USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 729 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 9 HIS : no HE2:sc= -2.28! C(o=-2.3!,f=-6.7!) USER MOD Single : A 11 HIS : no HE2:sc= -0.247 K(o=-0.25,f=-1.1) USER MOD Single : A 21 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.48) USER MOD Single : A 24 ASN : amide:sc= -1.77! C(o=-1.8!,f=-4.5!) USER MOD Single : A 26 HIS : no HD1:sc= 0 K(o=0,f=-2.1) USER MOD Single : A 29 TYR OH : rot -52:sc= 1.59 USER MOD Single : A 33 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.96) USER MOD Single : A 34 ASN : amide:sc= 0.442 K(o=0.44,f=-4.2!) USER MOD Single : A 37 SER OG : rot -32:sc= 0.389 USER MOD Single : A 40 TYR OH : rot -159:sc= 0.425 USER MOD Single : A 42 HIS : no HE2:sc=-0.00567 K(o=-0.0057,f=-0.8) USER MOD Single : A 45 MET CE :methyl -108:sc= -0.332 (180deg=-1.91) USER MOD Single : A 52 LYS NZ :NH3+ 164:sc= -0.0354 (180deg=-0.0873) USER MOD Single : A 55 SER OG : rot 32:sc= 0.0185 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0791 USER MOD Single : A 67 ASN : amide:sc= -0.416 X(o=-0.42,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 84:sc= 0.84 USER MOD Single : A 77 GLN : amide:sc= -0.403 K(o=-0.4,f=-5.9!) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0287) USER MOD Single : A 79 HIS : no HD1:sc= -0.509 X(o=-0.51,f=-0.054) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -117:sc= -0.518 (180deg=-1.82) USER MOD Single : A 105 LYS NZ :NH3+ -176:sc= 0.296 (180deg=0.187) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -7.851 10.108 -2.328 1.00 0.00 N ATOM 63 CA PHE A 5 -6.631 9.855 -1.548 1.00 0.00 C ATOM 64 C PHE A 5 -6.513 10.905 -0.429 1.00 0.00 C ATOM 65 O PHE A 5 -6.779 12.087 -0.650 1.00 0.00 O ATOM 66 CB PHE A 5 -5.400 9.934 -2.512 1.00 0.00 C ATOM 67 CG PHE A 5 -4.030 10.119 -1.836 1.00 0.00 C ATOM 68 CD1 PHE A 5 -3.327 9.031 -1.334 1.00 0.00 C ATOM 69 CD2 PHE A 5 -3.454 11.390 -1.704 1.00 0.00 C ATOM 70 CE1 PHE A 5 -2.099 9.196 -0.732 1.00 0.00 C ATOM 71 CE2 PHE A 5 -2.227 11.552 -1.096 1.00 0.00 C ATOM 72 CZ PHE A 5 -1.549 10.459 -0.612 1.00 0.00 C ATOM 0 HA PHE A 5 -6.667 8.867 -1.090 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.370 9.022 -3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.557 10.761 -3.204 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.750 8.041 -1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.978 12.254 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.565 8.337 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.798 12.539 -1.000 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.587 10.586 -0.138 1.00 0.00 H new ATOM 82 N GLU A 6 -6.130 10.447 0.769 1.00 0.00 N ATOM 83 CA GLU A 6 -5.897 11.301 1.951 1.00 0.00 C ATOM 84 C GLU A 6 -4.456 11.042 2.486 1.00 0.00 C ATOM 85 O GLU A 6 -3.893 9.972 2.233 1.00 0.00 O ATOM 86 CB GLU A 6 -6.993 10.989 3.021 1.00 0.00 C ATOM 87 CG GLU A 6 -7.010 9.524 3.506 1.00 0.00 C ATOM 88 CD GLU A 6 -8.237 9.137 4.349 1.00 0.00 C ATOM 89 OE1 GLU A 6 -8.370 9.624 5.491 1.00 0.00 O ATOM 90 OE2 GLU A 6 -9.064 8.315 3.887 1.00 0.00 O ATOM 0 H GLU A 6 -5.969 9.457 0.952 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.970 12.358 1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.841 11.642 3.880 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.970 11.233 2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.962 8.868 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.111 9.340 4.094 1.00 0.00 H new ATOM 97 N PRO A 7 -3.803 12.028 3.180 1.00 0.00 N ATOM 98 CA PRO A 7 -2.442 11.835 3.760 1.00 0.00 C ATOM 99 C PRO A 7 -2.403 10.700 4.815 1.00 0.00 C ATOM 100 O PRO A 7 -2.975 10.837 5.902 1.00 0.00 O ATOM 101 CB PRO A 7 -2.122 13.218 4.396 1.00 0.00 C ATOM 102 CG PRO A 7 -3.456 13.881 4.574 1.00 0.00 C ATOM 103 CD PRO A 7 -4.301 13.408 3.417 1.00 0.00 C ATOM 0 HA PRO A 7 -1.713 11.529 3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.607 13.104 5.350 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.471 13.808 3.751 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.907 13.605 5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.358 14.967 4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.363 13.417 3.663 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.172 14.040 2.538 1.00 0.00 H new ATOM 111 N GLY A 8 -1.749 9.575 4.476 1.00 0.00 N ATOM 112 CA GLY A 8 -1.615 8.430 5.393 1.00 0.00 C ATOM 113 C GLY A 8 -2.428 7.220 4.945 1.00 0.00 C ATOM 114 O GLY A 8 -2.276 6.125 5.503 1.00 0.00 O ATOM 0 H GLY A 8 -1.303 9.435 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.564 8.150 5.467 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.936 8.729 6.391 1.00 0.00 H new ATOM 118 N HIS A 9 -3.275 7.408 3.905 1.00 0.00 N ATOM 119 CA HIS A 9 -4.230 6.382 3.457 1.00 0.00 C ATOM 120 C HIS A 9 -4.683 6.663 2.004 1.00 0.00 C ATOM 121 O HIS A 9 -5.188 7.729 1.692 1.00 0.00 O ATOM 122 CB HIS A 9 -5.434 6.348 4.432 1.00 0.00 C ATOM 123 CG HIS A 9 -6.467 5.291 4.165 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.819 5.528 4.242 1.00 0.00 N ATOM 125 CD2 HIS A 9 -6.340 3.971 3.907 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.469 4.405 4.055 1.00 0.00 C ATOM 127 NE2 HIS A 9 -7.595 3.442 3.849 1.00 0.00 N ATOM 0 H HIS A 9 -3.311 8.270 3.361 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.750 5.404 3.463 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -5.053 6.209 5.444 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.924 7.321 4.407 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -8.249 6.436 4.417 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.413 3.433 3.771 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -9.543 4.289 4.068 1.00 0.00 H new ATOM 136 N LEU A 10 -4.535 5.669 1.137 1.00 0.00 N ATOM 137 CA LEU A 10 -4.817 5.771 -0.304 1.00 0.00 C ATOM 138 C LEU A 10 -6.183 5.138 -0.592 1.00 0.00 C ATOM 139 O LEU A 10 -6.584 4.185 0.090 1.00 0.00 O ATOM 140 CB LEU A 10 -3.694 5.027 -1.089 1.00 0.00 C ATOM 141 CG LEU A 10 -3.902 4.810 -2.628 1.00 0.00 C ATOM 142 CD1 LEU A 10 -4.013 6.153 -3.394 1.00 0.00 C ATOM 143 CD2 LEU A 10 -2.776 3.920 -3.211 1.00 0.00 C ATOM 0 H LEU A 10 -4.208 4.744 1.415 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.840 6.815 -0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.765 5.580 -0.951 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.554 4.049 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.851 4.291 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.156 5.955 -4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.862 6.720 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.099 6.729 -3.252 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.938 3.781 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.811 4.402 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.785 2.950 -2.714 1.00 0.00 H new ATOM 155 N HIS A 11 -6.920 5.696 -1.563 1.00 0.00 N ATOM 156 CA HIS A 11 -8.151 5.080 -2.075 1.00 0.00 C ATOM 157 C HIS A 11 -8.034 4.913 -3.605 1.00 0.00 C ATOM 158 O HIS A 11 -7.906 5.913 -4.320 1.00 0.00 O ATOM 159 CB HIS A 11 -9.386 5.950 -1.696 1.00 0.00 C ATOM 160 CG HIS A 11 -10.707 5.205 -1.633 1.00 0.00 C ATOM 161 ND1 HIS A 11 -11.654 5.447 -0.660 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.247 4.251 -2.433 1.00 0.00 C ATOM 163 CE1 HIS A 11 -12.705 4.683 -0.867 1.00 0.00 C ATOM 164 NE2 HIS A 11 -12.486 3.949 -1.937 1.00 0.00 N ATOM 0 H HIS A 11 -6.682 6.580 -2.012 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.288 4.097 -1.624 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.201 6.412 -0.726 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.477 6.758 -2.422 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -11.555 6.116 0.103 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.783 3.810 -3.303 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -13.598 4.662 -0.260 1.00 0.00 H new ATOM 173 N LEU A 12 -8.064 3.653 -4.096 1.00 0.00 N ATOM 174 CA LEU A 12 -8.077 3.355 -5.539 1.00 0.00 C ATOM 175 C LEU A 12 -9.531 3.289 -6.018 1.00 0.00 C ATOM 176 O LEU A 12 -10.262 2.380 -5.632 1.00 0.00 O ATOM 177 CB LEU A 12 -7.378 1.995 -5.851 1.00 0.00 C ATOM 178 CG LEU A 12 -5.875 1.847 -5.452 1.00 0.00 C ATOM 179 CD1 LEU A 12 -5.340 0.428 -5.806 1.00 0.00 C ATOM 180 CD2 LEU A 12 -5.012 2.950 -6.112 1.00 0.00 C ATOM 0 H LEU A 12 -8.080 2.822 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.532 4.144 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.938 1.206 -5.349 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.461 1.812 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.802 1.971 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.292 0.352 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.919 -0.324 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.434 0.261 -6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.971 2.822 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.094 2.876 -7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.364 3.930 -5.788 1.00 0.00 H new ATOM 192 N VAL A 13 -9.949 4.278 -6.812 1.00 0.00 N ATOM 193 CA VAL A 13 -11.228 4.251 -7.559 1.00 0.00 C ATOM 194 C VAL A 13 -10.907 4.522 -9.031 1.00 0.00 C ATOM 195 O VAL A 13 -9.934 5.238 -9.329 1.00 0.00 O ATOM 196 CB VAL A 13 -12.269 5.309 -7.012 1.00 0.00 C ATOM 197 CG1 VAL A 13 -13.603 5.289 -7.809 1.00 0.00 C ATOM 198 CG2 VAL A 13 -12.544 5.078 -5.513 1.00 0.00 C ATOM 0 H VAL A 13 -9.411 5.132 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.697 3.275 -7.433 1.00 0.00 H new ATOM 0 HB VAL A 13 -11.821 6.293 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.285 6.032 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.405 5.520 -8.856 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.056 4.300 -7.735 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.262 5.816 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.950 4.077 -5.368 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.614 5.177 -4.953 1.00 0.00 H new ATOM 307 N GLN A 21 -16.486 0.458 -13.759 1.00 0.00 N ATOM 308 CA GLN A 21 -16.421 -0.731 -12.871 1.00 0.00 C ATOM 309 C GLN A 21 -16.212 -0.269 -11.419 1.00 0.00 C ATOM 310 O GLN A 21 -15.535 0.736 -11.179 1.00 0.00 O ATOM 311 CB GLN A 21 -15.295 -1.713 -13.318 1.00 0.00 C ATOM 312 CG GLN A 21 -15.323 -3.085 -12.599 1.00 0.00 C ATOM 313 CD GLN A 21 -14.268 -4.076 -13.098 1.00 0.00 C ATOM 314 OE1 GLN A 21 -13.846 -4.035 -14.251 1.00 0.00 O ATOM 315 NE2 GLN A 21 -13.858 -4.993 -12.237 1.00 0.00 N ATOM 0 HA GLN A 21 -17.363 -1.276 -12.940 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -15.378 -1.877 -14.392 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.328 -1.243 -13.141 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.179 -2.926 -11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.311 -3.529 -12.725 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.227 -5.001 -11.286 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.173 -5.692 -12.524 1.00 0.00 H new ATOM 324 N ASP A 22 -16.771 -1.033 -10.459 1.00 0.00 N ATOM 325 CA ASP A 22 -16.877 -0.627 -9.045 1.00 0.00 C ATOM 326 C ASP A 22 -15.618 -1.054 -8.264 1.00 0.00 C ATOM 327 O ASP A 22 -15.684 -1.748 -7.244 1.00 0.00 O ATOM 328 CB ASP A 22 -18.185 -1.237 -8.446 1.00 0.00 C ATOM 329 CG ASP A 22 -18.471 -0.810 -6.993 1.00 0.00 C ATOM 330 OD1 ASP A 22 -18.813 0.370 -6.770 1.00 0.00 O ATOM 