1.515 -5.440 -1.682 1.00 0.00 C ATOM 304 O PRO A 24 -2.292 -5.733 -0.772 1.00 0.00 O ATOM 305 CB PRO A 24 0.574 -4.384 -0.776 1.00 0.00 C ATOM 306 CG PRO A 24 0.204 -3.913 0.589 1.00 0.00 C ATOM 307 CD PRO A 24 -0.759 -2.777 0.388 1.00 0.00 C ATOM 0 HA PRO A 24 -0.480 -3.904 -2.657 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.864 -5.435 -0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.420 -3.823 -1.173 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.254 -4.715 1.168 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.085 -3.585 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.500 -2.732 1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.248 -1.815 0.374 1.00 0.00 H new ATOM 315 N ARG A 25 -1.346 -6.197 -2.761 1.00 0.00 N ATOM 316 CA ARG A 25 -2.080 -7.443 -2.943 1.00 0.00 C ATOM 317 C ARG A 25 -1.158 -8.647 -2.774 1.00 0.00 C ATOM 318 O ARG A 25 0.054 -8.496 -2.617 1.00 0.00 O ATOM 319 CB ARG A 25 -2.733 -7.477 -4.326 1.00 0.00 C ATOM 320 CG ARG A 25 -1.778 -7.139 -5.459 1.00 0.00 C ATOM 321 CD ARG A 25 -2.195 -7.811 -6.758 1.00 0.00 C ATOM 322 NE ARG A 25 -1.103 -7.855 -7.726 1.00 0.00 N ATOM 323 CZ ARG A 25 -1.258 -8.221 -8.994 1.00 0.00 C ATOM 324 NH1 ARG A 25 -2.455 -8.572 -9.444 1.00 0.00 N ATOM 325 NH2 ARG A 25 -0.215 -8.236 -9.814 1.00 0.00 N ATOM 0 H ARG A 25 -0.707 -5.969 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.857 -7.493 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.150 -8.469 -4.497 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.566 -6.774 -4.342 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.747 -6.059 -5.600 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.769 -7.454 -5.192 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.535 -8.825 -6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.040 -7.274 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.169 -7.590 -7.412 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.259 -8.561 -8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.572 -8.853 -10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.707 -7.966 -9.471 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.335 -8.517 -10.787 1.00 0.00 H new ATOM 339 N ILE A 26 -1.740 -9.841 -2.807 1.00 0.00 N ATOM 340 CA ILE A 26 -0.971 -11.070 -2.658 1.00 0.00 C ATOM 341 C ILE A 26 -0.694 -11.712 -4.013 1.00 0.00 C ATOM 342 O ILE A 26 -1.617 -12.020 -4.766 1.00 0.00 O ATOM 343 CB ILE A 26 -1.701 -12.086 -1.761 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.428 -11.785 -0.286 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.271 -13.504 -2.106 1.00 0.00 C ATOM 346 CD1 ILE A 26 -0.054 -12.218 0.175 1.00 0.00 C ATOM 0 H ILE A 26 -2.742 -9.983 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.026 -10.796 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.773 -12.000 -1.938 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.539 -10.714 -0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.181 -12.284 0.324 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.796 -14.210 -1.463 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.512 -13.714 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.196 -13.605 -1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.070 -11.973 1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.054 -13.294 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.706 -11.699 -0.409 1.00 0.00 H new ATOM 358 N ALA A 27 0.584 -11.914 -4.316 1.00 0.00 N ATOM 359 CA ALA A 27 0.983 -12.524 -5.579 1.00 0.00 C ATOM 360 C ALA A 27 1.560 -13.918 -5.357 1.00 0.00 C ATOM 361 O ALA A 27 1.720 -14.691 -6.300 1.00 0.00 O ATOM 362 CB ALA A 27 1.993 -11.640 -6.296 1.00 0.00 C ATOM 0 H ALA A 27 1.361 -11.664 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 27 0.095 -12.622 -6.204 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.282 -12.107 -7.237 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.546 -10.666 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.875 -11.512 -5.668 1.00 0.00 H new ATOM 368 N ASN A 28 1.872 -14.232 -4.103 1.00 0.00 N ATOM 369 CA ASN A 28 2.433 -15.533 -3.758 1.00 0.00 C ATOM 370 C ASN A 28 2.595 -15.672 -2.247 1.00 0.00 C ATOM 371 O ASN A 28 3.395 -14.968 -1.631 1.00 0.00 O ATOM 372 CB ASN A 28 3.786 -15.727 -4.447 1.00 0.00 C ATOM 373 CG ASN A 28 4.295 -17.151 -4.328 1.00 0.00 C ATOM 374 OD1 ASN A 28 3.694 -17.983 -3.649 1.00 0.00 O ATOM 375 ND2 ASN A 28 5.411 -17.437 -4.990 1.00 0.00 N ATOM 0 H ASN A 28 1.746 -13.603 -3.310 1.00 0.00 H new ATOM 0 HA ASN A 28 1.743 -16.302 -4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.696 -15.463 -5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.515 -15.045 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.802 -18.378 -4.947 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.876 -16.716 -5.541 1.00 0.00 H new ATOM 382 N ARG A 29 1.830 -16.585 -1.658 1.00 0.00 N ATOM 383 CA ARG A 29 1.887 -16.816 -0.219 1.00 0.00 C ATOM 384 C ARG A 29 2.254 -18.266 0.084 1.00 0.00 C ATOM 385 O ARG A 29 1.697 -19.195 -0.502 1.00 0.00 O ATOM 386 CB ARG A 29 0.545 -16.472 0.428 1.00 0.00 C ATOM 387 CG ARG A 29 -0.602 -17.350 -0.044 1.00 0.00 C ATOM 388 CD ARG A 29 -1.832 -17.181 0.834 1.00 0.00 C ATOM 389 NE ARG A 29 -2.844 -18.198 0.560 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.699 -18.130 -0.455 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.663 -17.100 -1.288 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.591 -19.095 -0.638 1.00 0.00 N ATOM 0 H ARG A 29 1.164 -17.177 -2.154 1.00 0.00 H new ATOM 0 HA ARG A 29 2.659 -16.169 0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.639 -16.563 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.305 -15.430 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.853 -17.100 -1.075 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.289 -18.394 -0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.539 -17.234 1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.260 -16.191 0.672 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.897 -19.005 1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.978 -16.357 -1.151 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.320 -17.050 -2.066 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.621 -19.890 0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.247 -19.042 -1.417 1.00 0.00 H new ATOM 406 N THR A 30 3.196 -18.453 1.004 1.00 0.00 N ATOM 407 CA THR A 30 3.638 -19.789 1.384 1.00 0.00 C ATOM 408 C THR A 30 3.480 -20.015 2.883 1.00 0.00 C ATOM 409 O THR A 30 2.977 -19.151 3.602 1.00 0.00 O ATOM 410 CB THR A 30 5.109 -20.026 0.992 1.00 0.00 C ATOM 411 OG1 THR A 30 5.888 -18.861 1.286 1.00 0.00 O ATOM 412 CG2 THR A 30 5.228 -20.363 -0.486 1.00 0.00 C ATOM 0 H THR A 30 3.667 -17.696 1.499 1.00 0.00 H new ATOM 0 HA THR A 30 3.007 -20.496 0.845 1.00 0.00 H new ATOM 0 HB THR A 30 5.485 -20.869 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.296 -18.524 0.461 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.276 -20.526 -0.739 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.658 -21.267 -0.700 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.836 -19.538 -1.080 1.00 0.00 H new ATOM 420 N LYS A 31 3.914 -21.180 3.350 1.00 0.00 N ATOM 421 CA LYS A 31 3.823 -21.520 4.765 1.00 0.00 C ATOM 422 C LYS A 31 5.035 -20.997 5.529 1.00 0.00 C ATOM 423 O LYS A 31 5.039 -20.966 6.759 1.00 0.00 O ATOM 424 CB LYS A 31 3.711 -23.036 4.940 1.00 0.00 C ATOM 425 CG LYS A 31 2.804 -23.701 3.920 1.00 0.00 C ATOM 426 CD LYS A 31 1.358 -23.720 4.387 1.00 0.00 C ATOM 427 CE LYS A 31 1.102 -24.860 5.361 1.00 0.00 C ATOM 428 NZ LYS A 31 1.045 -26.178 4.670 1.00 0.00 N ATOM 0 H LYS A 31 4.333 -21.906 2.769 1.00 0.00 H new ATOM 0 HA LYS A 31 2.929 -21.047 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.706 -23.476 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.337 -23.251 5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.873 -23.171 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.143 -24.721 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.116 -22.771 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.698 -23.821 3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.890 -24.878 6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.163 -24.685 5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.672 -26.896 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.423 -26.108 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.001 -26.451 4.364 1.00 0.00 H new ATOM 442 N ASN A 32 6.062 -20.586 4.791 1.00 0.00 N ATOM 443 CA ASN A 32 7.279 -20.064 5.400 1.00 0.00 C ATOM 444 C ASN A 32 7.742 -18.795 4.690 1.00 0.00 C ATOM 445 O ASN A 32 8.921 -18.445 4.728 1.00 0.00 O ATOM 446 CB ASN A 32 8.388 -21.118 5.359 1.00 0.00 C ATOM 447 CG ASN A 32 7.889 -22.497 5.747 1.00 0.00 C ATOM 448 OD1 ASN A 32 7.046 -23.078 5.064 1.00 0.00 O ATOM 449 ND2 ASN A 32 8.410 -23.026 6.848 1.00 0.00 N ATOM 0 H ASN A 32 6.075 -20.605 3.771 1.00 0.00 H new ATOM 0 HA ASN A 32 7.059 -19.818 6.439 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.812 -21.157 4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.192 -20.822 6.033 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.114 -23.951 7.159 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.107 -22.507 7.383 1.00 0.00 H new ATOM 456 N SER A 33 6.804 -18.111 4.042 1.00 0.00 N ATOM 457 CA SER A 33 7.116 -16.883 3.320 1.00 0.00 C ATOM 458 C SER A 33 5.847 -16.240 2.769 1.00 0.00 C ATOM 459 O SER A 33 4.782 -16.859 2.748 1.00 0.00 O ATOM 460 CB SER A 33 8.092 -17.171 2.178 1.00 0.00 C ATOM 461 OG SER A 33 9.435 -17.022 2.606 1.00 0.00 O ATOM 0 H SER A 33 5.823 -18.386 4.002 1.00 0.00 H new ATOM 0 HA SER A 33 7.581 -16.188 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.935 -18.184 1.808 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.894 -16.494 1.347 1.00 0.00 H new ATOM 0 HG SER A 33 9.561 -17.491 3.457 1.00 0.00 H new ATOM 467 N LEU A 34 5.968 -14.995 2.323 1.00 0.00 N ATOM 468 CA LEU A 34 4.831 -14.266 1.771 1.00 0.00 C ATOM 469 C LEU A 34 5.291 -13.239 0.741 