USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 834 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 13 THR OG1 : rot 38:sc= 0.0202 USER MOD Single : A 24 GLN : amide:sc= -0.073 K(o=-0.073,f=-0.59) USER MOD Single : A 29 CYS SG : rot 65:sc= 0.312 USER MOD Single : A 30 HIS : no HD1:sc= -0.922 K(o=-0.92,f=-0.23) USER MOD Single : A 32 HIS : no HD1:sc= -2.05 K(o=-2,f=-1.3) USER MOD Single : A 33 THR OG1 : rot 141:sc= -2.21! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.017) USER MOD Single : A 38 CYS SG : rot -130:sc= -3.33 USER MOD Single : A 42 SER OG : rot 58:sc= -0.422 USER MOD Single : A 51 GLN : amide:sc= -1.48 K(o=-1.5,f=-6.2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.851 USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= -0.11 (180deg=-1.83!) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= -5.57! (180deg=-6.39!) USER MOD Single : A 65 MET CE :methyl -120:sc= -2.4! (180deg=-6.77!) USER MOD Single : A 70 GLN : amide:sc= -0.411 K(o=-0.41,f=-1.2) USER MOD Single : A 74 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.065) USER MOD Single : A 75 HIS : no HD1:sc= -0.844 X(o=-0.84,f=-0.82) USER MOD Single : A 76 GLN : amide:sc= -0.0172 K(o=-0.017,f=-0.97) USER MOD Single : A 84 HIS : no HE2:sc= -5.07! C(o=-5.1!,f=-3.7!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -156:sc= -0.982 (180deg=-2.6) USER MOD Single : A 91 HIS : no HD1:sc= -9.02! C(o=-9!,f=-8.1!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -89:sc= 1.12 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl -172:sc= -0.271 (180deg=-0.519) USER MOD Single : A 103 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0291) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N THR A 13 -4.292 11.855 7.120 1.00 0.00 N ATOM 143 CA THR A 13 -3.889 10.499 7.449 1.00 0.00 C ATOM 144 C THR A 13 -2.427 10.470 7.897 1.00 0.00 C ATOM 145 O THR A 13 -1.573 11.107 7.282 1.00 0.00 O ATOM 146 CB THR A 13 -4.170 9.614 6.232 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.580 9.412 6.268 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.588 8.207 6.385 1.00 0.00 C ATOM 0 HA THR A 13 -4.461 10.110 8.291 1.00 0.00 H new ATOM 0 HB THR A 13 -3.757 10.083 5.339 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.021 10.237 6.560 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.815 7.620 5.495 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.507 8.272 6.510 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.026 7.725 7.259 1.00 0.00 H new ATOM 156 N LEU A 14 -2.183 9.725 8.965 1.00 0.00 N ATOM 157 CA LEU A 14 -0.838 9.605 9.502 1.00 0.00 C ATOM 158 C LEU A 14 -0.082 8.518 8.736 1.00 0.00 C ATOM 159 O LEU A 14 -0.649 7.476 8.408 1.00 0.00 O ATOM 160 CB LEU A 14 -0.884 9.373 11.014 1.00 0.00 C ATOM 161 CG LEU A 14 -1.586 10.454 11.838 1.00 0.00 C ATOM 162 CD1 LEU A 14 -2.231 9.857 13.090 1.00 0.00 C ATOM 163 CD2 LEU A 14 -0.624 11.595 12.177 1.00 0.00 C ATOM 0 H LEU A 14 -2.894 9.198 9.473 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.288 10.535 9.362 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.382 8.422 11.200 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.139 9.274 11.378 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.388 10.877 11.234 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.723 10.647 13.658 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.967 9.108 12.798 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.463 9.391 13.708 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.148 12.350 12.763 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.214 11.205 12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.253 12.044 11.256 1.00 0.00 H new ATOM 175 N ILE A 15 1.186 8.798 8.472 1.00 0.00 N ATOM 176 CA ILE A 15 2.025 7.856 7.750 1.00 0.00 C ATOM 177 C ILE A 15 2.130 6.556 8.549 1.00 0.00 C ATOM 178 O ILE A 15 2.077 5.467 7.979 1.00 0.00 O ATOM 179 CB ILE A 15 3.380 8.488 7.423 1.00 0.00 C ATOM 180 CG1 ILE A 15 4.274 7.506 6.664 1.00 0.00 C ATOM 181 CG2 ILE A 15 4.057 9.019 8.689 1.00 0.00 C ATOM 182 CD1 ILE A 15 5.576 8.177 6.224 1.00 0.00 C ATOM 0 H ILE A 15 1.653 9.663 8.745 1.00 0.00 H new ATOM 0 HA ILE A 15 1.576 7.604 6.789 1.00 0.00 H new ATOM 0 HB ILE A 15 3.210 9.341 6.767 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.499 6.649 7.298 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.744 7.126 5.791 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.018 9.463 8.429 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.422 9.774 9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.214 8.198 9.389 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.193 7.457 5.687 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.349 9.019 5.570 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.116 8.534 7.101 1.00 0.00 H new ATOM 194 N GLU A 16 2.276 6.712 9.856 1.00 0.00 N ATOM 195 CA GLU A 16 2.388 5.564 10.739 1.00 0.00 C ATOM 196 C GLU A 16 1.071 4.787 10.770 1.00 0.00 C ATOM 197 O GLU A 16 1.048 3.610 11.127 1.00 0.00 O ATOM 198 CB GLU A 16 2.804 5.993 12.148 1.00 0.00 C ATOM 199 CG GLU A 16 4.321 6.173 12.240 1.00 0.00 C ATOM 200 CD GLU A 16 4.972 4.982 12.946 1.00 0.00 C ATOM 201 OE1 GLU A 16 4.583 4.728 14.107 1.00 0.00 O ATOM 202 OE2 GLU A 16 5.844 4.352 12.309 1.00 0.00 O ATOM 0 H GLU A 16 2.319 7.617 10.325 1.00 0.00 H new ATOM 0 HA GLU A 16 3.166 4.907 10.350 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.307 6.927 12.410 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.478 5.245 12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.740 6.280 11.239 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.550 7.091 12.781 1.00 0.00 H new ATOM 209 N ASP A 17 0.005 5.477 10.392 1.00 0.00 N ATOM 210 CA ASP A 17 -1.314 4.866 10.371 1.00 0.00 C ATOM 211 C ASP A 17 -1.446 3.991 9.124 1.00 0.00 C ATOM 212 O ASP A 17 -2.175 3.000 9.131 1.00 0.00 O ATOM 213 CB ASP A 17 -2.412 5.930 10.321 1.00 0.00 C ATOM 214 CG ASP A 17 -3.208 6.099 11.618 1.00 0.00 C ATOM 215 OD1 ASP A 17 -2.657 5.723 12.675 1.00 0.00 O ATOM 216 OD2 ASP A 17 -4.348 6.601 11.522 1.00 0.00 O ATOM 0 H ASP A 17 0.027 6.453 10.098 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.426 4.274 11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.958 6.887 10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.104 5.679 9.517 1.00 0.00 H new ATOM 221 N VAL A 18 -0.731 4.389 8.082 1.00 0.00 N ATOM 222 CA VAL A 18 -0.760 3.652 6.829 1.00 0.00 C ATOM 223 C VAL A 18 0.357 2.606 6.832 1.00 0.00 C ATOM 224 O VAL A 18 0.315 1.647 6.063 1.00 0.00 O ATOM 225 CB VAL A 18 -0.667 4.623 5.650 1.00 0.00 C ATOM 226 CG1 VAL A 18 -0.834 3.886 4.319 1.00 0.00 C ATOM 227 CG2 VAL A 18 -1.693 5.749 5.785 1.00 0.00 C ATOM 0 H VAL A 18 -0.128 5.212 8.079 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.704 3.119 6.720 1.00 0.00 H new ATOM 0 HB VAL A 18 0.326 5.072 5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.764 4.599 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.049 3.136 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.808 3.397 4.293 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.606 6.425 4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.697 5.325 5.810 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.509 6.301 6.707 1.00 0.00 H new ATOM 237 N LEU A 19 1.329 2.827 7.705 1.00 0.00 N ATOM 238 CA LEU A 19 2.455 1.915 7.818 1.00 0.00 C ATOM 239 C LEU A 19 2.154 0.872 8.896 1.00 0.00 C ATOM 240 O LEU A 19 2.629 -0.260 8.818 1.00 0.00 O ATOM 241 CB LEU A 19 3.751 2.692 8.057 1.00 0.00 C ATOM 242 CG LEU A 19 4.425 3.272 6.812 1.00 0.00 C ATOM 243 CD1 LEU A 19 5.475 2.307 6.257 1.00 0.00 C ATOM 244 CD2 LEU A 19 3.387 3.658 5.756 1.00 0.00 C ATOM 0 H LEU A 19 1.360 3.624 8.341 1.00 0.00 H new ATOM 0 HA LEU A 19 2.603 1.374 6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.539 3.510 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.460 2.032 8.556 1.00 0.00 H new ATOM 0 HG LEU A 19 4.946 4.185 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.939 2.743 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.238 2.124 7.014 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.997 1.365 5.989 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.893 4.068 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.818 2.775 5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.710 4.407 6.168 1.00 0.00 H new ATOM 256 N ARG A 20 1.369 1.291 9.877 1.00 0.00 N ATOM 257 CA ARG A 20 1.000 0.407 10.970 1.00 0.00 C ATOM 258 C ARG A 20 0.509 -0.935 10.424 1.00 0.00 C ATOM 259 O ARG A 20 0.987 -1.990 10.838 1.00 0.00 O ATOM 260 CB ARG A 20 -0.098 1.030 11.835 1.00 0.00 C ATOM 261 CG ARG A 20 0.378 1.210 13.278 1.00 0.00 C ATOM 262 CD ARG A 20 1.373 2.368 13.387 1.00 0.00 C ATOM 263 NE ARG A 20 2.084 2.304 14.683 1.00 0.00 N ATOM 264 CZ ARG A 20 3.082 1.452 14.951 1.00 0.00 C ATOM 265 NH1 ARG A 20 3.494 0.586 14.015 1.00 0.00 N ATOM 266 NH2 ARG A 20 3.670 1.465 16.156 1.00 0.00 N ATOM 0 H ARG A 20 0.978 2.231 9.938 1.00 0.00 H new ATOM 0 HA ARG A 20 1.887 0.251 11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.389 1.995 11.421 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.984 0.396 11.817 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.478 1.399 13.926 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.846 0.290 13.628 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.090 2.321 12.567 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.848 3.319 13.297 1.00 0.00 H new ATOM 0 HE ARG A 20 1.796 2.949 15.419 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.047 0.576 13.098 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.254 -0.063 14.220 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.357 2.124 16.869 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.430 0.816 16.360 1.00 0.00 H new ATOM 280 N PRO A 21 -0.464 -0.850 9.477 1.00 0.00 N ATOM 281 CA PRO A 21 -1.024 -2.045 8.870 1.00 0.00 C ATOM 282 C PRO A 21 -0.049 -2.657 7.862 1.00 0.00 C ATOM 283 O PRO A 21 0.240 -3.852 7.919 1.00 0.00 O ATOM 284 CB PRO A 21 -2.327 -1.589 8.234 1.00 0.00 C ATOM 285 CG PRO A 21 -2.222 -0.078 8.106 1.00 0.00 C ATOM 286 CD PRO A 21 -1.053 0.382 8.961 1.00 0.00 C ATOM 0 HA PRO A 21 -1.206 -2.839 9.594 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -2.469 -2.055 7.259 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.181 -1.870 8.849 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -2.069 0.207 7.065 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.146 0.398 8.435 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.332 0.950 8.373 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.386 1.031 9.771 1.00 0.00 H new ATOM 294 N LEU A 22 0.431 -1.811 6.963 1.00 0.00 N ATOM 295 CA LEU A 22 1.367 -2.254 5.944 1.00 0.00 C ATOM 296 C LEU A 22 2.458 -3.107 6.595 1.00 0.00 C ATOM 297 O LEU A 22 2.871 -4.123 6.039 1.00 0.00 O ATOM 298 CB LEU A 22 1.909 -1.058 5.158 1.00 0.00 C ATOM 299 CG LEU A 22 1.129 -0.674 3.899 1.00 0.00 C ATOM 300 CD1 LEU A 22 1.596 0.678 3.356 1.00 0.00 C ATOM 301 CD2 LEU A 22 1.215 -1.777 2.843 1.00 0.00 C ATOM 0 H LEU A 22 0.189 -0.821 6.919 1.00 0.00 H new ATOM 0 HA LEU A 22 0.863 -2.885 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.936 -0.194 5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.939 -1.273 4.872 1.00 0.00 H new ATOM 0 HG LEU A 22 0.078 -0.567 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.026 0.927 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.440 1.447 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.656 0.624 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.652 -1.479 1.959 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.258 -1.940 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.796 -2.699 3.245 1.00 0.00 H new ATOM 313 N GLU A 23 2.893 -2.661 7.765 1.00 0.00 N ATOM 314 CA GLU A 23 3.927 -3.371 8.498 1.00 0.00 C ATOM 315 C GLU A 23 3.356 -4.646 9.121 1.00 0.00 C ATOM 316 O GLU A 23 3.976 -5.706 9.054 1.00 0.00 O ATOM 317 CB GLU A 23 4.557 -2.473 9.565 1.00 0.00 C ATOM 318 CG GLU A 23 5.771 -1.728 9.008 1.00 0.00 C ATOM 319 CD GLU A 23 6.756 -1.373 10.124 1.00 0.00 C ATOM 320 OE1 GLU A 23 6.533 -0.323 10.764 1.00 0.00 O ATOM 321 OE2 GLU A 23 7.709 -2.159 10.311 1.00 0.00 O ATOM 0 H GLU A 23 2.548 -1.817 8.223 1.00 0.00 H new ATOM 0 HA GLU A 23 4.713 -3.653 7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.819 -1.756 9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.858 -3.076 10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.270 -2.345 8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.444 -0.819 8.504 1.00 0.00 H new ATOM 328 N GLN A 24 2.180 -4.501 9.715 1.00 0.00 N ATOM 329 CA GLN A 24 1.519 -5.628 10.350 1.00 0.00 C ATOM 330 C GLN A 24 1.440 -6.811 9.382 1.00 0.00 C ATOM 331 O GLN A 24 1.701 -7.950 9.766 1.00 0.00 O ATOM 332 CB GLN A 24 0.127 -5.236 10.851 1.00 0.00 C ATOM 333 CG GLN A 24 0.217 -4.460 12.166 1.00 0.00 C ATOM 334 CD GLN A 24 0.394 -5.409 13.353 1.00 0.00 C ATOM 335 OE1 GLN A 24 -0.256 -6.435 13.462 1.00 0.00 O ATOM 336 NE2 GLN A 24 1.309 -5.011 14.232 1.00 0.00 N ATOM 0 H GLN A 24 1.668 -3.620 9.770 1.00 0.00 H new ATOM 0 HA GLN A 24 2.109 -5.930 11.215 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.376 -4.628 10.099 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.478 -6.132 10.994 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.055 -3.764 12.125 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.686 -3.865 12.303 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.818 -4.140 14.080 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.502 -5.577 15.059 1.00 0.00 H new ATOM 345 N ALA A 25 1.078 -6.501 8.146 1.00 0.00 N ATOM 346 CA ALA A 25 0.961 -7.524 7.121 1.00 0.00 C ATOM 347 C ALA A 25 2.326 -8.178 6.902 1.00 0.00 C ATOM 348 O ALA A 25 2.440 -9.403 6.909 1.00 0.00 O ATOM 349 CB ALA A 25 0.400 -6.902 5.841 1.00 0.00 C ATOM 0 H ALA A 25 0.862 -5.555 7.831 1.00 0.00 H new ATOM 0 HA ALA A 25 0.268 -8.305 7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.312 -7.669 5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.583 -6.477 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.071 -6.116 5.494 1.00 0.00 H new ATOM 355 N LEU A 26 3.329 -7.333 6.712 1.00 0.00 N ATOM 356 CA LEU A 26 4.682 -7.813 6.491 1.00 0.00 C ATOM 357 C LEU A 26 5.050 -8.810 7.591 1.00 0.00 C ATOM 358 O LEU A 26 5.395 -9.956 7.306 1.00 0.00 O ATOM 359 CB LEU A 26 5.655 -6.639 6.374 1.00 0.00 C ATOM 360 CG LEU A 26 7.067 -6.983 5.893 1.00 0.00 C ATOM 361 CD1 LEU A 26 7.022 -7.797 4.599 1.00 0.00 C ATOM 362 CD2 LEU A 26 7.919 -5.720 5.747 1.00 0.00 C ATOM 0 H LEU A 26 3.231 -6.318 6.707 1.00 0.00 H new ATOM 0 HA LEU A 26 4.747 -8.346 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.228 -5.906 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.732 -6.158 7.349 1.00 0.00 H new ATOM 0 HG LEU A 26 7.543 -7.607 6.649 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.038 -8.028 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.476 -8.725 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.520 -7.219 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.917 -5.992 5.404 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.456 -5.051 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.991 -5.216 6.711 1.00 0.00 H new ATOM 374 N GLU A 27 4.964 -8.338 8.826 1.00 0.00 N ATOM 375 CA GLU A 27 5.284 -9.174 9.971 1.00 0.00 C ATOM 376 C GLU A 27 4.751 -10.593 9.758 1.00 0.00 C ATOM 377 O GLU A 27 5.405 -11.567 10.126 1.00 0.00 O ATOM 378 CB GLU A 27 4.732 -8.569 11.263 1.00 0.00 C ATOM 379 CG GLU A 27 5.651 -7.464 11.787 1.00 0.00 C ATOM 380 CD GLU A 27 5.084 -6.839 13.063 1.00 0.00 C ATOM 381 OE1 GLU A 27 4.106 -6.071 12.933 1.00 0.00 O ATOM 382 OE2 GLU A 27 5.641 -7.142 14.140 1.00 0.00 O ATOM 0 H GLU A 27 4.677 -7.387 9.059 1.00 0.00 H new ATOM 0 HA GLU A 27 6.369 -9.225 10.067 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.736 -8.164 11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.627 -9.348 12.018 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.641 -7.874 11.987 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.773 -6.695 11.024 1.00 0.00 H new ATOM 389 N ASP A 28 3.569 -10.663 9.165 1.00 0.00 N ATOM 390 CA ASP A 28 2.940 -11.946 8.898 1.00 0.00 C ATOM 391 C ASP A 28 3.674 -12.640 7.749 1.00 0.00 C ATOM 392 O ASP A 28 4.029 -13.813 7.853 1.00 0.00 O ATOM 393 CB ASP A 28 1.477 -11.767 8.486 1.00 0.00 C ATOM 394 CG ASP A 28 0.458 -12.425 9.418 1.00 0.00 C ATOM 395 OD1 ASP A 28 0.431 -13.675 9.438 1.00 0.00 O ATOM 396 OD2 ASP A 28 -0.271 -11.664 10.089 1.00 0.00 O ATOM 0 H ASP A 28 3.030 -9.852 8.862 1.00 0.00 H new ATOM 0 HA ASP A 28 2.987 -12.541 9.810 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.259 -10.701 8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.345 -12.173 7.483 1.00 0.00 H new ATOM 401 N CYS A 29 3.880 -11.885 6.680 1.00 0.00 N ATOM 402 CA CYS A 29 4.565 -12.413 5.512 1.00 0.00 C ATOM 403 C CYS A 29 5.957 -12.881 5.943 1.00 0.00 C ATOM 404 O CYS A 29 6.342 -14.020 5.682 1.00 0.00 O ATOM 405 CB CYS A 29 4.633 -11.384 4.382 1.00 0.00 C ATOM 406 SG CYS A 29 2.948 -10.815 3.952 1.00 0.00 S ATOM 0 H CYS A 29 3.585 -10.912 6.598 1.00 0.00 H new ATOM 0 HA CYS A 29 4.006 -13.258 5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.245 -10.536 4.688 1.00 0.00 H new ATOM 0 HB3 CYS A 29 5.112 -11.824 3.507 1.00 0.00 H new ATOM 0 HG CYS A 29 2.432 -10.183 4.964 1.00 0.00 H new ATOM 412 N HIS A 30 6.674 -11.978 6.596 1.00 0.00 N ATOM 413 CA HIS A 30 8.015 -12.283 7.065 1.00 0.00 C ATOM 414 C HIS A 30 8.015 -13.643 7.767 1.00 0.00 C ATOM 415 O HIS A 30 9.015 -14.360 7.738 1.00 0.00 O ATOM 416 CB HIS A 30 8.549 -11.158 7.952 1.00 0.00 C ATOM 417 CG HIS A 30 9.353 -11.638 9.137 1.00 0.00 C ATOM 418 ND1 HIS A 30 10.720 -11.449 9.242 1.00 0.00 N ATOM 419 CD2 HIS A 30 8.969 -12.301 10.265 1.00 0.00 C ATOM 420 CE1 HIS A 30 11.129 -11.979 10.385 1.00 0.00 C ATOM 421 NE2 HIS A 30 10.042 -12.507 11.017 1.00 0.00 N ATOM 0 H HIS A 30 6.351 -11.035 6.811 1.00 0.00 H new ATOM 0 HA HIS A 30 8.695 -12.351 6.216 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.171 -10.497 7.348 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.709 -10.564 8.313 1.00 0.00 H new ATOM 0 HD2 HIS A 30 7.961 -12.607 10.505 1.00 0.00 H new ATOM 0 HE1 HIS A 30 12.145 -11.991 10.752 1.00 0.00 H new ATOM 0 HE2 HIS A 30 10.052 -12.982 11.920 1.00 0.00 H new ATOM 429 N GLY A 31 6.884 -13.957 8.380 1.00 0.00 N ATOM 430 CA GLY A 31 6.741 -15.217 9.088 1.00 0.00 C ATOM 431 C GLY A 31 5.766 -16.146 8.363 1.00 0.00 C ATOM 432 O GLY A 31 5.023 -16.892 8.999 1.00 0.00 O ATOM 0 H GLY A 31 6.057 -13.360 8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.714 -15.701 9.175 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.386 -15.030 10.101 1.00 0.00 H new ATOM 436 N HIS A 32 5.800 -16.071 7.040 1.00 0.00 N ATOM 437 CA HIS A 32 4.928 -16.896 6.221 1.00 0.00 C ATOM 438 C HIS A 32 5.483 -16.972 4.797 1.00 0.00 C ATOM 439 O HIS A 32 5.853 -18.048 4.328 1.00 0.00 O ATOM 440 CB HIS A 32 3.488 -16.380 6.270 1.00 0.00 C ATOM 441 CG HIS A 32 2.699 -16.873 7.459 1.00 0.00 C ATOM 442 ND1 HIS A 32 2.190 -18.157 7.541 1.00 0.00 N ATOM 443 CD2 HIS A 32 2.339 -16.242 8.613 1.00 0.00 C ATOM 444 CE1 HIS A 32 1.553 -18.282 8.696 1.00 0.00 C ATOM 445 NE2 HIS A 32 1.646 -17.093 9.359 1.00 0.00 N ATOM 0 H HIS A 32 6.418 -15.452 6.515 1.00 0.00 H new ATOM 0 HA HIS A 32 4.902 -17.911 6.618 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.504 -15.290 6.284 1.00 0.00 H new ATOM 0 HB3 HIS A 32 2.974 -16.680 5.357 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.578 -15.222 8.876 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.049 -19.169 9.050 1.00 0.00 H new ATOM 0 HE2 HIS A 32 1.248 -16.892 10.277 1.00 0.00 H new ATOM 453 N THR A 33 5.523 -15.817 4.150 1.00 0.00 N ATOM 454 CA THR A 33 6.026 -15.740 2.789 1.00 0.00 C ATOM 455 C THR A 33 7.531 -16.012 2.760 1.00 0.00 C ATOM 456 O THR A 33 8.188 -15.999 3.801 1.00 0.00 O ATOM 457 CB THR A 33 5.645 -14.371 2.221 1.00 0.00 C ATOM 458 OG1 THR A 33 4.261 -14.497 1.910 1.00 0.00 O ATOM 459 CG2 THR A 33 6.307 -14.092 0.870 1.00 0.00 C ATOM 0 H THR A 33 5.216 -14.927 4.543 1.00 0.00 H new ATOM 0 HA THR A 33 5.577 -16.507 2.158 1.00 0.00 H new ATOM 0 HB THR A 33 5.927 -13.593 2.930 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.797 -13.666 2.141 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.003 -13.108 0.512 1.00 0.00 H new ATOM 0 HG22 THR A 33 7.391 -14.118 0.984 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.999 -14.851 0.150 1.00 0.00 H new ATOM 467 N LYS A 34 8.035 -16.251 1.558 1.00 0.00 N ATOM 468 CA LYS A 34 9.450 -16.526 1.381 1.00 0.00 C ATOM 469 C LYS A 34 10.268 -15.431 2.068 1.00 0.00 C ATOM 470 O LYS A 34 9.715 -14.429 2.520 1.00 0.00 O ATOM 471 CB LYS A 34 9.780 -16.700 -0.103 1.00 0.00 C ATOM 472 CG LYS A 34 8.927 -17.805 -0.728 1.00 0.00 C ATOM 473 CD LYS A 34 7.695 -17.221 -1.422 1.00 0.00 C ATOM 474 CE LYS A 34 7.622 -17.672 -2.882 1.00 0.00 C ATOM 475 NZ LYS A 34 6.245 -18.089 -3.228 1.00 0.00 N ATOM 0 H LYS A 34 7.488 -16.260 0.697 1.00 0.00 H new ATOM 0 HA LYS A 34 9.717 -17.470 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.609 -15.761 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.837 -16.942 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.523 -18.366 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.615 -18.509 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.794 -17.535 -0.895 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.729 -16.133 -1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.937 -16.859 -3.536 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.311 -18.500 -3.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.214 -18.392 -4.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.957 -18.879 -2.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.595 -17.289 -3.089 1.00 0.00 H new ATOM 489 N LYS A 35 11.572 -15.658 2.125 1.00 0.00 N ATOM 490 CA LYS A 35 12.472 -14.703 2.750 1.00 0.00 C ATOM 491 C LYS A 35 12.876 -13.643 1.723 1.00 0.00 C ATOM 492 O LYS A 35 12.887 -12.451 2.028 1.00 0.00 O ATOM 493 CB LYS A 35 13.660 -15.425 3.389 1.00 0.00 C ATOM 494 CG LYS A 35 14.728 -14.427 3.843 1.00 0.00 C ATOM 495 CD LYS A 35 15.683 -14.087 2.697 1.00 0.00 C ATOM 496 CE LYS A 35 17.050 -14.738 2.912 1.00 0.00 C ATOM 497 NZ LYS A 35 18.042 -14.186 1.962 1.00 0.00 N ATOM 0 H LYS A 35 12.027 -16.490 1.749 1.00 0.00 H new ATOM 0 HA LYS A 35 11.969 -14.183 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.318 -16.011 4.242 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.092 -16.125 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.250 -13.517 4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.290 -14.845 4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.259 -14.427 1.752 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.799 -13.006 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.384 -14.567 3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.971 -15.817 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.965 -14.639 2.