USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 SER OG : rot 103:sc= 0.0224 USER MOD Set 1.2: A 117 GLN : amide:sc= -0.653 K(o=-0.63,f=-1.7!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ 173:sc= 0.0766 (180deg=0) USER MOD Set 2.2: A 69 ASN : amide:sc= -0.172 K(o=-0.096,f=-1.9) USER MOD Single : A 11 MET CE :methyl -135:sc= -0.0131 (180deg=-0.212) USER MOD Single : A 13 GLN : amide:sc= -0.662 K(o=-0.66,f=-3.7) USER MOD Single : A 20 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.2!) USER MOD Single : A 22 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0747) USER MOD Single : A 23 ASN : amide:sc= -0.344 K(o=-0.34,f=0.86) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.943 K(o=-0.94,f=-0.16) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.48! C(o=-1.5!,f=-4.5!) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.37 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 65:sc= 0.00773 USER MOD Single : A 52 GLN : amide:sc= -1.59 K(o=-1.6,f=-8.1!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc=-0.00668 X(o=-0.0067,f=-0.028) USER MOD Single : A 58 SER OG : rot 74:sc= -1.26 USER MOD Single : A 60 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.0042) USER MOD Single : A 64 ASN : amide:sc= -5.39! C(o=-5.4!,f=-4!) USER MOD Single : A 71 SER OG : rot 130:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.44) USER MOD Single : A 106 LYS NZ :NH3+ 159:sc= -0.0038 (180deg=-0.15) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl -128:sc= -0.797 (180deg=-3.7!) USER MOD Single : A 121 HIS : no HD1:sc= -3.4! C(o=-3.4!,f=-2.5!) USER MOD Single : A 122 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.765 4.395 7.986 1.00 0.00 N ATOM 173 CA MET A 11 -3.639 3.638 7.467 1.00 0.00 C ATOM 174 C MET A 11 -3.439 2.342 8.255 1.00 0.00 C ATOM 175 O MET A 11 -3.033 1.326 7.694 1.00 0.00 O ATOM 176 CB MET A 11 -2.369 4.488 7.551 1.00 0.00 C ATOM 177 CG MET A 11 -1.877 4.597 8.995 1.00 0.00 C ATOM 178 SD MET A 11 -0.891 6.072 9.195 1.00 0.00 S ATOM 179 CE MET A 11 -2.185 7.298 9.289 1.00 0.00 C ATOM 0 HA MET A 11 -3.847 3.381 6.428 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.590 4.046 6.930 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.567 5.484 7.154 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.727 4.623 9.677 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.287 3.718 9.254 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.924 8.151 8.662 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.123 6.865 8.941 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.299 7.628 10.322 1.00 0.00 H new ATOM 189 N ARG A 12 -3.733 2.420 9.545 1.00 0.00 N ATOM 190 CA ARG A 12 -3.591 1.267 10.416 1.00 0.00 C ATOM 191 C ARG A 12 -4.321 0.060 9.823 1.00 0.00 C ATOM 192 O ARG A 12 -3.755 -1.028 9.728 1.00 0.00 O ATOM 193 CB ARG A 12 -4.150 1.557 11.811 1.00 0.00 C ATOM 194 CG ARG A 12 -3.029 1.613 12.850 1.00 0.00 C ATOM 195 CD ARG A 12 -3.513 2.269 14.145 1.00 0.00 C ATOM 196 NE ARG A 12 -3.371 1.324 15.275 1.00 0.00 N ATOM 197 CZ ARG A 12 -4.283 0.398 15.599 1.00 0.00 C ATOM 198 NH1 ARG A 12 -5.408 0.285 14.880 1.00 0.00 N ATOM 199 NH2 ARG A 12 -4.070 -0.417 16.641 1.00 0.00 N ATOM 0 H ARG A 12 -4.069 3.265 10.007 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.527 1.047 10.502 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.689 2.504 11.801 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.868 0.785 12.087 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.673 0.605 13.060 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.184 2.172 12.449 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.937 3.173 14.342 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.555 2.571 14.042 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.526 1.381 15.843 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.570 0.904 14.086 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.102 -0.420 15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.213 -0.332 17.188 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.765 -1.122 16.887 1.00 0.00 H new ATOM 213 N GLN A 13 -5.568 0.293 9.439 1.00 0.00 N ATOM 214 CA GLN A 13 -6.381 -0.761 8.857 1.00 0.00 C ATOM 215 C GLN A 13 -5.699 -1.333 7.614 1.00 0.00 C ATOM 216 O GLN A 13 -5.664 -2.548 7.424 1.00 0.00 O ATOM 217 CB GLN A 13 -7.785 -0.250 8.526 1.00 0.00 C ATOM 218 CG GLN A 13 -8.769 -0.585 9.649 1.00 0.00 C ATOM 219 CD GLN A 13 -9.243 -2.036 9.549 1.00 0.00 C ATOM 220 OE1 GLN A 13 -8.582 -2.895 8.990 1.00 0.00 O ATOM 221 NE2 GLN A 13 -10.423 -2.260 10.120 1.00 0.00 N ATOM 0 H GLN A 13 -6.035 1.196 9.520 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.484 -1.561 9.591 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.756 0.829 8.372 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.128 -0.696 7.592 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.293 -0.420 10.616 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.627 0.086 9.598 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.924 -1.495 10.572 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.827 -3.197 10.106 1.00 0.00 H new ATOM 230 N LEU A 14 -5.172 -0.431 6.798 1.00 0.00 N ATOM 231 CA LEU A 14 -4.492 -0.831 5.578 1.00 0.00 C ATOM 232 C LEU A 14 -3.401 -1.848 5.918 1.00 0.00 C ATOM 233 O LEU A 14 -3.504 -3.019 5.556 1.00 0.00 O ATOM 234 CB LEU A 14 -3.977 0.397 4.825 1.00 0.00 C ATOM 235 CG LEU A 14 -5.023 1.190 4.040 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.384 2.383 3.326 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.786 0.284 3.071 1.00 0.00 C ATOM 0 H LEU A 14 -5.203 0.576 6.958 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.186 -1.324 4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.505 1.068 5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.200 0.074 4.132 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.750 1.589 4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.149 2.930 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.924 3.043 4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.623 2.027 2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.523 0.873 2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.087 -0.165 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.292 -0.503 3.630 1.00 0.00 H new ATOM 249 N ILE A 15 -2.379 -1.363 6.609 1.00 0.00 N ATOM 250 CA ILE A 15 -1.269 -2.215 7.001 1.00 0.00 C ATOM 251 C ILE A 15 -1.811 -3.565 7.475 1.00 0.00 C ATOM 252 O ILE A 15 -1.300 -4.614 7.086 1.00 0.00 O ATOM 253 CB ILE A 15 -0.390 -1.507 8.034 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.393 -0.359 7.394 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.529 -2.502 8.745 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.236 0.992 7.738 1.00 0.00 C ATOM 0 H ILE A 15 -2.297 -0.391 6.907 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.620 -2.414 6.148 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.039 -1.069 8.792 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.426 -0.382 7.740 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.416 -0.489 6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.143 -1.973 9.474 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.074 -3.253 9.255 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.173 -2.989 8.013 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.340 1.791 7.271 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.261 1.020 7.369 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.235 1.129 8.819 1.00 0.00 H new ATOM 268 N ASP A 16 -2.838 -3.494 8.309 1.00 0.00 N ATOM 269 CA ASP A 16 -3.455 -4.698 8.840 1.00 0.00 C ATOM 270 C ASP A 16 -4.064 -5.504 7.691 1.00 0.00 C ATOM 271 O ASP A 16 -3.854 -6.712 7.596 1.00 0.00 O ATOM 272 CB ASP A 16 -4.576 -4.355 9.823 1.00 0.00 C ATOM 273 CG ASP A 16 -4.542 -5.133 11.140 1.00 0.00 C ATOM 274 OD1 ASP A 16 -3.456 -5.152 11.760 1.00 0.00 O ATOM 275 OD2 ASP A 16 -5.602 -5.691 11.497 1.00 0.00 O ATOM 0 H ASP A 16 -3.258 -2.622 8.630 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.685 -5.271 9.357 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.529 -3.289 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.534 -4.537 9.336 1.00 0.00 H new ATOM 280 N ILE A 17 -4.806 -4.802 6.847 1.00 0.00 N ATOM 281 CA ILE A 17 -5.447 -5.437 5.709 1.00 0.00 C ATOM 282 C ILE A 17 -4.408 -6.244 4.928 1.00 0.00 C ATOM 283 O ILE A 17 -4.606 -7.429 4.665 1.00 0.00 O ATOM 284 CB ILE A 17 -6.183 -4.399 4.860 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.699 -4.541 5.011 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.744 -4.475 3.397 1.00 0.00 C ATOM 287 CD1 ILE A 17 -8.245 -3.543 6.034 1.00 0.00 C ATOM 0 H ILE A 17 -4.977 -3.800 6.929 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.210 -6.139 6.045 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.914 -3.408 5.226 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.181 -4.379 4.047 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.943 -5.557 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.283 -3.726 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.673 -4.286 3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.963 -5.467 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.325 -3.666 6.122 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.779 -3.724 7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.021 -2.528 5.707 1.00 0.00 H new ATOM 299 N VAL A 18 -3.322 -5.570 4.580 1.00 0.00 N ATOM 300 CA VAL A 18 -2.251 -6.209 3.835 1.00 0.00 C ATOM 301 C VAL A 18 -1.820 -7.484 4.562 1.00 0.00 C ATOM 302 O VAL A 18 -2.059 -8.590 4.079 1.00 0.00 O ATOM 303 CB VAL A 18 -1.100 -5.223 3.623 1.00 0.00 C ATOM 304 CG1 VAL A 18 -0.102 -5.758 2.594 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.625 -3.846 3.213 1.00 0.00 C ATOM 0 H VAL A 18 -3.161 -4.587 4.800 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.597 -6.501 2.844 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.576 -5.112 4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.706 -5.038 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.309 -6.705 2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.609 -5.913 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.786 -3.165 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.186 -3.933 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.277 -3.458 3.995 1.00 0.00 H new ATOM 315 N ASP A 19 -1.192 -7.288 5.712 1.00 0.00 N ATOM 316 CA ASP A 19 -0.725 -8.408 6.511 1.00 0.00 C ATOM 317 C ASP A 19 -1.757 -9.536 6.452 1.00 0.00 C ATOM 318 O ASP A 19 -1.398 -10.704 6.317 1.00 0.00 O ATOM 319 CB ASP A 19 -0.549 -8.005 7.977 1.00 0.00 C ATOM 320 CG ASP A 19 0.226 -9.006 8.835 1.00 0.00 C ATOM 321 OD1 ASP A 19 0.147 -10.211 8.511 1.00 0.00 O ATOM 322 OD2 ASP A 19 0.879 -8.545 9.795 1.00 0.00 O ATOM 0 H ASP A 19 -0.996 -6.370 6.110 1.00 0.00 H new ATOM 0 HA ASP A 19 0.235 -8.732 6.109 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.036 -7.044 8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.535 -7.858 8.418 1.00 0.00 H new ATOM 327 N GLN A 20 -3.019 -9.146 6.556 1.00 0.00 N ATOM 328 CA GLN A 20 -4.106 -10.109 6.516 1.00 0.00 C ATOM 329 C GLN A 20 -4.028 -10.945 5.237 1.00 0.00 C ATOM 330 O GLN A 20 -4.095 -12.173 5.288 1.00 0.00 O ATOM 331 CB GLN A 20 -5.463 -9.411 6.632 1.00 0.00 C ATOM 332 CG GLN A 20 -6.537 -10.380 7.131 1.00 0.00 C ATOM 333 CD GLN A 20 -6.098 -11.066 8.426 1.00 0.00 C ATOM 334 OE1 GLN A 20 -5.389 -12.059 8.423 1.00 0.00 O ATOM 335 