USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 608 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 2 LYS NZ :NH3+ 164:sc= 1.04 (180deg=0.856) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -62:sc= 0.198 USER MOD Single : A 10 SER OG : rot 132:sc= 0.321 USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 0.846 (180deg=0.457) USER MOD Single : A 28 ASN : amide:sc= 0.766 K(o=0.77,f=0) USER MOD Single : A 30 MET CE :methyl -173:sc= -0.0162 (180deg=-0.142) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.386 X(o=0.39,f=-0.0027) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.798 K(o=0.8,f=-0.33) USER MOD Single : A 46 GLN : amide:sc= 0.714 K(o=0.71,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0.83 (180deg=0.0845) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -71:sc= 0.992 USER MOD Single : A 62 ASN : amide:sc= -0.0622 X(o=-0.062,f=-0.25) USER MOD Single : A 72 THR OG1 : rot -66:sc= 1.23 USER MOD Single : A 73 LYS NZ :NH3+ 135:sc= -0.16 (180deg=-1.61!) USER MOD Single : A 81 LYS NZ :NH3+ 155:sc= 0.699 (180deg=-0.848!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LYS A 2 4.332 -7.899 10.879 1.00 0.00 N ATOM 32 CA LYS A 2 3.117 -7.194 10.497 1.00 0.00 C ATOM 33 C LYS A 2 3.462 -6.434 9.229 1.00 0.00 C ATOM 34 O LYS A 2 4.288 -5.518 9.273 1.00 0.00 O ATOM 35 CB LYS A 2 2.647 -6.286 11.648 1.00 0.00 C ATOM 36 CG LYS A 2 1.593 -5.248 11.223 1.00 0.00 C ATOM 37 CD LYS A 2 1.042 -4.489 12.438 1.00 0.00 C ATOM 38 CE LYS A 2 0.559 -3.076 12.090 1.00 0.00 C ATOM 39 NZ LYS A 2 -0.507 -3.035 11.076 1.00 0.00 N ATOM 0 HA LYS A 2 2.280 -7.865 10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 2 2.234 -6.906 12.443 1.00 0.00 H new ATOM 0 HB3 LYS A 2 3.510 -5.766 12.065 1.00 0.00 H new ATOM 0 HG2 LYS A 2 2.036 -4.542 10.520 1.00 0.00 H new ATOM 0 HG3 LYS A 2 0.776 -5.747 10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 2 0.216 -5.054 12.869 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.817 -4.425 13.202 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.199 -2.593 12.999 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.407 -2.492 11.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.963 -2.100 11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.098 -3.207 10.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.214 -3.768 11.286 1.00 0.00 H new ATOM 53 N VAL A 3 2.890 -6.853 8.106 1.00 0.00 N ATOM 54 CA VAL A 3 2.957 -6.099 6.867 1.00 0.00 C ATOM 55 C VAL A 3 2.150 -4.813 7.053 1.00 0.00 C ATOM 56 O VAL A 3 0.920 -4.843 7.181 1.00 0.00 O ATOM 57 CB VAL A 3 2.470 -6.968 5.693 1.00 0.00 C ATOM 58 CG1 VAL A 3 2.185 -6.149 4.428 1.00 0.00 C ATOM 59 CG2 VAL A 3 3.514 -8.044 5.373 1.00 0.00 C ATOM 0 H VAL A 3 2.367 -7.726 8.032 1.00 0.00 H new ATOM 0 HA VAL A 3 3.982 -5.819 6.622 1.00 0.00 H new ATOM 0 HB VAL A 3 1.532 -7.426 6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 3 1.845 -6.813 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.412 -5.410 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.095 -5.640 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.163 -8.655 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.456 -7.568 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.666 -8.675 6.249 1.00 0.00 H new ATOM 69 N LYS A 4 2.856 -3.679 7.052 1.00 0.00 N ATOM 70 CA LYS A 4 2.226 -2.400 6.778 1.00 0.00 C ATOM 71 C LYS A 4 2.058 -2.329 5.271 1.00 0.00 C ATOM 72 O LYS A 4 3.020 -2.552 4.531 1.00 0.00 O ATOM 73 CB LYS A 4 3.094 -1.211 7.237 1.00 0.00 C ATOM 74 CG LYS A 4 2.926 -0.858 8.721 1.00 0.00 C ATOM 75 CD LYS A 4 3.663 -1.789 9.698 1.00 0.00 C ATOM 76 CE LYS A 4 4.861 -1.087 10.340 1.00 0.00 C ATOM 77 NZ LYS A 4 5.956 -0.859 9.380 1.00 0.00 N ATOM 0 H LYS A 4 3.858 -3.628 7.238 1.00 0.00 H new ATOM 0 HA LYS A 4 1.281 -2.333 7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.142 -1.442 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.845 -0.337 6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.278 0.161 8.879 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.863 -0.869 8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.975 -2.122 10.475 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.002 -2.680 9.169 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.540 -0.132 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.229 -1.688 11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.745 -0.381 9.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.282 -1.771 9.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.615 -0.263 8.599 1.00 0.00 H new ATOM 91 N ILE A 5 0.863 -1.990 4.818 1.00 0.00 N ATOM 92 CA ILE A 5 0.648 -1.451 3.493 1.00 0.00 C ATOM 93 C ILE A 5 -0.052 -0.124 3.733 1.00 0.00 C ATOM 94 O ILE A 5 -0.888 0.000 4.629 1.00 0.00 O ATOM 95 CB ILE A 5 -0.180 -2.434 2.649 1.00 0.00 C ATOM 96 CG1 ILE A 5 0.653 -3.641 2.177 1.00 0.00 C ATOM 97 CG2 ILE A 5 -0.883 -1.806 1.426 1.00 0.00 C ATOM 98 CD1 ILE A 5 -0.196 -4.893 2.108 1.00 0.00 C ATOM 0 H ILE A 5 0.009 -2.083 5.368 1.00 0.00 H new ATOM 0 HA ILE A 5 1.567 -1.301 2.926 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.960 -2.762 3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 5 1.079 -3.432 1.196 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.488 -3.801 2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.442 -2.575 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.567 -1.026 1.760 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.137 -1.373 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.416 -5.730 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.601 -5.113 3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.016 -4.739 1.406 1.00 0.00 H new ATOM 110 N GLU A 6 0.239 0.859 2.895 1.00 0.00 N ATOM 111 CA GLU A 6 -0.470 2.123 2.902 1.00 0.00 C ATOM 112 C GLU A 6 -0.748 2.506 1.462 1.00 0.00 C ATOM 113 O GLU A 6 0.014 2.152 0.563 1.00 0.00 O ATOM 114 CB GLU A 6 0.336 3.229 3.596 1.00 0.00 C ATOM 115 CG GLU A 6 0.660 2.960 5.072 1.00 0.00 C ATOM 116 CD GLU A 6 0.634 4.258 5.879 1.00 0.00 C ATOM 117 OE1 GLU A 6 1.658 4.977 5.927 1.00 0.00 O ATOM 118 OE2 GLU A 6 -0.421 4.607 6.457 1.00 0.00 O ATOM 0 H GLU A 6 0.975 0.800 2.191 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.398 2.010 3.463 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.271 3.373 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.220 4.164 3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.062 2.255 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.642 2.495 5.154 1.00 0.00 H new ATOM 125 N LEU A 7 -1.819 3.262 1.251 1.00 0.00 N ATOM 126 CA LEU A 7 -2.176 3.879 -0.010 1.00 0.00 C ATOM 127 C LEU A 7 -2.385 5.358 0.273 1.00 0.00 C ATOM 128 O LEU A 7 -3.521 5.829 0.402 1.00 0.00 O ATOM 129 CB LEU A 7 -3.425 3.223 -0.619 1.00 0.00 C ATOM 130 CG LEU A 7 -3.108 2.009 -1.509 1.00 0.00 C ATOM 131 CD1 LEU A 7 -3.157 0.696 -0.725 1.00 0.00 C ATOM 132 CD2 LEU A 7 -4.087 1.965 -2.692 1.00 0.00 C ATOM 0 H LEU A 7 -2.489 3.468 1.992 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.387 3.745 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.090 2.910 0.186 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.965 3.965 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.090 2.122 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.927 -0.135 -1.392 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.425 0.727 0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.154 0.560 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.860 1.104 -3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.107 1.882 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.990 2.878 -3.279 1.00 0.00 H new ATOM 144 N PHE A 8 -1.272 6.081 0.359 1.00 0.00 N ATOM 145 CA PHE A 8 -1.236 7.530 0.378 1.00 0.00 C ATOM 146 C PHE A 8 -1.461 7.971 -1.073 1.00 0.00 C ATOM 147 O PHE A 8 -0.540 8.092 -1.879 1.00 0.00 O ATOM 148 CB PHE A 8 0.079 7.971 1.034 1.00 0.00 C ATOM 149 CG PHE A 8 0.305 9.467 1.120 1.00 0.00 C ATOM 150 CD1 PHE A 8 -0.152 10.182 2.239 1.00 0.00 C ATOM 151 CD2 PHE A 8 1.037 10.139 0.126 1.00 0.00 C ATOM 152 CE1 PHE A 8 0.081 11.565 2.330 1.00 0.00 C ATOM 153 CE2 PHE A 8 1.289 11.513 0.224 1.00 0.00 C ATOM 154 CZ PHE A 8 0.796 12.237 1.322 1.00 0.00 C ATOM 0 H PHE A 8 -0.346 5.657 0.419 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.009 8.009 0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.116 7.559 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.906 7.529 0.478 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.682 9.670 3.029 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.410 9.588 -0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.292 12.116 3.181 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.861 12.015 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.965 13.301 1.392 1.00 0.00 H new ATOM 164 N THR A 9 -2.725 8.070 -1.472 1.00 0.00 N ATOM 165 CA THR A 9 -3.110 8.148 -2.880 1.00 0.00 C ATOM 166 C THR A 9 -4.185 9.220 -3.063 1.00 0.00 C ATOM 167 