1.00 0.00 C ATOM 470 O LEU A 34 6.321 -12.587 0.915 1.00 0.00 O ATOM 471 CB LEU A 34 4.054 -13.571 2.889 1.00 0.00 C ATOM 472 CG LEU A 34 2.932 -14.385 3.534 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.529 -13.777 4.869 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.732 -14.472 2.602 1.00 0.00 C ATOM 0 H LEU A 34 6.842 -14.469 2.333 1.00 0.00 H new ATOM 0 HA LEU A 34 4.177 -14.983 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.759 -13.281 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.625 -12.652 2.489 1.00 0.00 H new ATOM 0 HG LEU A 34 3.301 -15.395 3.715 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.729 -14.370 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.389 -13.768 5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.180 -12.756 4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.943 -15.055 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.363 -13.469 2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.029 -14.955 1.671 1.00 0.00 H new ATOM 486 N THR A 35 4.519 -13.099 -0.333 1.00 0.00 N ATOM 487 CA THR A 35 4.846 -12.150 -1.390 1.00 0.00 C ATOM 488 C THR A 35 3.754 -11.097 -1.541 1.00 0.00 C ATOM 489 O THR A 35 2.573 -11.426 -1.660 1.00 0.00 O ATOM 490 CB THR A 35 5.048 -12.863 -2.741 1.00 0.00 C ATOM 491 OG1 THR A 35 5.890 -14.008 -2.570 1.00 0.00 O ATOM 492 CG2 THR A 35 5.665 -11.920 -3.763 1.00 0.00 C ATOM 0 H THR A 35 3.663 -13.631 -0.493 1.00 0.00 H new ATOM 0 HA THR A 35 5.778 -11.663 -1.102 1.00 0.00 H new ATOM 0 HB THR A 35 4.073 -13.183 -3.108 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.383 -14.725 -2.134 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.798 -12.445 -4.709 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.006 -11.064 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.633 -11.574 -3.401 1.00 0.00 H new ATOM 500 N LEU A 36 4.156 -9.831 -1.538 1.00 0.00 N ATOM 501 CA LEU A 36 3.210 -8.729 -1.676 1.00 0.00 C ATOM 502 C LEU A 36 3.639 -7.780 -2.790 1.00 0.00 C ATOM 503 O LEU A 36 4.818 -7.448 -2.916 1.00 0.00 O ATOM 504 CB LEU A 36 3.092 -7.964 -0.357 1.00 0.00 C ATOM 505 CG LEU A 36 2.617 -8.775 0.849 1.00 0.00 C ATOM 506 CD1 LEU A 36 3.024 -8.093 2.146 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.108 -8.972 0.799 1.00 0.00 C ATOM 0 H LEU A 36 5.129 -9.542 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 36 2.237 -9.148 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.066 -7.535 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.404 -7.131 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 36 3.093 -9.755 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.677 -8.685 2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.110 -8.005 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.577 -7.100 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.788 -9.551 1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.614 -8.001 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.841 -9.505 -0.113 1.00 0.00 H new ATOM 519 N GLN A 37 2.675 -7.345 -3.595 1.00 0.00 N ATOM 520 CA GLN A 37 2.954 -6.433 -4.698 1.00 0.00 C ATOM 521 C GLN A 37 2.060 -5.199 -4.622 1.00 0.00 C ATOM 522 O GLN A 37 0.940 -5.262 -4.117 1.00 0.00 O ATOM 523 CB GLN A 37 2.752 -7.142 -6.038 1.00 0.00 C ATOM 524 CG GLN A 37 3.897 -8.068 -6.415 1.00 0.00 C ATOM 525 CD GLN A 37 4.081 -8.189 -7.914 1.00 0.00 C ATOM 526 OE1 GLN A 37 4.335 -7.199 -8.602 1.00 0.00 O ATOM 527 NE2 GLN A 37 3.953 -9.405 -8.431 1.00 0.00 N ATOM 0 H GLN A 37 1.694 -7.609 -3.504 1.00 0.00 H new ATOM 0 HA GLN A 37 3.993 -6.113 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.828 -7.718 -5.999 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.628 -6.393 -6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.820 -7.698 -5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.713 -9.057 -5.995 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.742 -10.197 -7.824 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.066 -9.547 -9.435 1.00 0.00 H new ATOM 536 N TRP A 38 2.564 -4.079 -5.127 1.00 0.00 N ATOM 537 CA TRP A 38 1.811 -2.829 -5.116 1.00 0.00 C ATOM 538 C TRP A 38 2.283 -1.900 -6.229 1.00 0.00 C ATOM 539 O TRP A 38 3.284 -2.168 -6.893 1.00 0.00 O ATOM 540 CB TRP A 38 1.954 -2.136 -3.761 1.00 0.00 C ATOM 541 CG TRP A 38 3.377 -1.856 -3.383 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.117 -0.763 -3.732 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.231 -2.684 -2.586 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.380 -0.861 -3.200 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.475 -2.030 -2.492 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.065 -3.912 -1.941 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.545 -2.566 -1.779 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.127 -4.443 -1.235 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.354 -3.770 -1.158 1.00 0.00 C ATOM 0 H TRP A 38 3.490 -4.010 -5.549 1.00 0.00 H new ATOM 0 HA TRP A 38 0.760 -3.065 -5.286 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.400 -1.198 -3.781 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.498 -2.760 -2.992 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.762 0.058 -4.337 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.126 -0.175 -3.314 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.123 -4.437 -1.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.492 -2.050 -1.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.010 -5.393 -0.734 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.165 -4.211 -0.597 1.00 0.00 H new ATOM 560 N LYS A 39 1.557 -0.805 -6.427 1.00 0.00 N ATOM 561 CA LYS A 39 1.902 0.166 -7.459 1.00 0.00 C ATOM 562 C LYS A 39 2.181 1.535 -6.846 1.00 0.00 C ATOM 563 O LYS A 39 2.031 1.727 -5.640 1.00 0.00 O ATOM 564 CB LYS A 39 0.771 0.276 -8.484 1.00 0.00 C ATOM 565 CG LYS A 39 0.523 -1.009 -9.256 1.00 0.00 C ATOM 566 CD LYS A 39 -0.723 -0.909 -10.120 1.00 0.00 C ATOM 567 CE LYS A 39 -0.414 -0.282 -11.472 1.00 0.00 C ATOM 568 NZ LYS A 39 0.319 -1.222 -12.364 1.00 0.00 N ATOM 0 H LYS A 39 0.725 -0.568 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 39 2.806 -0.180 -7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.146 0.565 -7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.007 1.074 -9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.386 -1.229 -9.884 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.417 -1.839 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.146 -1.903 -10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.477 -0.314 -9.605 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.344 0.024 -11.952 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.181 0.620 -11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.289 -0.868 -13.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.308 -1.296 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.128 -2.160 -12.322 1.00 0.00 H new ATOM 582 N ALA A 40 2.586 2.482 -7.685 1.00 0.00 N ATOM 583 CA ALA A 40 2.882 3.834 -7.226 1.00 0.00 C ATOM 584 C ALA A 40 1.664 4.740 -7.366 1.00 0.00 C ATOM 585 O ALA A 40 0.962 4.725 -8.377 1.00 0.00 O ATOM 586 CB ALA A 40 4.061 4.407 -7.998 1.00 0.00 C ATOM 0 H ALA A 40 2.717 2.338 -8.686 1.00 0.00 H new ATOM 0 HA ALA A 40 3.144 3.783 -6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.271 5.417 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.938 3.779 -7.842 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.820 4.437 -9.061 1.00 0.00 H new ATOM 592 N PRO A 41 1.405 5.549 -6.328 1.00 0.00 N ATOM 593 CA PRO A 41 0.271 6.478 -6.312 1.00 0.00 C ATOM 594 C PRO A 41 0.452 7.632 -7.292 1.00 0.00 C ATOM 595 O PRO A 41 1.348 7.607 -8.136 1.00 0.00 O ATOM 596 CB PRO A 41 0.257 6.996 -4.872 1.00 0.00 C ATOM 597 CG PRO A 41 1.662 6.844 -4.401 1.00 0.00 C ATOM 598 CD PRO A 41 2.199 5.620 -5.090 1.00 0.00 C ATOM 0 HA PRO A 41 -0.657 5.993 -6.614 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.065 8.037 -4.829 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.433 6.423 -4.252 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.255 7.724 -4.651 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.700 6.731 -3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.264 5.712 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.071 4.726 -4.479 1.00 0.00 H new ATOM 606 N SER A 42 -0.402 8.643 -7.173 1.00 0.00 N ATOM 607 CA SER A 42 -0.338 9.805 -8.051 1.00 0.00 C ATOM 608 C SER A 42 0.494 10.918 -7.420 1.00 0.00 C ATOM 609 O SER A 42 0.095 11.515 -6.420 1.00 0.00 O ATOM 610 CB SER A 42 -1.746 10.318 -8.359 1.00 0.00 C ATOM 611 OG SER A 42 -1.739 11.189 -9.476 1.00 0.00 O ATOM 0 H SER A 42 -1.147 8.681 -6.477 1.00 0.00 H new ATOM 0 HA SER A 42 0.141 9.499 -8.981 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.408 9.475 -8.556 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.144 10.840 -7.489 1.00 0.00 H new ATOM 0 HG SER A 42 -2.651 11.501 -9.653 1.00 0.00 H new ATOM 617 N ASP A 43 1.652 11.190 -8.010 1.00 0.00 N ATOM 618 CA ASP A 43 2.541 12.231 -7.507 1.00 0.00 C ATOM 619 C ASP A 43 1.954 13.616 -7.760 1.00 0.00 C ATOM 620 O ASP A 43 2.045 14.147 -8.866 1.00 0.00 O ATOM 621 CB ASP A 43 3.917 12.119 -8.166 1.00 0.00 C ATOM 622 CG ASP A 43 3.882 12.466 -9.641 1.00 0.00 C ATOM 623 OD1 ASP A 43 2.976 11.973 -10.346 1.00 0.00 O ATOM 624 OD2 ASP A 43 4.761 13.230 -10.091 1.00 0.00 O ATOM 0 H ASP A 43 1.998 10.704 -8.838 1.00 0.00 H new ATOM 0 HA ASP A 43 2.649 12.093 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.616 12.782 -7.656 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.294 11.104 -8.043 1.00 0.00 H new ATOM 661 N LYS A 47 8.091 14.221 -6.004 1.00 0.00 N ATOM 662 CA LYS A 47 8.426 12.840 -6.329 1.00 0.00 C ATOM 663 C LYS A 47 8.574 12.003 -5.063 1.00 0.00 C ATOM 664 O LYS A 47 9.280 12.391 -4.131 1.00 0.00 O ATOM 665 CB LYS A 47 9.720 12.785 -7.144 1.00 0.00 C ATOM 666 CG LYS A 47 10.277 11.382 -7.307 1.00 0.00 C ATOM 667 CD LYS A 47 11.739 11.407 -7.723 1.00 0.00 C ATOM 668 CE LYS A 47 11.897 11.821 -9.177 1.00 0.00 C ATOM 669 NZ LYS A 47 