NE2 GLN A 20 -6.558 -10.484 9.529 1.00 0.00 N ATOM 0 H GLN A 20 -3.313 -8.176 6.668 1.00 0.00 H new ATOM 0 HA GLN A 20 -4.004 -10.777 7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.384 -8.566 7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.753 -9.009 5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.469 -9.840 7.299 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.737 -11.131 6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.147 -9.654 9.460 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.322 -10.867 10.444 1.00 0.00 H new ATOM 344 N LEU A 21 -3.886 -10.248 4.120 1.00 0.00 N ATOM 345 CA LEU A 21 -3.798 -10.910 2.830 1.00 0.00 C ATOM 346 C LEU A 21 -2.404 -11.521 2.669 1.00 0.00 C ATOM 347 O LEU A 21 -2.257 -12.599 2.096 1.00 0.00 O ATOM 348 CB LEU A 21 -4.180 -9.946 1.705 1.00 0.00 C ATOM 349 CG LEU A 21 -3.016 -9.291 0.959 1.00 0.00 C ATOM 350 CD1 LEU A 21 -2.850 -9.895 -0.437 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.182 -7.771 0.909 1.00 0.00 C ATOM 0 H LEU A 21 -3.830 -9.230 4.081 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.515 -11.729 2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.791 -10.487 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.806 -9.158 2.125 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.099 -9.497 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.016 -9.412 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.652 -10.963 -0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.764 -9.741 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.341 -7.331 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.110 -7.523 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.213 -7.375 1.924 1.00 0.00 H new ATOM 363 N LYS A 22 -1.416 -10.805 3.186 1.00 0.00 N ATOM 364 CA LYS A 22 -0.039 -11.263 3.108 1.00 0.00 C ATOM 365 C LYS A 22 0.098 -12.585 3.864 1.00 0.00 C ATOM 366 O LYS A 22 0.848 -13.467 3.449 1.00 0.00 O ATOM 367 CB LYS A 22 0.917 -10.173 3.596 1.00 0.00 C ATOM 368 CG LYS A 22 2.300 -10.331 2.961 1.00 0.00 C ATOM 369 CD LYS A 22 3.334 -9.458 3.675 1.00 0.00 C ATOM 370 CE LYS A 22 3.872 -10.157 4.925 1.00 0.00 C ATOM 371 NZ LYS A 22 4.965 -11.089 4.567 1.00 0.00 N ATOM 0 H LYS A 22 -1.542 -9.911 3.661 1.00 0.00 H new ATOM 0 HA LYS A 22 0.239 -11.458 2.072 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.511 -9.192 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.004 -10.220 4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.608 -11.376 3.006 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.254 -10.058 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.157 -9.234 2.996 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.882 -8.506 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.237 -9.415 5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.068 -10.703 5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.968 -11.891 5.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.819 -11.440 3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.877 -10.592 4.621 1.00 0.00 H new ATOM 385 N ASN A 23 -0.639 -12.682 4.961 1.00 0.00 N ATOM 386 CA ASN A 23 -0.609 -13.882 5.780 1.00 0.00 C ATOM 387 C ASN A 23 -1.205 -15.048 4.989 1.00 0.00 C ATOM 388 O ASN A 23 -1.055 -16.206 5.376 1.00 0.00 O ATOM 389 CB ASN A 23 -1.438 -13.701 7.053 1.00 0.00 C ATOM 390 CG ASN A 23 -0.980 -14.667 8.147 1.00 0.00 C ATOM 391 OD1 ASN A 23 -0.955 -15.875 7.975 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.621 -14.071 9.280 1.00 0.00 N ATOM 0 H ASN A 23 -1.261 -11.949 5.302 1.00 0.00 H new ATOM 0 HA ASN A 23 0.428 -14.080 6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.347 -12.674 7.408 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.492 -13.869 6.832 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.301 -14.630 10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.666 -13.055 9.358 1.00 0.00 H new ATOM 399 N TYR A 24 -1.868 -14.702 3.896 1.00 0.00 N ATOM 400 CA TYR A 24 -2.488 -15.706 3.047 1.00 0.00 C ATOM 401 C TYR A 24 -1.785 -15.786 1.690 1.00 0.00 C ATOM 402 O TYR A 24 -2.378 -16.222 0.705 1.00 0.00 O ATOM 403 CB TYR A 24 -3.931 -15.246 2.834 1.00 0.00 C ATOM 404 CG TYR A 24 -4.846 -15.492 4.036 1.00 0.00 C ATOM 405 CD1 TYR A 24 -4.325 -16.004 5.206 1.00 0.00 C ATOM 406 CD2 TYR A 24 -6.193 -15.201 3.948 1.00 0.00 C ATOM 407 CE1 TYR A 24 -5.186 -16.235 6.337 1.00 0.00 C ATOM 408 CE2 TYR A 24 -7.054 -15.433 5.079 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.508 -15.938 6.218 1.00 0.00 C ATOM 410 OH TYR A 24 -7.322 -16.156 7.285 1.00 0.00 O ATOM 0 H TYR A 24 -1.990 -13.740 3.578 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.428 -16.691 3.510 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.932 -14.181 2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.342 -15.762 1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.271 -16.232 5.274 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.601 -14.800 3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.791 -16.635 7.259 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.110 -15.211 5.024 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.239 -15.897 7.055 1.00 0.00 H new ATOM 420 N VAL A 25 -0.531 -15.359 1.683 1.00 0.00 N ATOM 421 CA VAL A 25 0.259 -15.376 0.464 1.00 0.00 C ATOM 422 C VAL A 25 0.133 -16.749 -0.201 1.00 0.00 C ATOM 423 O VAL A 25 0.096 -16.849 -1.426 1.00 0.00 O ATOM 424 CB VAL A 25 1.707 -14.993 0.772 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.342 -15.986 1.748 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.531 -14.883 -0.512 1.00 0.00 C ATOM 0 H VAL A 25 -0.042 -14.999 2.503 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.115 -14.636 -0.243 1.00 0.00 H new ATOM 0 HB VAL A 25 1.699 -14.013 1.249 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.371 -15.690 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.777 -15.992 2.680 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.331 -16.984 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.557 -14.609 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.526 -15.842 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.098 -14.119 -1.158 1.00 0.00 H new ATOM 436 N ASN A 26 0.069 -17.773 0.638 1.00 0.00 N ATOM 437 CA ASN A 26 -0.052 -19.135 0.147 1.00 0.00 C ATOM 438 C ASN A 26 -1.222 -19.217 -0.836 1.00 0.00 C ATOM 439 O ASN A 26 -1.283 -20.129 -1.658 1.00 0.00 O ATOM 440 CB ASN A 26 -0.330 -20.111 1.293 1.00 0.00 C ATOM 441 CG ASN A 26 -0.313 -21.558 0.797 1.00 0.00 C ATOM 442 OD1 ASN A 26 0.692 -22.247 0.848 1.00 0.00 O ATOM 443 ND2 ASN A 26 -1.480 -21.978 0.317 1.00 0.00 N ATOM 0 H ASN A 26 0.099 -17.687 1.654 1.00 0.00 H new ATOM 0 HA ASN A 26 0.887 -19.403 -0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.418 -19.982 2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.299 -19.887 1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.573 -22.930 -0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.282 -21.348 0.304 1.00 0.00 H new ATOM 450 N ASP A 27 -2.120 -18.250 -0.719 1.00 0.00 N ATOM 451 CA ASP A 27 -3.284 -18.201 -1.587 1.00 0.00 C ATOM 452 C ASP A 27 -3.225 -16.932 -2.440 1.00 0.00 C ATOM 453 O ASP A 27 -4.217 -16.214 -2.561 1.00 0.00 O ATOM 454 CB ASP A 27 -4.578 -18.163 -0.772 1.00 0.00 C ATOM 455 CG ASP A 27 -4.797 -19.363 0.150 1.00 0.00 C ATOM 456 OD1 ASP A 27 -4.032 -19.471 1.133 1.00 0.00 O ATOM 457 OD2 ASP A 27 -5.724 -20.147 -0.148 1.00 0.00 O ATOM 0 H ASP A 27 -2.065 -17.494 -0.036 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.277 -19.095 -2.211 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.583 -17.255 -0.169 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.421 -18.094 -1.460 1.00 0.00 H new ATOM 462 N LEU A 28 -2.053 -16.694 -3.010 1.00 0.00 N ATOM 463 CA LEU A 28 -1.852 -15.525 -3.848 1.00 0.00 C ATOM 464 C LEU A 28 -1.390 -15.971 -5.237 1.00 0.00 C ATOM 465 O LEU A 28 -0.717 -16.992 -5.373 1.00 0.00 O ATOM 466 CB LEU A 28 -0.899 -14.538 -3.171 1.00 0.00 C ATOM 467 CG LEU A 28 -1.515 -13.640 -2.096 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.492 -12.630 -1.573 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.782 -12.957 -2.613 1.00 0.00 C ATOM 0 H LEU A 28 -1.233 -17.291 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.790 -14.987 -3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.083 -15.103 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.460 -13.902 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.808 -14.267 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.956 -12.004 -0.810 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.356 -13.161 -1.140 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.146 -12.004 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.200 -12.325 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.537 -12.345 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.513 -13.714 -2.897 1.00 0.00 H new ATOM 481 N VAL A 29 -1.770 -15.184 -6.233 1.00 0.00 N ATOM 482 CA VAL A 29 -1.404 -15.486 -7.607 1.00 0.00 C ATOM 483 C VAL A 29 -0.244 -14.582 -8.030 1.00 0.00 C ATOM 484 O VAL A 29 -0.367 -13.359 -8.014 1.00 0.00 O ATOM 485 CB VAL A 29 -2.627 -15.354 -8.516 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.820 -13.905 -8.968 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.521 -16.295 -9.718 1.00 0.00 C ATOM 0 H VAL A 29 -2.327 -14.338 -6.116 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.062 -16.517 -7.694 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.506 -15.645 -7.940 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.696 -13.839 -9.613 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.963 -13.268 -8.095 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.939 -13.575 -9.518 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.403 -16.181 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.629 -16.050 -10.295 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.455 -17.325 -9.369 1.00 0.00 H new ATOM 497 N PRO A 30 0.886 -15.237 -8.410 1.00 0.00 N ATOM 498 CA PRO A 30 2.067 -14.506 -8.838 1.00 0.00 C ATOM 499 C PRO A 30 1.880 -13.939 -10.247 1.00 0.00 C ATOM 500 O PRO A 30 1.774 -14.692 -11.214 1.00 0.00 O ATOM 501 CB PRO A 30 3.205 -15.510 -8.748 1.00 0.00 C ATOM 502 CG PRO A 30 2.550 -16.882 -8.721 1.00 0.00 C ATOM 503 CD PRO A 30 1.068 -16.685 -8.443 1.00 0.00 C ATOM 0 HA PRO A 30 2.272 -13.635 -8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.878 -15.415 -9.600 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.802 -15.344 -7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.695 -17.393 -9.673 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.003 -17.506 -7.951 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.455 -17.143 -9.219 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.778 -17.142 -7.497 1.00 0.00 H new ATOM 511 N GLU A 31 1.847 -12.617 -10.318 1.00 0.00 N ATOM 512 CA GLU A 31 1.675 -11.940 -11.592 1.00 0.00 C ATOM 513 C GLU A 31 2.543 -10.681 -11.646 1.00 0.00 C ATOM 514 O GLU A 31 2.991 -10.187 -10.612 1.00 0.00 O ATOM 515 CB GLU A 31 0.203 -11.602 -11.840 1.00 0.00 C ATOM 516 CG GLU A 31 -0.572 -12.837 -12.303 1.00 0.00 C ATOM 517 CD GLU A 31 -0.345 -13.100 -13.793 1.00 0.00 C ATOM 518 OE1 GLU A 31 -0.277 -12.101 -14.541 1.00 0.00 O ATOM 519 OE2 GLU A 31 -0.245 -14.294 -14.150 1.00 0.00 O ATOM 0 H GLU A 31 1.936 -11.996 -9.514 1.00 0.00 H new ATOM 0 HA GLU A 31 1.997 -12.614 -12.385 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.243 -11.210 -10.926 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.128 -10.818 -12.593 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.258 -13.706 -11.725 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.636 -12.695 -12.113 1.00 0.00 H new ATOM 526 N PHE A 32 2.755 -10.198 -12.861 1.00 0.00 N ATOM 527 CA PHE A 32 3.561 -9.006 -13.063 1.00 0.00 C ATOM 528 C PHE A 32 2.889 -7.779 -12.445 1.00 0.00 C ATOM 529 O PHE A 32 2.058 -7.134 -13.084 1.00 0.00 O ATOM 530 CB PHE A 32 3.684 -8.800 -14.574 1.00 0.00 C ATOM 531 CG PHE A 32 4.292 -9.991 -15.318 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.638 -10.185 -15.305 1.00 0.00 C ATOM 533 CD2 PHE A 32 3.487 -10.855 -15.991 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.203 -11.290 -15.995 1.00 0.00 C ATOM 535 CE2 PHE A 32 4.051 -11.961 -16.681 1.00 0.00 C ATOM 536 CZ PHE A 32 5.397 -12.155 -16.669 1.00 0.00 C ATOM 0 H PHE A 32 2.382 -10.611 -13.716 1.00 0.00 H new ATOM 0 HA PHE A 32 4.535 -9.130 -12.589 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.695 -8.595 -14.984 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.296 -7.917 -14.761 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.277 -9.499 -14.770 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.418 -10.700 -16.001 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.272 -11.444 -15.985 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.411 -12.648 -17.215 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.826 -12.995 -17.194 1.00 0.00 H new ATOM 546 N LEU A 33 3.274 -7.491 -11.211 1.00 0.00 N ATOM 547 CA LEU A 33 2.719 -6.352 -10.500 1.00 0.00 C ATOM 548 C LEU A 33 3.800 -5.282 -10.338 1.00 0.00 C ATOM 549 O LEU A 33 4.915 -5.580 -9.913 1.00 0.00 O ATOM 550 CB LEU A 33 2.093 -6.799 -9.177 1.00 0.00 C ATOM 551 CG LEU A 33 0.565 -6.772 -9.115 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.046 -7.383 -10.378 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.055 -7.453 -7.844 1.00 0.00 C ATOM 0 H LEU A 33 3.964 -8.027 -10.685 1.00 0.00 H new ATOM 0 HA LEU A 33 1.908 -5.903 -11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.428 -7.814 -8.964 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.480 -6.163 -8.381 1.00 0.00 H new ATOM 0 HG LEU A 33 0.244 -5.731 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.133 -7.351 -10.308 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.278 -6.815 -11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.281 -8.418 -10.476 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.034 -7.420 -7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.387 -8.491 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.449 -6.934 -6.970 1.00 0.00 H new ATOM 565 N PRO A 34 3.422 -4.025 -10.693 1.00 0.00 N ATOM 566 CA PRO A 34 4.347 -2.908 -10.591 1.00 0.00 C ATOM 567 C PRO A 34 4.529 -2.478 -9.134 1.00 0.00 C ATOM 568 O PRO A 34 3.656 -1.828 -8.561 1.00 0.00 O ATOM 569 CB PRO A 34 3.743 -1.817 -11.461 1.00 0.00 C ATOM 570 CG PRO A 34 2.281 -2.191 -11.644 1.00 0.00 C ATOM 571 CD PRO A 34 2.110 -3.634 -11.200 1.00 0.00 C ATOM 0 HA PRO A 34 5.351 -3.161 -10.931 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.840 -0.841 -10.986 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.254 -1.756 -12.422 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.642 -1.532 -11.056 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.985 -2.075 -12.687 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.345 -3.723 -10.429 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.801 -4.269 -12.030 1.00 0.00 H new ATOM 579 N ALA A 35 5.669 -2.859 -8.577 1.00 0.00 N ATOM 580 CA ALA A 35 5.977 -2.522 -7.198 1.00 0.00 C ATOM 581 C ALA A 35 7.190 -1.589 -7.164 1.00 0.00 C ATOM 582 O ALA A 35 8.293 -1.987 -7.534 1.00 0.00 O ATOM 583 CB ALA A 35 6.206 -3.805 -6.396 1.00 0.00 C ATOM 0 H ALA A 35 6.391 -3.398 -9.056 1.00 0.00 H new ATOM 0 HA ALA A 35 5.142 -1.995 -6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.437 -3.551 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.306 -4.419 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.039 -4.360 -6.828 1.00 0.00 H new ATOM 589 N PRO A 36 6.938 -0.334 -6.705 1.00 0.00 N ATOM 590 CA PRO A 36 7.996 0.657 -6.618 1.00 0.00 C ATOM 591 C PRO A 36 8.920 0.372 -5.432 1.00 0.00 C ATOM 592 O PRO A 36 8.456 0.217 -4.303 1.00 0.00 O ATOM 593 CB PRO A 36 7.276 1.991 -6.503 1.00 0.00 C ATOM 594 CG PRO A 36 5.859 1.664 -6.062 1.00 0.00 C ATOM 595 CD PRO A 36 5.643 0.172 -6.258 1.00 0.00 C ATOM 0 HA PRO A 36 8.654 0.647 -7.487 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.770 2.640 -5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.276 2.518 -7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.712 1.937 -5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.136 2.234 -6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.329 -0.308 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.865 -0.022 -6.997 1.00 0.00 H new ATOM 603 N GLU A 37 10.209 0.311 -5.729 1.00 0.00 N ATOM 604 CA GLU A 37 11.202 0.046 -4.701 1.00 0.00 C ATOM 605 C GLU A 37 12.134 1.249 -4.541 1.00 0.00 C ATOM 606 O GLU A 37 12.828 1.631 -5.483 1.00 0.00 O ATOM 607 CB GLU A 37 11.995 -1.223 -5.018 1.00 0.00 C ATOM 608 CG GLU A 37 12.955 -1.569 -3.879 1.00 0.00 C ATOM 609 CD GLU A 37 14.231 -2.222 -4.416 1.00 0.00 C ATOM 610 OE1 GLU A 37 14.883 -1.578 -5.265 1.00 0.00 O ATOM 611 OE2 GLU A 37 14.524 -3.350 -3.964 1.00 0.00 O ATOM 0 H GLU A 37 10.589 0.440 -6.666 1.00 0.00 H new ATOM 0 HA GLU A 37 10.683 -0.116 -3.756 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.308 -2.053 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.556 -1.084 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.210 -0.665 -3.326 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.464 -2.244 -3.178 1.00 0.00 H new ATOM 618 N ASP A 38 12.120 1.813 -3.342 1.00 0.00 N ATOM 619 CA ASP A 38 12.955 2.965 -3.047 1.00 0.00 C ATOM 620 C ASP A 38 12.321 4.218 -3.653 1.00 0.00 C ATOM 621 O ASP A 38 13.022 5.079 -4.183 1.00 0.00 O ATOM 622 CB ASP A 38 14.351 2.802 -3.651 1.00 0.00 C ATOM 623 CG ASP A 38 15.447 3.634 -2.982 1.00 0.00 C ATOM 624 OD1 ASP A 38 15.646 4.781 -3.436 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.060 3.103 -2.030 1.00 0.00 O ATOM 0 H ASP A 38 11.544 1.494 -2.564 1.00 0.00 H new ATOM 0 HA ASP A 38 13.039 3.052 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.632 1.750 -3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.307 3.069 -4.707 1.00 0.00 H new ATOM 630 N VAL A 39 11.001 4.281 -3.555 1.00 0.00 N ATOM 631 CA VAL A 39 10.264 5.415 -4.087 1.00 0.00 C ATOM 632 C VAL A 39 10.961 6.712 -3.669 1.00 0.00 C ATOM 633 O VAL A 39 11.639 6.754 -2.644 1.00 0.00 O ATOM 634 CB VAL A 39 8.804 5.349 -3.635 1.00 0.00 C ATOM 635 CG1 VAL A 39 7.910 4.799 -4.748 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.663 4.519 -2.358 1.00 0.00 C ATOM 0 H VAL A 39 10.423 3.565 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 39 10.255 5.387 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 39 8.476 6.364 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.877 4.762 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.976 5.447 -5.622 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.238 3.795 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.616 4.488 -2.058 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.018 3.505 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.255 4.972 -1.563 1.00 0.00 H new ATOM 646 N GLU A 40 10.771 7.738 -4.486 1.00 0.00 N ATOM 647 CA GLU A 40 11.372 9.032 -4.214 1.00 0.00 C ATOM 648 C GLU A 40 10.963 9.527 -2.825 1.00 0.00 C ATOM 649 O GLU A 40 10.033 8.994 -2.222 1.00 0.00 O ATOM 650 CB GLU A 40 10.994 10.050 -5.292 1.00 0.00 C ATOM 651 CG GLU A 40 11.664 11.400 -5.031 1.00 0.00 C ATOM 652 CD GLU A 40 11.556 12.312 -6.255 1.00 0.00 C ATOM 653 OE1 GLU A 40 12.416 12.163 -7.150 1.00 0.00 O ATOM 654 OE2 GLU A 40 10.617 13.136 -6.267 1.00 0.00 O ATOM 0 H GLU A 40 10.209 7.699 -5.336 1.00 0.00 H new ATOM 0 HA GLU A 40 12.456 8.918 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.292 9.675 -6.271 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.912 10.176 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.197 11.882 -4.172 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.713 11.246 -4.779 1.00 0.00 H new ATOM 661 N THR A 41 11.677 10.540 -2.359 1.00 0.00 N ATOM 662 CA THR A 41 11.400 11.113 -1.053 1.00 0.00 C ATOM 663 C THR A 41 9.898 11.351 -0.883 1.00 0.00 C ATOM 664 O THR A 41 9.304 10.911 0.100 1.00 0.00 O ATOM 665 CB THR A 41 12.237 12.385 -0.907 1.00 0.00 C ATOM 666 OG1 THR A 41 13.438 11.940 -0.281 1.00 0.00 O ATOM 667 CG2 THR A 41 11.636 13.370 0.099 1.00 0.00 C ATOM 0 H THR A 41 12.448 10.979 -2.863 1.00 0.00 H new ATOM 0 HA THR A 41 11.682 10.428 -0.253 1.00 0.00 H new ATOM 0 HB THR A 41 12.331 12.871 -1.878 1.00 0.00 H new ATOM 0 HG1 THR A 41 14.040 12.702 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.269 14.255 0.164 1.00 0.00 H new ATOM 0 HG22 THR A 41 10.638 13.661 -0.229 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.572 12.896 1.079 1.00 0.00 H new ATOM 675 N ASN A 42 9.328 12.047 -1.856 1.00 0.00 N ATOM 676 CA ASN A 42 7.907 12.349 -1.826 1.00 0.00 C ATOM 677 C ASN A 42 7.197 11.544 -2.916 1.00 0.00 C ATOM 678 O ASN A 42 6.470 12.107 -3.734 1.00 0.00 O ATOM 679 CB ASN A 42 7.654 13.834 -2.093 1.00 0.00 C ATOM 680 CG ASN A 42 7.785 14.652 -0.808 1.00 0.00 C ATOM 681 OD1 ASN A 42 8.869 14.890 -0.300 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.624 15.070 -0.311 1.00 0.00 N ATOM 0 H ASN A 42 9.824 12.410 -2.670 1.00 0.00 H new ATOM 0 HA ASN A 42 7.527 12.091 -0.837 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.364 14.200 -2.835 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.657 13.967 -2.513 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.606 15.625 0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.752 14.836 -0.786 1.00 0.00 H new ATOM 689 N CYS A 43 7.431 10.241 -2.893 1.00 0.00 N ATOM 690 CA CYS A 43 6.823 9.353 -3.870 1.00 0.00 C ATOM 691 C CYS A 43 5.955 8.339 -3.122 1.00 0.00 C ATOM 692 O CYS A 43 4.940 7.881 -3.644 1.00 0.00 O ATOM 693 CB CYS A 43 7.874 8.669 -4.745 1.00 0.00 C ATOM 694 SG CYS A 43 7.857 9.175 -6.503 1.00 0.00 S ATOM 0 H CYS A 43 8.034 9.778 -2.213 1.00 0.00 H new ATOM 0 HA CYS A 43 6.199 9.931 -4.552 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.861 8.876 -4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.726 7.591 -4.691 1.00 0.00 H new ATOM 0 HG CYS A 43 8.788 8.536 -7.147 1.00 0.00 H new ATOM 699 N GLU A 44 6.386 8.018 -1.911 1.00 0.00 N ATOM 700 CA GLU A 44 5.661 7.066 -1.086 1.00 0.00 C ATOM 701 C GLU A 44 4.153 7.246 -1.270 1.00 0.00 C ATOM 702 O GLU A 44 3.393 6.285 -1.163 1.00 0.00 O ATOM 703 CB GLU A 44 6.055 7.206 0.386 1.00 0.00 C ATOM 704 CG GLU A 44 7.574 7.138 0.556 1.00 0.00 C ATOM 705 CD GLU A 44 8.105 8.399 1.243 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.563 9.483 0.937 1.00 0.00 O ATOM 707 OE2 GLU A 44 9.041 8.250 2.057 1.00 0.00 O ATOM 0 H GLU A 44 7.228 8.400 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 44 5.928 6.059 -1.405 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.684 8.153 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.584 6.414 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.839 6.260 1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.048 7.023 -0.419 1.00 0.00 H new ATOM 714 N TRP A 45 3.766 8.483 -1.543 1.00 0.00 N ATOM 715 CA TRP A 45 2.362 8.801 -1.742 1.00 0.00 C ATOM 716 C TRP A 45 1.996 8.440 -3.184 1.00 0.00 C ATOM 717 O TRP A 45 1.060 7.678 -3.418 1.00 0.00 O ATOM 718 CB TRP A 45 2.077 10.264 -1.401 1.00 0.00 C ATOM 719 CG TRP A 45 2.145 10.580 0.094 1.00 0.00 C ATOM 720 CD1 TRP A 45 3.119 11.216 0.760 1.00 0.00 C ATOM 721 CD2 TRP A 45 1.155 10.244 1.090 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.830 11.316 2.106 1.00 0.00 N ATOM 723 CE2 TRP A 45 1.598 10.706 2.313 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.073 9.573 0.961 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.874 10.546 3.500 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -0.785 9.422 2.157 1.00 0.00 C ATOM 727 CH2 TRP A 45 -0.353 9.881 3.396 1.00 0.00 C ATOM 0 H TRP A 45 4.400 9.277 -1.631 1.00 0.00 H new ATOM 0 HA TRP A 45 1.735 8.219 -1.067 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.793 10.895 -1.928 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.086 10.526 -1.773 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.017 11.602 0.301 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.413 11.756 2.818 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.438 9.203 0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 1.242 10.916 4.