USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 820 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 Single : A 14 LYS NZ :NH3+ 174:sc=-0.00648 (180deg=-0.109) USER MOD Single : A 18 GLN : amide:sc= -1.39 K(o=-1.4,f=-4!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0722 K(o=-0.072,f=-1.3!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.246 USER MOD Single : A 50 TYR OH : rot -15:sc= -0.648 USER MOD Single : A 52 LYS NZ :NH3+ -123:sc= -1.73! (180deg=-5.06!) USER MOD Single : A 55 ASN : amide:sc= 0.152 K(o=0.15,f=-4.9!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.8) USER MOD Single : A 64 CYS SG : rot 151:sc= 0.0512 USER MOD Single : A 65 LYS NZ :NH3+ -113:sc= -2.14 (180deg=-5.23!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 21:sc= 1.23 USER MOD Single : A 70 ASN : amide:sc= -0.533 K(o=-0.53,f=-2.9!) USER MOD Single : A 71 LYS NZ :NH3+ 164:sc= -0.0075 (180deg=-0.121) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -144:sc= -0.0618 (180deg=-1.29!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 CYS SG : rot -26:sc= -0.842 USER MOD Single : A 91 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-3!) USER MOD Single : A 92 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 93 TYR OH : rot 0:sc= -0.152 USER MOD Single : A 101 ASN : amide:sc= -2.5 K(o=-2.5,f=-5.5!) USER MOD Single : A 104 CYS SG : rot 15:sc= 0.772 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 31:sc= 0.124 USER MOD Single : A 110 ASN : amide:sc= -3.47! C(o=-3.5!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 9.419 1.560 4.378 1.00 0.00 N ATOM 144 CA LEU A 13 8.620 2.491 3.588 1.00 0.00 C ATOM 145 C LEU A 13 9.515 3.423 2.777 1.00 0.00 C ATOM 146 O LEU A 13 10.717 3.519 3.024 1.00 0.00 O ATOM 147 CB LEU A 13 7.705 3.310 4.499 1.00 0.00 C ATOM 148 CG LEU A 13 8.387 4.387 5.344 1.00 0.00 C ATOM 149 CD1 LEU A 13 8.490 5.689 4.566 1.00 0.00 C ATOM 150 CD2 LEU A 13 7.632 4.600 6.648 1.00 0.00 C ATOM 0 HA LEU A 13 8.009 1.911 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.945 3.789 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.186 2.625 5.170 1.00 0.00 H new ATOM 0 HG LEU A 13 9.396 4.050 5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.978 6.444 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.075 5.527 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.491 6.031 4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.132 5.370 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.611 4.915 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.611 3.668 7.213 1.00 0.00 H new ATOM 162 N LYS A 14 8.920 4.111 1.808 1.00 0.00 N ATOM 163 CA LYS A 14 9.661 5.039 0.961 1.00 0.00 C ATOM 164 C LYS A 14 8.710 5.910 0.147 1.00 0.00 C ATOM 165 O LYS A 14 7.753 5.427 -0.460 1.00 0.00 O ATOM 166 CB LYS A 14 10.596 4.271 0.024 1.00 0.00 C ATOM 167 CG LYS A 14 11.593 5.158 -0.701 1.00 0.00 C ATOM 168 CD LYS A 14 12.828 5.417 0.147 1.00 0.00 C ATOM 169 CE LYS A 14 13.917 6.114 -0.654 1.00 0.00 C ATOM 170 NZ LYS A 14 13.451 7.414 -1.210 1.00 0.00 N ATOM 0 H LYS A 14 7.926 4.043 1.590 1.00 0.00 H new ATOM 0 HA LYS A 14 10.255 5.686 1.606 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.140 3.523 0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.998 3.734 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.887 4.686 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.120 6.106 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.558 6.030 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.209 4.472 0.536 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.785 6.282 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.240 5.466 -1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.249 7.904 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.706 7.243 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.072 8.004 -0.442 1.00 0.00 H new ATOM 184 N PRO A 15 8.978 7.224 0.130 1.00 0.00 N ATOM 185 CA PRO A 15 8.158 8.189 -0.609 1.00 0.00 C ATOM 186 C PRO A 15 8.306 8.040 -2.119 1.00 0.00 C ATOM 187 O PRO A 15 9.351 7.630 -2.627 1.00 0.00 O ATOM 188 CB PRO A 15 8.705 9.543 -0.149 1.00 0.00 C ATOM 189 CG PRO A 15 10.107 9.264 0.269 1.00 0.00 C ATOM 190 CD PRO A 15 10.101 7.869 0.830 1.00 0.00 C ATOM 0 HA PRO A 15 7.094 8.054 -0.414 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.671 10.278 -0.954 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.119 9.947 0.677 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.789 9.341 -0.577 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.442 9.984 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.043 7.355 0.638 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.953 7.871 1.910 1.00 0.00 H new ATOM 198 N PRO A 16 7.238 8.380 -2.856 1.00 0.00 N ATOM 199 CA PRO A 16 7.226 8.293 -4.319 1.00 0.00 C ATOM 200 C PRO A 16 8.129 9.335 -4.970 1.00 0.00 C ATOM 201 O PRO A 16 8.278 10.445 -4.459 1.00 0.00 O ATOM 202 CB PRO A 16 5.761 8.555 -4.678 1.00 0.00 C ATOM 203 CG PRO A 16 5.231 9.358 -3.540 1.00 0.00 C ATOM 204 CD PRO A 16 5.961 8.876 -2.317 1.00 0.00 C ATOM 0 HA PRO A 16 7.601 7.333 -4.673 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.675 9.097 -5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.209 7.622 -4.796 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.401 10.423 -3.701 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.155 9.219 -3.432 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.114 9.680 -1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.409 8.089 -1.803 1.00 0.00 H new ATOM 212 N GLU A 17 8.729 8.970 -6.099 1.00 0.00 N ATOM 213 CA GLU A 17 9.617 9.876 -6.818 1.00 0.00 C ATOM 214 C GLU A 17 8.820 10.850 -7.679 1.00 0.00 C ATOM 215 O GLU A 17 9.134 12.038 -7.742 1.00 0.00 O ATOM 216 CB GLU A 17 10.590 9.082 -7.693 1.00 0.00 C ATOM 217 CG GLU A 17 11.571 8.235 -6.899 1.00 0.00 C ATOM 218 CD GLU A 17 10.951 6.949 -6.390 1.00 0.00 C ATOM 219 OE1 GLU A 17 10.858 5.983 -7.177 1.00 0.00 O ATOM 220 OE2 GLU A 17 10.559 6.906 -5.205 1.00 0.00 O ATOM 0 H GLU A 17 8.616 8.055 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 17 10.183 10.448 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.020 8.434 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.148 9.775 -8.322 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.430 7.997 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.944 8.814 -6.054 1.00 0.00 H new ATOM 227 N GLN A 18 7.787 10.338 -8.341 1.00 0.00 N ATOM 228 CA GLN A 18 6.946 11.163 -9.200 1.00 0.00 C ATOM 229 C GLN A 18 5.612 10.476 -9.477 1.00 0.00 C ATOM 230 O GLN A 18 5.555 9.259 -9.647 1.00 0.00 O ATOM 231 CB GLN A 18 7.663 11.461 -10.517 1.00 0.00 C ATOM 232 CG GLN A 18 7.981 10.218 -11.332 1.00 0.00 C ATOM 233 CD GLN A 18 6.865 9.843 -12.286 1.00 0.00 C ATOM 234 OE1 GLN A 18 6.030 10.676 -12.641 1.00 0.00 O ATOM 235 NE2 GLN A 18 6.843 8.583 -12.706 1.00 0.00 N ATOM 0 H GLN A 18 7.513 9.356 -8.299 1.00 0.00 H new ATOM 0 HA GLN A 18 6.750 12.101 -8.681 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.043 12.129 -11.115 1.00 0.00 H new ATOM 0 HB3 GLN A 18 8.590 11.993 -10.304 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.897 10.385 -11.899 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.171 9.384 -10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 18 7.555 7.926 -12.386 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.114 8.272 -13.348 1.00 0.00 H new ATOM 244 N GLU A 19 4.543 11.265 -9.520 1.00 0.00 N ATOM 245 CA GLU A 19 3.210 10.732 -9.775 1.00 0.00 C ATOM 246 C GLU A 19 3.247 9.685 -10.885 1.00 0.00 C ATOM 247 O GLU A 19 3.628 9.980 -12.018 1.00 0.00 O ATOM 248 CB GLU A 19 2.249 11.860 -10.154 1.00 0.00 C ATOM 249 CG GLU A 19 0.849 11.378 -10.496 1.00 0.00 C ATOM 250 CD GLU A 19 0.080 12.374 -11.343 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.189 13.589 -11.075 1.00 0.00 O ATOM 252 OE2 GLU A 19 -0.631 11.938 -12.273 1.00 0.00 O ATOM 0 H GLU A 19 4.574 12.275 -9.382 1.00 0.00 H new ATOM 0 HA GLU A 19 2.856 10.256 -8.861 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.189 12.568 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.656 12.401 -11.008 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.915 10.429 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.299 11.189 -9.574 1.00 0.00 H new ATOM 259 N ILE A 20 2.848 8.463 -10.550 1.00 0.00 N ATOM 260 CA ILE A 20 2.835 7.373 -11.518 1.00 0.00 C ATOM 261 C ILE A 20 1.456 7.217 -12.152 1.00 0.00 C ATOM 262 O ILE A 20 0.549 8.005 -11.887 1.00 0.00 O ATOM 263 CB ILE A 20 3.241 6.037 -10.867 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.176 5.588 -9.865 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.595 6.171 -10.186 1.00 0.00 C ATOM 266 CD1 ILE A 20 2.066 4.085 -9.733 1.00 0.00 C ATOM 0 H ILE A 20 2.530 8.203 -9.617 1.00 0.00 H new ATOM 0 HA ILE A 20 3.561 7.628 -12.290 1.00 0.00 H new ATOM 0 HB ILE A 20 3.321 5.279 -11.646 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.405 6.015 -8.888 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.210 5.990 -10.170 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.869 5.219 -9.730 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.347 6.450 -10.924 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.540 6.940 -9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.292 3.839 -9.006 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.807 3.653 -10.699 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.020 3.678 -9.398 1.00 0.00 H new ATOM 278 N GLU A 21 1.308 6.196 -12.989 1.00 0.00 N ATOM 279 CA GLU A 21 0.039 5.937 -13.660 1.00 0.00 C ATOM 280 C GLU A 21 -0.546 4.599 -13.220 1.00 0.00 C ATOM 281 O GLU A 21 0.188 3.663 -12.901 1.00 0.00 O ATOM 282 CB GLU A 21 0.228 5.949 -15.179 1.00 0.00 C ATOM 283 CG GLU A 21 0.504 7.331 -15.747 1.00 0.00 C ATOM 284 CD GLU A 21 1.216 7.280 -17.085 1.00 0.00 C ATOM 285 OE1 GLU A 21 0.621 6.760 -18.053 1.00 0.00 O ATOM 286 OE2 GLU A 21 2.365 7.760 -17.165 1.00 0.00 O ATOM 0 H GLU A 21 2.050 5.535 -13.219 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.658 6.728 -13.381 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.054 5.287 -15.439 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.667 5.543 -15.651 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.438 7.868 -15.861 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.109 7.897 -15.039 1.00 0.00 H new ATOM 293 N ILE A 22 -1.872 4.516 -13.205 1.00 0.00 N ATOM 294 CA ILE A 22 -2.556 3.293 -12.804 1.00 0.00 C ATOM 295 C ILE A 22 -3.746 3.005 -13.714 1.00 0.00 C ATOM 296 O ILE A 22 -4.586 3.874 -13.948 1.00 0.00 O ATOM 297 CB ILE A 22 -3.046 3.373 -11.346 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.856 3.440 -10.388 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.931 2.180 -11.018 1.00 0.00 C ATOM 300 CD1 ILE A 22 -1.003 2.190 -10.396 1.00 0.00 C ATOM 0 H ILE A 22 -2.494 5.281 -13.466 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.831 2.484 -12.890 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.636 4.282 -11.226 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.235 4.296 -10.652 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.223 3.613 -9.376 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.269 2.251 -9.984 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.795 2.174 -11.683 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.364 1.259 -11.152 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.178 2.308 -9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.610 1.333 -10.102 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.606 2.027 -11.398 1.00 0.00 H new ATOM 312 N ASP A 23 -3.812 1.780 -14.223 1.00 0.00 N ATOM 313 CA ASP A 23 -4.901 1.376 -15.105 1.00 0.00 C ATOM 314 C ASP A 23 -6.050 0.769 -14.306 1.00 0.00 C ATOM 315 O ASP A 23 -5.879 -0.240 -13.621 1.00 0.00 O ATOM 316 CB ASP A 23 -4.398 0.371 -16.143 1.00 0.00 C ATOM 317 CG ASP A 23 -3.556 1.024 -17.220 1.00 0.00 C ATOM 318 OD1 ASP A 23 -2.624 1.778 -16.869 1.00 0.00 O ATOM 319 OD2 ASP A 23 -3.827 0.781 -18.414 1.00 0.00 O ATOM 0 H ASP A 23 -3.124 1.049 -14.040 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.269 2.264 -15.619 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.810 -0.399 -15.644 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.250 -0.128 -16.605 1.00 0.00 H new ATOM 324 N ARG A 24 -7.221 1.391 -14.398 1.00 0.00 N ATOM 325 CA ARG A 24 -8.398 0.914 -13.682 1.00 0.00 C ATOM 326 C ARG A 24 -8.991 -0.314 -14.368 1.00 0.00 C ATOM 327 O ARG A 24 -10.009 -0.849 -13.932 1.00 0.00 O ATOM 328 CB ARG A 24 -9.451 2.020 -13.594 1.00 0.00 C ATOM 329 CG ARG A 24 -9.022 3.202 -12.740 1.00 0.00 C ATOM 330 CD ARG A 24 -8.168 4.180 -13.532 1.00 0.00 C ATOM 331 NE ARG A 24 -8.297 5.547 -13.035 1.00 0.00 N ATOM 332 CZ ARG A 24 -7.389 6.494 -13.242 1.00 0.00 C ATOM 333 NH1 ARG A 24 -6.291 6.223 -13.935 1.00 0.00 N ATOM 334 NH2 ARG A 24 -7.578 7.714 -12.758 1.00 0.00 N ATOM 0 H ARG A 24 -7.380 2.226 -14.961 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.090 0.634 -12.675 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.680 2.373 -14.600 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.371 1.602 -13.186 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.904 3.715 -12.357 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.461 2.844 -11.876 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.123 3.873 -13.481 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.459 4.147 -14.582 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.131 5.788 -12.499 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.143 5.286 -14.310 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.595 6.952 -14.093 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.422 7.926 -12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.880 8.440 -12.918 1.00 0.00 H new ATOM 348 N ASN A 25 -8.346 -0.753 -15.444 1.00 0.00 N ATOM 349 CA ASN A 25 -8.810 -1.916 -16.192 1.00 0.00 C ATOM 350 C ASN A 25 -7.673 -2.909 -16.414 1.00 0.00 C ATOM 351 O ASN A 25 -7.856 -3.943 -17.057 1.00 0.00 O ATOM 352 CB ASN A 25 -9.395 -1.484 -17.538 1.00 0.00 C ATOM 353 CG ASN A 25 -10.664 -0.668 -17.381 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.736 -1.212 -17.115 1.00 0.00 O ATOM 355 ND2 ASN A 25 -10.548 0.644 -17.548 1.00 0.00 N ATOM 0 H ASN A 25 -7.501 -0.321 -15.817 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.588 -2.406 -15.607 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.654 -0.898 -18.082 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.607 -2.368 -18.140 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.368 1.244 -17.457 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.639 1.052 -17.768 1.00 0.00 H new ATOM 362 N ILE A 26 -6.501 -2.587 -15.877 1.00 0.00 N ATOM 363 CA ILE A 26 -5.336 -3.452 -16.015 1.00 0.00 C ATOM 364 C ILE A 26 -4.557 -3.537 -14.707 1.00 0.00 C ATOM 365 O ILE A 26 -4.200 -2.517 -14.117 1.00 0.00 O ATOM 366 CB ILE A 26 -4.395 -2.954 -17.128 1.00 0.00 C ATOM 367 CG1 ILE A 26 -5.111 -2.978 -18.480 1.00 0.00 C ATOM 368 CG2 ILE A 26 -3.134 -3.804 -17.176 1.00 0.00 C ATOM 369 CD1 ILE A 26 -5.876 -1.708 -18.781 1.00 0.00 C ATOM 0 H ILE A 26 -6.333 -1.734 -15.343 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.707 -4.442 -16.279 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.108 -1.926 -16.907 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.377 -3.146 -19.268 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.801 -3.822 -18.502 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.479 -3.439 -17.968 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.616 -3.741 -16.219 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.402 -4.841 -17.376 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.358 -1.796 -19.755 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.634 -1.549 -18.014 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.188 -0.863 -18.792 1.00 0.00 H new ATOM 381 N ILE A 27 -4.294 -4.761 -14.260 1.00 0.00 N ATOM 382 CA ILE A 27 -3.555 -4.980 -13.023 1.00 0.00 C ATOM 383 C ILE A 27 -2.106 -5.360 -13.309 1.00 0.00 C ATOM 384 O ILE A 27 -1.805 -6.515 -13.609 1.00 0.00 O ATOM 385 CB ILE A 27 -4.204 -6.083 -12.167 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.557 -5.612 -11.629 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.282 -6.477 -11.023 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.381 -6.720 -11.012 1.00 0.00 C ATOM 0 H ILE A 27 -4.582 -5.616 -14.736 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.580 -4.041 -12.470 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.368 -6.959 -12.794 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.392 -4.835 -10.883 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.124 -5.158 -12.442 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.755 -7.258 -10.427 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.340 -6.849 -11.426 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.090 -5.607 -10.395 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.326 -6.313 -10.652 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.578 -7.487 -11.761 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.834 -7.159 -10.178 1.00 0.00 H new ATOM 400 N GLN A 28 -1.213 -4.380 -13.212 1.00 0.00 N ATOM 401 CA GLN A 28 0.205 -4.613 -13.459 1.00 0.00 C ATOM 402 C GLN A 28 0.904 -5.105 -12.196 1.00 0.00 C ATOM 403 O GLN A 28 0.538 -4.725 -11.085 1.00 0.00 O ATOM 404 CB GLN A 28 0.874 -3.332 -13.960 1.00 0.00 C ATOM 405 CG GLN A 28 0.128 -2.663 -15.103 1.00 0.00 C ATOM 406 CD GLN A 28 0.307 -1.158 -15.115 1.00 0.00 C ATOM 407 OE1 GLN A 28 1.385 -0.647 -14.810 1.00 0.00 O ATOM 408 NE2 GLN A 28 -0.751 -0.438 -15.469 1.00 0.00 N ATOM 0 H GLN A 28 -1.446 -3.418 -12.964 1.00 0.00 H new ATOM 0 HA GLN A 28 0.293 -5.384 -14.225 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.959 -2.629 -13.132 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.888 -3.565 -14.286 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.478 -3.074 -16.050 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.934 -2.898 -15.026 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.625 -0.903 -15.714 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.689 0.580 -15.496 1.00 0.00 H new ATOM 417 N GLU A 29 1.912 -5.954 -12.376 1.00 0.00 N ATOM 418 CA GLU A 29 2.661 -6.499 -11.249 1.00 0.00 C ATOM 419 C GLU A 29 2.912 -5.426 -10.194 1.00 0.00 C ATOM 420 O GLU A 29 2.963 -5.717 -8.999 1.00 0.00 O ATOM 421 CB GLU A 29 3.992 -7.082 -11.728 1.00 0.00 C ATOM 422 CG GLU A 29 4.861 -6.082 -12.472 1.00 0.00 C ATOM 423 CD GLU A 29 4.395 -5.850 -13.896 1.00 0.00 C ATOM 424 OE1 GLU A 29 4.213 -6.845 -14.630 1.00 0.00 O ATOM 425 OE2 GLU A 29 4.212 -4.676 -14.278 1.00 0.00 O ATOM 0 H GLU A 29 2.228 -6.279 -13.290 1.00 0.00 H new ATOM 0 HA GLU A 29 2.066 -7.294 -10.799 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.544 -7.461 -10.868 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.793 -7.933 -12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.859 -5.134 -11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.891 -6.440 -12.484 1.00 0.00 H new ATOM 432 N GLU A 30 3.069 -4.186 -10.644 1.00 0.00 N ATOM 433 CA GLU A 30 3.317 -3.070 -9.739 1.00 0.00 C ATOM 434 C GLU A 30 2.342 -3.095 -8.565 1.00 0.00 C ATOM 435 O GLU A 30 2.737 -2.923 -7.413 1.00 0.00 O ATOM 436 CB GLU A 30 3.198 -1.741 -10.487 1.00 0.00 C ATOM 437 CG GLU A 30 4.115 -0.655 -9.949 1.00 0.00 C ATOM 438 CD GLU A 30 3.456 0.186 -8.874 1.00 0.00 C ATOM 439 OE1 GLU A 30 2.566 0.993 -9.213 1.00 0.00 O ATOM 440 OE2 GLU A 30 3.831 0.037 -7.692 1.00 0.00 O ATOM 0 H GLU A 30 3.029 -3.928 -11.630 1.00 0.00 H new ATOM 0 HA GLU A 30 4.330 -3.169 -9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.423 -1.906 -11.541 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.166 -1.394 -10.432 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.017 -1.114 -9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.427 -0.009 -10.770 1.00 0.00 H new ATOM 447 N GLU A 31 1.065 -3.310 -8.868 1.00 0.00 N ATOM 448 CA GLU A 31 0.034 -3.356 -7.839 1.00 0.00 C ATOM 449 C GLU A 31 0.015 -4.717 -7.148 1.00 0.00 C ATOM 450 O GLU A 31 -0.412 -4.837 -5.999 1.00 0.00 O ATOM 451 CB GLU A 31 -1.339 -3.062 -8.448 1.00 0.00 C ATOM 452 CG GLU A 31 -1.488 -1.637 -8.954 1.00 0.00 C ATOM 453 CD GLU A 31 -0.594 -1.344 -10.143 1.00 0.00 C ATOM 454 OE1 GLU A 31 -0.692 -2.071 -11.154 1.00 0.00 O ATOM 455 OE2 GLU A 31 0.205 -0.387 -10.062 1.00 0.00 O ATOM 0 H GLU A 31 0.721 -3.455 -9.817 1.00 0.00 H new ATOM 0 HA GLU A 31 0.265 -2.593 -7.095 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.516 -3.752 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.108 -3.255 -7.700 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.527 -1.461 -9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.253 -0.943 -8.147 1.00 0.00 H new ATOM 462 N LYS A 32 0.480 -5.740 -7.856 1.00 0.00 N ATOM 463 CA LYS A 32 0.518 -7.093 -7.314 1.00 0.00 C ATOM 464 C LYS A 32 1.605 -7.222 -6.251 1.00 0.00 C ATOM 465 O LYS A 32 1.516 -8.065 -5.360 1.00 0.00 O ATOM 466 CB LYS A 32 0.761 -8.107 -8.433 1.00 0.00 C ATOM 467 CG LYS A 32 -0.301 -8.081 -9.519 1.00 0.00 C ATOM 468 CD LYS A 32 -0.073 -9.176 -10.548 1.00 0.00 C ATOM 469 CE LYS A 32 -1.022 -9.036 -11.728 1.00 0.00 C ATOM 470 NZ LYS A 32 -1.048 -10.266 -12.568 1.00 0.00 N ATOM 0 H LYS A 32 0.836 -5.658 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.447 -7.299 -6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.734 -7.912 -8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.804 -9.107 -8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.286 -8.203 -9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.294 -7.109 -10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.957 -9.136 -10.901 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.212 -10.151 -10.081 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.027 -8.824 -11.363 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.719 -8.185 -12.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.706 -10.131 -13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.094 -10.454 -12.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.362 -11.073 -11.992 1.00 0.00 H new ATOM 484 N GLN A 33 2.629 -6.380 -6.353 1.00 0.00 N ATOM 485 CA GLN A 33 3.732 -6.401 -5.400 1.00 0.00 C ATOM 486 C GLN A 33 3.365 -5.646 -4.126 1.00 0.00 C ATOM 487 O GLN A 33 4.007 -5.811 -3.089 1.00 0.00 O ATOM 488 CB GLN A 33 4.986 -5.789 -6.026 1.00 0.00 C ATOM 489 CG GLN A 33 5.761 -6.757 -6.906 1.00 0.00 C ATOM 490 CD GLN A 33 7.198 -6.327 -7.123 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.814 -5.717 -6.249 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.740 -6.642 -8.293 1.00 0.00 N ATOM 0 H GLN A 33 2.717 -5.676 -7.085 1.00 0.00 H new ATOM 0 HA GLN A 33 3.934 -7.440 -5.140 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.699 -4.921 -6.620 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.640 -5.430 -5.232 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.747 -7.747 -6.450 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.262 -6.843 -7.871 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.193 -7.149 -8.989 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.704 -6.378 -8.496 1.00 0.00 H new ATOM 501 N ALA A 34 2.330 -4.818 -4.213 1.00 0.00 N ATOM 502 CA ALA A 34 1.877 -4.039 -3.067 1.00 0.00 C ATOM 503 C ALA A 34 0.554 -4.573 -2.528 1.00 0.00 C ATOM 504 O ALA A 34 0.220 -4.367 -1.361 1.00 0.00 O ATOM 505 CB ALA A 34 1.740 -2.572 -3.447 1.00 0.00 C ATOM 0 H ALA A 34 1.789 -4.669 -5.065 1.00 0.00 H new ATOM 0 HA ALA A 34 2.624 -4.131 -2.279 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.401 -2.002 -2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.706 -2.190 -3.777 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.015 -2.472 -4.254 1.00 0.00 H new ATOM 511 N ILE A 35 -0.194 -5.259 -3.385 1.00 0.00 N ATOM 512 CA ILE A 35 -1.480 -5.823 -2.994 1.00 0.00 C ATOM 513 C ILE A 35 -1.569 -7.299 -3.365 1.00 0.00 C ATOM 514 O ILE A 35 -2.572 -7.771 -3.900 1.00 0.00 O ATOM 515 CB ILE A 35 -2.650 -5.068 -3.653 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.367 -3.565 -3.675 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.949 -5.357 -2.916 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.264 -2.948 -2.298 1.00 0.00 C ATOM 0 H ILE A 35 0.068 -5.438 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.554 -5.718 -1.912 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.754 -5.414 -4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.437 -3.387 -4.214 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.159 -3.063 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.766 -4.816 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.155 -6.427 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.858 -5.035 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.062 -1.881 -2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.202 -3.094 -1.763 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.453 -3.423 -1.746 1.00 0.00 H new ATOM 530 N PRO A 36 -0.495 -8.048 -3.074 1.00 0.00 N ATOM 531 CA PRO A 36 -0.428 -9.483 -3.366 1.00 0.00 C ATOM 532 C PRO A 36 -1.360 -10.300 -2.478 1.00 0.00 C ATOM 533 O PRO A 36 -1.851 -11.354 -2.883 1.00 0.00 O ATOM 534 CB PRO A 36 1.033 -9.836 -3.076 1.00 0.00 C ATOM 535 CG PRO A 36 1.482 -8.812 -2.092 1.00 0.00 C ATOM 536 CD PRO A 36 0.736 -7.552 -2.436 1.00 0.00 C ATOM 0 HA PRO A 36 -0.740 -9.706 -4.386 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.124 -10.843 -2.669 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.636 -9.804 -3.984 