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.730 -14.371 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.130 -13.160 2.109 1.00 0.00 H new ATOM 511 N GLN A 36 13.197 -14.115 0.528 1.00 0.00 N ATOM 512 CA GLN A 36 13.600 -13.222 -0.545 1.00 0.00 C ATOM 513 C GLN A 36 12.405 -12.398 -1.028 1.00 0.00 C ATOM 514 O GLN A 36 12.567 -11.261 -1.468 1.00 0.00 O ATOM 515 CB GLN A 36 14.230 -14.003 -1.700 1.00 0.00 C ATOM 516 CG GLN A 36 13.266 -15.064 -2.235 1.00 0.00 C ATOM 517 CD GLN A 36 13.599 -15.428 -3.683 1.00 0.00 C ATOM 518 OE1 GLN A 36 13.524 -14.613 -4.588 1.00 0.00 O ATOM 519 NE2 GLN A 36 13.970 -16.694 -3.852 1.00 0.00 N ATOM 0 H GLN A 36 13.186 -15.104 0.279 1.00 0.00 H new ATOM 0 HA GLN A 36 14.355 -12.538 -0.157 1.00 0.00 H new ATOM 0 HB2 GLN A 36 14.502 -13.317 -2.502 1.00 0.00 H new ATOM 0 HB3 GLN A 36 15.150 -14.480 -1.362 1.00 0.00 H new ATOM 0 HG2 GLN A 36 13.319 -15.956 -1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 36 12.243 -14.694 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.012 -17.324 -3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.213 -17.034 -4.782 1.00 0.00 H new ATOM 528 N VAL A 37 11.231 -13.004 -0.929 1.00 0.00 N ATOM 529 CA VAL A 37 10.009 -12.340 -1.350 1.00 0.00 C ATOM 530 C VAL A 37 9.613 -11.297 -0.303 1.00 0.00 C ATOM 531 O VAL A 37 9.182 -10.198 -0.649 1.00 0.00 O ATOM 532 CB VAL A 37 8.912 -13.376 -1.606 1.00 0.00 C ATOM 533 CG1 VAL A 37 7.595 -12.697 -1.988 1.00 0.00 C ATOM 534 CG2 VAL A 37 9.344 -14.378 -2.679 1.00 0.00 C ATOM 0 H VAL A 37 11.100 -13.947 -0.564 1.00 0.00 H new ATOM 0 HA VAL A 37 10.166 -11.813 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 37 8.748 -13.927 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.832 -13.456 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.275 -12.042 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.738 -12.109 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.547 -15.103 -2.842 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.549 -13.849 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.245 -14.897 -2.351 1.00 0.00 H new ATOM 544 N CYS A 38 9.773 -11.679 0.956 1.00 0.00 N ATOM 545 CA CYS A 38 9.438 -10.790 2.055 1.00 0.00 C ATOM 546 C CYS A 38 10.398 -9.599 2.020 1.00 0.00 C ATOM 547 O CYS A 38 9.964 -8.448 2.026 1.00 0.00 O ATOM 548 CB CYS A 38 9.479 -11.516 3.402 1.00 0.00 C ATOM 549 SG CYS A 38 9.428 -10.301 4.769 1.00 0.00 S ATOM 0 H CYS A 38 10.130 -12.592 1.239 1.00 0.00 H new ATOM 0 HA CYS A 38 8.414 -10.434 1.939 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.635 -12.201 3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.385 -12.118 3.473 1.00 0.00 H new ATOM 0 HG CYS A 38 10.383 -10.557 5.613 1.00 0.00 H new ATOM 555 N ASP A 39 11.683 -9.916 1.984 1.00 0.00 N ATOM 556 CA ASP A 39 12.708 -8.887 1.948 1.00 0.00 C ATOM 557 C ASP A 39 12.422 -7.929 0.789 1.00 0.00 C ATOM 558 O ASP A 39 12.686 -6.732 0.889 1.00 0.00 O ATOM 559 CB ASP A 39 14.094 -9.496 1.727 1.00 0.00 C ATOM 560 CG ASP A 39 15.173 -9.020 2.701 1.00 0.00 C ATOM 561 OD1 ASP A 39 14.790 -8.635 3.828 1.00 0.00 O ATOM 562 OD2 ASP A 39 16.355 -9.050 2.298 1.00 0.00 O ATOM 0 H ASP A 39 12.039 -10.872 1.979 1.00 0.00 H new ATOM 0 HA ASP A 39 12.693 -8.363 2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.013 -10.581 1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.417 -9.268 0.711 1.00 0.00 H new ATOM 567 N ASP A 40 11.886 -8.493 -0.283 1.00 0.00 N ATOM 568 CA ASP A 40 11.561 -7.704 -1.460 1.00 0.00 C ATOM 569 C ASP A 40 10.449 -6.712 -1.112 1.00 0.00 C ATOM 570 O ASP A 40 10.547 -5.528 -1.432 1.00 0.00 O ATOM 571 CB ASP A 40 11.062 -8.595 -2.599 1.00 0.00 C ATOM 572 CG ASP A 40 11.463 -8.136 -4.002 1.00 0.00 C ATOM 573 OD1 ASP A 40 12.507 -7.455 -4.100 1.00 0.00 O ATOM 574 OD2 ASP A 40 10.717 -8.476 -4.946 1.00 0.00 O ATOM 0 H ASP A 40 11.668 -9.486 -0.362 1.00 0.00 H new ATOM 0 HA ASP A 40 12.465 -7.184 -1.779 1.00 0.00 H new ATOM 0 HB2 ASP A 40 11.440 -9.605 -2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.975 -8.650 -2.548 1.00 0.00 H new ATOM 579 N ILE A 41 9.418 -7.232 -0.463 1.00 0.00 N ATOM 580 CA ILE A 41 8.289 -6.407 -0.069 1.00 0.00 C ATOM 581 C ILE A 41 8.782 -5.272 0.831 1.00 0.00 C ATOM 582 O ILE A 41 8.567 -4.099 0.531 1.00 0.00 O ATOM 583 CB ILE A 41 7.194 -7.265 0.568 1.00 0.00 C ATOM 584 CG1 ILE A 41 6.595 -8.235 -0.453 1.00 0.00 C ATOM 585 CG2 ILE A 41 6.124 -6.391 1.225 1.00 0.00 C ATOM 586 CD1 ILE A 41 5.594 -9.182 0.212 1.00 0.00 C ATOM 0 H ILE A 41 9.341 -8.215 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 41 7.831 -5.945 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 41 7.646 -7.866 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.099 -7.674 -1.245 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.392 -8.813 -0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.358 -7.026 1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.582 -5.777 2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.669 -5.746 0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.183 -9.861 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.098 -9.759 0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.786 -8.602 0.659 1.00 0.00 H new ATOM 598 N SER A 42 9.433 -5.661 1.917 1.00 0.00 N ATOM 599 CA SER A 42 9.958 -4.691 2.863 1.00 0.00 C ATOM 600 C SER A 42 10.723 -3.596 2.119 1.00 0.00 C ATOM 601 O SER A 42 10.517 -2.409 2.370 1.00 0.00 O ATOM 602 CB SER A 42 10.865 -5.364 3.896 1.00 0.00 C ATOM 603 OG SER A 42 11.453 -6.560 3.392 1.00 0.00 O ATOM 0 H SER A 42 9.609 -6.635 2.163 1.00 0.00 H new ATOM 0 HA SER A 42 9.118 -4.242 3.394 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.652 -4.671 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.287 -5.594 4.791 1.00 0.00 H new ATOM 0 HG SER A 42 11.960 -6.357 2.578 1.00 0.00 H new ATOM 609 N ARG A 43 11.591 -4.032 1.218 1.00 0.00 N ATOM 610 CA ARG A 43 12.389 -3.103 0.435 1.00 0.00 C ATOM 611 C ARG A 43 11.506 -1.984 -0.121 1.00 0.00 C ATOM 612 O ARG A 43 11.909 -0.822 -0.141 1.00 0.00 O ATOM 613 CB ARG A 43 13.086 -3.817 -0.724 1.00 0.00 C ATOM 614 CG ARG A 43 14.579 -3.994 -0.441 1.00 0.00 C ATOM 615 CD ARG A 43 15.397 -3.900 -1.731 1.00 0.00 C ATOM 616 NE ARG A 43 16.830 -4.130 -1.439 1.00 0.00 N ATOM 617 CZ ARG A 43 17.802 -4.075 -2.360 1.00 0.00 C ATOM 618 NH1 ARG A 43 17.501 -3.797 -3.636 1.00 0.00 N ATOM 619 NH2 ARG A 43 19.074 -4.298 -2.005 1.00 0.00 N ATOM 0 H ARG A 43 11.759 -5.017 1.012 1.00 0.00 H new ATOM 0 HA ARG A 43 13.147 -2.679 1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.625 -4.791 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.952 -3.245 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.913 -3.230 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.751 -4.960 0.033 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.041 -4.637 -2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.263 -2.919 -2.186 1.00 0.00 H new ATOM 0 HE ARG A 43 17.094 -4.344 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.532 -3.627 -3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 43 18.241 -3.755 -4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.303 -4.510 -1.034 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.814 -4.256 -2.706 1.00 0.00 H new ATOM 633 N ARG A 44 10.318 -2.374 -0.559 1.00 0.00 N ATOM 634 CA ARG A 44 9.374 -1.418 -1.114 1.00 0.00 C ATOM 635 C ARG A 44 8.831 -0.507 -0.012 1.00 0.00 C ATOM 636 O ARG A 44 8.842 0.715 -0.149 1.00 0.00 O ATOM 637 CB ARG A 44 8.207 -2.131 -1.799 1.00 0.00 C ATOM 638 CG ARG A 44 8.711 -3.184 -2.788 1.00 0.00 C ATOM 639 CD ARG A 44 9.465 -2.531 -3.948 1.00 0.00 C ATOM 640 NE ARG A 44 10.724 -3.263 -4.210 1.00 0.00 N ATOM 641 CZ ARG A 44 11.628 -2.898 -5.129 1.00 0.00 C ATOM 642 NH1 ARG A 44 11.418 -1.808 -5.879 1.00 0.00 N ATOM 643 NH2 ARG A 44 12.742 -3.623 -5.298 1.00 0.00 N ATOM 0 H ARG A 44 9.987 -3.339 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 44 9.905 -0.820 -1.855 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.575 -2.605 -1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.588 -1.402 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.366 -3.887 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.869 -3.758 -3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.842 -2.530 -4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.683 -1.490 -3.711 1.00 0.00 H new ATOM 0 HE ARG A 44 10.916 -4.098 -3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.570 -1.256 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.106 -1.530 -6.579 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.902 -4.453 -4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.430 -3.345 -5.998 1.00 0.00 H new ATOM 657 N LEU A 45 8.368 -1.137 1.058 1.00 0.00 N ATOM 658 CA LEU A 45 7.822 -0.399 2.184 1.00 0.00 C ATOM 659 C LEU A 45 8.795 0.714 2.579 1.00 0.00 C ATOM 660 O LEU A 45 8.411 1.880 2.658 1.00 0.00 O ATOM 661 CB LEU A 45 7.476 -1.350 3.331 1.00 0.00 C ATOM 662 CG LEU A 45 6.609 -2.556 2.965 1.00 0.00 C ATOM 663 CD1 LEU A 45 6.026 -3.214 4.217 1.00 0.00 C ATOM 664 CD2 LEU A 45 5.521 -2.166 1.963 1.00 0.00 C ATOM 0 H LEU A 45 8.360 -2.151 1.169 1.00 0.00 H new ATOM 0 HA LEU A 45 6.884 0.081 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.406 -1.715 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.963 -0.781 4.106 1.00 0.00 H new ATOM 0 HG LEU A 45 7.244 -3.297 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.414 -4.068 3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.837 -3.551 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.411 -2.492 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.919 -3.042 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.883 -1.397 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.984 -1.781 1.055 1.00 0.00 H new ATOM 676 N ALA A 46 10.035 0.314 2.818 1.00 0.00 N ATOM 677 CA ALA A 46 11.066 1.263 3.203 1.00 0.00 C ATOM 678 C ALA A 46 10.937 2.525 2.347 1.00 0.00 C ATOM 679 O ALA A 46 10.984 3.639 2.867 1.00 0.00 O ATOM 680 CB ALA A 46 12.441 0.605 3.070 1.00 0.00 C ATOM 0 H ALA A 46 10.349 -0.654 2.753 1.00 0.00 H new ATOM 0 HA ALA A 46 10.946 1.559 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.214 1.317 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.491 -0.269 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.599 0.297 2.036 1.00 0.00 H new ATOM 686 N LEU A 47 10.778 2.307 1.050 1.00 0.00 N ATOM 687 CA LEU A 47 10.642 3.413 0.117 1.00 0.00 C ATOM 688 C LEU A 47 9.294 4.101 0.341 1.00 0.00 C ATOM 689 O LEU A 47 9.241 5.306 0.584 1.00 0.00 O ATOM 690 CB LEU A 47 10.855 2.932 -1.319 1.00 0.00 C ATOM 691 CG LEU A 47 11.205 4.013 -2.344 1.00 0.00 C ATOM 692 CD1 LEU A 47 11.454 3.400 -3.724 1.00 0.00 C ATOM 693 CD2 LEU A 47 10.128 5.099 -2.384 1.00 0.00 C ATOM 0 H LEU A 47 10.740 1.381 0.623 1.00 0.00 H new ATOM 0 HA LEU A 47 11.415 4.160 0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.652 2.189 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.948 2.426 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 47 12.133 4.492 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 47 11.701 4.190 -4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 47 12.282 2.694 -3.664 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.557 2.879 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 47 10.401 5.855 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.172 4.653 -2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.043 5.563 -1.402 1.00 0.00 H new ATOM 705 N LEU A 48 8.238 3.306 0.252 1.00 0.00 N ATOM 706 CA LEU A 48 6.893 3.824 0.442 1.00 0.00 C ATOM 707 C LEU A 48 6.896 4.826 1.598 1.00 0.00 C ATOM 708 O LEU A 48 6.426 5.953 1.448 1.00 0.00 O ATOM 709 CB LEU A 48 5.898 2.676 0.626 1.00 0.00 C ATOM 710 CG LEU A 48 4.599 3.025 1.355 1.00 0.00 C ATOM 711 CD1 LEU A 48 3.947 4.269 0.748 1.00 0.00 C ATOM 712 CD2 LEU A 48 3.644 1.830 1.376 1.00 0.00 C ATOM 0 H LEU A 48 8.286 2.307 0.051 1.00 0.00 H new ATOM 0 HA LEU A 48 6.563 4.362 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.644 2.280 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.395 1.875 1.174 1.00 0.00 H new ATOM 0 HG LEU A 48 4.842 3.261 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.026 4.495 1.284 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.631 5.114 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.720 4.085 -0.302 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.729 2.105 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.403 1.539 0.354 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.119 0.994 1.889 1.00 0.00 H new ATOM 724 N ARG A 49 7.430 4.380 2.725 1.00 0.00 N ATOM 725 CA ARG A 49 7.500 5.224 3.906 1.00 0.00 C ATOM 726 C ARG A 49 8.362 6.456 3.627 1.00 0.00 C ATOM 727 O ARG A 49 7.866 7.582 3.641 1.00 0.00 O ATOM 728 CB ARG A 49 8.085 4.459 5.095 1.00 0.00 C ATOM 729 CG ARG A 49 8.162 5.352 6.336 1.00 0.00 C ATOM 730 CD ARG A 49 9.376 4.992 7.195 1.00 0.00 C ATOM 731 NE ARG A 49 9.756 6.146 8.041 1.00 0.00 N ATOM 732 CZ ARG A 49 10.982 6.331 8.551 1.00 0.00 C ATOM 733 NH1 ARG A 49 11.952 5.441 8.304 1.00 0.00 N ATOM 734 NH2 ARG A 49 11.236 7.407 9.307 1.00 0.00 N ATOM 0 H ARG A 49 7.819 3.445 2.846 1.00 0.00 H new ATOM 0 HA ARG A 49 6.485 5.535 4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.469 3.585 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.080 4.094 4.843 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.223 6.397 6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.251 5.243 6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.146 4.131 7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.212 4.707 6.557 1.00 0.00 H new ATOM 0 HE ARG A 49 9.041 6.843 8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.758 4.622 7.728 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.885 5.582 8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.497 8.085 9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.168 7.549 9.696 1.00 0.00 H new ATOM 748 N GLU A 50 9.639 6.202 3.380 1.00 0.00 N ATOM 749 CA GLU A 50 10.575 7.277 3.098 1.00 0.00 C ATOM 750 C GLU A 50 9.925 8.323 2.190 1.00 0.00 C ATOM 751 O GLU A 50 9.958 9.516 2.487 