USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 76 ASN : amide:sc= -5.6! C(o=-9.9!,f=-19!) USER MOD Set 1.2: A 77 ASN : amide:sc= -4.29! C(o=-9.9!,f=-14!) USER MOD Set 2.1: A 20 ASN : amide:sc= -0.403 X(o=-0.22,f=-0.065) USER MOD Set 2.2: A 85 GLN : amide:sc= 0.185 X(o=-0.22,f=-0.065) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -140:sc= -3.61! USER MOD Single : A 15 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.1!) USER MOD Single : A 17 TYR OH : rot 180:sc= -1.26! USER MOD Single : A 19 THR OG1 : rot -142:sc= 0.387 USER MOD Single : A 24 THR OG1 : rot 180:sc=-0.000291 USER MOD Single : A 26 THR OG1 : rot -169:sc= -2.6! USER MOD Single : A 29 GLN : amide:sc= 0.0294 K(o=0.029,f=-3.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -45:sc= 0.512 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.032 X(o=-0.032,f=-0.18) USER MOD Single : A 43 LYS NZ :NH3+ 156:sc= -2.16! (180deg=-3.4!) USER MOD Single : A 44 ASN : amide:sc= -3.24 K(o=-3.2,f=-7.5!) USER MOD Single : A 62 TYR OH : rot 91:sc= -1.48! USER MOD Single : A 63 ASN : amide:sc= -14.9! C(o=-15!,f=-14!) USER MOD Single : A 64 LYS NZ :NH3+ 159:sc=-0.000542 (180deg=-0.642) USER MOD Single : A 69 GLN : amide:sc= -0.0137 X(o=-0.014,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 98:sc= -0.271 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.767 X(o=-0.77,f=-0.42) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N LYS A 12 -7.192 -1.130 -10.839 1.00 0.00 N ATOM 160 CA LYS A 12 -6.710 0.278 -10.987 1.00 0.00 C ATOM 161 C LYS A 12 -7.731 1.270 -10.407 1.00 0.00 C ATOM 162 O LYS A 12 -7.945 2.332 -10.956 1.00 0.00 O ATOM 163 CB LYS A 12 -6.497 0.590 -12.471 1.00 0.00 C ATOM 164 CG LYS A 12 -7.691 0.078 -13.280 1.00 0.00 C ATOM 165 CD LYS A 12 -7.561 0.542 -14.733 1.00 0.00 C ATOM 166 CE LYS A 12 -8.942 0.906 -15.283 1.00 0.00 C ATOM 167 NZ LYS A 12 -9.015 2.378 -15.502 1.00 0.00 N ATOM 0 HA LYS A 12 -5.772 0.380 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.382 1.664 -12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.578 0.121 -12.823 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.733 -1.010 -13.237 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.621 0.450 -12.850 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.897 1.404 -14.792 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.114 -0.247 -15.338 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.123 0.378 -16.219 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.718 0.592 -14.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.953 2.627 -15.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.860 2.871 -14.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.283 2.664 -16.184 1.00 0.00 H new ATOM 181 N ASP A 13 -8.360 0.946 -9.307 1.00 0.00 N ATOM 182 CA ASP A 13 -9.354 1.894 -8.718 1.00 0.00 C ATOM 183 C ASP A 13 -9.193 1.967 -7.193 1.00 0.00 C ATOM 184 O ASP A 13 -10.038 2.499 -6.502 1.00 0.00 O ATOM 185 CB ASP A 13 -10.770 1.423 -9.048 1.00 0.00 C ATOM 186 CG ASP A 13 -10.855 1.048 -10.529 1.00 0.00 C ATOM 187 OD1 ASP A 13 -10.138 1.644 -11.312 1.00 0.00 O ATOM 188 OD2 ASP A 13 -11.641 0.173 -10.853 1.00 0.00 O ATOM 0 H ASP A 13 -8.231 0.074 -8.794 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.181 2.883 -9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.032 0.564 -8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -11.488 2.211 -8.820 1.00 0.00 H new ATOM 193 N THR A 14 -8.123 1.444 -6.659 1.00 0.00 N ATOM 194 CA THR A 14 -7.926 1.494 -5.179 1.00 0.00 C ATOM 195 C THR A 14 -6.443 1.282 -4.852 1.00 0.00 C ATOM 196 O THR A 14 -6.046 0.266 -4.321 1.00 0.00 O ATOM 197 CB THR A 14 -8.781 0.415 -4.518 1.00 0.00 C ATOM 198 OG1 THR A 14 -9.617 -0.187 -5.495 1.00 0.00 O ATOM 199 CG2 THR A 14 -9.643 1.064 -3.439 1.00 0.00 C ATOM 0 H THR A 14 -7.377 0.985 -7.181 1.00 0.00 H new ATOM 0 HA THR A 14 -8.231 2.468 -4.797 1.00 0.00 H new ATOM 0 HB THR A 14 -8.142 -0.347 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.504 -0.349 -5.112 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.259 0.303 -2.959 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.001 1.534 -2.694 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.286 1.819 -3.892 1.00 0.00 H new ATOM 207 N ASN A 15 -5.614 2.244 -5.158 1.00 0.00 N ATOM 208 CA ASN A 15 -4.160 2.093 -4.869 1.00 0.00 C ATOM 209 C ASN A 15 -3.927 2.319 -3.377 1.00 0.00 C ATOM 210 O ASN A 15 -4.682 3.002 -2.713 1.00 0.00 O ATOM 211 CB ASN A 15 -3.371 3.128 -5.675 1.00 0.00 C ATOM 212 CG ASN A 15 -3.770 3.040 -7.149 1.00 0.00 C ATOM 213 OD1 ASN A 15 -3.189 2.284 -7.903 1.00 0.00 O ATOM 214 ND2 ASN A 15 -4.744 3.785 -7.595 1.00 0.00 N ATOM 0 H ASN A 15 -5.881 3.126 -5.595 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.827 1.093 -5.146 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.569 4.130 -5.293 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -2.301 2.951 -5.566 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.018 3.733 -8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.232 4.419 -6.962 1.00 0.00 H new ATOM 221 N LEU A 16 -2.900 1.726 -2.839 1.00 0.00 N ATOM 222 CA LEU A 16 -2.626 1.872 -1.385 1.00 0.00 C ATOM 223 C LEU A 16 -1.575 2.963 -1.158 1.00 0.00 C ATOM 224 O LEU A 16 -0.410 2.783 -1.450 1.00 0.00 O ATOM 225 CB LEU A 16 -2.104 0.521 -0.855 1.00 0.00 C ATOM 226 CG LEU A 16 -2.282 0.378 0.672 1.00 0.00 C ATOM 227 CD1 LEU A 16 -3.473 1.200 1.166 1.00 0.00 C ATOM 228 CD2 LEU A 16 -2.530 -1.097 1.002 1.00 0.00 C ATOM 0 H LEU A 16 -2.235 1.143 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.537 2.156 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.631 -0.291 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.048 0.419 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.380 0.742 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.575 1.081 2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.312 2.252 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.383 0.854 0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.658 -1.213 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.431 -1.438 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.678 -1.692 0.672 1.00 0.00 H new ATOM 240 N TYR A 17 -1.972 4.090 -0.625 1.00 0.00 N ATOM 241 CA TYR A 17 -0.984 5.176 -0.369 1.00 0.00 C ATOM 242 C TYR A 17 -0.227 4.850 0.916 1.00 0.00 C ATOM 243 O TYR A 17 -0.606 5.268 1.993 1.00 0.00 O ATOM 244 CB TYR A 17 -1.714 6.512 -0.206 1.00 0.00 C ATOM 245 CG TYR A 17 -0.701 7.626 -0.103 1.00 0.00 C ATOM 246 CD1 TYR A 17 0.247 7.805 -1.117 1.00 0.00 C ATOM 247 CD2 TYR A 17 -0.709 8.482 1.006 1.00 0.00 C ATOM 248 CE1 TYR A 17 1.187 8.838 -1.024 1.00 0.00 C ATOM 249 CE2 TYR A 17 0.231 9.515 1.100 1.00 0.00 C ATOM 250 CZ TYR A 17 1.180 9.693 0.084 1.00 0.00 C ATOM 251 OH TYR A 17 2.106 10.712 0.176 1.00 0.00 O ATOM 0 H TYR A 17 -2.933 4.303 -0.358 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.290 5.251 -1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.375 6.684 -1.055 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.340 6.491 0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.253 7.145 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.441 8.345 1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.918 8.975 -1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.225 10.175 1.955 1.00 0.00 H new ATOM 0 HH TYR A 17 1.961 11.212 1.006 1.00 0.00 H new ATOM 261 N VAL A 18 0.832 4.096 0.818 1.00 0.00 N ATOM 262 CA VAL A 18 1.596 3.734 2.043 1.00 0.00 C ATOM 263 C VAL A 18 2.504 4.895 2.451 1.00 0.00 C ATOM 264 O VAL A 18 3.445 5.238 1.764 1.00 0.00 O ATOM 265 CB VAL A 18 2.436 2.485 1.775 1.00 0.00 C ATOM 266 CG1 VAL A 18 1.511 1.278 1.621 1.00 0.00 C ATOM 267 CG2 VAL A 18 3.243 2.663 0.488 1.00 0.00 C ATOM 0 H VAL A 18 1.200 3.716 -0.054 1.00 0.00 H new ATOM 0 HA VAL A 18 0.898 3.528 2.854 1.00 0.00 H new ATOM 0 HB VAL A 18 3.119 2.329 2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.106 0.385 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.936 1.141 2.537 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.830 1.446 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.838 1.768 0.305 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.563 2.824 -0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.904 3.524 0.589 1.00 0.00 H new ATOM 277 N THR A 19 2.224 5.505 3.567 1.00 0.00 N ATOM 278 CA THR A 19 3.067 6.648 4.024 1.00 0.00 C ATOM 279 C THR A 19 3.741 6.292 5.352 1.00 0.00 C ATOM 280 O THR A 19 3.320 5.390 6.045 1.00 0.00 O ATOM 281 CB THR A 19 2.187 7.886 4.212 1.00 0.00 C ATOM 282 OG1 THR A 19 1.271 7.983 3.129 1.00 0.00 O ATOM 283 CG2 THR A 19 3.061 9.140 4.257 1.00 0.00 C ATOM 0 H THR A 19 1.449 5.263 4.184 1.00 0.00 H new ATOM 0 HA THR A 19 3.832 6.855 3.276 1.00 0.00 H new ATOM 0 HB THR A 19 1.637 7.799 5.149 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.156 8.924 2.881 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.430 10.019 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.761 9.066 5.089 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.616 9.231 3.323 1.00 0.00 H new ATOM 291 N ASN A 20 4.783 6.994 5.711 1.00 0.00 N ATOM 292 CA ASN A 20 5.485 6.697 6.996 1.00 0.00 C ATOM 293 C ASN A 20 6.389 5.475 6.821 1.00 0.00 C ATOM 294 O ASN A 20 6.328 4.533 7.585 1.00 0.00 O ATOM 