13.329 11.953 -9.564 1.00 0.00 N ATOM 0 HA LYS A 47 7.612 12.426 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.537 13.211 -8.130 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.470 13.411 -6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.174 10.837 -6.368 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.694 10.843 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.288 12.099 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.178 10.420 -7.575 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.414 11.084 -9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.387 12.770 -9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.394 12.237 -10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.784 12.674 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.810 11.041 -9.431 1.00 0.00 H new ATOM 683 N ILE A 48 7.907 10.854 -5.036 1.00 0.00 N ATOM 684 CA ILE A 48 7.967 9.963 -3.885 1.00 0.00 C ATOM 685 C ILE A 48 9.337 9.302 -3.772 1.00 0.00 C ATOM 686 O ILE A 48 9.712 8.483 -4.611 1.00 0.00 O ATOM 687 CB ILE A 48 6.887 8.868 -3.963 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.492 9.495 -3.936 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.051 7.879 -2.818 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.442 8.663 -4.638 1.00 0.00 C ATOM 0 H ILE A 48 7.319 10.519 -5.799 1.00 0.00 H new ATOM 0 HA ILE A 48 7.788 10.577 -3.002 1.00 0.00 H new ATOM 0 HB ILE A 48 7.005 8.329 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.191 9.647 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.536 10.479 -4.402 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.280 7.111 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.034 7.412 -2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.956 8.404 -1.867 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.478 9.169 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.720 8.533 -5.684 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.370 7.687 -4.158 1.00 0.00 H new ATOM 702 N GLN A 49 10.079 9.664 -2.730 1.00 0.00 N ATOM 703 CA GLN A 49 11.407 9.105 -2.508 1.00 0.00 C ATOM 704 C GLN A 49 11.378 7.582 -2.592 1.00 0.00 C ATOM 705 O GLN A 49 11.904 6.993 -3.535 1.00 0.00 O ATOM 706 CB GLN A 49 11.946 9.542 -1.145 1.00 0.00 C ATOM 707 CG GLN A 49 11.958 11.049 -0.950 1.00 0.00 C ATOM 708 CD GLN A 49 12.477 11.458 0.415 1.00 0.00 C ATOM 709 OE1 GLN A 49 12.448 10.673 1.363 1.00 0.00 O ATOM 710 NE2 GLN A 49 12.955 12.692 0.521 1.00 0.00 N ATOM 0 H GLN A 49 9.783 10.341 -2.027 1.00 0.00 H new ATOM 0 HA GLN A 49 12.067 9.481 -3.290 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.340 9.088 -0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 49 12.960 9.161 -1.025 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.577 11.506 -1.722 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.948 11.436 -1.081 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.959 13.309 -0.291 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.318 13.023 1.415 1.00 0.00 H new ATOM 719 N ASN A 50 10.760 6.951 -1.599 1.00 0.00 N ATOM 720 CA ASN A 50 10.663 5.496 -1.561 1.00 0.00 C ATOM 721 C ASN A 50 9.341 5.055 -0.940 1.00 0.00 C ATOM 722 O ASN A 50 8.512 5.884 -0.564 1.00 0.00 O ATOM 723 CB ASN A 50 11.833 4.908 -0.769 1.00 0.00 C ATOM 724 CG ASN A 50 11.659 5.073 0.728 1.00 0.00 C ATOM 725 OD1 ASN A 50 10.931 4.314 1.368 1.00 0.00 O ATOM 726 ND2 ASN A 50 12.328 6.071 1.295 1.00 0.00 N ATOM 0 H ASN A 50 10.319 7.424 -0.810 1.00 0.00 H new ATOM 0 HA ASN A 50 10.703 5.126 -2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.933 3.849 -1.006 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.759 5.392 -1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.249 6.232 2.299 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.920 6.676 0.726 1.00 0.00 H new ATOM 733 N PHE A 51 9.151 3.744 -0.837 1.00 0.00 N ATOM 734 CA PHE A 51 7.929 3.192 -0.262 1.00 0.00 C ATOM 735 C PHE A 51 8.190 2.628 1.131 1.00 0.00 C ATOM 736 O PHE A 51 9.126 1.856 1.336 1.00 0.00 O ATOM 737 CB PHE A 51 7.363 2.098 -1.170 1.00 0.00 C ATOM 738 CG PHE A 51 6.760 2.625 -2.440 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.627 3.421 -2.407 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.328 2.325 -3.668 1.00 0.00 C ATOM 741 CE1 PHE A 51 5.069 3.906 -3.575 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.775 2.809 -4.840 1.00 0.00 C ATOM 743 CZ PHE A 51 5.645 3.601 -4.792 1.00 0.00 C ATOM 0 H PHE A 51 9.827 3.044 -1.144 1.00 0.00 H new ATOM 0 HA PHE A 51 7.200 3.998 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.159 1.396 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.605 1.539 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.174 3.666 -1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.212 1.706 -3.710 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.183 4.523 -3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.226 2.568 -5.791 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.212 3.981 -5.705 1.00 0.00 H new ATOM 753 N VAL A 52 7.355 3.022 2.088 1.00 0.00 N ATOM 754 CA VAL A 52 7.494 2.556 3.463 1.00 0.00 C ATOM 755 C VAL A 52 6.405 1.549 3.814 1.00 0.00 C ATOM 756 O VAL A 52 5.237 1.908 3.968 1.00 0.00 O ATOM 757 CB VAL A 52 7.435 3.728 4.461 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.680 3.235 5.879 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.442 4.802 4.080 1.00 0.00 C ATOM 0 H VAL A 52 6.576 3.662 1.936 1.00 0.00 H new ATOM 0 HA VAL A 52 8.469 2.074 3.537 1.00 0.00 H new ATOM 0 HB VAL A 52 6.438 4.166 4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.635 4.077 6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.917 2.504 6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.664 2.770 5.938 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.387 5.623 4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.446 4.379 4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.215 5.176 3.081 1.00 0.00 H new ATOM 769 N LEU A 53 6.795 0.285 3.941 1.00 0.00 N ATOM 770 CA LEU A 53 5.852 -0.777 4.275 1.00 0.00 C ATOM 771 C LEU A 53 5.915 -1.112 5.762 1.00 0.00 C ATOM 772 O LEU A 53 6.980 -1.056 6.375 1.00 0.00 O ATOM 773 CB LEU A 53 6.147 -2.028 3.445 1.00 0.00 C ATOM 774 CG LEU A 53 5.268 -3.246 3.732 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.872 -3.042 3.163 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.900 -4.506 3.160 1.00 0.00 C ATOM 0 H LEU A 53 7.758 -0.029 3.818 1.00 0.00 H new ATOM 0 HA LEU A 53 4.847 -0.424 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.046 -1.772 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.188 -2.310 3.606 1.00 0.00 H new ATOM 0 HG LEU A 53 5.184 -3.364 4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.260 -3.919 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.418 -2.163 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.936 -2.898 2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.261 -5.363 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.014 -4.398 2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.878 -4.661 3.615 1.00 0.00 H new ATOM 788 N GLU A 54 4.767 -1.463 6.333 1.00 0.00 N ATOM 789 CA GLU A 54 4.693 -1.810 7.748 1.00 0.00 C ATOM 790 C GLU A 54 3.755 -2.993 7.970 1.00 0.00 C ATOM 791 O GLU A 54 2.824 -3.214 7.196 1.00 0.00 O ATOM 792 CB GLU A 54 4.217 -0.607 8.565 1.00 0.00 C ATOM 793 CG GLU A 54 5.329 0.364 8.924 1.00 0.00 C ATOM 794 CD GLU A 54 4.804 1.667 9.494 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.878 1.618 10.330 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.319 2.736 9.105 1.00 0.00 O ATOM 0 H GLU A 54 3.876 -1.515 5.838 1.00 0.00 H new ATOM 0 HA GLU A 54 5.692 -2.094 8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.451 -0.076 8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.748 -0.964 9.482 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.994 -0.104 9.650 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.924 0.574 8.035 1.00 0.00 H new ATOM 803 N TRP A 55 4.009 -3.749 9.031 1.00 0.00 N ATOM 804 CA TRP A 55 3.189 -4.911 9.356 1.00 0.00 C ATOM 805 C TRP A 55 3.255 -5.225 10.846 1.00 0.00 C ATOM 806 O TRP A 55 4.171 -4.787 11.542 1.00 0.00 O ATOM 807 CB TRP A 55 3.645 -6.125 8.545 1.00 0.00 C ATOM 808 CG TRP A 55 4.930 -6.719 9.037 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.016 -6.042 9.515 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.263 -8.110 9.098 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.004 -6.929 9.869 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.567 -8.203 9.624 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.587 -9.286 8.762 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.205 -9.426 9.818 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.222 -10.498 8.955 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.519 -10.561 9.480 1.00 0.00 C ATOM 0 H TRP A 55 4.776 -3.579 9.681 1.00 0.00 H new ATOM 0 HA TRP A 55 2.156 -4.679 9.099 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.866 -6.887 8.575 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.764 -5.832 7.502 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.088 -4.968 9.602 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.915 -6.679 10.252 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.586 -9.248 8.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.206 -9.477 10.