331 OD2 ASP A 22 -18.335 -1.646 -6.068 1.00 0.00 O ATOM 0 H ASP A 22 -17.164 -1.956 -10.646 1.00 0.00 H new ATOM 0 HA ASP A 22 -16.936 0.459 -8.966 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.029 -0.946 -9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -18.118 -2.324 -8.487 1.00 0.00 H new ATOM 336 N ILE A 23 -14.447 -0.627 -8.756 1.00 0.00 N ATOM 337 CA ILE A 23 -13.180 -0.887 -8.070 1.00 0.00 C ATOM 338 C ILE A 23 -12.963 0.269 -7.074 1.00 0.00 C ATOM 339 O ILE A 23 -12.918 1.445 -7.453 1.00 0.00 O ATOM 340 CB ILE A 23 -11.974 -1.124 -9.080 1.00 0.00 C ATOM 341 CG1 ILE A 23 -11.554 0.154 -9.904 1.00 0.00 C ATOM 342 CG2 ILE A 23 -12.315 -2.300 -10.033 1.00 0.00 C ATOM 343 CD1 ILE A 23 -10.382 0.939 -9.316 1.00 0.00 C ATOM 0 H ILE A 23 -14.354 -0.101 -9.625 1.00 0.00 H new ATOM 0 HA ILE A 23 -13.220 -1.826 -7.518 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.106 -1.369 -8.468 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.295 -0.153 -10.917 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -12.415 0.818 -9.982 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.487 -2.460 -10.724 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.481 -3.205 -9.449 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -13.217 -2.062 -10.597 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.166 1.799 -9.950 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.640 1.282 -8.314 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.503 0.296 -9.264 1.00 0.00 H new ATOM 355 N ASN A 24 -12.970 -0.083 -5.785 1.00 0.00 N ATOM 356 CA ASN A 24 -12.854 0.874 -4.681 1.00 0.00 C ATOM 357 C ASN A 24 -12.077 0.205 -3.540 1.00 0.00 C ATOM 358 O ASN A 24 -12.555 -0.716 -2.875 1.00 0.00 O ATOM 359 CB ASN A 24 -14.242 1.424 -4.233 1.00 0.00 C ATOM 360 CG ASN A 24 -15.257 0.359 -3.809 1.00 0.00 C ATOM 361 OD1 ASN A 24 -15.376 0.037 -2.626 1.00 0.00 O ATOM 362 ND2 ASN A 24 -15.983 -0.201 -4.768 1.00 0.00 N ATOM 0 H ASN A 24 -13.057 -1.051 -5.475 1.00 0.00 H new ATOM 0 HA ASN A 24 -12.301 1.753 -5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.091 2.112 -3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -14.668 2.003 -5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -16.666 -0.922 -4.536 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -15.859 0.090 -5.738 1.00 0.00 H new ATOM 369 N ILE A 25 -10.853 0.690 -3.326 1.00 0.00 N ATOM 370 CA ILE A 25 -9.847 0.013 -2.497 1.00 0.00 C ATOM 371 C ILE A 25 -9.268 0.997 -1.491 1.00 0.00 C ATOM 372 O ILE A 25 -9.050 2.152 -1.816 1.00 0.00 O ATOM 373 CB ILE A 25 -8.689 -0.568 -3.390 1.00 0.00 C ATOM 374 CG1 ILE A 25 -9.265 -1.559 -4.457 1.00 0.00 C ATOM 375 CG2 ILE A 25 -7.581 -1.238 -2.535 1.00 0.00 C ATOM 376 CD1 ILE A 25 -8.237 -2.223 -5.337 1.00 0.00 C ATOM 0 H ILE A 25 -10.527 1.570 -3.725 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.329 -0.811 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.222 0.266 -3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.833 -2.333 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.967 -1.017 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.801 -1.626 -3.190 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.151 -0.502 -1.855 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.011 -2.057 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.736 -2.889 -6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.683 -1.462 -5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.547 -2.799 -4.720 1.00 0.00 H new ATOM 388 N HIS A 26 -9.025 0.525 -0.277 1.00 0.00 N ATOM 389 CA HIS A 26 -8.324 1.273 0.764 1.00 0.00 C ATOM 390 C HIS A 26 -6.938 0.641 0.908 1.00 0.00 C ATOM 391 O HIS A 26 -6.863 -0.557 1.122 1.00 0.00 O ATOM 392 CB HIS A 26 -9.090 1.168 2.108 1.00 0.00 C ATOM 393 CG HIS A 26 -10.544 1.550 2.072 1.00 0.00 C ATOM 394 ND1 HIS A 26 -11.482 0.976 2.891 1.00 0.00 N ATOM 395 CD2 HIS A 26 -11.217 2.442 1.317 1.00 0.00 C ATOM 396 CE1 HIS A 26 -12.660 1.493 2.645 1.00 0.00 C ATOM 397 NE2 HIS A 26 -12.535 2.392 1.696 1.00 0.00 N ATOM 0 H HIS A 26 -9.314 -0.407 0.021 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.252 2.328 0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.014 0.142 2.467 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -8.587 1.800 2.840 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -10.796 3.079 0.554 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.581 1.224 3.140 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -13.290 2.957 1.307 1.00 0.00 H new ATOM 406 N ILE A 27 -5.859 1.414 0.729 1.00 0.00 N ATOM 407 CA ILE A 27 -4.483 0.949 1.009 1.00 0.00 C ATOM 408 C ILE A 27 -3.857 1.908 2.021 1.00 0.00 C ATOM 409 O ILE A 27 -3.568 3.055 1.687 1.00 0.00 O ATOM 410 CB ILE A 27 -3.573 0.888 -0.285 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.204 -0.041 -1.372 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.125 0.430 0.068 1.00 0.00 C ATOM 413 CD1 ILE A 27 -3.402 -0.155 -2.662 1.00 0.00 C ATOM 0 H ILE A 27 -5.908 2.374 0.388 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.544 -0.068 1.397 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.514 1.895 -0.698 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.328 -1.038 -0.949 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.200 0.330 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.522 0.397 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.682 1.134 0.772 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.157 -0.562 0.518 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.919 -0.820 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.299 0.831 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.414 -0.558 -2.441 1.00 0.00 H new ATOM 425 N ARG A 28 -3.656 1.443 3.255 1.00 0.00 N ATOM 426 CA ARG A 28 -3.049 2.258 4.313 1.00 0.00 C ATOM 427 C ARG A 28 -1.542 2.024 4.287 1.00 0.00 C ATOM 428 O ARG A 28 -1.108 0.886 4.183 1.00 0.00 O ATOM 429 CB ARG A 28 -3.624 1.893 5.703 1.00 0.00 C ATOM 430 CG ARG A 28 -3.416 2.990 6.773 1.00 0.00 C ATOM 431 CD ARG A 28 -4.092 2.666 8.114 1.00 0.00 C ATOM 432 NE ARG A 28 -3.818 3.713 9.122 1.00 0.00 N ATOM 433 CZ ARG A 28 -4.733 4.446 9.770 1.00 0.00 C ATOM 434 NH1 ARG A 28 -6.023 4.311 9.508 1.00 0.00 N ATOM 435 NH2 ARG A 28 -4.340 5.314 10.689 1.00 0.00 N ATOM 0 H ARG A 28 -3.906 0.499 3.549 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.275 3.309 4.135 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.691 1.694 5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.158 0.970 6.047 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.348 3.130 6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.807 3.935 6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.168 2.572 7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.735 1.703 8.480 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.839 3.894 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.333 3.641 8.804 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.707 4.877 10.010 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.347 5.420 10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.030 5.876 11.187 1.00 0.00 H new ATOM 449 N TYR A 29 -0.760 3.098 4.342 1.00 0.00 N ATOM 450 CA TYR A 29 0.705 3.023 4.397 1.00 0.00 C ATOM 451 C TYR A 29 1.178 3.783 5.645 1.00 0.00 C ATOM 452 O TYR A 29 0.892 4.977 5.815 1.00 0.00 O ATOM 453 CB TYR A 29 1.327 3.579 3.081 1.00 0.00 C ATOM 454 CG TYR A 29 0.858 5.000 2.699 1.00 0.00 C ATOM 455 CD1 TYR A 29 -0.367 5.215 2.049 1.00 0.00 C ATOM 456 CD2 TYR A 29 1.618 6.124 3.026 1.00 0.00 C ATOM 457 CE1 TYR A 29 -0.796 6.489 1.739 1.00 0.00 C ATOM 458 CE2 TYR A 29 1.182 7.393 2.729 1.00 0.00 C ATOM 459 CZ TYR A 29 -0.019 7.574 2.090 1.00 0.00 C ATOM 460 OH TYR A 29 -0.456 8.849 1.830 1.00 0.00 O ATOM 0 H TYR A 29 -1.122 4.052 4.350 1.00 0.00 H new ATOM 0 HA TYR A 29 1.038 1.988 4.477 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.412 3.583 3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.085 2.899 2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.985 4.369 1.787 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.568 5.994 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.734 6.636 1.225 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.785 8.248 2.998 1.00 0.00 H new ATOM 0 HH TYR A 29 -0.717 8.920 0.888 1.00 0.00 H new ATOM 470 N GLU A 30 1.839 3.060 6.557 1.00 0.00 N ATOM 471 CA GLU A 30 2.353 3.620 7.816 1.00 0.00 C ATOM 472 C GLU A 30 3.810 3.191 7.983 1.00 0.00 C ATOM 473 O GLU A 30 4.077 2.004 8.180 1.00 0.00 O ATOM 474 CB GLU A 30 1.510 3.080 9.014 1.00 0.00 C ATOM 475 CG GLU A 30 -0.014 3.283 8.891 1.00 0.00 C ATOM 476 CD GLU A 30 -0.800 2.573 10.001 1.00 0.00 C ATOM 477 OE1 GLU A 30 -0.787 1.325 10.041 1.00 0.00 O ATOM 478 OE2 GLU A 30 -1.452 3.249 10.823 1.00 0.00 O ATOM 0 H GLU A 30 2.034 2.065 6.443 1.00 0.00 H new ATOM 0 HA GLU A 30 2.284 4.708 7.794 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.710 2.015 9.127 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.852 3.567 9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.237 4.350 8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.348 2.913 7.922 1.00 0.00 H new ATOM 485 N VAL A 31 4.752 4.142 7.924 1.00 0.00 N ATOM 486 CA VAL A 31 6.161 3.835 8.180 1.00 0.00 C ATOM 487 C VAL A 31 6.386 3.818 9.693 1.00 0.00 C ATOM 488 O VAL A 31 6.211 4.835 10.371 1.00 0.00 O ATOM 489 CB VAL A 31 7.137 4.845 7.483 1.00 0.00 C ATOM 490 CG1 VAL A 31 8.624 4.521 7.817 1.00 0.00 C ATOM 491 CG2 VAL A 31 6.899 4.842 5.955 1.00 0.00 C ATOM 0 H VAL A 31 4.564 5.120 7.703 1.00 0.00 H new ATOM 0 HA VAL A 31 6.384 2.858 7.751 1.00 0.00 H new ATOM 0 HB VAL A 31 6.929 5.843 7.868 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.274 5.240 7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.776 4.581 8.895 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.864 3.515 7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.581 5.546 5.479 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.077 3.842 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.870 5.136 5.746 1.00 0.00 H new ATOM 501 N ARG A 32 6.763 2.649 10.198 1.00 0.00 N ATOM 502 CA ARG A 32 7.011 2.416 11.622 1.00 0.00 C ATOM 503 C ARG A 32 8.397 1.781 11.758 1.00 0.00 C ATOM 504 O ARG A 32 8.931 1.246 10.783 1.00 0.00 O ATOM 505 CB ARG A 32 5.925 1.475 12.203 1.00 0.00 C ATOM 506 CG ARG A 32 5.996 1.273 13.739 1.00 0.00 C ATOM 507 CD ARG A 32 5.302 -0.010 14.199 1.00 0.00 C ATOM 508 NE ARG A 32 5.301 -0.145 15.659 1.00 0.00 N ATOM 509 CZ ARG A 32 4.264 -0.554 16.403 1.00 0.00 C ATOM 510 NH1 ARG A 32 3.091 -0.851 15.848 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.404 -0.643 17.713 1.00 0.00 N ATOM 0 H ARG A 32 6.908 1.820 9.622 1.00 0.00 H new ATOM 0 HA ARG A 32 6.972 3.354 12.175 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.943 1.874 11.948 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.009 0.502 11.718 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.040 1.248 14.050 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.536 2.128 14.235 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.275 -0.016 13.834 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.803 -0.871 13.756 1.00 0.00 H new ATOM 0 HE ARG A 32 6.163 0.093 16.150 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.969 -0.769 14.839 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.314 -1.161 16.432 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.294 -0.402 18.148 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.622 -0.953 18.290 1.00 0.00 H new ATOM 525 N GLN A 33 8.982 1.839 12.957 1.00 0.00 N ATOM 526 CA GLN A 33 10.310 1.281 13.217 1.00 0.00 C ATOM 527 C GLN A 33 10.174 0.055 14.144 1.00 0.00 C ATOM 528 O GLN A 33 9.716 0.180 15.282 1.00 0.00 O ATOM 529 CB GLN A 33 11.244 2.356 13.847 1.00 0.00 C ATOM 530 CG GLN A 33 11.313 3.710 13.103 1.00 0.00 C ATOM 531 CD GLN A 33 11.833 3.611 11.667 1.00 0.00 C ATOM 532 OE1 GLN A 33 13.038 3.652 11.423 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.928 3.531 10.703 1.00 0.00 N ATOM 0 H GLN A 33 8.549 2.273 13.772 1.00 0.00 H new ATOM 0 HA GLN A 33 10.760 0.966 12.276 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.915 2.542 14.869 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.251 1.944 13.906 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.318 4.154 13.087 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.956 4.388 13.664 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.936 3.499 10.937 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.224 3.502 9.727 1.00 0.00 H new ATOM 542 N ASN A 34 10.511 -1.128 13.614 1.00 0.00 N ATOM 543 CA ASN A 34 10.597 -2.382 14.387 1.00 0.00 C ATOM 544 C ASN A 34 12.052 -2.648 14.825 1.00 0.00 C ATOM 545 O ASN A 34 12.999 -2.178 14.189 1.00 0.00 O ATOM 546 CB ASN A 34 10.051 -3.578 13.551 1.00 0.00 C ATOM 547 CG ASN A 34 10.697 -3.758 12.160 1.00 0.00 C ATOM 548 OD1 ASN A 34 11.808 -3.331 11.900 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.003 -4.422 11.256 1.00 0.00 N ATOM 0 H ASN A 34 10.735 -1.247 12.626 1.00 0.00 H new ATOM 0 HA ASN A 34 9.982 -2.278 15.281 1.00 0.00 H new ATOM 0 HB2 ASN A 34 10.195 -4.495 14.122 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.977 -3.449 13.421 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.396 -4.582 10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 34 9.074 -4.775 11.485 1.00 0.00 H new ATOM 556 N ALA A 35 12.215 -3.403 15.916 1.00 0.00 N ATOM 557 CA ALA A 35 13.541 -3.857 16.392 1.00 0.00 C ATOM 558 C ALA A 35 14.138 -4.957 15.480 1.00 0.00 C ATOM 559 O ALA A 35 15.342 -5.243 15.547 1.00 0.00 O ATOM 560 CB ALA A 35 13.431 -4.350 17.843 1.00 0.00 C ATOM 0 H ALA A 35 11.439 -3.720 16.498 1.00 0.00 H new ATOM 0 HA ALA A 35 14.223 -3.008 16.352 1.00 0.00 H new ATOM 0 HB1 ALA A 35 14.409 -4.683 18.189 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.079 -3.537 18.478 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.726 -5.180 17.893 1.00 0.00 H new ATOM 566 N GLU A 36 13.279 -5.564 14.641 1.00 0.00 N ATOM 567 CA GLU A 36 13.654 -6.676 13.751 1.00 0.00 C ATOM 568 C GLU A 36 14.519 -6.199 12.562 1.00 0.00 C ATOM 569 O GLU A 36 15.609 -6.728 12.331 1.00 0.00 O ATOM 570 CB GLU A 36 12.362 -7.380 13.240 1.00 0.00 C ATOM 571 CG GLU A 36 12.583 -8.555 12.252 1.00 0.00 C ATOM 572 CD GLU A 36 13.482 -9.676 12.809 1.00 0.00 C ATOM 573 OE1 GLU A 36 13.026 -10.434 13.686 1.00 0.00 O ATOM 574 OE2 GLU A 36 14.657 -9.789 12.392 1.00 0.00 O ATOM 0 H GLU A 36 12.299 -5.294 14.562 1.00 0.00 H new ATOM 0 HA GLU A 36 14.259 -7.382 14.320 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.808 -7.753 14.102 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.732 -6.635 12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.615 -8.978 11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.027 -8.168 11.335 1.00 0.00 H new ATOM 581 N SER A 37 14.028 -5.192 11.828 1.00 0.00 N ATOM 582 CA SER A 37 14.612 -4.765 10.534 1.00 0.00 C ATOM 583 C SER A 37 14.935 -3.255 10.502 1.00 0.00 C ATOM 584 O SER A 37 15.481 -2.757 9.505 1.00 0.00 O ATOM 585 CB SER A 37 13.623 -5.130 9.397 1.00 0.00 C ATOM 586 OG SER A 37 14.143 -4.822 8.108 1.00 0.00 O ATOM 0 H SER A 37 13.214 -4.645 12.108 1.00 0.00 H new ATOM 0 HA SER A 37 15.559 -5.288 10.397 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.391 -6.194 9.448 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.687 -4.592 9.546 1.00 0.00 H new ATOM 0 HG SER A 37 14.728 -4.038 8.170 1.00 0.00 H new ATOM 592 N GLY A 38 14.637 -2.537 11.599 1.00 0.00 N ATOM 593 CA GLY A 38 14.783 -1.083 11.636 1.00 0.00 C ATOM 594 C GLY A 38 13.519 -0.418 11.134 1.00 0.00 C ATOM 595 O GLY A 38 12.476 -0.535 11.765 1.00 0.00 O ATOM 0 H GLY A 38 14.294 -2.946 12.468 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.994 -0.757 12.654 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.631 -0.780 11.022 1.00 0.00 H new ATOM 599 N ALA A 39 13.606 0.278 9.998 1.00 0.00 N ATOM 600 CA ALA A 39 12.426 0.835 9.313 1.00 0.00 C ATOM 601 C ALA A 39 11.636 -0.276 8.591 1.00 0.00 C ATOM 602 O ALA A 39 12.220 -1.249 8.110 1.00 0.00 O ATOM 603 CB ALA A 39 12.845 1.938 8.319 1.00 0.00 C ATOM 0 H ALA A 39 14.489 0.473 9.525 1.00 0.00 H new ATOM 0 HA ALA A 39 11.775 1.280 10.065 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.960 2.337 7.823 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.351 2.739 8.857 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.520 1.518 7.573 1.00 0.00 H new ATOM 609 N TYR A 40 10.308 -0.131 8.566 1.00 0.00 N ATOM 610 CA TYR A 40 9.417 -0.938 7.702 1.00 0.00 C ATOM 611 C TYR A 40 8.145 -0.130 7.406 1.00 0.00 C ATOM 612 O TYR A 40 7.936 0.940 7.998 1.00 0.00 O ATOM 613 CB TYR A 40 9.071 -2.328 8.349 1.00 0.00 C ATOM 614 CG TYR A 40 7.895 -2.354 9.345 1.00 0.00 C ATOM 615 CD1 TYR A 40 8.049 -1.898 10.654 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.625 -2.845 8.974 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.997 -1.927 11.544 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.580 -2.863 9.867 1.00 0.00 C ATOM 619 CZ TYR A 40 5.768 -2.408 11.146 1.00 0.00 C ATOM 620 OH TYR A 40 4.717 -2.440 12.033 1.00 0.00 O ATOM 0 H TYR A 40 9.812 0.548 9.142 1.00 0.00 H new ATOM 0 HA TYR A 40 9.936 -1.155 6.769 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.853 -3.032 7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.960 -2.695 8.862 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.007 -1.516 10.975 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.471 -3.213 7.970 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.136 -1.572 12.555 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.613 -3.235 9.561 1.00 0.00 H new ATOM 0 HH TYR A 40 4.052 -3.093 11.729 1.00 0.00 H new ATOM 630 N VAL A 41 7.285 -0.631 6.498 1.00 0.00 N ATOM 631 CA VAL A 41 5.976 -0.007 6.228 1.00 0.00 C ATOM 632 C VAL A 41 4.861 -1.050 6.427 1.00 0.00 C ATOM 633 O VAL A 41 4.924 -2.159 5.876 1.00 0.00 O ATOM 634 CB VAL A 41 5.859 0.602 4.778 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.613 1.528 4.659 1.00 0.00 C ATOM 636 CG2 VAL A 41 7.141 1.349 4.361 1.00 0.00 C ATOM 0 H VAL A 41 7.473 -1.464 5.940 1.00 0.00 H new ATOM 0 HA VAL A 41 5.873 0.820 6.931 1.00 0.00 H new ATOM 0 HB VAL A 41 5.732 -0.233 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.557 1.934 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.711 0.953 4.870 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.698 2.346 5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.017 1.752 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.330 2.165 5.059 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.985 0.659 4.373 1.00 0.00 H new ATOM 646 N HIS A 42 3.864 -0.683 7.237 1.00 0.00 N ATOM 647 CA HIS A 42 2.643 -1.455 7.434 1.00 0.00 C ATOM 648 C HIS A 42 1.665 -1.087 6.309 1.00 0.00 C ATOM 649 O HIS A 42 1.349 0.096 6.130 1.00 0.00 O ATOM 650 CB HIS A 42 2.035 -1.112 8.829 1.00 0.00 C ATOM 651 CG HIS A 42 0.708 -1.784 9.155 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.555 -2.705 10.171 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.536 -1.618 8.633 1.00 0.00 C ATOM 654 CE1 HIS A 42 -0.709 -3.075 10.244 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.390 -2.427 9.322 1.00 0.00 N ATOM 0 H HIS A 42 3.888 0.178 7.784 1.00 0.00 H new ATOM 0 HA HIS A 42 2.848 -2.525 7.405 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.758 -1.386 9.597 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.899 -0.032 8.890 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.304 -3.047 10.773 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.801 -0.962 7.817 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.117 -3.790 10.943 1.00 0.00 H new ATOM 664 N PHE A 43 1.206 -2.089 5.548 1.00 0.00 N ATOM 665 CA PHE A 43 0.151 -1.917 4.537 1.00 0.00 C ATOM 666 C PHE A 43 -1.085 -2.741 4.940 1.00 0.00 C ATOM 667 O PHE A 43 -0.948 -3.859 5.450 1.00 0.00 O ATOM 668 CB PHE A 43 0.656 -2.367 3.148 1.00 0.00 C ATOM 669 CG PHE A 43 1.874 -1.597 2.619 1.00 0.00 C ATOM 670 CD1 PHE A 43 1.725 -0.339 2.024 1.00 0.00 C ATOM 671 CD2 PHE A 43 3.162 -2.140 2.694 1.00 0.00 C ATOM 672 CE1 PHE A 43 2.819 0.344 1.522 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.255 -1.454 2.195 1.00 0.00 C ATOM 674 CZ PHE A 43 4.083 -0.213 1.605 1.00 0.00 C ATOM 0 H PHE A 43 1.556 -3.045 5.615 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.118 -0.862 4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.908 -3.427 3.195 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.159 -2.265 2.431 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.743 0.105 1.956 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.305 -3.109 3.148 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.686 1.313 1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.242 -1.886 2.266 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.935 0.320 1.210 1.00 0.00 H new ATOM 684 N ASP A 44 -2.284 -2.177 4.734 1.00 0.00 N ATOM 685 CA ASP A 44 -3.555 -2.913 4.919 1.00 0.00 C ATOM 686 C ASP A 44 -4.579 -2.482 3.863 1.00 0.00 C ATOM 687 O ASP A 44 -4.702 -1.298 3.543 1.00 0.00 O ATOM 688 CB ASP A 44 -4.114 -2.782 6.366 1.00 0.00 C ATOM 689 CG ASP A 44 -4.361 -1.352 6.860 1.00 0.00 C ATOM 690 OD1 ASP A 44 -5.446 -0.793 6.593 1.00 0.00 O ATOM 691 OD2 ASP A 44 -3.479 -0.793 7.543 1.00 0.00 O ATOM 0 H ASP A 44 -2.406 -1.209 4.438 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.348 -3.974 4.777 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.053 -3.333 6.424 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.417 -3.267 7.050 1.00 0.00 H new ATOM 696 N MET A 45 -5.298 -3.477 3.319 1.00 0.00 N ATOM 697 CA MET A 45 -6.234 -3.308 2.198 1.00 0.00 C ATOM 698 C MET A 45 -7.641 -3.791 2.575 1.00 0.00 C ATOM 699 O MET A 45 -7.784 -4.836 3.202 1.00 0.00 O ATOM 700 CB MET A 45 -5.729 -4.074 0.945 1.00 0.00 C ATOM 701 CG MET A 45 -4.372 -3.601 0.401 1.00 0.00 C ATOM 702 SD MET A 45 -3.888 -4.473 -1.107 1.00 0.00 S ATOM 703 CE MET A 45 -5.204 -4.010 -2.234 1.00 0.00 C ATOM 0 H MET A 45 -5.243 -4.439 3.653 1.00 0.00 H new ATOM 0 HA MET A 45 -6.286 -2.244 1.966 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.657 -5.134 1.190 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.474 -3.980 0.155 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.418 -2.531 0.199 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.607 -3.749 1.163 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.853 -4.868 -2.407 1.00 0.00 H new ATOM 0 HE2 MET A 45 -5.786 -3.197 -1.800 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.774 -3.683 -3.181 1.00 0.00 H new ATOM 713 N ASP A 46 -8.670 -3.012 2.191 1.00 0.00 N ATOM 714 CA ASP A 46 -10.091 -3.408 2.352 1.00 0.00 C ATOM 715 C ASP A 46 -11.009 -2.536 1.474 1.00 0.00 C ATOM 716 O ASP A 46 -10.604 -1.479 0.999 1.00 0.00 O ATOM 717 CB ASP A 46 -10.553 -3.333 3.837 1.00 0.00 C ATOM 718 CG ASP A 46 -10.660 -1.894 4.380 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.619 -1.221 4.515 1.00 0.00 O ATOM 720 OD2 ASP A 46 -11.789 -1.429 4.662 1.00 0.00 O ATOM 0 H ASP A 46 -8.546 -2.095 1.762 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.168 -4.446 2.028 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.523 -3.821 3.932 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.852 -3.894 4.455 1.00 0.00 H new ATOM 725 N GLY A 47 -12.241 -3.014 1.256 1.00 0.00 N ATOM 726 CA GLY A 47 -13.263 -2.281 0.497 1.00 0.00 C ATOM 727 C GLY A 47 -14.142 -3.250 -0.279 1.00 0.00 C ATOM 728 O GLY A 47 -14.602 -4.247 0.292 1.00 0.00 O ATOM 0 H GLY A 47 -12.558 -3.920 1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.875 -1.689 1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.784 -1.583 -0.190 1.00 0.00 H new ATOM 732 N GLU A 48 -14.336 -2.984 -1.583 1.00 0.00 N ATOM 733 CA GLU A 48 -15.039 -3.897 -2.511 1.00 0.00 C ATOM 734 C GLU A 48 -14.627 -3.597 -3.958 1.00 0.00 C ATOM 735 O GLU A 48 -14.047 -2.550 -4.239 1.00 0.00 O ATOM 736 CB GLU A 48 -16.582 -3.871 -2.310 1.00 0.00 C ATOM 737 CG GLU A 48 -17.242 -2.491 -2.390 1.00 0.00 C ATOM 738 CD GLU A 48 -18.734 -2.522 -2.028 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.570 -2.732 -2.924 1.00 0.00 O ATOM 740 OE2 GLU A 48 -19.079 -2.326 -0.842 1.00 0.00 O ATOM 0 H GLU A 48 -14.009 -2.126 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.734 -4.918 -2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -17.038 -4.515 -3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -16.810 -4.306 -1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -16.724 -1.806 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -17.126 -2.096 -3.399 1.00 0.00 H new ATOM 747 N ILE A 49 -14.952 -4.510 -4.892 1.00 0.00 N ATOM 748 CA ILE A 49 -14.305 -4.561 -6.223 1.00 0.00 C ATOM 749 C ILE A 49 -15.316 -5.257 -7.140 1.00 0.00 C ATOM 750 O ILE A 49 -15.493 -6.480 -7.015 1.00 0.00 O ATOM 751 CB ILE A 49 -12.927 -5.335 -6.284 1.00 0.00 C ATOM 752 CG1 ILE A 49 -11.820 -4.656 -5.417 1.00 0.00 C ATOM 753 CG2 ILE A 49 -12.452 -5.458 -7.762 1.00 0.00 C ATOM 754 CD1 ILE A 49 -10.531 -5.448 -5.303 1.00 0.00 C ATOM 0 H ILE A 49 -15.663 -5.228 -4.751 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.052 -3.542 -6.516 1.00 0.00 H new ATOM 0 HB ILE A 49 -13.095 -6.328 -5.867 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.594 -3.678 -5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.215 -4.485 -4.416 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.502 -5.992 -7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -13.197 -6.006 -8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -12.324 -4.462 -8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.821 -4.900 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.738 -6.417 -4.848 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.107 -5.597 -6.296 1.00 0.00 H new ATOM 766 N ASP A 50 -15.988 -4.488 -8.019 1.00 0.00 N ATOM 767 CA ASP A 50 -17.137 -4.967 -8.822 1.00 0.00 C ATOM 768 C ASP A 50 -18.270 -5.416 -7.855 1.00 0.00 C ATOM 769 O ASP A 50 -19.009 -6.367 -8.110 1.00 0.00 O ATOM 770 CB ASP A 50 -16.675 -6.094 -9.804 1.00 0.00 C ATOM 771 CG ASP A 50 -17.720 -6.471 -10.871 1.00 0.00 C ATOM 772 OD1 ASP A 50 -17.855 -5.730 -11.866 1.00 0.00 O ATOM 773 OD2 ASP A 50 -18.414 -7.503 -10.721 1.00 0.00 O ATOM 0 H ASP A 50 -15.750 -3.512 -8.195 1.00 0.00 H new ATOM 0 HA ASP A 50 -17.536 -4.168 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -15.762 -5.772 -10.304 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -16.425 -6.984 -9.226 1.00 0.00 H new ATOM 778 N GLY A 51 -18.386 -4.685 -6.725 1.00 0.00 N ATOM 779 CA GLY A 51 -19.316 -5.033 -5.646 1.00 0.00 C ATOM 780 C GLY A 51 -18.779 -6.068 -4.651 1.00 0.00 C ATOM 781 O GLY A 51 -19.269 -6.137 -3.520 1.00 0.00 O ATOM 0 H GLY A 51 -17.838 -3.844 -6.543 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -19.576 -4.125 -5.101 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.237 -5.415 -6.087 1.00 0.00 H new ATOM 785 N LYS A 52 -17.779 -6.879 -5.067 1.00 0.00 N ATOM 786 CA LYS A 52 -17.250 -8.012 -4.273 1.00 0.00 C ATOM 787 C LYS A 52 -16.301 -7.515 -3.153 1.00 0.00 C ATOM 788 O LYS A 52 -15.217 -7.003 -3.463 1.00 0.00 O ATOM 789 CB LYS A 52 -16.490 -8.983 -5.218 1.00 0.00 C ATOM 790 CG LYS A 52 -17.338 -9.551 -6.379 1.00 0.00 C ATOM 791 CD LYS A 52 -16.492 -10.370 -7.386 1.00 0.00 C ATOM 792 CE LYS A 52 -17.336 -10.990 -8.512 1.00 0.00 C ATOM 793 NZ LYS A 52 -18.063 -9.968 -9.312 1.00 0.00 N ATOM 0 H LYS A 52 -17.314 -6.765 -5.968 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.085 -8.529 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.629 -8.462 -5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.103 -9.814 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.127 -10.184 -5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.827 -8.730 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -15.731 -9.724 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.969 -11.163 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.688 -11.568 -9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.055 -11.687 -8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.390 -10.393 -10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.882 -9.622 -8.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.426 -9.173 -9.521 1.00 0.00 H new ATOM 807 N PRO A 53 -16.678 -7.676 -1.839 1.00 0.00 N ATOM 808 CA PRO A 53 -15.898 -7.129 -0.696 1.00 0.00 C ATOM 809 C PRO A 53 -14.617 -7.937 -0.394 1.00 0.00 C ATOM 810 O PRO A 53 -14.537 -9.128 -0.715 1.00 0.00 O ATOM 811 CB PRO A 53 -16.910 -7.203 0.471 1.00 0.00 C ATOM 812 CG PRO A 53 -17.747 -8.405 0.151 1.00 0.00 C ATOM 813 CD PRO A 53 -17.887 -8.414 -1.361 1.00 0.00 C ATOM 0 HA PRO A 53 -15.524 -6.124 -0.891 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.405 -7.313 1.431 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.516 -6.299 0.531 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.272 -9.319 0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.722 -8.344 0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -17.916 -9.431 -1.753 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -18.807 -7.923 -1.680 1.00 0.00 H new ATOM 821 N PHE A 54 -13.613 -7.276 0.206 1.00 0.00 N ATOM 822 CA PHE A 54 -12.336 -7.926 0.576 1.00 0.00 C ATOM 823 C PHE A 54 -11.678 -7.222 1.776 1.00 0.00 C ATOM 824 O PHE A 54 -11.946 -6.040 2.037 1.00 0.00 O ATOM 825 CB PHE A 54 -11.358 -7.916 -0.634 1.00 0.00 C ATOM 826 CG PHE A 54 -10.810 -6.534 -1.015 1.00 0.00 C ATOM 827 CD1 PHE A 54 -11.633 -5.572 -1.594 1.00 0.00 C ATOM 828 CD2 PHE A 54 -9.477 -6.198 -0.769 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.141 -4.327 -1.922 1.00 0.00 C ATOM 830 CE2 PHE A 54 -8.989 -4.953 -1.102 1.00 0.00 C ATOM 831 CZ PHE A 54 -9.825 -4.017 -1.672 1.00 0.00 C ATOM 0 H PHE A 54 -13.658 -6.286 0.448 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.556 -8.955 0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -10.518 -8.573 -0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.870 -8.338 -1.499 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.670 -5.804 -1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -8.820 -6.923 -0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -11.791 -3.593 -2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -7.953 -4.711 -0.917 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.445 -3.038 -1.923 1.00 0.00 H new ATOM 841 N SER A 55 -10.822 -7.972 2.495 1.00 0.00 N ATOM 842 CA SER A 55 -9.917 -7.429 3.515 1.00 0.00 C ATOM 843 C SER A 55 -8.668 -8.332 3.659 1.00 0.00 C ATOM 844 O SER A 55 -8.780 -9.539 3.888 1.00 0.00 O ATOM 845 CB SER A 55 -10.655 -7.261 4.867 1.00 0.00 C ATOM 846 OG SER A 55 -11.306 -8.459 5.264 1.00 0.00 O ATOM 0 H SER A 55 -10.742 -8.982 2.380 1.00 0.00 H new ATOM 0 HA SER A 55 -9.583 -6.441 3.199 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.942 -6.963 5.636 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.388 -6.459 4.784 1.00 0.00 H new ATOM 0 HG SER A 55 -10.794 -9.231 4.944 1.00 0.00 H new ATOM 852 N ASP A 56 -7.485 -7.718 3.498 1.00 0.00 N ATOM 853 CA ASP A 56 -6.158 -8.366 3.620 1.00 0.00 C ATOM 854 C ASP A 56 -5.174 -7.354 4.238 1.00 0.00 C ATOM 855 O ASP A 56 -5.487 -6.167 4.314 1.00 0.00 O ATOM 856 CB ASP A 56 -5.664 -8.846 2.221 1.00 0.00 C ATOM 857 CG ASP A 56 -4.311 -9.589 2.260 1.00 0.00 C ATOM 858 OD1 ASP A 56 -4.257 -10.705 2.817 1.00 0.00 O ATOM 859 OD2 ASP A 56 -3.288 -9.059 1.759 1.00 0.00 O ATOM 0 H ASP A 56 -7.417 -6.726 3.272 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.225 -9.242 4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.417 -9.503 1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.575 -7.983 1.561 1.00 0.00 H new ATOM 864 N SER A 57 -4.008 -7.819 4.712 1.00 0.00 N ATOM 865 CA SER A 57 -2.956 -6.935 5.249 1.00 0.00 C ATOM 866 C SER A 57 -1.572 -7.582 5.094 1.00 0.00 C ATOM 867 O SER A 57 -1.429 -8.797 5.255 1.00 0.00 O ATOM 868 CB SER A 57 -3.253 -6.601 6.729 1.00 0.00 C ATOM 869 OG SER A 57 -3.410 -7.776 7.510 1.00 0.00 O ATOM 0 H SER A 57 -3.767 -8.810 4.735 1.00 0.00 H new ATOM 0 HA SER A 57 -2.951 -6.005 4.680 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.441 -5.999 7.136 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.159 -5.998 6.792 1.00 0.00 H new ATOM 0 HG SER A 57 -3.595 -7.528 8.440 1.00 0.00 H new ATOM 875 N PHE A 58 -0.560 -6.755 4.774 1.00 0.00 N ATOM 876 CA PHE A 58 0.836 -7.197 4.592 1.00 0.00 C ATOM 877 C PHE A 58 1.804 -6.122 5.112 1.00 0.00 C ATOM 878 O PHE A 58 1.574 -4.933 4.925 1.00 0.00 O ATOM 879 CB PHE A 58 1.121 -7.540 3.097 1.00 0.00 C ATOM 880 CG PHE A 58 0.914 -6.401 2.078 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.367 -5.940 1.755 1.00 0.00 C ATOM 882 CD2 PHE A 58 1.999 -5.812 1.420 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.553 -4.941 0.813 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.811 -4.818 0.478 1.00 0.00 C ATOM 885 CZ PHE A 58 0.536 -4.380 0.175 1.00 0.00 C ATOM 0 H PHE A 58 -0.689 -5.753 4.633 1.00 0.00 H new ATOM 0 HA PHE A 58 0.992 -8.107 5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.151 -7.886 3.017 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.481 -8.375 2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.226 -6.370 2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.002 -6.140 1.652 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.551 -4.601 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.663 -4.382 -0.023 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.391 -3.601 -0.559 1.00 0.00 H new ATOM 895 N GLU A 59 2.892 -6.557 5.758 1.00 0.00 N ATOM 896 CA GLU A 59 3.908 -5.660 6.342 1.00 0.00 C ATOM 897 C GLU A 59 5.271 -6.051 5.784 1.00 0.00 C ATOM 898 O GLU A 59 5.685 -7.212 5.885 1.00 0.00 O ATOM 899 CB GLU A 59 3.897 -5.736 7.892 1.00 0.00 C ATOM 900 CG GLU A 59 2.626 -5.147 8.532 1.00 0.00 C ATOM 901 CD GLU A 59 2.520 -5.395 10.044 1.00 0.00 C ATOM 902 OE1 GLU A 59 2.059 -6.481 10.447 1.00 0.00 O ATOM 903 OE2 GLU A 59 2.883 -4.505 10.839 1.00 0.00 O ATOM 0 H GLU A 59 3.098 -7.547 5.894 1.00 0.00 