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.264 -9.129 -1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.559 -8.657 -2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.518 -6.959 -1.548 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.310 -6.916 -3.110 1.00 0.00 H new ATOM 544 N GLU A 37 -1.600 -9.807 -1.268 1.00 0.00 N ATOM 545 CA GLU A 37 -2.474 -10.492 -0.323 1.00 0.00 C ATOM 546 C GLU A 37 -3.869 -10.681 -0.911 1.00 0.00 C ATOM 547 O GLU A 37 -4.690 -11.421 -0.367 1.00 0.00 O ATOM 548 CB GLU A 37 -2.563 -9.707 0.987 1.00 0.00 C ATOM 549 CG GLU A 37 -3.041 -8.276 0.808 1.00 0.00 C ATOM 550 CD GLU A 37 -1.908 -7.318 0.493 1.00 0.00 C ATOM 551 OE1 GLU A 37 -0.764 -7.787 0.321 1.00 0.00 O ATOM 552 OE2 GLU A 37 -2.167 -6.098 0.420 1.00 0.00 O ATOM 0 H GLU A 37 -1.202 -8.936 -0.918 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.047 -11.474 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.240 -10.225 1.666 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.582 -9.697 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.776 -8.240 0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -3.546 -7.949 1.717 1.00 0.00 H new ATOM 559 N PHE A 38 -4.132 -10.005 -2.025 1.00 0.00 N ATOM 560 CA PHE A 38 -5.428 -10.096 -2.687 1.00 0.00 C ATOM 561 C PHE A 38 -5.383 -11.098 -3.837 1.00 0.00 C ATOM 562 O PHE A 38 -6.420 -11.521 -4.348 1.00 0.00 O ATOM 563 CB PHE A 38 -5.855 -8.723 -3.209 1.00 0.00 C ATOM 564 CG PHE A 38 -6.551 -7.880 -2.180 1.00 0.00 C ATOM 565 CD1 PHE A 38 -5.823 -7.083 -1.310 1.00 0.00 C ATOM 566 CD2 PHE A 38 -7.933 -7.883 -2.081 1.00 0.00 C ATOM 567 CE1 PHE A 38 -6.462 -6.307 -0.361 1.00 0.00 C ATOM 568 CE2 PHE A 38 -8.577 -7.109 -1.134 1.00 0.00 C ATOM 569 CZ PHE A 38 -7.840 -6.319 -0.274 1.00 0.00 C ATOM 0 H PHE A 38 -3.465 -9.388 -2.488 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.158 -10.442 -1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.975 -8.190 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.517 -8.858 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.745 -7.068 -1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.514 -8.498 -2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.884 -5.692 0.312 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.655 -7.122 -1.067 1.00 0.00 H new ATOM 0 HZ PHE A 38 -8.341 -5.712 0.465 1.00 0.00 H new ATOM 579 N PHE A 39 -4.173 -11.474 -4.239 1.00 0.00 N ATOM 580 CA PHE A 39 -3.991 -12.425 -5.329 1.00 0.00 C ATOM 581 C PHE A 39 -3.595 -13.798 -4.793 1.00 0.00 C ATOM 582 O PHE A 39 -3.708 -14.804 -5.492 1.00 0.00 O ATOM 583 CB PHE A 39 -2.924 -11.919 -6.303 1.00 0.00 C ATOM 584 CG PHE A 39 -3.262 -10.595 -6.927 1.00 0.00 C ATOM 585 CD1 PHE A 39 -2.914 -9.410 -6.299 1.00 0.00 C ATOM 586 CD2 PHE A 39 -3.928 -10.536 -8.141 1.00 0.00 C ATOM 587 CE1 PHE A 39 -3.225 -8.190 -6.871 1.00 0.00 C ATOM 588 CE2 PHE A 39 -4.241 -9.319 -8.717 1.00 0.00 C ATOM 589 CZ PHE A 39 -3.888 -8.145 -8.082 1.00 0.00 C ATOM 0 H PHE A 39 -3.304 -11.134 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.940 -12.520 -5.857 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.974 -11.831 -5.776 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.783 -12.658 -7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.394 -9.439 -5.353 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.206 -11.451 -8.643 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.950 -7.273 -6.371 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.761 -9.287 -9.663 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.130 -7.193 -8.531 1.00 0.00 H new ATOM 599 N GLU A 40 -3.131 -13.829 -3.548 1.00 0.00 N ATOM 600 CA GLU A 40 -2.717 -15.077 -2.918 1.00 0.00 C ATOM 601 C GLU A 40 -3.702 -16.199 -3.235 1.00 0.00 C ATOM 602 O GLU A 40 -3.305 -17.306 -3.595 1.00 0.00 O ATOM 603 CB GLU A 40 -2.602 -14.897 -1.403 1.00 0.00 C ATOM 604 CG GLU A 40 -1.222 -14.457 -0.945 1.00 0.00 C ATOM 605 CD GLU A 40 -0.662 -13.324 -1.785 1.00 0.00 C ATOM 606 OE1 GLU A 40 -0.656 -13.453 -3.027 1.00 0.00 O ATOM 607 OE2 GLU A 40 -0.230 -12.310 -1.199 1.00 0.00 O ATOM 0 H GLU A 40 -3.032 -13.004 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.741 -15.350 -3.319 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.336 -14.160 -1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.855 -15.838 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.273 -14.141 0.097 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.541 -15.307 -0.988 1.00 0.00 H new ATOM 614 N GLY A 41 -4.991 -15.903 -3.097 1.00 0.00 N ATOM 615 CA GLY A 41 -6.014 -16.895 -3.371 1.00 0.00 C ATOM 616 C GLY A 41 -6.993 -17.051 -2.224 1.00 0.00 C ATOM 617 O GLY A 41 -7.566 -18.123 -2.030 1.00 0.00 O ATOM 0 H GLY A 41 -5.345 -14.994 -2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.558 -16.612 -4.273 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.540 -17.855 -3.573 1.00 0.00 H new ATOM 621 N ARG A 42 -7.184 -15.979 -1.462 1.00 0.00 N ATOM 622 CA ARG A 42 -8.098 -16.002 -0.327 1.00 0.00 C ATOM 623 C ARG A 42 -9.508 -15.606 -0.756 1.00 0.00 C ATOM 624 O ARG A 42 -9.687 -14.871 -1.726 1.00 0.00 O ATOM 625 CB ARG A 42 -7.604 -15.060 0.773 1.00 0.00 C ATOM 626 CG ARG A 42 -6.304 -15.508 1.420 1.00 0.00 C ATOM 627 CD ARG A 42 -5.648 -14.375 2.194 1.00 0.00 C ATOM 628 NE ARG A 42 -6.170 -14.267 3.553 1.00 0.00 N ATOM 629 CZ ARG A 42 -5.617 -13.511 4.495 1.00 0.00 C ATOM 630 NH1 ARG A 42 -4.530 -12.800 4.226 1.00 0.00 N ATOM 631 NH2 ARG A 42 -6.151 -13.464 5.709 1.00 0.00 N ATOM 0 H ARG A 42 -6.718 -15.084 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.128 -17.020 0.062 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.466 -14.064 0.352 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.373 -14.978 1.541 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.500 -16.344 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.620 -15.870 0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.571 -14.538 2.231 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.810 -13.435 1.667 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.005 -14.801 3.792 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.117 -12.833 3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.107 -12.220 4.951 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.987 -14.009 5.920 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.725 -12.883 6.431 1.00 0.00 H new ATOM 645 N GLN A 43 -10.504 -16.098 -0.026 1.00 0.00 N ATOM 646 CA GLN A 43 -11.897 -15.796 -0.332 1.00 0.00 C ATOM 647 C GLN A 43 -12.226 -14.346 0.006 1.00 0.00 C ATOM 648 O GLN A 43 -12.870 -13.647 -0.776 1.00 0.00 O ATOM 649 CB GLN A 43 -12.826 -16.736 0.438 1.00 0.00 C ATOM 650 CG GLN A 43 -14.299 -16.396 0.283 1.00 0.00 C ATOM 651 CD GLN A 43 -15.160 -17.028 1.359 1.00 0.00 C ATOM 652 OE1 GLN A 43 -14.904 -18.151 1.796 1.00 0.00 O ATOM 653 NE2 GLN A 43 -16.189 -16.310 1.793 1.00 0.00 N ATOM 0 H GLN A 43 -10.372 -16.707 0.781 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.048 -15.944 -1.401 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.660 -17.758 0.097 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.564 -16.706 1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.423 -15.314 0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.644 -16.730 -0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.365 -15.384 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -16.804 -16.685 2.516 1.00 0.00 H new ATOM 662 N ALA A 44 -11.781 -13.900 1.176 1.00 0.00 N ATOM 663 CA ALA A 44 -12.027 -12.533 1.617 1.00 0.00 C ATOM 664 C ALA A 44 -11.301 -11.530 0.727 1.00 0.00 C ATOM 665 O ALA A 44 -11.856 -10.495 0.359 1.00 0.00 O ATOM 666 CB ALA A 44 -11.600 -12.361 3.067 1.00 0.00 C ATOM 0 H ALA A 44 -11.248 -14.466 1.836 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.097 -12.340 1.540 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -11.790 -11.335 3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.168 -13.046 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -10.536 -12.579 3.161 1.00 0.00 H new ATOM 672 N LYS A 45 -10.056 -11.843 0.384 1.00 0.00 N ATOM 673 CA LYS A 45 -9.252 -10.970 -0.463 1.00 0.00 C ATOM 674 C LYS A 45 -9.227 -11.480 -1.901 1.00 0.00 C ATOM 675 O LYS A 45 -8.632 -12.518 -2.193 1.00 0.00 O ATOM 676 CB LYS A 45 -7.824 -10.872 0.079 1.00 0.00 C ATOM 677 CG LYS A 45 -7.757 -10.695 1.586 1.00 0.00 C ATOM 678 CD LYS A 45 -7.881 -9.233 1.982 1.00 0.00 C ATOM 679 CE LYS A 45 -8.139 -9.079 3.473 1.00 0.00 C ATOM 680 NZ LYS A 45 -9.565 -9.335 3.818 1.00 0.00 N ATOM 0 H LYS A 45 -9.581 -12.696 0.680 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.706 -9.979 -0.455 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.277 -11.773 -0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.319 -10.033 -0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.555 -11.269 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.814 -11.095 1.959 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.967 -8.703 1.713 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.694 -8.771 1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.502 -9.770 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.864 -8.072 3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.700 -9.220 4.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.172 -8.659 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.820 -10.305 3.542 1.00 0.00 H new ATOM 694 N THR A 46 -9.877 -10.743 -2.796 1.00 0.00 N ATOM 695 CA THR A 46 -9.929 -11.120 -4.203 1.00 0.00 C ATOM 696 C THR A 46 -9.381 -10.009 -5.091 1.00 0.00 C ATOM 697 O THR A 46 -9.436 -8.826 -4.752 1.00 0.00 O ATOM 698 CB THR A 46 -11.367 -11.451 -4.643 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.212 -10.310 -4.452 1.00 0.00 O ATOM 700 CG2 THR A 46 -11.916 -12.632 -3.858 1.00 0.00 C ATOM 0 H THR A 46 -10.375 -9.882 -2.571 1.00 0.00 H new ATOM 0 HA THR A 46 -9.309 -12.009 -4.315 1.00 0.00 H new ATOM 0 HB THR A 46 -11.348 -11.716 -5.700 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.124 -10.528 -4.736 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.933 -12.846 -4.187 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.288 -13.506 -4.029 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.922 -12.391 -2.795 1.00 0.00 H new ATOM 708 N PRO A 47 -8.839 -10.394 -6.256 1.00 0.00 N ATOM 709 CA PRO A 47 -8.271 -9.444 -7.217 1.00 0.00 C ATOM 710 C PRO A 47 -9.340 -8.587 -7.886 1.00 0.00 C ATOM 711 O PRO A 47 -9.085 -7.444 -8.263 1.00 0.00 O ATOM 712 CB PRO A 47 -7.588 -10.347 -8.247 1.00 0.00 C ATOM 713 CG PRO A 47 -8.322 -11.641 -8.162 1.00 0.00 C ATOM 714 CD PRO A 47 -8.739 -11.786 -6.724 1.00 0.00 C ATOM 0 HA PRO A 47 -7.596 -8.734 -6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.650 -9.922 -9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.530 -10.476 -8.020 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.189 -11.642 -8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.686 -12.471 -8.470 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.690 -12.310 -6.632 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.007 -12.352 -6.148 1.00 0.00 H new ATOM 722 N GLU A 48 -10.537 -9.147 -8.029 1.00 0.00 N ATOM 723 CA GLU A 48 -11.645 -8.432 -8.653 1.00 0.00 C ATOM 724 C GLU A 48 -12.195 -7.358 -7.718 1.00 0.00 C ATOM 725 O GLU A 48 -12.544 -6.261 -8.153 1.00 0.00 O ATOM 726 CB GLU A 48 -12.758 -9.408 -9.037 1.00 0.00 C ATOM 727 CG GLU A 48 -12.475 -10.183 -10.313 1.00 0.00 C ATOM 728 CD GLU A 48 -13.695 -10.920 -10.832 1.00 0.00 C ATOM 729 OE1 GLU A 48 -14.563 -10.270 -11.450 1.00 0.00 O ATOM 730 OE2 GLU A 48 -13.780 -12.148 -10.619 1.00 0.00 O ATOM 0 H GLU A 48 -10.765 -10.093 -7.722 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.270 -7.947 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.909 -10.113 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.689 -8.855 -9.157 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.118 -9.495 -11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.674 -10.899 -10.129 1.00 0.00 H new ATOM 737 N ARG A 49 -12.269 -7.684 -6.432 1.00 0.00 N ATOM 738 CA ARG A 49 -12.778 -6.749 -5.435 1.00 0.00 C ATOM 739 C ARG A 49 -11.769 -5.636 -5.168 1.00 0.00 C ATOM 740 O ARG A 49 -12.138 -4.470 -5.029 1.00 0.00 O ATOM 741 CB ARG A 49 -13.100 -7.484 -4.133 1.00 0.00 C ATOM 742 CG ARG A 49 -13.822 -6.622 -3.110 1.00 0.00 C ATOM 743 CD ARG A 49 -14.500 -7.471 -2.046 1.00 0.00 C ATOM 744 NE ARG A 49 -15.735 -8.078 -2.535 1.00 0.00 N ATOM 745 CZ ARG A 49 -16.372 -9.059 -1.905 1.00 0.00 C ATOM 746 NH1 ARG A 49 -15.893 -9.541 -0.767 1.00 0.00 N ATOM 747 NH2 ARG A 49 -17.491 -9.559 -2.414 1.00 0.00 N ATOM 0 H ARG A 49 -11.983 -8.588 -6.056 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.691 -6.301 -5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.714 -8.355 -4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.173 -7.853 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.111 -5.944 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.566 -6.004 -3.613 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.817 -8.254 -1.717 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.720 -6.853 -1.175 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.130 -7.730 -3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.033 -9.159 -0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.384 -10.294 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.862 -9.190 -3.289 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.980 -10.312 -1.930 1.00 0.00 H new ATOM 761 N TYR A 50 -10.495 -6.005 -5.098 1.00 0.00 N ATOM 762 CA TYR A 50 -9.432 -5.039 -4.845 1.00 0.00 C ATOM 763 C TYR A 50 -9.463 -3.913 -5.874 1.00 0.00 C ATOM 764 O TYR A 50 -9.131 -2.767 -5.568 1.00 0.00 O ATOM 765 CB TYR A 50 -8.069 -5.731 -4.870 1.00 0.00 C ATOM 766 CG TYR A 50 -6.935 -4.820 -5.285 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.470 -3.825 -4.434 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.329 -4.955 -6.528 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.435 -2.990 -4.809 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.292 -4.126 -6.911 1.00 0.00 C ATOM 771 CZ TYR A 50 -4.850 -3.145 -6.048 1.00 0.00 C ATOM 772 OH TYR A 50 -3.818 -2.316 -6.425 1.00 0.00 O ATOM 0 H TYR A 50 -10.173 -6.966 -5.213 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.595 -4.608 -3.857 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.857 -6.133 -3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.113 -6.578 -5.555 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.925 -3.702 -3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.674 -5.721 -7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.086 -2.221 -4.136 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.830 -4.245 -7.880 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.784 -1.542 -5.825 1.00 0.00 H new ATOM 782 N LEU A 51 -9.866 -4.247 -7.095 1.00 0.00 N ATOM 783 CA LEU A 51 -9.942 -3.266 -8.171 1.00 0.00 C ATOM 784 C LEU A 51 -11.043 -2.246 -7.901 1.00 0.00 C ATOM 785 O LEU A 51 -10.856 -1.046 -8.101 1.00 0.00 O ATOM 786 CB LEU A 51 -10.194 -3.964 -9.508 1.00 0.00 C ATOM 787 CG LEU A 51 -8.950 -4.382 -10.293 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.336 -5.234 -11.492 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.164 -3.157 -10.738 1.00 0.00 C ATOM 0 H LEU A 51 -10.145 -5.190 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.988 -2.740 -8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.798 -4.853 -9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.789 -3.300 -10.135 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.315 -4.979 -9.639 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.438 -5.522 -12.038 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.855 -6.129 -11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.992 -4.662 -12.148 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.282 -3.473 -11.295 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.792 -2.534 -11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.855 -2.586 -9.863 1.00 0.00 H new ATOM 801 N LYS A 52 -12.193 -2.732 -7.444 1.00 0.00 N ATOM 802 CA LYS A 52 -13.325 -1.863 -7.143 1.00 0.00 C ATOM 803 C LYS A 52 -12.954 -0.836 -6.078 1.00 0.00 C ATOM 804 O LYS A 52 -13.104 0.369 -6.286 1.00 0.00 O ATOM 805 CB LYS A 52 -14.519 -2.694 -6.670 1.00 0.00 C ATOM 806 CG LYS A 52 -15.732 -1.859 -6.297 1.00 0.00 C ATOM 807 CD LYS A 52 -16.663 -1.667 -7.482 1.00 0.00 C ATOM 808 CE LYS A 52 -16.315 -0.411 -8.266 1.00 0.00 C ATOM 809 NZ LYS A 52 -15.353 -0.693 -9.368 1.00 0.00 N ATOM 0 H LYS A 52 -12.365 -3.723 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.597 -1.332 -8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.798 -3.394 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.218 -3.288 -5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.272 -2.344 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.406 -0.887 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.602 -2.535 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.693 -1.604 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.225 0.022 -8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.887 0.331 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.508 -0.098 -9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.077 -1.695 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -15.801 -0.483 -10.283 1.00 0.00 H new ATOM 823 N ILE A 53 -12.468 -1.319 -4.940 1.00 0.00 N ATOM 824 CA ILE A 53 -12.074 -0.441 -3.845 1.00 0.00 C ATOM 825 C ILE A 53 -11.065 0.603 -4.313 1.00 0.00 C ATOM 826 O ILE A 53 -11.225 1.795 -4.052 1.00 0.00 O ATOM 827 CB ILE A 53 -11.465 -1.238 -2.676 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.522 -2.147 -2.045 1.00 0.00 C ATOM 829 CG2 ILE A 53 -10.884 -0.292 -1.636 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.937 -3.265 -1.211 1.00 0.00 C ATOM 0 H ILE A 53 -12.338 -2.313 -4.752 1.00 0.00 H new ATOM 0 HA ILE A 53 -12.979 0.060 -3.501 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.659 -1.862 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.181 -1.545 -1.420 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.138 -2.578 -2.835 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.457 -0.870 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.105 0.318 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.673 0.355 -1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.743 -3.869 -0.795 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.301 -3.891 -1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.345 -2.842 -0.400 1.00 0.00 H new ATOM 842 N ARG A 54 -10.028 0.146 -5.007 1.00 0.00 N ATOM 843 CA ARG A 54 -8.993 1.040 -5.512 1.00 0.00 C ATOM 844 C ARG A 54 -9.577 2.040 -6.506 1.00 0.00 C ATOM 845 O ARG A 54 -9.641 3.238 -6.231 1.00 0.00 O ATOM 846 CB ARG A 54 -7.875 0.236 -6.178 1.00 0.00 C ATOM 847 CG ARG A 54 -6.568 1.001 -6.305 1.00 0.00 C ATOM 848 CD ARG A 54 -5.719 0.467 -7.449 1.00 0.00 C ATOM 849 NE ARG A 54 -6.278 0.813 -8.753 1.00 0.00 N ATOM 850 CZ ARG A 54 -5.901 0.238 -9.890 1.00 0.00 C ATOM 851 NH1 ARG A 54 -4.968 -0.705 -9.882 1.00 0.00 N ATOM 852 NH2 ARG A 54 -6.456 0.607 -11.037 1.00 0.00 N ATOM 0 H ARG A 54 -9.882 -0.838 -5.232 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.580 1.592 -4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.700 -0.673 -5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.203 -0.074 -7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.778 2.058 -6.469 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.010 0.928 -5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.709 0.869 -7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.638 -0.617 -7.365 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.997 1.535 -8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.539 -0.990 -9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.680 -1.145 -10.756 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.173 1.333 -11.047 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.166 0.165 -11.909 1.00 0.00 H new ATOM 866 N ASN A 55 -10.001 1.539 -7.662 1.00 0.00 N ATOM 867 CA ASN A 55 -10.578 2.389 -8.697 1.00 0.00 C ATOM 868 C ASN A 55 -11.452 3.478 -8.082 1.00 0.00 C ATOM 869 O ASN A 55 -11.516 4.598 -8.591 1.00 0.00 O ATOM 870 CB ASN A 55 -11.404 1.548 -9.674 1.00 0.00 C ATOM 871 CG ASN A 55 -10.537 0.692 -10.576 1.00 0.00 C ATOM 872 OD1 ASN A 55 -9.310 0.798 -10.560 1.00 0.00 O ATOM 873 ND2 ASN A 55 -11.172 -0.163 -11.369 1.00 0.00 N ATOM 0 H ASN A 55 -9.956 0.549 -7.905 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.761 2.866 -9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.083 0.907 -9.113 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.020 2.207 -10.286 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.641 -0.766 -11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.190 -0.217 -11.349 1.00 0.00 H new ATOM 880 N TYR A 56 -12.121 3.143 -6.985 1.00 0.00 N ATOM 881 CA TYR A 56 -12.992 4.092 -6.302 1.00 0.00 C ATOM 882 C TYR A 56 -12.181 5.222 -5.675 1.00 0.00 C ATOM 883 O TYR A 56 -12.527 6.397 -5.808 1.00 0.00 O ATOM 884 CB TYR A 56 -13.811 3.380 -5.224 1.00 0.00 C ATOM 885 CG TYR A 56 -14.695 4.308 -4.423 1.00 0.00 C ATOM 886 CD1 TYR A 56 -14.151 5.187 -3.493 1.00 0.00 C ATOM 887 CD2 TYR A 56 -16.074 4.307 -4.594 1.00 0.00 C ATOM 888 CE1 TYR A 56 -14.955 6.036 -2.758 1.00 0.00 C ATOM 889 CE2 TYR A 56 -16.885 5.155 -3.864 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.321 6.017 -2.948 1.00 0.00 C ATOM 891 OH TYR A 56 -17.126 6.862 -2.218 1.00 0.00 O ATOM 0 H TYR A 56 -12.077 2.222 -6.550 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.669 4.521 -7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.432 2.618 -5.695 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.132 2.863 -4.546 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.082 5.206 -3.343 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -16.520 3.632 -5.310 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -14.516 6.711 -2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -17.955 5.142 -4.010 1.00 0.00 H new ATOM 0 HH TYR A 56 -18.062 6.724 -2.473 1.00 0.00 H new ATOM 901 N ILE A 57 -11.100 4.859 -4.993 1.00 0.00 N ATOM 902 CA ILE A 57 -10.239 5.841 -4.348 1.00 0.00 C ATOM 903 C ILE A 57 -9.630 6.795 -5.370 1.00 0.00 C ATOM 904 O ILE A 57 -9.688 8.015 -5.209 1.00 0.00 O ATOM 905 CB ILE A 57 -9.104 5.162 -3.558 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.662 4.478 -2.308 1.00 0.00 C ATOM 907 CG2 ILE A 57 -8.039 6.180 -3.180 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.858 3.274 -1.868 1.00 0.00 C ATOM 0 H ILE A 57 -10.800 3.892 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.866 6.404 -3.657 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.645 4.403 -4.191 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.695 5.200 -1.492 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.689 4.168 -2.501 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.244 5.685 -2.622 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.625 6.626 -4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.484 6.960 -2.562 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.311 2.840 -0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.846 2.533 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.837 3.581 -1.643 1.00 0.00 H new ATOM 920 N LEU A 58 -9.049 6.232 -6.424 1.00 0.00 N ATOM 921 CA LEU A 58 -8.431 7.032 -7.475 1.00 0.00 C ATOM 922 C LEU A 58 -9.396 8.098 -7.986 1.00 0.00 C ATOM 923 O LEU A 58 -9.043 9.273 -8.084 1.00 0.00 O ATOM 924 CB LEU A 58 -7.986 6.135 -8.631 1.00 0.00 C ATOM 925 CG LEU A 58 -6.631 5.447 -8.463 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.461 4.343 -9.495 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.501 6.460 -8.572 1.00 0.00 C ATOM 0 H LEU A 58 -8.993 5.225 -6.573 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.558 7.530 -7.053 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.745 5.367 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.956 6.736 -9.540 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.594 4.997 -7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.491 3.865 -9.360 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.251 3.603 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.519 4.769 -10.497 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.544 5.952 -8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.535 6.939 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.613 7.215 -7.794 1.00 0.00 H new ATOM 939 N ASP A 59 -10.614 7.679 -8.309 1.00 0.00 N ATOM 940 CA ASP A 59 -11.632 8.598 -8.807 1.00 0.00 C ATOM 941 C ASP A 59 -11.807 9.780 -7.859 1.00 0.00 C ATOM 942 O ASP A 59 -11.772 10.936 -8.281 1.00 0.00 O ATOM 943 CB ASP A 59 -12.964 7.869 -8.985 1.00 0.00 C ATOM 944 CG ASP A 59 -13.835 8.507 -10.050 1.00 0.00 C ATOM 945 OD1 ASP A 59 -14.041 9.737 -9.989 1.00 0.00 O ATOM 946 OD2 ASP A 59 -14.312 7.776 -10.944 1.00 0.00 O ATOM 0 H ASP A 59 -10.921 6.709 -8.235 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.303 8.977 -9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.773 6.829 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.501 7.862 -8.036 1.00 0.00 H new ATOM 951 N GLN A 60 -11.996 9.482 -6.578 1.00 0.00 N ATOM 952 CA GLN A 60 -12.178 10.520 -5.571 1.00 0.00 C ATOM 953 C GLN A 60 -10.956 11.430 -5.499 1.00 0.00 C ATOM 954 O GLN A 60 -11.084 12.650 -5.400 1.00 0.00 O ATOM 955 CB GLN A 60 -12.442 9.892 -4.202 1.00 0.00 C ATOM 956 CG GLN A 60 -13.663 8.986 -4.173 1.00 0.00 C ATOM 957 CD GLN A 60 -14.866 9.608 -4.853 