O THR A 9 -4.716 9.706 -2.080 1.00 0.00 O ATOM 168 CB THR A 9 -3.534 6.748 -3.353 1.00 0.00 C ATOM 169 OG1 THR A 9 -4.522 6.167 -2.522 1.00 0.00 O ATOM 170 CG2 THR A 9 -2.360 5.768 -3.426 1.00 0.00 C ATOM 0 H THR A 9 -3.515 8.099 -0.827 1.00 0.00 H new ATOM 0 HA THR A 9 -2.273 8.456 -3.507 1.00 0.00 H new ATOM 0 HB THR A 9 -3.940 6.913 -4.351 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.160 6.046 -1.619 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.718 4.796 -3.766 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.614 6.145 -4.126 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.911 5.664 -2.438 1.00 0.00 H new ATOM 178 N SER A 10 -4.497 9.665 -4.278 1.00 0.00 N ATOM 179 CA SER A 10 -5.498 10.714 -4.492 1.00 0.00 C ATOM 180 C SER A 10 -5.914 10.761 -5.968 1.00 0.00 C ATOM 181 O SER A 10 -7.116 10.787 -6.225 1.00 0.00 O ATOM 182 CB SER A 10 -5.008 12.072 -3.943 1.00 0.00 C ATOM 183 OG SER A 10 -6.084 12.940 -3.659 1.00 0.00 O ATOM 0 H SER A 10 -4.070 9.315 -5.135 1.00 0.00 H new ATOM 0 HA SER A 10 -6.397 10.475 -3.924 1.00 0.00 H new ATOM 0 HB2 SER A 10 -4.424 11.909 -3.038 1.00 0.00 H new ATOM 0 HB3 SER A 10 -4.345 12.540 -4.670 1.00 0.00 H new ATOM 0 HG SER A 10 -5.965 13.328 -2.767 1.00 0.00 H new ATOM 274 N PRO A 17 -9.427 -1.478 -8.609 1.00 0.00 N ATOM 275 CA PRO A 17 -8.572 -1.871 -7.497 1.00 0.00 C ATOM 276 C PRO A 17 -7.956 -0.611 -6.870 1.00 0.00 C ATOM 277 O PRO A 17 -7.801 0.421 -7.523 1.00 0.00 O ATOM 278 CB PRO A 17 -7.491 -2.754 -8.128 1.00 0.00 C ATOM 279 CG PRO A 17 -7.346 -2.200 -9.540 1.00 0.00 C ATOM 280 CD PRO A 17 -8.782 -1.809 -9.880 1.00 0.00 C ATOM 0 HA PRO A 17 -9.107 -2.399 -6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.553 -2.693 -7.576 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.787 -3.803 -8.138 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -6.672 -1.344 -9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -6.952 -2.945 -10.231 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.803 -0.958 -10.560 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.301 -2.628 -10.378 1.00 0.00 H new ATOM 288 N ALA A 18 -7.548 -0.743 -5.613 1.00 0.00 N ATOM 289 CA ALA A 18 -6.857 0.198 -4.741 1.00 0.00 C ATOM 290 C ALA A 18 -6.664 -0.600 -3.447 1.00 0.00 C ATOM 291 O ALA A 18 -6.482 -1.817 -3.524 1.00 0.00 O ATOM 292 CB ALA A 18 -7.663 1.493 -4.519 1.00 0.00 C ATOM 0 H ALA A 18 -7.715 -1.621 -5.122 1.00 0.00 H new ATOM 0 HA ALA A 18 -5.916 0.551 -5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.105 2.161 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.833 1.984 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.622 1.251 -4.060 1.00 0.00 H new ATOM 298 N ALA A 19 -6.773 0.035 -2.275 1.00 0.00 N ATOM 299 CA ALA A 19 -6.682 -0.601 -0.971 1.00 0.00 C ATOM 300 C ALA A 19 -7.450 -1.920 -0.898 1.00 0.00 C ATOM 301 O ALA A 19 -6.900 -2.892 -0.402 1.00 0.00 O ATOM 302 CB ALA A 19 -7.170 0.394 0.079 1.00 0.00 C ATOM 0 H ALA A 19 -6.932 1.041 -2.214 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.642 -0.867 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.111 -0.062 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.545 1.286 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.203 0.669 -0.133 1.00 0.00 H new ATOM 308 N LYS A 20 -8.668 -1.992 -1.449 1.00 0.00 N ATOM 309 CA LYS A 20 -9.439 -3.233 -1.500 1.00 0.00 C ATOM 310 C LYS A 20 -8.668 -4.370 -2.188 1.00 0.00 C ATOM 311 O LYS A 20 -8.611 -5.472 -1.645 1.00 0.00 O ATOM 312 CB LYS A 20 -10.798 -2.977 -2.164 1.00 0.00 C ATOM 313 CG LYS A 20 -11.680 -4.228 -2.322 1.00 0.00 C ATOM 314 CD LYS A 20 -12.186 -4.860 -0.997 1.00 0.00 C ATOM 315 CE LYS A 20 -11.186 -5.846 -0.366 1.00 0.00 C ATOM 316 NZ LYS A 20 -11.646 -6.505 0.877 1.00 0.00 N ATOM 0 H LYS A 20 -9.142 -1.193 -1.870 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.612 -3.567 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -11.341 -2.237 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.630 -2.540 -3.148 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.544 -3.967 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.116 -4.982 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.400 -4.065 -0.283 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.125 -5.379 -1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.949 -6.616 -1.100 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.260 -5.312 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.024 -7.310 1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.617 -5.824 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.620 -6.845 0.749 1.00 0.00 H new ATOM 330 N ARG A 21 -8.102 -4.133 -3.378 1.00 0.00 N ATOM 331 CA ARG A 21 -7.294 -5.157 -4.036 1.00 0.00 C ATOM 332 C ARG A 21 -6.163 -5.503 -3.103 1.00 0.00 C ATOM 333 O ARG A 21 -6.089 -6.657 -2.721 1.00 0.00 O ATOM 334 CB ARG A 21 -6.736 -4.727 -5.398 1.00 0.00 C ATOM 335 CG ARG A 21 -5.944 -5.831 -6.113 1.00 0.00 C ATOM 336 CD ARG A 21 -5.207 -5.312 -7.364 1.00 0.00 C ATOM 337 NE ARG A 21 -4.152 -6.255 -7.739 1.00 0.00 N ATOM 338 CZ ARG A 21 -3.601 -6.523 -8.924 1.00 0.00 C ATOM 339 NH1 ARG A 21 -3.854 -5.788 -10.005 1.00 0.00 N ATOM 340 NH2 ARG A 21 -2.778 -7.558 -8.985 1.00 0.00 N ATOM 0 H ARG A 21 -8.188 -3.257 -3.894 1.00 0.00 H new ATOM 0 HA ARG A 21 -7.935 -6.014 -4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.561 -4.412 -6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.091 -3.860 -5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.220 -6.261 -5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.624 -6.633 -6.402 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.910 -5.190 -8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.777 -4.330 -7.164 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.774 -6.799 -6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.487 -4.991 -9.943 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.415 -6.022 -10.895 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.590 -8.110 -8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.332 -7.803 -9.869 1.00 0.00 H new ATOM 354 N VAL A 22 -5.320 -4.524 -2.766 1.00 0.00 N ATOM 355 CA VAL A 22 -4.059 -4.800 -2.102 1.00 0.00 C ATOM 356 C VAL A 22 -4.341 -5.569 -0.787 1.00 0.00 C ATOM 357 O VAL A 22 -3.673 -6.570 -0.542 1.00 0.00 O ATOM 358 CB VAL A 22 -3.188 -3.514 -2.009 1.00 0.00 C ATOM 359 CG1 VAL A 22 -1.720 -3.838 -1.694 1.00 0.00 C ATOM 360 CG2 VAL A 22 -3.125 -2.719 -3.339 1.00 0.00 C ATOM 0 H VAL A 22 -5.494 -3.535 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.426 -5.471 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.670 -2.934 -1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.147 -2.912 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.659 -4.361 -0.739 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.310 -4.471 -2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.502 -1.835 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.698 -3.349 -4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.131 -2.414 -3.629 1.00 0.00 H new ATOM 370 N VAL A 23 -5.378 -5.217 -0.004 1.00 0.00 N ATOM 371 CA VAL A 23 -5.746 -5.973 1.196 1.00 0.00 C ATOM 372 C VAL A 23 -6.168 -7.399 0.850 1.00 0.00 C ATOM 373 O VAL A 23 -5.627 -8.302 1.469 1.00 0.00 O ATOM 374 CB VAL A 23 -6.752 -5.235 2.120 1.00 0.00 C ATOM 375 CG1 VAL A 23 -8.200 -5.199 1.633 1.00 0.00 C ATOM 376 CG2 VAL A 23 -6.739 -5.833 3.535 1.00 0.00 C ATOM 0 H VAL A 23 -5.974 -4.410 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.842 -6.050 1.801 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.395 -4.205 2.111 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.813 -4.660 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.247 -4.694 0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.574 -6.217 1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.452 -5.298 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.016 -6.886 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.740 -5.739 3.960 1.00 0.00 H new ATOM 386 N GLU A 24 -7.067 -7.644 -0.115 1.00 0.00 N ATOM 387 CA GLU A 24 -7.471 -9.022 -0.440 1.00 0.00 C ATOM 388 C GLU A 24 -6.243 -9.848 -0.868 1.00 0.00 C ATOM 389 O GLU A 24 -6.027 -10.998 -0.461 1.00 0.00 O ATOM 390 CB GLU A 24 -8.518 -9.000 -1.579 1.00 0.00 C ATOM 391 CG GLU A 24 -9.724 -9.907 -1.306 1.00 0.00 C ATOM 392 CD GLU A 24 -10.733 -9.232 -0.375 1.00 0.00 C ATOM 393 OE1 GLU A 24 -10.429 -8.997 0.817 1.00 0.00 O ATOM 394 OE2 GLU A 24 -11.853 -8.889 -0.812 1.00 0.00 O ATOM 0 H GLU A 24 -7.521 -6.922 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.911 -9.483 0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.866 -7.977 -1.725 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.041 -9.310 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.210 -10.161 -2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.384 -10.842 -0.860 1.00 0.00 H new ATOM 401 N GLU A 25 -5.443 -9.202 -1.709 1.00 0.00 N ATOM 402 CA GLU A 25 -4.292 -9.689 -2.433 1.00 0.00 C ATOM 403 C GLU A 25 -3.184 -10.157 -1.491 1.00 0.00 C ATOM 404 O GLU A 25 -2.543 -11.167 -1.784 1.00 0.00 O ATOM 405 CB GLU A 25 -3.881 -8.555 -3.387 1.00 0.00 C ATOM 406 CG GLU A 25 -2.566 -8.788 -4.124 1.00 0.00 C ATOM 407 CD GLU A 25 -2.629 -8.047 -5.448 1.00 0.00 C ATOM 408 OE1 GLU A 25 -2.785 -6.808 -5.424 1.00 0.00 O ATOM 409 OE2 GLU A 25 -2.622 -8.699 -6.519 1.00 0.00 O ATOM 0 H GLU A 25 -5.611 -8.218 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 25 -4.520 -10.584 -3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.673 -8.412 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.803 -7.629 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.727 -8.430 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.407 -9.853 -4.291 1.00 0.00 H new ATOM 416 N VAL A 26 -2.989 -9.499 -0.344 1.00 0.00 N ATOM 417 CA VAL A 26 -2.026 -9.968 0.656 1.00 0.00 C ATOM 418 C VAL A 26 -2.673 -10.606 1.885 1.00 0.00 C ATOM 419 O VAL A 26 -2.016 -11.413 2.538 1.00 0.00 O ATOM 420 CB VAL A 26 -1.055 -8.854 1.049 1.00 0.00 C ATOM 421 CG1 VAL A 26 -0.134 -8.481 -0.096 1.00 0.00 C ATOM 422 CG2 VAL A 26 -1.762 -7.583 1.514 1.00 0.00 C ATOM 0 H VAL A 26 -3.483 -8.644 -0.086 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.462 -10.768 0.176 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.480 -9.264 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.540 -7.686 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.448 -9.353 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.727 -8.135 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.020 -6.830 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.393 -7.203 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.378 -7.807 2.385 1.00 0.00 H new ATOM 432 N ALA A 27 -3.948 -10.350 2.191 1.00 0.00 N ATOM 433 CA ALA A 27 -4.670 -11.100 3.215 1.00 0.00 C ATOM 434 C ALA A 27 -4.796 -12.565 2.804 1.00 0.00 C ATOM 435 O ALA A 27 -4.904 -13.432 3.668 1.00 0.00 O ATOM 436 CB ALA A 27 -6.054 -10.508 3.472 1.00 0.00 C ATOM 0 H ALA A 27 -4.502 -9.623 1.739 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.099 -11.033 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.562 -11.091 4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.952 -9.476 3.809 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.637 -10.533 2.551 1.00 0.00 H new ATOM 442 N ASN A 28 -4.722 -12.860 1.502 1.00 0.00 N ATOM 443 CA ASN A 28 -4.493 -14.215 1.005 1.00 0.00 C ATOM 444 C ASN A 28 -3.328 -14.902 1.725 1.00 0.00 C ATOM 445 O ASN A 28 -3.454 -16.066 2.103 1.00 0.00 O ATOM 446 CB ASN A 28 -4.264 -14.204 -0.515 1.00 0.00 C ATOM 447 CG ASN A 28 -5.529 -14.620 -1.241 1.00 0.00 C ATOM 448 OD1 ASN A 28 -5.647 -15.753 -1.689 1.00 0.00 O ATOM 449 ND2 ASN A 28 -6.534 -13.760 -1.298 1.00 0.00 N ATOM 0 H ASN A 28 -4.820 -12.163 0.764 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.391 -14.795 1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.963 -13.207 -0.837 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.450 -14.881 -0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.420 -14.039 -1.719 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.422 -12.819 -0.921 1.00 0.00 H new ATOM 456 N GLU A 29 -2.205 -14.214 1.930 1.00 0.00 N ATOM 457 CA GLU A 29 -1.038 -14.737 2.640 1.00 0.00 C ATOM 458 C GLU A 29 -1.167 -14.528 4.154 1.00 0.00 C ATOM 459 O GLU A 29 -0.795 -15.409 4.934 1.00 0.00 O ATOM 460 CB GLU A 29 0.229 -14.026 2.132 1.00 0.00 C ATOM 461 CG GLU A 29 0.719 -14.553 0.775 1.00 0.00 C ATOM 462 CD GLU A 29 1.418 -15.901 0.928 1.00 0.00 C ATOM 463 OE1 GLU A 29 2.570 -15.935 1.416 1.00 0.00 O ATOM 464 OE2 GLU A 29 0.810 -16.950 0.612 1.00 0.00 O ATOM 0 H GLU A 29 -2.079 -13.257 1.600 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.972 -15.808 2.448 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.029 -12.958 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.024 -14.145 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.126 -14.654 0.094 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.405 -13.833 0.328 1.00 0.00 H new ATOM 471 N MET A 30 -1.655 -13.365 4.585 1.00 0.00 N ATOM 472 CA MET A 30 -1.549 -12.881 5.958 1.00 0.00 C ATOM 473 C MET A 30 -2.865 -12.217 6.397 1.00 0.00 C ATOM 474 O MET A 30 -2.946 -10.988 6.466 1.00 0.00 O ATOM 475 CB MET A 30 -0.334 -11.940 6.043 1.00 0.00 C ATOM 476 CG MET A 30 0.970 -12.712 6.273 1.00 0.00 C ATOM 477 SD MET A 30 2.472 -11.694 6.294 1.00 0.00 S ATOM 478 CE MET A 30 2.673 -11.442 4.511 1.00 0.00 C ATOM 0 H MET A 30 -2.148 -12.717 3.971 1.00 0.00 H new ATOM 0 HA MET A 30 -1.388 -13.705 6.653 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.257 -11.362 5.122 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.482 -11.227 6.854 1.00 0.00 H new ATOM 0 HG2 MET A 30 0.897 -13.244 7.221 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.071 -13.465 5.492 1.00 0.00 H new ATOM 0 HE1 MET A 30 3.620 -10.938 4.319 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.666 -12.407 4.004 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.854 -10.829 4.136 1.00 0.00 H new ATOM 488 N PRO A 31 -3.920 -12.993 6.700 1.00 0.00 N ATOM 489 CA PRO A 31 -5.242 -12.484 7.075 1.00 0.00 C ATOM 490 C PRO A 31 -5.291 -11.892 8.503 1.00 0.00 C ATOM 491 O PRO A 31 -6.262 -12.107 9.230 1.00 0.00 O ATOM 492 CB PRO A 31 -6.182 -13.685 6.871 1.00 0.00 C ATOM 493 CG PRO A 31 -5.284 -14.878 7.178 1.00 0.00 C ATOM 494 CD PRO A 31 -3.948 -14.446 6.593 1.00 0.00 C ATOM 0 HA PRO A 31 -5.539 -11.632 6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.041 -13.644 7.540 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.572 -13.724 5.854 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.215 -15.069 8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.653 -15.793 6.714 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.118 -14.895 7.139 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.855 -14.764 5.555 1.00 0.00 H new ATOM 502 N ASP A 32 -4.300 -11.095 8.912 1.00 0.00 N ATOM 503 CA ASP A 32 -4.149 -10.470 10.234 1.00 0.00 C ATOM 504 C ASP A 32 -2.890 -9.611 10.233 1.00 0.00 C ATOM 505 O ASP A 32 -2.966 -8.417 10.529 1.00 0.00 O ATOM 506 CB ASP A 32 -4.012 -11.528 11.342 1.00 0.00 C ATOM 507 CG ASP A 32 -3.831 -10.948 12.748 1.00 0.00 C ATOM 508 OD1 ASP A 32 -2.820 -10.269 13.028 1.00 0.00 O ATOM 509 OD2 ASP A 32 -4.690 -11.263 13.609 1.00 0.00 O ATOM 0 H ASP A 32 -3.530 -10.852 8.289 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.037 -9.869 10.430 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.899 -12.162 11.335 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.160 -12.169 11.113 1.00 0.00 H new ATOM 514 N ALA A 33 -1.745 -10.197 9.862 1.00 0.00 N ATOM 515 CA ALA A 33 -0.484 -9.471 9.827 1.00 0.00 C ATOM 516 C ALA A 33 -0.470 -8.399 8.743 1.00 0.00 C ATOM 517 O ALA A 33 0.271 -7.432 8.890 1.00 0.00 O ATOM 518 CB ALA A 33 0.693 -10.423 9.610 1.00 0.00 C ATOM 0 H ALA A 33 -1.673 -11.175 9.582 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.382 -8.982 10.796 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.622 -9.854 9.588 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.730 -11.147 10.424 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.567 -10.948 8.663 1.00 0.00 H new ATOM 524 N VAL A 34 -1.219 -8.560 7.652 1.00 0.00 N ATOM 525 CA VAL A 34 -1.416 -7.478 6.702 1.00 0.00 C ATOM 526 C VAL A 34 -2.417 -6.511 7.294 1.00 0.00 C ATOM 527 O VAL A 34 -3.512 -6.931 7.679 1.00 0.00 O ATOM 528 CB VAL A 34 -1.898 -8.035 5.347 1.00 0.00 C ATOM 529 CG1 VAL A 34 -2.776 -7.069 4.535 1.00 0.00 C ATOM 530 CG2 VAL A 34 -0.672 -8.575 4.610 1.00 0.00 C ATOM 0 H VAL A 34 -1.696 -9.428 7.409 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.477 -6.956 6.516 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.597 -8.854 5.516 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.069 -7.543 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.668 -6.818 5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.215 -6.159 4.321 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.976 -8.978 3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.045 -7.768 4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.209 -9.364 5.203 1.00 0.00 H new ATOM 540 N GLU A 35 -2.090 -5.224 7.249 1.00 0.00 N ATOM 541 CA GLU A 35 -3.093 -4.177 7.342 1.00 0.00 C ATOM 542 C GLU A 35 -2.796 -3.142 6.257 1.00 0.00 C ATOM 543 O GLU A 35 -1.667 -3.048 5.768 1.00 0.00 O ATOM 544 CB GLU A 35 -3.131 -3.588 8.750 1.00 0.00 C ATOM 545 CG GLU A 35 -3.605 -4.631 9.771 1.00 0.00 C ATOM 546 CD GLU A 35 -3.658 -4.037 11.162 1.00 0.00 C ATOM 547 OE1 GLU A 35 -4.565 -3.228 11.444 1.00 0.00 O ATOM 548 OE2 GLU A 35 -2.748 -4.352 11.966 1.00 0.00 O ATOM 0 H GLU A 35 -1.134 -4.883 7.148 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.093 -4.575 7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.139 -3.230 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.798 -2.726 8.769 