H new ATOM 0 HA GLU A 59 3.683 -4.628 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.997 -6.778 8.197 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.767 -5.206 8.279 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.602 -4.073 8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.752 -5.575 8.041 1.00 0.00 H new ATOM 910 N LEU A 60 5.967 -5.074 5.202 1.00 0.00 N ATOM 911 CA LEU A 60 7.205 -5.300 4.456 1.00 0.00 C ATOM 912 C LEU A 60 8.333 -4.489 5.100 1.00 0.00 C ATOM 913 O LEU A 60 8.133 -3.303 5.380 1.00 0.00 O ATOM 914 CB LEU A 60 7.011 -4.882 2.976 1.00 0.00 C ATOM 915 CG LEU A 60 5.890 -5.635 2.193 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.754 -5.096 0.752 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.136 -7.165 2.192 1.00 0.00 C ATOM 0 H LEU A 60 5.685 -4.094 5.236 1.00 0.00 H new ATOM 0 HA LEU A 60 7.465 -6.358 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.793 -3.814 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.955 -5.029 2.451 1.00 0.00 H new ATOM 0 HG LEU A 60 4.948 -5.449 2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.965 -5.641 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.503 -4.036 0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.697 -5.231 0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.339 -7.661 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.094 -7.379 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.149 -7.532 3.218 1.00 0.00 H new ATOM 929 N PRO A 61 9.535 -5.109 5.348 1.00 0.00 N ATOM 930 CA PRO A 61 10.722 -4.379 5.847 1.00 0.00 C ATOM 931 C PRO A 61 11.203 -3.337 4.825 1.00 0.00 C ATOM 932 O PRO A 61 10.853 -3.424 3.651 1.00 0.00 O ATOM 933 CB PRO A 61 11.771 -5.499 6.066 1.00 0.00 C ATOM 934 CG PRO A 61 11.344 -6.599 5.151 1.00 0.00 C ATOM 935 CD PRO A 61 9.832 -6.556 5.160 1.00 0.00 C ATOM 0 HA PRO A 61 10.524 -3.811 6.756 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.777 -5.153 5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.786 -5.830 7.104 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.736 -6.449 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.713 -7.565 5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.413 -6.936 4.228 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.417 -7.161 5.966 1.00 0.00 H new ATOM 943 N ARG A 62 11.994 -2.357 5.289 1.00 0.00 N ATOM 944 CA ARG A 62 12.575 -1.301 4.426 1.00 0.00 C ATOM 945 C ARG A 62 13.318 -1.861 3.190 1.00 0.00 C ATOM 946 O ARG A 62 13.393 -1.198 2.147 1.00 0.00 O ATOM 947 CB ARG A 62 13.515 -0.400 5.258 1.00 0.00 C ATOM 948 CG ARG A 62 14.721 -1.123 5.888 1.00 0.00 C ATOM 949 CD ARG A 62 15.590 -0.178 6.727 1.00 0.00 C ATOM 950 NE ARG A 62 16.759 -0.862 7.290 1.00 0.00 N ATOM 951 CZ ARG A 62 17.492 -0.416 8.319 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.153 0.688 8.972 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.555 -1.088 8.706 1.00 0.00 N ATOM 0 H ARG A 62 12.252 -2.269 6.272 1.00 0.00 H new ATOM 0 HA ARG A 62 11.742 -0.713 4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.885 0.402 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.935 0.068 6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.365 -1.940 6.516 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.328 -1.568 5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.921 0.656 6.108 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.992 0.243 7.535 1.00 0.00 H new ATOM 0 HE ARG A 62 17.036 -1.747 6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.323 1.211 8.693 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.722 1.014 9.753 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.819 -1.947 8.223 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.115 -0.750 9.489 1.00 0.00 H new ATOM 967 N ASP A 63 13.854 -3.085 3.333 1.00 0.00 N ATOM 968 CA ASP A 63 14.547 -3.808 2.257 1.00 0.00 C ATOM 969 C ASP A 63 13.603 -4.145 1.078 1.00 0.00 C ATOM 970 O ASP A 63 14.007 -4.054 -0.079 1.00 0.00 O ATOM 971 CB ASP A 63 15.176 -5.106 2.829 1.00 0.00 C ATOM 972 CG ASP A 63 15.998 -5.909 1.794 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.067 -5.420 1.367 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.576 -7.015 1.390 1.00 0.00 O ATOM 0 H ASP A 63 13.817 -3.605 4.210 1.00 0.00 H new ATOM 0 HA ASP A 63 15.329 -3.157 1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.820 -4.847 3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.382 -5.742 3.221 1.00 0.00 H new ATOM 979 N THR A 64 12.339 -4.503 1.380 1.00 0.00 N ATOM 980 CA THR A 64 11.381 -5.025 0.372 1.00 0.00 C ATOM 981 C THR A 64 10.053 -4.234 0.369 1.00 0.00 C ATOM 982 O THR A 64 9.089 -4.661 -0.274 1.00 0.00 O ATOM 983 CB THR A 64 11.089 -6.549 0.611 1.00 0.00 C ATOM 984 OG1 THR A 64 10.623 -6.747 1.950 1.00 0.00 O ATOM 985 CG2 THR A 64 12.324 -7.435 0.360 1.00 0.00 C ATOM 0 H THR A 64 11.951 -4.441 2.321 1.00 0.00 H new ATOM 0 HA THR A 64 11.852 -4.899 -0.603 1.00 0.00 H new ATOM 0 HB THR A 64 10.324 -6.846 -0.106 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.440 -7.699 2.095 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.066 -8.479 0.540 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.654 -7.315 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.127 -7.139 1.034 1.00 0.00 H new ATOM 993 N ALA A 65 10.030 -3.064 1.042 1.00 0.00 N ATOM 994 CA ALA A 65 8.814 -2.213 1.156 1.00 0.00 C ATOM 995 C ALA A 65 8.334 -1.714 -0.218 1.00 0.00 C ATOM 996 O ALA A 65 7.134 -1.571 -0.459 1.00 0.00 O ATOM 997 CB ALA A 65 9.078 -1.031 2.097 1.00 0.00 C ATOM 0 H ALA A 65 10.845 -2.680 1.520 1.00 0.00 H new ATOM 0 HA ALA A 65 8.018 -2.828 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.180 -0.417 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.344 -1.405 3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.898 -0.429 1.704 1.00 0.00 H new ATOM 1003 N PHE A 66 9.308 -1.460 -1.098 1.00 0.00 N ATOM 1004 CA PHE A 66 9.082 -0.983 -2.479 1.00 0.00 C ATOM 1005 C PHE A 66 8.449 -2.048 -3.409 1.00 0.00 C ATOM 1006 O PHE A 66 8.007 -1.714 -4.515 1.00 0.00 O ATOM 1007 CB PHE A 66 10.425 -0.513 -3.077 1.00 0.00 C ATOM 1008 CG PHE A 66 11.180 0.483 -2.200 1.00 0.00 C ATOM 1009 CD1 PHE A 66 10.810 1.825 -2.163 1.00 0.00 C ATOM 1010 CD2 PHE A 66 12.252 0.069 -1.406 1.00 0.00 C ATOM 1011 CE1 PHE A 66 11.489 2.719 -1.367 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.929 0.968 -0.608 1.00 0.00 C ATOM 1013 CZ PHE A 66 12.549 2.292 -0.589 1.00 0.00 C ATOM 0 H PHE A 66 10.296 -1.580 -0.873 1.00 0.00 H new ATOM 0 HA PHE A 66 8.367 -0.162 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.059 -1.383 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.238 -0.057 -4.049 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.982 2.168 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.555 -0.968 -1.417 1.00 0.00 H new ATOM 0 HE1 PHE A 66 11.193 3.757 -1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.756 0.634 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.079 2.997 0.034 1.00 0.00 H new ATOM 1023 N ASN A 67 8.398 -3.315 -2.958 1.00 0.00 N ATOM 1024 CA ASN A 67 7.754 -4.423 -3.715 1.00 0.00 C ATOM 1025 C ASN A 67 6.227 -4.467 -3.477 1.00 0.00 C ATOM 1026 O ASN A 67 5.537 -5.314 -4.057 1.00 0.00 O ATOM 1027 CB ASN A 67 8.395 -5.780 -3.326 1.00 0.00 C ATOM 1028 CG ASN A 67 9.853 -5.904 -3.774 1.00 0.00 C ATOM 1029 OD1 ASN A 67 10.147 -6.388 -4.866 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.768 -5.455 -2.942 1.00 0.00 N ATOM 0 H ASN A 67 8.797 -3.606 -2.066 1.00 0.00 H new ATOM 0 HA ASN A 67 7.918 -4.238 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.341 -5.904 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.815 -6.590 -3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.755 -5.503 -3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.490 -5.059 -2.044 1.00 0.00 H new ATOM 1037 N PHE A 68 5.718 -3.506 -2.673 1.00 0.00 N ATOM 1038 CA PHE A 68 4.314 -3.441 -2.201 1.00 0.00 C ATOM 1039 C PHE A 68 3.276 -3.468 -3.330 1.00 0.00 C ATOM 1040 O PHE A 68 2.138 -3.890 -3.110 1.00 0.00 O ATOM 1041 CB PHE A 68 4.094 -2.150 -1.366 1.00 0.00 C ATOM 1042 CG PHE A 68 4.085 -0.843 -2.187 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.238 -0.383 -2.826 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.913 -0.096 -2.338 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.226 0.771 -3.584 1.00 0.00 C ATOM 1046 CE2 PHE A 68 2.903 1.060 -3.092 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.059 1.494 -3.718 1.00 0.00 C ATOM 0 H PHE A 68 6.286 -2.734 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 68 4.164 -4.337 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.146 -2.235 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.878 -2.084 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.157 -0.941 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.004 -0.428 -1.859 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.129 1.107 -4.071 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.990 1.628 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.047 2.397 -4.310 1.00 0.00 H new ATOM 1057 N ALA A 69 3.675 -3.020 -4.540 1.00 0.00 N ATOM 1058 CA ALA A 69 2.733 -2.732 -5.626 1.00 0.00 C ATOM 1059 C ALA A 69 2.234 -4.040 -6.243 1.00 0.00 C ATOM 1060 O ALA A 69 1.086 -4.133 -6.659 1.00 0.00 O ATOM 1061 CB ALA A 69 3.401 -1.832 -6.682 1.00 0.00 C ATOM 0 H ALA A 69 4.651 -2.851 -4.783 1.00 0.00 H new ATOM 0 HA ALA A 69 1.872 -2.196 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.692 -1.624 -7.484 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.709 -0.895 -6.219 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.275 -2.339 -7.092 1.00 0.00 H new ATOM 1067 N SER A 70 3.119 -5.051 -6.262 1.00 0.00 N ATOM 1068 CA SER A 70 2.808 -6.383 -6.793 1.00 0.00 C ATOM 1069 C SER A 70 1.810 -7.110 -5.873 1.00 0.00 C ATOM 1070 O SER A 70 0.906 -7.791 -6.353 1.00 0.00 O ATOM 1071 CB SER A 70 4.106 -7.206 -6.932 1.00 0.00 C ATOM 1072 OG SER A 70 5.043 -6.554 -7.778 1.00 0.00 O ATOM 0 H SER A 70 4.072 -4.964 -5.908 1.00 0.00 H new ATOM 0 HA SER A 70 2.350 -6.273 -7.776 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.548 -7.361 -5.948 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.873 -8.191 -7.335 1.00 0.00 H new ATOM 0 HG SER A 70 5.856 -7.097 -7.846 1.00 0.00 H new ATOM 1078 N ASP A 71 1.980 -6.926 -4.549 1.00 0.00 N ATOM 1079 CA ASP A 71 1.121 -7.568 -3.532 1.00 0.00 C ATOM 1080 C ASP A 71 -0.271 -6.917 -3.532 1.00 0.00 C ATOM 1081 O ASP A 71 -1.296 -7.604 -3.529 1.00 0.00 O ATOM 1082 CB ASP A 71 1.753 -7.442 -2.125 1.00 0.00 C ATOM 1083 CG ASP A 71 3.215 -7.901 -2.077 1.00 0.00 C ATOM 1084 OD1 ASP A 71 3.476 -9.122 -2.078 1.00 0.00 O ATOM 1085 OD2 ASP A 71 4.117 -7.041 -2.067 1.00 0.00 O ATOM 0 H ASP A 71 2.711 -6.333 -4.156 1.00 0.00 H new ATOM 0 HA ASP A 71 1.027 -8.625 -3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.694 -6.404 -1.799 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.170 -8.032 -1.418 1.00 0.00 H new ATOM 1090 N ALA A 72 -0.262 -5.571 -3.542 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.470 -4.736 -3.569 1.00 0.00 C ATOM 1092 C ALA A 72 -2.346 -5.047 -4.798 1.00 0.00 C ATOM 1093 O ALA A 72 -3.544 -5.316 -4.663 1.00 0.00 O ATOM 1094 CB ALA A 72 -1.076 -3.246 -3.527 1.00 0.00 C ATOM 0 H ALA A 72 0.601 -5.027 -3.531 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.068 -4.966 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.976 -2.631 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.518 -3.043 -2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.455 -3.009 -4.391 1.00 0.00 H new ATOM 1100 N THR A 73 -1.731 -5.047 -5.992 1.00 0.00 N ATOM 1101 CA THR A 73 -2.429 -5.336 -7.254 1.00 0.00 C ATOM 1102 C THR A 73 -2.858 -6.827 -7.340 1.00 0.00 C ATOM 1103 O THR A 73 -3.809 -7.151 -8.036 1.00 0.00 O ATOM 1104 CB THR A 73 -1.538 -4.934 -8.479 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.121 -3.562 -8.334 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.269 -5.083 -9.828 1.00 0.00 C ATOM 0 H THR A 73 -0.738 -4.847 -6.109 1.00 0.00 H new ATOM 0 HA THR A 73 -3.338 -4.735 -7.279 1.00 0.00 H new ATOM 0 HB THR A 73 -0.685 -5.612 -8.487 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.329 -3.520 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.601 -4.790 -10.638 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.572 -6.121 -9.965 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.152 -4.443 -9.836 1.00 0.00 H new ATOM 1114 N ARG A 74 -2.177 -7.717 -6.588 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.506 -9.167 -6.574 1.00 0.00 C ATOM 1116 C ARG A 74 -3.802 -9.420 -5.767 1.00 0.00 C ATOM 1117 O ARG A 74 -4.610 -10.291 -6.112 1.00 0.00 O ATOM 1118 CB ARG A 74 -1.319 -9.982 -6.006 1.00 0.00 C ATOM 1119 CG ARG A 74 -1.464 -11.515 -6.104 1.00 0.00 C ATOM 1120 CD ARG A 74 -0.173 -12.259 -5.706 1.00 0.00 C ATOM 1121 NE ARG A 74 0.219 -12.015 -4.300 1.00 0.00 N ATOM 1122 CZ ARG A 74 1.341 -11.383 -3.895 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.152 -10.805 -4.768 1.00 0.00 N ATOM 1124 NH2 ARG A 74 1.615 -11.293 -2.605 1.00 0.00 N ATOM 0 H ARG A 74 -1.397 -7.462 -5.982 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.681 -9.499 -7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.411 -9.685 -6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -1.183 -9.713 -4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.280 -11.841 -5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.736 -11.786 -7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.314 -13.329 -5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.638 -11.947 -6.364 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.413 -12.353 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.933 -10.833 -5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.996 -10.332 -4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.980 -11.700 -1.919 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.462 -10.816 -2.296 1.00 0.00 H new ATOM 1138 N VAL A 75 -3.997 -8.608 -4.714 1.00 0.00 N ATOM 1139 CA VAL A 75 -5.219 -8.616 -3.877 1.00 0.00 C ATOM 1140 C VAL A 75 -6.383 -7.944 -4.639 1.00 0.00 C ATOM 1141 O VAL A 75 -7.551 -8.326 -4.499 1.00 0.00 O ATOM 1142 CB VAL A 75 -4.955 -7.873 -2.508 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -6.229 -7.718 -1.643 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -3.856 -8.598 -1.711 1.00 0.00 C ATOM 0 H VAL A 75 -3.307 -7.920 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.490 -9.649 -3.659 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.624 -6.865 -2.760 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.979 -7.200 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.974 -7.141 -2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.633 -8.703 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.684 -8.075 -0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.170 -9.621 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.934 -8.611 -2.292 1.00 0.00 H new ATOM 1154 N ALA A 76 -6.025 -6.949 -5.467 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.992 -6.112 -6.186 1.00 0.00 C ATOM 1156 C ALA A 76 -7.592 -6.897 -7.373 1.00 0.00 C ATOM 1157 O ALA A 76 -8.810 -7.037 -7.512 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.286 -4.838 -6.652 1.00 0.00 C ATOM 0 H ALA A 76 -5.053 -6.704 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.817 -5.835 -5.529 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.993 -4.206 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.901 -4.298 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.460 -5.101 -7.313 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.679 -7.408 -8.214 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.986 -8.274 -9.371 1.00 0.00 C ATOM 1166 C GLN A 77 -7.641 -9.602 -8.967 1.00 0.00 C ATOM 1167 O GLN A 77 -8.283 -10.236 -9.810 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.711 -8.506 -10.237 1.00 0.00 C ATOM 1169 CG GLN A 77 -5.199 -7.242 -10.975 1.00 0.00 C ATOM 1170 CD GLN A 77 -6.096 -6.767 -12.133 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -7.298 -7.016 -12.169 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -5.521 -6.043 -13.073 1.00 0.00 N ATOM 0 H GLN A 77 -5.681 -7.228 -8.108 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.724 -7.747 -9.976 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.915 -8.885 -9.596 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.923 -9.281 -10.974 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.100 -6.431 -10.253 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.202 -7.444 -11.365 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.521 -5.847 -13.026 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -6.076 -5.679 -13.848 1.00 0.00 H new ATOM 1181 N LYS A 78 -7.434 -10.037 -7.702 1.00 0.00 N ATOM 1182 CA LYS A 78 -8.100 -11.234 -7.136 1.00 0.00 C ATOM 1183 C LYS A 78 -9.628 -11.226 -7.392 1.00 0.00 C ATOM 1184 O LYS A 78 -10.219 -12.287 -7.633 1.00 0.00 O ATOM 1185 CB LYS A 78 -7.808 -11.356 -5.618 1.00 0.00 C ATOM 1186 CG LYS A 78 -8.354 -12.647 -4.951 1.00 0.00 C ATOM 1187 CD LYS A 78 -8.034 -12.733 -3.438 1.00 0.00 C ATOM 1188 CE LYS A 78 -6.525 -12.746 -3.142 1.00 0.00 C ATOM 1189 NZ LYS A 78 -5.845 -13.922 -3.739 1.00 0.00 N ATOM 0 H LYS A 78 -6.804 -9.571 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.687 -12.103 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.730 -11.313 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.236 -10.492 -5.109 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.434 -12.692 -5.091 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.931 -13.516 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.491 -11.886 -2.927 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.487 -13.635 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.073 -11.833 -3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.368 -12.747 -2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.844 -13.924 -3.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.301 -14.794 -3.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.912 -13.873 -4.776 1.00 0.00 H new ATOM 1203 N HIS A 79 -10.271 -10.030 -7.344 1.00 0.00 N ATOM 1204 CA HIS A 79 -11.686 -9.890 -7.770 1.00 0.00 C ATOM 1205 C HIS A 79 -11.775 -9.129 -9.106 1.00 0.00 C ATOM 1206 O HIS A 79 -12.691 -9.375 -9.894 1.00 0.00 O ATOM 1207 CB HIS A 79 -12.503 -9.167 -6.671 1.00 0.00 C ATOM 1208 CG HIS A 79 -12.496 -9.893 -5.351 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -11.806 -9.453 -4.240 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -13.076 -11.063 -4.985 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -11.967 -10.318 -3.258 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -12.728 -11.300 -3.683 1.00 0.00 N ATOM 0 H HIS A 79 -9.840 -9.164 -7.020 1.00 0.00 H new ATOM 0 HA HIS A 79 -12.108 -10.884 -7.918 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -12.100 -8.164 -6.529 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -13.533 -9.052 -7.009 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.697 -11.691 -5.606 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -11.543 -10.233 -2.268 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -13.014 -12.109 -3.132 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.828 -8.197 -9.352 1.00 0.00 N ATOM 1222 CA GLY A 80 -10.552 -7.710 -10.710 1.00 0.00 C ATOM 1223 C GLY A 80 -10.454 -6.197 -10.744 1.00 0.00 C ATOM 1224 O GLY A 80 -11.473 -5.514 -10.856 1.00 0.00 O ATOM 0 H GLY A 80 -10.248 -7.773 -8.628 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.621 -8.145 -11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.342 -8.041 -11.385 1.00 0.00 H new ATOM 1228 N LEU A 81 -9.219 -5.681 -10.633 1.00 0.00 N ATOM 1229 CA LEU A 81 -8.916 -4.242 -10.660 1.00 0.00 C ATOM 1230 C LEU A 81 -8.970 -3.714 -12.114 1.00 0.00 C ATOM 1231 O LEU A 81 -7.931 -3.485 -12.749 1.00 0.00 O ATOM 1232 CB LEU A 81 -7.521 -4.009 -10.016 1.00 0.00 C ATOM 1233 CG LEU A 81 -7.035 -2.529 -9.876 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -7.938 -1.733 -8.920 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -5.558 -2.479 -9.426 1.00 0.00 C ATOM 0 H LEU A 81 -8.389 -6.263 -10.520 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.660 -3.690 -10.086 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.529 -4.457 -9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.782 -4.553 -10.605 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.104 -2.058 -10.856 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.574 -0.708 -8.844 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.958 -1.728 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.923 -2.197 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.240 -1.440 -9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.454 -2.976 -8.461 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.936 -2.985 -10.164 1.00 0.00 H new ATOM 1466 N TYR A 95 4.002 5.512 -9.788 1.00 0.00 N ATOM 1467 CA TYR A 95 4.660 4.446 -9.031 1.00 0.00 C ATOM 1468 C TYR A 95 6.024 4.944 -8.526 1.00 0.00 C ATOM 1469 O TYR A 95 6.382 4.682 -7.385 1.00 0.00 O ATOM 1470 CB TYR A 95 4.820 3.170 -9.908 1.00 0.00 C ATOM 1471 CG TYR A 95 5.796 2.126 -9.320 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.434 1.324 -8.229 1.00 0.00 C ATOM 1473 CD2 TYR A 95 7.095 1.981 -9.830 1.00 0.00 C ATOM 1474 CE1 TYR A 95 6.327 0.418 -7.683 1.00 0.00 C ATOM 1475 CE2 TYR A 95 7.984 1.083 -9.278 1.00 0.00 C ATOM 1476 CZ TYR A 95 7.599 0.304 -8.209 1.00 0.00 C ATOM 1477 OH TYR A 95 8.493 -0.583 -7.662 1.00 0.00 O ATOM 0 HA TYR A 95 4.043 4.181 -8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.842 2.706 -10.039 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.169 3.463 -10.898 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.444 1.414 -7.808 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.404 2.584 -10.671 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.030 -0.198 -6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.981 0.990 -9.683 1.00 0.00 H new ATOM 0 HH TYR A 95 9.340 -0.538 -8.152 1.00 0.00 H new ATOM 1487 N ASP A 96 6.758 5.669 -9.402 1.00 0.00 N ATOM 1488 CA ASP A 96 8.069 6.265 -9.060 1.00 0.00 C ATOM 1489 C ASP A 96 7.916 7.314 -7.946 1.00 0.00 C ATOM 1490 O ASP A 96 8.803 7.458 -7.113 1.00 0.00 O ATOM 1491 CB ASP A 96 8.737 6.922 -10.297 1.00 0.00 C ATOM 1492 CG ASP A 96 9.047 5.919 -11.415 1.00 0.00 C ATOM 1493 OD1 ASP A 96 8.167 5.673 -12.261 1.00 0.00 O ATOM 1494 OD2 ASP A 96 10.169 5.371 -11.455 1.00 0.00 O ATOM 0 H ASP A 96 6.460 5.856 -10.359 1.00 0.00 H new ATOM 0 HA ASP A 96 8.708 5.455 -8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 96 