1.00 0.00 O ATOM 752 CB GLU A 50 11.863 6.734 2.475 1.00 0.00 C ATOM 753 CG GLU A 50 12.752 6.082 3.536 1.00 0.00 C ATOM 754 CD GLU A 50 14.214 6.059 3.087 1.00 0.00 C ATOM 755 OE1 GLU A 50 14.824 7.151 3.085 1.00 0.00 O ATOM 756 OE2 GLU A 50 14.690 4.952 2.756 1.00 0.00 O ATOM 0 H GLU A 50 10.047 5.267 3.369 1.00 0.00 H new ATOM 0 HA GLU A 50 10.841 7.757 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.618 6.005 1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.406 7.544 1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.665 6.629 4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.410 5.065 3.727 1.00 0.00 H new ATOM 763 N GLN A 51 9.350 7.837 1.100 1.00 0.00 N ATOM 764 CA GLN A 51 8.693 8.714 0.145 1.00 0.00 C ATOM 765 C GLN A 51 7.520 9.438 0.810 1.00 0.00 C ATOM 766 O GLN A 51 7.305 10.626 0.574 1.00 0.00 O ATOM 767 CB GLN A 51 8.229 7.935 -1.087 1.00 0.00 C ATOM 768 CG GLN A 51 9.058 8.311 -2.317 1.00 0.00 C ATOM 769 CD GLN A 51 8.167 8.469 -3.551 1.00 0.00 C ATOM 770 OE1 GLN A 51 7.349 9.369 -3.646 1.00 0.00 O ATOM 771 NE2 GLN A 51 8.370 7.547 -4.487 1.00 0.00 N ATOM 0 H GLN A 51 9.325 6.847 0.857 1.00 0.00 H new ATOM 0 HA GLN A 51 9.414 9.460 -0.189 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.315 6.865 -0.899 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.176 8.141 -1.277 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.593 9.242 -2.129 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.809 7.543 -2.502 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.071 6.820 -4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.824 7.566 -5.349 1.00 0.00 H new ATOM 780 N TRP A 52 6.792 8.691 1.628 1.00 0.00 N ATOM 781 CA TRP A 52 5.647 9.247 2.328 1.00 0.00 C ATOM 782 C TRP A 52 6.152 10.346 3.264 1.00 0.00 C ATOM 783 O TRP A 52 5.785 11.510 3.116 1.00 0.00 O ATOM 784 CB TRP A 52 4.866 8.152 3.057 1.00 0.00 C ATOM 785 CG TRP A 52 3.553 8.632 3.679 1.00 0.00 C ATOM 786 CD1 TRP A 52 3.353 9.704 4.458 1.00 0.00 C ATOM 787 CD2 TRP A 52 2.258 8.010 3.542 1.00 0.00 C ATOM 788 NE1 TRP A 52 2.029 9.818 4.831 1.00 0.00 N ATOM 789 CE2 TRP A 52 1.342 8.755 4.256 1.00 0.00 C ATOM 790 CE3 TRP A 52 1.874 6.856 2.837 1.00 0.00 C ATOM 791 CZ2 TRP A 52 -0.017 8.428 4.335 1.00 0.00 C ATOM 792 CZ3 TRP A 52 0.512 6.543 2.926 1.00 0.00 C ATOM 793 CH2 TRP A 52 -0.423 7.282 3.641 1.00 0.00 C ATOM 0 H TRP A 52 6.973 7.706 1.821 1.00 0.00 H new ATOM 0 HA TRP A 52 4.941 9.688 1.624 1.00 0.00 H new ATOM 0 HB2 TRP A 52 4.650 7.346 2.356 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.496 7.732 3.842 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.130 10.392 4.756 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.628 10.548 5.420 1.00 0.00 H new ATOM 0 HE3 TRP A 52 2.574 6.258 2.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.715 9.028 4.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 0.164 5.665 2.402 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.458 6.974 3.661 1.00 0.00 H new ATOM 804 N ALA A 53 6.987 9.936 4.208 1.00 0.00 N ATOM 805 CA ALA A 53 7.547 10.872 5.169 1.00 0.00 C ATOM 806 C ALA A 53 8.229 12.018 4.420 1.00 0.00 C ATOM 807 O ALA A 53 7.855 13.179 4.581 1.00 0.00 O ATOM 808 CB ALA A 53 8.508 10.132 6.102 1.00 0.00 C ATOM 0 H ALA A 53 7.289 8.969 4.328 1.00 0.00 H new ATOM 0 HA ALA A 53 6.760 11.304 5.787 1.00 0.00 H new ATOM 0 HB1 ALA A 53 8.928 10.834 6.823 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.968 9.347 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 53 9.313 9.687 5.517 1.00 0.00 H new ATOM 814 N GLY A 54 9.218 11.653 3.618 1.00 0.00 N ATOM 815 CA GLY A 54 9.956 12.637 2.844 1.00 0.00 C ATOM 816 C GLY A 54 9.027 13.741 2.333 1.00 0.00 C ATOM 817 O GLY A 54 9.418 14.906 2.270 1.00 0.00 O ATOM 0 H GLY A 54 9.526 10.689 3.487 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.742 13.074 3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.445 12.149 2.001 1.00 0.00 H new ATOM 821 N GLY A 55 7.816 13.335 1.981 1.00 0.00 N ATOM 822 CA GLY A 55 6.829 14.275 1.477 1.00 0.00 C ATOM 823 C GLY A 55 6.797 14.270 -0.052 1.00 0.00 C ATOM 824 O GLY A 55 6.420 15.263 -0.673 1.00 0.00 O ATOM 0 H GLY A 55 7.496 12.368 2.035 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.844 14.017 1.866 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.060 15.278 1.836 1.00 0.00 H new ATOM 828 N LYS A 56 7.197 13.140 -0.617 1.00 0.00 N ATOM 829 CA LYS A 56 7.219 12.992 -2.062 1.00 0.00 C ATOM 830 C LYS A 56 5.835 12.556 -2.546 1.00 0.00 C ATOM 831 O LYS A 56 5.417 12.913 -3.647 1.00 0.00 O ATOM 832 CB LYS A 56 8.345 12.047 -2.487 1.00 0.00 C ATOM 833 CG LYS A 56 9.618 12.826 -2.822 1.00 0.00 C ATOM 834 CD LYS A 56 9.855 12.865 -4.333 1.00 0.00 C ATOM 835 CE LYS A 56 11.244 13.420 -4.656 1.00 0.00 C ATOM 836 NZ LYS A 56 11.224 14.147 -5.945 1.00 0.00 N ATOM 0 H LYS A 56 7.509 12.318 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 56 7.439 13.947 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.550 11.336 -1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.030 11.468 -3.355 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.539 13.842 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.472 12.363 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.755 11.861 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.093 13.483 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.569 14.089 -3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.966 12.605 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.174 14.517 -6.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.934 13.499 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.550 14.937 -5.888 1.00 0.00 H new ATOM 850 N LEU A 57 5.161 11.790 -1.701 1.00 0.00 N ATOM 851 CA LEU A 57 3.832 11.302 -2.029 1.00 0.00 C ATOM 852 C LEU A 57 2.841 12.467 -1.989 1.00 0.00 C ATOM 853 O LEU A 57 2.954 13.354 -1.145 1.00 0.00 O ATOM 854 CB LEU A 57 3.448 10.137 -1.114 1.00 0.00 C ATOM 855 CG LEU A 57 4.453 8.985 -1.037 1.00 0.00 C ATOM 856 CD1 LEU A 57 4.032 7.961 0.018 1.00 0.00 C ATOM 857 CD2 LEU A 57 4.656 8.343 -2.411 1.00 0.00 C ATOM 0 H LEU A 57 5.510 11.495 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 57 3.813 10.901 -3.043 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.294 10.527 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.492 9.737 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 57 5.416 9.390 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.763 7.153 0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.979 8.444 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.054 7.555 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.374 7.527 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.705 7.954 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.033 9.090 -3.109 1.00 0.00 H new ATOM 869 N SER A 58 1.893 12.427 -2.914 1.00 0.00 N ATOM 870 CA SER A 58 0.883 13.468 -2.996 1.00 0.00 C ATOM 871 C SER A 58 -0.171 13.262 -1.906 1.00 0.00 C ATOM 872 O SER A 58 -0.319 12.159 -1.382 1.00 0.00 O ATOM 873 CB SER A 58 0.223 13.489 -4.376 1.00 0.00 C ATOM 874 OG SER A 58 -0.194 14.799 -4.749 1.00 0.00 O ATOM 0 H SER A 58 1.803 11.690 -3.613 1.00 0.00 H new ATOM 0 HA SER A 58 1.371 14.430 -2.843 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.923 13.106 -5.118 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.638 12.821 -4.376 1.00 0.00 H new ATOM 0 HG SER A 58 -0.609 14.770 -5.636 1.00 0.00 H new ATOM 880 N ILE A 59 -0.877 14.340 -1.598 1.00 0.00 N ATOM 881 CA ILE A 59 -1.913 14.290 -0.580 1.00 0.00 C ATOM 882 C ILE A 59 -2.979 13.274 -0.993 1.00 0.00 C ATOM 883 O ILE A 59 -3.407 12.454 -0.183 1.00 0.00 O ATOM 884 CB ILE A 59 -2.469 15.691 -0.314 1.00 0.00 C ATOM 885 CG1 ILE A 59 -1.363 16.640 0.152 1.00 0.00 C ATOM 886 CG2 ILE A 59 -3.634 15.638 0.677 1.00 0.00 C ATOM 887 CD1 ILE A 59 -1.325 17.902 -0.713 1.00 0.00 C ATOM 0 H ILE A 59 -0.752 15.253 -2.035 1.00 0.00 H new ATOM 0 HA ILE A 59 -1.499 13.950 0.369 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.860 16.088 -1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.528 16.914 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.399 16.133 0.105 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.011 16.646 0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.431 15.017 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.290 15.213 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.531 18.560 -0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.135 17.626 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.282 18.419 -0.644 1.00 0.00 H new ATOM 899 N PRO A 60 -3.388 13.363 -2.287 1.00 0.00 N ATOM 900 CA PRO A 60 -4.396 12.461 -2.818 1.00 0.00 C ATOM 901 C PRO A 60 -3.811 11.068 -3.062 1.00 0.00 C ATOM 902 O PRO A 60 -4.538 10.137 -3.406 1.00 0.00 O ATOM 903 CB PRO A 60 -4.891 13.129 -4.090 1.00 0.00 C ATOM 904 CG PRO A 60 -3.824 14.142 -4.472 1.00 0.00 C ATOM 905 CD PRO A 60 -2.903 14.322 -3.276 1.00 0.00 C ATOM 0 HA PRO A 60 -5.221 12.296 -2.124 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.036 12.397 -4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.852 13.617 -3.926 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.261 13.795 -5.339 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.281 15.092 -4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.865 14.125 -3.543 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.946 15.342 -2.893 1.00 0.00 H new ATOM 913 N VAL A 61 -2.503 10.970 -2.876 1.00 0.00 N ATOM 914 CA VAL A 61 -1.812 9.707 -3.072 1.00 0.00 C ATOM 915 C VAL A 61 -1.807 8.923 -1.758 1.00 0.00 C ATOM 916 O VAL A 61 -1.640 7.705 -1.758 1.00 0.00 O ATOM 917 CB VAL A 61 -0.407 9.958 -3.623 1.00 0.00 C ATOM 918 CG1 VAL A 61 0.508 8.760 -3.362 1.00 0.00 C ATOM 919 CG2 VAL A 61 -0.455 10.296 -5.115 1.00 0.00 C ATOM 0 H VAL A 61 -1.903 11.745 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.333 9.099 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 61 0.009 10.818 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.500 8.966 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.581 8.585 -2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.096 7.875 -3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.557 10.470 -5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.901 9.466 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.055 11.194 -5.266 1.00 0.00 H new ATOM 929 N LYS A 62 -1.992 9.656 -0.669 1.00 0.00 N ATOM 930 CA LYS A 62 -2.010 9.045 0.649 1.00 0.00 C ATOM 931 C LYS A 62 -3.449 8.670 1.012 1.00 0.00 C ATOM 932 O LYS A 62 -3.699 7.584 1.533 1.00 0.00 O ATOM 933 CB LYS A 62 -1.336 9.960 1.673 1.00 0.00 C ATOM 934 CG LYS A 62 -0.530 11.060 0.979 1.00 0.00 C ATOM 935 CD LYS A 62 0.432 11.735 1.958 1.00 0.00 C ATOM 936 CE LYS A 62 1.467 12.582 1.214 1.00 0.00 C ATOM 937 NZ LYS A 62 1.063 14.006 1.207 1.00 0.00 N ATOM 0 H LYS A 62 -2.131 10.667 -0.673 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.429 8.123 0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.092 10.409 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.679 9.372 2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.031 10.635 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.208 11.803 0.559 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.129 12.364 2.649 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.939 10.978 2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.442 12.477 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.572 12.223 0.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.000 14.344 0.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.136 14.106 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.769 14.570 1.723 1.00 0.00 H new ATOM 951 N LYS A 63 -4.357 9.591 0.723 1.00 0.00 N ATOM 952 CA LYS A 63 -5.764 9.370 1.013 1.00 0.00 C ATOM 953 C LYS A 63 -6.218 8.066 0.355 1.00 0.00 C ATOM 954 O LYS A 63 -7.038 7.338 0.912 1.00 0.00 O ATOM 955 CB LYS A 63 -6.593 10.588 0.600 1.00 0.00 C ATOM 956 CG LYS A 63 -6.953 11.445 1.816 1.00 0.00 C ATOM 957 CD LYS A 63 -7.336 12.864 1.393 1.00 0.00 C ATOM 958 CE LYS A 63 -6.295 13.452 0.439 1.00 0.00 C ATOM 959 NZ LYS A 63 -6.345 14.931 0.464 1.00 0.00 N ATOM 0 H LYS A 63 -4.146 10.491 0.292 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.918 9.256 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.033 11.187 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.504 10.260 0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.782 10.987 2.356 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.107 11.482 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.312 12.852 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.426 13.498 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.299 13.111 0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.478 13.093 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.771 15.311 -0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.330 15.247 0.