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.709 -11.413 8.697 1.00 0.00 H new ATOM 0 HH2 TRP A 55 6.987 -11.524 9.621 1.00 0.00 H new ATOM 827 N ASP A 56 2.278 -5.985 11.330 1.00 0.00 N ATOM 828 CA ASP A 56 2.227 -6.359 12.739 1.00 0.00 C ATOM 829 C ASP A 56 2.975 -7.665 12.982 1.00 0.00 C ATOM 830 O ASP A 56 2.561 -8.485 13.801 1.00 0.00 O ATOM 831 CB ASP A 56 0.775 -6.494 13.200 1.00 0.00 C ATOM 832 CG ASP A 56 -0.062 -5.281 12.843 1.00 0.00 C ATOM 833 OD1 ASP A 56 -0.202 -4.990 11.637 1.00 0.00 O ATOM 834 OD2 ASP A 56 -0.576 -4.623 13.771 1.00 0.00 O ATOM 0 H ASP A 56 1.511 -6.354 10.768 1.00 0.00 H new ATOM 0 HA ASP A 56 2.712 -5.572 13.317 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.334 -7.382 12.747 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.752 -6.642 14.280 1.00 0.00 H new ATOM 839 N GLU A 57 4.078 -7.852 12.264 1.00 0.00 N ATOM 840 CA GLU A 57 4.882 -9.061 12.401 1.00 0.00 C ATOM 841 C GLU A 57 4.000 -10.272 12.688 1.00 0.00 C ATOM 842 O GLU A 57 4.382 -11.168 13.440 1.00 0.00 O ATOM 843 CB GLU A 57 5.912 -8.890 13.520 1.00 0.00 C ATOM 844 CG GLU A 57 7.187 -8.195 13.073 1.00 0.00 C ATOM 845 CD GLU A 57 8.222 -8.108 14.177 1.00 0.00 C ATOM 846 OE1 GLU A 57 7.875 -7.633 15.279 1.00 0.00 O ATOM 847 OE2 GLU A 57 9.380 -8.513 13.940 1.00 0.00 O ATOM 0 H GLU A 57 4.435 -7.183 11.582 1.00 0.00 H new ATOM 0 HA GLU A 57 5.403 -9.229 11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.462 -8.319 14.332 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.165 -9.871 13.923 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.611 -8.732 12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.946 -7.190 12.726 1.00 0.00 H new ATOM 854 N GLY A 58 2.816 -10.291 12.083 1.00 0.00 N ATOM 855 CA GLY A 58 1.896 -11.395 12.286 1.00 0.00 C ATOM 856 C GLY A 58 1.813 -11.821 13.739 1.00 0.00 C ATOM 857 O GLY A 58 1.911 -13.007 14.053 1.00 0.00 O ATOM 0 H GLY A 58 2.478 -9.561 11.456 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.904 -11.106 11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.212 -12.244 11.679 1.00 0.00 H new ATOM 861 N LYS A 59 1.634 -10.851 14.629 1.00 0.00 N ATOM 862 CA LYS A 59 1.538 -11.130 16.057 1.00 0.00 C ATOM 863 C LYS A 59 0.081 -11.154 16.510 1.00 0.00 C ATOM 864 O LYS A 59 -0.371 -12.118 17.126 1.00 0.00 O ATOM 865 CB LYS A 59 2.314 -10.080 16.856 1.00 0.00 C ATOM 866 CG LYS A 59 3.821 -10.243 16.771 1.00 0.00 C ATOM 867 CD LYS A 59 4.532 -9.420 17.832 1.00 0.00 C ATOM 868 CE LYS A 59 6.006 -9.784 17.925 1.00 0.00 C ATOM 869 NZ LYS A 59 6.807 -8.697 18.554 1.00 0.00 N ATOM 0 H LYS A 59 1.552 -9.864 14.386 1.00 0.00 H new ATOM 0 HA LYS A 59 1.974 -12.112 16.240 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.043 -9.088 16.495 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.010 -10.133 17.901 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.081 -11.295 16.890 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.165 -9.939 15.782 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.432 -8.360 17.599 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.055 -9.580 18.799 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.118 -10.700 18.505 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.393 -9.989 16.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.806 -8.983 18.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.721 -7.830 17.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.454 -8.518 19.516 1.00 0.00 H new ATOM 883 N GLY A 60 -0.649 -10.087 16.199 1.00 0.00 N ATOM 884 CA GLY A 60 -2.047 -10.008 16.580 1.00 0.00 C ATOM 885 C GLY A 60 -2.268 -9.118 17.788 1.00 0.00 C ATOM 886 O GLY A 60 -3.049 -9.452 18.678 1.00 0.00 O ATOM 0 H GLY A 60 -0.297 -9.276 15.690 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.629 -9.627 15.740 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.419 -11.009 16.797 1.00 0.00 H new ATOM 890 N ASN A 61 -1.578 -7.983 17.819 1.00 0.00 N ATOM 891 CA ASN A 61 -1.702 -7.043 18.927 1.00 0.00 C ATOM 892 C ASN A 61 -2.186 -5.682 18.435 1.00 0.00 C ATOM 893 O ASN A 61 -2.989 -5.023 19.094 1.00 0.00 O ATOM 894 CB ASN A 61 -0.360 -6.890 19.646 1.00 0.00 C ATOM 895 CG ASN A 61 0.592 -5.972 18.903 1.00 0.00 C ATOM 896 OD1 ASN A 61 0.495 -4.749 19.002 1.00 0.00 O ATOM 897 ND2 ASN A 61 1.518 -6.560 18.155 1.00 0.00 N ATOM 0 H ASN A 61 -0.927 -7.692 17.090 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.438 -7.440 19.626 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.531 -6.498 20.649 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.101 -7.871 19.762 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.187 -5.994 17.633 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.561 -7.578 18.103 1.00 0.00 H new ATOM 904 N GLY A 62 -1.691 -5.269 17.273 1.00 0.00 N ATOM 905 CA GLY A 62 -2.085 -3.990 16.712 1.00 0.00 C ATOM 906 C GLY A 62 -0.935 -3.004 16.653 1.00 0.00 C ATOM 907 O GLY A 62 -1.146 -1.792 16.696 1.00 0.00 O ATOM 0 H GLY A 62 -1.024 -5.797 16.710 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.480 -4.143 15.708 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.892 -3.567 17.311 1.00 0.00 H new ATOM 911 N GLU A 63 0.284 -3.524 16.556 1.00 0.00 N ATOM 912 CA GLU A 63 1.472 -2.680 16.494 1.00 0.00 C ATOM 913 C GLU A 63 2.201 -2.864 15.166 1.00 0.00 C ATOM 914 O GLU A 63 2.822 -3.899 14.924 1.00 0.00 O ATOM 915 CB GLU A 63 2.415 -3.002 17.655 1.00 0.00 C ATOM 916 CG GLU A 63 1.991 -2.379 18.974 1.00 0.00 C ATOM 917 CD GLU A 63 2.545 -0.980 19.163 1.00 0.00 C ATOM 918 OE1 GLU A 63 2.649 -0.244 18.159 1.00 0.00 O ATOM 919 OE2 GLU A 63 2.874 -0.621 20.312 1.00 0.00 O ATOM 0 H GLU A 63 0.475 -4.525 16.519 1.00 0.00 H new ATOM 0 HA GLU A 63 1.153 -1.641 16.573 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.473 -4.084 17.776 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.418 -2.655 17.405 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.903 -2.344 19.022 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.326 -3.013 19.795 1.00 0.00 H new ATOM 926 N PHE A 64 2.120 -1.852 14.309 1.00 0.00 N ATOM 927 CA PHE A 64 2.771 -1.901 13.004 1.00 0.00 C ATOM 928 C PHE A 64 4.198 -1.368 13.088 1.00 0.00 C ATOM 929 O PHE A 64 4.453 -0.341 13.718 1.00 0.00 O ATOM 930 CB PHE A 64 1.971 -1.092 11.981 1.00 0.00 C ATOM 931 CG PHE A 64 0.684 -1.748 11.572 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.395 -1.789 12.440 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.552 -2.324 10.318 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.581 -2.393 12.067 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.631 -2.928 9.939 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.699 -2.962 10.814 1.00 0.00 C ATOM 0 H PHE A 64 1.610 -0.988 14.494 1.00 0.00 H new ATOM 0 HA PHE A 64 2.809 -2.942 12.683 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.752 -0.109 12.398 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.586 -0.932 11.095 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.308 -1.344 13.420 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.384 -2.300 9.629 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.414 -2.420 12.754 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.721 -3.373 8.959 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.625 -3.433 10.519 1.00 0.00 H new ATOM 946 N CYS A 65 5.125 -2.074 12.449 1.00 0.00 N ATOM 947 CA CYS A 65 6.527 -1.674 12.452 1.00 0.00 C ATOM 948 C CYS A 65 7.097 -1.677 11.037 1.00 0.00 C ATOM 949 O CYS A 65 6.598 -2.382 10.160 1.00 0.00 O ATOM 950 CB CYS A 65 7.344 -2.608 13.346 1.00 0.00 C ATOM 951 SG CYS A 65 7.230 -2.228 15.110 1.00 0.00 S ATOM 0 H CYS A 65 4.930 -2.926 11.923 1.00 0.00 H new ATOM 0 HA CYS A 65 6.588 -0.660 12.847 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.010 -3.633 13.184 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.390 -2.562 13.042 1.00 0.00 H new ATOM 0 HG CYS A 65 7.952 -3.073 15.784 1.00 0.00 H new ATOM 957 N GLN A 66 8.142 -0.885 10.823 1.00 0.00 N ATOM 958 CA GLN A 66 8.777 -0.796 9.514 1.00 0.00 C ATOM 959 C GLN A 66 9.266 -2.165 9.051 1.00 0.00 C ATOM 960 O GLN A 66 10.225 -2.710 9.599 1.00 0.00 O ATOM 961 CB GLN A 66 9.947 0.188 9.557 1.00 0.00 C ATOM 962 CG GLN A 66 10.359 0.704 8.187 1.00 0.00 C ATOM 963 CD GLN A 66 11.317 1.876 8.269 1.00 0.00 C ATOM 964 OE1 GLN A 66 12.421 1.755 8.800 1.00 0.00 O ATOM 965 NE2 GLN A 66 10.899 3.021 7.742 1.00 0.00 N ATOM 0 H GLN A 66 8.567 -0.296 11.539 1.00 0.00 H new ATOM 0 HA GLN A 66 8.034 -0.436 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.676 1.034 10.188 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.803 -0.298 10.025 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.827 -0.104 7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.469 1.005 7.634 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.976 3.077 7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.501 3.844 7.768 1.00 0.00 H new ATOM 974 N CYS A 67 8.600 -2.715 8.042 1.00 0.00 N ATOM 975 CA CYS A 67 8.966 -4.022 7.506 1.00 0.00 C ATOM 976 C CYS A 67 9.965 -3.880 6.362 1.00 0.00 C ATOM 977 O CYS A 67 11.042 -4.475 6.387 1.00 0.00 O ATOM 978 CB CYS A 67 7.720 -4.765 7.023 1.00 0.00 C ATOM 979 SG CYS A 67 7.936 -6.555 6.885 1.00 0.00 S ATOM 0 H CYS A 67 7.804 -2.277 7.578 1.00 0.00 H new ATOM 0 HA CYS A 67 9.436 -4.597 8.304 1.00 0.00 H new ATOM 0 HB2 CYS A 67 6.899 -4.561 7.710 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.428 -4.369 6.050 1.00 0.00 H new ATOM 0 HG CYS A 67 7.415 -7.136 7.925 1.00 0.00 H new ATOM 985 N TYR A 68 9.598 -3.090 5.359 1.00 0.00 N ATOM 986 CA TYR A 68 10.460 -2.873 4.203 1.00 0.00 C ATOM 987 C TYR A 68 10.387 -1.424 3.733 1.00 0.00 C ATOM 988 O TYR A 68 9.309 -0.832 3.676 1.00 0.00 O ATOM 989 CB TYR A 68 10.063 -3.812 3.062 1.00 0.00 C ATOM 990 CG TYR A 68 10.885 -3.621 1.807 1.00 0.00 C ATOM 991 CD1 TYR A 68 10.578 -2.617 0.898 1.00 0.00 C ATOM 992 CD2 TYR A 68 11.970 -4.444 1.533 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.326 -2.440 -0.250 1.00 0.00 C ATOM 994 CE2 TYR A 68 12.725 -4.273 0.388 1.00 0.00 C ATOM 995 CZ TYR A 68 12.398 -3.270 -0.501 1.00 0.00 C ATOM 996 OH TYR A 68 13.146 -3.096 -1.642 1.00 0.00 O ATOM 0 H TYR A 68 8.710 -2.590 5.323 1.00 0.00 H new ATOM 0 HA TYR A 68 11.486 -3.087 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.165 -4.843 3.399 1.00 0.00 H new ATOM 0 HB3 TYR A 68 9.011 -3.657 2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.740 -1.963 1.092 1.00 0.00 H new ATOM 0 HD2 TYR A 68 12.228 -5.231 2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 68 11.072 -1.655 -0.947 1.00 0.00 H new ATOM 0 HE2 TYR A 68 13.566 -4.921 0.190 1.00 0.00 H new ATOM 0 HH TYR A 68 13.864 -3.762 -1.667 1.00 0.00 H new ATOM 1006 N MET A 69 11.541 -0.859 3.396 1.00 