8.081 7.700 -10.687 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.661 7.410 -9.988 1.00 0.00 H new ATOM 1499 N ALA A 97 6.770 8.029 -7.943 1.00 0.00 N ATOM 1500 CA ALA A 97 6.480 9.076 -6.944 1.00 0.00 C ATOM 1501 C ALA A 97 6.283 8.464 -5.547 1.00 0.00 C ATOM 1502 O ALA A 97 6.891 8.914 -4.576 1.00 0.00 O ATOM 1503 CB ALA A 97 5.242 9.895 -7.364 1.00 0.00 C ATOM 0 H ALA A 97 6.026 7.897 -8.628 1.00 0.00 H new ATOM 0 HA ALA A 97 7.336 9.749 -6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.043 10.662 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.429 10.368 -8.328 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.379 9.234 -7.445 1.00 0.00 H new ATOM 1509 N MET A 98 5.436 7.425 -5.469 1.00 0.00 N ATOM 1510 CA MET A 98 5.161 6.691 -4.213 1.00 0.00 C ATOM 1511 C MET A 98 6.402 5.894 -3.739 1.00 0.00 C ATOM 1512 O MET A 98 6.630 5.738 -2.544 1.00 0.00 O ATOM 1513 CB MET A 98 3.934 5.766 -4.417 1.00 0.00 C ATOM 1514 CG MET A 98 3.418 5.077 -3.144 1.00 0.00 C ATOM 1515 SD MET A 98 1.828 4.251 -3.393 1.00 0.00 S ATOM 1516 CE MET A 98 0.737 5.641 -3.718 1.00 0.00 C ATOM 0 H MET A 98 4.920 7.066 -6.272 1.00 0.00 H new ATOM 0 HA MET A 98 4.933 7.410 -3.426 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.123 6.354 -4.847 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.194 4.999 -5.147 1.00 0.00 H new ATOM 0 HG2 MET A 98 4.154 4.346 -2.808 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.318 5.817 -2.350 1.00 0.00 H new ATOM 0 HE1 MET A 98 -0.020 5.700 -2.936 1.00 0.00 H new ATOM 0 HE2 MET A 98 1.317 6.564 -3.731 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.251 5.504 -4.684 1.00 0.00 H new ATOM 1526 N PHE A 99 7.168 5.387 -4.711 1.00 0.00 N ATOM 1527 CA PHE A 99 8.500 4.777 -4.492 1.00 0.00 C ATOM 1528 C PHE A 99 9.426 5.775 -3.752 1.00 0.00 C ATOM 1529 O PHE A 99 10.079 5.429 -2.760 1.00 0.00 O ATOM 1530 CB PHE A 99 9.102 4.357 -5.865 1.00 0.00 C ATOM 1531 CG PHE A 99 10.410 3.557 -5.817 1.00 0.00 C ATOM 1532 CD1 PHE A 99 11.647 4.197 -5.698 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.404 2.162 -5.916 1.00 0.00 C ATOM 1534 CE1 PHE A 99 12.823 3.476 -5.680 1.00 0.00 C ATOM 1535 CE2 PHE A 99 11.588 1.445 -5.895 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.795 2.100 -5.775 1.00 0.00 C ATOM 0 H PHE A 99 6.883 5.385 -5.690 1.00 0.00 H new ATOM 0 HA PHE A 99 8.404 3.889 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.358 3.765 -6.398 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.273 5.258 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.683 5.274 -5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.464 1.638 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 99 13.768 3.990 -5.591 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.566 0.368 -5.973 1.00 0.00 H new ATOM 0 HZ PHE A 99 13.717 1.537 -5.755 1.00 0.00 H new ATOM 1546 N GLU A 100 9.437 7.029 -4.250 1.00 0.00 N ATOM 1547 CA GLU A 100 10.239 8.125 -3.683 1.00 0.00 C ATOM 1548 C GLU A 100 9.659 8.635 -2.353 1.00 0.00 C ATOM 1549 O GLU A 100 10.391 9.216 -1.540 1.00 0.00 O ATOM 1550 CB GLU A 100 10.425 9.277 -4.697 1.00 0.00 C ATOM 1551 CG GLU A 100 11.298 8.902 -5.913 1.00 0.00 C ATOM 1552 CD GLU A 100 11.540 10.080 -6.867 1.00 0.00 C ATOM 1553 OE1 GLU A 100 10.686 10.338 -7.743 1.00 0.00 O ATOM 1554 OE2 GLU A 100 12.583 10.763 -6.732 1.00 0.00 O ATOM 0 H GLU A 100 8.885 7.308 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 100 11.226 7.716 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.445 9.599 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.876 10.128 -4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.258 8.524 -5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 100 10.818 8.091 -6.461 1.00 0.00 H new ATOM 1561 N ASP A 101 8.343 8.458 -2.155 1.00 0.00 N ATOM 1562 CA ASP A 101 7.703 8.749 -0.865 1.00 0.00 C ATOM 1563 C ASP A 101 8.257 7.798 0.205 1.00 0.00 C ATOM 1564 O ASP A 101 8.889 8.236 1.157 1.00 0.00 O ATOM 1565 CB ASP A 101 6.154 8.631 -0.962 1.00 0.00 C ATOM 1566 CG ASP A 101 5.437 8.844 0.391 1.00 0.00 C ATOM 1567 OD1 ASP A 101 5.275 10.008 0.816 1.00 0.00 O ATOM 1568 OD2 ASP A 101 5.036 7.851 1.046 1.00 0.00 O ATOM 0 H ASP A 101 7.703 8.115 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 101 7.932 9.777 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.785 9.364 -1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.896 7.646 -1.351 1.00 0.00 H new ATOM 1573 N ILE A 102 8.051 6.492 -0.014 1.00 0.00 N ATOM 1574 CA ILE A 102 8.451 5.425 0.920 1.00 0.00 C ATOM 1575 C ILE A 102 9.965 5.505 1.272 1.00 0.00 C ATOM 1576 O ILE A 102 10.331 5.375 2.443 1.00 0.00 O ATOM 1577 CB ILE A 102 8.059 4.010 0.330 1.00 0.00 C ATOM 1578 CG1 ILE A 102 6.502 3.900 0.172 1.00 0.00 C ATOM 1579 CG2 ILE A 102 8.602 2.844 1.187 1.00 0.00 C ATOM 1580 CD1 ILE A 102 5.989 2.592 -0.422 1.00 0.00 C ATOM 0 H ILE A 102 7.596 6.140 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 102 7.908 5.567 1.854 1.00 0.00 H new ATOM 0 HB ILE A 102 8.526 3.927 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.045 4.037 1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.160 4.722 -0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.306 1.895 0.740 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.690 2.901 1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.194 2.913 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.901 2.623 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.408 2.456 -1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.291 1.760 0.214 1.00 0.00 H new ATOM 1592 N ARG A 103 10.816 5.793 0.255 1.00 0.00 N ATOM 1593 CA ARG A 103 12.287 5.892 0.453 1.00 0.00 C ATOM 1594 C ARG A 103 12.654 7.033 1.424 1.00 0.00 C ATOM 1595 O ARG A 103 13.649 6.932 2.136 1.00 0.00 O ATOM 1596 CB ARG A 103 13.067 5.975 -0.906 1.00 0.00 C ATOM 1597 CG ARG A 103 13.034 7.305 -1.687 1.00 0.00 C ATOM 1598 CD ARG A 103 14.045 8.362 -1.200 1.00 0.00 C ATOM 1599 NE ARG A 103 15.445 7.940 -1.373 1.00 0.00 N ATOM 1600 CZ ARG A 103 16.520 8.673 -1.033 1.00 0.00 C ATOM 1601 NH1 ARG A 103 16.388 9.871 -0.468 1.00 0.00 N ATOM 1602 NH2 ARG A 103 17.732 8.208 -1.278 1.00 0.00 N ATOM 0 H ARG A 103 10.513 5.960 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 103 12.611 4.965 0.925 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.111 5.733 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.678 5.195 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.225 7.097 -2.740 1.00 0.00 H new ATOM 0 HG3 ARG A 103 12.030 7.725 -1.621 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.881 9.292 -1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.862 8.574 -0.146 1.00 0.00 H new ATOM 0 HE ARG A 103 15.612 7.021 -1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.458 10.249 -0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 103 17.216 10.411 -0.218 1.00 0.00 H new ATOM 0 HH21 ARG A 103 17.849 7.298 -1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 103 18.551 8.759 -1.022 1.00 0.00 H new ATOM 1616 N ALA A 104 11.835 8.109 1.429 1.00 0.00 N ATOM 1617 CA ALA A 104 12.088 9.318 2.235 1.00 0.00 C ATOM 1618 C ALA A 104 11.995 9.022 3.741 1.00 0.00 C ATOM 1619 O ALA A 104 12.913 9.330 4.502 1.00 0.00 O ATOM 1620 CB ALA A 104 11.112 10.437 1.841 1.00 0.00 C ATOM 0 H ALA A 104 10.981 8.160 0.873 1.00 0.00 H new ATOM 0 HA ALA A 104 13.105 9.651 2.028 1.00 0.00 H new ATOM 0 HB1 ALA A 104 11.311 11.323 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.243 10.679 0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.088 10.104 2.012 1.00 0.00 H new ATOM 1626 N LYS A 105 10.882 8.397 4.154 1.00 0.00 N ATOM 1627 CA LYS A 105 10.634 8.046 5.569 1.00 0.00 C ATOM 1628 C LYS A 105 11.528 6.873 5.998 1.00 0.00 C ATOM 1629 O LYS A 105 11.877 6.755 7.174 1.00 0.00 O ATOM 1630 CB LYS A 105 9.131 7.737 5.830 1.00 0.00 C ATOM 1631 CG LYS A 105 8.209 8.978 6.036 1.00 0.00 C ATOM 1632 CD LYS A 105 8.133 9.914 4.806 1.00 0.00 C ATOM 1633 CE LYS A 105 7.536 9.223 3.579 1.00 0.00 C ATOM 1634 NZ LYS A 105 6.099 8.910 3.726 1.00 0.00 N ATOM 0 H LYS A 105 10.129 8.120 3.524 1.00 0.00 H new ATOM 0 HA LYS A 105 10.892 8.912 6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.747 7.158 4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 105 9.058 7.103 6.714 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.204 8.635 6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.569 9.548 6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.531 10.788 5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 105 9.133 10.274 4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.674 9.863 2.707 1.00 0.00 H new ATOM 0 HE3 LYS A 105 8.084 8.300 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.771 8.384 2.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.955 8.332 4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.558 9.794 3.812 1.00 0.00 H new ATOM 1648 N LEU A 106 11.898 6.011 5.036 1.00 0.00 N ATOM 1649 CA LEU A 106 12.839 4.900 5.283 1.00 0.00 C ATOM 1650 C LEU A 106 14.277 5.442 5.478 1.00 0.00 C ATOM 1651 O LEU A 106 15.090 4.836 6.185 1.00 0.00 O ATOM 1652 CB LEU A 106 12.778 3.856 4.125 1.00 0.00 C ATOM 1653 CG LEU A 106 11.738 2.692 4.280 1.00 0.00 C ATOM 1654 CD1 LEU A 106 10.350 3.186 4.739 1.00 0.00 C ATOM 1655 CD2 LEU A 106 11.631 1.890 2.963 1.00 0.00 C ATOM 0 H LEU A 106 11.559 6.061 4.075 1.00 0.00 H new ATOM 0 HA LEU A 106 12.544 4.392 6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.558 4.387 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.768 3.415 4.012 1.00 0.00 H new ATOM 0 HG LEU A 106 12.107 2.036 5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.673 2.337 4.829 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.441 3.681 5.706 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.954 3.890 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.906 1.085 3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.307 2.552 2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.604 1.467 2.715 1.00 0.00 H new ATOM 1667 N HIS A 107 14.561 6.594 4.837 1.00 0.00 N ATOM 1668 CA HIS A 107 15.833 7.337 4.983 1.00 0.00 C ATOM 1669 C HIS A 107 15.788 8.199 6.270 1.00 0.00 C ATOM 1670 O HIS A 107 16.834 8.642 6.763 1.00 0.00 O ATOM 1671 CB HIS A 107 16.055 8.217 3.712 1.00 0.00 C ATOM 1672 CG HIS A 107 17.441 8.804 3.555 1.00 0.00 C ATOM 1673 ND1 HIS A 107 18.383 8.298 2.685 1.00 0.00 N ATOM 1674 CD2 HIS A 107 18.036 9.865 4.149 1.00 0.00 C ATOM 1675 CE1 HIS A 107 19.486 9.012 2.764 1.00 0.00 C ATOM 1676 NE2 HIS A 107 19.301 9.972 3.647 1.00 0.00 N ATOM 0 H HIS A 107 13.907 7.041 4.195 1.00 0.00 H new ATOM 0 HA HIS A 107 16.670 6.644 5.075 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.834 7.614 2.832 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.334 9.034 3.728 1.00 0.00 H new ATOM 0 HD2 HIS A 107 17.589 10.512 4.889 1.00 0.00 H new ATOM 0 HE1 HIS A 107 20.391 8.840 2.200 1.00 0.00 H new ATOM 0 HE2 HIS A 107 19.988 10.678 3.912 1.00 0.00 H new ATOM 1685 N ALA A 108 14.545 8.403 6.789 1.00 0.00 N ATOM 1686 CA ALA A 108 14.227 9.228 7.981 1.00 0.00 C ATOM 1687 C ALA A 108 14.434 10.741 7.736 1.00 0.00 C ATOM 1688 O ALA A 108 14.521 11.527 8.687 1.00 0.00 O ATOM 1689 CB ALA A 108 15.008 8.731 9.218 1.00 0.00 C ATOM 0 H ALA A 108 13.714 7.983 6.373 1.00 0.00 H new ATOM 0 HA ALA A 108 13.163 9.102 8.182 1.00 0.00 H new ATOM 0 HB1 ALA A 108 