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.737 8.913 2.114 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.962 9.725 4.274 1.00 0.00 H new ATOM 738 N SER A 46 2.753 9.006 -4.112 1.00 0.00 N ATOM 739 CA SER A 46 2.520 8.754 -5.524 1.00 0.00 C ATOM 740 C SER A 46 2.534 7.249 -5.796 1.00 0.00 C ATOM 741 O SER A 46 2.020 6.795 -6.817 1.00 0.00 O ATOM 742 CB SER A 46 3.567 9.460 -6.389 1.00 0.00 C ATOM 743 OG SER A 46 3.016 9.928 -7.617 1.00 0.00 O ATOM 0 H SER A 46 3.528 9.638 -3.914 1.00 0.00 H new ATOM 0 HA SER A 46 1.541 9.155 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.987 10.300 -5.836 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.388 8.774 -6.598 1.00 0.00 H new ATOM 0 HG SER A 46 3.715 10.374 -8.140 1.00 0.00 H new ATOM 749 N ALA A 47 3.127 6.517 -4.865 1.00 0.00 N ATOM 750 CA ALA A 47 3.214 5.072 -4.991 1.00 0.00 C ATOM 751 C ALA A 47 1.907 4.442 -4.505 1.00 0.00 C ATOM 752 O ALA A 47 1.452 3.443 -5.059 1.00 0.00 O ATOM 753 CB ALA A 47 4.431 4.564 -4.215 1.00 0.00 C ATOM 0 H ALA A 47 3.552 6.898 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 47 3.350 4.785 -6.034 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.496 3.480 -4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.336 5.019 -4.619 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.329 4.831 -3.163 1.00 0.00 H new ATOM 759 N PHE A 48 1.341 5.052 -3.474 1.00 0.00 N ATOM 760 CA PHE A 48 0.096 4.564 -2.907 1.00 0.00 C ATOM 761 C PHE A 48 -0.896 4.183 -4.009 1.00 0.00 C ATOM 762 O PHE A 48 -1.517 3.123 -3.951 1.00 0.00 O ATOM 763 CB PHE A 48 -0.496 5.704 -2.077 1.00 0.00 C ATOM 764 CG PHE A 48 -1.612 5.267 -1.125 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.752 4.717 -1.622 1.00 0.00 C ATOM 766 CD2 PHE A 48 -1.464 5.430 0.217 1.00 0.00 C ATOM 767 CE1 PHE A 48 -3.788 4.312 -0.740 1.00 0.00 C ATOM 768 CE2 PHE A 48 -2.500 5.024 1.099 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.640 4.474 0.603 1.00 0.00 C ATOM 0 H PHE A 48 1.722 5.880 -3.017 1.00 0.00 H new ATOM 0 HA PHE A 48 0.286 3.677 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.301 6.169 -1.497 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.886 6.466 -2.752 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.869 4.588 -2.688 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.559 5.868 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.693 3.875 -1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.382 5.152 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.428 4.166 1.274 1.00 0.00 H new ATOM 779 N SER A 49 -1.015 5.070 -4.986 1.00 0.00 N ATOM 780 CA SER A 49 -1.921 4.841 -6.099 1.00 0.00 C ATOM 781 C SER A 49 -1.383 3.718 -6.988 1.00 0.00 C ATOM 782 O SER A 49 -2.143 2.866 -7.445 1.00 0.00 O ATOM 783 CB SER A 49 -2.121 6.117 -6.918 1.00 0.00 C ATOM 784 OG SER A 49 -3.051 7.005 -6.304 1.00 0.00 O ATOM 0 H SER A 49 -0.499 5.949 -5.030 1.00 0.00 H new ATOM 0 HA SER A 49 -2.890 4.545 -5.697 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.163 6.623 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.474 5.856 -7.916 1.00 0.00 H new ATOM 0 HG SER A 49 -3.150 7.808 -6.857 1.00 0.00 H new ATOM 790 N CYS A 50 -0.077 3.754 -7.208 1.00 0.00 N ATOM 791 CA CYS A 50 0.571 2.751 -8.035 1.00 0.00 C ATOM 792 C CYS A 50 0.199 1.369 -7.493 1.00 0.00 C ATOM 793 O CYS A 50 -0.079 0.451 -8.264 1.00 0.00 O ATOM 794 CB CYS A 50 2.087 2.953 -8.087 1.00 0.00 C ATOM 795 SG CYS A 50 2.620 4.641 -8.553 1.00 0.00 S ATOM 0 H CYS A 50 0.550 4.463 -6.827 1.00 0.00 H new ATOM 0 HA CYS A 50 0.222 2.844 -9.064 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.505 2.712 -7.110 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.510 2.244 -8.799 1.00 0.00 H new ATOM 0 HG CYS A 50 2.250 5.482 -7.633 1.00 0.00 H new ATOM 800 N PHE A 51 0.205 1.265 -6.173 1.00 0.00 N ATOM 801 CA PHE A 51 -0.129 0.010 -5.519 1.00 0.00 C ATOM 802 C PHE A 51 -1.555 -0.425 -5.863 1.00 0.00 C ATOM 803 O PHE A 51 -1.870 -1.613 -5.831 1.00 0.00 O ATOM 804 CB PHE A 51 -0.032 0.251 -4.012 1.00 0.00 C ATOM 805 CG PHE A 51 1.376 0.067 -3.442 1.00 0.00 C ATOM 806 CD1 PHE A 51 1.866 -1.183 -3.230 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.138 1.155 -3.147 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.173 -1.354 -2.702 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.445 0.984 -2.618 1.00 0.00 C ATOM 810 CZ PHE A 51 3.935 -0.267 -2.407 1.00 0.00 C ATOM 0 H PHE A 51 0.436 2.029 -5.538 1.00 0.00 H new ATOM 0 HA PHE A 51 0.552 -0.774 -5.850 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.372 1.263 -3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.712 -0.431 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.261 -2.047 -3.463 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.749 2.148 -3.315 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.562 -2.348 -2.535 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.050 1.847 -2.383 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.929 -0.397 -2.005 1.00 0.00 H new ATOM 820 N GLN A 52 -2.379 0.562 -6.185 1.00 0.00 N ATOM 821 CA GLN A 52 -3.764 0.296 -6.534 1.00 0.00 C ATOM 822 C GLN A 52 -3.848 -0.341 -7.922 1.00 0.00 C ATOM 823 O GLN A 52 -4.516 -1.359 -8.103 1.00 0.00 O ATOM 824 CB GLN A 52 -4.602 1.575 -6.466 1.00 0.00 C ATOM 825 CG GLN A 52 -4.364 2.317 -5.149 1.00 0.00 C ATOM 826 CD GLN A 52 -4.799 1.465 -3.954 1.00 0.00 C ATOM 827 OE1 GLN A 52 -5.321 0.372 -4.095 1.00 0.00 O ATOM 828 NE2 GLN A 52 -4.554 2.026 -2.773 1.00 0.00 N ATOM 0 H GLN A 52 -2.114 1.547 -6.211 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.173 -0.406 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.350 2.224 -7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.659 1.327 -6.562 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.308 2.569 -5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.917 3.256 -5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.114 2.945 -2.726 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.806 1.537 -1.914 1.00 0.00 H new ATOM 837 N LYS A 53 -3.162 0.284 -8.868 1.00 0.00 N ATOM 838 CA LYS A 53 -3.151 -0.210 -10.235 1.00 0.00 C ATOM 839 C LYS A 53 -2.747 -1.686 -10.236 1.00 0.00 C ATOM 840 O LYS A 53 -3.370 -2.503 -10.912 1.00 0.00 O ATOM 841 CB LYS A 53 -2.263 0.671 -11.115 1.00 0.00 C ATOM 842 CG LYS A 53 -1.857 -0.064 -12.394 1.00 0.00 C ATOM 843 CD LYS A 53 -3.020 -0.123 -13.386 1.00 0.00 C ATOM 844 CE LYS A 53 -2.522 -0.435 -14.798 1.00 0.00 C ATOM 845 NZ LYS A 53 -3.364 -1.478 -15.426 1.00 0.00 N ATOM 0 H LYS A 53 -2.610 1.128 -8.715 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.149 -0.152 -10.669 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.794 1.588 -11.371 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.371 0.963 -10.561 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.008 0.441 -12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.532 -1.075 -12.149 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.733 -0.885 -13.071 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.551 0.829 -13.386 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.541 0.470 -15.405 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.486 -0.771 -14.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.012 -1.678 -16.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.325 -2.346 -14.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.347 -1.144 -15.481 1.00 0.00 H new ATOM 859 N ALA A 54 -1.706 -1.982 -9.471 1.00 0.00 N ATOM 860 CA ALA A 54 -1.212 -3.345 -9.376 1.00 0.00 C ATOM 861 C ALA A 54 -2.398 -4.310 -9.310 1.00 0.00 C ATOM 862 O ALA A 54 -2.555 -5.166 -10.179 1.00 0.00 O ATOM 863 CB ALA A 54 -0.290 -3.470 -8.161 1.00 0.00 C ATOM 0 H ALA A 54 -1.192 -1.302 -8.912 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.626 -3.603 -10.258 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.081 -4.492 -8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.551 -2.786 -8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.845 -3.221 -7.256 1.00 0.00 H new ATOM 869 N GLN A 55 -3.202 -4.139 -8.271 1.00 0.00 N ATOM 870 CA GLN A 55 -4.369 -4.983 -8.081 1.00 0.00 C ATOM 871 C GLN A 55 -3.940 -6.419 -7.772 1.00 0.00 C ATOM 872 O GLN A 55 -3.651 -7.194 -8.682 1.00 0.00 O ATOM 873 CB GLN A 55 -5.285 -4.936 -9.305 1.00 0.00 C ATOM 874 CG GLN A 55 -6.608 -5.653 -9.027 1.00 0.00 C ATOM 875 CD GLN A 55 -7.545 -5.561 -10.233 1.00 0.00 C ATOM 876 OE1 GLN A 55 -7.817 -4.495 -10.761 1.00 0.00 O ATOM 877 NE2 GLN A 55 -8.023 -6.734 -10.638 1.00 0.00 N ATOM 0 H GLN A 55 -3.068 -3.428 -7.552 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.934 -4.602 -7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.480 -3.899 -9.579 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.786 -5.402 -10.155 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.416 -6.699 -8.790 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.089 -5.212 -8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.755 -7.589 -10.151 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.658 -6.778 -11.435 1.00 0.00 H new ATOM 886 N LEU A 56 -3.911 -6.730 -6.484 1.00 0.00 N ATOM 887 CA LEU A 56 -3.522 -8.059 -6.044 1.00 0.00 C ATOM 888 C LEU A 56 -4.654 -9.044 -6.346 1.00 0.00 C ATOM 889 O LEU A 56 -5.827 -8.672 -6.329 1.00 0.00 O ATOM 890 CB LEU A 56 -3.105 -8.036 -4.572 1.00 0.00 C ATOM 891 CG LEU A 56 -2.733 -9.387 -3.958 1.00 0.00 C ATOM 892 CD1 LEU A 56 -3.973 -10.263 -3.769 1.00 0.00 C ATOM 893 CD2 LEU A 56 -1.657 -10.089 -4.789 1.00 0.00 C ATOM 0 H LEU A 56 -4.151 -6.085 -5.731 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.646 -8.400 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.253 -7.365 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.921 -7.608 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.311 -9.208 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.681 -11.217 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.676 -9.760 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.446 -10.437 -4.735 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.411 -11.047 -4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.029 -10.255 -5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.764 -9.466 -4.829 1.00 0.00 H new ATOM 905 N LYS A 57 -4.263 -10.281 -6.616 1.00 0.00 N ATOM 906 CA LYS A 57 -5.230 -11.321 -6.922 1.00 0.00 C ATOM 907 C LYS A 57 -4.790 -12.630 -6.264 1.00 0.00 C ATOM 908 O LYS A 57 -3.600 -12.845 -6.037 1.00 0.00 O ATOM 909 CB LYS A 57 -5.438 -11.432 -8.434 1.00 0.00 C ATOM 910 CG LYS A 57 -6.889 -11.789 -8.764 1.00 0.00 C ATOM 911 CD LYS A 57 -7.826 -10.620 -8.453 1.00 0.00 C ATOM 912 CE LYS A 57 -9.190 -10.819 -9.116 1.00 0.00 C ATOM 913 NZ LYS A 57 -10.175 -9.858 -8.574 1.00 0.00 N ATOM 0 H LYS A 57 -3.290 -10.586 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.206 -11.068 -6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.175 -10.488 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.771 -12.192 -8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.971 -12.055 -9.818 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.191 -12.665 -8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.952 -10.528 -7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.380 -9.689 -8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.100 -10.687 -10.194 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.537 -11.838 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.060 -9.926 -9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.362 -10.079 -7.