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.592 -4.999 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.931 -5.488 9.762 1.00 0.00 H new ATOM 555 N VAL A 36 -3.837 -2.422 5.842 1.00 0.00 N ATOM 556 CA VAL A 36 -3.836 -1.547 4.682 1.00 0.00 C ATOM 557 C VAL A 36 -4.471 -0.239 5.127 1.00 0.00 C ATOM 558 O VAL A 36 -5.671 -0.206 5.420 1.00 0.00 O ATOM 559 CB VAL A 36 -4.589 -2.206 3.505 1.00 0.00 C ATOM 560 CG1 VAL A 36 -4.699 -1.271 2.290 1.00 0.00 C ATOM 561 CG2 VAL A 36 -3.897 -3.502 3.062 1.00 0.00 C ATOM 0 H VAL A 36 -4.735 -2.436 6.326 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.827 -1.359 4.315 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.591 -2.426 3.872 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -5.236 -1.778 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.239 -0.368 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -3.700 -1.003 1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.449 -3.944 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.879 -3.280 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.871 -4.204 3.895 1.00 0.00 H new ATOM 571 N GLU A 37 -3.691 0.832 5.212 1.00 0.00 N ATOM 572 CA GLU A 37 -4.203 2.154 5.501 1.00 0.00 C ATOM 573 C GLU A 37 -4.523 2.800 4.155 1.00 0.00 C ATOM 574 O GLU A 37 -3.622 3.159 3.399 1.00 0.00 O ATOM 575 CB GLU A 37 -3.179 2.952 6.312 1.00 0.00 C ATOM 576 CG GLU A 37 -3.095 2.520 7.784 1.00 0.00 C ATOM 577 CD GLU A 37 -2.221 1.291 8.058 1.00 0.00 C ATOM 578 OE1 GLU A 37 -2.751 0.154 8.021 1.00 0.00 O ATOM 579 OE2 GLU A 37 -1.037 1.468 8.447 1.00 0.00 O ATOM 0 H GLU A 37 -2.680 0.801 5.081 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.105 2.120 6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.197 2.842 5.852 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.435 4.010 6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.711 3.356 8.369 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.103 2.315 8.143 1.00 0.00 H new ATOM 586 N TYR A 38 -5.804 2.890 3.799 1.00 0.00 N ATOM 587 CA TYR A 38 -6.236 3.714 2.678 1.00 0.00 C ATOM 588 C TYR A 38 -6.316 5.151 3.190 1.00 0.00 C ATOM 589 O TYR A 38 -7.220 5.449 3.971 1.00 0.00 O ATOM 590 CB TYR A 38 -7.595 3.239 2.155 1.00 0.00 C ATOM 591 CG TYR A 38 -8.012 3.936 0.873 1.00 0.00 C ATOM 592 CD1 TYR A 38 -7.180 3.895 -0.264 1.00 0.00 C ATOM 593 CD2 TYR A 38 -9.212 4.666 0.824 1.00 0.00 C ATOM 594 CE1 TYR A 38 -7.536 4.575 -1.437 1.00 0.00 C ATOM 595 CE2 TYR A 38 -9.577 5.354 -0.346 1.00 0.00 C ATOM 596 CZ TYR A 38 -8.734 5.321 -1.480 1.00 0.00 C ATOM 597 OH TYR A 38 -9.066 6.009 -2.607 1.00 0.00 O ATOM 0 H TYR A 38 -6.561 2.399 4.275 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.535 3.643 1.846 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -7.556 2.164 1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.353 3.411 2.919 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -6.258 3.333 -0.231 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.857 4.698 1.690 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.896 4.528 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -10.503 5.909 -0.379 1.00 0.00 H new ATOM 0 HH TYR A 38 -9.921 6.468 -2.470 1.00 0.00 H new ATOM 607 N ILE A 39 -5.382 6.027 2.808 1.00 0.00 N ATOM 608 CA ILE A 39 -5.358 7.399 3.315 1.00 0.00 C ATOM 609 C ILE A 39 -5.269 8.350 2.129 1.00 0.00 C ATOM 610 O ILE A 39 -4.182 8.687 1.660 1.00 0.00 O ATOM 611 CB ILE A 39 -4.316 7.625 4.443 1.00 0.00 C ATOM 612 CG1 ILE A 39 -2.811 7.431 4.141 1.00 0.00 C ATOM 613 CG2 ILE A 39 -4.717 6.832 5.699 1.00 0.00 C ATOM 614 CD1 ILE A 39 -2.319 6.006 3.886 1.00 0.00 C ATOM 0 H ILE A 39 -4.634 5.809 2.150 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.290 7.618 3.836 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.372 8.704 4.588 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.563 8.034 3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.245 7.837 4.979 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.980 6.997 6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.695 7.167 6.044 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.760 5.769 5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.247 6.021 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.518 5.390 4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.841 5.590 3.024 1.00 0.00 H new ATOM 626 N ASN A 40 -6.426 8.736 1.578 1.00 0.00 N ATOM 627 CA ASN A 40 -6.402 9.613 0.418 1.00 0.00 C ATOM 628 C ASN A 40 -5.845 10.988 0.791 1.00 0.00 C ATOM 629 O ASN A 40 -6.364 11.625 1.709 1.00 0.00 O ATOM 630 CB ASN A 40 -7.713 9.692 -0.383 1.00 0.00 C ATOM 631 CG ASN A 40 -8.979 9.986 0.412 1.00 0.00 C ATOM 632 OD1 ASN A 40 -9.905 9.184 0.396 1.00 0.00 O ATOM 633 ND2 ASN A 40 -9.066 11.106 1.108 1.00 0.00 N ATOM 0 H ASN A 40 -7.353 8.464 1.906 1.00 0.00 H new ATOM 0 HA ASN A 40 -5.718 9.142 -0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.601 10.464 -1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.851 8.746 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.911 11.311 1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.288 11.765 1.113 1.00 0.00 H new ATOM 640 N VAL A 41 -4.784 11.424 0.108 1.00 0.00 N ATOM 641 CA VAL A 41 -4.075 12.677 0.345 1.00 0.00 C ATOM 642 C VAL A 41 -5.089 13.813 0.246 1.00 0.00 C ATOM 643 O VAL A 41 -5.675 14.027 -0.821 1.00 0.00 O ATOM 644 CB VAL A 41 -2.892 12.877 -0.631 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.995 14.025 -0.146 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.035 11.613 -0.783 1.00 0.00 C ATOM 0 H VAL A 41 -4.380 10.887 -0.659 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.628 12.660 1.339 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.325 13.112 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.165 14.157 -0.841 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.577 14.945 -0.097 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.605 13.789 0.844 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.219 11.808 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.625 11.332 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.651 10.799 -1.166 1.00 0.00 H new ATOM 656 N MET A 42 -5.324 14.461 1.384 1.00 0.00 N ATOM 657 CA MET A 42 -6.237 15.565 1.602 1.00 0.00 C ATOM 658 C MET A 42 -5.719 16.193 2.904 1.00 0.00 C ATOM 659 O MET A 42 -4.560 16.601 2.917 1.00 0.00 O ATOM 660 CB MET A 42 -7.683 15.032 1.615 1.00 0.00 C ATOM 661 CG MET A 42 -8.703 16.163 1.500 1.00 0.00 C ATOM 662 SD MET A 42 -10.394 15.584 1.200 1.00 0.00 S ATOM 663 CE MET A 42 -11.266 17.092 1.701 1.00 0.00 C ATOM 0 H MET A 42 -4.839 14.202 2.243 1.00 0.00 H new ATOM 0 HA MET A 42 -6.269 16.331 0.828 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.821 14.333 0.790 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.858 14.477 2.536 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.686 16.751 2.417 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.406 16.828 0.689 1.00 0.00 H new ATOM 0 HE1 MET A 42 -12.340 16.945 1.590 1.00 0.00 H new ATOM 0 HE2 MET A 42 -11.036 17.316 2.742 1.00 0.00 H new ATOM 0 HE3 MET A 42 -10.947 17.923 1.072 1.00 0.00 H new ATOM 673 N GLU A 43 -6.450 16.148 4.022 1.00 0.00 N ATOM 674 CA GLU A 43 -5.893 16.477 5.343 1.00 0.00 C ATOM 675 C GLU A 43 -4.879 15.418 5.795 1.00 0.00 C ATOM 676 O GLU A 43 -4.042 15.679 6.659 1.00 0.00 O ATOM 677 CB GLU A 43 -7.002 16.562 6.405 1.00 0.00 C ATOM 678 CG GLU A 43 -7.967 17.738 6.207 1.00 0.00 C ATOM 679 CD GLU A 43 -8.820 17.611 4.943 1.00 0.00 C ATOM 680 OE1 GLU A 43 -9.262 16.472 4.669 1.00 0.00 O ATOM 681 OE2 GLU A 43 -8.973 18.617 4.220 1.00 0.00 O ATOM 0 H GLU A 43 -7.435 15.885 4.041 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.399 17.444 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.571 15.633 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.542 16.645 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.623 17.811 7.074 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.395 18.665 6.160 1.00 0.00 H new ATOM 688 N ASN A 44 -4.978 14.214 5.223 1.00 0.00 N ATOM 689 CA ASN A 44 -4.115 13.067 5.508 1.00 0.00 C ATOM 690 C ASN A 44 -2.641 13.471 5.366 1.00 0.00 C ATOM 691 O ASN A 44 -2.211 13.744 4.243 1.00 0.00 O ATOM 692 CB ASN A 44 -4.447 11.873 4.597 1.00 0.00 C ATOM 693 CG ASN A 44 -5.606 11.064 5.158 1.00 0.00 C ATOM 694 OD1 ASN A 44 -5.532 10.564 6.272 1.00 0.00 O ATOM 695 ND2 ASN A 44 -6.685 10.898 4.414 1.00 0.00 N ATOM 0 H ASN A 44 -5.689 14.005 4.522 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.296 12.751 6.535 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.699 12.232 3.599 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.570 11.235 4.494 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.468 10.348 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.735 11.320 3.487 1.00 0.00 H new ATOM 702 N PRO A 45 -1.863 13.526 6.466 1.00 0.00 N ATOM 703 CA PRO A 45 -0.579 14.214 6.487 1.00 0.00 C ATOM 704 C