USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=14 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= 0.168 K(o=0.17,f=-0.72) USER MOD Single : A 11 HIS : no HD1:sc= -0.802 X(o=-0.8,f=-0.66) USER MOD Single : A 21 GLN : amide:sc= 0.406 K(o=0.41,f=-0.6) USER MOD Single : A 24 ASN : amide:sc= -0.704 K(o=-0.7,f=-4.9!) USER MOD Single : A 26 HIS : no HD1:sc= -0.319 X(o=-0.32,f=0.024) USER MOD Single : A 29 TYR OH : rot -153:sc= 0.259 USER MOD Single : A 33 GLN : amide:sc= -1.28 K(o=-1.3,f=-1.8!) USER MOD Single : A 34 ASN : amide:sc= -4.24! K(o=-4.2!,f=-1.1) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -1.16 K(o=-1.1,f=-3.1) USER MOD Single : A 45 MET CE :methyl 170:sc= -0.343 (180deg=-0.653) USER MOD Single : A 52 LYS NZ :NH3+ -145:sc= -1.05 (180deg=-3.11!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0101 USER MOD Single : A 67 ASN : amide:sc= 0.431 X(o=0.43,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0023 USER MOD Single : A 73 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 77 GLN : amide:sc= -0.061 X(o=-0.061,f=-0.55) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0525) USER MOD Single : A 79 HIS : no HD1:sc= -0.657 X(o=-0.66,f=-0.54) USER MOD Single : A 95 TYR OH : rot -45:sc= 0.0864 USER MOD Single : A 98 MET CE :methyl 142:sc= -1.22 (180deg=-1.68) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -4.871 10.135 -4.020 1.00 0.00 N ATOM 63 CA PHE A 5 -3.795 9.768 -3.094 1.00 0.00 C ATOM 64 C PHE A 5 -3.520 10.929 -2.116 1.00 0.00 C ATOM 65 O PHE A 5 -3.633 12.109 -2.478 1.00 0.00 O ATOM 66 CB PHE A 5 -2.507 9.389 -3.870 1.00 0.00 C ATOM 67 CG PHE A 5 -1.362 8.938 -2.961 1.00 0.00 C ATOM 68 CD1 PHE A 5 -1.510 7.818 -2.145 1.00 0.00 C ATOM 69 CD2 PHE A 5 -0.161 9.632 -2.906 1.00 0.00 C ATOM 70 CE1 PHE A 5 -0.501 7.413 -1.301 1.00 0.00 C ATOM 71 CE2 PHE A 5 0.851 9.222 -2.066 1.00 0.00 C ATOM 72 CZ PHE A 5 0.682 8.114 -1.266 1.00 0.00 C ATOM 0 HA PHE A 5 -4.111 8.896 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.738 8.590 -4.575 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.179 10.247 -4.457 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.433 7.258 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.018 10.503 -3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.638 6.548 -0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.780 9.772 -2.035 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.479 7.795 -0.611 1.00 0.00 H new ATOM 82 N GLU A 6 -3.146 10.557 -0.888 1.00 0.00 N ATOM 83 CA GLU A 6 -2.776 11.477 0.196 1.00 0.00 C ATOM 84 C GLU A 6 -1.621 10.833 1.008 1.00 0.00 C ATOM 85 O GLU A 6 -1.490 9.600 0.999 1.00 0.00 O ATOM 86 CB GLU A 6 -4.019 11.746 1.096 1.00 0.00 C ATOM 87 CG GLU A 6 -4.583 10.482 1.775 1.00 0.00 C ATOM 88 CD GLU A 6 -5.849 10.726 2.598 1.00 0.00 C ATOM 89 OE1 GLU A 6 -5.737 11.175 3.757 1.00 0.00 O ATOM 90 OE2 GLU A 6 -6.962 10.448 2.098 1.00 0.00 O ATOM 0 H GLU A 6 -3.090 9.577 -0.611 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.440 12.434 -0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.749 12.470 1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.802 12.202 0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.799 9.737 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.817 10.059 2.424 1.00 0.00 H new ATOM 97 N PRO A 7 -0.740 11.637 1.687 1.00 0.00 N ATOM 98 CA PRO A 7 0.330 11.081 2.554 1.00 0.00 C ATOM 99 C PRO A 7 -0.251 10.241 3.719 1.00 0.00 C ATOM 100 O PRO A 7 -0.690 10.784 4.741 1.00 0.00 O ATOM 101 CB PRO A 7 1.101 12.339 3.047 1.00 0.00 C ATOM 102 CG PRO A 7 0.142 13.479 2.851 1.00 0.00 C ATOM 103 CD PRO A 7 -0.670 13.123 1.627 1.00 0.00 C ATOM 0 HA PRO A 7 0.982 10.384 2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.390 12.241 4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.017 12.490 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.499 13.606 3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.675 14.419 2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.662 13.575 1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -0.190 13.467 0.711 1.00 0.00 H new ATOM 111 N GLY A 8 -0.287 8.910 3.515 1.00 0.00 N ATOM 112 CA GLY A 8 -0.766 7.948 4.516 1.00 0.00 C ATOM 113 C GLY A 8 -1.775 6.943 3.958 1.00 0.00 C ATOM 114 O GLY A 8 -1.888 5.819 4.473 1.00 0.00 O ATOM 0 H GLY A 8 0.018 8.474 2.645 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.087 7.406 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.225 8.492 5.342 1.00 0.00 H new ATOM 118 N HIS A 9 -2.487 7.333 2.884 1.00 0.00 N ATOM 119 CA HIS A 9 -3.646 6.572 2.359 1.00 0.00 C ATOM 120 C HIS A 9 -3.822 6.798 0.838 1.00 0.00 C ATOM 121 O HIS A 9 -3.551 7.878 0.327 1.00 0.00 O ATOM 122 CB HIS A 9 -4.931 6.992 3.138 1.00 0.00 C ATOM 123 CG HIS A 9 -6.235 6.516 2.546 1.00 0.00 C ATOM 124 ND1 HIS A 9 -7.067 7.344 1.824 1.00 0.00 N ATOM 125 CD2 HIS A 9 -6.836 5.299 2.555 1.00 0.00 C ATOM 126 CE1 HIS A 9 -8.115 6.666 1.416 1.00 0.00 C ATOM 127 NE2 HIS A 9 -8.005 5.420 1.845 1.00 0.00 N ATOM 0 H HIS A 9 -2.280 8.180 2.355 1.00 0.00 H new ATOM 0 HA HIS A 9 -3.468 5.507 2.507 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.856 6.615 4.158 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.957 8.080 3.202 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -6.895 8.332 1.636 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -6.464 4.404 3.031 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.931 7.060 0.828 1.00 0.00 H new ATOM 136 N LEU A 10 -4.305 5.761 0.137 1.00 0.00 N ATOM 137 CA LEU A 10 -4.680 5.802 -1.279 1.00 0.00 C ATOM 138 C LEU A 10 -6.118 5.276 -1.401 1.00 0.00 C ATOM 139 O LEU A 10 -6.476 4.268 -0.773 1.00 0.00 O ATOM 140 CB LEU A 10 -3.712 4.929 -2.134 1.00 0.00 C ATOM 141 CG LEU A 10 -4.083 4.745 -3.651 1.00 0.00 C ATOM 142 CD1 LEU A 10 -4.218 6.103 -4.383 1.00 0.00 C ATOM 143 CD2 LEU A 10 -3.055 3.838 -4.369 1.00 0.00 C ATOM 0 H LEU A 10 -4.449 4.842 0.556 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.615 6.825 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.717 5.370 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.650 3.942 -1.676 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.057 4.256 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.475 5.929 -5.428 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.002 6.695 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.272 6.642 -4.327 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.336 3.728 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.065 4.289 -4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.039 2.858 -3.893 1.00 0.00 H new ATOM 155 N HIS A 11 -6.939 5.985 -2.178 1.00 0.00 N ATOM 156 CA HIS A 11 -8.307 5.571 -2.504 1.00 0.00 C ATOM 157 C HIS A 11 -8.276 4.888 -3.878 1.00 0.00 C ATOM 158 O HIS A 11 -7.565 5.345 -4.776 1.00 0.00 O ATOM 159 CB HIS A 11 -9.239 6.824 -2.510 1.00 0.00 C ATOM 160 CG HIS A 11 -10.732 6.548 -2.476 1.00 0.00 C ATOM 161 ND1 HIS A 11 -11.626 7.372 -1.826 1.00 0.00 N ATOM 162 CD2 HIS A 11 -11.484 5.561 -3.022 1.00 0.00 C ATOM 163 CE1 HIS A 11 -12.846 6.902 -1.969 1.00 0.00 C ATOM 164 NE2 HIS A 11 -12.790 5.811 -2.696 1.00 0.00 N ATOM 0 H HIS A 11 -6.671 6.872 -2.604 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.697 4.872 -1.764 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -8.985 7.444 -1.650 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.019 7.411 -3.402 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -11.120 4.730 -3.607 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -13.743 7.340 -1.557 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -13.590 5.242 -2.973 1.00 0.00 H new ATOM 173 N LEU A 12 -9.018 3.782 -4.023 1.00 0.00 N ATOM 174 CA LEU A 12 -9.168 3.074 -5.302 1.00 0.00 C ATOM 175 C LEU A 12 -10.656 2.947 -5.645 1.00 0.00 C ATOM 176 O LEU A 12 -11.398 2.276 -4.941 1.00 0.00 O ATOM 177 CB LEU A 12 -8.526 1.661 -5.253 1.00 0.00 C ATOM 178 CG LEU A 12 -6.977 1.592 -5.062 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.484 0.122 -5.041 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.238 2.411 -6.153 1.00 0.00 C ATOM 0 H LEU A 12 -9.533 3.352 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.653 3.652 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.993 1.105 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.777 1.143 -6.179 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.742 2.039 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.402 0.103 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.961 -0.410 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.741 -0.362 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.162 2.343 -5.993 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.484 2.012 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.548 3.454 -6.097 1.00 0.00 H new ATOM 192 N VAL A 13 -11.081 3.672 -6.675 1.00 0.00 N ATOM 193 CA VAL A 13 -12.327 3.412 -7.428 1.00 0.00 C ATOM 194 C VAL A 13 -11.954 3.456 -8.905 1.00 0.00 C ATOM 195 O VAL A 13 -10.837 3.899 -9.246 1.00 0.00 O ATOM 196 CB VAL A 13 -13.481 4.454 -7.139 1.00 0.00 C ATOM 197 CG1 VAL A 13 -13.912 4.428 -5.658 1.00 0.00 C ATOM 198 CG2 VAL A 13 -13.079 5.882 -7.581 1.00 0.00 C ATOM 0 H VAL A 13 -10.564 4.478 -7.026 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.727 2.446 -7.118 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.343 4.155 -7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.706 5.157 -5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.276 3.433 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.059 4.676 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.895 6.572 -7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.188 6.194 -7.036 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.870 5.887 -8.651 1.00 0.00 H new ATOM 307 N GLN A 21 -16.798 -1.657 -13.673 1.00 0.00 N ATOM 308 CA GLN A 21 -16.881 -2.704 -12.642 1.00 0.00 C ATOM 309 C GLN A 21 -16.814 -2.014 -11.276 1.00 0.00 C ATOM 310 O GLN A 21 -16.003 -1.089 -11.087 1.00 0.00 O ATOM 311 CB GLN A 21 -15.731 -3.735 -12.771 1.00 0.00 C ATOM 312 CG GLN A 21 -15.732 -4.855 -11.695 1.00 0.00 C ATOM 313 CD GLN A 21 -14.510 -5.781 -11.753 1.00 0.00 C ATOM 314 OE1 GLN A 21 -13.420 -5.376 -12.160 1.00 0.00 O ATOM 315 NE2 GLN A 21 -14.673 -7.022 -11.332 1.00 0.00 N ATOM 0 HA GLN A 21 -17.814 -3.254 -12.762 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -15.787 -4.198 -13.756 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -14.780 -3.205 -12.721 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -15.780 -4.395 -10.708 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.635 -5.455 -11.811 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -15.586 -7.332 -11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.886 -7.670 -11.339 1.00 0.00 H new ATOM 324 N ASP A 22 -17.649 -2.475 -10.338 1.00 0.00 N ATOM 325 CA ASP A 22 -17.783 -1.866 -9.009 1.00 0.00 C ATOM 326 C ASP A 22 -16.589 -2.287 -8.136 1.00 0.00 C ATOM 327 O ASP A 22 -16.653 -3.279 -7.390 1.00 0.00 O ATOM 328 CB ASP A 22 -19.142 -2.280 -8.360 1.00 0.00 C ATOM 329 CG ASP A 22 -19.578 -1.431 -7.136 1.00 0.00 C ATOM 330 OD1 ASP A 22 -18.719 -0.852 -6.429 1.00 0.00 O ATOM 331 OD2 ASP A 22 -20.800 -1.349 -6.867 1.00 0.00 O ATOM 0 H ASP A 22 -18.253 -3.284 -10.480 1.00 0.00 H new ATOM 0 HA ASP A 22 -17.780 -0.780 -9.098 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -19.922 -2.220 -9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.076 -3.324 -8.053 1.00 0.00 H new ATOM 336 N ILE A 23 -15.470 -1.562 -8.308 1.00 0.00 N ATOM 337 CA ILE A 23 -14.264 -1.744 -7.496 1.00 0.00 C ATOM 338 C ILE A 23 -14.083 -0.520 -6.591 1.00 0.00 C ATOM 339 O ILE A 23 -14.138 0.632 -7.047 1.00 0.00 O ATOM 340 CB ILE A 23 -12.978 -2.052 -8.375 1.00 0.00 C ATOM 341 CG1 ILE A 23 -12.443 -0.813 -9.202 1.00 0.00 C ATOM 342 CG2 ILE A 23 -13.266 -3.250 -9.309 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.208 -0.133 -8.610 1.00 0.00 C ATOM 0 H ILE A 23 -15.381 -0.833 -9.016 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.391 -2.627 -6.869 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.177 -2.298 -7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.209 -1.143 -10.214 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.242 -0.076 -9.284 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.383 -3.461 -9.912 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -13.515 -4.126 -8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.103 -3.008 -9.964 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.914 0.704 -9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.439 0.233 -7.610 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.389 -0.850 -8.554 1.00 0.00 H new ATOM 355 N ASN A 24 -13.949 -0.792 -5.299 1.00 0.00 N ATOM 356 CA ASN A 24 -13.726 0.220 -4.266 1.00 0.00 C ATOM 357 C ASN A 24 -12.851 -0.412 -3.185 1.00 0.00 C ATOM 358 O ASN A 24 -13.233 -1.420 -2.588 1.00 0.00 O ATOM 359 CB ASN A 24 -15.069 0.772 -3.709 1.00 0.00 C ATOM 360 CG ASN A 24 -16.028 -0.312 -3.212 1.00 0.00 C ATOM 361 OD1 ASN A 24 -16.010 -0.684 -2.041 1.00 0.00 O ATOM 362 ND2 ASN A 24 -16.870 -0.823 -4.096 1.00 0.00 N ATOM 0 H ASN A 24 -13.993 -1.742 -4.929 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.214 1.088 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.856 1.458 -2.889 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.564 1.351 -4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.530 -1.548 -3.812 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.859 -0.492 -5.061 1.00 0.00 H new ATOM 369 N ILE A 25 -11.646 0.154 -2.991 1.00 0.00 N ATOM 370 CA ILE A 25 -10.568 -0.444 -2.185 1.00 0.00 C ATOM 371 C ILE A 25 -9.806 0.693 -1.471 1.00 0.00 C ATOM 372 O ILE A 25 -9.672 1.797 -2.014 1.00 0.00 O ATOM 373 CB ILE A 25 -9.541 -1.281 -3.064 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.269 -2.306 -3.994 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.488 -2.007 -2.175 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.380 -3.016 -4.995 1.00 0.00 C ATOM 0 H ILE A 25 -11.391 1.054 -3.397 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.023 -1.132 -1.473 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.018 -0.566 -3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.757 -3.055 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.056 -1.783 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.802 -2.569 -2.809 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.928 -1.270 -1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.996 -2.690 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.980 -3.704 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.912 -2.282 -5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.608 -3.574 -4.465 1.00 0.00 H new ATOM 388 N HIS A 26 -9.329 0.416 -0.257 1.00 0.00 N ATOM 389 CA HIS A 26 -8.517 1.338 0.543 1.00 0.00 C ATOM 390 C HIS A 26 -7.083 0.795 0.571 1.00 0.00 C ATOM 391 O HIS A 26 -6.898 -0.423 0.560 1.00 0.00 O ATOM 392 CB HIS A 26 -9.055 1.416 2.003 1.00 0.00 C ATOM 393 CG HIS A 26 -10.521 1.768 2.156 1.00 0.00 C ATOM 394 ND1 HIS A 26 -10.968 2.842 2.898 1.00 0.00 N ATOM 395 CD2 HIS A 26 -11.639 1.152 1.705 1.00 0.00 C ATOM 396 CE1 HIS A 26 -12.284 2.864 2.891 1.00 0.00 C ATOM 397 NE2 HIS A 26 -12.715 1.850 2.176 1.00 0.00 N ATOM 0 H HIS A 26 -9.499 -0.475 0.209 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.555 2.335 0.105 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.881 0.454 2.484 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -8.466 2.155 2.546 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.674 0.268 1.085 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.905 3.593 3.390 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -13.693 1.621 2.001 1.00 0.00 H new ATOM 406 N ILE A 27 -6.077 1.681 0.587 1.00 0.00 N ATOM 407 CA ILE A 27 -4.668 1.296 0.815 1.00 0.00 C ATOM 408 C ILE A 27 -4.063 2.227 1.875 1.00 0.00 C ATOM 409 O ILE A 27 -3.871 3.411 1.630 1.00 0.00 O ATOM 410 CB ILE A 27 -3.790 1.346 -0.507 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.332 0.340 -1.584 1.00 0.00 C ATOM 412 CG2 ILE A 27 -2.282 1.075 -0.201 1.00 0.00 C ATOM 413 CD1 ILE A 27 -3.528 0.278 -2.874 1.00 0.00 C ATOM 0 H ILE A 27 -6.211 2.682 0.443 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.661 0.261 1.156 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.870 2.354 -0.915 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.361 -0.657 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.359 0.611 -1.827 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.710 1.117 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.909 1.831 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.174 0.088 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.983 -0.444 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.519 1.261 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.506 -0.027 -2.651 1.00 0.00 H new ATOM 425 N ARG A 28 -3.806 1.688 3.063 1.00 0.00 N ATOM 426 CA ARG A 28 -3.020 2.368 4.099 1.00 0.00 C ATOM 427 C ARG A 28 -1.593 1.830 4.038 1.00 0.00 C ATOM 428 O ARG A 28 -1.398 0.638 3.807 1.00 0.00 O ATOM 429 CB ARG A 28 -3.612 2.114 5.514 1.00 0.00 C ATOM 430 CG ARG A 28 -5.035 2.673 5.729 1.00 0.00 C ATOM 431 CD ARG A 28 -5.582 2.358 7.136 1.00 0.00 C ATOM 432 NE ARG A 28 -6.931 2.910 7.343 1.00 0.00 N ATOM 433 CZ ARG A 28 -7.630 2.861 8.491 1.00 0.00 C ATOM 434 NH1 ARG A 28 -7.099 2.346 9.596 1.00 0.00 N ATOM 435 NH2 ARG A 28 -8.857 3.358 8.525 1.00 0.00 N ATOM 0 H ARG A 28 -4.136 0.764 3.340 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.040 3.443 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.627 1.040 5.699 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.947 2.556 6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.025 3.753 5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.705 2.253 4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.607 1.278 7.281 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.905 2.765 7.887 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.374 3.369 6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.147 1.980 9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.644 2.317 10.458 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.263 3.773 7.686 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.396 3.326 9.390 1.00 0.00 H new ATOM 449 N TYR A 29 -0.605 2.701 4.202 1.00 0.00 N ATOM 450 CA TYR A 29 