0.00 N ATOM 1007 CA MET A 69 11.609 0.521 2.928 1.00 0.00 C ATOM 1008 C MET A 69 12.568 0.649 1.749 1.00 0.00 C ATOM 1009 O MET A 69 13.743 0.298 1.851 1.00 0.00 O ATOM 1010 CB MET A 69 12.052 1.445 4.064 1.00 0.00 C ATOM 1011 CG MET A 69 12.352 2.865 3.610 1.00 0.00 C ATOM 1012 SD MET A 69 13.133 3.856 4.898 1.00 0.00 S ATOM 1013 CE MET A 69 12.595 5.500 4.434 1.00 0.00 C ATOM 0 H MET A 69 12.442 -1.335 3.438 1.00 0.00 H new ATOM 0 HA MET A 69 10.613 0.816 2.596 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.272 1.473 4.824 1.00 0.00 H new ATOM 0 HB3 MET A 69 12.942 1.027 4.535 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.003 2.833 2.737 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.425 3.346 3.299 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.410 6.089 5.332 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.370 5.982 3.838 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.678 5.431 3.850 1.00 0.00 H new ATOM 1023 N GLY A 70 12.058 1.154 0.630 1.00 0.00 N ATOM 1024 CA GLY A 70 12.884 1.319 -0.553 1.00 0.00 C ATOM 1025 C GLY A 70 12.067 1.632 -1.791 1.00 0.00 C ATOM 1026 O GLY A 70 10.837 1.644 -1.745 1.00 0.00 O ATOM 0 H GLY A 70 11.089 1.452 0.521 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.602 2.122 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.459 0.408 -0.721 1.00 0.00 H new ATOM 1030 N SER A 71 12.752 1.889 -2.900 1.00 0.00 N ATOM 1031 CA SER A 71 12.083 2.210 -4.155 1.00 0.00 C ATOM 1032 C SER A 71 11.249 1.030 -4.644 1.00 0.00 C ATOM 1033 O SER A 71 10.077 1.184 -4.987 1.00 0.00 O ATOM 1034 CB SER A 71 13.109 2.600 -5.221 1.00 0.00 C ATOM 1035 OG SER A 71 12.474 3.122 -6.375 1.00 0.00 O ATOM 0 H SER A 71 13.770 1.881 -2.955 1.00 0.00 H new ATOM 0 HA SER A 71 11.417 3.054 -3.976 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.797 3.341 -4.814 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.704 1.728 -5.493 1.00 0.00 H new ATOM 0 HG SER A 71 13.152 3.365 -7.040 1.00 0.00 H new ATOM 1041 N GLN A 72 11.863 -0.149 -4.672 1.00 0.00 N ATOM 1042 CA GLN A 72 11.179 -1.356 -5.119 1.00 0.00 C ATOM 1043 C GLN A 72 9.717 -1.346 -4.683 1.00 0.00 C ATOM 1044 O GLN A 72 9.362 -0.732 -3.676 1.00 0.00 O ATOM 1045 CB GLN A 72 11.879 -2.599 -4.567 1.00 0.00 C ATOM 1046 CG GLN A 72 13.229 -2.872 -5.210 1.00 0.00 C ATOM 1047 CD GLN A 72 14.371 -2.194 -4.478 1.00 0.00 C ATOM 1048 OE1 GLN A 72 14.429 -0.967 -4.396 1.00 0.00 O ATOM 1049 NE2 GLN A 72 15.287 -2.992 -3.942 1.00 0.00 N ATOM 0 H GLN A 72 12.833 -0.293 -4.390 1.00 0.00 H new ATOM 0 HA GLN A 72 11.215 -1.381 -6.208 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.015 -2.482 -3.492 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.234 -3.465 -4.714 1.00 0.00 H new ATOM 0 HG2 GLN A 72 13.405 -3.947 -5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.211 -2.529 -6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.199 -4.004 -4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.079 -2.593 -3.438 1.00 0.00 H new ATOM 1058 N LYS A 73 8.872 -2.029 -5.448 1.00 0.00 N ATOM 1059 CA LYS A 73 7.448 -2.100 -5.141 1.00 0.00 C ATOM 1060 C LYS A 73 7.032 -3.532 -4.819 1.00 0.00 C ATOM 1061 O LYS A 73 5.843 -3.848 -4.779 1.00 0.00 O ATOM 1062 CB LYS A 73 6.625 -1.571 -6.318 1.00 0.00 C ATOM 1063 CG LYS A 73 6.855 -0.098 -6.607 1.00 0.00 C ATOM 1064 CD LYS A 73 5.986 0.387 -7.756 1.00 0.00 C ATOM 1065 CE LYS A 73 6.690 0.225 -9.094 1.00 0.00 C ATOM 1066 NZ LYS A 73 7.954 1.011 -9.155 1.00 0.00 N ATOM 0 H LYS A 73 9.149 -2.541 -6.285 1.00 0.00 H new ATOM 0 HA LYS A 73 7.259 -1.479 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.867 -2.150 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.567 -1.731 -6.112 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.638 0.487 -5.713 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.905 0.067 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.050 -0.171 -7.766 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.730 1.435 -7.603 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.909 -0.829 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.024 0.545 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.961 1.590 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.018 1.631 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.766 0.362 -9.167 1.00 0.00 H new ATOM 1080 N GLN A 74 8.019 -4.393 -4.589 1.00 0.00 N ATOM 1081 CA GLN A 74 7.753 -5.790 -4.269 1.00 0.00 C ATOM 1082 C GLN A 74 8.706 -6.292 -3.188 1.00 0.00 C ATOM 1083 O GLN A 74 9.918 -6.098 -3.277 1.00 0.00 O ATOM 1084 CB GLN A 74 7.884 -6.656 -5.523 1.00 0.00 C ATOM 1085 CG GLN A 74 7.949 -8.146 -5.230 1.00 0.00 C ATOM 1086 CD GLN A 74 8.394 -8.958 -6.430 1.00 0.00 C ATOM 1087 OE1 GLN A 74 9.517 -9.462 -6.471 1.00 0.00 O ATOM 1088 NE2 GLN A 74 7.514 -9.090 -7.415 1.00 0.00 N ATOM 0 H GLN A 74 9.009 -4.147 -4.618 1.00 0.00 H new ATOM 0 HA GLN A 74 6.733 -5.862 -3.891 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.036 -6.460 -6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.782 -6.361 -6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.637 -8.320 -4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.967 -8.492 -4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 74 6.594 -8.655 -7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 74 7.757 -9.626 -8.248 1.00 0.00 H new ATOM 1097 N PHE A 75 8.149 -6.937 -2.169 1.00 0.00 N ATOM 1098 CA PHE A 75 8.948 -7.466 -1.070 1.00 0.00 C ATOM 1099 C PHE A 75 8.378 -8.790 -0.570 1.00 0.00 C ATOM 1100 O PHE A 75 7.192 -8.888 -0.254 1.00 0.00 O ATOM 1101 CB PHE A 75 9.007 -6.456 0.078 1.00 0.00 C ATOM 1102 CG PHE A 75 9.608 -7.013 1.336 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.894 -7.531 1.335 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.889 -7.019 2.520 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.449 -8.045 2.492 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.439 -7.531 3.680 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.722 -8.044 3.666 1.00 0.00 C ATOM 0 H PHE A 75 7.147 -7.106 -2.081 1.00 0.00 H new ATOM 0 HA PHE A 75 9.958 -7.643 -1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.588 -5.590 -0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.999 -6.102 0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.468 -7.533 0.420 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.886 -6.619 2.537 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.451 -8.447 2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.867 -7.530 4.596 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.155 -8.443 4.571 1.00 0.00 H new ATOM 1117 N LYS A 76 9.230 -9.806 -0.501 1.00 0.00 N ATOM 1118 CA LYS A 76 8.814 -11.125 -0.038 1.00 0.00 C ATOM 1119 C LYS A 76 9.360 -11.410 1.357 1.00 0.00 C ATOM 1120 O LYS A 76 10.572 -11.510 1.550 1.00 0.00 O ATOM 1121 CB LYS A 76 9.289 -12.204 -1.014 1.00 0.00 C ATOM 1122 CG LYS A 76 9.051 -13.620 -0.518 1.00 0.00 C ATOM 1123 CD LYS A 76 9.971 -14.613 -1.208 1.00 0.00 C ATOM 1124 CE LYS A 76 9.328 -15.988 -1.311 1.00 0.00 C ATOM 1125 NZ LYS A 76 8.523 -16.132 -2.555 1.00 0.00 N ATOM 0 H LYS A 76 10.214 -9.742 -0.760 1.00 0.00 H new ATOM 0 HA LYS A 76 7.725 -11.139 0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.777 -12.071 -1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.354 -12.068 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.212 -13.661 0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.013 -13.900 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.218 -14.250 -2.206 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.907 -14.688 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.103 -16.754 -1.289 1.00 0.00 H new ATOM 0 HE3 LYS A 76 8.689 -16.156 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 8.157 -17.103 -2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.727 -15.463 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.122 -15.930 -3.381 1.00 0.00 H new ATOM 1139 N ILE A 77 8.460 -11.542 2.325 1.00 0.00 N ATOM 1140 CA ILE A 77 8.853 -11.819 3.701 1.00 0.00 C ATOM 1141 C ILE A 77 9.047 -13.314 3.927 1.00 0.00 C ATOM 1142 O ILE A 77 8.196 -14.125 3.560 1.00 0.00 O ATOM 1143 CB ILE A 77 7.808 -11.291 4.702 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.732 -9.764 4.636 1.00 0.00 C ATOM 1145 CG2 ILE A 77 8.146 -11.750 6.112 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.369 -9.211 4.989 1.00 0.00 C ATOM 0 H ILE A 77 7.453 -11.462 2.182 1.00 0.00 H new ATOM 0 HA ILE A 77 9.798 -11.303 3.869 1.00 0.00 H new ATOM 0 HB ILE A 77 6.832 -11.696 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.473 -9.342 5.314 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.998 -9.438 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.398 -11.369 6.808 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.153 -12.839 6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.129 -11.371 6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.389 -8.123 4.921 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.626 -9.604 4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.109 -9.506 6.005 1.00 0.00 H new ATOM 1158 N THR A 78 10.173 -13.674 4.535 1.00 0.00 N ATOM 1159 CA THR A 78 10.480 -15.071 4.811 1.00 0.00 C ATOM 1160 C THR A 78 10.555 -15.332 6.312 1.00 0.00 C ATOM 1161 O THR A 78 10.381 -14.420 7.120 1.00 0.00 O ATOM 1162 CB THR A 78 11.812 -15.493 4.162 1.00 0.00 C ATOM 1163 OG1 THR A 78 12.858 -14.602 4.566 1.00 0.00 O ATOM 1164 CG2 THR A 78 11.697 -15.495 2.645 1.00 0.00 C ATOM 0 H THR A 78 10.888 -13.016 4.846 1.00 0.00 H new ATOM 0 HA THR A 78 9.671 -15.662 4.382 1.00 0.00 H new ATOM 0 HB THR A 78 12.049 -16.504 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.702 -14.878 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.649 -15.796 2.208 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.920 -16.196 2.340 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.439 -14.494 2.298 1.00 0.00 H new ATOM 1172 N LYS A 79 10.815 -16.582 6.678 1.00 0.00 N ATOM 1173 CA LYS A 79 10.914 -16.963 8.082 1.00 0.00 C ATOM 1174 C LYS A 79 9.565 -16.828 8.780 1.00 0.00 C ATOM 1175 O LYS A 79 9.496 -16.461 9.954 1.00 0.00 O ATOM 1176 CB LYS A 79 11.958 -16.099 8.794 1.00 0.00 C ATOM 1177 CG LYS A 79 13.273 -15.991 8.042 1.00 0.00 C ATOM 1178 CD LYS A 79 14.195 -17.155 8.362 1.00 0.00 C ATOM 1179 CE LYS A 79 15.059 -16.864 9.580 1.00 0.00 C ATOM 1180 NZ LYS A 79 14.288 -16.985 10.848 1.00 0.00 N ATOM 0 H LYS A 79 10.961 -17.349 6.022 1.00 0.00 H new ATOM 0 HA LYS A 79 11.223 -18.007 8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.550 -15.099 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.148 -16.515 9.783 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.079 -15.963 6.970 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.765 -15.054 8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.602 -18.052 8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.833 -17.362 7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.902 -17.554 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.472 -15.858 9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.933 -17.235 11.