PRO A 45 0.479 13.486 5.662 1.00 0.00 C ATOM 705 O PRO A 45 0.430 12.268 5.491 1.00 0.00 O ATOM 706 CB PRO A 45 -0.170 14.284 7.965 1.00 0.00 C ATOM 707 CG PRO A 45 -0.919 13.117 8.605 1.00 0.00 C ATOM 708 CD PRO A 45 -2.214 13.068 7.801 1.00 0.00 C ATOM 0 HA PRO A 45 -0.665 15.204 6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.908 14.183 8.087 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.453 15.236 8.414 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.359 12.185 8.527 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.107 13.289 9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.621 12.057 7.774 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.977 13.707 8.247 1.00 0.00 H new ATOM 716 N GLN A 46 1.517 14.224 5.260 1.00 0.00 N ATOM 717 CA GLN A 46 2.663 13.781 4.462 1.00 0.00 C ATOM 718 C GLN A 46 3.563 12.733 5.147 1.00 0.00 C ATOM 719 O GLN A 46 4.684 12.531 4.702 1.00 0.00 O ATOM 720 CB GLN A 46 3.481 15.017 4.033 1.00 0.00 C ATOM 721 CG GLN A 46 2.726 15.892 3.020 1.00 0.00 C ATOM 722 CD GLN A 46 3.605 17.043 2.538 1.00 0.00 C ATOM 723 OE1 GLN A 46 3.800 18.020 3.247 1.00 0.00 O ATOM 724 NE2 GLN A 46 4.158 16.960 1.338 1.00 0.00 N ATOM 0 H GLN A 46 1.583 15.213 5.500 1.00 0.00 H new ATOM 0 HA GLN A 46 2.258 13.263 3.593 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.725 15.612 4.913 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.425 14.692 3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.414 15.285 2.170 1.00 0.00 H new ATOM 0 HG3 GLN A 46 1.820 16.288 3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.989 16.141 0.754 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.753 17.715 0.997 1.00 0.00 H new ATOM 733 N LYS A 47 3.112 12.011 6.175 1.00 0.00 N ATOM 734 CA LYS A 47 3.896 10.959 6.831 1.00 0.00 C ATOM 735 C LYS A 47 4.356 9.840 5.882 1.00 0.00 C ATOM 736 O LYS A 47 5.205 9.041 6.258 1.00 0.00 O ATOM 737 CB LYS A 47 3.117 10.393 8.038 1.00 0.00 C ATOM 738 CG LYS A 47 2.222 9.168 7.749 1.00 0.00 C ATOM 739 CD LYS A 47 1.089 9.431 6.740 1.00 0.00 C ATOM 740 CE LYS A 47 0.507 8.161 6.122 1.00 0.00 C ATOM 741 NZ LYS A 47 0.219 7.115 7.119 1.00 0.00 N ATOM 0 H LYS A 47 2.185 12.140 6.580 1.00 0.00 H new ATOM 0 HA LYS A 47 4.815 11.428 7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.834 10.120 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.492 11.187 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.847 8.358 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.785 8.824 8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.291 9.980 7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.466 10.072 5.943 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.411 8.410 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.207 7.769 5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.369 6.374 6.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.112 6.698 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.290 7.533 7.924 1.00 0.00 H new ATOM 755 N ALA A 48 3.712 9.670 4.721 1.00 0.00 N ATOM 756 CA ALA A 48 4.235 8.854 3.634 1.00 0.00 C ATOM 757 C ALA A 48 5.070 9.675 2.645 1.00 0.00 C ATOM 758 O ALA A 48 6.021 9.184 2.057 1.00 0.00 O ATOM 759 CB ALA A 48 3.099 8.132 2.921 1.00 0.00 C ATOM 0 H ALA A 48 2.810 10.099 4.515 1.00 0.00 H new ATOM 0 HA ALA A 48 4.903 8.112 4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.505 7.526 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.576 7.489 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.402 8.864 2.513 1.00 0.00 H new ATOM 765 N MET A 49 4.687 10.929 2.399 1.00 0.00 N ATOM 766 CA MET A 49 5.392 11.806 1.468 1.00 0.00 C ATOM 767 C MET A 49 6.755 12.259 2.008 1.00 0.00 C ATOM 768 O MET A 49 7.519 12.861 1.264 1.00 0.00 O ATOM 769 CB MET A 49 4.516 13.017 1.110 1.00 0.00 C ATOM 770 CG MET A 49 4.451 13.207 -0.403 1.00 0.00 C ATOM 771 SD MET A 49 3.399 14.588 -0.921 1.00 0.00 S ATOM 772 CE MET A 49 3.701 14.509 -2.707 1.00 0.00 C ATOM 0 H MET A 49 3.877 11.364 2.841 1.00 0.00 H new ATOM 0 HA MET A 49 5.588 11.229 0.564 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.511 12.875 1.507 1.00 0.00 H new ATOM 0 HB3 MET A 49 4.920 13.915 1.577 1.00 0.00 H new ATOM 0 HG2 MET A 49 5.460 13.368 -0.783 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.081 12.289 -0.860 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.132 15.292 -3.207 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.764 14.651 -2.903 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.389 13.536 -3.086 1.00 0.00 H new ATOM 782 N GLU A 50 7.074 11.981 3.274 1.00 0.00 N ATOM 783 CA GLU A 50 8.414 12.127 3.827 1.00 0.00 C ATOM 784 C GLU A 50 9.419 11.214 3.101 1.00 0.00 C ATOM 785 O GLU A 50 10.616 11.507 3.066 1.00 0.00 O ATOM 786 CB GLU A 50 8.383 11.835 5.343 1.00 0.00 C ATOM 787 CG GLU A 50 8.127 10.350 5.667 1.00 0.00 C ATOM 788 CD GLU A 50 7.914 10.057 7.160 1.00 0.00 C ATOM 789 OE1 GLU A 50 7.182 10.812 7.846 1.00 0.00 O ATOM 790 OE2 GLU A 50 8.447 9.024 7.634 1.00 0.00 O ATOM 0 H GLU A 50 6.392 11.642 3.953 1.00 0.00 H new ATOM 0 HA GLU A 50 8.748 13.153 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.332 12.139 5.785 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.606 12.442 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.249 10.016 5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.972 9.761 5.310 1.00 0.00 H new ATOM 797 N TYR A 51 8.949 10.096 2.534 1.00 0.00 N ATOM 798 CA TYR A 51 9.795 9.119 1.876 1.00 0.00 C ATOM 799 C TYR A 51 10.329 9.688 0.579 1.00 0.00 C ATOM 800 O TYR A 51 9.550 10.131 -0.260 1.00 0.00 O ATOM 801 CB TYR A 51 8.989 7.870 1.528 1.00 0.00 C ATOM 802 CG TYR A 51 8.328 7.153 2.701 1.00 0.00 C ATOM 803 CD1 TYR A 51 8.952 7.098 3.964 1.00 0.00 C ATOM 804 CD2 TYR A 51 7.059 6.563 2.538 1.00 0.00 C ATOM 805 CE1 TYR A 51 8.268 6.571 5.073 1.00 0.00 C ATOM 806 CE2 TYR A 51 6.377 6.008 3.636 1.00 0.00 C ATOM 807 CZ TYR A 51 6.963 6.056 4.920 1.00 0.00 C ATOM 808 OH TYR A 51 6.272 5.594 5.999 1.00 0.00 O ATOM 0 H TYR A 51 7.959 9.851 2.524 1.00 0.00 H new ATOM 0 HA TYR A 51 10.611 8.870 2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.213 8.149 0.815 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.649 7.165 1.022 1.00 0.00 H new ATOM 0 HD1 TYR A 51 9.962 7.463 4.080 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.605 6.537 1.559 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.742 6.560 6.044 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.410 5.547 3.498 1.00 0.00 H new ATOM 0 HH TYR A 51 5.390 5.277 5.712 1.00 0.00 H new ATOM 818 N GLY A 52 11.635 9.550 0.358 1.00 0.00 N ATOM 819 CA GLY A 52 12.365 10.127 -0.761 1.00 0.00 C ATOM 820 C GLY A 52 11.938 9.694 -2.168 1.00 0.00 C ATOM 821 O GLY A 52 12.544 10.163 -3.125 1.00 0.00 O ATOM 0 H GLY A 52 12.235 9.010 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.278 11.212 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.421 9.885 -0.638 1.00 0.00 H new ATOM 825 N ILE A 53 10.931 8.827 -2.325 1.00 0.00 N ATOM 826 CA ILE A 53 10.234 8.679 -3.598 1.00 0.00 C ATOM 827 C ILE A 53 9.507 9.988 -3.932 1.00 0.00 C ATOM 828 O ILE A 53 9.622 10.490 -5.047 1.00 0.00 O ATOM 829 CB ILE A 53 9.293 7.441 -3.592 1.00 0.00 C ATOM 830 CG1 ILE A 53 8.430 7.369 -4.874 1.00 0.00 C ATOM 831 CG2 ILE A 53 8.368 7.331 -2.362 1.00 0.00 C ATOM 832 CD1 ILE A 53 9.294 7.189 -6.130 1.00 0.00 C ATOM 0 H ILE A 53 10.584 8.219 -1.583 1.00 0.00 H new ATOM 0 HA ILE A 53 10.957 8.488 -4.391 1.00 0.00 H new ATOM 0 HB ILE A 53 9.981 6.596 -3.548 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.727 6.540 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.839 8.280 -4.966 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.751 6.437 -2.450 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.972 7.268 -1.457 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.726 8.211 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.652 7.143 -7.010 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.979 8.032 -6.224 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.866 6.264 -6.049 1.00 0.00 H new ATOM 844 N MET A 54 8.738 10.508 -2.971 1.00 0.00 N ATOM 845 CA MET A 54 7.876 11.693 -2.967 1.00 0.00 C ATOM 846 C MET A 54 6.857 11.825 -4.114 1.00 0.00 C ATOM 847 O MET A 54 5.967 12.672 -4.042 1.00 0.00 O ATOM 848 CB MET A 54 8.722 12.960 -2.761 1.00 0.00 C ATOM 849 CG MET A 54 9.574 12.846 -1.491 1.00 0.00 C ATOM 850 SD MET A 54 10.433 14.361 -0.994 1.00 0.00 S ATOM 851 CE MET A 54 10.912 13.861 0.682 1.00 0.00 C ATOM 0 H MET A 54 8.701 10.048 -2.061 1.00 0.00 H new ATOM 0 HA MET A 54 7.213 11.552 -2.114 1.00 0.00 H new ATOM 0 HB2 MET A 54 9.368 13.116 -3.625 1.00 0.00 H new ATOM 0 HB3 MET A 54 8.070 13.830 -2.690 1.00 0.00 H new ATOM 0 HG2 MET A 54 8.932 12.527 -0.670 1.00 0.00 H new ATOM 0 HG3 MET A 54 10.315 12.061 -1.640 1.00 0.00 H new ATOM 0 HE1 MET A 54 11.460 14.672 1.161 1.00 0.00 H new ATOM 0 HE2 MET A 54 10.018 13.634 1.263 1.00 0.00 H new ATOM 0 HE3 MET A 