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.796 -8.893 -8.650 1.00 0.00 H new ATOM 927 N SER A 58 -5.773 -13.470 -5.976 1.00 0.00 N ATOM 928 CA SER A 58 -5.501 -14.753 -5.349 1.00 0.00 C ATOM 929 C SER A 58 -5.330 -15.833 -6.418 1.00 0.00 C ATOM 930 O SER A 58 -5.864 -15.711 -7.520 1.00 0.00 O ATOM 931 CB SER A 58 -6.620 -15.139 -4.379 1.00 0.00 C ATOM 932 OG SER A 58 -6.698 -16.549 -4.188 1.00 0.00 O ATOM 0 H SER A 58 -6.759 -13.288 -6.165 1.00 0.00 H new ATOM 0 HA SER A 58 -4.576 -14.666 -4.779 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.451 -14.652 -3.419 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.573 -14.771 -4.760 1.00 0.00 H new ATOM 0 HG SER A 58 -5.949 -16.845 -3.630 1.00 0.00 H new ATOM 938 N ALA A 59 -4.583 -16.866 -6.057 1.00 0.00 N ATOM 939 CA ALA A 59 -4.334 -17.967 -6.972 1.00 0.00 C ATOM 940 C ALA A 59 -5.599 -18.242 -7.787 1.00 0.00 C ATOM 941 O ALA A 59 -5.520 -18.660 -8.941 1.00 0.00 O ATOM 942 CB ALA A 59 -3.872 -19.193 -6.182 1.00 0.00 C ATOM 0 H ALA A 59 -4.142 -16.964 -5.143 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.539 -17.712 -7.672 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.685 -20.019 -6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.955 -18.954 -5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.646 -19.480 -5.471 1.00 0.00 H new ATOM 948 N ASN A 60 -6.738 -17.995 -7.155 1.00 0.00 N ATOM 949 CA ASN A 60 -8.018 -18.211 -7.808 1.00 0.00 C ATOM 950 C ASN A 60 -8.341 -19.706 -7.806 1.00 0.00 C ATOM 951 O ASN A 60 -8.926 -20.220 -8.758 1.00 0.00 O ATOM 952 CB ASN A 60 -7.981 -17.738 -9.263 1.00 0.00 C ATOM 953 CG ASN A 60 -9.155 -16.805 -9.565 1.00 0.00 C ATOM 954 OD1 ASN A 60 -10.313 -17.141 -9.379 1.00 0.00 O ATOM 955 ND2 ASN A 60 -8.794 -15.617 -10.041 1.00 0.00 N ATOM 0 H ASN A 60 -6.801 -17.648 -6.198 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.774 -17.645 -7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.041 -17.221 -9.457 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.015 -18.599 -9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.505 -14.924 -10.274 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.806 -15.399 -10.173 1.00 0.00 H new ATOM 997 N ASN A 64 -8.027 -19.185 0.277 1.00 0.00 N ATOM 998 CA ASN A 64 -8.253 -17.829 0.746 1.00 0.00 C ATOM 999 C ASN A 64 -8.313 -16.882 -0.454 1.00 0.00 C ATOM 1000 O ASN A 64 -7.529 -15.938 -0.545 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.116 -17.364 1.658 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.542 -18.535 2.458 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.168 -19.567 2.634 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.318 -18.318 2.932 1.00 0.00 N ATOM 0 HA ASN A 64 -9.190 -17.817 1.303 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.328 -16.907 1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.483 -16.597 2.341 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.848 -19.039 3.479 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.850 -17.431 2.748 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.251 -17.167 -1.346 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.423 -16.353 -2.537 1.00 0.00 C ATOM 1013 C GLU A 65 -10.356 -15.176 -2.245 1.00 0.00 C ATOM 1014 O GLU A 65 -9.938 -14.021 -2.293 1.00 0.00 O ATOM 1015 CB GLU A 65 -9.947 -17.192 -3.704 1.00 0.00 C ATOM 1016 CG GLU A 65 -9.691 -16.493 -5.041 1.00 0.00 C ATOM 1017 CD GLU A 65 -10.365 -15.121 -5.080 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -11.541 -15.078 -5.502 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -9.689 -14.145 -4.686 1.00 0.00 O ATOM 0 H GLU A 65 -9.900 -17.950 -1.267 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.450 -15.957 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.462 -18.168 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.016 -17.367 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.618 -16.380 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.068 -17.111 -5.856 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.604 -15.511 -1.949 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.600 -14.497 -1.649 1.00 0.00 C ATOM 1028 C ARG A 66 -12.142 -13.635 -0.471 1.00 0.00 C ATOM 1029 O ARG A 66 -12.249 -12.410 -0.515 1.00 0.00 O ATOM 1030 CB ARG A 66 -13.950 -15.133 -1.312 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.007 -14.062 -1.037 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.378 -13.315 -2.319 1.00 0.00 C ATOM 1033 NE ARG A 66 -16.000 -12.014 -1.985 1.00 0.00 N ATOM 1034 CZ ARG A 66 -16.705 -11.274 -2.852 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -16.881 -11.701 -4.109 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -17.234 -10.107 -2.460 1.00 0.00 N ATOM 0 H ARG A 66 -11.948 -16.471 -1.911 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.716 -13.874 -2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.274 -15.766 -2.138 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.845 -15.778 -0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.897 -14.525 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.630 -13.356 -0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.488 -13.156 -2.928 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.067 -13.915 -2.913 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.885 -11.659 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.478 -12.590 -4.407 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.418 -11.138 -4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.100 -9.782 -1.502 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -17.771 -9.543 -3.119 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.641 -14.308 0.554 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.167 -13.619 1.742 1.00 0.00 C ATOM 1052 C ILE A 67 -10.079 -12.618 1.345 1.00 0.00 C ATOM 1053 O ILE A 67 -9.771 -11.699 2.102 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.718 -14.626 2.803 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.717 -13.992 4.195 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.358 -15.229 2.446 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -12.057 -13.316 4.491 1.00 0.00 C ATOM 0 H ILE A 67 -11.553 -15.324 0.586 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.975 -13.049 2.199 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.437 -15.445 2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -10.517 -14.756 4.946 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.913 -13.259 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.062 -15.941 3.216 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.428 -15.741 1.486 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.614 -14.435 2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -12.029 -12.873 5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -12.242 -12.536 3.752 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.856 -14.056 4.445 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.529 -12.831 0.159 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.482 -11.959 -0.347 1.00 0.00 C ATOM 1071 C ILE A 68 -9.120 -10.780 -1.086 1.00 0.00 C ATOM 1072 O ILE A 68 -8.669 -9.643 -0.954 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.488 -12.752 -1.197 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.114 -12.805 -0.527 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.412 -12.192 -2.619 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -5.983 -14.044 0.360 1.00 0.00 C ATOM 0 H ILE A 68 -9.788 -13.594 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.901 -11.544 0.476 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.848 -13.778 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.334 -12.815 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.963 -11.907 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.698 -12.774 -3.202 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.395 -12.251 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.089 -11.152 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.997 -14.057 0.824 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.749 -14.019 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.110 -14.941 -0.246 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.158 -11.092 -1.848 1.00 0.00 N ATOM 1089 CA ASN A 69 -10.862 -10.073 -2.608 1.00 0.00 C ATOM 1090 C ASN A 69 -11.349 -8.979 -1.656 1.00 0.00 C ATOM 1091 O ASN A 69 -11.547 -7.837 -2.067 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.083 -10.661 -3.318 1.00 0.00 C ATOM 1093 CG ASN A 69 -12.126 -10.226 -4.784 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -11.113 -10.108 -5.454 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -13.353 -9.995 -5.244 1.00 0.00 N ATOM 0 H ASN A 69 -10.529 -12.036 -1.955 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.173 -9.669 -3.350 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.054 -11.749 -3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.993 -10.338 -2.812 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.488 -9.700 -6.211 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.159 -10.113 -4.630 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.529 -9.367 -0.402 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.990 -8.434 0.612 1.00 0.00 C ATOM 1104 C VAL A 70 -10.902 -7.389 0.869 1.00 0.00 C ATOM 1105 O VAL A 70 -11.203 -6.225 1.131 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.401 -9.193 1.875 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -13.247 -10.419 1.527 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -11.174 -9.589 2.699 1.00 0.00 C ATOM 0 H VAL A 70 -11.364 -10.315 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.877 -7.902 0.267 1.00 0.00 H new ATOM 0 HB VAL A 70 -13.013 -8.526 2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.526 -10.941 2.443 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.148 -10.102 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.671 -11.089 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.493 -10.127 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.526 -10.230 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.628 -8.692 2.992 1.00 0.00 H