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 13.826 -16.078 11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 13.566 -17.726 10.746 1.00 0.00 H new ATOM 1194 N LEU A 80 8.495 -17.127 8.052 1.00 0.00 N ATOM 1195 CA LEU A 80 7.147 -17.040 8.601 1.00 0.00 C ATOM 1196 C LEU A 80 6.606 -18.426 8.940 1.00 0.00 C ATOM 1197 O LEU A 80 7.306 -19.428 8.797 1.00 0.00 O ATOM 1198 CB LEU A 80 6.213 -16.345 7.609 1.00 0.00 C ATOM 1199 CG LEU A 80 6.558 -14.895 7.267 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.606 -14.355 6.210 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.517 -14.028 8.517 1.00 0.00 C ATOM 0 H LEU A 80 8.535 -17.432 7.079 1.00 0.00 H new ATOM 0 HA LEU A 80 7.193 -16.453 9.518 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.202 -16.923 6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.201 -16.371 8.013 1.00 0.00 H new ATOM 0 HG LEU A 80 7.570 -14.868 6.863 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.867 -13.322 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.685 -14.960 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.584 -14.396 6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.765 -13.000 8.255 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.517 -14.061 8.950 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.239 -14.402 9.243 1.00 0.00 H new ATOM 1213 N SER A 81 5.355 -18.475 9.387 1.00 0.00 N ATOM 1214 CA SER A 81 4.721 -19.738 9.747 1.00 0.00 C ATOM 1215 C SER A 81 3.297 -19.805 9.203 1.00 0.00 C ATOM 1216 O SER A 81 2.633 -18.787 9.004 1.00 0.00 O ATOM 1217 CB SER A 81 4.707 -19.911 11.267 1.00 0.00 C ATOM 1218 OG SER A 81 6.019 -20.097 11.771 1.00 0.00 O ATOM 0 H SER A 81 4.761 -17.655 9.508 1.00 0.00 H new ATOM 0 HA SER A 81 5.300 -20.547 9.302 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.256 -19.034 11.732 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.087 -20.767 11.533 1.00 0.00 H new ATOM 0 HG SER A 81 5.983 -20.204 12.745 1.00 0.00 H new ATOM 1224 N PRO A 82 2.816 -21.032 8.957 1.00 0.00 N ATOM 1225 CA PRO A 82 1.466 -21.263 8.434 1.00 0.00 C ATOM 1226 C PRO A 82 0.384 -20.937 9.457 1.00 0.00 C ATOM 1227 O PRO A 82 0.586 -21.097 10.660 1.00 0.00 O ATOM 1228 CB PRO A 82 1.463 -22.759 8.109 1.00 0.00 C ATOM 1229 CG PRO A 82 2.493 -23.345 9.011 1.00 0.00 C ATOM 1230 CD PRO A 82 3.552 -22.289 9.171 1.00 0.00 C ATOM 0 HA PRO A 82 1.246 -20.626 7.577 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.483 -23.201 8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.707 -22.937 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 82 2.061 -23.613 9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.912 -24.257 8.585 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.008 -22.324 10.160 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.356 -22.413 8.445 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.766 -20.480 8.971 1.00 0.00 N ATOM 1239 CA ALA A 83 -1.881 -20.135 9.844 1.00 0.00 C ATOM 1240 C ALA A 83 -1.516 -18.979 10.769 1.00 0.00 C ATOM 1241 O ALA A 83 -1.763 -19.033 11.973 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.310 -21.348 10.657 1.00 0.00 C ATOM 0 H ALA A 83 -0.949 -20.340 7.977 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.715 -19.817 9.219 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.143 -21.076 11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -2.620 -22.147 9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.474 -21.692 11.267 1.00 0.00 H new ATOM 1248 N MET A 84 -0.926 -17.934 10.198 1.00 0.00 N ATOM 1249 CA MET A 84 -0.528 -16.764 10.972 1.00 0.00 C ATOM 1250 C MET A 84 -1.056 -15.483 10.334 1.00 0.00 C ATOM 1251 O MET A 84 -0.568 -15.051 9.291 1.00 0.00 O ATOM 1252 CB MET A 84 0.996 -16.698 11.089 1.00 0.00 C ATOM 1253 CG MET A 84 1.503 -15.406 11.711 1.00 0.00 C ATOM 1254 SD MET A 84 3.255 -15.124 11.396 1.00 0.00 S ATOM 1255 CE MET A 84 3.172 -13.950 10.046 1.00 0.00 C ATOM 0 H MET A 84 -0.713 -17.874 9.202 1.00 0.00 H new ATOM 0 HA MET A 84 -0.959 -16.856 11.969 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.343 -17.540 11.688 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.434 -16.810 10.097 1.00 0.00 H new ATOM 0 HG2 MET A 84 0.928 -14.568 11.318 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.331 -15.434 12.787 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.493 -14.433 9.123 1.00 0.00 H new ATOM 0 HE2 MET A 84 2.147 -13.597 9.934 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.826 -13.104 10.259 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.058 -14.881 10.967 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.637 -13.657 10.446 1.00 0.00 C ATOM 1267 C GLY A 85 -1.716 -12.464 10.611 1.00 0.00 C ATOM 1268 O GLY A 85 -1.296 -12.146 11.725 1.00 0.00 O ATOM 0 H GLY A 85 -2.479 -15.220 11.832 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.869 -13.790 9.389 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.579 -13.458 10.957 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.400 -11.804 9.503 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.520 -10.641 9.530 1.00 0.00 C ATOM 1274 C CYS A 86 -1.098 -9.503 8.695 1.00 0.00 C ATOM 1275 O CYS A 86 -1.554 -9.712 7.571 1.00 0.00 O ATOM 1276 CB CYS A 86 0.870 -11.014 9.013 1.00 0.00 C ATOM 1277 SG CYS A 86 0.852 -12.099 7.566 1.00 0.00 S ATOM 0 H CYS A 86 -1.740 -12.054 8.574 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.436 -10.304 10.563 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.410 -10.101 8.763 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.425 -11.503 9.814 1.00 0.00 H new ATOM 0 HG CYS A 86 0.999 -11.387 6.488 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.078 -8.297 9.254 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.600 -7.125 8.562 1.00 0.00 C ATOM 1285 C LYS A 87 -0.472 -6.329 7.913 1.00 0.00 C ATOM 1286 O LYS A 87 0.660 -6.331 8.396 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.371 -6.233 9.538 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.662 -6.856 10.040 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.506 -5.849 10.804 1.00 0.00 C ATOM 1290 CE LYS A 87 -5.640 -6.529 11.556 1.00 0.00 C ATOM 1291 NZ LYS A 87 -5.208 -7.006 12.899 1.00 0.00 N ATOM 0 H LYS A 87 -0.706 -8.106 10.184 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.277 -7.468 7.779 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.732 -6.004 10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.600 -5.286 9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.232 -7.244 9.196 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.431 -7.703 10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.876 -5.304 11.508 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.916 -5.116 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.471 -5.832 11.668 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.008 -7.373 10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.009 -7.463 13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.432 -7.690 12.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.880 -6.198 13.466 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.789 -5.649 6.816 1.00 0.00 N ATOM 1306 CA PHE A 88 0.198 -4.848 6.101 1.00 0.00 C ATOM 1307 C PHE A 88 -0.410 -3.530 5.629 1.00 0.00 C ATOM 1308 O PHE A 88 -1.623 -3.335 5.696 1.00 0.00 O ATOM 1309 CB PHE A 88 0.747 -5.627 4.903 1.00 0.00 C ATOM 1310 CG PHE A 88 1.217 -7.010 5.253 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.338 -8.081 5.232 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.538 -7.239 5.602 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.768 -9.355 5.552 1.00 0.00 C ATOM 1314 CE2 PHE A 88 2.974 -8.511 5.923 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.088 -9.570 5.899 1.00 0.00 C ATOM 0 H PHE A 88 -1.721 -5.637 6.403 1.00 0.00 H new ATOM 0 HA PHE A 88 1.015 -4.626 6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.028 -5.697 4.139 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.576 -5.070 4.466 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.695 -7.918 4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.235 -6.414 5.624 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.073 -10.181 5.531 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.007 -8.676 6.192 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.426 -10.564 6.151 1.00 0.00 H new ATOM 1325 N ARG A 89 0.444 -2.629 5.153 1.00 0.00 N ATOM 1326 CA ARG A 89 -0.008 -1.329 4.673 1.00 0.00 C ATOM 1327 C ARG A 89 1.098 -0.624 3.892 1.00 0.00 C ATOM 1328 O ARG A 89 2.275 -0.711 4.246 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.456 -0.455 5.845 1.00 0.00 C ATOM 1330 CG ARG A 89 0.611 -0.276 6.914 1.00 0.00 C ATOM 1331 CD ARG A 89 -0.002 0.085 8.258 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.205 1.524 8.398 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.838 2.081 9.425 1.00 0.00 C ATOM 1334 NH1 ARG A 89 -1.325 1.322 10.397 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -0.982 3.398 