54 11.546 12.976 0.630 1.00 0.00 H new ATOM 861 N ALA A 55 6.923 10.974 -5.137 1.00 0.00 N ATOM 862 CA ALA A 55 5.868 10.737 -6.103 1.00 0.00 C ATOM 863 C ALA A 55 4.691 9.998 -5.443 1.00 0.00 C ATOM 864 O ALA A 55 4.667 9.764 -4.232 1.00 0.00 O ATOM 865 CB ALA A 55 6.452 9.976 -7.296 1.00 0.00 C ATOM 0 H ALA A 55 7.753 10.409 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 55 5.468 11.682 -6.470 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.667 9.792 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.244 10.569 -7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.861 9.025 -6.956 1.00 0.00 H new ATOM 871 N VAL A 56 3.721 9.573 -6.251 1.00 0.00 N ATOM 872 CA VAL A 56 2.350 9.259 -5.852 1.00 0.00 C ATOM 873 C VAL A 56 1.619 8.765 -7.111 1.00 0.00 C ATOM 874 O VAL A 56 1.929 9.284 -8.189 1.00 0.00 O ATOM 875 CB VAL A 56 1.702 10.536 -5.228 1.00 0.00 C ATOM 876 CG1 VAL A 56 1.684 11.759 -6.165 1.00 0.00 C ATOM 877 CG2 VAL A 56 0.276 10.324 -4.699 1.00 0.00 C ATOM 0 H VAL A 56 3.877 9.432 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 56 2.298 8.479 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 56 2.367 10.741 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.218 12.602 -5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.705 12.022 -6.440 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.116 11.520 -7.064 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.100 11.258 -4.283 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.371 10.004 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.286 9.559 -3.923 1.00 0.00 H new ATOM 887 N PRO A 57 0.677 7.792 -7.063 1.00 0.00 N ATOM 888 CA PRO A 57 0.051 7.113 -5.913 1.00 0.00 C ATOM 889 C PRO A 57 1.027 6.357 -5.001 1.00 0.00 C ATOM 890 O PRO A 57 1.523 5.313 -5.386 1.00 0.00 O ATOM 891 CB PRO A 57 -0.989 6.144 -6.520 1.00 0.00 C ATOM 892 CG PRO A 57 -0.560 5.960 -7.962 1.00 0.00 C ATOM 893 CD PRO A 57 0.082 7.296 -8.298 1.00 0.00 C ATOM 0 HA PRO A 57 -0.390 7.862 -5.255 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.000 5.193 -5.987 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.996 6.556 -6.457 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.143 5.135 -8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.408 5.745 -8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.839 7.178 -9.073 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.660 7.997 -8.680 1.00 0.00 H new ATOM 901 N THR A 58 1.288 6.856 -3.796 1.00 0.00 N ATOM 902 CA THR A 58 2.345 6.406 -2.899 1.00 0.00 C ATOM 903 C THR A 58 1.845 5.133 -2.203 1.00 0.00 C ATOM 904 O THR A 58 0.862 5.186 -1.453 1.00 0.00 O ATOM 905 CB THR A 58 2.581 7.577 -1.928 1.00 0.00 C ATOM 906 OG1 THR A 58 2.692 8.806 -2.628 1.00 0.00 O ATOM 907 CG2 THR A 58 3.691 7.511 -0.884 1.00 0.00 C ATOM 0 H THR A 58 0.742 7.621 -3.401 1.00 0.00 H new ATOM 0 HA THR A 58 3.285 6.155 -3.390 1.00 0.00 H new ATOM 0 HB THR A 58 1.680 7.491 -1.321 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.542 8.830 -3.115 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.695 8.431 -0.299 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.519 6.661 -0.223 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.653 7.394 -1.383 1.00 0.00 H new ATOM 915 N ILE A 59 2.470 3.986 -2.484 1.00 0.00 N ATOM 916 CA ILE A 59 2.067 2.687 -1.961 1.00 0.00 C ATOM 917 C ILE A 59 3.214 2.148 -1.115 1.00 0.00 C ATOM 918 O ILE A 59 4.290 1.841 -1.633 1.00 0.00 O ATOM 919 CB ILE A 59 1.676 1.673 -3.059 1.00 0.00 C ATOM 920 CG1 ILE A 59 0.978 2.258 -4.299 1.00 0.00 C ATOM 921 CG2 ILE A 59 0.815 0.558 -2.427 1.00 0.00 C ATOM 922 CD1 ILE A 59 -0.408 2.858 -4.070 1.00 0.00 C ATOM 0 H ILE A 59 3.286 3.939 -3.094 1.00 0.00 H new ATOM 0 HA ILE A 59 1.166 2.825 -1.364 1.00 0.00 H new ATOM 0 HB ILE A 59 2.616 1.283 -3.449 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.620 3.030 -4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.891 1.470 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.534 -0.163 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.387 0.054 -1.648 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.084 0.995 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.800 3.238 -5.013 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.077 2.090 -3.682 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.337 3.674 -3.351 1.00 0.00 H new ATOM 934 N VAL A 60 2.978 2.016 0.183 1.00 0.00 N ATOM 935 CA VAL A 60 3.840 1.229 1.051 1.00 0.00 C ATOM 936 C VAL A 60 3.366 -0.211 0.896 1.00 0.00 C ATOM 937 O VAL A 60 2.154 -0.435 0.937 1.00 0.00 O ATOM 938 CB VAL A 60 3.721 1.738 2.506 1.00 0.00 C ATOM 939 CG1 VAL A 60 4.560 0.942 3.517 1.00 0.00 C ATOM 940 CG2 VAL A 60 4.065 3.235 2.596 1.00 0.00 C ATOM 0 H VAL A 60 2.188 2.449 0.661 1.00 0.00 H new ATOM 0 HA VAL A 60 4.895 1.309 0.790 1.00 0.00 H new ATOM 0 HB VAL A 60 2.678 1.583 2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.422 1.361 4.514 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.241 -0.100 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.613 1.000 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.973 3.568 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.087 3.395 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.378 3.804 1.969 1.00 0.00 H new ATOM 950 N ILE A 61 4.274 -1.176 0.729 1.00 0.00 N ATOM 951 CA ILE A 61 3.977 -2.599 0.954 1.00 0.00 C ATOM 952 C ILE A 61 5.078 -3.207 1.816 1.00 0.00 C ATOM 953 O ILE A 61 6.188 -2.698 1.774 1.00 0.00 O ATOM 954 CB ILE A 61 3.789 -3.363 -0.378 1.00 0.00 C ATOM 955 CG1 ILE A 61 5.085 -3.513 -1.212 1.00 0.00 C ATOM 956 CG2 ILE A 61 2.716 -2.677 -1.248 1.00 0.00 C ATOM 957 CD1 ILE A 61 6.013 -4.677 -0.830 1.00 0.00 C ATOM 0 H ILE A 61 5.234 -0.997 0.435 1.00 0.00 H new ATOM 0 HA ILE A 61 3.029 -2.687 1.484 1.00 0.00 H new ATOM 0 HB ILE A 61 3.476 -4.366 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.806 -3.628 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.651 -2.585 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.597 -3.228 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.767 -2.663 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.024 -1.655 -1.467 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.885 -4.677 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.336 -4.560 0.205 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.477 -5.620 -0.939 1.00 0.00 H new ATOM 969 N ASN A 62 4.837 -4.329 2.513 1.00 0.00 N ATOM 970 CA ASN A 62 5.717 -4.895 3.558 1.00 0.00 C ATOM 971 C ASN A 62 6.111 -3.849 4.623 1.00 0.00 C ATOM 972 O ASN A 62 5.589 -3.874 5.741 1.00 0.00 O ATOM 973 CB ASN A 62 6.930 -5.629 2.938 1.00 0.00 C ATOM 974 CG ASN A 62 8.034 -5.899 3.956 1.00 0.00 C ATOM 975 OD1 ASN A 62 9.019 -5.175 4.019 1.00 0.00 O ATOM 976 ND2 ASN A 62 7.899 -6.895 4.812 1.00 0.00 N ATOM 0 H ASN A 62 3.997 -4.888 2.363 1.00 0.00 H new ATOM 0 HA ASN A 62 5.145 -5.650 4.096 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.598 -6.574 2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.333 -5.031 2.120 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.614 -7.058 5.521 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.080 -7.501 4.764 1.00 0.00 H new ATOM 983 N GLY A 63 7.056 -2.986 4.271 1.00 0.00 N ATOM 984 CA GLY A 63 7.540 -1.781 4.918 1.00 0.00 C ATOM 985 C GLY A 63 8.522 -1.051 3.979 1.00 0.00 C ATOM 986 O GLY A 63 9.383 -0.312 4.452 1.00 0.00 O ATOM 0 H GLY A 63 7.569 -3.142 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.703 -1.128 5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.036 -2.033 5.855 1.00 0.00 H new ATOM 990 N ASP A 64 8.442 -1.345 2.677 1.00 0.00 N ATOM 991 CA ASP A 64 9.047 -0.722 1.500 1.00 0.00 C ATOM 992 C ASP A 64 8.066 0.342 0.989 1.00 0.00 C ATOM 993 O ASP A 64 6.862 0.213 1.222 1.00 0.00 O ATOM 994 CB ASP A 64 9.274 -1.838 0.456 1.00 0.00 C ATOM 995 CG ASP A 64 9.153 -1.366 -0.992 1.00 0.00 C ATOM 996 OD1 ASP A 64 9.947 -0.489 -1.384 1.00 0.00 O ATOM 997 OD2 ASP A 64 8.266 -1.891 -1.707 1.00 0.00 O ATOM 0 H ASP A 64 7.870 -2.138 2.388 1.00 0.00 H new ATOM 0 HA ASP A 64 10.002 -0.242 1.715 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.265 -2.266 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.552 -2.636 0.629 1.00 0.00 H new ATOM 1002 N VAL A 65 8.548 1.402 0.334 1.00 0.00 N ATOM 1003 CA VAL A 65 7.791 2.628 0.085 1.00 0.00 C ATOM 1004 C VAL A 65 8.006 3.049 -1.380 1.00 0.00 C ATOM 1005 O VAL A 65 9.119 3.399 -1.771 1.00 0.00 O ATOM 1006 CB VAL A 65 8.134 3.704 1.153 1.00 0.00 C ATOM 1007 CG1 VAL A 65 7.977 3.185 2.600 1.00 0.00 C ATOM 1008 CG2 VAL A 65 9.546 4.310 1.079 1.00 0.00 C ATOM 0 H VAL A 65 9.495 1.431 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 65 6.718 2.472 0.200 1.00 0.00 H new ATOM 0 HB VAL A 65 7.407 4.478 0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.230 3.980 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.946 2.871 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.644 2.337 