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.969 15.276 1.370 1.00 0.00 H new ATOM 973 N ARG A 64 -5.664 7.810 -0.822 1.00 0.00 N ATOM 974 CA ARG A 64 -6.002 6.606 -1.562 1.00 0.00 C ATOM 975 C ARG A 64 -5.322 5.389 -0.933 1.00 0.00 C ATOM 976 O ARG A 64 -5.890 4.298 -0.911 1.00 0.00 O ATOM 977 CB ARG A 64 -5.574 6.722 -3.026 1.00 0.00 C ATOM 978 CG ARG A 64 -6.785 6.644 -3.959 1.00 0.00 C ATOM 979 CD ARG A 64 -6.542 7.445 -5.240 1.00 0.00 C ATOM 980 NE ARG A 64 -7.806 7.586 -5.996 1.00 0.00 N ATOM 981 CZ ARG A 64 -8.754 8.490 -5.714 1.00 0.00 C ATOM 982 NH1 ARG A 64 -8.586 9.339 -4.691 1.00 0.00 N ATOM 983 NH2 ARG A 64 -9.870 8.545 -6.454 1.00 0.00 N ATOM 0 H ARG A 64 -4.984 8.416 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.084 6.483 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -5.050 7.665 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.872 5.924 -3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.989 5.603 -4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -7.668 7.028 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.144 8.429 -4.993 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -5.794 6.944 -5.855 1.00 0.00 H new ATOM 0 HE ARG A 64 -7.966 6.955 -6.781 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.737 9.297 -4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.307 10.027 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.998 7.898 -7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.591 9.233 -6.239 1.00 0.00 H new ATOM 997 N MET A 65 -4.114 5.616 -0.437 1.00 0.00 N ATOM 998 CA MET A 65 -3.351 4.551 0.190 1.00 0.00 C ATOM 999 C MET A 65 -4.069 4.019 1.432 1.00 0.00 C ATOM 1000 O MET A 65 -4.321 2.820 1.542 1.00 0.00 O ATOM 1001 CB MET A 65 -1.969 5.077 0.585 1.00 0.00 C ATOM 1002 CG MET A 65 -0.872 4.424 -0.259 1.00 0.00 C ATOM 1003 SD MET A 65 0.308 3.607 0.801 1.00 0.00 S ATOM 1004 CE MET A 65 -0.536 2.057 1.068 1.00 0.00 C ATOM 0 H MET A 65 -3.645 6.522 -0.457 1.00 0.00 H new ATOM 0 HA MET A 65 -3.248 3.734 -0.525 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.937 6.159 0.455 1.00 0.00 H new ATOM 0 HB3 MET A 65 -1.788 4.877 1.641 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.312 3.705 -0.949 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.369 5.179 -0.863 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.724 1.924 2.133 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.484 2.061 0.530 1.00 0.00 H new ATOM 0 HE3 MET A 65 0.084 1.238 0.704 1.00 0.00 H new ATOM 1014 N ALA A 66 -4.377 4.937 2.336 1.00 0.00 N ATOM 1015 CA ALA A 66 -5.061 4.576 3.566 1.00 0.00 C ATOM 1016 C ALA A 66 -6.305 3.750 3.229 1.00 0.00 C ATOM 1017 O ALA A 66 -6.639 2.806 3.943 1.00 0.00 O ATOM 1018 CB ALA A 66 -5.399 5.844 4.354 1.00 0.00 C ATOM 0 H ALA A 66 -4.165 5.930 2.241 1.00 0.00 H new ATOM 0 HA ALA A 66 -4.418 3.962 4.197 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.912 5.573 5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.480 6.379 4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.046 6.484 3.754 1.00 0.00 H new ATOM 1024 N LEU A 67 -6.956 4.137 2.142 1.00 0.00 N ATOM 1025 CA LEU A 67 -8.155 3.444 1.702 1.00 0.00 C ATOM 1026 C LEU A 67 -7.825 1.971 1.453 1.00 0.00 C ATOM 1027 O LEU A 67 -8.305 1.094 2.169 1.00 0.00 O ATOM 1028 CB LEU A 67 -8.769 4.151 0.492 1.00 0.00 C ATOM 1029 CG LEU A 67 -9.527 5.446 0.785 1.00 0.00 C ATOM 1030 CD1 LEU A 67 -9.990 6.116 -0.510 1.00 0.00 C ATOM 1031 CD2 LEU A 67 -10.690 5.195 1.747 1.00 0.00 C ATOM 0 H LEU A 67 -6.676 4.921 1.553 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.919 3.472 2.479 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.972 4.373 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.451 3.458 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.844 6.137 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.526 7.035 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.123 6.351 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.651 5.440 -1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.212 6.132 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.381 4.479 1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.306 4.795 2.686 1.00 0.00 H new ATOM 1043 N LEU A 68 -7.009 1.745 0.434 1.00 0.00 N ATOM 1044 CA LEU A 68 -6.609 0.393 0.081 1.00 0.00 C ATOM 1045 C LEU A 68 -6.295 -0.391 1.356 1.00 0.00 C ATOM 1046 O LEU A 68 -6.681 -1.551 1.487 1.00 0.00 O ATOM 1047 CB LEU A 68 -5.455 0.421 -0.924 1.00 0.00 C ATOM 1048 CG LEU A 68 -4.777 -0.922 -1.203 1.00 0.00 C ATOM 1049 CD1 LEU A 68 -4.267 -0.989 -2.644 1.00 0.00 C ATOM 1050 CD2 LEU A 68 -3.666 -1.196 -0.188 1.00 0.00 C ATOM 0 H LEU A 68 -6.614 2.475 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.425 -0.127 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.830 0.819 -1.867 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.700 1.118 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.520 -1.711 -1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.789 -1.953 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.104 -0.870 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.544 -0.191 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.200 -2.156 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.916 -0.407 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.089 -1.220 0.816 1.00 0.00 H new ATOM 1062 N VAL A 69 -5.598 0.274 2.265 1.00 0.00 N ATOM 1063 CA VAL A 69 -5.227 -0.346 3.526 1.00 0.00 C ATOM 1064 C VAL A 69 -6.495 -0.712 4.301 1.00 0.00 C ATOM 1065 O VAL A 69 -6.649 -1.849 4.745 1.00 0.00 O ATOM 1066 CB VAL A 69 -4.294 0.579 4.310 1.00 0.00 C ATOM 1067 CG1 VAL A 69 -4.068 0.054 5.729 1.00 0.00 C ATOM 1068 CG2 VAL A 69 -2.964 0.766 3.576 1.00 0.00 C ATOM 0 H VAL A 69 -5.280 1.237 2.154 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.675 -1.269 3.350 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.775 1.554 4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.401 0.730 6.265 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.023 -0.004 6.252 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.619 -0.938 5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.319 1.428 4.154 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.476 -0.201 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.148 1.205 2.595 1.00 0.00 H new ATOM 1078 N GLN A 70 -7.370 0.273 4.440 1.00 0.00 N ATOM 1079 CA GLN A 70 -8.619 0.069 5.154 1.00 0.00 C ATOM 1080 C GLN A 70 -9.316 -1.197 4.652 1.00 0.00 C ATOM 1081 O GLN A 70 -10.024 -1.862 5.408 1.00 0.00 O ATOM 1082 CB GLN A 70 -9.534 1.288 5.019 1.00 0.00 C ATOM 1083 CG GLN A 70 -9.059 2.431 5.919 1.00 0.00 C ATOM 1084 CD GLN A 70 -9.043 2.002 7.387 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -9.788 1.137 7.817 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -8.153 2.653 8.131 1.00 0.00 N ATOM 0 H GLN A 70 -7.239 1.215 4.070 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.393 -0.059 6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.552 1.621 3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.555 1.012 5.283 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.060 2.745 5.617 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.715 3.293 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.559 3.367 7.708 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -8.064 2.439 9.124 1.00 0.00 H new ATOM 1095 N GLU A 71 -9.092 -1.493 3.380 1.00 0.00 N ATOM 1096 CA GLU A 71 -9.690 -2.668 2.769 1.00 0.00 C ATOM 1097 C GLU A 71 -8.923 -3.928 3.178 1.00 0.00 C ATOM 1098 O GLU A 71 -9.527 -4.960 3.466 1.00 0.00 O ATOM 1099 CB GLU A 71 -9.741 -2.528 1.246 1.00 0.00 C ATOM 1100 CG GLU A 71 -10.279 -1.154 0.840 1.00 0.00 C ATOM 1101 CD GLU A 71 -11.738 -1.247 0.391 1.00 0.00 C ATOM 1102 OE1 GLU A 71 -12.427 -2.164 0.889 1.00 0.00 O ATOM 1103 OE2 GLU A 71 -12.132 -0.400 -0.438 1.00 0.00 O ATOM 0 H GLU A 71 -8.505 -0.940 2.756 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.715 -2.758 3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.743 -2.669 0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.375 -3.309 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.197 -0.465 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.672 -0.746 0.032 1.00 0.00 H new ATOM 1110 N LEU A 72 -7.604 -3.801 3.190 1.00 0.00 N ATOM 1111 CA LEU A 72 -6.749 -4.917 3.559 1.00 0.00 C ATOM 1112 C LEU A 72 -7.030 -5.311 5.010 1.00 0.00 C ATOM 1113 O LEU A 72 -6.737 -6.433 5.420 1.00 0.00 O ATOM 1114 CB LEU A 72 -5.282 -4.580 3.286 1.00 0.00 C ATOM 1115 CG LEU A 72 -4.341 -5.774 3.111 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -3.441 -5.588 1.888 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -3.532 -6.025 4.385 1.00 0.00 C ATOM 0 H LEU A 72 -7.107 -2.943 2.950 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.972 -5.788 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.232 -3.968 2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.911 -3.968 4.108 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.946 -6.663 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.782 -6.450 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.057 -5.495 0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.842 -4.686 2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.871 -6.879 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.937 -5.142 4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.211 -6.233 5.212 1.00 0.00 H new ATOM 1129 N LEU A 73 -7.594 -4.366 5.748 1.00 0.00 N ATOM 1130 CA LEU A 73 -7.918 -4.600 7.145 1.00 0.00 C ATOM 1131 C LEU A 73 -9.216 -5.404 7.235 1.00 0.00 C ATOM 1132 O LEU A 73 -9.358 -6.266 8.101 1.00 0.00 O ATOM 1133 CB LEU A 73 -7.957 -3.279 7.915 1.00 0.00 C ATOM 1134 CG LEU A 73 -6.635 -2.513 8.002 1.00 0.00 C ATOM 1135 CD1 LEU A 73 -6.824 -1.172 8.714 1.00 0.00 C ATOM 1136 CD2 LEU A 73 -5.551 -3.366 8.663 1.00 0.00 C ATOM 0 H LEU A 73 -7.835 -3.436 5.404 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.140 -5.196 7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.699 -2.631 7.448 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.303 -3.482 8.928 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.299 -2.294 6.988 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.869 -0.648 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.543 -0.566 8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.194 -1.346 9.724 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.622 -2.799 8.713 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.865 -3.637 9.671 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.393 -4.271 8.077 1.00 0.00 H new ATOM 1148 N HIS A 74 -10.132 -5.092 6.329 1.00 0.00 N ATOM 1149 CA HIS A 74 -11.414 -5.775 6.296 1.00 0.00 C ATOM 1150 C HIS A 74 -11.299 -7.042 5.446 1.00 0.00 C ATOM 1151 O HIS A 74 -12.260 -7.800 5.322 1.00 0.00 O ATOM 1152 CB HIS A 74 -12.518 -4.833 5.810 1.00 0.00 C ATOM 1153 CG HIS A 74 -13.145 -4.005 6.906 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -14.126 -3.059 6.663 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -12.923 -3.992 8.252 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -14.469 -2.507 7.817 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -13.723 -3.086 8.801 1.00 0.00 N ATOM 0 H HIS A 74 -10.011 -4.376 5.613 1.00 0.00 H new ATOM 0 HA HIS A 74 -11.694 -6.080 7.304 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -12.105 -4.164 5.055 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -13.296 -5.422 5.323 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -12.216 -4.614 8.781 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -15.210 -1.733 7.955 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -13.772 -2.860 9.795 1.00 0.00 H new ATOM 1165 N HIS A 75 -10.115 -7.233 4.883 1.00 0.00 N ATOM 1166 CA HIS A 75 -9.862 -8.395 4.048 1.00 0.00 C ATOM 1167 C HIS A 75 -10.434 -8.157 2.649 1.00 0.00 C ATOM 1168 