0.773 2.281 4.473 1.00 0.00 C ATOM 451 C TYR A 29 1.186 2.917 5.800 1.00 0.00 C ATOM 452 O TYR A 29 1.186 4.140 5.941 1.00 0.00 O ATOM 453 CB TYR A 29 1.734 2.641 3.296 1.00 0.00 C ATOM 454 CG TYR A 29 1.806 4.126 2.909 1.00 0.00 C ATOM 455 CD1 TYR A 29 0.821 4.710 2.114 1.00 0.00 C ATOM 456 CD2 TYR A 29 2.861 4.940 3.344 1.00 0.00 C ATOM 457 CE1 TYR A 29 0.881 6.042 1.773 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.917 6.275 3.007 1.00 0.00 C ATOM 459 CZ TYR A 29 1.929 6.820 2.220 1.00 0.00 C ATOM 460 OH TYR A 29 1.975 8.158 1.892 1.00 0.00 O ATOM 0 H TYR A 29 -0.730 3.712 4.152 1.00 0.00 H new ATOM 0 HA TYR A 29 0.836 1.196 4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.738 2.306 3.559 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.428 2.073 2.418 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.002 4.107 1.760 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.644 4.513 3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.109 6.478 1.156 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.732 6.890 3.359 1.00 0.00 H new ATOM 0 HH TYR A 29 2.907 8.462 1.887 1.00 0.00 H new ATOM 470 N GLU A 30 1.467 2.068 6.792 1.00 0.00 N ATOM 471 CA GLU A 30 1.788 2.500 8.157 1.00 0.00 C ATOM 472 C GLU A 30 3.145 1.914 8.532 1.00 0.00 C ATOM 473 O GLU A 30 3.279 0.698 8.688 1.00 0.00 O ATOM 474 CB GLU A 30 0.669 2.006 9.119 1.00 0.00 C ATOM 475 CG GLU A 30 -0.757 2.471 8.721 1.00 0.00 C ATOM 476 CD GLU A 30 -1.874 1.752 9.493 1.00 0.00 C ATOM 477 OE1 GLU A 30 -2.056 0.538 9.276 1.00 0.00 O ATOM 478 OE2 GLU A 30 -2.572 2.392 10.312 1.00 0.00 O ATOM 0 H GLU A 30 1.479 1.055 6.671 1.00 0.00 H new ATOM 0 HA GLU A 30 1.840 3.586 8.229 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.688 0.917 9.153 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.888 2.360 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.841 3.544 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.900 2.306 7.653 1.00 0.00 H new ATOM 485 N VAL A 31 4.142 2.785 8.673 1.00 0.00 N ATOM 486 CA VAL A 31 5.524 2.387 8.955 1.00 0.00 C ATOM 487 C VAL A 31 5.761 2.322 10.465 1.00 0.00 C ATOM 488 O VAL A 31 5.615 3.326 11.175 1.00 0.00 O ATOM 489 CB VAL A 31 6.542 3.371 8.274 1.00 0.00 C ATOM 490 CG1 VAL A 31 8.006 3.045 8.648 1.00 0.00 C ATOM 491 CG2 VAL A 31 6.352 3.350 6.741 1.00 0.00 C ATOM 0 H VAL A 31 4.015 3.794 8.595 1.00 0.00 H new ATOM 0 HA VAL A 31 5.687 1.394 8.536 1.00 0.00 H new ATOM 0 HB VAL A 31 6.334 4.374 8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.674 3.751 8.154 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.131 3.122 9.728 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.247 2.032 8.326 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.062 4.035 6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.524 2.341 6.367 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.336 3.659 6.496 1.00 0.00 H new ATOM 501 N ARG A 32 6.107 1.124 10.943 1.00 0.00 N ATOM 502 CA ARG A 32 6.478 0.885 12.338 1.00 0.00 C ATOM 503 C ARG A 32 7.953 0.469 12.372 1.00 0.00 C ATOM 504 O ARG A 32 8.471 -0.082 11.391 1.00 0.00 O ATOM 505 CB ARG A 32 5.597 -0.232 12.959 1.00 0.00 C ATOM 506 CG ARG A 32 5.796 -0.446 14.483 1.00 0.00 C ATOM 507 CD ARG A 32 5.347 -1.831 14.970 1.00 0.00 C ATOM 508 NE ARG A 32 5.371 -1.924 16.447 1.00 0.00 N ATOM 509 CZ ARG A 32 5.797 -2.977 17.163 1.00 0.00 C ATOM 510 NH1 ARG A 32 6.283 -4.059 16.569 1.00 0.00 N ATOM 511 NH2 ARG A 32 5.734 -2.942 18.487 1.00 0.00 N ATOM 0 H ARG A 32 6.137 0.284 10.365 1.00 0.00 H new ATOM 0 HA ARG A 32 6.323 1.793 12.921 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.550 0.006 12.773 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.807 -1.169 12.444 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.849 -0.308 14.727 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.240 0.319 15.025 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.339 -2.035 14.608 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.999 -2.595 14.546 1.00 0.00 H new ATOM 0 HE ARG A 32 5.033 -1.115 16.968 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.338 -4.101 15.551 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.602 -4.849 17.130 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.363 -2.117 18.958 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.057 -3.740 19.034 1.00 0.00 H new ATOM 525 N GLN A 33 8.621 0.732 13.492 1.00 0.00 N ATOM 526 CA GLN A 33 10.009 0.324 13.713 1.00 0.00 C ATOM 527 C GLN A 33 9.993 -0.760 14.805 1.00 0.00 C ATOM 528 O GLN A 33 9.636 -0.473 15.953 1.00 0.00 O ATOM 529 CB GLN A 33 10.865 1.547 14.175 1.00 0.00 C ATOM 530 CG GLN A 33 10.636 2.875 13.411 1.00 0.00 C ATOM 531 CD GLN A 33 11.071 2.849 11.947 1.00 0.00 C ATOM 532 OE1 GLN A 33 12.222 3.125 11.627 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.152 2.552 11.050 1.00 0.00 N ATOM 0 H GLN A 33 8.213 1.238 14.278 1.00 0.00 H new ATOM 0 HA GLN A 33 10.451 -0.060 12.794 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.667 1.723 15.232 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.918 1.280 14.088 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.577 3.128 13.457 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.176 3.671 13.923 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.203 2.327 11.348 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.390 2.548 10.058 1.00 0.00 H new ATOM 542 N ASN A 34 10.312 -2.006 14.441 1.00 0.00 N ATOM 543 CA ASN A 34 10.475 -3.110 15.411 1.00 0.00 C ATOM 544 C ASN A 34 11.980 -3.403 15.571 1.00 0.00 C ATOM 545 O ASN A 34 12.699 -3.440 14.584 1.00 0.00 O ATOM 546 CB ASN A 34 9.663 -4.366 14.963 1.00 0.00 C ATOM 547 CG ASN A 34 10.148 -5.016 13.664 1.00 0.00 C ATOM 548 OD1 ASN A 34 9.943 -4.504 12.572 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.735 -6.187 13.782 1.00 0.00 N ATOM 0 H ASN A 34 10.465 -2.284 13.472 1.00 0.00 H new ATOM 0 HA ASN A 34 10.074 -2.823 16.383 1.00 0.00 H new ATOM 0 HB2 ASN A 34 9.701 -5.109 15.760 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.618 -4.081 14.842 1.00 0.00 H new ATOM 0 HD21 ASN A 34 11.033 -6.694 12.949 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.892 -6.588 14.707 1.00 0.00 H new ATOM 556 N ALA A 35 12.449 -3.610 16.817 1.00 0.00 N ATOM 557 CA ALA A 35 13.892 -3.816 17.117 1.00 0.00 C ATOM 558 C ALA A 35 14.435 -5.141 16.518 1.00 0.00 C ATOM 559 O ALA A 35 15.649 -5.297 16.326 1.00 0.00 O ATOM 560 CB ALA A 35 14.117 -3.766 18.638 1.00 0.00 C ATOM 0 H ALA A 35 11.850 -3.640 17.642 1.00 0.00 H new ATOM 0 HA ALA A 35 14.451 -3.009 16.643 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.175 -3.917 18.855 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.804 -2.795 19.020 1.00 0.00 H new ATOM 0 HB3 ALA A 35 13.533 -4.551 19.118 1.00 0.00 H new ATOM 566 N GLU A 36 13.511 -6.065 16.218 1.00 0.00 N ATOM 567 CA GLU A 36 13.810 -7.400 15.669 1.00 0.00 C ATOM 568 C GLU A 36 14.341 -7.311 14.220 1.00 0.00 C ATOM 569 O GLU A 36 15.334 -7.967 13.883 1.00 0.00 O ATOM 570 CB GLU A 36 12.520 -8.276 15.795 1.00 0.00 C ATOM 571 CG GLU A 36 12.544 -9.711 15.200 1.00 0.00 C ATOM 572 CD GLU A 36 12.348 -9.782 13.670 1.00 0.00 C ATOM 573 OE1 GLU A 36 11.358 -9.214 13.169 1.00 0.00 O ATOM 574 OE2 GLU A 36 13.180 -10.387 12.960 1.00 0.00 O ATOM 0 H GLU A 36 12.513 -5.904 16.352 1.00 0.00 H new ATOM 0 HA GLU A 36 14.612 -7.873 16.237 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.277 -8.359 16.854 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.702 -7.733 15.322 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.496 -10.178 15.452 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.763 -10.301 15.680 1.00 0.00 H new ATOM 581 N SER A 37 13.679 -6.495 13.372 1.00 0.00 N ATOM 582 CA SER A 37 14.002 -6.403 11.924 1.00 0.00 C ATOM 583 C SER A 37 14.522 -5.003 11.558 1.00 0.00 C ATOM 584 O SER A 37 15.476 -4.870 10.789 1.00 0.00 O ATOM 585 CB SER A 37 12.744 -6.730 11.090 1.00 0.00 C ATOM 586 OG SER A 37 13.010 -6.750 9.698 1.00 0.00 O ATOM 0 H SER A 37 12.914 -5.886 13.663 1.00 0.00 H new ATOM 0 HA SER A 37 14.788 -7.125 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.350 -7.699 11.396 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.970 -5.991 11.299 1.00 0.00 H new ATOM 0 HG SER A 37 12.187 -6.962 9.211 1.00 0.00 H new ATOM 592 N GLY A 38 13.896 -3.970 12.136 1.00 0.00 N ATOM 593 CA GLY A 38 14.152 -2.573 11.786 1.00 0.00 C ATOM 594 C GLY A 38 12.875 -1.888 11.319 1.00 0.00 C ATOM 595 O GLY A 38 11.780 -2.212 11.799 1.00 0.00 O ATOM 0 H GLY A 38 13.192 -4.085 12.865 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.557 -2.046 12.650 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.905 -2.523 11.000 1.00 0.00 H new ATOM 599 N ALA A 39 13.028 -0.925 10.397 1.00 0.00 N ATOM 600 CA ALA A 39 11.901 -0.214 9.774 1.00 0.00 C ATOM 601 C ALA A 39 11.152 -1.129 8.792 1.00 0.00 C ATOM 602 O ALA A 39 11.773 -1.738 7.904 1.00 0.00 O ATOM 603 CB ALA A 39 12.413 1.044 9.044 1.00 0.00 C ATOM 0 H ALA A 39 13.940 -0.616 10.061 1.00 0.00 H new ATOM 0 HA ALA A 39 11.206 0.085 10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.573 1.565 8.585 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.904 1.705 