2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.668 5.047 1.873 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.288 3.520 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.684 4.793 0.112 1.00 0.00 H new ATOM 1018 N GLU A 66 6.972 2.948 -2.225 1.00 0.00 N ATOM 1019 CA GLU A 66 7.146 2.883 -3.678 1.00 0.00 C ATOM 1020 C GLU A 66 5.948 3.496 -4.429 1.00 0.00 C ATOM 1021 O GLU A 66 4.995 3.964 -3.799 1.00 0.00 O ATOM 1022 CB GLU A 66 7.289 1.393 -4.040 1.00 0.00 C ATOM 1023 CG GLU A 66 8.446 1.065 -4.991 1.00 0.00 C ATOM 1024 CD GLU A 66 7.853 0.452 -6.245 1.00 0.00 C ATOM 1025 OE1 GLU A 66 7.360 1.251 -7.064 1.00 0.00 O ATOM 1026 OE2 GLU A 66 7.712 -0.795 -6.269 1.00 0.00 O ATOM 0 H GLU A 66 5.999 2.909 -1.922 1.00 0.00 H new ATOM 0 HA GLU A 66 8.024 3.457 -3.973 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.421 0.822 -3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.358 1.054 -4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.008 1.967 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.144 0.373 -4.520 1.00 0.00 H new ATOM 1033 N PHE A 67 5.957 3.459 -5.770 1.00 0.00 N ATOM 1034 CA PHE A 67 4.760 3.576 -6.597 1.00 0.00 C ATOM 1035 C PHE A 67 5.060 2.990 -7.973 1.00 0.00 C ATOM 1036 O PHE A 67 5.872 3.526 -8.730 1.00 0.00 O ATOM 1037 CB PHE A 67 4.208 5.013 -6.718 1.00 0.00 C ATOM 1038 CG PHE A 67 4.741 5.964 -7.782 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.111 6.263 -7.883 1.00 0.00 C ATOM 1040 CD2 PHE A 67 3.846 6.527 -8.713 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.581 7.082 -8.928 1.00 0.00 C ATOM 1042 CE2 PHE A 67 4.307 7.381 -9.728 1.00 0.00 C ATOM 1043 CZ PHE A 67 5.680 7.652 -9.843 1.00 0.00 C ATOM 0 H PHE A 67 6.813 3.345 -6.313 1.00 0.00 H new ATOM 0 HA PHE A 67 3.968 3.016 -6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.132 4.931 -6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.357 5.496 -5.752 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.805 5.864 -7.158 1.00 0.00 H new ATOM 0 HD2 PHE A 67 2.793 6.299 -8.645 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.639 7.273 -9.026 1.00 0.00 H new ATOM 0 HE2 PHE A 67 3.607 7.828 -10.418 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.042 8.296 -10.631 1.00 0.00 H new ATOM 1053 N ILE A 68 4.383 1.905 -8.341 1.00 0.00 N ATOM 1054 CA ILE A 68 4.520 1.393 -9.692 1.00 0.00 C ATOM 1055 C ILE A 68 3.540 2.157 -10.584 1.00 0.00 C ATOM 1056 O ILE A 68 2.545 1.620 -11.066 1.00 0.00 O ATOM 1057 CB ILE A 68 4.405 -0.138 -9.720 1.00 0.00 C ATOM 1058 CG1 ILE A 68 5.508 -0.802 -8.851 1.00 0.00 C ATOM 1059 CG2 ILE A 68 4.475 -0.654 -11.165 1.00 0.00 C ATOM 1060 CD1 ILE A 68 6.920 -0.779 -9.462 1.00 0.00 C ATOM 0 H ILE A 68 3.751 1.379 -7.737 1.00 0.00 H new ATOM 0 HA ILE A 68 5.516 1.571 -10.097 1.00 0.00 H new ATOM 0 HB ILE A 68 3.438 -0.410 -9.297 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.539 -0.300 -7.884 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.227 -1.838 -8.663 1.00 0.00 H new ATOM 0 HG21 ILE A 68 4.392 -1.741 -11.168 1.00 0.00 H new ATOM 0 HG22 ILE A 68 3.657 -0.226 -11.744 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.426 -0.362 -11.610 1.00 0.00 H new ATOM 0 HD11 ILE A 68 7.619 -1.265 -8.782 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.913 -1.309 -10.415 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.230 0.254 -9.623 1.00 0.00 H new ATOM 1072 N GLY A 69 3.868 3.409 -10.893 1.00 0.00 N ATOM 1073 CA GLY A 69 3.274 4.065 -12.040 1.00 0.00 C ATOM 1074 C GLY A 69 1.882 4.634 -11.771 1.00 0.00 C ATOM 1075 O GLY A 69 1.472 4.889 -10.641 1.00 0.00 O ATOM 0 H GLY A 69 4.533 3.978 -10.369 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.930 4.872 -12.365 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.213 3.353 -12.863 1.00 0.00 H new ATOM 1079 N ALA A 70 1.158 4.862 -12.870 1.00 0.00 N ATOM 1080 CA ALA A 70 -0.233 5.291 -12.873 1.00 0.00 C ATOM 1081 C ALA A 70 -1.258 4.320 -12.242 1.00 0.00 C ATOM 1082 O ALA A 70 -2.325 4.827 -11.890 1.00 0.00 O ATOM 1083 CB ALA A 70 -0.647 5.612 -14.315 1.00 0.00 C ATOM 0 H ALA A 70 1.541 4.748 -13.809 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.261 6.166 -12.223 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.688 5.935 -14.331 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.014 6.408 -14.707 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.534 4.721 -14.933 1.00 0.00 H new ATOM 1089 N PRO A 71 -1.070 2.983 -12.132 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.972 2.120 -11.357 1.00 0.00 C ATOM 1091 C PRO A 71 -1.737 2.344 -9.846 1.00 0.00 C ATOM 1092 O PRO A 71 -1.835 3.484 -9.400 1.00 0.00 O ATOM 1093 CB PRO A 71 -1.723 0.704 -11.897 1.00 0.00 C ATOM 1094 CG PRO A 71 -0.254 0.743 -12.285 1.00 0.00 C ATOM 1095 CD PRO A 71 -0.112 2.148 -12.854 1.00 0.00 C ATOM 0 HA PRO A 71 -3.034 2.337 -11.470 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.922 -0.057 -11.142 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.361 0.479 -12.752 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.399 0.583 -11.427 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.006 -0.022 -13.021 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.904 2.520 -12.722 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.318 2.157 -13.924 1.00 0.00 H new ATOM 1103 N THR A 72 -1.505 1.318 -9.024 1.00 0.00 N ATOM 1104 CA THR A 72 -1.020 1.470 -7.664 1.00 0.00 C ATOM 1105 C THR A 72 0.373 0.815 -7.589 1.00 0.00 C ATOM 1106 O THR A 72 1.289 1.286 -8.253 1.00 0.00 O ATOM 1107 CB THR A 72 -2.084 0.905 -6.716 1.00 0.00 C ATOM 1108 OG1 THR A 72 -2.394 -0.451 -6.968 1.00 0.00 O ATOM 1109 CG2 THR A 72 -3.378 1.727 -6.726 1.00 0.00 C ATOM 0 H THR A 72 -1.653 0.346 -9.296 1.00 0.00 H new ATOM 0 HA THR A 72 -0.877 2.505 -7.353 1.00 0.00 H new ATOM 0 HB THR A 72 -1.630 0.972 -5.728 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.820 -0.531 -7.847 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.097 1.283 -6.037 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.162 2.749 -6.415 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.797 1.734 -7.732 1.00 0.00 H new ATOM 1117 N LYS A 73 0.581 -0.275 -6.831 1.00 0.00 N ATOM 1118 CA LYS A 73 1.890 -0.958 -6.801 1.00 0.00 C ATOM 1119 C LYS A 73 1.967 -2.069 -7.859 1.00 0.00 C ATOM 1120 O LYS A 73 2.932 -2.816 -7.933 1.00 0.00 O ATOM 1121 CB LYS A 73 2.090 -1.455 -5.366 1.00 0.00 C ATOM 1122 CG LYS A 73 3.437 -2.081 -5.003 1.00 0.00 C ATOM 1123 CD LYS A 73 4.603 -1.081 -4.971 1.00 0.00 C ATOM 1124 CE LYS A 73 5.449 -1.240 -3.697 1.00 0.00 C ATOM 1125 NZ LYS A 73 6.789 -1.818 -3.941 1.00 0.00 N ATOM 0 H LYS A 73 -0.130 -0.700 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 73 2.704 -0.283 -7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.922 -0.613 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.313 -2.190 -5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.353 -2.557 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.666 -2.867 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.233 -1.228 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.213 -0.065 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.564 -0.265 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.912 -1.875 -2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.502 -1.276 -3.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.803 -2.809 -3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.005 -1.776 -4.957 1.00 0.00 H new ATOM 1139 N GLU A 74 0.937 -2.177 -8.684 1.00 0.00 N ATOM 1140 CA GLU A 74 0.544 -3.346 -9.455 1.00 0.00 C ATOM 1141 C GLU A 74 1.641 -4.234 -10.072 1.00 0.00 C ATOM 1142 O GLU A 74 1.601 -5.430 -9.793 1.00 0.00 O ATOM 1143 CB GLU A 74 -0.735 -3.032 -10.254 1.00 0.00 C ATOM 1144 CG GLU A 74 -1.890 -3.045 -9.217 1.00 0.00 C ATOM 1145 CD GLU A 74 -3.178 -2.326 -9.601 1.00 0.00 C ATOM 1146 OE1 GLU A 74 -3.213 -1.089 -9.383 1.00 0.00 O ATOM 1147 OE2 GLU A 74 -4.141 -3.027 -9.992 1.00 0.00 O ATOM 0 H GLU A 74 0.307 -1.391 -8.844 1.00 0.00 H new ATOM 0 HA GLU A 74 0.268 -4.129 -8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.661 -2.062 -10.746 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.901 -3.774 -11.035 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.136 -4.084 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.519 -2.603 -8.292 1.00 0.00 H new ATOM 1154 N ALA A 75 2.665 -3.749 -10.789 1.00 0.00 N ATOM 1155 CA ALA A 75 3.678 -4.689 -11.315 1.00 0.00 C ATOM 1156 C ALA A 75 4.456 -5.420 -10.204 1.00 0.00 C ATOM 1157 O ALA A 75 4.820 -6.579 -10.369 1.00 0.00 O ATOM 1158 CB ALA A 75 4.677 -4.013 -12.258 1.00 0.00 C ATOM 0 H ALA A 75 2.816 -2.765 -11.012 1.00 0.00 H new ATOM 0 HA ALA A 75 3.102 -5.424 -11.877 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.397 -4.750 -12.614 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.144 -3.587 -13.108 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.202 -3.221 -11.725 1.00 0.00 H new ATOM 1164 N LEU A 76 4.719 -4.747 -9.082 1.00 0.00 N ATOM 1165 CA LEU A 76 5.357 -5.326 -7.900 1.00 0.00 C ATOM 1166 C LEU A 76 4.287 -5.967 -7.009 1.00 0.00 C ATOM 1167 O LEU A 76 4.587 -6.899 -6.272 1.00 0.00 O ATOM 1168 CB LEU A 76 6.161 -4.201 -7.209 1.00 0.00 C ATOM 1169 CG LEU A 76 7.180 -4.551 -6.105 1.00 0.00 C ATOM 1170 CD1 LEU A 76 6.555 -4.969 -4.769 1.00 0.00 C ATOM 1171 CD2 LEU A 76 8.203 -5.598 -6.556 1.00 0.00 C ATOM 0 H LEU A 76 4.488 -3.760 -8.968 1.00 0.00 H new ATOM 0 HA LEU A 76 6.054 -6.126 -8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.699 -3.661 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.441 -3.505 -6.778 1.00 0.00 H new ATOM 0 HG LEU A 76 7.697 -3.609 -5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.345 -5.196 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.940 -4.155 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.935 -5.853 -4.918 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.895 -5.806 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.685 -6.516 -6.836 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.758 -5.219 -7.414 1.00 0.00 H new ATOM 1183 N VAL A 77 3.018 -5.563 -7.101 1.00 0.00 N ATOM 1184 CA VAL A 77 1.926 -6.235 -6.400 1.00 0.00 C ATOM 1185 C VAL A 77 1.786 -7.686 -6.897 1.00 0.00 C ATOM 1186 O VAL A 77 1.533 -8.587 -6.095 1.00 0.00 O ATOM 1187 CB VAL A 77 0.635 -5.387 -6.465 1.00 0.00 C ATOM 1188 CG1 VAL A 77 -0.491 -6.002 -7.300 1.00 0.00 C ATOM 1189 CG2 VAL A 77 0.079 -5.052 -5.082 1.00 0.00 C ATOM 0 H VAL A 77 2.721 -4.764 -7.661 1.00 0.00 H new ATOM 0 HA VAL A 77 2.151 -6.318 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 77 0.964 -4.476 -6.966 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.356 -5.339 -7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.151 -6.137 -8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.769 -6.968 -6.880 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.827 -4.456 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.154 -5.975 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.821 -4.487 -4.519 1.00 0.00 H new ATOM 1199 N GLU A 78 2.051 -7.945 -8.186 1.00 0.00 N ATOM 1200 CA GLU A 78 2.124 -9.305 -8.715 1.00 0.00 C ATOM 1201 C GLU A 78 3.173 -10.150 -7.963 1.00 0.00 C ATOM 1202 O GLU A 78 3.067 -11.376 -7.945 1.00 0.00 O ATOM 1203 CB GLU A 78 2.464 -9.280 -10.218 1.00 0.00 C ATOM 1204 CG GLU A 78 1.421 -8.641 -11.151 1.00 0.00 C ATOM 1205 CD GLU A 78 0.068 -9.347 -11.097 1.00 0.00 C ATOM 1206 OE1 GLU A 78 -0.048 -10.496 -11.578 1.00 0.00 O ATOM 1207 OE2 GLU A 78 -0.883 -8.818 -10.472 1.00 0.00 O ATOM 0 H GLU A 78 2.219 -7.219 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 78 1.146 -9.764 -8.570 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.406 -8.747 -10.345 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.631 -10.306 -10.546 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.290 -7.594 -10.879 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.795 -8.660 -12.175 1.00 0.00 H new ATOM 1214 N ALA A 79 4.159 -9.513 -7.317 1.00 0.00 N ATOM 1215 CA ALA A 79 5.151 -10.156 -6.470 1.00 0.00 C ATOM 1216 C ALA A 79 4.629 -10.283 -5.035 1.00 0.00 C ATOM 1217 O ALA A 79 4.718 -11.377 -4.474 1.00 0.00 O ATOM 1218 CB ALA A 79 6.478 -9.382 -6.528 1.00 0.00 C ATOM 0 H ALA A 79 4.285 -8.503 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 79 5.338 -11.164 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.213 -9.872 -5.890 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.843 -9.363 -7.555 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.319 -8.361 -6.180 1.00 0.00 H new ATOM 1224 N ILE A 80 4.078 -9.218 -4.426 1.00 0.00 N ATOM 1225 CA ILE A 80 3.614 -9.268 -3.037 1.00 0.00 C ATOM 1226 C ILE A 80 2.581 -10.373 -2.831 1.00 0.00 C ATOM 1227 O ILE A 80 2.558 -11.011 -1.779 1.00 0.00 O ATOM 1228 CB ILE A 80 3.115 -7.900 -2.510 1.00 0.00 C ATOM 1229 CG1 ILE A 80 1.631 -7.570 -2.818 1.00 0.00 C ATOM 1230 CG2 ILE A 80 4.049 -6.753 -2.928 1.00 0.00 C ATOM 1231 CD1 ILE A 80 1.177 -6.270 -2.140 1.00 0.00 C ATOM 0 H ILE A 80 3.945 -8.314 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 80 4.487 -9.516 -2.432 1.00 0.00 H new ATOM 0 HB ILE A 80 3.151 -8.001 -1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 80 1.495 -7.483 -3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.000 -8.393 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.664 -5.810 -2.539 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.046 -6.931 -2.526 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.099 -6.703 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.132 -6.079 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.286 -6.366 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.790 -5.441 -2.495 1.00 0.00 H new ATOM 1243 N LYS A 81 1.732 -10.621 -3.830 1.00 0.00 N ATOM 1244 CA LYS A 81 0.668 -11.602 -3.689 1.00 0.00 C ATOM 1245 C LYS A 81 1.204 -13.023 -3.565 1.00 0.00 C ATOM 1246 O LYS A 81 0.608 -13.818 -2.847 1.00 0.00 O ATOM 1247 CB LYS A 81 -0.341 -11.416 -4.820 1.00 0.00 C ATOM 1248 CG LYS A 81 0.070 -11.945 -6.195 1.00 0.00 C ATOM 1249 CD LYS A 81 -0.836 -11.285 -7.238 1.00 0.00 C ATOM 1250 CE LYS A 81 -0.670 -11.921 -8.613 1.00 0.00 C ATOM 1251 NZ LYS A 81 -1.591 -11.299 -9.582 1.00 0.00 N ATOM 0 H LYS A 81 1.764 -10.157 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 81 0.143 -11.433 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -1.272 -11.904 -4.531 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.556 -10.351 -4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.116 -11.714 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.030 -13.030 -6.233 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.876 -11.368 -6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -0.606 -10.221 -7.299 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.359 -11.804 -8.953 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -0.865 -12.992 -8.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.209 -11.407 -10.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.520 -11.763 -9.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.695 -10.288 -9.362 1.00 0.00 H new ATOM 1265 N LYS A 82 2.332 -13.352 -4.216 1.00 0.00 N ATOM 1266 CA LYS A 82 2.987 -14.635 -3.965 1.00 0.00 C ATOM 1267 C LYS A 82 3.803 -14.529 -2.679 1.00 0.00 C ATOM 1268 O LYS A 82 3.707 -15.418 -1.838 1.00 0.00 O ATOM 1269 CB LYS A 82 3.733 -15.183 -5.207 1.00 0.00 C ATOM 1270 CG LYS A 82 5.170 -14.697 -5.483 1.00 0.00 C ATOM 1271 CD LYS A 82 6.246 -15.464 -4.693 1.00 0.00 C ATOM 1272 CE LYS A 82 6.687 -16.750 -5.402 1.00 0.00 C ATOM 1273 NZ LYS A 82 7.318 -17.700 -4.463 1.00 0.00 N ATOM 0 H LYS A 82 2.797 -12.759 -4.904 1.00 0.00 H new ATOM 0 HA LYS A 82 2.242 -15.412 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.762 -16.269 -5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.131 -14.948 -6.084 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.378 -14.792 -6.549 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.239 -13.637 -5.238 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.112 -14.819 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.859 -15.712 -3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.824 -17.221 -5.872 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.389 -16.504 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.604 -18.558 -4.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.156 -17.259 -4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.639 -17.953 -3.717 1.00 0.00 H new ATOM 1287 N ARG A 83 4.642 -13.500 -2.528 1.00 0.00 N ATOM 1288 CA ARG A 83 5.376 -13.218 -1.297 1.00 0.00 C ATOM 1289 C ARG A 83 5.861 -11.768 -1.276 1.00 0.00 C ATOM 1290 O ARG A 83 5.323 -10.969 -0.515 1.00 0.00 O ATOM 1291 CB ARG A 83 6.600 -14.141 -1.103 1.00 0.00 C ATOM 1292 CG ARG A 83 6.422 -15.371 -0.193 1.00 0.00 C ATOM 1293 CD ARG A 83 7.761 -15.820 0.433 1.00 0.00 C ATOM 1294 NE ARG A 83 8.216 -14.907 1.508 1.00 0.00 N ATOM 1295 CZ ARG A 83 8.965 -13.800 1.370 1.00 0.00 C ATOM 1296 NH1 ARG A 83 9.639 -13.583 0.246 1.00 0.00 N ATOM 1297 NH2 ARG A 83 9.025 -12.888 2.331 1.00 0.00 N ATOM 0 H ARG A 83 4.832 -12.829 -3.273 1.00 0.00 H new ATOM 0 HA ARG A 83 4.674 -13.401 -0.483 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.917 -14.492 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.415 -13.540 -0.701 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.711 -15.137 0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.997 -16.192 -0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.651 -16.826 0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.524 -15.870 -0.344 1.00 0.00 H new ATOM 0 HE ARG A 83 7.929 -15.145 2.457 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.589 -14.258 -0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.206 -12.741 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.497 -13.020 3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.599 -12.054 2.208 1.00 0.00 H new