O HIS A 75 -10.519 -9.082 1.844 1.00 0.00 O ATOM 1169 CB HIS A 75 -10.409 -9.664 4.704 1.00 0.00 C ATOM 1170 CG HIS A 75 -10.184 -9.731 6.196 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -11.157 -10.157 7.083 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -9.088 -9.422 6.946 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -10.658 -10.102 8.309 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -9.376 -9.646 8.222 1.00 0.00 N ATOM 0 H HIS A 75 -9.320 -6.603 4.989 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.787 -8.544 3.942 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -11.479 -9.731 4.505 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -9.943 -10.532 4.237 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -8.145 -9.057 6.566 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -11.176 -10.371 9.218 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.743 -9.501 9.008 1.00 0.00 H new ATOM 1182 N GLN A 76 -10.811 -6.911 2.404 1.00 0.00 N ATOM 1183 CA GLN A 76 -11.373 -6.539 1.116 1.00 0.00 C ATOM 1184 C GLN A 76 -10.258 -6.347 0.086 1.00 0.00 C ATOM 1185 O GLN A 76 -10.191 -5.312 -0.576 1.00 0.00 O ATOM 1186 CB GLN A 76 -12.232 -5.278 1.236 1.00 0.00 C ATOM 1187 CG GLN A 76 -13.531 -5.570 1.989 1.00 0.00 C ATOM 1188 CD GLN A 76 -14.640 -5.997 1.025 1.00 0.00 C ATOM 1189 OE1 GLN A 76 -14.400 -6.367 -0.113 1.00 0.00 O ATOM 1190 NE2 GLN A 76 -15.863 -5.927 1.542 1.00 0.00 N ATOM 0 H GLN A 76 -10.739 -6.146 3.075 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.019 -7.348 0.776 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.673 -4.501 1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.462 -4.894 0.242 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -13.360 -6.357 2.724 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.844 -4.682 2.539 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.993 -5.608 2.502 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.671 -6.192 0.978 1.00 0.00 H new ATOM 1199 N TRP A 77 -9.410 -7.360 -0.017 1.00 0.00 N ATOM 1200 CA TRP A 77 -8.301 -7.316 -0.955 1.00 0.00 C ATOM 1201 C TRP A 77 -8.825 -6.758 -2.280 1.00 0.00 C ATOM 1202 O TRP A 77 -8.292 -5.779 -2.799 1.00 0.00 O ATOM 1203 CB TRP A 77 -7.651 -8.693 -1.101 1.00 0.00 C ATOM 1204 CG TRP A 77 -7.937 -9.643 0.064 1.00 0.00 C ATOM 1205 CD1 TRP A 77 -8.840 -10.632 0.119 1.00 0.00 C ATOM 1206 CD2 TRP A 77 -7.277 -9.654 1.347 1.00 0.00 C ATOM 1207 NE1 TRP A 77 -8.810 -11.277 1.339 1.00 0.00 N ATOM 1208 CE2 TRP A 77 -7.829 -10.663 2.109 1.00 0.00 C ATOM 1209 CE3 TRP A 77 -6.247 -8.838 1.847 1.00 0.00 C ATOM 1210 CZ2 TRP A 77 -7.417 -10.950 3.416 1.00 0.00 C ATOM 1211 CZ3 TRP A 77 -5.847 -9.137 3.155 1.00 0.00 C ATOM 1212 CH2 TRP A 77 -6.392 -10.150 3.935 1.00 0.00 C ATOM 0 H TRP A 77 -9.469 -8.216 0.534 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.512 -6.660 -0.589 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -8.001 -9.152 -2.025 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.573 -8.566 -1.197 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -9.507 -10.892 -0.690 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.399 -12.060 1.623 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -5.800 -8.044 1.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.866 -11.745 3.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.059 -8.538 3.588 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -6.026 -10.319 4.937 1.00 0.00 H new ATOM 1223 N ASP A 78 -9.862 -7.407 -2.789 1.00 0.00 N ATOM 1224 CA ASP A 78 -10.463 -6.988 -4.044 1.00 0.00 C ATOM 1225 C ASP A 78 -10.589 -5.463 -4.061 1.00 0.00 C ATOM 1226 O ASP A 78 -10.129 -4.809 -4.996 1.00 0.00 O ATOM 1227 CB ASP A 78 -11.865 -7.579 -4.207 1.00 0.00 C ATOM 1228 CG ASP A 78 -12.147 -8.207 -5.574 1.00 0.00 C ATOM 1229 OD1 ASP A 78 -11.416 -9.158 -5.923 1.00 0.00 O ATOM 1230 OD2 ASP A 78 -13.088 -7.721 -6.238 1.00 0.00 O ATOM 0 H ASP A 78 -10.301 -8.219 -2.356 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.826 -7.339 -4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.015 -8.337 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.598 -6.792 -4.027 1.00 0.00 H new ATOM 1235 N ALA A 79 -11.214 -4.941 -3.016 1.00 0.00 N ATOM 1236 CA ALA A 79 -11.405 -3.506 -2.899 1.00 0.00 C ATOM 1237 C ALA A 79 -10.041 -2.812 -2.901 1.00 0.00 C ATOM 1238 O ALA A 79 -9.816 -1.882 -3.674 1.00 0.00 O ATOM 1239 CB ALA A 79 -12.213 -3.199 -1.636 1.00 0.00 C ATOM 0 H ALA A 79 -11.595 -5.486 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.971 -3.124 -3.749 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.356 -2.122 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.184 -3.690 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.675 -3.566 -0.762 1.00 0.00 H new ATOM 1245 N ALA A 80 -9.168 -3.291 -2.028 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.833 -2.728 -1.920 1.00 0.00 C ATOM 1247 C ALA A 80 -7.226 -2.592 -3.318 1.00 0.00 C ATOM 1248 O ALA A 80 -6.666 -1.550 -3.657 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.982 -3.605 -0.998 1.00 0.00 C ATOM 0 H ALA A 80 -9.359 -4.063 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.872 -1.732 -1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.980 -3.183 -0.917 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.440 -3.645 -0.010 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.919 -4.612 -1.410 1.00 0.00 H new ATOM 1255 N ASP A 81 -7.359 -3.659 -4.092 1.00 0.00 N ATOM 1256 CA ASP A 81 -6.832 -3.671 -5.446 1.00 0.00 C ATOM 1257 C ASP A 81 -7.456 -2.523 -6.243 1.00 0.00 C ATOM 1258 O ASP A 81 -6.743 -1.688 -6.796 1.00 0.00 O ATOM 1259 CB ASP A 81 -7.173 -4.981 -6.158 1.00 0.00 C ATOM 1260 CG ASP A 81 -7.161 -4.909 -7.686 1.00 0.00 C ATOM 1261 OD1 ASP A 81 -8.132 -4.345 -8.236 1.00 0.00 O ATOM 1262 OD2 ASP A 81 -6.181 -5.420 -8.271 1.00 0.00 O ATOM 0 H ASP A 81 -7.824 -4.521 -3.807 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.749 -3.564 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.464 -5.745 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.161 -5.307 -5.832 1.00 0.00 H new ATOM 1267 N ASP A 82 -8.780 -2.520 -6.275 1.00 0.00 N ATOM 1268 CA ASP A 82 -9.508 -1.489 -6.995 1.00 0.00 C ATOM 1269 C ASP A 82 -8.822 -0.139 -6.776 1.00 0.00 C ATOM 1270 O ASP A 82 -8.512 0.566 -7.735 1.00 0.00 O ATOM 1271 CB ASP A 82 -10.947 -1.375 -6.488 1.00 0.00 C ATOM 1272 CG ASP A 82 -11.998 -1.135 -7.574 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -11.615 -1.211 -8.761 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -13.161 -0.880 -7.192 1.00 0.00 O ATOM 0 H ASP A 82 -9.368 -3.215 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.518 -1.758 -8.051 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -11.201 -2.290 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.999 -0.559 -5.767 1.00 0.00 H new ATOM 1279 N ILE A 83 -8.605 0.180 -5.509 1.00 0.00 N ATOM 1280 CA ILE A 83 -7.961 1.433 -5.152 1.00 0.00 C ATOM 1281 C ILE A 83 -6.575 1.491 -5.798 1.00 0.00 C ATOM 1282 O ILE A 83 -6.294 2.385 -6.594 1.00 0.00 O ATOM 1283 CB ILE A 83 -7.939 1.610 -3.633 1.00 0.00 C ATOM 1284 CG1 ILE A 83 -9.360 1.688 -3.070 1.00 0.00 C ATOM 1285 CG2 ILE A 83 -7.097 2.824 -3.234 1.00 0.00 C ATOM 1286 CD1 ILE A 83 -9.420 1.114 -1.653 1.00 0.00 C ATOM 0 H ILE A 83 -8.864 -0.407 -4.716 1.00 0.00 H new ATOM 0 HA ILE A 83 -8.530 2.278 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 83 -7.466 0.732 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.695 2.725 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.043 1.138 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.098 2.927 -2.149 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.074 2.688 -3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.518 3.723 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -10.441 1.181 -1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.108 0.070 -1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -8.755 1.681 -1.002 1.00 0.00 H new ATOM 1298 N HIS A 84 -5.745 0.525 -5.430 1.00 0.00 N ATOM 1299 CA HIS A 84 -4.395 0.455 -5.963 1.00 0.00 C ATOM 1300 C HIS A 84 -4.413 0.806 -7.453 1.00 0.00 C ATOM 1301 O HIS A 84 -3.613 1.619 -7.912 1.00 0.00 O ATOM 1302 CB HIS A 84 -3.771 -0.913 -5.684 1.00 0.00 C ATOM 1303 CG HIS A 84 -2.895 -1.428 -6.801 1.00 0.00 C ATOM 1304 ND1 HIS A 84 -2.859 -2.762 -7.171 1.00 0.00 N ATOM 1305 CD2 HIS A 84 -2.025 -0.776 -7.625 1.00 0.00 C ATOM 1306 CE1 HIS A 84 -2.002 -2.895 -8.172 1.00 0.00 C ATOM 1307 NE2 HIS A 84 -1.486 -1.663 -8.452 1.00 0.00 N ATOM 0 H HIS A 84 -5.982 -0.215 -4.769 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.763 1.187 -5.460 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -3.179 -0.851 -4.771 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -4.568 -1.634 -5.499 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -3.400 -3.514 -6.745 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.811 0.282 -7.607 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.755 -3.817 -8.678 1.00 0.00 H new ATOM 1315 N ARG A 85 -5.335 0.175 -8.165 1.00 0.00 N ATOM 1316 CA ARG A 85 -5.467 0.410 -9.593 1.00 0.00 C ATOM 1317 C ARG A 85 -5.631 1.905 -9.872 1.00 0.00 C ATOM 1318 O ARG A 85 -4.880 2.479 -10.658 1.00 0.00 O ATOM 1319 CB ARG A 85 -6.669 -0.344 -10.166 1.00 0.00 C ATOM 1320 CG ARG A 85 -6.280 -1.766 -10.576 1.00 0.00 C ATOM 1321 CD ARG A 85 -5.745 -1.797 -12.009 1.00 0.00 C ATOM 1322 NE ARG A 85 -5.669 -3.194 -12.491 1.00 0.00 N ATOM 1323 CZ ARG A 85 -5.290 -3.542 -13.728 1.00 0.00 C ATOM 1324 NH1 ARG A 85 -4.951 -2.597 -14.616 1.00 0.00 N ATOM 1325 NH2 ARG A 85 -5.251 -4.835 -14.078 1.00 0.00 N ATOM 0 H ARG A 85 -5.997 -0.498 -7.780 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.560 0.045 -10.075 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.467 -0.381 -9.424 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.061 0.193 -11.030 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.523 -2.151 -9.893 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.147 -2.422 -10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.395 -1.213 -12.661 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -4.758 -1.336 -12.047 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.921 -3.938 -11.841 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.982 -1.613 -14.350 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -4.662 -2.862 -15.558 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.510 -5.554 -13.403 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.962 -5.100 -15.020 1.00 0.00 H new ATOM 1339 N SER A 86 -6.619 2.493 -9.212 1.00 0.00 N ATOM 1340 CA SER A 86 -6.891 3.910 -9.379 1.00 0.00 C ATOM 1341 C SER A 86 -5.593 4.711 -9.252 1.00 0.00 C ATOM 1342 O SER A 86 -5.407 5.710 -9.944 1.00 0.00 O ATOM 1343 CB SER A 86 -7.918 4.398 -8.355 1.00 0.00 C ATOM 1344 OG SER A 86 -9.214 3.861 -8.601 1.00 0.00 O ATOM 0 H SER A 86 -7.240 2.013 -8.561 1.00 0.00 H new ATOM 0 HA SER A 86 -7.309 4.063 -10.374 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.593 4.116 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.966 5.487 -8.380 1.00 0.00 H new ATOM 0 HG SER A 86 -9.840 4.195 -7.925 1.00 0.00 H new ATOM 1350 N LEU A 87 -4.730 4.241 -8.364 1.00 0.00 N ATOM 1351 CA LEU A 87 -3.455 4.901 -8.138 1.00 0.00 C ATOM 1352 C LEU A 87 -2.538 4.653 -9.337 1.00 0.00 C ATOM 1353 O LEU A 87 -1.729 5.509 -9.692 1.00 0.00 O ATOM 1354 CB LEU A 87 -2.853 4.461 -6.802 1.00 0.00 C ATOM 1355 CG LEU A 87 -3.184 5.341 -5.595 1.00 0.00 C ATOM 1356 CD1 LEU A 87 -2.872 4.615 -4.285 1.00 0.00 C ATOM 1357 CD2 LEU A 87 -2.469 6.690 -5.687 1.00 0.00 C ATOM 0 H LEU A 87 -4.888 3.411 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.593 5.979 -8.059 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.191 3.446 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.769 4.420 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.255 5.543 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.116 5.263 -3.443 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.465 3.702 -4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.812 4.362 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.722 7.296 -4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.391 6.529 -5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.784 7.208 -6.593 1.00 0.00 H new ATOM 1369 N MET A 88 -2.695 3.478 -9.928 1.00 0.00 N ATOM 1370 CA MET A 88 -1.891 3.107 -11.080 1.00 0.00 C ATOM 1371 C MET A 88 -2.361 3.842 -12.337 1.00 0.00 C ATOM 1372 O MET A 88 -1.713 3.772 -13.380 1.00 0.00 O ATOM 1373 CB MET A 88 -1.988 1.597 -11.306 1.00 0.00 C ATOM 1374 CG MET A 88 -0.869 0.859 -10.568 1.00 0.00 C ATOM 1375 SD MET A 88 0.304 0.199 -11.740 1.00 0.00 S ATOM 1376 CE MET A 88 1.809 0.929 -11.118 1.00 0.00 C ATOM 0 H MET A 88 -3.367 2.770 -9.631 1.00 0.00 H new ATOM 0 HA MET A 88 -0.857 3.388 -10.883 1.00 0.00 H new ATOM 0 HB2 MET A 88 -2.956 1.235 -10.960 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.929 1.381 -12.373 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.365 1.539 -9.881 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.289 0.052 -9.968 1.00 0.00 H new ATOM 0 HE1 MET A 88 2.543 0.990 -11.921 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.599 1.930 -10.742 1.00 0.00 H new ATOM 0 HE3 MET A 88 2.205 0.313 -10.310 1.00 0.00 H new ATOM 1386 N VAL A 89 -3.483 4.531 -12.195 1.00 0.00 N ATOM 1387 CA VAL A 89 -4.047 5.279 -13.306 1.00 0.00 C ATOM 1388 C VAL A 89 -3.297 6.604 -13.457 1.00 0.00 C ATOM 1389 O VAL A 89 -2.736 6.886 -14.514 1.00 0.00 O ATOM 1390 CB VAL A 89 -5.552 5.464 -13.102 1.00 0.00 C ATOM 1391 CG1 VAL A 89 -6.138 6.404 -14.158 1.00 0.00 C ATOM 1392 CG2 VAL A 89 -6.276 4.116 -13.106 1.00 0.00 C ATOM 0 H VAL A 89 -4.017 4.587 -11.328 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.924 4.728 -14.238 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.703 5.923 -12.125 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.209 6.518 -13.990 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.654 7.378 -14.087 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.969 5.987 -15.151 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.344 4.276 -12.959 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.112 3.618 -14.061 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.889 3.492 -12.300 1.00 0.00 H new ATOM 1402 N ASP A 90 -3.312 7.381 -12.384 1.00 0.00 N ATOM 1403 CA ASP A 90 -2.640 8.669 -12.383 1.00 0.00 C ATOM 1404 C ASP A 90 -1.244 8.511 -11.776 1.00 0.00 C ATOM 1405 O ASP A 90 -0.242 8.605 -12.482 1.00 0.00 O ATOM 1406 CB ASP A 90 -3.409 9.691 -11.543 1.00 0.00 C ATOM 1407 CG ASP A 90 -4.702 10.207 -12.177 1.00 0.00 C ATOM 1408 OD1 ASP A 90 -4.729 10.291 -13.424 1.00 0.00 O ATOM 1409 OD2 ASP A 90 -5.635 10.505 -11.400 1.00 0.00 O ATOM 0 H ASP A 90 -3.779 7.143 -11.509 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.582 9.020 -13.413 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.649 9.240 -10.580 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.756 10.540 -11.344 1.00 0.00 H new ATOM 1414 N HIS A 91 -1.225 8.274 -10.472 1.00 0.00 N ATOM 1415 CA HIS A 91 0.031 8.103 -9.762 1.00 0.00 C ATOM 1416 C HIS A 91 0.561 6.686 -9.991 1.00 0.00 C ATOM 1417 O HIS A 91 0.675 5.902 -9.049 1.00 0.00 O ATOM 1418 CB HIS A 91 -0.133 8.442 -8.279 1.00 0.00 C ATOM 1419 CG HIS A 91 -1.220 9.452 -7.996 1.00 0.00 C ATOM 1420 ND1 HIS A 91 -0.956 10.786 -7.743 1.00 0.00 N ATOM 1421 CD2 HIS A 91 -2.575 9.308 -7.931 1.00 0.00 C ATOM 1422 CE1 HIS A 91 -2.107 11.408 -7.535 1.00 0.00 C ATOM 1423 NE2 HIS A 91 -3.109 10.491 -7.652 1.00 0.00 N ATOM 0 H HIS A 91 -2.059 8.196 -9.889 1.00 0.00 H new ATOM 0 HA HIS A 91 0.773 8.799 -10.154 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.350 7.526 -7.729 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.813 8.826 -7.898 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.121 8.388 -8.081 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.230 12.458 -7.312 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -4.105 10.682 -7.543 1.00 0.00 H new ATOM 1431 N VAL A 92 0.870 6.400 -11.247 1.00 0.00 N ATOM 1432 CA VAL A 92 1.385 5.091 -11.611 1.00 0.00 C ATOM 1433 C VAL A 92 2.903 5.073 -11.418 1.00 0.00 C ATOM 1434 O VAL A 92 3.514 4.006 -11.376 1.00 0.00 O ATOM 1435 CB VAL A 92 0.960 4.741 -13.039 1.00 0.00 C ATOM 1436 CG1 VAL A 92 1.903 5.376 -14.063 1.00 0.00 C ATOM 1437 CG2 VAL A 92 0.883 3.225 -13.231 1.00 0.00 C ATOM 0 H VAL A 92 0.774 7.052 -12.025 1.00 0.00 H new ATOM 0 HA VAL A 92 0.966 4.322 -10.963 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.037 5.151 -13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.579 5.112 -15.069 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.887 6.460 -13.950 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.917 5.009 -13.901 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.579 3.003 -14.254 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.861 2.784 -13.039 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.154 2.807 -12.537 1.00 0.00 H new ATOM 1447 N THR A 93 3.467 6.266 -11.305 1.00 0.00 N ATOM 1448 CA THR A 93 4.901 6.401 -11.116 1.00 0.00 C ATOM 1449 C THR A 93 5.234 6.540 -9.629 1.00 0.00 C ATOM 1450 O THR A 93 5.931 5.700 -9.064 1.00 0.00 O ATOM 1451 CB THR A 93 5.380 7.585 -11.959 1.00 0.00 C ATOM 1452 OG1 THR A 93 5.742 6.999 -13.207 1.00 0.00 O ATOM 1453 CG2 THR A 93 6.687 8.185 -11.437 1.00 0.00 C ATOM 0 H THR A 93 2.957 7.148 -11.341 1.00 0.00 H new ATOM 0 HA THR A 93 5.429 5.509 -11.452 1.00 0.00 H new ATOM 0 HB THR A 93 4.608 8.354 -11.975 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.063 7.697 -13.815 1.00 0.00 H new ATOM 0 HG21 THR A 93 6.982 9.021 -12.071 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.543 8.537 -10.415 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.468 7.425 -11.452 1.00 0.00 H new ATOM 1461 N GLU A 94 4.718 7.608 -9.038 1.00 0.00 N ATOM 1462 CA GLU A 94 4.951 7.868 -7.628 1.00 0.00 C ATOM 1463 C GLU A 94 4.796 6.579 -6.818 1.00 0.00 C ATOM 1464 O GLU A 94 5.687 6.210 -6.055 1.00 0.00 O ATOM 1465 CB GLU A 94 4.011 8.958 -7.109 1.00 0.00 C ATOM 1466 CG GLU A 94 4.694 10.328 -7.134 1.00 0.00 C ATOM 1467 CD GLU A 94 5.799 10.409 -6.080 1.00 0.00 C ATOM 1468 OE1 GLU A 94 6.919 9.951 -6.395 1.00 0.00 O ATOM 1469 OE2 GLU A 94 5.500 10.927 -4.982 1.00 0.00 O ATOM 0 H GLU A 94 4.140 8.303 -9.510 1.00 0.00 H new ATOM 0 HA GLU A 94 5.973 8.228 -7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.109 8.986 -7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.700 8.721 -6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 94 5.115 10.510 -8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 94 3.956 11.110 -6.953 1.00 0.00 H new ATOM 1476 N VAL A 95 3.657 5.930 -7.011 1.00 0.00 N ATOM 1477 CA VAL A 95 3.374 4.691 -6.308 1.00 0.00 C ATOM 1478 C VAL A 95 4.410 3.637 -6.703 1.00 0.00 C ATOM 1479 O VAL A 95 4.808 2.813 -5.880 1.00 0.00 O ATOM 1480 CB VAL A 95 1.936 4.248 -6.586 1.00 0.00 C ATOM 1481 CG1 VAL A 95 0.944 5.364 -6.251 1.00 0.00 C ATOM 1482 CG2 VAL A 95 1.775 3.788 -8.036 1.00 0.00 C ATOM 0 H VAL A 95 2.920 6.239 -7.644 1.00 0.00 H new ATOM 0 HA VAL A 95 3.453 4.837 -5.231 1.00 0.00 H new ATOM 0 HB VAL A 95 1.716 3.399 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.071 5.023 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.032 5.624 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.163 6.241 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.744 3.478 -8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 95 2.024 4.609 -8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.443 2.948 -8.227 1.00 0.00 H new ATOM 1492 N SER A 96 4.819 3.698 -7.961 1.00 0.00 N ATOM 1493 CA SER A 96 5.802 2.759 -8.475 1.00 0.00 C ATOM 1494 C SER A 96 7.026 2.728 -7.558 1.00 0.00 C ATOM 1495 O SER A 96 7.084 3.459 -6.570 1.00 0.00 O ATOM 1496 CB SER A 96 6.217 3.122 -9.902 1.00 0.00 C ATOM 1497 OG SER A 96 7.431 3.868 -9.932 1.00 0.00 O ATOM 0 H SER A 96 4.488 4.383 -8.640 1.00 0.00 H new ATOM 0 HA SER A 96 5.348 1.768 -8.498 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.337 2.210 -10.487 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.424 3.702 -10.374 1.00 0.00 H new ATOM 0 HG SER A 96 7.229 4.824 -9.857 1.00 0.00 H new ATOM 1503 N GLN A 97 7.974 1.875 -7.917 1.00 0.00 N ATOM 1504 CA GLN A 97 9.193 1.739 -7.138 1.00 0.00 C ATOM 1505 C GLN A 97 8.890 1.088 -5.787 1.00 0.00 C ATOM 1506 O GLN A 97 9.779 0.949 -4.948 1.00 0.00 O ATOM 1507 CB GLN A 97 9.879 3.094 -6.953 1.00 0.00 C ATOM 1508 CG GLN A 97 10.958 3.312 -8.015 1.00 0.00 C ATOM 1509 CD GLN A 97 12.308 3.627 -7.368 1.00 0.00 C ATOM 1510 OE1 GLN A 97 13.069 2.747 -6.999 1.00 0.00 O ATOM 1511 NE2 GLN A 97 12.563 4.927 -7.251 1.00 0.00 N ATOM 0 H GLN A 97 7.923 1.271 -8.737 1.00 0.00 H new ATOM 0 HA GLN A 97 9.880 1.093 -7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 97 9.139 3.892 -7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 97 10.325 3.147 -5.960 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.047 2.421 -8.636 1.00 0.00 H new ATOM 0 HG3 GLN A 97 10.666 4.131 -8.673 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.883 5.612 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.439 5.239 -6.832 1.00 0.00 H new ATOM 1520 N TRP A 98 7.632 0.708 -5.618 1.00 0.00 N ATOM 1521 CA TRP A 98 7.201 0.075 -4.383 1.00 0.00 C ATOM 1522 C TRP A 98 5.805 -0.507 -4.612 1.00 0.00 C ATOM 1523 O TRP A 98 5.518 -1.626 -4.190 1.00 0.00 O ATOM 1524 CB TRP A 98 7.254 1.061 -3.215 1.00 0.00 C ATOM 1525 CG TRP A 98 6.343 2.279 -3.387 1.00 0.00 C ATOM 1526 CD1 TRP A 98 6.643 3.462 -3.939 1.00 0.00 C ATOM 1527 CD2 TRP A 98 4.963 2.385 -2.979 1.00 0.00 C ATOM 1528 NE1 TRP A 98 5.562 4.320 -3.917 1.00 0.00 N ATOM 1529 CE2 TRP A 98 4.508 3.643 -3.315 1.00 0.00 C ATOM 1530 CE3 TRP A 98 4.126 1.448 -2.346 1.00 0.00 C ATOM 1531 CZ2 TRP A 98 3.202 4.080 -3.058 1.00 0.00 C ATOM 1532 CZ3 TRP A 98 2.825 1.900 -2.097 1.00 0.00 C ATOM 1533 CH2 TRP A 98 2.351 3.164 -2.429 1.00 0.00 C ATOM 0 H TRP A 98 6.897 0.826 -6.316 1.00 0.00 H new ATOM 0 HA TRP A 98 7.875 -0.737 -4.109 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.977 0.539 -2.299 1.00 0.00 H new ATOM 0 HB3 TRP A 98 8.281 1.403 -3.088 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.610 3.713 -4.350 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.541 5.274 -4.276 1.00 0.00 H new ATOM 0 HE3 TRP A 98 4.461 0.458 -2.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.870 5.071 -3.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 2.141 1.219 -1.613 1.00 0.00 H new ATOM 0 HH2 TRP A 98 1.331 3.438 -2.203 1.00 0.00 H new ATOM 1544 N MET A 99 4.973 0.279 -5.280 1.00 0.00 N ATOM 1545 CA MET A 99 3.614 -0.144 -5.570 1.00 0.00 C ATOM 1546 C MET A 99 3.557 -1.646 -5.857 1.00 0.00 C ATOM 1547 O MET A 99 2.581 -2.311 -5.513 1.00 0.00 O ATOM 1548 CB MET A 99 3.086 0.628 -6.781 1.00 0.00 C ATOM 1549 CG MET A 99 1.714 0.104 -7.209 1.00 0.00 C ATOM 1550 SD MET A 99 0.462 1.333 -6.880 1.00 0.00 S ATOM 1551 CE MET A 99 0.369 1.212 -5.102 1.00 0.00 C ATOM 0 H MET A 99 5.214 1.207 -5.629 1.00 0.00 H new ATOM 0 HA MET A 99 2.995 0.064 -4.698 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.015 1.688 -6.538 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.789 0.537 -7.609 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.724 -0.141 -8.271 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.483 -0.816 -6.672 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.467 1.811 -4.740 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.221 0.171 -4.815 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.296 1.580 -4.663 1.00 0.00 H new ATOM 1561 N VAL A 100 4.616 -2.137 -6.484 1.00 0.00 N ATOM 1562 CA VAL A 100 4.698 -3.548 -6.821 1.00 0.00 C ATOM 1563 C VAL A 100 4.554 -4.381 -5.547 1.00 0.00 C ATOM 1564 O VAL A 100 3.708 -5.272 -5.475 1.00 0.00 O ATOM 1565 CB VAL A 100 5.999 -3.830 -7.576 1.00 0.00 C ATOM 1566 CG1 VAL A 100 6.118 -2.939 -8.815 1.00 0.00 C ATOM 1567 CG2 VAL A 100 7.213 -3.661 -6.660 1.00 0.00 C ATOM 0 H VAL A 100 5.424 -1.583 -6.767 1.00 0.00 H new ATOM 0 HA VAL A 100 3.883 -3.830 -7.487 1.00 0.00 H new ATOM 0 HB VAL A 100 5.974 -4.867 -7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 100 7.051 -3.159 -9.333 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.278 -3.130 -9.483 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.110 -1.892 -8.512 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.124 -3.867 -7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 100 7.244 -2.639 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.137 -4.356 -5.824 1.00 0.00 H new ATOM 1577 N GLY A 101 5.393 -4.064 -4.572 1.00 0.00 N ATOM 1578 CA GLY A 101 5.370 -4.772 -3.303 1.00 0.00 C ATOM 1579 C GLY A 101 3.944 -4.871 -2.757 1.00 0.00 C ATOM 1580 O GLY A 101 