9.482 1.00 0.00 N ATOM 0 H ARG A 89 1.451 -2.776 5.090 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.855 -1.491 4.006 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.747 0.525 5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.343 -0.897 6.299 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.188 -1.196 7.011 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.306 0.506 6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.957 -0.428 8.370 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.647 -0.269 9.059 1.00 0.00 H new ATOM 0 HE ARG A 89 0.159 2.135 7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.214 0.309 10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.811 1.751 11.185 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.607 3.985 8.737 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.468 3.824 10.271 1.00 0.00 H new ATOM 1349 N LEU A 90 0.713 0.073 2.829 1.00 0.00 N ATOM 1350 CA LEU A 90 1.671 0.793 1.998 1.00 0.00 C ATOM 1351 C LEU A 90 1.506 2.301 2.157 1.00 0.00 C ATOM 1352 O LEU A 90 0.402 2.793 2.390 1.00 0.00 O ATOM 1353 CB LEU A 90 1.497 0.402 0.529 1.00 0.00 C ATOM 1354 CG LEU A 90 2.490 1.025 -0.453 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.853 0.362 -0.327 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.970 0.912 -1.879 1.00 0.00 C ATOM 0 H LEU A 90 -0.256 0.155 2.522 1.00 0.00 H new ATOM 0 HA LEU A 90 2.674 0.520 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.572 -0.683 0.451 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.489 0.675 0.218 1.00 0.00 H new ATOM 0 HG LEU A 90 2.599 2.082 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.546 0.818 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.229 0.494 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.761 -0.702 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.689 1.360 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.832 -0.139 -2.134 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.016 1.434 -1.961 1.00 0.00 H new ATOM 1368 N SER A 91 2.611 3.029 2.028 1.00 0.00 N ATOM 1369 CA SER A 91 2.589 4.481 2.160 1.00 0.00 C ATOM 1370 C SER A 91 3.731 5.115 1.373 1.00 0.00 C ATOM 1371 O SER A 91 4.851 4.604 1.362 1.00 0.00 O ATOM 1372 CB SER A 91 2.684 4.882 3.633 1.00 0.00 C ATOM 1373 OG SER A 91 3.992 4.671 4.135 1.00 0.00 O ATOM 0 H SER A 91 3.532 2.637 1.832 1.00 0.00 H new ATOM 0 HA SER A 91 1.645 4.844 1.753 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.413 5.932 3.746 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.969 4.303 4.218 1.00 0.00 H new ATOM 0 HG SER A 91 3.943 4.430 5.084 1.00 0.00 H new ATOM 1379 N ALA A 92 3.440 6.233 0.715 1.00 0.00 N ATOM 1380 CA ALA A 92 4.442 6.939 -0.073 1.00 0.00 C ATOM 1381 C ALA A 92 4.935 8.185 0.655 1.00 0.00 C ATOM 1382 O ALA A 92 4.141 8.958 1.190 1.00 0.00 O ATOM 1383 CB ALA A 92 3.877 7.310 -1.436 1.00 0.00 C ATOM 0 H ALA A 92 2.518 6.669 0.712 1.00 0.00 H new ATOM 0 HA ALA A 92 5.293 6.272 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.637 7.837 -2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.581 6.405 -1.966 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.008 7.955 -1.306 1.00 0.00 H new ATOM 1389 N ARG A 93 6.251 8.373 0.672 1.00 0.00 N ATOM 1390 CA ARG A 93 6.850 9.524 1.336 1.00 0.00 C ATOM 1391 C ARG A 93 7.730 10.312 0.370 1.00 0.00 C ATOM 1392 O ARG A 93 8.540 9.738 -0.356 1.00 0.00 O ATOM 1393 CB ARG A 93 7.675 9.072 2.542 1.00 0.00 C ATOM 1394 CG ARG A 93 8.470 10.193 3.191 1.00 0.00 C ATOM 1395 CD ARG A 93 9.680 9.657 3.939 1.00 0.00 C ATOM 1396 NE ARG A 93 10.625 10.717 4.282 1.00 0.00 N ATOM 1397 CZ ARG A 93 11.629 10.558 5.138 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.817 9.389 5.735 1.00 0.00 N ATOM 1399 NH2 ARG A 93 12.447 11.570 5.398 1.00 0.00 N ATOM 0 H ARG A 93 6.922 7.743 0.233 1.00 0.00 H new ATOM 0 HA ARG A 93 6.045 10.174 1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.008 8.634 3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.362 8.286 2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.796 10.899 2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.829 10.743 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.351 9.156 4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.182 8.908 3.327 1.00 0.00 H new ATOM 0 HE ARG A 93 10.508 11.629 3.840 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.190 8.609 5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.588 9.270 6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.305 12.471 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.217 11.447 6.055 1.00 0.00 H new ATOM 1413 N ASN A 94 7.564 11.631 0.368 1.00 0.00 N ATOM 1414 CA ASN A 94 8.343 12.497 -0.509 1.00 0.00 C ATOM 1415 C ASN A 94 9.186 13.476 0.302 1.00 0.00 C ATOM 1416 O ASN A 94 9.179 13.446 1.533 1.00 0.00 O ATOM 1417 CB ASN A 94 7.417 13.266 -1.454 1.00 0.00 C ATOM 1418 CG ASN A 94 6.308 13.989 -0.714 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.211 13.914 0.511 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.464 14.696 -1.457 1.00 0.00 N ATOM 0 H ASN A 94 6.898 12.123 0.963 1.00 0.00 H new ATOM 0 HA ASN A 94 9.012 11.869 -1.097 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.002 13.989 -2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.979 12.573 -2.173 1.00 0.00 H new ATOM 0 HD21 ASN A 94 4.698 15.204 -1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.582 14.731 -2.470 1.00 0.00 H new ATOM 1427 N ASP A 95 9.912 14.342 -0.396 1.00 0.00 N ATOM 1428 CA ASP A 95 10.760 15.332 0.259 1.00 0.00 C ATOM 1429 C ASP A 95 10.033 15.979 1.433 1.00 0.00 C ATOM 1430 O ASP A 95 10.660 16.439 2.388 1.00 0.00 O ATOM 1431 CB ASP A 95 11.196 16.404 -0.741 1.00 0.00 C ATOM 1432 CG ASP A 95 12.379 17.211 -0.246 1.00 0.00 C ATOM 1433 OD1 ASP A 95 12.583 17.271 0.985 1.00 0.00 O ATOM 1434 OD2 ASP A 95 13.102 17.784 -1.088 1.00 0.00 O ATOM 0 H ASP A 95 9.931 14.379 -1.415 1.00 0.00 H new ATOM 0 HA ASP A 95 11.644 14.821 0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 95 11.454 15.930 -1.688 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.360 17.075 -0.938 1.00 0.00 H new ATOM 1439 N TYR A 96 8.707 16.013 1.355 1.00 0.00 N ATOM 1440 CA TYR A 96 7.894 16.607 2.410 1.00 0.00 C ATOM 1441 C TYR A 96 7.764 15.658 3.597 1.00 0.00 C ATOM 1442 O TYR A 96 8.321 15.903 4.666 1.00 0.00 O ATOM 1443 CB TYR A 96 6.507 16.964 1.873 1.00 0.00 C ATOM 1444 CG TYR A 96 6.515 18.118 0.896 1.00 0.00 C ATOM 1445 CD1 TYR A 96 7.155 18.010 -0.332 1.00 0.00 C ATOM 1446 CD2 TYR A 96 5.880 19.316 1.201 1.00 0.00 C ATOM 1447 CE1 TYR A 96 7.164 19.062 -1.228 1.00 0.00 C ATOM 1448 CE2 TYR A 96 5.884 20.373 0.311 1.00 0.00 C ATOM 1449 CZ TYR A 96 6.527 20.241 -0.901 1.00 0.00 C ATOM 1450 OH TYR A 96 6.534 21.291 -1.791 1.00 0.00 O ATOM 0 H TYR A 96 8.172 15.636 0.572 1.00 0.00 H new ATOM 0 HA TYR A 96 8.390 17.516 2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.079 16.088 1.385 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.855 17.212 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.654 17.088 -0.591 1.00 0.00 H new ATOM 0 HD2 TYR A 96 5.375 19.423 2.150 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.667 18.962 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.386 21.297 0.564 1.00 0.00 H new ATOM 0 HH TYR A 96 6.041 22.047 -1.409 1.00 0.00 H new ATOM 1460 N GLY A 97 7.022 14.572 3.400 1.00 0.00 N ATOM 1461 CA GLY A 97 6.831 13.602 4.462 1.00 0.00 C ATOM 1462 C GLY A 97 6.096 12.363 3.990 1.00 0.00 C ATOM 1463 O GLY A 97 5.776 12.234 2.808 1.00 0.00 O ATOM 0 H GLY A 97 6.550 14.347 2.524 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.802 13.313 4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.272 14.064 5.276 1.00 0.00 H new ATOM 1467 N THR A 98 5.828 11.447 4.916 1.00 0.00 N ATOM 1468 CA THR A 98 5.129 10.211 4.588 1.00 0.00 C ATOM 1469 C THR A 98 3.618 10.412 4.607 1.00 0.00 C ATOM 1470 O THR A 98 3.049 10.817 5.621 1.00 0.00 O ATOM 1471 CB THR A 98 5.497 9.081 5.567 1.00 0.00 C ATOM 1472 OG1 THR A 98 6.915 8.876 5.568 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.793 7.786 5.189 1.00 0.00 C ATOM 0 H THR A 98 6.085 11.538 5.899 1.00 0.00 H new ATOM 0 HA THR A 98 5.443 9.928 3.583 1.00 0.00 H new ATOM 0 HB THR A 98 5.172 9.375 6.565 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.112 7.952 5.308 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.069 7.003 5.895 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.714 7.937 5.217 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.092 7.490 4.183 1.00 0.00 H new ATOM 1481 N SER A 99 2.973 10.128 3.480 1.00 0.00 N ATOM 1482 CA SER A 99 1.527 10.281 3.367 1.00 0.00 C ATOM 1483 C SER A 99 0.804 9.115 4.035 1.00 0.00 C ATOM 1484 O SER A 99 1.306 7.992 4.064 1.00 0.00 O ATOM 1485 CB SER A 99 1.117 10.375 1.897 1.00 0.00 C ATOM 1486 OG SER A 99 1.351 9.151 1.222 1.00 0.00 O ATOM 0 H SER A 99 3.429 9.791 2.632 1.00 0.00 H new ATOM 0 HA SER A 99 1.242 11.202 3.876 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.061 10.636 1.827 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.676 11.174 1.411 1.00 0.00 H new ATOM 0 HG SER A 99 2.316 8.992 1.158 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.381 9.391 4.571 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.155 8.357 5.232 1.00 0.00 C ATOM 1494 C GLY A 100 -0.972 6.996 4.589 1.00 0.00 C ATOM 1495 O GLY A 100 -0.834 6.890 3.370 1.00 0.00 O ATOM 0 H GLY A 100 -0.819 10.312 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.862 8.302 6.281 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.211 8.627 5.209 1.00 0.00 H new ATOM 1499 N PHE A 101 -0.970 5.951 5.410 1.00 0.00 N ATOM 1500 CA PHE A 101 -0.799 4.590 4.915 1.00 0.00 C ATOM 1501 C PHE A 101 -2.083 4.083 4.266 1.00 0.00 C ATOM 1502 O PHE A 101 -3.145 4.689 4.409 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.389 3.657 6.056 1.00 0.00 C ATOM 1504 CG PHE A 101 0.954 3.984 6.644 1.00 0.00 C ATOM 1505 CD1 PHE A 101 1.102 5.046 7.521 1.00 0.00 C ATOM 1506 CD2 PHE A 101 2.070 3.229 6.318 1.00 0.00 C ATOM 1507 CE1 