295 CB ASN A 20 4.453 6.409 8.092 1.00 0.00 C ATOM 296 CG ASN A 20 5.106 6.564 9.467 1.00 0.00 C ATOM 297 OD1 ASN A 20 4.942 5.723 10.327 1.00 0.00 O ATOM 298 ND2 ASN A 20 5.843 7.613 9.711 1.00 0.00 N ATOM 0 H ASN A 20 5.180 7.762 5.169 1.00 0.00 H new ATOM 0 HA ASN A 20 6.089 7.559 7.280 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.610 7.093 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.058 5.399 7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.282 7.727 10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.980 8.319 8.988 1.00 0.00 H new ATOM 305 N LEU A 21 7.233 5.482 5.824 1.00 0.00 N ATOM 306 CA LEU A 21 8.139 4.316 5.615 1.00 0.00 C ATOM 307 C LEU A 21 9.328 4.733 4.745 1.00 0.00 C ATOM 308 O LEU A 21 9.169 5.430 3.763 1.00 0.00 O ATOM 309 CB LEU A 21 7.369 3.181 4.929 1.00 0.00 C ATOM 310 CG LEU A 21 6.794 3.670 3.598 1.00 0.00 C ATOM 311 CD1 LEU A 21 6.692 2.494 2.624 1.00 0.00 C ATOM 312 CD2 LEU A 21 5.401 4.257 3.831 1.00 0.00 C ATOM 0 H LEU A 21 7.334 6.240 5.149 1.00 0.00 H new ATOM 0 HA LEU A 21 8.507 3.969 6.581 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.031 2.332 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.564 2.833 5.577 1.00 0.00 H new ATOM 0 HG LEU A 21 7.448 4.435 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.282 2.842 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.683 2.072 2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.038 1.730 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.990 4.606 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.749 3.491 4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.470 5.094 4.526 1.00 0.00 H new ATOM 324 N PRO A 22 10.490 4.288 5.142 1.00 0.00 N ATOM 325 CA PRO A 22 11.700 4.638 4.366 1.00 0.00 C ATOM 326 C PRO A 22 11.909 3.629 3.233 1.00 0.00 C ATOM 327 O PRO A 22 11.117 2.728 3.040 1.00 0.00 O ATOM 328 CB PRO A 22 12.841 4.555 5.380 1.00 0.00 C ATOM 329 CG PRO A 22 12.349 3.631 6.510 1.00 0.00 C ATOM 330 CD PRO A 22 10.814 3.612 6.422 1.00 0.00 C ATOM 0 HA PRO A 22 11.633 5.622 3.902 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.744 4.157 4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.090 5.543 5.767 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.757 2.627 6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.677 3.999 7.482 1.00 0.00 H new ATOM 0 HD2 PRO A 22 10.431 2.592 6.436 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.365 4.133 7.267 1.00 0.00 H new ATOM 338 N ARG A 23 12.968 3.772 2.485 1.00 0.00 N ATOM 339 CA ARG A 23 13.219 2.817 1.369 1.00 0.00 C ATOM 340 C ARG A 23 14.034 1.630 1.887 1.00 0.00 C ATOM 341 O ARG A 23 14.858 1.075 1.186 1.00 0.00 O ATOM 342 CB ARG A 23 13.982 3.525 0.246 1.00 0.00 C ATOM 343 CG ARG A 23 15.451 3.701 0.640 1.00 0.00 C ATOM 344 CD ARG A 23 15.960 5.051 0.127 1.00 0.00 C ATOM 345 NE ARG A 23 16.778 4.844 -1.102 1.00 0.00 N ATOM 346 CZ ARG A 23 17.838 4.083 -1.063 1.00 0.00 C ATOM 347 NH1 ARG A 23 18.329 3.706 0.087 1.00 0.00 N ATOM 348 NH2 ARG A 23 18.408 3.703 -2.173 1.00 0.00 N ATOM 0 H ARG A 23 13.668 4.506 2.597 1.00 0.00 H new ATOM 0 HA ARG A 23 12.268 2.456 0.978 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.911 2.946 -0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.532 4.497 0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 23 15.557 3.649 1.724 1.00 0.00 H new ATOM 0 HG3 ARG A 23 16.050 2.892 0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 23 15.119 5.709 -0.091 1.00 0.00 H new ATOM 0 HD3 ARG A 23 16.558 5.541 0.895 1.00 0.00 H new ATOM 0 HE ARG A 23 16.509 5.298 -1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 23 17.884 4.006 0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 23 19.157 3.111 0.118 1.00 0.00 H new ATOM 0 HH21 ARG A 23 18.025 4.000 -3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 23 19.236 3.108 -2.143 1.00 0.00 H new ATOM 362 N THR A 24 13.806 1.231 3.110 1.00 0.00 N ATOM 363 CA THR A 24 14.561 0.077 3.669 1.00 0.00 C ATOM 364 C THR A 24 13.939 -1.221 3.155 1.00 0.00 C ATOM 365 O THR A 24 14.607 -2.049 2.565 1.00 0.00 O ATOM 366 CB THR A 24 14.486 0.111 5.197 1.00 0.00 C ATOM 367 OG1 THR A 24 14.882 1.396 5.659 1.00 0.00 O ATOM 368 CG2 THR A 24 15.418 -0.952 5.779 1.00 0.00 C ATOM 0 H THR A 24 13.129 1.656 3.744 1.00 0.00 H new ATOM 0 HA THR A 24 15.604 0.133 3.359 1.00 0.00 H new ATOM 0 HB THR A 24 13.464 -0.092 5.516 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.833 1.421 6.637 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.364 -0.927 6.867 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.114 -1.936 5.423 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.441 -0.752 5.462 1.00 0.00 H new ATOM 376 N ILE A 25 12.663 -1.402 3.359 1.00 0.00 N ATOM 377 CA ILE A 25 12.000 -2.639 2.868 1.00 0.00 C ATOM 378 C ILE A 25 12.107 -2.682 1.343 1.00 0.00 C ATOM 379 O ILE A 25 12.432 -1.698 0.710 1.00 0.00 O ATOM 380 CB ILE A 25 10.527 -2.624 3.280 1.00 0.00 C ATOM 381 CG1 ILE A 25 9.902 -1.288 2.871 1.00 0.00 C ATOM 382 CG2 ILE A 25 10.416 -2.794 4.796 1.00 0.00 C ATOM 383 CD1 ILE A 25 8.823 -1.537 1.817 1.00 0.00 C ATOM 0 H ILE A 25 12.052 -0.745 3.845 1.00 0.00 H new ATOM 0 HA ILE A 25 12.483 -3.517 3.297 1.00 0.00 H new ATOM 0 HB ILE A 25 10.003 -3.442 2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.470 -0.794 3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 25 10.668 -0.622 2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 25 9.366 -2.783 5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 25 10.864 -3.743 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.939 -1.977 5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.375 -0.588 1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.270 -2.013 0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.053 -2.188 2.231 1.00 0.00 H new ATOM 395 N THR A 26 11.842 -3.809 0.742 1.00 0.00 N ATOM 396 CA THR A 26 11.941 -3.893 -0.744 1.00 0.00 C ATOM 397 C THR A 26 10.538 -4.019 -1.346 1.00 0.00 C ATOM 398 O THR A 26 9.705 -4.762 -0.862 1.00 0.00 O ATOM 399 CB THR A 26 12.786 -5.110 -1.150 1.00 0.00 C ATOM 400 OG1 THR A 26 11.926 -6.179 -1.518 1.00 0.00 O ATOM 401 CG2 THR A 26 13.675 -5.548 0.018 1.00 0.00 C ATOM 0 H THR A 26 11.563 -4.671 1.211 1.00 0.00 H new ATOM 0 HA THR A 26 12.419 -2.988 -1.119 1.00 0.00 H new ATOM 0 HB THR A 26 13.419 -4.839 -1.995 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.449 -7.003 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 26 14.269 -6.411 -0.281 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.339 -4.730 0.297 1.00 0.00 H new ATOM 0 HG23 THR A 26 13.050 -5.815 0.870 1.00 0.00 H new ATOM 409 N ASP A 27 10.271 -3.300 -2.402 1.00 0.00 N ATOM 410 CA ASP A 27 8.925 -3.385 -3.034 1.00 0.00 C ATOM 411 C ASP A 27 8.635 -4.841 -3.395 1.00 0.00 C ATOM 412 O ASP A 27 7.691 -5.436 -2.914 1.00 0.00 O ATOM 413 CB ASP A 27 8.898 -2.532 -4.303 1.00 0.00 C ATOM 414 CG ASP A 27 7.487 -1.983 -4.519 1.00 0.00 C ATOM 415 OD1 ASP A 27 6.699 -2.049 -3.591 1.00 0.00 O ATOM 416 OD2 ASP A 27 7.219 -1.505 -5.609 1.00 0.00 O ATOM 0 H ASP A 27 10.925 -2.660 -2.853 1.00 0.00 H new ATOM 0 HA ASP A 27 8.170 -3.018 -2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.610 -1.711 -4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.203 -3.130 -5.162 1.00 0.00 H new ATOM 421 N ASP A 28 9.446 -5.420 -4.235 1.00 0.00 N ATOM 422 CA ASP A 28 9.225 -6.838 -4.630 1.00 0.00 C ATOM 423 C ASP A 28 9.001 -7.693 -3.381 1.00 0.00 C ATOM 424 O ASP A 28 8.439 -8.769 -3.451 1.00 0.00 O ATOM 425 CB ASP A 28 10.452 -7.353 -5.386 1.00 0.00 C ATOM 426 CG ASP A 28 11.700 -7.160 -4.524 1.00 0.00 C ATOM 427 OD1 ASP A 28 12.015 -6.023 -4.216 1.00 0.00 O ATOM 428 OD2 ASP A 28 12.322 -8.155 -4.185 1.00 0.00 O ATOM 0 H ASP A 28 10.254 -4.971 -4.666 1.00 0.00 H new ATOM 0 HA ASP A 28 8.347 -6.901 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.325 -8.408 -5.631 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.562 -6.818 -6.329 1.00 0.00 H new ATOM 433 N GLN A 29 9.441 -7.237 -2.238 1.00 0.00 N ATOM 434 CA GLN A 29 9.255 -8.046 -1.002 1.00 0.00 C ATOM 435 C GLN A 29 7.798 -7.984 -0.545 1.00 0.00 C ATOM 436 O GLN A 29 7.205 -8.994 -0.213 1.00 0.00 O ATOM 437 CB GLN A 29 10.163 -7.516 0.113 1.00 0.00 C ATOM 438 CG GLN A 29 9.912 -8.310 1.398 1.00 0.00 C ATOM 439 CD GLN A 29 10.504 -7.553 2.589 1.00 0.00 C ATOM 440 OE1 GLN A 29 10.928 -6.423 2.455 1.00 0.00 O ATOM 441 NE2 GLN A 29 10.549 -8.132 3.757 1.00 0.00 N ATOM 0 H GLN A 29 9.918 -6.345 -2.109 1.00 0.00 H new ATOM 0 HA GLN A 29 9.518 -9.081 -1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.208 -7.604 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.967 -6.457 0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.842 -8.459 1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.364 -9.299 1.321 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.193 -9.081 3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.940 -7.636 4.558 1.00 0.00 H new ATOM 450 N LEU A 30 7.209 -6.821 -0.520 1.00 0.00 N ATOM 451 CA LEU A 30 5.788 -6.734 -0.080 1.00 0.00 C ATOM 452 C LEU A 30 4.988 -7.846 -0.767 1.00 0.00 C ATOM 453 O LEU A 30 3.982 -8.299 -0.266 1.00 0.00 O ATOM 454 CB LEU A 30 5.210 -5.365 -0.447 1.00 0.00 C ATOM 455 CG LEU A 30 5.146 -4.486 0.808 1.00 0.00 C ATOM 456 CD1 LEU A 30 6.564 -4.228 1.319 1.00 0.00 C ATOM 457 CD2 LEU A 30 4.481 -3.150 0.462 1.00 0.00 C ATOM 0 H LEU A 30 7.644 -5.936 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 30 5.729 -6.855 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.829 -4.888 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.214 -5.481 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 30 4.566 -4.993 1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.521 -3.603 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.041 -5.177 1.563 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.142 -3.719 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.435 -2.525 1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.063 -2.643 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.471 -3.331 0.093 1.00 0.00 H new ATOM 469 N ASP A 31 5.442 -8.305 -1.903 1.00 0.00 N ATOM 470 CA ASP A 31 4.723 -9.404 -2.610 1.00 0.00 C ATOM 471 C ASP A 31 4.809 -10.676 -1.760 1.00 0.00 C ATOM 472 O ASP A 31 3.814 -11.318 -1.473 1.00 0.00 O ATOM 473 CB ASP A 31 5.385 -9.643 -3.973 1.00 0.00 C ATOM 474 CG ASP A 31 5.055 -11.048 -4.487 1.00 0.00 C ATOM 475 OD1 ASP A 31 3.958 -11.512 -4.223 1.00 0.00 O ATOM 476 OD2 ASP A 31 5.907 -11.636 -5.134 1.00 0.00 O ATOM 0 H ASP A 31 6.281 -7.965 -2.372 1.00 0.00 H new ATOM 0 HA ASP A 31 3.677 -9.135 -2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.040 -8.897 -4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.465 -9.525 -3.886 1.00 0.00 H new ATOM 481 N THR A 32 5.996 -11.040 -1.356 1.00 0.00 N ATOM 482 CA THR A 32 6.160 -12.261 -0.523 1.00 0.00 C ATOM 483 C THR A 32 5.235 -12.166 0.690 1.00 0.00 C ATOM 484 O THR A 32 4.451 -13.056 0.955 1.00 0.00 O ATOM 485 CB THR A 32 7.613 -12.366 -0.053 1.00 0.00 C ATOM 486 OG1 THR A 32 8.477 -12.333 -1.180 1.00 0.00 O ATOM 487 CG2 THR A 32 7.812 -13.678 0.707 1.00 0.00 C ATOM 0 H THR A 32 6.860 -10.542 -1.569 1.00 0.00 H new ATOM 0 HA THR A 32 5.907 -13.144 -1.109 1.00 0.00 H new ATOM 0 HB THR A 32 7.843 -11.529 0.606 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.408 -12.398 -0.881 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.847 -13.752 1.041 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.149 -13.702 1.572 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.582 -14.517 0.051 1.00 0.00 H new ATOM 495 N ILE A 33 5.308 -11.089 1.422 1.00 0.00 N ATOM 496 CA ILE A 33 4.420 -10.944 2.607 1.00 0.00 C ATOM 497 C ILE A 33 2.965 -10.914 2.126 1.00 0.00 C ATOM 498 O ILE A 33 2.050 -11.270 2.843 1.00 0.00 O ATOM 499 CB ILE A 33 4.778 -9.648 3.356 1.00 0.00 C ATOM 500 CG1 ILE A 33 4.429 -9.801 4.839 1.00 0.00 C ATOM 501 CG2 ILE A 33 4.009 -8.455 2.773 1.00 0.00 C ATOM 502 CD1 ILE A 33 2.965 -10.216 4.982 1.00 0.00 C ATOM 0 H ILE A 33 5.941 -10.307 1.252 1.00 0.00 H new ATOM 0 HA ILE A 33 4.551 -11.782 3.291 1.00 0.00 H new ATOM 0 HB ILE A 33 5.847 -9.465 3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.076 -10.548 5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.604 -8.861 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.277 -7.549 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.266 -8.336 1.720 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.938 -8.632 2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.719 -10.324 6.038 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.326 -9.454 4.537 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.805 -11.166 4.473 1.00 0.00 H new ATOM 514 N PHE A 34 2.750 -10.500 0.906 1.00 0.00 N ATOM 515 CA PHE A 34 1.365 -10.453 0.360 1.00 0.00 C ATOM 516 C PHE A 34 0.828 -11.889 0.242 1.00 0.00 C ATOM 517 O PHE A 34 0.236 -12.410 1.165 1.00 0.00 O ATOM 518 CB PHE A 34 1.384 -9.810 -1.033 1.00 0.00 C ATOM 519 CG PHE A 34 0.860 -8.388 -0.991 1.00 0.00 C ATOM 520 CD1 PHE A 34 -0.454 -8.127 -0.583 1.00 0.00 C ATOM 521 CD2 PHE A 34 1.690 -7.330 -1.384 1.00 0.00 C ATOM 522 CE1 PHE A 34 -0.935 -6.813 -0.564 1.00 0.00 C ATOM 523 CE2 PHE A 34 1.207 -6.018 -1.368 1.00 0.00 C ATOM 524 CZ PHE A 34 -0.104 -5.758 -0.955 1.00 0.00 C ATOM 0 H PHE A 34 3.478 -10.191 0.262 1.00 0.00 H new ATOM 0 HA PHE A 34 0.729 -9.867 1.023 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.402 -9.813 -1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.778 -10.403 -1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.097 -8.941 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.704 -7.528 -1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.948 -6.613 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.847 -5.204 -1.675 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.474 -4.744 -0.938 1.00 0.00 H new ATOM 534 N GLY A 35 1.057 -12.512 -0.895 1.00 0.00 N ATOM 535 CA GLY A 35 0.604 -13.920 -1.161 1.00 0.00 C ATOM 536 C GLY A 35 -0.345 -14.452 -0.083 1.00 0.00 C ATOM 537 O GLY A 35 -0.074 -15.458 0.544 1.00 0.00 O ATOM 0 H GLY A 35 1.557 -12.086 -1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.105 -13.959 -2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.476 -14.571 -1.225 1.00 0.00 H new ATOM 541 N LYS A 36 -1.459 -13.805 0.143 1.00 0.00 N ATOM 542 CA LYS A 36 -2.399 -14.322 1.190 1.00 0.00 C ATOM 543 C LYS A 36 -3.822 -13.748 1.032 1.00 0.00 C ATOM 544 O LYS A 36 -4.672 -13.981 1.867 1.00 0.00 O ATOM 545 CB LYS A 36 -1.862 -13.954 2.574 1.00 0.00 C ATOM 546 CG LYS A 36 -2.104 -15.118 3.538 1.00 0.00 C ATOM 547 CD LYS A 36 -1.802 -14.673 4.971 1.00 0.00 C ATOM 548 CE LYS A 36 -2.872 -15.229 5.914 1.00 0.00 C ATOM 549 NZ LYS A 36 -2.935 -14.388 7.143 1.00 0.00 N ATOM 0 H LYS A 36 -1.757 -12.957 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.462 -15.404 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.797 -13.731 2.516 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.356 -13.054 2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.137 -15.457 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.471 -15.963 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.816 -15.027 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.781 -13.585 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.842 -15.238 5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.639 -16.261 6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.662 -14.765 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.011 -14.401 7.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.176 -13.410 6.883 1.00 0.00 H new ATOM 563 N TYR A 37 -4.096 -12.990 0.004 1.00 0.00 N ATOM 564 CA TYR A 37 -5.476 -12.408 -0.140 1.00 0.00 C ATOM 565 C TYR A 37 -5.812 -12.204 -1.622 1.00 0.00 C ATOM 566 O TYR A 37 -6.454 -13.031 -2.240 1.00 0.00 O ATOM 567 CB TYR A 37 -5.560 -11.056 0.603 1.00 0.00 C ATOM 568 CG TYR A 37 -4.254 -10.796 1.307 1.00 0.00 C ATOM 569 CD1 TYR A 37 -3.079 -10.720 0.558 1.00 0.00 C ATOM 570 CD2 TYR A 37 -4.210 -10.675 2.701 1.00 0.00 C ATOM 571 CE1 TYR A 37 -1.863 -10.530 1.193 1.00 0.00 C ATOM 572 CE2 TYR A 37 -2.980 -10.471 3.339 1.00 0.00 C ATOM 573 CZ TYR A 37 -1.808 -10.402 2.575 1.00 0.00 C ATOM 574 OH TYR A 37 -0.589 -10.232 3.175 1.00 0.00 O ATOM 0 H TYR A 37 -3.438 -12.747 -0.737 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.195 -13.102 0.296 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.773 -10.253 -0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.378 -11.073 1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.118 -10.809 -0.518 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.119 -10.739 3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.954 -10.481 0.612 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.935 -10.368 4.413 1.00 0.00 H new ATOM 0 HH TYR A 37 0.057 -10.860 2.788 1.00 0.00 H new ATOM 584 N GLY A 38 -5.392 -11.109 -2.197 1.00 0.00 N ATOM 585 CA GLY A 38 -5.695 -10.854 -3.638 1.00 0.00 C ATOM 586 C GLY A 38 -4.436 -11.084 -4.473 1.00 0.00 C ATOM 587 O GLY A 38 -3.404 -11.468 -3.959 1.00 0.00 O ATOM 0 H GLY A 38 -4.852 -10.379 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.493 -11.515 -3.975 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.050 -9.832 -3.770 1.00 0.00 H new ATOM 591 N SER A 39 -4.506 -10.852 -5.758 1.00 0.00 N ATOM 592 CA SER A 39 -3.302 -11.064 -6.609 1.00 0.00 C ATOM 593 C SER A 39 -2.529 -9.758 -6.737 1.00 0.00 C ATOM 594 O SER A 39 -1.709 -9.585 -7.617 1.00 0.00 O ATOM 595 CB SER A 39 -3.723 -11.556 -7.995 1.00 0.00 C ATOM 596 OG SER A 39 -4.225 -12.882 -7.890 1.00 0.00 O ATOM 0 H SER A 39 -5.338 -10.528 -6.250 1.00 0.00 H new ATOM 0 HA SER A 39 -2.664 -11.816 -6.145 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.486 -10.898 -8.411 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.873 -11.530 -8.677 1.00 0.00 H new ATOM 0 HG SER A 39 -4.497 -13.200 -8.776 1.00 0.00 H new ATOM 602 N ILE A 40 -2.774 -8.861 -5.836 1.00 0.00 N ATOM 603 CA ILE A 40 -2.057 -7.548 -5.840 1.00 0.00 C ATOM 604 C ILE A 40 -2.156 -6.904 -7.240 1.00 0.00 C ATOM 605 O ILE A 40 -2.524 -7.542 -8.204 1.00 0.00 O ATOM 606 CB ILE A 40 -0.588 -7.748 -5.415 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.313 -9.235 -5.093 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.310 -6.893 -4.176 1.00 0.00 C ATOM 609 CD1 ILE A 40 0.802 -9.356 -4.052 1.00 0.00 C ATOM 0 H ILE A 40 -3.450 -8.975 -5.081 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.524 -6.874 -5.122 1.00 0.00 H new ATOM 0 HB ILE A 40 0.066 -7.446 