3.455 -5.965 -2.482 1.00 0.00 O ATOM 0 H GLY A 101 6.094 -3.326 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.784 -5.772 -3.433 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.004 -4.255 -2.583 1.00 0.00 H new ATOM 1584 N VAL A 102 3.318 -3.712 -2.615 1.00 0.00 N ATOM 1585 CA VAL A 102 1.958 -3.654 -2.105 1.00 0.00 C ATOM 1586 C VAL A 102 1.107 -4.710 -2.814 1.00 0.00 C ATOM 1587 O VAL A 102 0.462 -5.531 -2.163 1.00 0.00 O ATOM 1588 CB VAL A 102 1.402 -2.237 -2.259 1.00 0.00 C ATOM 1589 CG1 VAL A 102 -0.029 -2.149 -1.726 1.00 0.00 C ATOM 1590 CG2 VAL A 102 2.308 -1.214 -1.570 1.00 0.00 C ATOM 0 H VAL A 102 3.727 -2.806 -2.844 1.00 0.00 H new ATOM 0 HA VAL A 102 1.939 -3.883 -1.039 1.00 0.00 H new ATOM 0 HB VAL A 102 1.379 -2.000 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.401 -1.131 -1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.667 -2.837 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.041 -2.416 -0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.890 -0.215 -1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.379 -1.448 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.302 -1.249 -2.016 1.00 0.00 H new ATOM 1600 N LYS A 103 1.134 -4.654 -4.137 1.00 0.00 N ATOM 1601 CA LYS A 103 0.373 -5.596 -4.941 1.00 0.00 C ATOM 1602 C LYS A 103 0.593 -7.012 -4.405 1.00 0.00 C ATOM 1603 O LYS A 103 -0.360 -7.772 -4.238 1.00 0.00 O ATOM 1604 CB LYS A 103 0.719 -5.438 -6.423 1.00 0.00 C ATOM 1605 CG LYS A 103 0.121 -6.578 -7.250 1.00 0.00 C ATOM 1606 CD LYS A 103 -0.519 -6.046 -8.534 1.00 0.00 C ATOM 1607 CE LYS A 103 -0.364 -7.047 -9.680 1.00 0.00 C ATOM 1608 NZ LYS A 103 1.017 -7.014 -10.213 1.00 0.00 N ATOM 0 H LYS A 103 1.670 -3.972 -4.673 1.00 0.00 H new ATOM 0 HA LYS A 103 -0.694 -5.388 -4.863 1.00 0.00 H new ATOM 0 HB2 LYS A 103 0.342 -4.483 -6.788 1.00 0.00 H new ATOM 0 HB3 LYS A 103 1.802 -5.423 -6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.900 -7.299 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.626 -7.108 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -1.577 -5.846 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.056 -5.098 -8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.601 -8.051 -9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -1.073 -6.812 -10.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 1.067 -7.582 -11.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.284 -6.032 -10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.672 -7.405 -9.506 1.00 0.00 H new ATOM 1622 N ARG A 104 1.855 -7.324 -4.151 1.00 0.00 N ATOM 1623 CA ARG A 104 2.213 -8.635 -3.637 1.00 0.00 C ATOM 1624 C ARG A 104 1.639 -8.830 -2.232 1.00 0.00 C ATOM 1625 O ARG A 104 0.964 -9.824 -1.966 1.00 0.00 O ATOM 1626 CB ARG A 104 3.732 -8.812 -3.588 1.00 0.00 C ATOM 1627 CG ARG A 104 4.115 -10.291 -3.672 1.00 0.00 C ATOM 1628 CD ARG A 104 3.783 -10.866 -5.051 1.00 0.00 C ATOM 1629 NE ARG A 104 5.019 -10.999 -5.855 1.00 0.00 N ATOM 1630 CZ ARG A 104 5.045 -11.398 -7.134 1.00 0.00 C ATOM 1631 NH1 ARG A 104 3.902 -11.706 -7.762 1.00 0.00 N ATOM 1632 NH2 ARG A 104 6.212 -11.489 -7.784 1.00 0.00 N ATOM 0 H ARG A 104 2.643 -6.691 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 104 1.793 -9.381 -4.312 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.192 -8.266 -4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.122 -8.384 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.180 -10.406 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.584 -10.852 -2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.303 -11.839 -4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.074 -10.216 -5.564 1.00 0.00 H new ATOM 0 HE ARG A 104 5.907 -10.773 -5.407 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.013 -11.637 -7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.921 -12.010 -8.736 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.082 -11.255 -7.306 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.231 -11.793 -8.758 1.00 0.00 H new ATOM 1646 N LEU A 105 1.927 -7.866 -1.371 1.00 0.00 N ATOM 1647 CA LEU A 105 1.448 -7.919 0.000 1.00 0.00 C ATOM 1648 C LEU A 105 -0.038 -8.283 0.002 1.00 0.00 C ATOM 1649 O LEU A 105 -0.453 -9.211 0.695 1.00 0.00 O ATOM 1650 CB LEU A 105 1.762 -6.611 0.728 1.00 0.00 C ATOM 1651 CG LEU A 105 1.608 -6.637 2.250 1.00 0.00 C ATOM 1652 CD1 LEU A 105 2.943 -6.351 2.941 1.00 0.00 C ATOM 1653 CD2 LEU A 105 0.508 -5.677 2.707 1.00 0.00 C ATOM 0 H LEU A 105 2.486 -7.043 -1.596 1.00 0.00 H new ATOM 0 HA LEU A 105 1.969 -8.699 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.786 -6.323 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.112 -5.832 0.330 1.00 0.00 H new ATOM 0 HG LEU A 105 1.301 -7.640 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.806 -6.375 4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.672 -7.107 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.303 -5.366 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.420 -5.715 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.760 -4.662 2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.440 -5.969 2.255 1.00 0.00 H new ATOM 1665 N ILE A 106 -0.799 -7.533 -0.781 1.00 0.00 N ATOM 1666 CA ILE A 106 -2.231 -7.765 -0.878 1.00 0.00 C ATOM 1667 C ILE A 106 -2.484 -9.244 -1.174 1.00 0.00 C ATOM 1668 O ILE A 106 -3.080 -9.950 -0.362 1.00 0.00 O ATOM 1669 CB ILE A 106 -2.859 -6.816 -1.901 1.00 0.00 C ATOM 1670 CG1 ILE A 106 -2.642 -5.356 -1.500 1.00 0.00 C ATOM 1671 CG2 ILE A 106 -4.339 -7.140 -2.112 1.00 0.00 C ATOM 1672 CD1 ILE A 106 -2.946 -4.416 -2.668 1.00 0.00 C ATOM 0 H ILE A 106 -0.452 -6.764 -1.354 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.719 -7.542 0.071 1.00 0.00 H new ATOM 0 HB ILE A 106 -2.358 -6.964 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.282 -5.109 -0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.612 -5.214 -1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -4.762 -6.451 -2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.439 -8.162 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -4.872 -7.038 -1.167 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.784 -3.384 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.287 -4.650 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.984 -4.543 -2.977 1.00 0.00 H new ATOM 1684 N ALA A 107 -2.019 -9.670 -2.339 1.00 0.00 N ATOM 1685 CA ALA A 107 -2.188 -11.053 -2.753 1.00 0.00 C ATOM 1686 C ALA A 107 -1.721 -11.978 -1.627 1.00 0.00 C ATOM 1687 O ALA A 107 -2.402 -12.946 -1.292 1.00 0.00 O ATOM 1688 CB ALA A 107 -1.426 -11.292 -4.058 1.00 0.00 C ATOM 0 H ALA A 107 -1.525 -9.082 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.239 -11.271 -2.945 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.553 -12.329 -4.369 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -1.815 -10.631 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.367 -11.086 -3.904 1.00 0.00 H new ATOM 1694 N GLU A 108 -0.563 -11.647 -1.074 1.00 0.00 N ATOM 1695 CA GLU A 108 0.002 -12.436 0.007 1.00 0.00 C ATOM 1696 C GLU A 108 -0.995 -12.544 1.163 1.00 0.00 C ATOM 1697 O GLU A 108 -1.431 -13.640 1.511 1.00 0.00 O ATOM 1698 CB GLU A 108 1.330 -11.843 0.482 1.00 0.00 C ATOM 1699 CG GLU A 108 2.435 -12.075 -0.550 1.00 0.00 C ATOM 1700 CD GLU A 108 3.654 -12.741 0.092 1.00 0.00 C ATOM 1701 OE1 GLU A 108 4.096 -12.225 1.141 1.00 0.00 O ATOM 1702 OE2 GLU A 108 4.116 -13.751 -0.482 1.00 0.00 O ATOM 0 H GLU A 108 -0.001 -10.843 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 108 0.203 -13.439 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 108 1.212 -10.774 0.660 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.615 -12.294 1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.057 -12.702 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.728 -11.124 -0.995 1.00 0.00 H new ATOM 1709 N LYS A 109 -1.326 -11.391 1.727 1.00 0.00 N ATOM 1710 CA LYS A 109 -2.263 -11.343 2.836 1.00 0.00 C ATOM 1711 C LYS A 109 -3.464 -12.237 2.523 1.00 0.00 C ATOM 1712 O LYS A 109 -3.762 -13.167 3.270 1.00 0.00 O ATOM 1713 CB LYS A 109 -2.641 -9.895 3.155 1.00 0.00 C ATOM 1714 CG LYS A 109 -1.538 -9.206 3.962 1.00 0.00 C ATOM 1715 CD LYS A 109 -1.540 -9.687 5.415 1.00 0.00 C ATOM 1716 CE LYS A 109 -2.769 -9.166 6.163 1.00 0.00 C ATOM 1717 NZ LYS A 109 -3.290 -10.199 7.086 1.00 0.00 N ATOM 0 H LYS A 109 -0.962 -10.484 1.436 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.801 -11.735 3.742 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.814 -9.348 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -3.575 -9.874 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.568 -9.411 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.681 -8.126 3.932 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.529 -10.777 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -0.634 -9.347 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.508 -8.268 6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -3.543 -8.883 5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.124 -9.829 7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.558 -11.045 6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -2.555 -10.449 7.778 1.00 0.00 H new ATOM 1731 N LYS A 110 -4.122 -11.924 1.416 1.00 0.00 N ATOM 1732 CA LYS A 110 -5.284 -12.687 0.994 1.00 0.00 C ATOM 1733 C LYS A 110 -4.935 -14.177 0.986 1.00 0.00 C ATOM 1734 O LYS A 110 -5.648 -14.989 1.573 1.00 0.00 O ATOM 1735 CB LYS A 110 -5.807 -12.170 -0.347 1.00 0.00 C ATOM 1736 CG LYS A 110 -7.029 -12.970 -0.805 1.00 0.00 C ATOM 1737 CD LYS A 110 -7.479 -12.533 -2.200 1.00 0.00 C ATOM 1738 CE LYS A 110 -7.382 -13.691 -3.195 1.00 0.00 C ATOM 1739 NZ LYS A 110 -6.135 -13.591 -3.986 1.00 0.00 N ATOM 0 H LYS A 110 -3.872 -11.152 0.798 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.103 -12.555 1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -6.071 -11.116 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -5.021 -12.238 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.790 -14.033 -0.813 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -7.845 -12.832 -0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.506 -12.170 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.861 -11.702 -2.542 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.405 -14.641 -2.660 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -8.244 -13.679 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -6.085 -14.384 -4.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -6.128 -12.693 -4.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.315 -13.625 -3.347 1.00 0.00 H new ATOM 1753 N SER A 111 -3.837 -14.490 0.313 1.00 0.00 N ATOM 1754 CA SER A 111 -3.384 -15.868 0.220 1.00 0.00 C ATOM 1755 C SER A 111 -3.399 -16.518 1.605 1.00 0.00 C ATOM 1756 O SER A 111 -4.023 -17.560 1.799 1.00 0.00 O ATOM 1757 CB SER A 111 -1.983 -15.948 -0.389 1.00 0.00 C ATOM 1758 OG SER A 111 -1.945 -16.799 -1.530 1.00 0.00 O ATOM 0 H SER A 111 -3.248 -13.813 -0.173 1.00 0.00 H new ATOM 0 HA SER A 111 -4.066 -16.409 -0.436 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.653 -14.948 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.282 -16.315 0.361 1.00 0.00 H new ATOM 0 HG SER A 111 -1.034 -16.822 -1.891 1.00 0.00 H new ATOM 1764 N LEU A 112 -2.704 -15.876 2.533 1.00 0.00 N ATOM 1765 CA LEU A 112 -2.629 -16.378 3.894 1.00 0.00 C ATOM 1766 C LEU A 112 -4.013 -16.863 4.331 1.00 0.00 C ATOM 1767 O LEU A 112 -4.182 -18.026 4.695 1.00 0.00 O ATOM 1768 CB LEU A 112 -2.026 -15.323 4.822 1.00 0.00 C ATOM 1769 CG LEU A 112 -0.613 -14.850 4.472 1.00 0.00 C ATOM 1770 CD1 LEU A 112 -0.215 -13.638 5.317 1.00 0.00 C ATOM 1771 CD2 LEU A 112 0.395 -15.993 4.598 1.00 0.00 C ATOM 0 H LEU A 112 -2.188 -15.012 2.368 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.959 -17.236 3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.686 -14.456 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.013 -15.724 5.835 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.608 -14.531 3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.793 -13.322 5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.912 -12.821 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.242 -13.906 6.373 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.391 -15.630 4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.396 -16.366 5.622 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.118 -16.799 3.918 1.00 0.00 H new