9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.125 0.752 8.272 1.00 0.00 H new ATOM 609 N TYR A 40 9.823 -1.200 8.942 1.00 0.00 N ATOM 610 CA TYR A 40 8.952 -1.987 8.041 1.00 0.00 C ATOM 611 C TYR A 40 7.614 -1.255 7.853 1.00 0.00 C ATOM 612 O TYR A 40 7.294 -0.334 8.613 1.00 0.00 O ATOM 613 CB TYR A 40 8.744 -3.447 8.583 1.00 0.00 C ATOM 614 CG TYR A 40 7.542 -3.635 9.537 1.00 0.00 C ATOM 615 CD1 TYR A 40 7.622 -3.305 10.892 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.322 -4.145 9.067 1.00 0.00 C ATOM 617 CE1 TYR A 40 6.537 -3.465 11.729 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.239 -4.302 9.903 1.00 0.00 C ATOM 619 CZ TYR A 40 5.349 -3.967 11.230 1.00 0.00 C ATOM 620 OH TYR A 40 4.265 -4.117 12.063 1.00 0.00 O ATOM 0 H TYR A 40 9.317 -0.718 9.686 1.00 0.00 H new ATOM 0 HA TYR A 40 9.437 -2.079 7.069 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.620 -4.118 7.733 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.651 -3.756 9.103 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.548 -2.918 11.291 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.230 -4.420 8.027 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.615 -3.199 12.773 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.307 -4.687 9.516 1.00 0.00 H new ATOM 0 HH TYR A 40 3.510 -4.480 11.555 1.00 0.00 H new ATOM 630 N VAL A 41 6.826 -1.685 6.850 1.00 0.00 N ATOM 631 CA VAL A 41 5.510 -1.088 6.551 1.00 0.00 C ATOM 632 C VAL A 41 4.411 -2.157 6.622 1.00 0.00 C ATOM 633 O VAL A 41 4.544 -3.216 6.007 1.00 0.00 O ATOM 634 CB VAL A 41 5.447 -0.434 5.118 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.318 0.616 5.038 1.00 0.00 C ATOM 636 CG2 VAL A 41 6.799 0.153 4.683 1.00 0.00 C ATOM 0 H VAL A 41 7.081 -2.451 6.227 1.00 0.00 H new ATOM 0 HA VAL A 41 5.356 -0.310 7.299 1.00 0.00 H new ATOM 0 HB VAL A 41 5.215 -1.231 4.411 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.296 1.052 4.039 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.361 0.138 5.246 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.498 1.401 5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.703 0.591 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.106 0.923 5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.548 -0.638 4.659 1.00 0.00 H new ATOM 646 N HIS A 42 3.346 -1.875 7.379 1.00 0.00 N ATOM 647 CA HIS A 42 2.088 -2.622 7.305 1.00 0.00 C ATOM 648 C HIS A 42 1.194 -1.971 6.238 1.00 0.00 C ATOM 649 O HIS A 42 0.749 -0.827 6.415 1.00 0.00 O ATOM 650 CB HIS A 42 1.376 -2.632 8.688 1.00 0.00 C ATOM 651 CG HIS A 42 -0.026 -3.203 8.675 1.00 0.00 C ATOM 652 ND1 HIS A 42 -0.298 -4.549 8.647 1.00 0.00 N ATOM 653 CD2 HIS A 42 -1.230 -2.587 8.668 1.00 0.00 C ATOM 654 CE1 HIS A 42 -1.600 -4.735 8.623 1.00 0.00 C ATOM 655 NE2 HIS A 42 -2.186 -3.562 8.638 1.00 0.00 N ATOM 0 H HIS A 42 3.333 -1.119 8.063 1.00 0.00 H new ATOM 0 HA HIS A 42 2.290 -3.658 7.031 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.981 -3.207 9.389 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.334 -1.611 9.067 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.403 -1.521 8.683 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -2.101 -5.691 8.596 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -3.194 -3.403 8.629 1.00 0.00 H new ATOM 664 N PHE A 43 0.954 -2.681 5.126 1.00 0.00 N ATOM 665 CA PHE A 43 0.022 -2.232 4.080 1.00 0.00 C ATOM 666 C PHE A 43 -1.344 -2.883 4.347 1.00 0.00 C ATOM 667 O PHE A 43 -1.444 -4.109 4.396 1.00 0.00 O ATOM 668 CB PHE A 43 0.547 -2.599 2.673 1.00 0.00 C ATOM 669 CG PHE A 43 1.923 -2.010 2.341 1.00 0.00 C ATOM 670 CD1 PHE A 43 2.044 -0.705 1.866 1.00 0.00 C ATOM 671 CD2 PHE A 43 3.091 -2.763 2.493 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.283 -0.173 1.558 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.322 -2.232 2.184 1.00 0.00 C ATOM 674 CZ PHE A 43 4.422 -0.937 1.716 1.00 0.00 C ATOM 0 H PHE A 43 1.397 -3.578 4.926 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.072 -1.146 4.108 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.599 -3.684 2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -0.172 -2.256 1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.158 -0.101 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.026 -3.777 2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.360 0.841 1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.213 -2.830 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.389 -0.522 1.474 1.00 0.00 H new ATOM 684 N ASP A 44 -2.375 -2.052 4.531 1.00 0.00 N ATOM 685 CA ASP A 44 -3.703 -2.483 5.004 1.00 0.00 C ATOM 686 C ASP A 44 -4.763 -2.126 3.952 1.00 0.00 C ATOM 687 O ASP A 44 -4.988 -0.944 3.679 1.00 0.00 O ATOM 688 CB ASP A 44 -3.986 -1.778 6.356 1.00 0.00 C ATOM 689 CG ASP A 44 -5.269 -2.249 7.063 1.00 0.00 C ATOM 690 OD1 ASP A 44 -5.204 -3.235 7.838 1.00 0.00 O ATOM 691 OD2 ASP A 44 -6.336 -1.620 6.878 1.00 0.00 O ATOM 0 H ASP A 44 -2.315 -1.049 4.355 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.734 -3.562 5.152 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.138 -1.942 7.021 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.054 -0.704 6.184 1.00 0.00 H new ATOM 696 N MET A 45 -5.393 -3.148 3.352 1.00 0.00 N ATOM 697 CA MET A 45 -6.397 -2.973 2.277 1.00 0.00 C ATOM 698 C MET A 45 -7.760 -3.550 2.700 1.00 0.00 C ATOM 699 O MET A 45 -7.817 -4.555 3.401 1.00 0.00 O ATOM 700 CB MET A 45 -5.914 -3.674 0.968 1.00 0.00 C ATOM 701 CG MET A 45 -4.603 -3.123 0.379 1.00 0.00 C ATOM 702 SD MET A 45 -3.968 -4.117 -0.997 1.00 0.00 S ATOM 703 CE MET A 45 -5.293 -4.036 -2.206 1.00 0.00 C ATOM 0 H MET A 45 -5.224 -4.124 3.595 1.00 0.00 H new ATOM 0 HA MET A 45 -6.512 -1.905 2.093 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.785 -4.737 1.170 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.698 -3.585 0.216 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.767 -2.101 0.036 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.849 -3.078 1.165 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.949 -4.454 -3.152 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.149 -4.607 -1.847 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.587 -2.997 -2.355 1.00 0.00 H new ATOM 713 N ASP A 46 -8.846 -2.892 2.275 1.00 0.00 N ATOM 714 CA ASP A 46 -10.228 -3.404 2.438 1.00 0.00 C ATOM 715 C ASP A 46 -11.135 -2.772 1.377 1.00 0.00 C ATOM 716 O ASP A 46 -10.760 -1.784 0.762 1.00 0.00 O ATOM 717 CB ASP A 46 -10.789 -3.104 3.860 1.00 0.00 C ATOM 718 CG ASP A 46 -11.076 -1.607 4.112 1.00 0.00 C ATOM 719 OD1 ASP A 46 -10.123 -0.849 4.366 1.00 0.00 O ATOM 720 OD2 ASP A 46 -12.254 -1.186 4.050 1.00 0.00 O ATOM 0 H ASP A 46 -8.799 -1.987 1.807 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.205 -4.486 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.709 -3.670 4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.076 -3.458 4.604 1.00 0.00 H new ATOM 725 N GLY A 47 -12.323 -3.344 1.168 1.00 0.00 N ATOM 726 CA GLY A 47 -13.313 -2.762 0.250 1.00 0.00 C ATOM 727 C GLY A 47 -14.405 -3.748 -0.081 1.00 0.00 C ATOM 728 O GLY A 47 -14.604 -4.694 0.684 1.00 0.00 O ATOM 0 H GLY A 47 -12.625 -4.207 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.750 -1.871 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.818 -2.444 -0.667 1.00 0.00 H new ATOM 732 N GLU A 48 -15.124 -3.553 -1.208 1.00 0.00 N ATOM 733 CA GLU A 48 -16.069 -4.560 -1.716 1.00 0.00 C ATOM 734 C GLU A 48 -16.092 -4.553 -3.258 1.00 0.00 C ATOM 735 O GLU A 48 -16.515 -3.587 -3.901 1.00 0.00 O ATOM 736 CB GLU A 48 -17.496 -4.363 -1.130 1.00 0.00 C ATOM 737 CG GLU A 48 -18.116 -2.965 -1.344 1.00 0.00 C ATOM 738 CD GLU A 48 -19.568 -2.869 -0.869 1.00 0.00 C ATOM 739 OE1 GLU A 48 -20.460 -3.399 -1.572 1.00 0.00 O ATOM 740 OE2 GLU A 48 -19.823 -2.275 0.202 1.00 0.00 O ATOM 0 H GLU A 48 -15.065 -2.709 -1.778 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.721 -5.538 -1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.158 -5.107 -1.574 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.461 -4.566 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.517 -2.224 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.070 -2.713 -2.403 1.00 0.00 H new ATOM 747 N ILE A 49 -15.546 -5.632 -3.836 1.00 0.00 N ATOM 748 CA ILE A 49 -15.520 -5.790 -5.309 1.00 0.00 C ATOM 749 C ILE A 49 -16.644 -6.719 -5.779 1.00 0.00 C ATOM 750 O ILE A 49 -16.786 -7.833 -5.265 1.00 0.00 O ATOM 751 CB ILE A 49 -14.125 -6.325 -5.808 1.00 0.00 C ATOM 752 CG1 ILE A 49 -12.954 -5.455 -5.244 1.00 0.00 C ATOM 753 CG2 ILE A 49 -14.074 -6.364 -7.351 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.562 -5.975 -5.572 1.00 0.00 C ATOM 0 H ILE A 49 -15.120 -6.402 -3.320 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.678 -4.803 -5.745 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.004 -7.341 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.050 -4.442 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.057 -5.389 -4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.102 -6.737 -7.674 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -14.857 -7.024 -7.724 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.227 -5.359 -7.746 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -10.814 -5.309 -5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.440 -6.975 -5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.433 -6.013 -6.654 1.00 0.00 H new ATOM 766 N ASP A 50 -17.435 -6.224 -6.764 1.00 0.00 N ATOM 767 CA ASP A 50 -18.623 -6.916 -7.326 1.00 0.00 C ATOM 768 C ASP A 50 -19.715 -7.145 -6.256 1.00 0.00 C ATOM 769 O ASP A 50 -20.640 -7.936 -6.463 1.00 0.00 O ATOM 770 CB ASP A 50 -18.241 -8.264 -8.023 1.00 0.00 C ATOM 771 CG ASP A 50 -17.232 -8.105 -9.178 1.00 0.00 C ATOM 772 OD1 ASP A 50 -17.624 -7.642 -10.258 1.00 0.00 O ATOM 773 OD2 ASP A 50 -16.048 -8.455 -9.017 1.00 0.00 O ATOM 0 H ASP A 50 -17.262 -5.317 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.034 -6.254 -8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -17.822 -8.941 -7.278 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -19.147 -8.733 -8.407 1.00 0.00 H new ATOM 778 N GLY A 51 -19.625 -6.403 -5.134 1.00 0.00 N ATOM 779 CA GLY A 51 -20.516 -6.576 -3.981 1.00 0.00 C ATOM 780 C GLY A 51 -19.861 -7.299 -2.810 1.00 0.00 C ATOM 781 O GLY A 51 -20.345 -7.195 -1.683 1.00 0.00 O ATOM 0 H GLY A 51 -18.930 -5.667 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.859 -5.597 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.399 -7.134 -4.294 1.00 0.00 H new ATOM 785 N LYS A 52 -18.766 -8.045 -3.076 1.00 0.00 N ATOM 786 CA LYS A 52 -18.089 -8.905 -2.079 1.00 0.00 C ATOM 787 C LYS A 52 -17.108 -8.114 -1.184 1.00 0.00 C ATOM 788 O LYS A 52 -16.073 -7.665 -1.681 1.00 0.00 O ATOM 789 CB LYS A 52 -17.325 -10.037 -2.813 1.00 0.00 C ATOM 790 CG LYS A 52 -18.210 -10.975 -3.662 1.00 0.00 C ATOM 791 CD LYS A 52 -17.417 -12.098 -4.396 1.00 0.00 C ATOM 792 CE LYS A 52 -16.895 -13.229 -3.466 1.00 0.00 C ATOM 793 NZ LYS A 52 -15.844 -12.784 -2.508 1.00 0.00 N ATOM 0 H LYS A 52 -18.324 -8.068 -3.995 1.00 0.00 H new ATOM 0 HA LYS A 52 -18.858 -9.321 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.573 -9.587 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -16.793 -10.635 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.959 -11.435 -3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -18.748 -10.381 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.058 -12.539 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.569 -11.649 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.734 -13.641 -2.905 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.495 -14.036 -4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.157 -13.552 -2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -15.356 -11.950 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -16.285 -12.540 -1.598 1.00 0.00 H new ATOM 807 N PRO A 53 -17.412 -7.940 0.151 1.00 0.00 N ATOM 808 CA PRO A 53 -16.499 -7.256 1.092 1.00 0.00 C ATOM 809 C PRO A 53 -15.282 -8.130 1.453 1.00 0.00 C ATOM 810 O PRO A 53 -15.407 -9.351 1.595 1.00 0.00 O ATOM 811 CB PRO A 53 -17.395 -6.978 2.322 1.00 0.00 C ATOM 812 CG PRO A 53 -18.411 -8.081 2.308 1.00 0.00 C ATOM 813 CD PRO A 53 -18.663 -8.390 0.842 1.00 0.00 C ATOM 0 HA PRO A 53 -16.065 -6.349 0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.815 -6.985 3.245 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.871 -6.000 2.253 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.041 -8.960 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.330 -7.773 2.807 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -18.844 -9.453 0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.538 -7.859 0.468 1.00 0.00 H new ATOM 821 N PHE A 54 -14.117 -7.491 1.610 1.00 0.00 N ATOM 822 CA PHE A 54 -12.851 -8.179 1.925 1.00 0.00 C ATOM 823 C PHE A 54 -11.949 -7.265 2.766 1.00 0.00 C ATOM 824 O PHE A 54 -12.149 -6.044 2.804 1.00 0.00 O ATOM 825 CB PHE A 54 -12.107 -8.614 0.618 1.00 0.00 C ATOM 826 CG PHE A 54 -11.460 -7.467 -0.183 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.216 -6.664 -1.038 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.086 -7.203 -0.077 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.625 -5.633 -1.746 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.502 -6.174 -0.785 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.270 -5.392 -1.625 1.00 0.00 C ATOM 0 H PHE A 54 -14.021 -6.479 1.523 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.085 -9.076 2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.332 -9.333 0.883 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.815 -9.132 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.274 -6.850 -1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.476 -7.816 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.225 -5.014 -2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.445 -5.980 -0.683 1.00 0.00 H new ATOM 0 HZ PHE A 54 -9.811 -4.592 -2.187 1.00 0.00 H new ATOM 841 N SER A 55 -10.961 -7.878 3.430 1.00 0.00 N ATOM 842 CA SER A 55 -9.878 -7.171 4.114 1.00 0.00 C ATOM 843 C SER A 55 -8.604 -8.035 4.009 1.00 0.00 C ATOM 844 O SER A 55 -8.593 -9.191 4.450 1.00 0.00 O ATOM 845 CB SER A 55 -10.262 -6.891 5.585 1.00 0.00 C ATOM 846 OG SER A 55 -9.243 -6.177 6.264 1.00 0.00 O ATOM 0 H SER A 55 -10.893 -8.893 3.507 1.00 0.00 H new ATOM 0 HA SER A 55 -9.695 -6.203 3.647 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.190 -6.320 5.617 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.450 -7.834 6.098 1.00 0.00 H new ATOM 0 HG SER A 55 -9.519 -6.015 7.190 1.00 0.00 H new ATOM 852 N ASP A 56 -7.547 -7.468 3.412 1.00 0.00 N ATOM 853 CA ASP A 56 -6.287 -8.179 3.112 1.00 0.00 C ATOM 854 C ASP A 56 -5.114 -7.246 3.438 1.00 0.00 C ATOM 855 O ASP A 56 -5.218 -6.036 3.241 1.00 0.00 O ATOM 856 CB ASP A 56 -6.248 -8.601 1.611 1.00 0.00 C ATOM 857 CG ASP A 56 -5.140 -9.630 1.295 1.00 0.00 C ATOM 858 OD1 ASP A 56 -3.947 -9.260 1.229 1.00 0.00 O ATOM 859 OD2 ASP A 56 -5.463 -10.826 1.118 1.00 0.00 O ATOM 0 H ASP A 56 -7.538 -6.491 3.118 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.217 -9.084 3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.215 -9.021 1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.097 -7.714 0.995 1.00 0.00 H new ATOM 864 N SER A 57 -3.996 -7.808 3.916 1.00 0.00 N ATOM 865 CA SER A 57 -2.826 -7.022 4.331 1.00 0.00 C ATOM 866 C SER A 57 -1.518 -7.754 3.993 1.00 0.00 C ATOM 867 O SER A 57 -1.443 -8.987 4.061 1.00 0.00 O ATOM 868 CB SER A 57 -2.916 -6.703 5.846 1.00 0.00 C ATOM 869 OG SER A 57 -3.094 -7.878 6.627 1.00 0.00 O ATOM 0 H SER A 57 -3.877 -8.815 4.026 1.00 0.00 H new ATOM 0 HA SER A 57 -2.822 -6.083 3.778 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.008 -6.191 6.163 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.746 -6.020 6.024 1.00 0.00 H new ATOM 0 HG SER A 57 -3.144 -7.636 7.575 1.00 0.00 H new ATOM 875 N PHE A 58 -0.493 -6.974 3.622 1.00 0.00 N ATOM 876 CA PHE A 58 0.864 -7.471 3.350 1.00 0.00 C ATOM 877 C PHE A 58 1.875 -6.506 3.976 1.00 0.00 C ATOM 878 O PHE A 58 1.695 -5.294 3.916 1.00 0.00 O ATOM 879 CB PHE A 58 1.111 -7.654 1.821 1.00 0.00 C ATOM 880 CG PHE A 58 0.926 -6.396 0.951 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.349 -5.957 0.582 1.00 0.00 C ATOM 882 CD2 PHE A 58 2.028 -5.667 0.484 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.514 -4.839 -0.210 1.00 0.00 C ATOM 884 CE2 PHE A 58 1.857 -4.547 -0.312 1.00 0.00 C ATOM 885 CZ PHE A 58 0.588 -4.137 -0.659 1.00 0.00 C ATOM 0 H PHE A 58 -0.584 -5.965 3.501 1.00 0.00 H new ATOM 0 HA PHE A 58 0.985 -8.457 3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.127 -8.023 1.679 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.436 -8.427 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.218 -6.501 0.922 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.026 -5.984 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.507 -4.512 -0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.717 -3.995 -0.661 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.455 -3.266 -1.283 1.00 0.00 H new ATOM 895 N GLU A 59 2.910 -7.054 4.619 1.00 0.00 N ATOM 896 CA GLU A 59 3.940 -6.264 5.312 1.00 0.00 C ATOM 897 C GLU A 59 5.282 -6.439 4.596 1.00 0.00 C ATOM 898 O GLU A 59 5.731 -7.571 4.389 1.00 0.00 O ATOM 899 CB GLU A 59 4.064 -6.677 6.808 1.00 0.00 C ATOM 900 CG GLU A 59 2.827 -6.372 7.690 1.00 0.00 C ATOM 901 CD GLU A 59 1.589 -7.242 7.390 1.00 0.00 C ATOM 902 OE1 GLU A 59 1.649 -8.465 7.619 1.00 0.00 O ATOM 903 OE2 GLU A 59 0.550 -6.708 6.949 1.00 0.00 O ATOM 0 H GLU A 59 3.061 -8.061 4.676 1.00 0.00 H new ATOM 0 HA GLU A 59 3.647 -5.215 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.267 -7.747 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.928 -6.169 7.236 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.102 -6.505 8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.557 -5.324 7.562 1.00 0.00 H new ATOM 910 N LEU A 60 5.918 -5.316 4.225 1.00 0.00 N ATOM 911 CA LEU A 60 7.206 -5.311 3.508 1.00 0.00 C ATOM 912 C LEU A 60 8.177 -4.371 4.244 1.00 0.00 C ATOM 913 O LEU A 60 7.820 -3.215 4.496 1.00 0.00 O ATOM 914 CB LEU A 60 7.020 -4.854 2.030 1.00 0.00 C ATOM 915 CG LEU A 60 6.114 -5.762 1.131 1.00 0.00 C ATOM 916 CD1 LEU A 60 5.871 -5.123 -0.253 1.00 0.00 C ATOM 917 CD2 LEU A 60 6.712 -7.184 0.987 1.00 0.00 C ATOM 0 H LEU A 60 5.553 -4.382 4.414 1.00 0.00 H new ATOM 0 HA LEU A 60 7.613 -6.322 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.600 -3.848 2.033 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.004 -4.787 1.566 1.00 0.00 H new ATOM 0 HG LEU A 60 5.148 -5.853 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.239 -5.779 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.377 -4.159 -0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.825 -4.978 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.061 -7.791 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.700 -7.119 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.797 -7.644 1.971 1.00 0.00 H new ATOM 929 N PRO A 61 9.402 -4.856 4.632 1.00 0.00 N ATOM 930 CA PRO A 61 10.462 -3.988 5.206 1.00 0.00 C ATOM 931 C PRO A 61 11.005 -2.991 4.162 1.00 0.00 C ATOM 932 O PRO A 61 10.773 -3.176 2.980 1.00 0.00 O ATOM 933 CB PRO A 61 11.541 -5.008 5.662 1.00 0.00 C ATOM 934 CG PRO A 61 11.340 -6.194 4.772 1.00 0.00 C ATOM 935 CD PRO A 61 9.845 -6.280 4.552 1.00 0.00 C ATOM 0 HA PRO A 61 10.109 -3.358 6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.545 -4.597 5.555 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.416 -5.274 6.712 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.870 -6.071 3.828 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.722 -7.103 5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.606 -6.722 3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.362 -6.895 5.311 1.00 0.00 H new ATOM 943 N ARG A 62 11.716 -1.941 4.627 1.00 0.00 N ATOM 944 CA ARG A 62 12.342 -0.891 3.768 1.00 0.00 C ATOM 945 C ARG A 62 13.106 -1.468 2.550 1.00 0.00 C ATOM 946 O ARG A 62 13.056 -0.917 1.443 1.00 0.00 O ATOM 947 CB ARG A 62 13.309 -0.051 4.631 1.00 0.00 C ATOM 948 CG ARG A 62 13.976 1.131 3.900 1.00 0.00 C ATOM 949 CD ARG A 62 14.930 1.914 4.805 1.00 0.00 C ATOM 950 NE ARG A 62 16.096 1.109 5.206 1.00 0.00 N ATOM 951 CZ ARG A 62 16.919 1.383 6.231 1.00 0.00 C ATOM 952 NH1 ARG A 62 16.691 2.419 7.028 1.00 0.00 N ATOM 953 NH2 ARG A 62 17.966 0.603 6.459 1.00 0.00 N ATOM 0 H ARG A 62 11.878 -1.789 5.623 1.00 0.00 H new ATOM 0 HA ARG A 62 11.534 -0.278 3.367 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.762 0.335 5.491 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.089 -0.706 5.018 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.525 0.757 3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.205 1.802 3.522 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.270 2.810 4.285 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.395 2.246 5.695 1.00 0.00 H new ATOM 0 HE ARG A 62 16.296 0.272 4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 62 15.882 3.019 6.866 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.324 2.615 7.803 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.144 -0.201 5.857 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.594 0.807 7.236 1.00 0.00 H new ATOM 967 N ASP A 63 13.762 -2.604 2.790 1.00 0.00 N ATOM 968 CA ASP A 63 14.595 -3.311 1.797 1.00 0.00 C ATOM 969 C ASP A 63 13.767 -3.800 0.579 1.00 0.00 C ATOM 970 O ASP A 63 14.285 -3.877 -0.538 1.00 0.00 O ATOM 971 CB ASP A 63 15.310 -4.504 2.486 1.00 0.00 C ATOM 972 CG ASP A 63 16.268 -5.279 1.561 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.344 -4.737 1.220 1.00 0.00 O ATOM 974 OD2 ASP A 63 15.942 -6.417 1.159 1.00 0.00 O ATOM 0 H ASP A 63 13.733 -3.073 3.695 1.00 0.00 H new ATOM 0 HA ASP A 63 15.335 -2.609 1.412 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.871 -4.132 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.557 -5.192 2.871 1.00 0.00 H new ATOM 979 N THR A 64 12.477 -4.104 0.804 1.00 0.00 N ATOM 980 CA THR A 64 11.562 -4.643 -0.231 1.00 0.00 C ATOM 981 C THR A 64 10.242 -3.837 -0.279 1.00 0.00 C ATOM 982 O THR A 64 9.277 -4.253 -0.930 1.00 0.00 O ATOM 983 CB THR A 64 11.264 -6.155 0.033 1.00 0.00 C ATOM 984 OG1 THR A 64 10.760 -6.318 1.366 1.00 0.00 O ATOM 985 CG2 THR A 64 12.519 -7.034 -0.153 1.00 0.00 C ATOM 0 H THR A 64 12.032 -3.984 1.714 1.00 0.00 H new ATOM 0 HA THR A 64 12.056 -4.547 -1.198 1.00 0.00 H new ATOM 0 HB THR A 64 10.521 -6.478 -0.696 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.572 -7.265 1.531 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.265 -8.076 0.041 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.886 -6.933 -1.175 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.294 -6.714 0.544 1.00 0.00 H new ATOM 993 N ALA A 65 10.229 -2.667 0.400 1.00 0.00 N ATOM 994 CA ALA A 65 9.057 -1.760 0.452 1.00 0.00 C ATOM 995 C ALA A 65 8.667 -1.254 -0.945 1.00 0.00 C ATOM 996 O ALA A 65 7.515 -0.957 -1.196 1.00 0.00 O ATOM 997 CB ALA A 65 9.335 -0.579 1.395 1.00 0.00 C ATOM 0 H ALA A 65 11.031 -2.324 0.928 1.00 0.00 H new ATOM 0 HA ALA A 65 8.214 -2.331 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.465 0.077 1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.538 -0.954 2.398 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.199 -0.021 1.035 1.00 0.00 H new ATOM 1003 N PHE A 66 9.669 -1.184 -1.831 1.00 0.00 N ATOM 1004 CA PHE A 66 9.516 -0.725 -3.234 1.00 0.00 C ATOM 1005 C PHE A 66 8.737 -1.717 -4.135 1.00 0.00 C ATOM 1006 O PHE A 66 8.478 -1.417 -5.307 1.00 0.00 O ATOM 1007 CB PHE A 66 10.921 -0.430 -3.816 1.00 0.00 C ATOM 1008 CG PHE A 66 11.734 0.519 -2.939 1.00 0.00 C ATOM 1009 CD1 PHE A 66 11.220 1.765 -2.586 1.00 0.00 C ATOM 1010 CD2 PHE A 66 12.987 0.157 -2.440 1.00 0.00 C ATOM 1011 CE1 PHE A 66 11.928 2.617 -1.780 1.00 0.00 C ATOM 1012 CE2 PHE A 66 13.695 1.014 -1.623 1.00 0.00 C ATOM 1013 CZ PHE A 66 13.165 2.246 -1.294 1.00 0.00 C ATOM 0 H PHE A 66 10.627 -1.447 -1.598 1.00 0.00 H new ATOM 0 HA PHE A 66 8.910 0.181 -3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 66 11.466 -1.367 -3.933 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.814 0.003 -4.811 1.00 0.00 H new ATOM 0 HD1 PHE A 66 10.249 2.064 -2.953 1.00 0.00 H new ATOM 0 HD2 PHE A 66 13.406 -0.805 -2.697 1.00 0.00 H new ATOM 0 HE1 PHE A 66 11.517 3.582 -1.524 1.00 0.00 H new ATOM 0 HE2 PHE A 66 14.662 0.722 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.719 2.919 -0.656 1.00 0.00 H new ATOM 1023 N ASN A 67 8.343 -2.875 -3.575 1.00 0.00 N ATOM 1024 CA ASN A 67 7.489 -3.870 -4.264 1.00 0.00 C ATOM 1025 C ASN A 67 6.006 -3.663 -3.891 1.00 0.00 C ATOM 1026 O ASN A 67 5.142 -4.456 -4.294 1.00 0.00 O ATOM 1027 CB ASN A 67 7.936 -5.306 -3.877 1.00 0.00 C ATOM 1028 CG ASN A 67 9.352 -5.645 -4.351 1.00 0.00 C ATOM 1029 OD1 ASN A 67 9.539 -6.173 -5.447 1.00 0.00 O ATOM 1030 ND2 ASN A 67 10.352 -5.345 -3.535 1.00 0.00 N ATOM 0 H ASN A 67 8.607 -3.151 -2.629 1.00 0.00 H new ATOM 0 HA ASN A 67 7.598 -3.736 -5.340 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.886 -5.415 -2.794 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.236 -6.025 -4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.313 -5.551 -3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.161 -4.908 -2.634 1.00 0.00 H new ATOM 1037 N PHE A 68 5.736 -2.586 -3.116 1.00 0.00 N ATOM 1038 CA PHE A 68 4.418 -2.292 -2.539 1.00 0.00 C ATOM 1039 C PHE A 68 3.309 -2.218 -3.593 1.00 0.00 C ATOM 1040 O PHE A 68 2.275 -2.846 -3.435 1.00 0.00 O ATOM 1041 CB PHE A 68 4.460 -0.975 -1.713 1.00 0.00 C ATOM 1042 CG PHE A 68 4.599 0.329 -2.524 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.814 0.707 -3.103 1.00 0.00 C ATOM 1044 CD2 PHE A 68 3.498 1.164 -2.710 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.925 1.870 -3.838 1.00 0.00 C ATOM 1046 CE2 PHE A 68 3.610 2.327 -3.444 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.822 2.684 -4.005 1.00 0.00 C ATOM 0 H PHE A 68 6.443 -1.892 -2.875 1.00 0.00 H new ATOM 0 HA PHE A 68 4.177 -3.126 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.549 -0.914 -1.118 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.294 -1.035 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.682 0.077 -2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.546 0.897 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.871 2.143 -4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.747 2.961 -3.581 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.906 3.599 -4.573 1.00 0.00 H new ATOM 1057 N ALA A 69 3.552 -1.451 -4.676 1.00 0.00 N ATOM 1058 CA ALA A 69 2.515 -1.082 -5.648 1.00 0.00 C ATOM 1059 C ALA A 69 2.155 -2.245 -6.557 1.00 0.00 C ATOM 1060 O ALA A 69 0.996 -2.401 -6.919 1.00 0.00 O ATOM 1061 CB ALA A 69 2.975 0.121 -6.468 1.00 0.00 C ATOM 0 H ALA A 69 4.473 -1.073 -4.897 1.00 0.00 H new ATOM 0 HA ALA A 69 1.615 -0.815 -5.095 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.201 0.389 -7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.161 0.965 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.892 -0.131 -7.000 1.00 0.00 H new ATOM 1067 N SER A 70 3.160 -3.070 -6.896 1.00 0.00 N ATOM 1068 CA SER A 70 2.986 -4.212 -7.805 1.00 0.00 C ATOM 1069 C SER A 70 2.183 -5.305 -7.098 1.00 0.00 C ATOM 1070 O SER A 70 1.310 -5.932 -7.701 1.00 0.00 O ATOM 1071 CB SER A 70 4.368 -4.733 -8.258 1.00 0.00 C ATOM 1072 OG SER A 70 5.208 -4.983 -7.143 1.00 0.00 O ATOM 0 H SER A 70 4.113 -2.963 -6.548 1.00 0.00 H new ATOM 0 HA SER A 70 2.436 -3.902 -8.693 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.244 -5.648 -8.836 