new ATOM 1118 N SER A 71 -9.660 -7.842 0.786 1.00 0.00 N ATOM 1119 CA SER A 71 -8.526 -6.961 1.006 1.00 0.00 C ATOM 1120 C SER A 71 -8.367 -6.005 -0.178 1.00 0.00 C ATOM 1121 O SER A 71 -7.610 -5.039 -0.103 1.00 0.00 O ATOM 1122 CB SER A 71 -7.239 -7.762 1.217 1.00 0.00 C ATOM 1123 OG SER A 71 -7.307 -8.584 2.379 1.00 0.00 O ATOM 0 H SER A 71 -9.414 -8.808 0.569 1.00 0.00 H new ATOM 0 HA SER A 71 -8.714 -6.381 1.910 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.052 -8.385 0.342 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.396 -7.077 1.306 1.00 0.00 H new ATOM 0 HG SER A 71 -7.039 -9.498 2.149 1.00 0.00 H new ATOM 1129 N ILE A 72 -9.095 -6.308 -1.243 1.00 0.00 N ATOM 1130 CA ILE A 72 -9.045 -5.488 -2.442 1.00 0.00 C ATOM 1131 C ILE A 72 -9.802 -4.182 -2.192 1.00 0.00 C ATOM 1132 O ILE A 72 -9.305 -3.102 -2.509 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.556 -6.274 -3.651 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -8.927 -7.667 -3.704 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.331 -5.493 -4.947 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -7.434 -7.583 -4.030 1.00 0.00 C ATOM 0 H ILE A 72 -9.723 -7.110 -1.301 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.015 -5.220 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.632 -6.411 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.066 -8.169 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.434 -8.270 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.703 -6.074 -5.791 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.864 -4.544 -4.897 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.265 -5.304 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.011 -8.587 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.300 -7.102 -4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.926 -7.000 -3.262 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.991 -4.323 -1.627 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.822 -3.168 -1.332 1.00 0.00 C ATOM 1150 C LYS A 73 -10.990 -2.125 -0.582 1.00 0.00 C ATOM 1151 O LYS A 73 -10.773 -1.023 -1.083 1.00 0.00 O ATOM 1152 CB LYS A 73 -13.088 -3.595 -0.587 1.00 0.00 C ATOM 1153 CG LYS A 73 -14.217 -3.920 -1.567 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.264 -2.804 -1.587 1.00 0.00 C ATOM 1155 CE LYS A 73 -16.511 -3.207 -0.798 1.00 0.00 C ATOM 1156 NZ LYS A 73 -17.512 -2.117 -0.820 1.00 0.00 N ATOM 0 H LYS A 73 -11.400 -5.220 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.165 -2.700 -2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.874 -4.468 0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.404 -2.798 0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.807 -4.057 -2.568 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.689 -4.861 -1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.839 -1.894 -1.163 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.539 -2.577 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.942 -4.113 -1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.238 -3.438 0.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.352 -2.406 -0.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.103 -1.262 -0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.785 -1.916 -1.803 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.546 -2.511 0.605 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.743 -1.623 1.428 1.00 0.00 C ATOM 1172 C LYS A 74 -8.511 -1.178 0.638 1.00 0.00 C ATOM 1173 O LYS A 74 -8.242 0.017 0.521 1.00 0.00 O ATOM 1174 CB LYS A 74 -9.409 -2.288 2.765 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.582 -1.305 3.925 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.875 -1.586 4.693 1.00 0.00 C ATOM 1177 CE LYS A 74 -11.852 -0.415 4.568 1.00 0.00 C ATOM 1178 NZ LYS A 74 -13.248 -0.888 4.700 1.00 0.00 N ATOM 0 H LYS A 74 -10.727 -3.427 1.016 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.305 -0.723 1.677 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.055 -3.152 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.383 -2.656 2.746 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.730 -1.380 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.596 -0.284 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.340 -2.495 4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.647 -1.763 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.639 0.327 5.337 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.718 0.077 3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.898 -0.081 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.453 -1.580 3.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.376 -1.337 5.629 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.795 -2.163 0.115 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.598 -1.887 -0.661 1.00 0.00 C ATOM 1194 C LEU A 75 -6.842 -0.668 -1.552 1.00 0.00 C ATOM 1195 O LEU A 75 -6.007 0.233 -1.619 1.00 0.00 O ATOM 1196 CB LEU A 75 -6.160 -3.134 -1.432 1.00 0.00 C ATOM 1197 CG LEU A 75 -5.065 -2.926 -2.479 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.703 -3.376 -1.946 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.423 -3.621 -3.794 1.00 0.00 C ATOM 0 H LEU A 75 -8.021 -3.153 0.213 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.766 -1.639 -0.002 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.812 -3.877 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.034 -3.555 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.993 -1.859 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.943 -3.217 -2.711 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.451 -2.797 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.744 -4.435 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.627 -3.457 -4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.541 -4.691 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.357 -3.211 -4.180 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.990 -0.678 -2.213 1.00 0.00 N ATOM 1212 CA LYS A 76 -8.354 0.416 -3.097 1.00 0.00 C ATOM 1213 C LYS A 76 -8.840 1.601 -2.261 1.00 0.00 C ATOM 1214 O LYS A 76 -9.961 2.074 -2.441 1.00 0.00 O ATOM 1215 CB LYS A 76 -9.366 -0.055 -4.143 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.682 -0.876 -5.238 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.151 -0.437 -6.627 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.461 -1.649 -7.509 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.360 -1.264 -8.620 1.00 0.00 N ATOM 0 H LYS A 76 -8.680 -1.427 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.485 0.757 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.138 -0.656 -3.662 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.863 0.807 -4.587 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.601 -0.761 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.901 -1.934 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.040 0.187 -6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.381 0.173 -7.099 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.535 -2.062 -7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.927 -2.432 -6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.561 -2.097 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.250 -0.891 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.902 -0.533 -9.200 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.972 2.047 -1.364 1.00 0.00 N ATOM 1234 CA ARG A 77 -8.299 3.168 -0.500 1.00 0.00 C ATOM 1235 C ARG A 77 -7.860 4.483 -1.147 1.00 0.00 C ATOM 1236 O ARG A 77 -7.017 4.487 -2.043 1.00 0.00 O ATOM 1237 CB ARG A 77 -7.621 3.028 0.864 1.00 0.00 C ATOM 1238 CG ARG A 77 -8.658 2.925 1.984 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.476 4.049 3.006 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.526 5.076 2.822 1.00 0.00 N ATOM 1241 CZ ARG A 77 -10.764 4.983 3.326 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -11.114 3.910 4.049 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -11.652 5.963 3.108 1.00 0.00 N ATOM 0 H ARG A 77 -7.043 1.652 -1.217 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.380 3.172 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.986 2.142 0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.973 3.886 1.042 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.661 2.973 1.561 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.567 1.959 2.481 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.525 3.644 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.490 4.500 2.891 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.293 5.906 2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.438 3.165 4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.056 3.839 4.433 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.385 6.780 2.558 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.594 5.892 3.492 1.00 0.00 H new ATOM 1257 N LYS A 78 -8.451 5.568 -0.668 1.00 0.00 N ATOM 1258 CA LYS A 78 -8.131 6.886 -1.188 1.00 0.00 C ATOM 1259 C LYS A 78 -6.983 7.487 -0.374 1.00 0.00 C ATOM 1260 O LYS A 78 -6.997 7.438 0.855 1.00 0.00 O ATOM 1261 CB LYS A 78 -9.383 7.765 -1.227 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.020 9.225 -1.504 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.637 10.152 -0.455 1.00 0.00 C ATOM 1264 CE LYS A 78 -10.878 10.856 -1.008 1.00 0.00 C ATOM 1265 NZ LYS A 78 -12.043 10.623 -0.125 1.00 0.00 N ATOM 0 H LYS A 78 -9.150 5.561 0.075 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.787 6.815 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.062 7.403 -1.999 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.912 7.692 -0.277 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.936 9.340 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.371 9.509 -2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.905 9.577 0.431 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.902 10.894 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.688 11.926 -1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.095 10.489 -2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.877 11.108 -0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.233 9.602 -0.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.839 10.995 0.824 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.991 8.054 -1.111 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.838 8.663 -0.471 1.00 0.00 C ATOM 1281 C PRO A 79 -5.203 10.016 0.143 1.00 0.00 C ATOM 1282 O PRO A 79 -5.514 10.964 -0.577 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.791 8.771 -1.567 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.547 8.650 -2.880 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.941 8.130 -2.569 1.00 0.00 C ATOM 0 HA PRO A 79 -4.461 8.074 0.365 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.261 9.721 -1.508 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.044 7.983 -1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.603 9.618 -3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.029 7.972 -3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.709 8.799 -2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.110 7.153 -3.023 1.00 0.00 H new ATOM 1628 N LYS A 102 8.562 -4.980 -12.387 1.00 0.00 N ATOM 1629 CA LYS A 102 7.454 -5.656 -11.734 1.00 0.00 C ATOM 1630 C LYS A 102 7.993 -6.525 -10.596 1.00 0.00 C ATOM 1631 O LYS A 102 9.203 -6.703 -10.465 1.00 0.00 O ATOM 1632 CB LYS A 102 6.620 -6.430 -12.757 1.00 0.00 C ATOM 1633 CG LYS A 102 5.646 -5.501 -13.485 1.00 0.00 C ATOM 1634 CD LYS A 102 6.396 -4.520 -14.389 1.00 0.00 C ATOM 1635 CE LYS A 102 6.698 -3.215 -13.650 1.00 0.00 C ATOM 1636 NZ LYS A 102 6.203 -2.055 -14.424 1.00 0.00 N ATOM 0 HA LYS A 102 6.774 -4.930 -11.288 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.279 -6.911 -13.480 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.066 -7.223 -12.255 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.951 -6.092 -14.081 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.052 -4.949 -12.757 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.327 -4.973 -14.730 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.800 -4.310 -15.277 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.229 -3.230 -12.666 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.772 -3.121 -13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.416 -1.177 -13.