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.222 -9.707 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.030 -9.765 -6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.727 -7.027 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.486 -5.843 -4.411 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.973 -7.199 -3.366 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.985 -10.408 -3.835 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.714 -8.902 -4.441 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.503 -8.844 -3.137 1.00 0.00 H new ATOM 621 N VAL A 41 -1.891 -5.623 -7.347 1.00 0.00 N ATOM 622 CA VAL A 41 -2.038 -4.935 -8.686 1.00 0.00 C ATOM 623 C VAL A 41 -0.829 -4.024 -9.076 1.00 0.00 C ATOM 624 O VAL A 41 -1.004 -2.899 -9.495 1.00 0.00 O ATOM 625 CB VAL A 41 -3.339 -4.106 -8.666 1.00 0.00 C ATOM 626 CG1 VAL A 41 -4.366 -4.767 -7.739 1.00 0.00 C ATOM 627 CG2 VAL A 41 -3.092 -2.680 -8.156 1.00 0.00 C ATOM 0 H VAL A 41 -1.583 -5.024 -6.581 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.070 -5.715 -9.447 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.710 -4.063 -9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.282 -4.176 -7.730 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.586 -5.772 -8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.961 -4.823 -6.729 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.031 -2.126 -8.156 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.694 -2.720 -7.142 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.375 -2.180 -8.807 1.00 0.00 H new ATOM 637 N GLN A 42 0.380 -4.518 -8.978 1.00 0.00 N ATOM 638 CA GLN A 42 1.604 -3.712 -9.376 1.00 0.00 C ATOM 639 C GLN A 42 2.104 -2.804 -8.229 1.00 0.00 C ATOM 640 O GLN A 42 1.707 -1.661 -8.112 1.00 0.00 O ATOM 641 CB GLN A 42 1.273 -2.844 -10.593 1.00 0.00 C ATOM 642 CG GLN A 42 2.425 -2.909 -11.596 1.00 0.00 C ATOM 643 CD GLN A 42 3.567 -2.010 -11.122 1.00 0.00 C ATOM 644 OE1 GLN A 42 3.374 -0.833 -10.893 1.00 0.00 O ATOM 645 NE2 GLN A 42 4.758 -2.520 -10.960 1.00 0.00 N ATOM 0 H GLN A 42 0.586 -5.457 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 42 2.398 -4.420 -9.614 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.351 -3.190 -11.060 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.105 -1.813 -10.282 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.775 -3.936 -11.697 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.082 -2.590 -12.580 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.920 -3.509 -11.152 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.526 -1.930 -10.641 1.00 0.00 H new ATOM 654 N LYS A 43 2.990 -3.304 -7.397 1.00 0.00 N ATOM 655 CA LYS A 43 3.537 -2.484 -6.256 1.00 0.00 C ATOM 656 C LYS A 43 4.604 -1.520 -6.787 1.00 0.00 C ATOM 657 O LYS A 43 5.346 -1.841 -7.694 1.00 0.00 O ATOM 658 CB LYS A 43 4.166 -3.411 -5.194 1.00 0.00 C ATOM 659 CG LYS A 43 4.779 -4.653 -5.856 1.00 0.00 C ATOM 660 CD LYS A 43 5.530 -5.494 -4.818 1.00 0.00 C ATOM 661 CE LYS A 43 5.925 -6.830 -5.446 1.00 0.00 C ATOM 662 NZ LYS A 43 6.716 -6.587 -6.686 1.00 0.00 N ATOM 0 H LYS A 43 3.363 -4.252 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 43 2.724 -1.918 -5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.934 -2.871 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.407 -3.714 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.994 -5.251 -6.319 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.461 -4.351 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.418 -4.963 -4.475 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.901 -5.661 -3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.511 -7.417 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.033 -7.411 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.313 -7.415 -6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.069 -6.426 -7.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.319 -5.750 -6.555 1.00 0.00 H new ATOM 676 N ASN A 44 4.686 -0.336 -6.231 1.00 0.00 N ATOM 677 CA ASN A 44 5.704 0.648 -6.709 1.00 0.00 C ATOM 678 C ASN A 44 5.968 1.695 -5.618 1.00 0.00 C ATOM 679 O ASN A 44 5.073 2.394 -5.191 1.00 0.00 O ATOM 680 CB ASN A 44 5.180 1.349 -7.967 1.00 0.00 C ATOM 681 CG ASN A 44 3.712 1.734 -7.761 1.00 0.00 C ATOM 682 OD1 ASN A 44 3.234 1.769 -6.646 1.00 0.00 O ATOM 683 ND2 ASN A 44 2.974 2.026 -8.798 1.00 0.00 N ATOM 0 H ASN A 44 4.093 -0.010 -5.468 1.00 0.00 H new ATOM 0 HA ASN A 44 6.632 0.124 -6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.775 2.238 -8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.277 0.691 -8.830 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.995 2.284 -8.671 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.376 1.996 -9.735 1.00 0.00 H new ATOM 690 N ILE A 45 7.191 1.809 -5.162 1.00 0.00 N ATOM 691 CA ILE A 45 7.505 2.811 -4.097 1.00 0.00 C ATOM 692 C ILE A 45 7.767 4.183 -4.729 1.00 0.00 C ATOM 693 O ILE A 45 8.006 4.288 -5.915 1.00 0.00 O ATOM 694 CB ILE A 45 8.741 2.359 -3.317 1.00 0.00 C ATOM 695 CG1 ILE A 45 9.967 2.388 -4.234 1.00 0.00 C ATOM 696 CG2 ILE A 45 8.525 0.935 -2.807 1.00 0.00 C ATOM 697 CD1 ILE A 45 11.239 2.384 -3.383 1.00 0.00 C ATOM 0 H ILE A 45 7.984 1.252 -5.481 1.00 0.00 H new ATOM 0 HA ILE A 45 6.656 2.889 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 45 8.903 3.031 -2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.958 1.524 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.942 3.276 -4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.404 0.610 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.653 0.911 -2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.363 0.266 -3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.113 2.405 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.247 3.262 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.264 1.483 -2.771 1.00 0.00 H new ATOM 709 N LEU A 46 7.707 5.238 -3.951 1.00 0.00 N ATOM 710 CA LEU A 46 7.934 6.598 -4.524 1.00 0.00 C ATOM 711 C LEU A 46 8.667 7.492 -3.513 1.00 0.00 C ATOM 712 O LEU A 46 8.115 7.893 -2.508 1.00 0.00 O ATOM 713 CB LEU A 46 6.575 7.223 -4.838 1.00 0.00 C ATOM 714 CG LEU A 46 6.444 7.471 -6.340 1.00 0.00 C ATOM 715 CD1 LEU A 46 7.388 8.599 -6.757 1.00 0.00 C ATOM 716 CD2 LEU A 46 6.802 6.197 -7.107 1.00 0.00 C ATOM 0 H LEU A 46 7.512 5.214 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 46 8.541 6.512 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.776 6.563 -4.500 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.464 8.162 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 46 5.416 7.753 -6.569 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.294 8.775 -7.829 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.129 9.509 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 46 8.415 8.318 -6.524 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.707 6.378 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.828 5.910 -6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.126 5.394 -6.814 1.00 0.00 H new ATOM 728 N ARG A 47 9.902 7.829 -3.770 1.00 0.00 N ATOM 729 CA ARG A 47 10.626 8.711 -2.811 1.00 0.00 C ATOM 730 C ARG A 47 11.836 9.362 -3.492 1.00 0.00 C ATOM 731 O ARG A 47 11.716 10.382 -4.140 1.00 0.00 O ATOM 732 CB ARG A 47 11.074 7.897 -1.597 1.00 0.00 C ATOM 733 CG ARG A 47 11.741 8.828 -0.584 1.00 0.00 C ATOM 734 CD ARG A 47 10.697 9.787 -0.002 1.00 0.00 C ATOM 735 NE ARG A 47 10.528 10.956 -0.910 1.00 0.00 N ATOM 736 CZ ARG A 47 9.492 11.741 -0.778 1.00 0.00 C ATOM 737 NH1 ARG A 47 9.317 12.413 0.327 1.00 0.00 N ATOM 738 NH2 ARG A 47 8.624 11.847 -1.748 1.00 0.00 N ATOM 0 H ARG A 47 10.434 7.537 -4.590 1.00 0.00 H new ATOM 0 HA ARG A 47 9.952 9.501 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.218 7.399 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.770 7.117 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.199 8.245 0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.540 9.392 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.745 9.271 0.123 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.010 10.124 0.986 1.00 0.00 H new ATOM 0 HE ARG A 47 11.221 11.143 -1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.990 12.326 1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.508 13.026 0.429 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.755 11.317 -2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.815 12.460 -1.644 1.00 0.00 H new ATOM 888 N GLY A 56 9.826 9.087 2.587 1.00 0.00 N ATOM 889 CA GLY A 56 9.576 7.753 1.968 1.00 0.00 C ATOM 890 C GLY A 56 8.071 7.536 1.797 1.00 0.00 C ATOM 891 O GLY A 56 7.366 7.244 2.741 1.00 0.00 O ATOM 0 HA2 GLY A 56 10.074 7.692 1.000 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.998 6.966 2.594 1.00 0.00 H new ATOM 895 N VAL A 57 7.573 7.670 0.597 1.00 0.00 N ATOM 896 CA VAL A 57 6.115 7.462 0.369 1.00 0.00 C ATOM 897 C VAL A 57 5.929 6.483 -0.793 1.00 0.00 C ATOM 898 O VAL A 57 6.196 6.795 -1.935 1.00 0.00 O ATOM 899 CB VAL A 57 5.456 8.803 0.031 1.00 0.00 C ATOM 900 CG1 VAL A 57 6.314 9.554 -0.988 1.00 0.00 C ATOM 901 CG2 VAL A 57 4.066 8.555 -0.558 1.00 0.00 C ATOM 0 H VAL A 57 8.112 7.914 -0.234 1.00 0.00 H new ATOM 0 HA VAL A 57 5.651 7.054 1.267 1.00 0.00 H new ATOM 0 HB VAL A 57 5.366 9.400 0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.844 