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.309 10.696 -4.485 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.403 8.918 -5.853 1.00 0.00 N ATOM 0 H GLN A 60 -12.027 8.530 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.040 11.122 -5.859 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.566 9.317 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.571 10.686 -3.466 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.422 8.042 -4.661 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.915 8.754 -3.138 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.004 8.020 -6.125 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.215 9.286 -6.349 1.00 0.00 H new ATOM 968 N TRP A 61 -9.774 10.828 -5.550 1.00 0.00 N ATOM 969 CA TRP A 61 -8.528 11.585 -5.490 1.00 0.00 C ATOM 970 C TRP A 61 -8.562 12.765 -6.454 1.00 0.00 C ATOM 971 O TRP A 61 -8.217 13.888 -6.086 1.00 0.00 O ATOM 972 CB TRP A 61 -7.340 10.678 -5.816 1.00 0.00 C ATOM 973 CG TRP A 61 -6.201 11.402 -6.467 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.652 11.137 -7.689 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.469 12.509 -5.928 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.624 12.013 -7.942 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.492 12.865 -6.878 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.546 13.235 -4.736 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.600 13.913 -6.670 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -4.660 14.275 -4.532 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.698 14.607 -5.495 1.00 0.00 C ATOM 0 H TRP A 61 -9.651 9.819 -5.633 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.414 11.971 -4.477 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.986 10.210 -4.897 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.674 9.876 -6.474 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.978 10.354 -8.358 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.052 12.026 -8.786 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.285 12.987 -3.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.857 14.169 -7.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.710 14.842 -3.614 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.021 15.427 -5.306 1.00 0.00 H new ATOM 992 N GLU A 62 -8.979 12.504 -7.689 1.00 0.00 N ATOM 993 CA GLU A 62 -9.056 13.547 -8.706 1.00 0.00 C ATOM 994 C GLU A 62 -10.205 14.508 -8.413 1.00 0.00 C ATOM 995 O GLU A 62 -10.104 15.708 -8.669 1.00 0.00 O ATOM 996 CB GLU A 62 -9.237 12.926 -10.092 1.00 0.00 C ATOM 997 CG GLU A 62 -8.334 11.731 -10.347 1.00 0.00 C ATOM 998 CD GLU A 62 -7.005 12.124 -10.961 1.00 0.00 C ATOM 999 OE1 GLU A 62 -6.955 13.160 -11.656 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -6.014 11.395 -10.747 1.00 0.00 O ATOM 0 H GLU A 62 -9.269 11.580 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.122 14.108 -8.687 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.276 12.617 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.043 13.686 -10.849 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.155 11.208 -9.407 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.843 11.031 -11.009 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.295 13.971 -7.875 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.462 14.780 -7.546 1.00 0.00 C ATOM 1009 C ILE A 63 -12.094 15.916 -6.597 1.00 0.00 C ATOM 1010 O ILE A 63 -12.759 16.952 -6.565 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.574 13.930 -6.905 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.211 13.012 -7.951 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.625 14.826 -6.268 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -15.092 11.937 -7.354 1.00 0.00 C ATOM 0 H ILE A 63 -11.394 12.979 -7.658 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.830 15.198 -8.483 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.133 13.310 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.803 13.615 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.422 12.540 -8.537 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.404 14.210 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.160 15.441 -5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.065 15.469 -7.030 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.510 11.324 -8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.500 11.310 -6.687 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.902 12.401 -6.791 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.031 15.714 -5.827 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.574 16.722 -4.876 1.00 0.00 C ATOM 1028 C CYS A 64 -9.276 17.368 -5.351 1.00 0.00 C ATOM 1029 O CYS A 64 -9.043 18.556 -5.128 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.370 16.095 -3.496 1.00 0.00 C ATOM 1031 SG CYS A 64 -8.779 15.262 -3.291 1.00 0.00 S ATOM 0 H CYS A 64 -10.470 14.863 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.340 17.495 -4.807 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.461 16.873 -2.738 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.170 15.377 -3.313 1.00 0.00 H new ATOM 0 HG CYS A 64 -8.423 15.308 -2.042 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.433 16.577 -6.007 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.158 17.071 -6.514 1.00 0.00 C ATOM 1039 C LYS A 65 -7.305 18.482 -7.074 1.00 0.00 C ATOM 1040 O LYS A 65 -8.385 18.901 -7.491 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.620 16.133 -7.597 1.00 0.00 C ATOM 1042 CG LYS A 65 -7.022 16.536 -9.005 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.395 15.625 -10.047 1.00 0.00 C ATOM 1044 CE LYS A 65 -4.919 15.937 -10.244 1.00 0.00 C ATOM 1045 NZ LYS A 65 -4.076 15.322 -9.181 1.00 0.00 N ATOM 0 H LYS A 65 -8.610 15.591 -6.200 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.452 17.101 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.532 16.104 -7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.978 15.122 -7.401 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.108 16.503 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.717 17.566 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.510 14.586 -9.740 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.922 15.738 -10.995 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.598 15.572 -11.219 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.773 17.017 -10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.656 16.071 -8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.664 14.704 -8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.318 14.761 -9.620 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.194 19.233 -7.087 1.00 0.00 N ATOM 1060 CA PRO A 66 -4.903 18.745 -6.594 1.00 0.00 C ATOM 1061 C PRO A 66 -4.888 18.575 -5.078 1.00 0.00 C ATOM 1062 O PRO A 66 -3.965 17.983 -4.518 1.00 0.00 O ATOM 1063 CB PRO A 66 -3.923 19.841 -7.018 1.00 0.00 C ATOM 1064 CG PRO A 66 -4.755 21.072 -7.125 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.112 20.616 -7.585 1.00 0.00 C ATOM 0 HA PRO A 66 -4.661 17.760 -6.993 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.126 19.964 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.447 19.601 -7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.820 21.584 -6.165 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.319 21.777 -7.833 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.906 21.239 -7.173 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.204 20.658 -8.670 1.00 0.00 H new ATOM 1073 N LYS A 67 -5.917 19.098 -4.419 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.024 19.003 -2.968 1.00 0.00 C ATOM 1075 C LYS A 67 -5.806 17.568 -2.499 1.00 0.00 C ATOM 1076 O LYS A 67 -5.977 16.621 -3.266 1.00 0.00 O ATOM 1077 CB LYS A 67 -7.395 19.500 -2.504 1.00 0.00 C ATOM 1078 CG LYS A 67 -7.446 20.996 -2.250 1.00 0.00 C ATOM 1079 CD LYS A 67 -7.264 21.786 -3.536 1.00 0.00 C ATOM 1080 CE LYS A 67 -8.566 21.889 -4.316 1.00 0.00 C ATOM 1081 NZ LYS A 67 -9.376 23.064 -3.890 1.00 0.00 N ATOM 0 H LYS A 67 -6.689 19.592 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.249 19.631 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.139 19.242 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.672 18.975 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.401 21.256 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.667 21.272 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.899 22.786 -3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.505 21.307 -4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.346 21.966 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.147 20.977 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.255 23.099 -4.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.607 22.978 -2.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.832 23.936 -4.048 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.428 17.416 -1.235 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.186 16.096 -0.664 1.00 0.00 C ATOM 1097 C TYR A 68 -6.490 15.320 -0.511 1.00 0.00 C ATOM 1098 O TYR A 68 -7.579 15.878 -0.658 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.494 16.224 0.695 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.206 14.895 1.355 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -3.131 14.114 0.951 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -5.009 14.421 2.386 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -2.865 12.898 1.551 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -4.750 13.208 2.993 1.00 0.00 C ATOM 1105 CZ TYR A 68 -3.677 12.450 2.572 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.415 11.240 3.174 1.00 0.00 O ATOM 0 H TYR A 68 -5.283 18.190 -0.586 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.536 15.548 -1.346 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.558 16.767 0.567 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.121 16.821 1.358 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.492 14.463 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.850 15.012 2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.026 12.302 1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.384 12.855 3.793 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.480 10.992 3.017 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.373 14.030 -0.215 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.542 13.176 -0.042 1.00 0.00 C ATOM 1118 C LEU A 69 -7.396 12.298 1.197 1.00 0.00 C ATOM 1119 O LEU A 69 -6.371 11.646 1.390 1.00 0.00 O ATOM 1120 CB LEU A 69 -7.747 12.301 -1.280 1.00 0.00 C ATOM 1121 CG LEU A 69 -8.830 11.226 -1.170 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.209 11.836 -1.371 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.583 10.116 -2.181 1.00 0.00 C ATOM 0 H LEU A 69 -5.480 13.553 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.413 13.817 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.990 12.949 -2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.801 11.813 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.788 10.795 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.967 11.057 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.386 12.595 -0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.264 12.294 -2.359 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.363 9.360 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.598 10.532 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.611 9.660 -1.991 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.430 12.285 2.032 1.00 0.00 N ATOM 1136 CA ASN A 70 -8.417 11.486 3.252 1.00 0.00 C ATOM 1137 C ASN A 70 -9.079 10.131 3.022 1.00 0.00 C ATOM 1138 O ASN A 70 -10.108 10.036 2.352 1.00 0.00 O ATOM 1139 CB ASN A 70 -9.132 12.230 4.382 1.00 0.00 C ATOM 1140 CG ASN A 70 -8.784 13.706 4.413 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -7.815 14.139 3.790 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -9.576 14.485 5.140 1.00 0.00 N ATOM 0 H ASN A 70 -9.287 12.818 1.886 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.378 11.320 3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.210 12.116 4.264 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.866 11.777 5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.392 15.487 5.198 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -10.368 14.082 5.640 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.483 9.084 3.582 1.00 0.00 N ATOM 1150 CA LYS A 71 -9.015 7.734 3.440 1.00 0.00 C ATOM 1151 C LYS A 71 -10.364 7.604 4.140 1.00 0.00 C ATOM 1152 O LYS A 71 -11.152 6.710 3.830 1.00 0.00 O ATOM 1153 CB LYS A 71 -8.030 6.713 4.015 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.817 6.850 5.512 1.00 0.00 C ATOM 1155 CD LYS A 71 -7.106 5.636 6.087 1.00 0.00 C ATOM 1156 CE LYS A 71 -7.429 5.448 7.562 1.00 0.00 C