14.759 9.351 10.079 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.739 7.695 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 108 16.078 8.795 9.022 1.00 0.00 H new ATOM 1727 N GLY A 111 11.897 14.050 1.467 1.00 0.00 N ATOM 1728 CA GLY A 111 12.210 13.848 0.053 1.00 0.00 C ATOM 1729 C GLY A 111 11.104 13.073 -0.647 1.00 0.00 C ATOM 1730 O GLY A 111 11.356 12.088 -1.352 1.00 0.00 O ATOM 0 HA2 GLY A 111 12.346 14.814 -0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 111 13.152 13.308 -0.041 1.00 0.00 H new ATOM 1734 N GLU A 112 9.869 13.539 -0.456 1.00 0.00 N ATOM 1735 CA GLU A 112 8.642 12.848 -0.900 1.00 0.00 C ATOM 1736 C GLU A 112 7.714 13.830 -1.646 1.00 0.00 C ATOM 1737 O GLU A 112 7.881 15.049 -1.515 1.00 0.00 O ATOM 1738 CB GLU A 112 7.903 12.215 0.326 1.00 0.00 C ATOM 1739 CG GLU A 112 7.410 13.193 1.420 1.00 0.00 C ATOM 1740 CD GLU A 112 8.552 13.825 2.235 1.00 0.00 C ATOM 1741 OE1 GLU A 112 9.159 13.120 3.060 1.00 0.00 O ATOM 1742 OE2 GLU A 112 8.867 15.020 2.036 1.00 0.00 O ATOM 0 H GLU A 112 9.682 14.422 0.019 1.00 0.00 H new ATOM 0 HA GLU A 112 8.919 12.048 -1.587 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.043 11.658 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 112 8.573 11.493 0.792 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.826 13.985 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 112 6.741 12.662 2.097 1.00 0.00 H new ATOM 1749 N PRO A 113 6.748 13.318 -2.483 1.00 0.00 N ATOM 1750 CA PRO A 113 5.665 14.150 -3.058 1.00 0.00 C ATOM 1751 C PRO A 113 4.754 14.738 -1.950 1.00 0.00 C ATOM 1752 O PRO A 113 4.234 13.989 -1.109 1.00 0.00 O ATOM 1753 CB PRO A 113 4.879 13.162 -3.981 1.00 0.00 C ATOM 1754 CG PRO A 113 5.843 12.049 -4.243 1.00 0.00 C ATOM 1755 CD PRO A 113 6.668 11.919 -2.984 1.00 0.00 C ATOM 0 HA PRO A 113 6.046 15.014 -3.602 1.00 0.00 H new ATOM 0 HB2 PRO A 113 3.975 12.798 -3.494 1.00 0.00 H new ATOM 0 HB3 PRO A 113 4.569 13.645 -4.908 1.00 0.00 H new ATOM 0 HG2 PRO A 113 5.318 11.120 -4.465 1.00 0.00 H new ATOM 0 HG3 PRO A 113 6.474 12.272 -5.103 1.00 0.00 H new ATOM 0 HD2 PRO A 113 6.194 11.258 -2.258 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.656 11.508 -3.191 1.00 0.00 H new ATOM 1763 N VAL A 114 4.596 16.075 -1.942 1.00 0.00 N ATOM 1764 CA VAL A 114 3.754 16.778 -0.955 1.00 0.00 C ATOM 1765 C VAL A 114 2.264 16.656 -1.352 1.00 0.00 C ATOM 1766 O VAL A 114 1.888 16.899 -2.502 1.00 0.00 O ATOM 1767 CB VAL A 114 4.188 18.288 -0.789 1.00 0.00 C ATOM 1768 CG1 VAL A 114 4.000 19.106 -2.087 1.00 0.00 C ATOM 1769 CG2 VAL A 114 3.469 18.956 0.413 1.00 0.00 C ATOM 0 H VAL A 114 5.045 16.695 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 114 3.894 16.304 0.016 1.00 0.00 H new ATOM 0 HB VAL A 114 5.257 18.283 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 114 4.313 20.136 -1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.604 18.670 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.950 19.090 -2.378 1.00 0.00 H new ATOM 0 HG21 VAL A 114 3.791 19.994 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 114 2.391 18.922 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 114 3.720 18.422 1.330 1.00 0.00 H new ATOM 1779 N ASP A 115 1.421 16.273 -0.389 1.00 0.00 N ATOM 1780 CA ASP A 115 0.003 15.920 -0.640 1.00 0.00 C ATOM 1781 C ASP A 115 -0.959 17.099 -0.415 1.00 0.00 C ATOM 1782 O ASP A 115 -2.176 16.903 -0.553 1.00 0.00 O ATOM 1783 CB ASP A 115 -0.410 14.724 0.266 1.00 0.00 C ATOM 1784 CG ASP A 115 -0.282 15.026 1.774 1.00 0.00 C ATOM 1785 OD1 ASP A 115 -1.177 15.687 2.354 1.00 0.00 O ATOM 1786 OD2 ASP A 115 0.729 14.622 2.385 1.00 0.00 O ATOM 0 H ASP A 115 1.694 16.196 0.591 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.074 15.644 -1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.441 14.449 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 115 0.210 13.861 0.022 1.00 0.00 H new ATOM 1791 N LEU A 116 -0.418 18.308 -0.087 1.00 0.00 N ATOM 1792 CA LEU A 116 -1.235 19.474 0.351 1.00 0.00 C ATOM 1793 C LEU A 116 -2.356 19.783 -0.654 1.00 0.00 C ATOM 1794 O LEU A 116 -3.447 20.204 -0.268 1.00 0.00 O ATOM 1795 CB LEU A 116 -0.336 20.724 0.659 1.00 0.00 C ATOM 1796 CG LEU A 116 0.394 21.456 -0.539 1.00 0.00 C ATOM 1797 CD1 LEU A 116 -0.514 22.494 -1.262 1.00 0.00 C ATOM 1798 CD2 LEU A 116 1.705 22.135 -0.074 1.00 0.00 C ATOM 0 H LEU A 116 0.584 18.498 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.723 19.207 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.959 21.461 1.165 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.429 20.412 1.370 1.00 0.00 H new ATOM 0 HG LEU A 116 0.634 20.675 -1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.043 22.962 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.391 21.990 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.831 23.258 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.180 22.628 -0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.479 22.874 0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.380 21.382 0.333 1.00 0.00 H new ATOM 1810 N GLU A 117 -2.056 19.570 -1.945 1.00 0.00 N ATOM 1811 CA GLU A 117 -3.052 19.523 -3.009 1.00 0.00 C ATOM 1812 C GLU A 117 -2.719 18.302 -3.881 1.00 0.00 C ATOM 1813 O GLU A 117 -1.952 18.400 -4.834 1.00 0.00 O ATOM 1814 CB GLU A 117 -3.074 20.853 -3.846 1.00 0.00 C ATOM 1815 CG GLU A 117 -4.366 21.107 -4.676 1.00 0.00 C ATOM 1816 CD GLU A 117 -4.662 20.057 -5.781 1.00 0.00 C ATOM 1817 OE1 GLU A 117 -4.175 20.226 -6.918 1.00 0.00 O ATOM 1818 OE2 GLU A 117 -5.366 19.061 -5.511 1.00 0.00 O ATOM 0 H GLU A 117 -1.102 19.425 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 117 -4.054 19.428 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -2.931 21.692 -3.165 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -2.223 20.847 -4.526 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -5.215 21.142 -3.994 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -4.291 22.089 -5.142 1.00 0.00 H new ATOM 1825 N ARG A 118 -3.251 17.143 -3.493 1.00 0.00 N ATOM 1826 CA ARG A 118 -3.239 15.917 -4.325 1.00 0.00 C ATOM 1827 C ARG A 118 -4.664 15.307 -4.295 1.00 0.00 C ATOM 1828 O ARG A 118 -4.867 14.094 -4.450 1.00 0.00 O ATOM 1829 CB ARG A 118 -2.138 14.937 -3.801 1.00 0.00 C ATOM 1830 CG ARG A 118 -1.836 13.733 -4.727 1.00 0.00 C ATOM 1831 CD ARG A 118 -0.720 12.820 -4.185 1.00 0.00 C ATOM 1832 NE ARG A 118 -0.511 11.635 -5.047 1.00 0.00 N ATOM 1833 CZ ARG A 118 0.345 11.561 -6.086 1.00 0.00 C ATOM 1834 NH1 ARG A 118 1.147 12.575 -6.383 1.00 0.00 N ATOM 1835 NH2 ARG A 118 0.409 10.454 -6.810 1.00 0.00 N ATOM 0 H ARG A 118 -3.707 17.017 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 118 -2.986 16.135 -5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -1.216 15.499 -3.649 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -2.445 14.558 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -2.745 13.147 -4.859 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -1.549 14.102 -5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 118 0.209 13.385 -4.113 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -0.974 12.495 -3.176 1.00 0.00 H new ATOM 0 HE ARG A 118 -1.062 10.803 -4.837 1.00 0.00 H new ATOM 0 HH11 ARG A 118 1.122 13.426 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 118 1.789 12.503 -7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -0.189 9.660 -6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 118 1.056 10.396 -7.597 1.00 0.00 H new ATOM 1849 N ILE A 119 -5.661 16.202 -4.135 1.00 0.00 N ATOM 1850 CA ILE A 119 -7.076 15.824 -3.955 1.00 0.00 C ATOM 1851 C ILE A 119 -7.851 16.136 -5.240 1.00 0.00 C ATOM 1852 O ILE A 119 -8.527 15.271 -5.801 1.00 0.00 O ATOM 1853 CB ILE A 119 -7.729 16.596 -2.738 1.00 0.00 C ATOM 1854 CG1 ILE A 119 -6.804 16.568 -1.473 1.00 0.00 C ATOM 1855 CG2 ILE A 119 -9.133 16.031 -2.405 1.00 0.00 C ATOM 1856 CD1 ILE A 119 -6.490 15.182 -0.929 1.00 0.00 C ATOM 0 H ILE A 119 -5.505 17.210 -4.127 1.00 0.00 H new ATOM 0 HA ILE A 119 -7.122 14.756 -3.740 1.00 0.00 H new ATOM 0 HB ILE A 119 -7.845 17.637 -3.040 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -5.866 17.066 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -7.278 17.152 -0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -9.557 16.581 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -9.783 16.137 -3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -9.048 14.977 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -5.844 15.272 -0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -7.417 14.684 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -5.983 14.596 -1.696 1.00 0.00 H new ATOM 1868 N ILE A 120 -7.734 17.395 -5.698 1.00 0.00 N ATOM 1869 CA ILE A 120 -8.389 17.873 -6.923 1.00 0.00 C ATOM 1870 C ILE A 120 -7.456 17.593 -8.120 1.00 0.00 C ATOM 1871 O ILE A 120 -6.747 18.481 -8.619 1.00 0.00 O ATOM 1872 CB ILE A 120 -8.754 19.409 -6.828 1.00 0.00 C ATOM 1873 CG1 ILE A 120 -9.494 19.731 -5.486 1.00 0.00 C ATOM 1874 CG2 ILE A 120 -9.597 19.874 -8.050 1.00 0.00 C ATOM 1875 CD1 ILE A 120 -10.821 19.005 -5.281 1.00 0.00 C ATOM 0 H ILE A 120 -7.180 18.110 -5.226 1.00 0.00 H new ATOM 0 HA ILE A 120 -9.330 17.340 -7.059 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.818 19.967 -6.842 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -8.832 19.483 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -9.675 20.805 -5.439 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -9.829 20.934 -7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.030 19.712 -8.966 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -10.524 19.302 -8.091 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -11.251 19.297 -4.323 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -11.509 19.270 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -10.652 17.928 -5.289 1.00 0.00 H new ATOM 1887 N ARG A 121 -7.396 16.307 -8.501 1.00 0.00 N ATOM 1888 CA ARG A 121 -6.618 15.816 -9.655 1.00 0.00 C ATOM 1889 C ARG A 121 -7.577 15.351 -10.768 1.00 0.00 C ATOM 1890 O ARG A 121 -8.800 15.423 -10.613 1.00 0.00 O ATOM 1891 CB ARG A 121 -5.685 14.652 -9.209 1.00 0.00 C ATOM 1892 CG ARG A 121 -4.647 14.994 -8.099 1.00 0.00 C ATOM 1893 CD ARG A 121 -3.529 15.966 -8.555 1.00 0.00 C ATOM 1894 NE ARG A 121 -3.999 17.357 -8.733 1.00 0.00 N ATOM 1895 CZ ARG A 121 -3.637 18.185 -9.726 1.00 0.00 C ATOM 1896 NH1 ARG A 121 -2.830 17.780 -10.695 1.00 0.00 N ATOM 1897 NH2 ARG A 121 -4.104 19.420 -9.743 1.00 0.00 N ATOM 0 H ARG A 121 -7.894 15.565 -8.009 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.998 16.623 -10.045 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -6.307 13.830 -8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.145 14.290 -10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.171 15.433 -7.250 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.189 14.069 -7.748 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -2.724 15.953 -7.820 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -3.108 15.609 -9.495 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.655 17.719 -8.041 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.473 16.825 -10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.566 18.423 -11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.734 19.737 -9.006 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -3.835 20.057 -10.493 1.00 0.00 H new