10.508 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.304 9.733 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.407 8.957 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.597 9.509 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.156 7.956 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.453 8.022 0.169 1.00 0.00 H new ATOM 911 N ALA A 58 5.485 5.291 -0.515 1.00 0.00 N ATOM 912 CA ALA A 58 5.304 4.301 -1.611 1.00 0.00 C ATOM 913 C ALA A 58 3.818 4.060 -1.865 1.00 0.00 C ATOM 914 O ALA A 58 2.959 4.601 -1.197 1.00 0.00 O ATOM 915 CB ALA A 58 5.959 2.977 -1.213 1.00 0.00 C ATOM 0 H ALA A 58 5.241 4.960 0.418 1.00 0.00 H new ATOM 0 HA ALA A 58 5.766 4.692 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.827 2.250 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.023 3.136 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.494 2.600 -0.302 1.00 0.00 H new ATOM 921 N PHE A 59 3.519 3.237 -2.827 1.00 0.00 N ATOM 922 CA PHE A 59 2.101 2.931 -3.142 1.00 0.00 C ATOM 923 C PHE A 59 1.962 1.424 -3.349 1.00 0.00 C ATOM 924 O PHE A 59 2.439 0.880 -4.325 1.00 0.00 O ATOM 925 CB PHE A 59 1.691 3.651 -4.429 1.00 0.00 C ATOM 926 CG PHE A 59 1.882 5.139 -4.270 1.00 0.00 C ATOM 927 CD1 PHE A 59 3.164 5.665 -4.076 1.00 0.00 C ATOM 928 CD2 PHE A 59 0.775 5.993 -4.324 1.00 0.00 C ATOM 929 CE1 PHE A 59 3.339 7.048 -3.934 1.00 0.00 C ATOM 930 CE2 PHE A 59 0.949 7.375 -4.182 1.00 0.00 C ATOM 931 CZ PHE A 59 2.230 7.902 -3.987 1.00 0.00 C ATOM 0 H PHE A 59 4.203 2.759 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 59 1.462 3.263 -2.324 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.288 3.287 -5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.649 3.432 -4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.018 5.005 -4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.214 5.586 -4.475 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.328 7.455 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.094 8.034 -4.223 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.364 8.968 -3.877 1.00 0.00 H new ATOM 941 N VAL A 60 1.309 0.742 -2.453 1.00 0.00 N ATOM 942 CA VAL A 60 1.151 -0.723 -2.633 1.00 0.00 C ATOM 943 C VAL A 60 0.052 -0.948 -3.661 1.00 0.00 C ATOM 944 O VAL A 60 -0.772 -0.096 -3.914 1.00 0.00 O ATOM 945 CB VAL A 60 0.806 -1.388 -1.275 1.00 0.00 C ATOM 946 CG1 VAL A 60 -0.486 -2.220 -1.362 1.00 0.00 C ATOM 947 CG2 VAL A 60 1.952 -2.311 -0.858 1.00 0.00 C ATOM 0 H VAL A 60 0.882 1.131 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 60 2.077 -1.176 -2.988 1.00 0.00 H new ATOM 0 HB VAL A 60 0.659 -0.594 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.695 -2.670 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.316 -1.574 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.363 -3.006 -2.108 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.713 -2.780 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.093 -3.082 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.869 -1.730 -0.757 1.00 0.00 H new ATOM 957 N ARG A 61 0.070 -2.078 -4.276 1.00 0.00 N ATOM 958 CA ARG A 61 -0.928 -2.382 -5.319 1.00 0.00 C ATOM 959 C ARG A 61 -2.087 -3.169 -4.727 1.00 0.00 C ATOM 960 O ARG A 61 -1.956 -4.319 -4.386 1.00 0.00 O ATOM 961 CB ARG A 61 -0.235 -3.226 -6.372 1.00 0.00 C ATOM 962 CG ARG A 61 0.787 -4.161 -5.688 1.00 0.00 C ATOM 963 CD ARG A 61 1.130 -5.354 -6.572 1.00 0.00 C ATOM 964 NE ARG A 61 1.966 -6.327 -5.807 1.00 0.00 N ATOM 965 CZ ARG A 61 2.372 -7.432 -6.377 1.00 0.00 C ATOM 966 NH1 ARG A 61 2.109 -7.656 -7.635 1.00 0.00 N ATOM 967 NH2 ARG A 61 3.049 -8.312 -5.686 1.00 0.00 N ATOM 0 H ARG A 61 0.746 -2.821 -4.099 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.322 -1.460 -5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.969 -3.813 -6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.269 -2.584 -7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.695 -3.604 -5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.381 -4.514 -4.740 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.216 -5.838 -6.916 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.667 -5.018 -7.459 1.00 0.00 H new ATOM 0 HE ARG A 61 2.221 -6.130 -4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.585 -6.968 -8.177 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.427 -8.519 -8.077 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.260 -8.136 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.366 -9.174 -6.129 1.00 0.00 H new ATOM 981 N TYR A 62 -3.223 -2.557 -4.605 1.00 0.00 N ATOM 982 CA TYR A 62 -4.391 -3.276 -4.039 1.00 0.00 C ATOM 983 C TYR A 62 -5.655 -2.516 -4.408 1.00 0.00 C ATOM 984 O TYR A 62 -6.276 -1.901 -3.567 1.00 0.00 O ATOM 985 CB TYR A 62 -4.251 -3.324 -2.519 1.00 0.00 C ATOM 986 CG TYR A 62 -4.261 -4.752 -2.021 1.00 0.00 C ATOM 987 CD1 TYR A 62 -3.810 -5.805 -2.833 1.00 0.00 C ATOM 988 CD2 TYR A 62 -4.717 -5.021 -0.727 1.00 0.00 C ATOM 989 CE1 TYR A 62 -3.823 -7.115 -2.348 1.00 0.00 C ATOM 990 CE2 TYR A 62 -4.728 -6.332 -0.246 1.00 0.00 C ATOM 991 CZ TYR A 62 -4.282 -7.379 -1.055 1.00 0.00 C ATOM 992 OH TYR A 62 -4.292 -8.671 -0.580 1.00 0.00 O ATOM 0 H TYR A 62 -3.396 -1.588 -4.873 1.00 0.00 H new ATOM 0 HA TYR A 62 -4.442 -4.291 -4.434 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.323 -2.837 -2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -5.067 -2.768 -2.057 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.453 -5.602 -3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -5.061 -4.213 -0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.478 -7.925 -2.973 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.082 -6.536 0.754 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.442 -8.861 -0.132 1.00 0.00 H new ATOM 1002 N ASN A 63 -6.049 -2.534 -5.652 1.00 0.00 N ATOM 1003 CA ASN A 63 -7.267 -1.779 -6.004 1.00 0.00 C ATOM 1004 C ASN A 63 -8.479 -2.457 -5.379 1.00 0.00 C ATOM 1005 O ASN A 63 -8.678 -2.345 -4.187 1.00 0.00 O ATOM 1006 CB ASN A 63 -7.437 -1.638 -7.513 1.00 0.00 C ATOM 1007 CG ASN A 63 -6.822 -2.820 -8.231 1.00 0.00 C ATOM 1008 OD1 ASN A 63 -7.309 -3.928 -8.138 1.00 0.00 O ATOM 1009 ND2 ASN A 63 -5.761 -2.625 -8.962 1.00 0.00 N ATOM 0 H ASN A 63 -5.589 -3.027 -6.417 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.171 -0.769 -5.606 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.496 -1.567 -7.760 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.967 -0.715 -7.853 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.335 -3.406 -9.461 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.357 -1.691 -9.036 1.00 0.00 H new ATOM 1016 N LYS A 64 -9.276 -3.154 -6.164 1.00 0.00 N ATOM 1017 CA LYS A 64 -10.500 -3.855 -5.627 1.00 0.00 C ATOM 1018 C LYS A 64 -10.757 -3.443 -4.175 1.00 0.00 C ATOM 1019 O LYS A 64 -10.227 -4.035 -3.260 1.00 0.00 O ATOM 1020 CB LYS A 64 -10.290 -5.369 -5.701 1.00 0.00 C ATOM 1021 CG LYS A 64 -11.349 -5.983 -6.620 1.00 0.00 C ATOM 1022 CD LYS A 64 -10.772 -7.212 -7.324 1.00 0.00 C ATOM 1023 CE LYS A 64 -11.914 -8.076 -7.862 1.00 0.00 C ATOM 1024 NZ LYS A 64 -12.944 -7.202 -8.495 1.00 0.00 N ATOM 0 H LYS A 64 -9.130 -3.269 -7.167 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.363 -3.572 -6.229 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.292 -5.591 -6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.359 -5.806 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.228 -6.264 -6.040 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.674 -5.249 -7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.120 -6.903 -8.141 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.162 -7.789 -6.629 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.531 -8.791 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.360 -8.654 -7.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.519 -7.764 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.558 -6.799 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.475 -6.433 -9.014 1.00 0.00 H new ATOM 1038 N ARG A 65 -11.525 -2.401 -3.974 1.00 0.00 N ATOM 1039 CA ARG A 65 -11.796 -1.886 -2.595 1.00 0.00 C ATOM 1040 C ARG A 65 -11.737 -3.017 -1.562 1.00 0.00 C ATOM 1041 O ARG A 65 -11.243 -2.835 -0.468 1.00 0.00 O ATOM 1042 CB ARG A 65 -13.176 -1.221 -2.563 1.00 0.00 C ATOM 1043 CG ARG A 65 -14.268 -2.256 -2.851 1.00 0.00 C ATOM 1044 CD ARG A 65 -14.275 -2.587 -4.344 1.00 0.00 C ATOM 1045 NE ARG A 65 -15.586 -3.192 -4.713 1.00 0.00 N ATOM 1046 CZ ARG A 65 -15.630 -4.386 -5.237 1.00 0.00 C ATOM 1047 NH1 ARG A 65 -14.847 -5.327 -4.785 1.00 0.00 N ATOM 1048 NH2 ARG A 65 -16.456 -4.639 -6.215 1.00 0.00 N ATOM 0 H ARG A 65 -11.983 -1.877 -4.719 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.028 -1.156 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -13.345 -0.764 -1.588 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -13.219 -0.421 -3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.090 -3.160 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -15.241 -1.868 -2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -14.102 -1.683 -4.928 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.465 -3.278 -4.578 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.449 -2.672 -4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.200 -5.129 -4.022 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.882 -6.260 -5.195 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -17.067 -3.903 -6.570 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.491 -5.572 -6.625 1.00 0.00 H new ATOM 1062 N GLU A 66 -12.212 -4.184 -1.898 1.00 0.00 N ATOM 1063 CA GLU A 66 -12.145 -5.307 -0.923 1.00 0.00 C ATOM 1064 C GLU A 66 -10.673 -5.625 -0.660 1.00 0.00 C ATOM 1065 O GLU A 66 -10.197 -5.566 0.459 1.00 0.00 O ATOM 1066 CB GLU A 66 -12.843 -6.541 -1.501 1.00 0.00 C ATOM 1067 CG GLU A 66 -12.760 -7.691 -0.494 1.00 0.00 C ATOM 1068 CD GLU A 66 -13.500 -8.913 -1.043 1.00 0.00 C ATOM 1069 OE1 GLU A 66 -12.894 -9.658 -1.796 1.00 0.00 O ATOM 1070 OE2 GLU A 66 -14.658 -9.085 -0.700 1.00 0.00 O ATOM 0 H GLU A 66 -12.640 -4.407 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.643 -5.027 0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.885 -6.312 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.373 -6.831 -2.441 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.717 -7.942 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.197 -7.386 0.457 1.00 0.00 H new ATOM 1077 N GLU A 67 -9.945 -5.952 -1.690 1.00 0.00 N ATOM 1078 CA GLU A 67 -8.501 -6.263 -1.519 1.00 0.00 C ATOM 1079 C GLU A 67 -7.814 -5.105 -0.789 1.00 0.00 C ATOM 1080 O GLU A 67 -7.078 -5.307 0.154 1.00 0.00 O ATOM 1081 CB GLU A 67 -7.858 -6.457 -2.894 1.00 0.00 C ATOM 1082 CG GLU A 67 -8.544 -7.618 -3.619 1.00 0.00 C ATOM 1083 CD GLU A 67 -7.703 -8.036 -4.827 1.00 0.00 C ATOM 1084 OE1 GLU A 67 -7.123 -7.162 -5.451 1.00 0.00 O ATOM 1085 OE2 GLU A 67 -7.652 -9.223 -5.106 1.00 0.00 O ATOM 0 H GLU A 67 -10.291 -6.017 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.390 -7.176 -0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.948 -5.543 -3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.793 -6.661 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.668 -8.462 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.541 -7.320 -3.943 1.00 0.00 H new ATOM 1092 N ALA A 68 -8.048 -3.889 -1.209 1.00 0.00 N ATOM 1093 CA ALA A 68 -7.404 -2.734 -0.522 1.00 0.00 C ATOM 1094 C ALA A 68 -7.621 -2.876 0.985 1.00 0.00 C ATOM 1095 O ALA A 68 -6.738 -2.610 1.776 1.00 0.00 O ATOM 1096 CB ALA A 68 -8.021 -1.422 -1.025 1.00 0.00 C ATOM 0 H ALA A 68 -8.654 -3.648 -1.993 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.336 -2.720 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.547 -0.580 -0.520 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.865 -1.335 -2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -9.090 -1.418 -0.812 1.00 0.00 H new ATOM 1102 N GLN A 69 -8.783 -3.316 1.389 1.00 0.00 N ATOM 1103 CA GLN A 69 -9.040 -3.495 2.845 1.00 0.00 C ATOM 1104 C GLN A 69 -8.045 -4.520 3.390 1.00 0.00 C ATOM 1105 O GLN A 69 -7.497 -4.367 4.463 1.00 0.00 O ATOM 1106 CB GLN A 69 -10.468 -4.005 3.054 1.00 0.00 C ATOM 1107 CG GLN A 69 -10.891 -3.772 4.506 1.00 0.00 C ATOM 1108 CD GLN A 69 -12.354 -3.329 4.547 1.00 0.00 C ATOM 1109 OE1 GLN A 69 -12.686 -2.342 5.173 1.00 0.00 O ATOM 1110 NE2 GLN A 69 -13.252 -4.024 3.900 1.00 0.00 N ATOM 0 H GLN A 69 -9.561 -3.558 0.776 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.922 -2.545 3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.151 -3.490 2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.524 -5.067 2.815 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.761 -4.686 5.085 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.257 -3.012 4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.974 -4.853 3.374 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.231 -3.738 3.921 1.00 0.00 H new ATOM 1119 N GLU A 70 -7.811 -5.566 2.650 1.00 0.00 N ATOM 1120 CA GLU A 70 -6.849 -6.610 3.103 1.00 0.00 C ATOM 1121 C GLU A 70 -5.490 -5.974 3.400 1.00 0.00 C ATOM 1122 O GLU A 70 -4.900 -6.209 4.434 1.00 0.00 O ATOM 1123 CB GLU A 70 -6.670 -7.650 1.997 1.00 0.00 C ATOM 1124 CG GLU A 70 -7.628 -8.821 2.226 1.00 0.00 C ATOM 1125 CD GLU A 70 -9.070 -8.311 2.220 1.00 0.00 C ATOM 1126 OE1 GLU A 70 -9.443 -7.656 1.261 1.00 0.00 O ATOM 1127 OE2 GLU A 70 -9.778 -8.583 3.177 1.00 0.00 O ATOM 0 H GLU A 70 -8.247 -5.745 1.745 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.239 -7.082 4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.861 -7.197 1.024 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.640 -8.008 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.494 -9.572 1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.406 -9.305 3.177 1.00 0.00 H new ATOM 1134 N ALA A 71 -4.982 -5.179 2.496 1.00 0.00 N ATOM 1135 CA ALA A 71 -3.655 -4.542 2.730 1.00 0.00 C ATOM 1136 C ALA A 71 -3.795 -3.474 3.812 1.00 0.00 C ATOM 1137 O ALA A 71 -2.824 -2.993 4.363 1.00 0.00 O ATOM 1138 CB ALA A 71 -3.156 -3.908 1.432 1.00 0.00 C ATOM 0 H ALA A 71 -5.427 -4.944 1.609 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.937 -5.294 3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.186 -3.442 1.604 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.059 -4.677 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.867 -3.152 1.099 1.00 0.00 H new ATOM 1144 N ILE A 72 -4.998 -3.105 4.133 1.00 0.00 N ATOM 1145 CA ILE A 72 -5.196 -2.086 5.192 1.00 0.00 C ATOM 1146 C ILE A 72 -4.939 -2.744 6.550 1.00 0.00 C ATOM 1147 O ILE A 72 -4.009 -2.403 7.253 1.00 0.00 O ATOM 1148 CB ILE A 72 -6.633 -1.567 5.128 1.00 0.00 C ATOM 1149 CG1 ILE A 72 -6.814 -0.759 3.828 1.00 0.00 C ATOM 1150 CG2 ILE A 72 -6.933 -0.700 6.359 1.00 0.00 C ATOM 1151 CD1 ILE A 72 -6.588 0.739 4.080 1.00 0.00 C ATOM 0 H ILE A 72 -5.853 -3.465 3.708 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.510 -1.251 5.051 1.00 0.00 H new ATOM 0 HB ILE A 72 -7.332 -2.403 5.128 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.113 -1.115 3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.817 -0.918 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.958 -0.334 6.305 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -6.807 -1.296 7.263 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.247 0.147 6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -6.721 1.289 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.306 1.096 4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.576 0.897 4.453 1.00 0.00 H new ATOM 1163 N SER A 73 -5.758 -3.693 6.913 1.00 0.00 N ATOM 1164 CA SER A 73 -5.578 -4.384 8.221 1.00 0.00 C ATOM 1165 C SER A 73 -4.471 -5.439 8.121 1.00 0.00 C ATOM 1166 O SER A 73 -4.134 -6.086 9.093 1.00 0.00 O ATOM 1167 CB SER A 73 -6.890 -5.071 8.603 1.00 0.00 C ATOM 1168 OG SER A 73 -7.059 -5.015 10.013 1.00 0.00 O ATOM 0 H SER A 73 -6.548 -4.021 6.357 1.00 0.00 H new ATOM 0 HA SER A 73 -5.299 -3.650 8.976 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.728 -4.582 8.106 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.881 -6.108 8.268 1.00 0.00 H new ATOM 0 HG SER A 73 -7.900 -5.453 10.259 1.00 0.00 H new ATOM 1174 N ALA A 74 -3.907 -5.633 6.960 1.00 0.00 N ATOM 1175 CA ALA A 74 -2.834 -6.661 6.826 1.00 0.00 C ATOM 1176 C ALA A 74 -1.515 -6.000 6.417 1.00 0.00 C ATOM 1177 O ALA A 74 -0.488 -6.222 7.025 1.00 0.00 O ATOM 1178 CB ALA A 74 -3.239 -7.688 5.766 1.00 0.00 C ATOM 0 H ALA A 74 -4.140 -5.129 6.104 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.699 -7.158 7.787 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.455 -8.439 5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.169 -8.172 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.382 -7.186 4.809 1.00 0.00 H new ATOM 1184 N LEU A 75 -1.530 -5.194 5.391 1.00 0.00 N ATOM 1185 CA LEU A 75 -0.267 -4.534 4.953 1.00 0.00 C ATOM 1186 C LEU A 75 0.031 -3.333 5.860 1.00 0.00 C ATOM 1187 O LEU A 75 1.172 -2.957 6.033 1.00 0.00 O ATOM 1188 CB LEU A 75 -0.399 -4.074 3.495 1.00 0.00 C ATOM 1189 CG LEU A 75 0.298 -5.082 2.573 1.00 0.00 C ATOM 1190 CD1 LEU A 75 -0.696 -6.164 2.146 1.00 0.00 C ATOM 1191 CD2 LEU A 75 0.819 -4.361 1.326 1.00 0.00 C ATOM 0 H LEU A 75 -2.357 -4.965 4.840 1.00 0.00 H new ATOM 0 HA LEU A 75 0.555 -5.246 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.451 -3.986 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.045 -3.086 3.373 1.00 0.00 H new ATOM 0 HG LEU A 75 1.130 -5.540 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.197 -6.878 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.072 -6.682 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.528 -5.704 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.314 -5.078 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.015 -3.902 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.530 -3.589 1.622 1.00 0.00 H new ATOM 1203 N ASN A 76 -0.971 -2.733 6.463 1.00 0.00 N ATOM 1204 CA ASN A 76 -0.685 -1.579 7.365 1.00 0.00 C ATOM 1205 C ASN A 76 0.463 -1.977 8.290 1.00 0.00 C ATOM 1206 O ASN A 76 0.285 -2.726 9.230 1.00 0.00 O ATOM 1207 CB ASN A 76 -1.924 -1.240 8.198 1.00 0.00 C ATOM 1208 CG ASN A 76 -1.549 -0.226 9.282 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -0.418 0.215 9.353 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -2.455 0.166 10.136 1.00 0.00 N ATOM 0 H ASN A 76 -1.954 -2.989 6.370 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.416 -0.702 6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -2.705 -0.831 7.557 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -2.327 -2.144 8.655 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.214 