PHE A 101 2.336 5.349 8.064 1.00 0.00 C ATOM 1508 CE2 PHE A 101 3.307 3.527 6.858 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.440 4.589 7.731 1.00 0.00 C ATOM 0 H PHE A 101 -1.085 6.021 6.421 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.011 4.600 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.142 3.705 6.842 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.376 2.631 5.689 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.242 5.645 7.784 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.972 2.399 5.634 1.00 0.00 H new ATOM 0 HE1 PHE A 101 2.437 6.179 8.748 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.169 2.930 6.598 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.406 4.825 8.153 1.00 0.00 H new ATOM 1519 N SER A 102 -1.977 2.967 3.551 1.00 0.00 N ATOM 1520 CA SER A 102 -3.128 2.380 2.875 1.00 0.00 C ATOM 1521 C SER A 102 -4.008 1.620 3.862 1.00 0.00 C ATOM 1522 O SER A 102 -3.626 1.404 5.012 1.00 0.00 O ATOM 1523 CB SER A 102 -2.667 1.442 1.758 1.00 0.00 C ATOM 1524 OG SER A 102 -2.001 0.308 2.287 1.00 0.00 O ATOM 0 H SER A 102 -1.106 2.452 3.425 1.00 0.00 H new ATOM 0 HA SER A 102 -3.715 3.189 2.441 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.527 1.121 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.000 1.977 1.082 1.00 0.00 H new ATOM 0 HG SER A 102 -2.618 -0.453 2.308 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.189 1.216 3.404 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.124 0.481 4.247 1.00 0.00 C ATOM 1532 C GLU A 103 -5.469 -0.772 4.821 1.00 0.00 C ATOM 1533 O GLU A 103 -4.732 -1.472 4.128 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.372 0.097 3.449 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.383 1.224 3.320 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.387 1.240 4.456 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -8.974 1.031 5.616 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.585 1.462 4.185 1.00 0.00 O ATOM 0 H GLU A 103 -5.520 1.385 2.454 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.415 1.129 5.073 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.071 -0.225 2.452 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.851 -0.756 3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.856 2.178 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.913 1.125 2.373 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.744 -1.048 6.092 1.00 0.00 N ATOM 1546 CA GLU A 104 -5.181 -2.215 6.760 1.00 0.00 C ATOM 1547 C GLU A 104 -5.642 -3.503 6.084 1.00 0.00 C ATOM 1548 O GLU A 104 -6.831 -3.825 6.081 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.581 -2.229 8.237 1.00 0.00 C ATOM 1550 CG GLU A 104 -5.031 -1.054 9.027 1.00 0.00 C ATOM 1551 CD GLU A 104 -5.315 -1.166 10.513 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -4.632 -1.964 11.188 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -6.220 -0.457 10.999 1.00 0.00 O ATOM 0 H GLU A 104 -6.353 -0.479 6.680 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.095 -2.155 6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.669 -2.228 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.232 -3.156 8.691 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.954 -0.988 8.871 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.466 -0.130 8.646 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.693 -4.237 5.512 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.000 -5.491 4.834 1.00 0.00 C ATOM 1562 C VAL A 105 -4.549 -6.689 5.662 1.00 0.00 C ATOM 1563 O VAL A 105 -3.370 -6.818 5.995 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.332 -5.558 3.448 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -4.898 -4.485 2.530 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -2.823 -5.418 3.577 1.00 0.00 C ATOM 0 H VAL A 105 -3.705 -3.985 5.505 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.082 -5.526 4.710 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.548 -6.531 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.414 -4.548 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.971 -4.636 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.715 -3.502 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.367 -5.468 2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.585 -4.460 4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.434 -6.226 4.197 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.493 -7.563 5.991 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.193 -8.753 6.780 1.00 0.00 C ATOM 1578 C LEU A 106 -5.020 -9.973 5.881 1.00 0.00 C ATOM 1579 O LEU A 106 -5.921 -10.330 5.121 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.307 -9.008 7.797 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.132 -10.238 8.690 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -4.921 -10.072 9.595 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.387 -10.482 9.514 1.00 0.00 C ATOM 0 H LEU A 106 -6.473 -7.470 5.724 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.257 -8.581 7.311 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.396 -8.130 8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.249 -9.107 7.257 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.967 -11.106 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -4.812 -10.956 10.223 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.026 -9.947 8.986 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.056 -9.193 10.226 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.244 -11.361 10.143 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.584 -9.614 10.143 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.234 -10.647 8.847 1.00 0.00 H new ATOM 1595 N TYR A 107 -3.858 -10.610 5.975 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.567 -11.791 5.171 1.00 0.00 C ATOM 1597 C TYR A 107 -3.203 -12.978 6.057 1.00 0.00 C ATOM 1598 O TYR A 107 -2.719 -12.807 7.176 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.425 -11.500 4.196 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.861 -10.746 2.960 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.659 -11.353 1.998 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.475 -9.428 2.754 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -4.060 -10.669 0.866 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -2.872 -8.735 1.626 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.664 -9.360 0.686 1.00 0.00 C ATOM 1606 OH TYR A 107 -4.061 -8.674 -0.439 1.00 0.00 O ATOM 0 H TYR A 107 -3.103 -10.328 6.600 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.464 -12.044 4.606 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.657 -10.923 4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -1.967 -12.442 3.894 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.971 -12.377 2.137 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -1.854 -8.936 3.488 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.679 -11.156 0.127 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.564 -7.710 1.482 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.137 -7.720 -0.230 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.440 -14.182 5.549 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.140 -15.399 6.293 1.00 0.00 C ATOM 1618 C TYR A 108 -2.370 -16.392 5.427 1.00 0.00 C ATOM 1619 O TYR A 108 -2.846 -16.815 4.374 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.431 -16.043 6.801 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.838 -15.577 8.181 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.342 -14.299 8.384 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.716 -16.416 9.282 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -5.714 -13.869 9.643 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.087 -15.995 10.545 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.585 -14.721 10.720 1.00 0.00 C ATOM 1627 OH TYR A 108 -5.954 -14.297 11.976 1.00 0.00 O ATOM 0 H TYR A 108 -3.839 -14.341 4.624 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.517 -15.128 7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.237 -15.824 6.100 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.306 -17.126 6.814 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.445 -13.630 7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.325 -17.414 9.148 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.104 -12.872 9.783 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.987 -16.660 11.390 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.801 -15.017 12.623 1.00 0.00 H new ATOM 1637 N THR A 109 -1.176 -16.760 5.881 1.00 0.00 N ATOM 1638 CA THR A 109 -0.338 -17.702 5.149 1.00 0.00 C ATOM 1639 C THR A 109 -1.119 -18.956 4.774 1.00 0.00 C ATOM 1640 O THR A 109 -2.199 -19.210 5.309 1.00 0.00 O ATOM 1641 CB THR A 109 0.900 -18.109 5.971 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.506 -18.487 7.295 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.902 -16.966 6.041 1.00 0.00 C ATOM 0 H THR A 109 -0.768 -16.420 6.752 1.00 0.00 H new ATOM 0 HA THR A 109 -0.012 -17.195 4.241 1.00 0.00 H new ATOM 0 HB THR A 109 1.374 -18.957 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.291 -18.488 7.882 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.768 -17.276 6.626 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.222 -16.700 5.033 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.436 -16.102 6.514 1.00 0.00 H new ATOM 1651 N SER A 110 -0.567 -19.739 3.853 1.00 0.00 N ATOM 1652 CA SER A 110 -1.214 -20.966 3.404 1.00 0.00 C ATOM 1653 C SER A 110 -1.476 -21.903 4.580 1.00 0.00 C ATOM 1654 O SER A 110 -0.765 -21.873 5.583 1.00 0.00 O ATOM 1655 CB SER A 110 -0.348 -21.672 2.359 1.00 0.00 C ATOM 1656 OG SER A 110 -0.901 -22.927 2.002 1.00 0.00 O ATOM 0 H SER A 110 0.328 -19.545 3.403 1.00 0.00 H new ATOM 0 HA SER A 110 -2.170 -20.699 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.259 -21.045 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.659 -21.813 2.752 1.00 0.00 H new ATOM 0 HG SER A 110 -0.330 -23.357 1.332 1.00 0.00 H new