ATOM 1157 NZ LYS A 71 -8.815 4.944 7.766 1.00 0.00 N ATOM 0 H LYS A 71 -7.631 9.145 4.139 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.156 7.536 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.393 5.708 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.071 6.821 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.232 7.746 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.780 6.978 6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.399 4.745 5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.029 5.750 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.719 4.748 8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.307 6.397 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.911 4.575 8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.491 5.721 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.012 4.184 7.084 1.00 0.00 H new ATOM 1171 N THR A 72 -10.625 8.503 5.084 1.00 0.00 N ATOM 1172 CA THR A 72 -11.878 8.489 5.827 1.00 0.00 C ATOM 1173 C THR A 72 -13.058 8.821 4.921 1.00 0.00 C ATOM 1174 O THR A 72 -14.203 8.492 5.231 1.00 0.00 O ATOM 1175 CB THR A 72 -11.848 9.488 6.999 1.00 0.00 C ATOM 1176 OG1 THR A 72 -10.620 9.355 7.724 1.00 0.00 O ATOM 1177 CG2 THR A 72 -13.024 9.258 7.937 1.00 0.00 C ATOM 0 H THR A 72 -9.984 9.250 5.352 1.00 0.00 H new ATOM 0 HA THR A 72 -11.999 7.481 6.222 1.00 0.00 H new ATOM 0 HB THR A 72 -11.922 10.496 6.591 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.608 9.995 8.466 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.981 9.975 8.757 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.957 9.388 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.977 8.246 8.338 1.00 0.00 H new ATOM 1185 N SER A 73 -12.772 9.476 3.800 1.00 0.00 N ATOM 1186 CA SER A 73 -13.810 9.856 2.850 1.00 0.00 C ATOM 1187 C SER A 73 -14.307 8.641 2.073 1.00 0.00 C ATOM 1188 O SER A 73 -15.473 8.571 1.685 1.00 0.00 O ATOM 1189 CB SER A 73 -13.282 10.915 1.880 1.00 0.00 C ATOM 1190 OG SER A 73 -14.239 11.213 0.880 1.00 0.00 O ATOM 0 H SER A 73 -11.829 9.754 3.528 1.00 0.00 H new ATOM 0 HA SER A 73 -14.646 10.273 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.031 11.822 2.429 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.363 10.560 1.414 1.00 0.00 H new ATOM 0 HG SER A 73 -13.878 11.893 0.274 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.412 7.684 1.849 1.00 0.00 N ATOM 1197 CA VAL A 74 -13.758 6.470 1.119 1.00 0.00 C ATOM 1198 C VAL A 74 -14.026 5.312 2.074 1.00 0.00 C ATOM 1199 O VAL A 74 -14.748 4.373 1.740 1.00 0.00 O ATOM 1200 CB VAL A 74 -12.639 6.065 0.140 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.105 7.286 -0.595 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -11.520 5.346 0.879 1.00 0.00 C ATOM 0 H VAL A 74 -12.442 7.726 2.162 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.664 6.688 0.554 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.056 5.380 -0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.316 6.981 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.913 7.755 -1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.703 7.998 0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.738 5.067 0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.103 6.006 1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.916 4.449 1.355 1.00 0.00 H new ATOM 1212 N ARG A 75 -13.439 5.386 3.264 1.00 0.00 N ATOM 1213 CA ARG A 75 -13.613 4.343 4.268 1.00 0.00 C ATOM 1214 C ARG A 75 -15.079 3.934 4.377 1.00 0.00 C ATOM 1215 O ARG A 75 -15.444 2.778 4.162 1.00 0.00 O ATOM 1216 CB ARG A 75 -13.105 4.825 5.628 1.00 0.00 C ATOM 1217 CG ARG A 75 -13.878 4.252 6.805 1.00 0.00 C ATOM 1218 CD ARG A 75 -13.322 4.748 8.131 1.00 0.00 C ATOM 1219 NE ARG A 75 -13.972 5.980 8.570 1.00 0.00 N ATOM 1220 CZ ARG A 75 -13.816 6.501 9.782 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -13.036 5.900 10.670 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -14.442 7.625 10.108 1.00 0.00 N ATOM 0 H ARG A 75 -12.839 6.157 3.556 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.032 3.474 3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.053 4.557 5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.161 5.913 5.662 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.928 4.531 6.722 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.834 3.163 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.454 3.978 8.891 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.250 4.919 8.034 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.579 6.467 7.910 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.554 5.036 10.423 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.918 6.302 11.600 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.044 8.090 9.428 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.322 8.024 11.039 1.00 0.00 H new ATOM 1236 N PRO A 76 -15.941 4.903 4.720 1.00 0.00 N ATOM 1237 CA PRO A 76 -17.380 4.667 4.866 1.00 0.00 C ATOM 1238 C PRO A 76 -18.062 4.400 3.528 1.00 0.00 C ATOM 1239 O PRO A 76 -18.899 3.505 3.415 1.00 0.00 O ATOM 1240 CB PRO A 76 -17.894 5.974 5.475 1.00 0.00 C ATOM 1241 CG PRO A 76 -16.905 7.005 5.051 1.00 0.00 C ATOM 1242 CD PRO A 76 -15.576 6.303 4.991 1.00 0.00 C ATOM 0 HA PRO A 76 -17.589 3.786 5.473 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -18.894 6.213 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -17.955 5.907 6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.170 7.424 4.080 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.877 7.834 5.759 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.941 6.712 4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.027 6.401 5.928 1.00 0.00 H new ATOM 1250 N GLY A 77 -17.697 5.181 2.516 1.00 0.00 N ATOM 1251 CA GLY A 77 -18.284 5.011 1.199 1.00 0.00 C ATOM 1252 C GLY A 77 -18.494 3.554 0.842 1.00 0.00 C ATOM 1253 O GLY A 77 -19.559 3.174 0.352 1.00 0.00 O ATOM 0 H GLY A 77 -17.006 5.928 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.240 5.533 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.638 5.475 0.454 1.00 0.00 H new ATOM 1257 N LEU A 78 -17.477 2.734 1.085 1.00 0.00 N ATOM 1258 CA LEU A 78 -17.555 1.309 0.783 1.00 0.00 C ATOM 1259 C LEU A 78 -17.400 0.475 2.051 1.00 0.00 C ATOM 1260 O LEU A 78 -16.285 0.209 2.501 1.00 0.00 O ATOM 1261 CB LEU A 78 -16.476 0.922 -0.230 1.00 0.00 C ATOM 1262 CG LEU A 78 -16.349 1.829 -1.454 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -15.008 1.618 -2.138 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -17.492 1.576 -2.427 1.00 0.00 C ATOM 0 H LEU A 78 -16.589 3.031 1.490 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.536 1.107 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.515 0.901 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.676 -0.093 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.405 2.865 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.936 2.272 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -14.203 1.851 -1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.922 0.579 -2.458 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.385 2.231 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -17.468 0.536 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.442 1.780 -1.933 1.00 0.00 H new ATOM 1276 N LYS A 79 -18.526 0.062 2.623 1.00 0.00 N ATOM 1277 CA LYS A 79 -18.517 -0.745 3.838 1.00 0.00 C ATOM 1278 C LYS A 79 -18.812 -2.207 3.521 1.00 0.00 C ATOM 1279 O LYS A 79 -18.386 -3.107 4.244 1.00 0.00 O ATOM 1280 CB LYS A 79 -19.546 -0.211 4.837 1.00 0.00 C ATOM 1281 CG LYS A 79 -19.110 1.065 5.536 1.00 0.00 C ATOM 1282 CD LYS A 79 -20.231 1.649 6.380 1.00 0.00 C ATOM 1283 CE LYS A 79 -20.283 1.007 7.758 1.00 0.00 C ATOM 1284 NZ LYS A 79 -21.073 -0.255 7.751 1.00 0.00 N ATOM 0 H LYS A 79 -19.457 0.273 2.264 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.523 -0.680 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -20.485 -0.027 4.315 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -19.743 -0.977 5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -18.247 0.858 6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -18.793 1.797 4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -20.088 2.725 6.484 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -21.184 1.502 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -19.269 0.799 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -20.722 1.707 8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -21.596 -0.342 8.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -21.745 -0.240 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -20.431 -1.066 7.645 1.00 0.00 H new ATOM 1298 N ASN A 80 -19.542 -2.438 2.434 1.00 0.00 N ATOM 1299 CA ASN A 80 -19.892 -3.792 2.022 1.00 0.00 C ATOM 1300 C ASN A 80 -18.754 -4.431 1.232 1.00 0.00 C ATOM 1301 O ASN A 80 -18.416 -5.597 1.444 1.00 0.00 O ATOM 1302 CB ASN A 80 -21.167 -3.776 1.177 1.00 0.00 C ATOM 1303 CG ASN A 80 -22.423 -3.829 2.025 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -22.944 -4.906 2.317 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -22.916 -2.663 2.426 1.00 0.00 N ATOM 0 H ASN A 80 -19.902 -1.705 1.823 1.00 0.00 H new ATOM 0 HA ASN A 80 -20.066 -4.385 2.920 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.183 -2.874 0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -21.157 -4.625 0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -23.759 -2.636 3.000 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -22.452 -1.795 2.161 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.167 -3.662 0.322 1.00 0.00 N ATOM 1313 CA CYS A 81 -17.066 -4.153 -0.499 1.00 0.00 C ATOM 1314 C CYS A 81 -15.722 -3.716 0.074 1.00 0.00 C ATOM 1315 O CYS A 81 -15.079 -2.806 -0.447 1.00 0.00 O ATOM 1316 CB CYS A 81 -17.210 -3.647 -1.936 1.00 0.00 C ATOM 1317 SG CYS A 81 -18.688 -4.249 -2.786 1.00 0.00 S ATOM 0 H CYS A 81 -18.435 -2.696 0.134 1.00 0.00 H new ATOM 0 HA CYS A 81 -17.103 -5.242 -0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -17.228 -2.557 -1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.330 -3.946 -2.505 1.00 0.00 H new ATOM 0 HG CYS A 81 -18.722 -3.765 -3.992 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.304 -4.371 1.154 1.00 0.00 N ATOM 1324 CA GLY A 82 -14.040 -4.034 1.782 1.00 0.00 C ATOM 1325 C GLY A 82 -14.222 -3.283 3.086 1.00 0.00 C ATOM 1326 O GLY A 82 -15.183 -2.531 3.247 1.00 0.00 O ATOM 0 H GLY A 82 -15.818 -5.128 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.476 -4.948 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.448 -3.428 1.097 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.299 -3.488 4.019 1.00 0.00 N ATOM 1331 CA ASP A 83 -13.362 -2.825 5.316 1.00 0.00 C ATOM 1332 C ASP A 83 -12.050 -2.111 5.626 1.00 0.00 C ATOM 1333 O ASP A 83 -11.051 -2.296 4.930 1.00 0.00 O ATOM 1334 CB ASP A 83 -13.677 -3.839 6.416 1.00 0.00 C ATOM 1335 CG ASP A 83 -13.988 -3.176 7.744 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -14.577 -2.075 7.733 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -13.641 -3.757 8.794 1.00 0.00 O ATOM 0 H ASP A 83 -12.498 -4.108 3.901 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.159 -2.082 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -14.527 -4.450 6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.829 -4.512 6.539 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.060 -1.293 6.673 1.00 0.00 N ATOM 1343 CA VAL A 84 -10.872 -0.551 7.075 1.00 0.00 C ATOM 1344 C VAL A 84 -9.609 -1.379 6.866 1.00 0.00 C ATOM 1345 O VAL A 84 -8.547 -0.843 6.554 1.00 0.00 O ATOM 1346 CB VAL A 84 -10.951 -0.121 8.552 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -12.037 0.926 8.746 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -11.197 -1.328 9.445 1.00 0.00 C ATOM 0 H VAL A 84 -12.879 -1.127 7.259 1.00 0.00 H new ATOM 0 HA VAL A 84 -10.828 0.339 6.447 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.997 0.324 8.835 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -12.078 1.218 9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.813 1.800 8.135 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -13.000 0.511 8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -11.250 -1.006 10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -12.137 -1.803 9.164 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.381 -2.040 9.327 1.00 0.00 H new ATOM 1358 N ASN A 85 -9.734 -2.691 7.039 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.602 -3.595 6.869 1.00 0.00 C ATOM 1360 C ASN A 85 -7.913 -3.359 5.529 1.00 0.00 C ATOM 1361 O ASN A 85 -6.711 -3.098 5.474 1.00 0.00 O ATOM 1362 CB ASN A 85 -9.066 -5.050 6.967 1.00 0.00 C ATOM 1363 CG ASN A 85 -9.213 -5.515 8.403 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -10.275 -5.371 9.008 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -8.143 -6.075 8.956 1.00 0.00 N ATOM 0 H ASN A 85 -10.607 -3.152 7.297 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.886 -3.394 7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.021 -5.159 6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -8.351 -5.692 6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -8.181 -6.406 9.920 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.283 -6.174 8.417 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.683 -3.450 4.450 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.148 -3.246 3.109 1.00 0.00 C ATOM 1374 C CYS A 86 -8.015 -1.759 2.797 1.00 0.00 C ATOM 1375 O CYS A 86 -6.977 -1.307 2.312 1.00 0.00 O ATOM 1376 CB CYS A 86 -9.046 -3.919 2.070 1.00 0.00 C ATOM 1377 SG CYS A 86 -10.766 -3.363 2.111 1.00 0.00 S ATOM 0 H CYS A 86 -9.680 -3.664 4.478 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.157 -3.698 3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.638 -3.731 1.077 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.020 -4.997 2.227 1.00 0.00 H new ATOM 0 HG CYS A 86 -11.054 -2.932 3.303 1.00 0.00 H new ATOM 1383 N ILE A 87 -9.072 -1.005 3.077 1.00 0.00 N ATOM 1384 CA ILE A 87 -9.073 0.431 2.825 1.00 0.00 C ATOM 1385 C ILE A 87 -7.703 1.039 3.105 1.00 0.00 C ATOM 1386 O ILE A 87 -7.108 1.679 2.239 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.127 1.153 3.686 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.535 0.708 3.284 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -9.982 2.661 3.547 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.593 1.054 4.309 1.00 0.00 C ATOM 0 H ILE A 87 -9.938 -1.364 3.478 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.320 0.566 1.772 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.966 0.888 4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.796 1.172 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.535 -0.370 3.123 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.734 3.157 4.161 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.988 2.963 3.876 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.121 2.945 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.566 0.709 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.355 0.568 5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.621 2.134 4.453 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.206 0.833 4.321 1.00 0.00 N ATOM 1403 CA GLY A 88 -5.909 1.366 4.693 1.00 0.00 C ATOM 1404 C GLY A 88 -4.808 0.920 3.751 1.00 0.00 C ATOM 1405 O GLY A 88 -3.971 1.724 3.339 1.00 0.00 O ATOM 0 H GLY A 88 -7.679 0.306 5.055 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.956 2.455 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.666 1.049 5.707 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.806 -0.365 3.411 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.797 -0.917 2.515 1.00 0.00 C ATOM 1411 C ARG A 89 -3.878 -0.264 1.138 1.00 0.00 C ATOM 1412 O ARG A 89 -2.952 0.428 0.713 1.00 0.00 O ATOM 1413 CB ARG A 89 -3.973 -2.431 2.385 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.472 -3.208 3.591 1.00 0.00 C ATOM 1415 CD ARG A 89 -2.002 -3.570 3.449 1.00 0.00 C ATOM 1416 NE ARG A 89 -1.470 -4.184 4.662 1.00 0.00 N ATOM 1417 CZ ARG A 89 -1.638 -5.465 4.972 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -2.320 -6.262 4.163 1.00 0.00 N ATOM 1419 NH2 ARG A 89 -1.123 -5.950 6.095 1.00 0.00 N ATOM 0 H ARG A 89 -5.492 -1.043 3.743 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.815 -0.708 2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.029 -2.654 2.233 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.444 -2.775 1.496 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.616 -2.614 4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.062 -4.117 3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.877 -4.256 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.429 -2.673 3.215 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.940 -3.597 5.307 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.718 -5.893 3.299 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.447 -7.245 4.404 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.598 -5.339 6.721 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.252 -6.934 6.332 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.990 -0.490 0.446 1.00 0.00 N ATOM 1434 CA ILE A 90 -5.191 0.076 -0.882 1.00 0.00 C ATOM 1435 C ILE A 90 -4.897 1.572 -0.892 1.00 0.00 C ATOM 1436 O ILE A 90 -4.079 2.050 -1.678 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.630 -0.157 -1.381 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.907 -1.655 -1.525 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.853 0.559 -2.705 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.371 -1.983 -1.710 1.00 0.00 C ATOM 0 H ILE A 90 -5.765 -1.061 0.783 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.496 -0.433 -1.551 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.325 0.252 -0.647 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.346 -2.040 -2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.536 -2.172 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.874 0.385 -3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.692 1.629 -2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.153 0.177 -3.448 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.493 -3.062 -1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.935 -1.629 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.742 -1.495 -2.611 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.569 2.308 -0.011 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.378 3.751 0.084 1.00 0.00 C ATOM 1454 C HIS A 91 -3.909 4.090 0.319 1.00 0.00 C ATOM 1455 O HIS A 91 -3.295 4.814 -0.464 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.234 4.327 1.212 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.510 5.791 1.066 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.680 6.768 1.573 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.532 6.444 0.464 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -6.179 7.958 1.291 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -7.303 7.789 0.618 1.00 0.00 N ATOM 0 H HIS A 91 -6.250 1.929 0.647 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.689 4.197 -0.861 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.181 3.789 1.249 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.731 4.153 2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.371 5.991 -0.043 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.742 8.907 1.564 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.903 8.536 0.269 1.00 0.00 H new ATOM 1469 N THR A 92 -3.352 3.563 1.405 1.00 0.00 N ATOM 1470 CA THR A 92 -1.957 3.811 1.745 1.00 0.00 C ATOM 1471 C THR A 92 -1.042 3.523 0.560 1.00 0.00 C ATOM 1472 O THR A 92 -0.365 4.418 0.054 1.00 0.00 O ATOM 1473 CB THR A 92 -1.509 2.954 2.944 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.202 3.367 4.127 1.00 0.00 O ATOM 1475 CG2 THR A 92 -0.008 3.070 3.163 1.00 0.00 C ATOM 0 H THR A 92 -3.846 2.962 2.064 1.00 0.00 H new ATOM 0 HA THR A 92 -1.881 4.865 2.012 1.00 0.00 H new ATOM 0 HB THR A 92 -1.748 1.913 2.727 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.935 2.744 4.311 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.284 2.456 4.015 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.517 2.727 2.272 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.252 4.110 3.360 1.00 0.00 H new ATOM 1483 N TYR A 93 -1.027 2.270 0.121 1.00 0.00 N ATOM 1484 CA TYR A 93 -0.194 1.864 -1.004 1.00 0.00 C ATOM 1485 C TYR A 93 -0.198 2.928 -2.097 1.00 0.00 C ATOM 1486 O TYR A 93 0.814 3.586 -2.343 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.684 0.531 -1.574 1.00 0.00 C ATOM 1488 CG TYR A 93 -0.180 0.248 -2.971 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.179 0.263 -3.257 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -1.064 -0.033 -4.006 1.00 0.00 C ATOM 1491 CE1 TYR A 93 1.644 0.006 -4.532 1.00 0.00 C ATOM 1492 CE2 TYR A 93 -0.608 -0.292 -5.284 1.00 0.00 C ATOM 1493 CZ TYR A 93 0.746 -0.272 -5.542 1.00 0.00 C ATOM 1494 OH TYR A 93 1.204 -0.528 -6.814 1.00 0.00 O ATOM 0 H TYR A 93 -1.583 1.517 0.527 1.00 0.00 H new ATOM 0 HA TYR A 93 0.827 1.744 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.368 -0.276 -0.912 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.774 0.528 -1.582 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.885 0.479 -2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.126 -0.049 -3.808 1.00 0.00 H new ATOM 0 HE1 TYR A 93 2.704 0.023 -4.737 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.309 -0.509 -6.077 1.00 0.00 H new ATOM 0 HH TYR A 93 2.182 -0.472 -6.827 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.343 3.093 -2.750 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.481 4.078 -3.816 1.00 0.00 C ATOM 1506 C LEU A 94 -0.864 5.412 -3.409 1.00 0.00 C ATOM 1507 O LEU A 94 -0.373 6.163 -4.251 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.956 4.273 -4.170 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.692 3.034 -4.683 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.165 3.096 -4.310 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.527 2.902 -6.190 1.00 0.00 C ATOM 0 H LEU A 94 -2.190 2.557 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.950 3.705 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.476 4.640 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.027 5.053 -4.928 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.255 2.154 -4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.673 2.206 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.264 3.142 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.616 3.984 -4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.057 2.015 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.937 3.785 -6.680 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.468 2.811 -6.434 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.891 5.699 -2.111 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.333 6.942 -1.592 1.00 0.00 C ATOM 1525 C GLU A 95 1.191 6.882 -1.559 1.00 0.00 C ATOM 1526 O GLU A 95 1.868 7.894 -1.747 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.873 7.223 -0.188 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.778 8.684 0.219 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.621 9.005 1.438 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -2.475 8.172 1.806 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -1.426 10.091 2.024 1.00 0.00 O ATOM 0 H GLU A 95 -1.293 5.088 -1.400 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.634 7.751 -2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.915 6.908 -0.139 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.323 6.617 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.263 8.933 0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.096 9.311 -0.614 1.00 0.00 H new ATOM 1538 N LEU A 96 1.726 5.690 -1.320 1.00 0.00 N ATOM 1539 CA LEU A 96 3.170 5.496 -1.262 1.00 0.00 C ATOM 1540 C LEU A 96 3.787 5.577 -2.654 1.00 0.00 C ATOM 1541 O LEU A 96 4.893 6.090 -2.825 1.00 0.00 O ATOM 1542 CB LEU A 96 3.499 4.145 -0.624 1.00 0.00 C ATOM 1543 CG LEU A 96 2.831 3.858 0.722 1.00 0.00 C ATOM 1544 CD1 LEU A 96 3.131 2.438 1.175 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.288 4.863 1.769 1.00 0.00 C ATOM 0 H LEU A 96 1.181 4.842 -1.163 1.00 0.00 H new ATOM 0 HA LEU A 96 3.593 6.292 -0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.216 3.357 -1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.579 4.081 -0.492 1.00 0.00 H new ATOM 0 HG LEU A 96 1.752 3.957 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.648 2.252 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.753 1.733 0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.208 2.310 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.803 4.644 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.369 4.797 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.020 5.870 1.449 1.00 0.00 H new ATOM 1557 N ILE A 97 3.063 5.069 -3.646 1.00 0.00 N ATOM 1558 CA ILE A 97 3.538 5.087 -5.024 1.00 0.00 C ATOM 1559 C ILE A 97 3.376 6.471 -5.644 1.00 0.00 C ATOM 1560 O ILE A 97 4.069 6.821 -6.598 1.00 0.00 O ATOM 1561 CB ILE A 97 2.789 4.058 -5.891 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.280 4.170 -5.665 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.274 2.650 -5.580 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.458 3.392 -6.668 1.00 0.00 C ATOM 0 H ILE A 97 2.146 4.640 -3.521 1.00 0.00 H new ATOM 0 HA ILE A 97 4.596 4.826 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 97 2.997 4.269 -6.940 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.044 3.816 -4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.992 5.220 -5.708 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.735 1.934 -6.201 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.342 2.579 -5.788 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.093 2.427 -4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.602 3.518 -6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.665 3.761 -7.672 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.718 2.335 -6.610 1.00 0.00 H new ATOM 1576 N GLY A 98 2.456 7.257 -5.092 1.00 0.00 N ATOM 1577 CA GLY A 98 2.221 8.595 -5.602 1.00 0.00 C ATOM 1578 C GLY A 98 0.931 8.696 -6.392 1.00 0.00 C ATOM 1579 O GLY A 98 0.327 9.765 -6.473 1.00 0.00 O ATOM 0 H GLY A 98 1.870 6.991 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.189 9.298 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.056 8.890 -6.237 1.00 0.00 H new ATOM 1583 N ALA A 99 0.509 7.580 -6.978 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.717 7.547 -7.765 1.00 0.00 C ATOM 1585 C ALA A 99 -1.764 8.496 -7.191 1.00 0.00 C ATOM 1586 O ALA A 99 -2.517 9.127 -7.933 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.266 6.130 -7.829 1.00 0.00 C ATOM 0 H ALA A 99 0.999 6.687 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.479 7.879 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.182 6.121 -8.420 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.529 5.475 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.482 5.777 -6.820 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.805 8.592 -5.866 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.760 9.464 -5.193 1.00 0.00 C ATOM 1595 C ILE A 100 -2.072 10.318 -4.133 1.00 0.00 C ATOM 1596 O ILE A 100 -1.085 9.900 -3.529 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.891 8.656 -4.531 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.324 7.736 -3.448 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.648 7.849 -5.575 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.342 7.328 -2.406 1.00 0.00 C ATOM 0 H ILE A 100 -1.188 8.077 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.188 10.113 -5.957 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.587 9.352 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.920 6.840 -3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.493 8.239 -2.954 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.444 7.283 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.080 8.524 -6.314 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.963 7.160 -6.070 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.869 6.677 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.729 8.217 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.162 6.796 -2.888 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.602 11.517 -3.912 1.00 0.00 N ATOM 1613 CA ASN A 101 -2.039 12.430 -2.923 1.00 0.00 C ATOM 1614 C ASN A 101 -0.533 12.576 -3.113 1.00 0.00 C ATOM 1615 O ASN A 101 0.229 12.564 -2.146 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.341 11.931 -1.508 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.764 11.427 -1.364 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.678 11.915 -2.029 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -3.958 10.445 -0.492 1.00 0.00 N ATOM 0 H ASN A 101 -3.419 11.879 -4.404 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.501 13.407 -3.062 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.647 11.130 -1.252 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.171 12.739 -0.797 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.894 10.065 -0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.171 10.071 0.038 1.00 0.00 H new ATOM 1626 N PHE A 102 -0.110 12.714 -4.365 1.00 0.00 N ATOM 1627 CA PHE A 102 1.306 12.863 -4.682 1.00 0.00 C ATOM 1628 C PHE A 102 1.882 14.114 -4.026 1.00 0.00 C ATOM 1629 O PHE A 102 1.266 15.179 -4.049 1.00 0.00 O ATOM 1630 CB PHE A 102 1.507 12.928 -6.197 1.00 0.00 C ATOM 1631 CG PHE A 102 2.931 13.181 -6.603 1.00 0.00 C ATOM 1632 CD1 PHE A 102 3.912 12.233 -6.362 1.00 0.00 C ATOM 1633 CD2 PHE A 102 3.288 14.367 -7.224 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.223 12.463 -6.734 1.00 0.00 C ATOM 1635 CE2 PHE A 102 4.597 14.601 -7.599 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.566 13.649 -7.353 1.00 0.00 C ATOM 0 H PHE A 102 -0.727 12.726 -5.177 1.00 0.00 H new ATOM 0 HA PHE A 102 1.834 11.994 -4.290 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.172 11.990 -6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.876 13.717 -6.606 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.649 11.304 -5.878 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.535 15.117 -7.417 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.979 11.716 -6.541 1.00 0.00 H new ATOM 0 HE2 PHE A 102 4.862 15.529 -8.085 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.590 13.831 -7.644 1.00 0.00 H new ATOM 1646 N GLY A 103 3.068 13.977 -3.442 1.00 0.00 N ATOM 1647 CA GLY A 103 3.708 15.103 -2.787 1.00 0.00 C ATOM 1648 C GLY A 103 2.717 15.990 -2.060 1.00 0.00 C ATOM 1649 O GLY A 103 2.158 16.918 -2.646 1.00 0.00 O ATOM 0 H GLY A 103 3.598 13.106 -3.411 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.449 14.734 -2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.244 15.694 -3.529 1.00 0.00 H new ATOM 1653 N CYS A 104 2.496 15.704 -0.782 1.00 0.00 N ATOM 1654 CA CYS A 104 1.563 16.482 0.026 1.00 0.00 C ATOM 1655 C CYS A 104 1.908 16.375 1.508 1.00 0.00 C ATOM 1656 O CYS A 104 2.191 15.289 2.013 1.00 0.00 O ATOM 1657 CB CYS A 104 0.130 16.005 -0.212 1.00 0.00 C ATOM 1658 SG CYS A 104 -0.549 16.482 -1.819 1.00 0.00 S ATOM 0 H CYS A 104 2.950 14.939 -0.283 1.00 0.00 H new ATOM 0 HA CYS A 104 1.645 17.527 -0.273 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.101 14.919 -0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.510 16.405 0.574 1.00 0.00 H new ATOM 0 HG CYS A 104 0.416 16.865 -2.601 1.00 0.00 H new ATOM 1664 N GLU A 105 1.883 17.511 2.199 1.00 0.00 N ATOM 1665 CA GLU A 105 2.196 17.545 3.623 1.00 0.00 C ATOM 1666 C GLU A 105 1.298 16.586 4.400 1.00 0.00 C ATOM 1667 O GLU A 105 1.686 16.069 5.447 1.00 0.00 O ATOM 1668 CB GLU A 105 2.036 18.965 4.169 1.00 0.00 C ATOM 1669 CG GLU A 105 2.310 19.079 5.659 1.00 0.00 C ATOM 1670 CD GLU A 105 3.777 19.310 5.967 1.00 0.00 C ATOM 1671 OE1 GLU A 105 4.204 20.483 5.969 1.00 0.00 O ATOM 1672 OE2 GLU A 105 4.497 18.318 6.205 1.00 0.00 O ATOM 0 H GLU A 105 1.650 18.419 1.796 1.00 0.00 H new ATOM 0 HA GLU A 105 3.232 17.229 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.712 19.630 3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.022 19.311 3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.723 19.900 6.071 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.977 18.168 6.156 1.00 0.00 H new ATOM 1679 N GLN A 106 0.098 16.354 3.878 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.855 15.459 4.523 1.00 0.00 C ATOM 1681 C GLN A 106 -0.645 14.019 4.065 1.00 0.00 C ATOM 1682 O GLN A 106 -1.578 13.217 4.060 1.00 0.00 O ATOM 1683 CB GLN A 106 -2.288 15.899 4.219 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.836 16.914 5.209 1.00 0.00 C ATOM 1685 CD GLN A 106 -3.896 17.811 4.600 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -5.090 17.626 4.835 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -3.463 18.789 3.813 1.00 0.00 N ATOM 0 H GLN A 106 -0.237 16.773 3.011 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.689 15.507 5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.323 16.326 3.217 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.935 15.022 4.215 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.259 16.389 6.065 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -2.017 17.528 5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.463 18.905 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.130 19.424 3.375 1.00 0.00 H new ATOM 1696 N ALA A 107 0.586 13.699 3.682 1.00 0.00 N ATOM 1697 CA ALA A 107 0.919 12.356 3.224 1.00 0.00 C ATOM 1698 C ALA A 107 1.217 11.433 4.400 1.00 0.00 C ATOM 1699 O ALA A 107 1.162 11.848 5.558 1.00 0.00 O ATOM 1700 CB ALA A 107 2.105 12.401 2.272 1.00 0.00 C ATOM 0 H ALA A 107 1.370 14.352 3.680 1.00 0.00 H new ATOM 0 HA ALA A 107 0.056 11.956 2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.342 11.391 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.856 13.019 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.968 12.825 2.785 1.00 0.00 H new ATOM 1706 N VAL A 108 1.533 10.178 4.097 1.00 0.00 N ATOM 1707 CA VAL A 108 1.841 9.196 5.130 1.00 0.00 C ATOM 1708 C VAL A 108 3.332 8.880 5.161 1.00 0.00 C ATOM 1709 O VAL A 108 3.864 8.442 6.181 1.00 0.00 O ATOM 1710 CB VAL A 108 1.055 7.889 4.914 1.00 0.00 C ATOM 1711 CG1 VAL A 108 1.536 7.178 3.658 1.00 0.00 C ATOM 1712 CG2 VAL A 108 1.181 6.985 6.130 1.00 0.00 C ATOM 0 H VAL A 108 1.582 9.817 3.144 1.00 0.00 H new ATOM 0 HA VAL A 108 1.546 9.636 6.083 1.00 0.00 H new ATOM 0 HB VAL A 108 0.002 8.136 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.969 6.257 3.522 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.389 7.826 2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.595 6.941 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.620 6.066 5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.231 6.743 6.296 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.783 7.497 7.006 1.00 0.00 H new ATOM 1722 N TYR A 109 4.002 9.105 4.036 1.00 0.00 N ATOM 1723 CA TYR A 109 5.433 8.842 3.933 1.00 0.00 C ATOM 1724 C TYR A 109 6.242 9.998 4.514 1.00 0.00 C ATOM 1725 O TYR A 109 7.136 9.793 5.334 1.00 0.00 O ATOM 1726 CB TYR A 109 5.827 8.612 2.473 1.00 0.00 C ATOM 1727 CG TYR A 109 5.029 9.443 1.493 1.00 0.00 C ATOM 1728 CD1 TYR A 109 3.781 9.022 1.050 1.00 0.00 C ATOM 1729 CD2 TYR A 109 5.523 10.648 1.011 1.00 0.00 C ATOM 1730 CE1 TYR A 109 3.050 9.777 0.154 1.00 0.00 C ATOM 1731 CE2 TYR A 109 4.798 11.411 0.115 1.00 0.00 C ATOM 1732 CZ TYR A 109 3.562 10.970 -0.310 1.00 0.00 C ATOM 1733 OH TYR A 109 2.835 11.726 -1.202 1.00 0.00 O ATOM 0 H TYR A 109 3.577 9.469 3.183 1.00 0.00 H new ATOM 0 HA TYR A 109 5.654 7.942 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.886 8.839 2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.697 7.557 2.232 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.376 8.089 1.412 1.00 0.00 H new ATOM 0 HD2 TYR A 109 6.491 10.995 1.342 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.082 9.435 -0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 109 5.197 12.346 -0.250 1.00 0.00 H new ATOM 0 HH TYR A 109 1.878 11.590 -1.042 1.00 0.00 H new ATOM 1743 N ASN A 110 5.920 11.213 4.082 1.00 0.00 N ATOM 1744 CA ASN A 110 6.616 12.403 4.559 1.00 0.00 C ATOM 1745 C ASN A 110 7.020 12.247 6.022 1.00 0.00 C ATOM 1746 O ASN A 110 8.122 12.629 6.416 1.00 0.00 O ATOM 1747 CB ASN A 110 5.730 13.639 4.391 1.00 0.00 C ATOM 1748 CG ASN A 110 4.313 13.404 4.877 1.00 0.00 C ATOM 1749 OD1 ASN A 110 3.979 12.317 5.350 1.00 0.00 O ATOM 1750 ND2 ASN A 110 3.472 14.425 4.763 1.00 0.00 N ATOM 0 H ASN A 110 5.182 11.400 3.403 1.00 0.00 H new ATOM 0 HA ASN A 110 7.520 12.529 3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 110 6.166 14.473 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.708 13.927 3.340 1.00 0.00 H new ATOM 0 HD21 ASN A 110 2.505 14.327 5.074 1.00 0.00 H new ATOM 0 HD22 ASN A 110 3.792 15.308 4.365 1.00 0.00 H new ATOM 1757 N ARG A 111 6.121 11.683 6.821 1.00 0.00 N ATOM 1758 CA ARG A 111 6.383 11.477 8.241 1.00 0.00 C ATOM 1759 C ARG A 111 6.864 10.053 8.504 1.00 0.00 C ATOM 1760 O ARG A 111 7.691 9.820 9.385 1.00 0.00 O ATOM 1761 CB ARG A 111 5.123 11.762 9.061 1.00 0.00 C ATOM 1762 CG ARG A 111 3.947 10.871 8.697 1.00 0.00 C ATOM 1763 CD ARG A 111 3.968 9.571 9.486 1.00 0.00 C ATOM 1764 NE ARG A 111 2.758 8.781 9.272 1.00 0.00 N ATOM 1765 CZ ARG A 111 2.464 7.685 9.963 1.00 0.00 C ATOM 1766 NH1 ARG A 111 3.288 7.252 10.907 1.00 0.00 N ATOM 1767 NH2 ARG A 111 1.344 7.021 9.710 1.00 0.00 N ATOM 0 H ARG A 111 5.205 11.360 6.510 1.00 0.00 H new ATOM 0 HA ARG A 111 7.169 12.169 8.544 1.00 0.00 H new ATOM 0 HB2 ARG A 111 5.351 11.634 10.119 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.836 12.804 8.921 1.00 0.00 H new ATOM 0 HG2 ARG A 111 3.014 11.401 8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.973 10.651 7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 111 4.840 8.985 9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 111 4.073 9.793 10.548 1.00 0.00 H new ATOM 0 HE ARG A 111 2.103 9.088 8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.150 7.761 11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.060 6.410 11.436 1.00 0.00 H new ATOM 0 HH21 ARG A 111 0.708 7.352 8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 111 1.119 6.180 10.241 1.00 0.00 H new