0.841 10.861 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.404 -0.203 10.078 1.00 0.00 H new ATOM 1217 N ASN A 77 1.646 -1.508 8.012 1.00 0.00 N ATOM 1218 CA ASN A 77 2.815 -1.887 8.850 1.00 0.00 C ATOM 1219 C ASN A 77 3.174 -3.341 8.540 1.00 0.00 C ATOM 1220 O ASN A 77 2.638 -4.259 9.128 1.00 0.00 O ATOM 1221 CB ASN A 77 2.470 -1.750 10.338 1.00 0.00 C ATOM 1222 CG ASN A 77 1.772 -0.411 10.584 1.00 0.00 C ATOM 1223 OD1 ASN A 77 1.867 0.495 9.781 1.00 0.00 O ATOM 1224 ND2 ASN A 77 1.070 -0.245 11.673 1.00 0.00 N ATOM 0 H ASN A 77 1.854 -0.877 7.238 1.00 0.00 H new ATOM 0 HA ASN A 77 3.656 -1.230 8.629 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.823 -2.571 10.648 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.377 -1.814 10.939 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.603 0.645 11.848 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.989 -1.005 12.348 1.00 0.00 H new ATOM 1231 N VAL A 78 4.067 -3.557 7.609 1.00 0.00 N ATOM 1232 CA VAL A 78 4.453 -4.951 7.258 1.00 0.00 C ATOM 1233 C VAL A 78 5.563 -5.409 8.208 1.00 0.00 C ATOM 1234 O VAL A 78 6.616 -5.853 7.796 1.00 0.00 O ATOM 1235 CB VAL A 78 4.940 -5.002 5.803 1.00 0.00 C ATOM 1236 CG1 VAL A 78 5.980 -3.905 5.572 1.00 0.00 C ATOM 1237 CG2 VAL A 78 5.571 -6.369 5.524 1.00 0.00 C ATOM 0 H VAL A 78 4.544 -2.828 7.079 1.00 0.00 H new ATOM 0 HA VAL A 78 3.594 -5.614 7.358 1.00 0.00 H new ATOM 0 HB VAL A 78 4.095 -4.847 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.325 -3.942 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.532 -2.931 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.826 -4.058 6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 78 5.917 -6.406 4.491 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.416 -6.524 6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.830 -7.152 5.687 1.00 0.00 H new ATOM 1247 N ILE A 79 5.325 -5.293 9.485 1.00 0.00 N ATOM 1248 CA ILE A 79 6.340 -5.708 10.490 1.00 0.00 C ATOM 1249 C ILE A 79 5.644 -6.547 11.563 1.00 0.00 C ATOM 1250 O ILE A 79 4.538 -6.240 11.959 1.00 0.00 O ATOM 1251 CB ILE A 79 6.955 -4.460 11.133 1.00 0.00 C ATOM 1252 CG1 ILE A 79 5.860 -3.415 11.376 1.00 0.00 C ATOM 1253 CG2 ILE A 79 8.017 -3.872 10.202 1.00 0.00 C ATOM 1254 CD1 ILE A 79 5.062 -3.793 12.624 1.00 0.00 C ATOM 0 H ILE A 79 4.459 -4.924 9.878 1.00 0.00 H new ATOM 0 HA ILE A 79 7.128 -6.291 10.013 1.00 0.00 H new ATOM 0 HB ILE A 79 7.415 -4.735 12.082 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.306 -2.428 11.501 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.198 -3.358 10.512 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.453 -2.985 10.661 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.799 -4.612 10.028 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.557 -3.600 9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.283 -3.050 12.797 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.604 -4.772 12.481 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.729 -3.827 13.486 1.00 0.00 H new ATOM 1266 N PRO A 80 6.311 -7.584 11.994 1.00 0.00 N ATOM 1267 CA PRO A 80 5.693 -8.443 13.029 1.00 0.00 C ATOM 1268 C PRO A 80 4.980 -7.588 14.081 1.00 0.00 C ATOM 1269 O PRO A 80 3.769 -7.484 14.089 1.00 0.00 O ATOM 1270 CB PRO A 80 6.866 -9.204 13.648 1.00 0.00 C ATOM 1271 CG PRO A 80 8.123 -8.366 13.361 1.00 0.00 C ATOM 1272 CD PRO A 80 7.777 -7.448 12.177 1.00 0.00 C ATOM 0 HA PRO A 80 4.939 -9.115 12.618 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.722 -9.335 14.721 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.955 -10.200 13.215 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.406 -7.780 14.236 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.970 -9.008 13.119 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.053 -6.415 12.386 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.315 -7.746 11.277 1.00 0.00 H new ATOM 1280 N GLU A 81 5.718 -6.971 14.965 1.00 0.00 N ATOM 1281 CA GLU A 81 5.081 -6.122 16.013 1.00 0.00 C ATOM 1282 C GLU A 81 6.163 -5.594 16.960 1.00 0.00 C ATOM 1283 O GLU A 81 7.198 -6.207 17.135 1.00 0.00 O ATOM 1284 CB GLU A 81 4.075 -6.959 16.812 1.00 0.00 C ATOM 1285 CG GLU A 81 3.270 -6.047 17.743 1.00 0.00 C ATOM 1286 CD GLU A 81 2.048 -5.505 16.999 1.00 0.00 C ATOM 1287 OE1 GLU A 81 1.988 -5.678 15.793 1.00 0.00 O ATOM 1288 OE2 GLU A 81 1.193 -4.925 17.649 1.00 0.00 O ATOM 0 H GLU A 81 6.736 -7.019 15.006 1.00 0.00 H new ATOM 0 HA GLU A 81 4.564 -5.287 15.540 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.404 -7.485 16.133 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.599 -7.718 17.394 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.954 -6.601 18.627 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.893 -5.222 18.089 1.00 0.00 H new ATOM 1295 N GLY A 82 5.936 -4.464 17.573 1.00 0.00 N ATOM 1296 CA GLY A 82 6.953 -3.908 18.509 1.00 0.00 C ATOM 1297 C GLY A 82 7.489 -2.584 17.961 1.00 0.00 C ATOM 1298 O GLY A 82 8.375 -1.979 18.532 1.00 0.00 O ATOM 0 H GLY A 82 5.091 -3.903 17.466 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.510 -3.753 19.493 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.771 -4.618 18.636 1.00 0.00 H new ATOM 1302 N GLY A 83 6.961 -2.129 16.859 1.00 0.00 N ATOM 1303 CA GLY A 83 7.442 -0.844 16.279 1.00 0.00 C ATOM 1304 C GLY A 83 7.718 -1.024 14.786 1.00 0.00 C ATOM 1305 O GLY A 83 7.250 -1.960 14.170 1.00 0.00 O ATOM 0 H GLY A 83 6.218 -2.591 16.335 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.696 -0.064 16.429 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.349 -0.520 16.790 1.00 0.00 H new ATOM 1309 N SER A 84 8.474 -0.127 14.207 1.00 0.00 N ATOM 1310 CA SER A 84 8.798 -0.215 12.753 1.00 0.00 C ATOM 1311 C SER A 84 7.665 0.415 11.940 1.00 0.00 C ATOM 1312 O SER A 84 7.868 1.394 11.252 1.00 0.00 O ATOM 1313 CB SER A 84 8.982 -1.677 12.345 1.00 0.00 C ATOM 1314 OG SER A 84 9.625 -2.380 13.401 1.00 0.00 O ATOM 0 H SER A 84 8.886 0.673 14.687 1.00 0.00 H new ATOM 0 HA SER A 84 9.726 0.323 12.558 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.015 -2.130 12.126 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.577 -1.741 11.434 1.00 0.00 H new ATOM 0 HG SER A 84 8.954 -2.856 13.934 1.00 0.00 H new ATOM 1320 N GLN A 85 6.480 -0.139 12.032 1.00 0.00 N ATOM 1321 CA GLN A 85 5.297 0.406 11.281 1.00 0.00 C ATOM 1322 C GLN A 85 5.750 1.133 10.007 1.00 0.00 C ATOM 1323 O GLN A 85 6.082 2.302 10.055 1.00 0.00 O ATOM 1324 CB GLN A 85 4.539 1.388 12.178 1.00 0.00 C ATOM 1325 CG GLN A 85 5.520 2.096 13.114 1.00 0.00 C ATOM 1326 CD GLN A 85 4.849 3.329 13.724 1.00 0.00 C ATOM 1327 OE1 GLN A 85 4.410 3.299 14.855 1.00 0.00 O ATOM 1328 NE2 GLN A 85 4.753 4.420 13.014 1.00 0.00 N ATOM 0 H GLN A 85 6.276 -0.959 12.604 1.00 0.00 H new ATOM 0 HA GLN A 85 4.650 -0.424 10.999 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.012 2.121 11.567 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.786 0.857 12.760 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.840 1.416 13.903 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.414 2.391 12.565 1.00 0.00 H new ATOM 0 HE21 GLN A 85 5.122 4.444 12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.309 5.249 13.410 1.00 0.00 H new ATOM 1337 N PRO A 86 5.756 0.423 8.905 1.00 0.00 N ATOM 1338 CA PRO A 86 6.191 1.092 7.658 1.00 0.00 C ATOM 1339 C PRO A 86 5.153 0.925 6.541 1.00 0.00 C ATOM 1340 O PRO A 86 5.414 0.296 5.537 1.00 0.00 O ATOM 1341 CB PRO A 86 7.493 0.386 7.278 1.00 0.00 C ATOM 1342 CG PRO A 86 7.450 -0.996 7.956 1.00 0.00 C ATOM 1343 CD PRO A 86 6.409 -0.899 9.084 1.00 0.00 C ATOM 0 HA PRO A 86 6.316 2.166 7.799 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.579 0.286 6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 86 8.358 0.958 7.615 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.175 -1.771 7.240 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.429 -1.263 8.354 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.682 -1.708 9.018 1.00 0.00 H new ATOM 0 HD3 PRO A 86 6.882 -0.974 10.063 1.00 0.00 H new ATOM 1351 N LEU A 87 3.987 1.496 6.693 1.00 0.00 N ATOM 1352 CA LEU A 87 2.960 1.374 5.615 1.00 0.00 C ATOM 1353 C LEU A 87 1.640 1.999 6.066 1.00 0.00 C ATOM 1354 O LEU A 87 0.767 1.324 6.577 1.00 0.00 O ATOM 1355 CB LEU A 87 2.722 -0.100 5.278 1.00 0.00 C ATOM 1356 CG LEU A 87 3.059 -0.352 3.807 1.00 0.00 C ATOM 1357 CD1 LEU A 87 4.363 -1.144 3.707 1.00 0.00 C ATOM 1358 CD2 LEU A 87 1.930 -1.156 3.159 1.00 0.00 C ATOM 0 H LEU A 87 3.702 2.037 7.509 1.00 0.00 H new ATOM 0 HA LEU A 87 3.327 1.898 4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.338 -0.733 5.916 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.683 -0.365 5.474 1.00 0.00 H new ATOM 0 HG LEU A 87 3.173 0.603 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.601 -1.322 2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.170 -0.577 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.249 -2.099 4.221 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.167 -1.337 2.111 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.819 -2.109 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.998 -0.595 3.228 1.00 0.00 H new ATOM 1370 N SER A 88 1.470 3.274 5.852 1.00 0.00 N ATOM 1371 CA SER A 88 0.186 3.924 6.237 1.00 0.00 C ATOM 1372 C