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.670 -2.033 -15.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.175 -2.139 -14.555 1.00 0.00 H new ATOM 1650 N LYS A 103 7.068 -7.044 -9.802 1.00 0.00 N ATOM 1651 CA LYS A 103 7.434 -7.890 -8.679 1.00 0.00 C ATOM 1652 C LYS A 103 6.268 -8.823 -8.346 1.00 0.00 C ATOM 1653 O LYS A 103 5.167 -8.658 -8.871 1.00 0.00 O ATOM 1654 CB LYS A 103 7.898 -7.039 -7.495 1.00 0.00 C ATOM 1655 CG LYS A 103 9.414 -7.137 -7.310 1.00 0.00 C ATOM 1656 CD LYS A 103 9.950 -5.931 -6.536 1.00 0.00 C ATOM 1657 CE LYS A 103 10.367 -4.809 -7.490 1.00 0.00 C ATOM 1658 NZ LYS A 103 11.842 -4.724 -7.577 1.00 0.00 N ATOM 0 H LYS A 103 6.065 -6.895 -9.914 1.00 0.00 H new ATOM 0 HA LYS A 103 8.283 -8.522 -8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.614 -5.999 -7.657 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.395 -7.369 -6.586 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.660 -8.055 -6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.900 -7.194 -8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.186 -5.565 -5.851 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.804 -6.234 -5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.948 -4.991 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.962 -3.859 -7.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.113 -4.327 -8.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.200 -4.111 -6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.251 -5.675 -7.476 1.00 0.00 H new ATOM 1672 N PRO A 104 6.556 -9.808 -7.454 1.00 0.00 N ATOM 1673 CA PRO A 104 5.543 -10.767 -7.045 1.00 0.00 C ATOM 1674 C PRO A 104 4.546 -10.131 -6.075 1.00 0.00 C ATOM 1675 O PRO A 104 4.725 -8.988 -5.655 1.00 0.00 O ATOM 1676 CB PRO A 104 6.319 -11.919 -6.429 1.00 0.00 C ATOM 1677 CG PRO A 104 7.694 -11.364 -6.094 1.00 0.00 C ATOM 1678 CD PRO A 104 7.847 -10.034 -6.812 1.00 0.00 C ATOM 0 HA PRO A 104 4.933 -11.116 -7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.820 -12.292 -5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.394 -12.755 -7.124 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.800 -11.231 -5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.473 -12.059 -6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.087 -9.232 -6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.653 -10.070 -7.545 1.00 0.00 H new ATOM 1686 N PRO A 105 3.490 -10.919 -5.737 1.00 0.00 N ATOM 1687 CA PRO A 105 2.464 -10.445 -4.824 1.00 0.00 C ATOM 1688 C PRO A 105 2.971 -10.448 -3.381 1.00 0.00 C ATOM 1689 O PRO A 105 2.515 -9.656 -2.557 1.00 0.00 O ATOM 1690 CB PRO A 105 1.283 -11.378 -5.041 1.00 0.00 C ATOM 1691 CG PRO A 105 1.848 -12.614 -5.721 1.00 0.00 C ATOM 1692 CD PRO A 105 3.246 -12.277 -6.215 1.00 0.00 C ATOM 0 HA PRO A 105 2.177 -9.411 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.809 -11.635 -4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.521 -10.906 -5.660 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.881 -13.451 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.212 -12.916 -6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.985 -12.975 -5.820 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.306 -12.331 -7.302 1.00 0.00 H new ATOM 1700 N LYS A 106 3.908 -11.347 -3.118 1.00 0.00 N ATOM 1701 CA LYS A 106 4.483 -11.463 -1.788 1.00 0.00 C ATOM 1702 C LYS A 106 5.169 -10.147 -1.417 1.00 0.00 C ATOM 1703 O LYS A 106 4.806 -9.510 -0.429 1.00 0.00 O ATOM 1704 CB LYS A 106 5.404 -12.681 -1.707 1.00 0.00 C ATOM 1705 CG LYS A 106 5.638 -13.096 -0.253 1.00 0.00 C ATOM 1706 CD LYS A 106 7.131 -13.095 0.084 1.00 0.00 C ATOM 1707 CE LYS A 106 7.531 -14.385 0.804 1.00 0.00 C ATOM 1708 NZ LYS A 106 7.452 -15.539 -0.119 1.00 0.00 N ATOM 0 H LYS A 106 4.284 -12.002 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 106 3.701 -11.634 -1.048 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.964 -13.511 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 106 6.358 -12.452 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.111 -12.413 0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.224 -14.090 -0.084 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.714 -12.989 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.365 -12.236 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.545 -14.292 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.875 -14.550 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.042 -16.315 0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.465 -15.859 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.794 -15.255 -1.059 1.00 0.00 H new ATOM 1722 N GLU A 107 6.149 -9.778 -2.229 1.00 0.00 N ATOM 1723 CA GLU A 107 6.889 -8.549 -1.998 1.00 0.00 C ATOM 1724 C GLU A 107 5.978 -7.336 -2.191 1.00 0.00 C ATOM 1725 O GLU A 107 5.966 -6.426 -1.364 1.00 0.00 O ATOM 1726 CB GLU A 107 8.113 -8.466 -2.913 1.00 0.00 C ATOM 1727 CG GLU A 107 9.409 -8.536 -2.103 1.00 0.00 C ATOM 1728 CD GLU A 107 10.571 -9.028 -2.968 1.00 0.00 C ATOM 1729 OE1 GLU A 107 11.048 -8.217 -3.791 1.00 0.00 O ATOM 1730 OE2 GLU A 107 10.956 -10.203 -2.787 1.00 0.00 O ATOM 0 H GLU A 107 6.448 -10.308 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 107 7.245 -8.551 -0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.087 -9.282 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.085 -7.536 -3.481 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.643 -7.551 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.275 -9.205 -1.253 1.00 0.00 H new ATOM 1737 N PHE A 108 5.236 -7.362 -3.289 1.00 0.00 N ATOM 1738 CA PHE A 108 4.323 -6.275 -3.601 1.00 0.00 C ATOM 1739 C PHE A 108 3.509 -5.872 -2.370 1.00 0.00 C ATOM 1740 O PHE A 108 3.296 -4.686 -2.123 1.00 0.00 O ATOM 1741 CB PHE A 108 3.370 -6.788 -4.683 1.00 0.00 C ATOM 1742 CG PHE A 108 2.175 -5.870 -4.946 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.362 -4.528 -5.070 1.00 0.00 C ATOM 1744 CD2 PHE A 108 0.925 -6.395 -5.055 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.253 -3.676 -5.314 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.184 -5.542 -5.299 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.003 -4.201 -5.423 1.00 0.00 C ATOM 0 H PHE A 108 5.248 -8.118 -3.973 1.00 0.00 H new ATOM 0 HA PHE A 108 4.884 -5.402 -3.934 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.927 -6.918 -5.611 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.002 -7.772 -4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.354 -4.111 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.776 -7.460 -4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.402 -2.611 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.177 -5.959 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.841 -3.553 -5.608 1.00 0.00 H new ATOM 1757 N LEU A 109 3.075 -6.882 -1.630 1.00 0.00 N ATOM 1758 CA LEU A 109 2.289 -6.648 -0.431 1.00 0.00 C ATOM 1759 C LEU A 109 3.224 -6.284 0.724 1.00 0.00 C ATOM 1760 O LEU A 109 2.978 -5.319 1.446 1.00 0.00 O ATOM 1761 CB LEU A 109 1.389 -7.850 -0.137 1.00 0.00 C ATOM 1762 CG LEU A 109 0.047 -7.878 -0.870 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.641 -6.513 -0.806 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.218 -8.366 -2.310 1.00 0.00 C ATOM 0 H LEU A 109 3.253 -7.865 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 109 1.616 -5.803 -0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.936 -8.759 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.195 -7.880 0.935 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.603 -8.591 -0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.593 -6.560 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.817 -6.243 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.004 -5.762 -1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.751 -8.376 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.893 -7.697 -2.843 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.634 -9.373 -2.306 1.00 0.00 H new ATOM 1776 N GLU A 110 4.279 -7.074 0.861 1.00 0.00 N ATOM 1777 CA GLU A 110 5.252 -6.847 1.916 1.00 0.00 C ATOM 1778 C GLU A 110 5.847 -5.442 1.795 1.00 0.00 C ATOM 1779 O GLU A 110 6.353 -4.892 2.772 1.00 0.00 O ATOM 1780 CB GLU A 110 6.350 -7.911 1.887 1.00 0.00 C ATOM 1781 CG GLU A 110 7.033 -8.032 3.252 1.00 0.00 C ATOM 1782 CD GLU A 110 8.396 -8.716 3.124 1.00 0.00 C ATOM 1783 OE1 GLU A 110 9.286 -8.096 2.503 1.00 0.00 O ATOM 1784 OE2 GLU A 110 8.516 -9.843 3.651 1.00 0.00 O ATOM 0 H GLU A 110 4.481 -7.872 0.259 1.00 0.00 H new ATOM 0 HA GLU A 110 4.743 -6.924 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.922 -8.873 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.089 -7.655 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.159 -7.041 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.398 -8.602 3.931 1.00 0.00 H new ATOM 1791 N ARG A 111 5.765 -4.901 0.589 1.00 0.00 N ATOM 1792 CA ARG A 111 6.289 -3.571 0.328 1.00 0.00 C ATOM 1793 C ARG A 111 5.215 -2.515 0.599 1.00 0.00 C ATOM 1794 O ARG A 111 5.470 -1.529 1.288 1.00 0.00 O ATOM 1795 CB ARG A 111 6.767 -3.442 -1.120 1.00 0.00 C ATOM 1796 CG ARG A 111 8.110 -2.712 -1.190 1.00 0.00 C ATOM 1797 CD ARG A 111 9.263 -3.701 -1.377 1.00 0.00 C ATOM 1798 NE ARG A 111 9.661 -3.749 -2.802 1.00 0.00 N ATOM 1799 CZ ARG A 111 10.748 -4.389 -3.256 1.00 0.00 C ATOM 1800 NH1 ARG A 111 11.550 -5.037 -2.402 1.00 0.00 N ATOM 1801 NH2 ARG A 111 11.031 -4.380 -4.566 1.00 0.00 N ATOM 0 H ARG A 111 5.343 -5.359 -0.219 1.00 0.00 H new ATOM 0 HA ARG A 111 7.137 -3.412 0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 111 6.864 -4.432 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.024 -2.901 -1.705 1.00 0.00 H new ATOM 0 HG2 ARG A 111 8.099 -2.001 -2.016 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.264 -2.137 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.113 -3.402 -0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.961 -4.693 -1.041 1.00 0.00 H new ATOM 0 HE ARG A 111 9.072 -3.265 -3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.334 -5.044 -1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.377 -5.524 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 111 10.420 -3.887 -5.216 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.858 -4.867 -4.913 1.00 0.00 H new ATOM 1815 N PHE A 112 4.037 -2.759 0.043 1.00 0.00 N ATOM 1816 CA PHE A 112 2.924 -1.841 0.216 1.00 0.00 C ATOM 1817 C PHE A 112 2.653 -1.582 1.699 1.00 0.00 C ATOM 1818 O PHE A 112 2.617 -0.433 2.136 1.00 0.00 O ATOM 1819 CB PHE A 112 1.695 -2.507 -0.406 1.00 0.00 C ATOM 1820 CG PHE A 112 0.479 -1.585 -0.520 