SER A 88 -0.820 3.636 5.127 1.00 0.00 C ATOM 1373 O SER A 88 -0.713 4.154 4.033 1.00 0.00 O ATOM 1374 CB SER A 88 0.384 5.435 6.389 1.00 0.00 C ATOM 1375 OG SER A 88 -0.641 5.966 7.225 1.00 0.00 O ATOM 0 H SER A 88 2.162 3.892 5.429 1.00 0.00 H new ATOM 0 HA SER A 88 -0.171 3.535 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 88 1.364 5.643 6.820 1.00 0.00 H new ATOM 0 HB3 SER A 88 0.357 5.916 5.411 1.00 0.00 H new ATOM 0 HG SER A 88 -0.514 6.933 7.324 1.00 0.00 H new ATOM 1381 N VAL A 89 -1.766 2.777 5.391 1.00 0.00 N ATOM 1382 CA VAL A 89 -2.763 2.399 4.347 1.00 0.00 C ATOM 1383 C VAL A 89 -3.914 3.411 4.275 1.00 0.00 C ATOM 1384 O VAL A 89 -4.308 3.999 5.261 1.00 0.00 O ATOM 1385 CB VAL A 89 -3.321 1.010 4.672 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -2.211 -0.032 4.530 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -3.849 0.995 6.110 1.00 0.00 C ATOM 0 H VAL A 89 -1.893 2.317 6.292 1.00 0.00 H new ATOM 0 HA VAL A 89 -2.263 2.392 3.378 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.132 0.776 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.608 -1.020 4.761 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.832 -0.023 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.400 0.204 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.246 0.007 6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.037 1.230 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.640 1.738 6.215 1.00 0.00 H new ATOM 1397 N ARG A 90 -4.447 3.593 3.093 1.00 0.00 N ATOM 1398 CA ARG A 90 -5.579 4.541 2.860 1.00 0.00 C ATOM 1399 C ARG A 90 -5.501 5.015 1.405 1.00 0.00 C ATOM 1400 O ARG A 90 -4.456 5.423 0.933 1.00 0.00 O ATOM 1401 CB ARG A 90 -5.483 5.750 3.802 1.00 0.00 C ATOM 1402 CG ARG A 90 -4.074 6.344 3.752 1.00 0.00 C ATOM 1403 CD ARG A 90 -4.065 7.689 4.483 1.00 0.00 C ATOM 1404 NE ARG A 90 -2.688 8.260 4.464 1.00 0.00 N ATOM 1405 CZ ARG A 90 -2.447 9.404 5.045 1.00 0.00 C ATOM 1406 NH1 ARG A 90 -3.405 10.281 5.182 1.00 0.00 N ATOM 1407 NH2 ARG A 90 -1.250 9.672 5.490 1.00 0.00 N ATOM 0 H ARG A 90 -4.133 3.107 2.253 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.526 4.038 3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.215 6.505 3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.722 5.447 4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -3.362 5.661 4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.760 6.478 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.762 8.378 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.401 7.557 5.512 1.00 0.00 H new ATOM 0 HE ARG A 90 -1.934 7.757 3.997 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.341 10.072 4.835 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -3.217 11.175 5.636 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -0.501 8.987 5.384 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.063 10.566 5.944 1.00 0.00 H new ATOM 1421 N LEU A 91 -6.584 4.948 0.681 1.00 0.00 N ATOM 1422 CA LEU A 91 -6.553 5.382 -0.746 1.00 0.00 C ATOM 1423 C LEU A 91 -6.114 6.845 -0.833 1.00 0.00 C ATOM 1424 O LEU A 91 -6.362 7.632 0.059 1.00 0.00 O ATOM 1425 CB LEU A 91 -7.946 5.230 -1.357 1.00 0.00 C ATOM 1426 CG LEU A 91 -7.863 5.409 -2.875 1.00 0.00 C ATOM 1427 CD1 LEU A 91 -9.009 4.646 -3.541 1.00 0.00 C ATOM 1428 CD2 LEU A 91 -7.973 6.897 -3.221 1.00 0.00 C ATOM 0 H LEU A 91 -7.488 4.612 1.014 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.845 4.761 -1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.354 4.248 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.624 5.969 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 91 -6.910 5.022 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.951 4.773 -4.622 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.932 3.587 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -9.962 5.034 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.914 7.025 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.926 7.285 -2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.157 7.442 -2.746 1.00 0.00 H new ATOM 1440 N ALA A 92 -5.460 7.213 -1.902 1.00 0.00 N ATOM 1441 CA ALA A 92 -5.000 8.625 -2.044 1.00 0.00 C ATOM 1442 C ALA A 92 -5.560 9.230 -3.335 1.00 0.00 C ATOM 1443 O ALA A 92 -6.255 10.227 -3.313 1.00 0.00 O ATOM 1444 CB ALA A 92 -3.471 8.660 -2.088 1.00 0.00 C ATOM 0 H ALA A 92 -5.225 6.599 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.357 9.205 -1.193 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.134 9.691 -2.192 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.071 8.238 -1.166 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.118 8.075 -2.938 1.00 0.00 H new ATOM 1450 N GLU A 93 -5.257 8.641 -4.456 1.00 0.00 N ATOM 1451 CA GLU A 93 -5.764 9.190 -5.748 1.00 0.00 C ATOM 1452 C GLU A 93 -6.277 8.049 -6.630 1.00 0.00 C ATOM 1453 O GLU A 93 -6.208 6.891 -6.268 1.00 0.00 O ATOM 1454 CB GLU A 93 -4.627 9.917 -6.469 1.00 0.00 C ATOM 1455 CG GLU A 93 -5.195 11.097 -7.261 1.00 0.00 C ATOM 1456 CD GLU A 93 -4.775 12.408 -6.592 1.00 0.00 C ATOM 1457 OE1 GLU A 93 -4.246 12.347 -5.495 1.00 0.00 O ATOM 1458 OE2 GLU A 93 -4.990 13.449 -7.190 1.00 0.00 O ATOM 0 H GLU A 93 -4.681 7.803 -4.536 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.579 9.886 -5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.892 10.271 -5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.110 9.231 -7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.832 11.068 -8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.282 11.030 -7.305 1.00 0.00 H new ATOM 1465 N GLU A 94 -6.791 8.369 -7.786 1.00 0.00 N ATOM 1466 CA GLU A 94 -7.309 7.306 -8.695 1.00 0.00 C ATOM 1467 C GLU A 94 -6.510 7.321 -10.000 1.00 0.00 C ATOM 1468 O GLU A 94 -6.942 7.864 -10.997 1.00 0.00 O ATOM 1469 CB GLU A 94 -8.785 7.569 -9.000 1.00 0.00 C ATOM 1470 CG GLU A 94 -9.547 6.243 -9.019 1.00 0.00 C ATOM 1471 CD GLU A 94 -10.905 6.443 -9.692 1.00 0.00 C ATOM 1472 OE1 GLU A 94 -10.971 7.226 -10.626 1.00 0.00 O ATOM 1473 OE2 GLU A 94 -11.856 5.810 -9.264 1.00 0.00 O ATOM 0 H GLU A 94 -6.875 9.322 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.205 6.334 -8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.210 8.234 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.884 8.071 -9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.971 5.489 -9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.684 5.876 -8.002 1.00 0.00 H new ATOM 1480 N HIS A 95 -5.347 6.732 -10.002 1.00 0.00 N ATOM 1481 CA HIS A 95 -4.522 6.719 -11.242 1.00 0.00 C ATOM 1482 C HIS A 95 -3.428 5.656 -11.115 1.00 0.00 C ATOM 1483 O HIS A 95 -2.740 5.576 -10.117 1.00 0.00 O ATOM 1484 CB HIS A 95 -3.880 8.094 -11.435 1.00 0.00 C ATOM 1485 CG HIS A 95 -4.271 8.653 -12.776 1.00 0.00 C ATOM 1486 ND1 HIS A 95 -3.654 9.771 -13.315 1.00 0.00 N ATOM 1487 CD2 HIS A 95 -5.211 8.263 -13.697 1.00 0.00 C ATOM 1488 CE1 HIS A 95 -4.225 10.013 -14.509 1.00 0.00 C ATOM 1489 NE2 HIS A 95 -5.180 9.123 -14.790 1.00 0.00 N ATOM 0 H HIS A 95 -4.932 6.259 -9.199 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.153 6.487 -12.100 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.199 8.770 -10.642 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.795 8.012 -11.367 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.874 7.417 -13.589 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -3.945 10.828 -15.161 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -5.762 9.082 -15.627 1.00 0.00 H new ATOM 1497 N GLY A 96 -3.260 4.838 -12.117 1.00 0.00 N ATOM 1498 CA GLY A 96 -2.210 3.782 -12.048 1.00 0.00 C ATOM 1499 C GLY A 96 -2.755 2.567 -11.296 1.00 0.00 C ATOM 1500 O GLY A 96 -3.912 2.519 -10.930 1.00 0.00 O ATOM 0 H GLY A 96 -3.804 4.855 -12.980 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.904 3.493 -13.053 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.324 4.168 -11.543 1.00 0.00 H new ATOM 1504 N LYS A 97 -1.929 1.581 -11.065 1.00 0.00 N ATOM 1505 CA LYS A 97 -2.400 0.369 -10.338 1.00 0.00 C ATOM 1506 C LYS A 97 -1.608 0.214 -9.038 1.00 0.00 C ATOM 1507 O LYS A 97 -0.413 0.453 -9.064 1.00 0.00 O ATOM 1508 CB LYS A 97 -2.188 -0.867 -11.216 1.00 0.00 C ATOM 1509 CG LYS A 97 -2.393 -0.489 -12.684 1.00 0.00 C ATOM 1510 CD LYS A 97 -2.099 -1.700 -13.571 1.00 0.00 C ATOM 1511 CE LYS A 97 -2.476 -1.378 -15.018 1.00 0.00 C ATOM 1512 NZ LYS A 97 -1.270 -1.509 -15.884 1.00 0.00 N ATOM 1513 OXT LYS A 97 -2.212 -0.140 -8.039 1.00 0.00 O ATOM 0 H LYS A 97 -0.949 1.564 -11.349 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.460 0.473 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.184 -1.264 -11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.887 -1.654 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.416 -0.149 -12.843 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.737 0.339 -12.952 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.043 -1.961 -13.509 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.662 -2.565 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.259 -2.055 -15.361 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.877 -0.367 -15.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.524 -1.290 -16.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.537 -0.846 -15.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.907 -2.482 -15.828 1.00 0.00 H new