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.649 -0.269 -0.820 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.772 -2.082 -0.321 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.480 0.586 -0.926 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.900 -1.226 -0.427 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.731 0.089 -0.727 1.00 0.00 C ATOM 0 H PHE A 112 3.829 -3.579 -0.527 1.00 0.00 H new ATOM 0 HA PHE A 112 3.152 -0.886 -0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.956 -2.872 -1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.424 -3.377 0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.642 0.125 -0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.907 -3.127 -0.083 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.346 1.631 -1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.893 -1.620 -0.269 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.590 0.739 -0.807 1.00 0.00 H new ATOM 1835 N LYS A 113 2.469 -2.670 2.433 1.00 0.00 N ATOM 1836 CA LYS A 113 2.202 -2.575 3.858 1.00 0.00 C ATOM 1837 C LYS A 113 3.270 -1.699 4.516 1.00 0.00 C ATOM 1838 O LYS A 113 2.948 -0.741 5.217 1.00 0.00 O ATOM 1839 CB LYS A 113 2.085 -3.970 4.476 1.00 0.00 C ATOM 1840 CG LYS A 113 1.955 -3.886 5.998 1.00 0.00 C ATOM 1841 CD LYS A 113 2.718 -5.026 6.677 1.00 0.00 C ATOM 1842 CE LYS A 113 3.808 -4.481 7.601 1.00 0.00 C ATOM 1843 NZ LYS A 113 4.697 -5.575 8.054 1.00 0.00 N ATOM 0 H LYS A 113 2.500 -3.622 2.067 1.00 0.00 H new ATOM 0 HA LYS A 113 1.241 -2.092 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.218 -4.484 4.061 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.962 -4.562 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.339 -2.928 6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.903 -3.929 6.280 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.025 -5.642 7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.166 -5.670 5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.391 -3.723 7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.352 -3.994 8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.432 -5.188 8.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.139 -6.284 8.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.146 -6.022 7.229 1.00 0.00 H new ATOM 1857 N SER A 114 4.520 -2.059 4.266 1.00 0.00 N ATOM 1858 CA SER A 114 5.638 -1.317 4.825 1.00 0.00 C ATOM 1859 C SER A 114 5.536 0.158 4.433 1.00 0.00 C ATOM 1860 O SER A 114 5.371 1.022 5.293 1.00 0.00 O ATOM 1861 CB SER A 114 6.974 -1.899 4.357 1.00 0.00 C ATOM 1862 OG SER A 114 7.378 -3.012 5.149 1.00 0.00 O ATOM 0 H SER A 114 4.784 -2.854 3.684 1.00 0.00 H new ATOM 0 HA SER A 114 5.595 -1.401 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.890 -2.207 3.315 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.741 -1.126 4.400 1.00 0.00 H new ATOM 0 HG SER A 114 7.200 -3.843 4.661 1.00 0.00 H new ATOM 1868 N LEU A 115 5.637 0.402 3.135 1.00 0.00 N ATOM 1869 CA LEU A 115 5.558 1.758 2.619 1.00 0.00 C ATOM 1870 C LEU A 115 4.544 2.554 3.444 1.00 0.00 C ATOM 1871 O LEU A 115 4.797 3.702 3.805 1.00 0.00 O ATOM 1872 CB LEU A 115 5.255 1.744 1.120 1.00 0.00 C ATOM 1873 CG LEU A 115 5.371 3.089 0.399 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.488 4.145 1.065 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.831 3.537 0.307 1.00 0.00 C ATOM 0 H LEU A 115 5.773 -0.317 2.424 1.00 0.00 H new ATOM 0 HA LEU A 115 6.519 2.261 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.931 1.037 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.243 1.364 0.978 1.00 0.00 H new ATOM 0 HG LEU A 115 5.008 2.963 -0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.589 5.091 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.448 3.821 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.797 4.277 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.886 4.495 -0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 115 7.243 3.642 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.406 2.794 -0.246 1.00 0.00 H new ATOM 1887 N LEU A 116 3.418 1.912 3.717 1.00 0.00 N ATOM 1888 CA LEU A 116 2.365 2.546 4.493 1.00 0.00 C ATOM 1889 C LEU A 116 2.905 2.911 5.876 1.00 0.00 C ATOM 1890 O LEU A 116 2.932 4.084 6.247 1.00 0.00 O ATOM 1891 CB LEU A 116 1.120 1.657 4.534 1.00 0.00 C ATOM 1892 CG LEU A 116 0.506 1.299 3.179 1.00 0.00 C ATOM 1893 CD1 LEU A 116 -0.096 -0.107 3.204 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.514 2.353 2.744 1.00 0.00 C ATOM 0 H LEU A 116 3.211 0.960 3.415 1.00 0.00 H new ATOM 0 HA LEU A 116 2.050 3.475 4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.375 0.732 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.360 2.158 5.134 1.00 0.00 H new ATOM 0 HG LEU A 116 1.301 1.294 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.526 -0.336 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.684 -0.832 3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.876 -0.156 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.935 2.075 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.312 2.414 3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.022 3.322 2.660 1.00 0.00 H new ATOM 1906 N GLN A 117 3.324 1.885 6.603 1.00 0.00 N ATOM 1907 CA GLN A 117 3.862 2.083 7.938 1.00 0.00 C ATOM 1908 C GLN A 117 5.227 2.772 7.863 1.00 0.00 C ATOM 1909 O GLN A 117 5.828 3.079 8.891 1.00 0.00 O ATOM 1910 CB GLN A 117 3.959 0.756 8.693 1.00 0.00 C ATOM 1911 CG GLN A 117 4.879 -0.224 7.963 1.00 0.00 C ATOM 1912 CD GLN A 117 5.652 -1.094 8.957 1.00 0.00 C ATOM 1913 OE1 GLN A 117 5.414 -1.075 10.154 1.00 0.00 O ATOM 1914 NE2 GLN A 117 6.587 -1.856 8.397 1.00 0.00 N ATOM 0 H GLN A 117 3.302 0.914 6.292 1.00 0.00 H new ATOM 0 HA GLN A 117 3.180 2.729 8.491 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.336 0.933 9.700 1.00 0.00 H new ATOM 0 HB3 GLN A 117 2.966 0.319 8.797 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.289 -0.858 7.301 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.579 0.327 7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.735 -1.824 7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 117 7.157 -2.473 8.976 1.00 0.00 H new ATOM 1923 N LYS A 118 5.675 2.994 6.636 1.00 0.00 N ATOM 1924 CA LYS A 118 6.957 3.640 6.413 1.00 0.00 C ATOM 1925 C LYS A 118 6.777 5.158 6.481 1.00 0.00 C ATOM 1926 O LYS A 118 7.184 5.793 7.453 1.00 0.00 O ATOM 1927 CB LYS A 118 7.583 3.153 5.105 1.00 0.00 C ATOM 1928 CG LYS A 118 9.013 2.658 5.332 1.00 0.00 C ATOM 1929 CD LYS A 118 9.479 1.778 4.171 1.00 0.00 C ATOM 1930 CE LYS A 118 10.939 2.067 3.815 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.842 1.149 4.544 1.00 0.00 N ATOM 0 H LYS A 118 5.173 2.738 5.786 1.00 0.00 H new ATOM 0 HA LYS A 118 7.662 3.367 7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.978 2.349 4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.586 3.963 4.376 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.684 3.510 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.063 2.094 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.367 0.727 4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.847 1.954 3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.087 1.955 2.741 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.183 3.100 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.829 1.359 4.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 11.713 1.276 5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.620 0.166 4.286 1.00 0.00 H new ATOM 1945 N MET A 119 6.166 5.696 5.436 1.00 0.00 N ATOM 1946 CA MET A 119 5.927 7.128 5.364 1.00 0.00 C ATOM 1947 C MET A 119 4.527 7.476 5.875 1.00 0.00 C ATOM 1948 O MET A 119 4.384 8.203 6.856 1.00 0.00 O ATOM 1949 CB MET A 119 6.073 7.598 3.915 1.00 0.00 C ATOM 1950 CG MET A 119 5.871 9.111 3.807 1.00 0.00 C ATOM 1951 SD MET A 119 7.389 9.960 4.210 1.00 0.00 S ATOM 1952 CE MET A 119 7.272 11.349 3.095 1.00 0.00 C ATOM 0 H MET A 119 5.829 5.166 4.632 1.00 0.00 H new ATOM 0 HA MET A 119 6.660 7.632 5.994 1.00 0.00 H new ATOM 0 HB2 MET A 119 7.061 7.332 3.540 1.00 0.00 H new ATOM 0 HB3 MET A 119 5.345 7.084 3.287 1.00 0.00 H new ATOM 0 HG2 MET A 119 5.555 9.373 2.797 1.00 0.00 H new ATOM 0 HG3 MET A 119 5.076 9.429 4.482 1.00 0.00 H new ATOM 0 HE1 MET A 119 8.190 11.426 2.513 1.00 0.00 H new ATOM 0 HE2 MET A 119 6.427 11.205 2.422 1.00 0.00 H new ATOM 0 HE3 MET A 119 7.128 12.265 3.668 1.00 0.00 H new ATOM 1962 N ILE A 120 3.530 6.940 5.186 1.00 0.00 N ATOM 1963 CA ILE A 120 2.147 7.185 5.558 1.00 0.00 C ATOM 1964 C ILE A 120 2.032 7.222 7.083 1.00 0.00 C ATOM 1965 O ILE A 120 1.321 8.060 7.635 1.00 0.00 O ATOM 1966 CB ILE A 120 1.225 6.158 4.897 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.912 6.552 3.452 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.047 5.952 5.723 1.00 0.00 C ATOM 1969 CD1 ILE A 120 2.168 7.051 2.736 1.00 0.00 C ATOM 0 H ILE A 120 3.653 6.337 4.372 1.00 0.00 H new ATOM 0 HA ILE A 120 1.820 8.157 5.190 1.00 0.00 H new ATOM 0 HB ILE A 120 1.747 5.202 4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 120 0.501 5.695 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 120 0.149 7.330 3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -0.685 5.218 5.231 1.00 0.00 H new ATOM 0 HG22 ILE A 120 0.219 5.594 6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.582 6.898 5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.918 7.324 1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.562 7.923 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.920 6.262 2.728 1.00 0.00 H new ATOM 1981 N HIS A 121 2.744 6.305 7.721 1.00 0.00 N ATOM 1982 CA HIS A 121 2.731 6.223 9.172 1.00 0.00 C ATOM 1983 C HIS A 121 3.310 7.509 9.764 1.00 0.00 C ATOM 1984 O HIS A 121 2.575 8.332 10.307 1.00 0.00 O ATOM 1985 CB HIS A 121 3.464 4.968 9.651 1.00 0.00 C ATOM 1986 CG HIS A 121 2.577 3.973 10.361 1.00 0.00 C ATOM 1987 ND1 HIS A 121 2.845 3.504 11.635 1.00 0.00 N ATOM 1988 CD2 HIS A 121 1.423 3.364 9.962 1.00 0.00 C ATOM 1989 CE1 HIS A 121 1.891 2.651 11.977 1.00 0.00 C ATOM 1990 NE2 HIS A 121 1.011 2.565 10.938 1.00 0.00 N ATOM 0 H HIS A 121 3.334 5.612 7.260 1.00 0.00 H new ATOM 0 HA HIS A 121 1.704 6.132 9.526 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.926 4.480 8.793 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.270 5.264 10.322 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.929 3.508 9.013 1.00 0.00 H new ATOM 0 HE1 HIS A 121 1.822 2.118 12.913 1.00 0.00 H new ATOM 0 HE2 HIS A 121 0.174 1.982 10.915 1.00 0.00 H new ATOM 1998 N GLN A 122 4.622 7.643 9.638 1.00 0.00 N ATOM 1999 CA GLN A 122 5.308 8.815 10.154 1.00 0.00 C ATOM 2000 C GLN A 122 4.521 10.083 9.814 1.00 0.00 C ATOM 2001 O GLN A 122 4.489 11.028 10.601 1.00 0.00 O ATOM 2002 CB GLN A 122 6.737 8.896 9.615 1.00 0.00 C ATOM 2003 CG GLN A 122 6.762 8.714 8.096 1.00 0.00 C ATOM 2004 CD GLN A 122 8.198 8.665 7.572 1.00 0.00 C ATOM 2005 OE1 GLN A 122 8.658 9.544 6.862 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.880 7.591 7.962 1.00 0.00 N ATOM 0 H GLN A 122 5.228 6.959 9.186 1.00 0.00 H new ATOM 0 HA GLN A 122 5.369 8.728 11.239 1.00 0.00 H new ATOM 0 HB2 GLN A 122 7.174 9.860 9.876 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.351 8.129 10.087 1.00 0.00 H new ATOM 0 HG2 GLN A 122 6.242 7.794 7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.225 9.534 7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.435 6.892 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.848 7.466 7.666 1.00 0.00 H new