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.838 -4.002 -8.915 1.00 0.00 H new ATOM 0 HG SER A 70 6.076 -5.313 -7.455 1.00 0.00 H new ATOM 1078 N ASP A 71 2.492 -5.500 -5.799 1.00 0.00 N ATOM 1079 CA ASP A 71 1.747 -6.421 -4.928 1.00 0.00 C ATOM 1080 C ASP A 71 0.307 -5.903 -4.706 1.00 0.00 C ATOM 1081 O ASP A 71 -0.637 -6.617 -4.977 1.00 0.00 O ATOM 1082 CB ASP A 71 2.482 -6.606 -3.571 1.00 0.00 C ATOM 1083 CG ASP A 71 1.987 -7.832 -2.771 1.00 0.00 C ATOM 1084 OD1 ASP A 71 0.901 -7.768 -2.159 1.00 0.00 O ATOM 1085 OD2 ASP A 71 2.678 -8.876 -2.779 1.00 0.00 O ATOM 0 H ASP A 71 3.262 -5.024 -5.330 1.00 0.00 H new ATOM 0 HA ASP A 71 1.691 -7.393 -5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.551 -6.709 -3.756 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.348 -5.708 -2.967 1.00 0.00 H new ATOM 1090 N ALA A 72 0.191 -4.658 -4.193 1.00 0.00 N ATOM 1091 CA ALA A 72 -1.103 -3.937 -3.981 1.00 0.00 C ATOM 1092 C ALA A 72 -2.055 -4.013 -5.196 1.00 0.00 C ATOM 1093 O ALA A 72 -3.263 -4.187 -5.034 1.00 0.00 O ATOM 1094 CB ALA A 72 -0.845 -2.465 -3.609 1.00 0.00 C ATOM 0 H ALA A 72 1.002 -4.109 -3.907 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.603 -4.447 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.797 -1.956 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.260 -2.419 -2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.296 -1.977 -4.414 1.00 0.00 H new ATOM 1100 N THR A 73 -1.481 -3.886 -6.401 1.00 0.00 N ATOM 1101 CA THR A 73 -2.232 -3.981 -7.667 1.00 0.00 C ATOM 1102 C THR A 73 -2.675 -5.439 -7.920 1.00 0.00 C ATOM 1103 O THR A 73 -3.841 -5.695 -8.225 1.00 0.00 O ATOM 1104 CB THR A 73 -1.372 -3.446 -8.864 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.070 -2.058 -8.649 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.068 -3.598 -10.232 1.00 0.00 C ATOM 0 H THR A 73 -0.484 -3.715 -6.528 1.00 0.00 H new ATOM 0 HA THR A 73 -3.123 -3.359 -7.587 1.00 0.00 H new ATOM 0 HB THR A 73 -0.465 -4.050 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.309 -1.980 -8.036 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.419 -3.208 -11.016 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.273 -4.652 -10.421 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.005 -3.041 -10.227 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.729 -6.379 -7.733 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.941 -7.820 -7.979 1.00 0.00 C ATOM 1116 C ARG A 74 -3.045 -8.388 -7.067 1.00 0.00 C ATOM 1117 O ARG A 74 -3.976 -9.015 -7.550 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.617 -8.583 -7.740 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.643 -10.087 -8.106 1.00 0.00 C ATOM 1120 CD ARG A 74 0.568 -10.850 -7.530 1.00 0.00 C ATOM 1121 NE ARG A 74 1.847 -10.156 -7.806 1.00 0.00 N ATOM 1122 CZ ARG A 74 2.712 -9.705 -6.876 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.475 -9.878 -5.580 1.00 0.00 N ATOM 1124 NH2 ARG A 74 3.804 -9.066 -7.254 1.00 0.00 N ATOM 0 H ARG A 74 -0.789 -6.159 -7.404 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.261 -7.949 -9.013 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.171 -8.099 -8.317 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.346 -8.487 -6.689 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.563 -10.534 -7.731 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.655 -10.195 -9.191 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.444 -10.966 -6.453 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.601 -11.852 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 74 2.095 -10.006 -8.784 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.628 -10.358 -5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.140 -9.531 -4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.990 -8.916 -8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.462 -8.723 -6.554 1.00 0.00 H new ATOM 1138 N VAL A 75 -2.926 -8.129 -5.754 1.00 0.00 N ATOM 1139 CA VAL A 75 -3.842 -8.658 -4.728 1.00 0.00 C ATOM 1140 C VAL A 75 -5.240 -8.034 -4.874 1.00 0.00 C ATOM 1141 O VAL A 75 -6.247 -8.719 -4.677 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.267 -8.462 -3.273 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -3.090 -6.974 -2.897 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -4.128 -9.200 -2.221 1.00 0.00 C ATOM 0 H VAL A 75 -2.185 -7.542 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.935 -9.732 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.272 -8.908 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.691 -6.899 -1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.399 -6.502 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.055 -6.469 -2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.704 -9.044 -1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.146 -8.810 -2.246 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.142 -10.266 -2.446 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.289 -6.751 -5.283 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.553 -6.061 -5.607 1.00 0.00 C ATOM 1156 C ALA A 76 -7.275 -6.789 -6.753 1.00 0.00 C ATOM 1157 O ALA A 76 -8.501 -6.981 -6.721 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.266 -4.601 -5.987 1.00 0.00 C ATOM 0 H ALA A 76 -4.460 -6.168 -5.397 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.202 -6.072 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.202 -4.096 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.784 -4.095 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.608 -4.574 -6.855 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.467 -7.254 -7.722 1.00 0.00 N ATOM 1165 CA GLN A 77 -6.951 -7.938 -8.921 1.00 0.00 C ATOM 1166 C GLN A 77 -7.381 -9.382 -8.610 1.00 0.00 C ATOM 1167 O GLN A 77 -8.372 -9.871 -9.170 1.00 0.00 O ATOM 1168 CB GLN A 77 -5.894 -7.894 -10.060 1.00 0.00 C ATOM 1169 CG GLN A 77 -5.709 -6.493 -10.692 1.00 0.00 C ATOM 1170 CD GLN A 77 -4.774 -6.474 -11.906 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -4.651 -7.456 -12.634 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -4.140 -5.341 -12.153 1.00 0.00 N ATOM 0 H GLN A 77 -5.452 -7.162 -7.689 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.834 -7.403 -9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.936 -8.233 -9.666 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.185 -8.598 -10.840 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.684 -6.110 -10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.318 -5.813 -9.935 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.262 -4.542 -11.530 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.529 -5.265 -12.966 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.645 -10.049 -7.701 1.00 0.00 N ATOM 1182 CA LYS A 78 -6.974 -11.407 -7.227 1.00 0.00 C ATOM 1183 C LYS A 78 -8.318 -11.421 -6.474 1.00 0.00 C ATOM 1184 O LYS A 78 -9.077 -12.388 -6.558 1.00 0.00 O ATOM 1185 CB LYS A 78 -5.840 -11.943 -6.310 1.00 0.00 C ATOM 1186 CG LYS A 78 -4.471 -12.117 -7.022 1.00 0.00 C ATOM 1187 CD LYS A 78 -3.307 -12.443 -6.045 1.00 0.00 C ATOM 1188 CE LYS A 78 -3.487 -13.792 -5.320 1.00 0.00 C ATOM 1189 NZ LYS A 78 -3.515 -14.939 -6.266 1.00 0.00 N ATOM 0 H LYS A 78 -5.804 -9.661 -7.274 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.066 -12.057 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.715 -11.260 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.146 -12.904 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.552 -12.916 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.234 -11.203 -7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.368 -12.457 -6.599 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.228 -11.647 -5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.674 -13.931 -4.607 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.414 -13.774 -4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.535 -15.830 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.363 -14.875 -6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.666 -14.915 -6.866 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.595 -10.322 -5.751 1.00 0.00 N ATOM 1204 CA HIS A 79 -9.839 -10.156 -4.976 1.00 0.00 C ATOM 1205 C HIS A 79 -11.046 -9.727 -5.852 1.00 0.00 C ATOM 1206 O HIS A 79 -12.133 -9.507 -5.315 1.00 0.00 O ATOM 1207 CB HIS A 79 -9.610 -9.178 -3.783 1.00 0.00 C ATOM 1208 CG HIS A 79 -8.908 -9.806 -2.591 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -9.571 -10.215 -1.448 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -7.609 -10.107 -2.374 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -8.705 -10.715 -0.588 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -7.512 -10.666 -1.130 1.00 0.00 N ATOM 0 H HIS A 79 -7.964 -9.523 -5.687 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.102 -11.135 -4.574 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.022 -8.329 -4.131 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.574 -8.786 -3.458 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.793 -9.937 -3.061 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.938 -11.099 0.394 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.650 -10.993 -0.694 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.876 -9.612 -7.189 1.00 0.00 N ATOM 1222 CA GLY A 80 -12.031 -9.507 -8.104 1.00 0.00 C ATOM 1223 C GLY A 80 -11.833 -8.497 -9.219 1.00 0.00 C ATOM 1224 O GLY A 80 -12.378 -8.669 -10.322 1.00 0.00 O ATOM 0 H GLY A 80 -9.966 -9.590 -7.650 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.227 -10.486 -8.542 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.915 -9.232 -7.529 1.00 0.00 H new ATOM 1228 N LEU A 81 -11.072 -7.430 -8.913 1.00 0.00 N ATOM 1229 CA LEU A 81 -10.750 -6.347 -9.861 1.00 0.00 C ATOM 1230 C LEU A 81 -10.070 -6.911 -11.125 1.00 0.00 C ATOM 1231 O LEU A 81 -9.067 -7.602 -11.041 1.00 0.00 O ATOM 1232 CB LEU A 81 -9.851 -5.302 -9.132 1.00 0.00 C ATOM 1233 CG LEU A 81 -9.062 -4.257 -9.993 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -9.987 -3.386 -10.867 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -8.172 -3.380 -9.085 1.00 0.00 C ATOM 0 H LEU A 81 -10.659 -7.294 -7.990 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.664 -5.855 -10.193 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.484 -4.748 -8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.125 -5.851 -8.532 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.428 -4.818 -10.680 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.387 -2.681 -11.441 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.549 -4.024 -11.549 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.680 -2.837 -10.229 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.629 -2.658 -9.695 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.796 -2.850 -8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.461 -4.012 -8.552 1.00 0.00 H new ATOM 1466 N TYR A 95 3.412 8.242 -9.544 1.00 0.00 N ATOM 1467 CA TYR A 95 3.977 7.096 -8.824 1.00 0.00 C ATOM 1468 C TYR A 95 5.269 7.451 -8.083 1.00 0.00 C ATOM 1469 O TYR A 95 5.467 6.999 -6.965 1.00 0.00 O ATOM 1470 CB TYR A 95 4.236 5.923 -9.808 1.00 0.00 C ATOM 1471 CG TYR A 95 4.905 4.695 -9.154 1.00 0.00 C ATOM 1472 CD1 TYR A 95 4.224 3.933 -8.207 1.00 0.00 C ATOM 1473 CD2 TYR A 95 6.223 4.322 -9.458 1.00 0.00 C ATOM 1474 CE1 TYR A 95 4.824 2.855 -7.596 1.00 0.00 C ATOM 1475 CE2 TYR A 95 6.824 3.241 -8.841 1.00 0.00 C ATOM 1476 CZ TYR A 95 6.117 2.510 -7.914 1.00 0.00 C ATOM 1477 OH TYR A 95 6.706 1.428 -7.296 1.00 0.00 O ATOM 0 HA TYR A 95 3.245 6.794 -8.074 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.288 5.616 -10.250 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.867 6.278 -10.623 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.208 4.192 -7.948 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.779 4.891 -10.189 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.278 2.278 -6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 95 7.841 2.972 -9.085 1.00 0.00 H new ATOM 0 HH TYR A 95 6.525 1.463 -6.333 1.00 0.00 H new ATOM 1487 N ASP A 96 6.137 8.235 -8.737 1.00 0.00 N ATOM 1488 CA ASP A 96 7.456 8.632 -8.191 1.00 0.00 C ATOM 1489 C ASP A 96 7.329 9.318 -6.822 1.00 0.00 C ATOM 1490 O ASP A 96 8.097 9.014 -5.908 1.00 0.00 O ATOM 1491 CB ASP A 96 8.181 9.571 -9.183 1.00 0.00 C ATOM 1492 CG ASP A 96 8.428 8.923 -10.547 1.00 0.00 C ATOM 1493 OD1 ASP A 96 7.476 8.843 -11.356 1.00 0.00 O ATOM 1494 OD2 ASP A 96 9.564 8.481 -10.817 1.00 0.00 O ATOM 0 H ASP A 96 5.950 8.617 -9.664 1.00 0.00 H new ATOM 0 HA ASP A 96 8.040 7.722 -8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.588 10.475 -9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.135 9.877 -8.754 1.00 0.00 H new ATOM 1499 N ALA A 97 6.332 10.216 -6.703 1.00 0.00 N ATOM 1500 CA ALA A 97 6.055 10.961 -5.462 1.00 0.00 C ATOM 1501 C ALA A 97 5.708 9.996 -4.312 1.00 0.00 C ATOM 1502 O ALA A 97 6.257 10.107 -3.219 1.00 0.00 O ATOM 1503 CB ALA A 97 4.922 11.977 -5.695 1.00 0.00 C ATOM 0 H ALA A 97 5.696 10.445 -7.467 1.00 0.00 H new ATOM 0 HA ALA A 97 6.953 11.509 -5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.726 12.522 -4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.218 12.679 -6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.019 11.451 -6.004 1.00 0.00 H new ATOM 1509 N MET A 98 4.817 9.031 -4.609 1.00 0.00 N ATOM 1510 CA MET A 98 4.396 7.967 -3.668 1.00 0.00 C ATOM 1511 C MET A 98 5.597 7.085 -3.237 1.00 0.00 C ATOM 1512 O MET A 98 5.841 6.878 -2.046 1.00 0.00 O ATOM 1513 CB MET A 98 3.297 7.098 -4.348 1.00 0.00 C ATOM 1514 CG MET A 98 2.763 5.918 -3.513 1.00 0.00 C ATOM 1515 SD MET A 98 1.596 4.876 -4.427 1.00 0.00 S ATOM 1516 CE MET A 98 0.253 6.010 -4.758 1.00 0.00 C ATOM 0 H MET A 98 4.362 8.965 -5.519 1.00 0.00 H new ATOM 0 HA MET A 98 3.995 8.431 -2.767 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.458 7.744 -4.607 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.698 6.705 -5.283 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.602 5.308 -3.178 1.00 0.00 H new ATOM 0 HG3 MET A 98 2.274 6.305 -2.619 1.00 0.00 H new ATOM 0 HE1 MET A 98 -0.146 5.821 -5.755 1.00 0.00 H new ATOM 0 HE2 MET A 98 -0.535 5.867 -4.019 1.00 0.00 H new ATOM 0 HE3 MET A 98 0.620 7.035 -4.703 1.00 0.00 H new ATOM 1526 N PHE A 99 6.322 6.598 -4.248 1.00 0.00 N ATOM 1527 CA PHE A 99 7.498 5.708 -4.121 1.00 0.00 C ATOM 1528 C PHE A 99 8.546 6.262 -3.127 1.00 0.00 C ATOM 1529 O PHE A 99 8.970 5.567 -2.190 1.00 0.00 O ATOM 1530 CB PHE A 99 8.105 5.536 -5.545 1.00 0.00 C ATOM 1531 CG PHE A 99 9.330 4.619 -5.655 1.00 0.00 C ATOM 1532 CD1 PHE A 99 9.181 3.253 -5.895 1.00 0.00 C ATOM 1533 CD2 PHE A 99 10.628 5.129 -5.539 1.00 0.00 C ATOM 1534 CE1 PHE A 99 10.283 2.429 -6.012 1.00 0.00 C ATOM 1535 CE2 PHE A 99 11.728 4.302 -5.657 1.00 0.00 C ATOM 1536 CZ PHE A 99 11.557 2.953 -5.896 1.00 0.00 C ATOM 0 H PHE A 99 6.103 6.817 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 99 7.189 4.745 -3.715 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.328 5.149 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.380 6.521 -5.921 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.190 2.834 -5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.772 6.183 -5.355 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.149 1.373 -6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 99 12.723 4.711 -5.562 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.418 2.308 -5.992 1.00 0.00 H new ATOM 1546 N GLU A 100 8.935 7.524 -3.343 1.00 0.00 N ATOM 1547 CA GLU A 100 10.007 8.169 -2.569 1.00 0.00 C ATOM 1548 C GLU A 100 9.505 8.718 -1.221 1.00 0.00 C ATOM 1549 O GLU A 100 10.285 8.833 -0.267 1.00 0.00 O ATOM 1550 CB GLU A 100 10.718 9.256 -3.398 1.00 0.00 C ATOM 1551 CG GLU A 100 9.873 10.502 -3.701 1.00 0.00 C ATOM 1552 CD GLU A 100 10.625 11.507 -4.573 1.00 0.00 C ATOM 1553 OE1 GLU A 100 11.556 12.162 -4.063 1.00 0.00 O ATOM 1554 OE2 GLU A 100 10.319 11.629 -5.770 1.00 0.00 O ATOM 0 H GLU A 100 8.520 8.126 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 100 10.741 7.398 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.617 9.567 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.042 8.817 -4.342 1.00 0.00 H new ATOM 0 HG2 GLU A 100 8.953 10.203 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.583 10.980 -2.765 1.00 0.00 H new ATOM 1561 N ASP A 101 8.212 9.073 -1.139 1.00 0.00 N ATOM 1562 CA ASP A 101 7.596 9.506 0.134 1.00 0.00 C ATOM 1563 C ASP A 101 7.569 8.329 1.128 1.00 0.00 C ATOM 1564 O ASP A 101 7.722 8.525 2.335 1.00 0.00 O ATOM 1565 CB ASP A 101 6.170 10.054 -0.100 1.00 0.00 C ATOM 1566 CG ASP A 101 5.480 10.552 1.189 1.00 0.00 C ATOM 1567 OD1 ASP A 101 5.877 11.614 1.709 1.00 0.00 O ATOM 1568 OD2 ASP A 101 4.548 9.876 1.686 1.00 0.00 O ATOM 0 H ASP A 101 7.572 9.070 -1.933 1.00 0.00 H new ATOM 0 HA ASP A 101 8.197 10.312 0.555 1.00 0.00 H new ATOM 0 HB2 ASP A 101 6.218 10.874 -0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.559 9.272 -0.551 1.00 0.00 H new ATOM 1573 N ILE A 102 7.334 7.110 0.597 1.00 0.00 N ATOM 1574 CA ILE A 102 7.460 5.856 1.365 1.00 0.00 C ATOM 1575 C ILE A 102 8.890 5.677 1.931 1.00 0.00 C ATOM 1576 O ILE A 102 9.033 5.566 3.138 1.00 0.00 O ATOM 1577 CB ILE A 102 6.992 4.604 0.513 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.430 4.604 0.395 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.516 3.250 1.069 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.819 3.380 -0.251 1.00 0.00 C ATOM 0 H ILE A 102 7.053 6.969 -0.373 1.00 0.00 H new ATOM 0 HA ILE A 102 6.789 5.925 2.221 1.00 0.00 H new ATOM 0 HB ILE A 102 7.433 4.702 -0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.009 4.713 1.394 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.127 5.482 -0.176 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.159 2.435 0.439 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.606 3.255 1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.151 3.109 2.086 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.735 3.487 -0.280 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.201 3.276 -1.267 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.081 2.494 0.328 1.00 0.00 H new ATOM 1592 N ARG A 103 9.936 5.711 1.064 1.00 0.00 N ATOM 1593 CA ARG A 103 11.351 5.514 1.525 1.00 0.00 C ATOM 1594 C ARG A 103 11.748 6.558 2.591 1.00 0.00 C ATOM 1595 O ARG A 103 12.592 6.294 3.455 1.00 0.00 O ATOM 1596 CB ARG A 103 12.387 5.419 0.357 1.00 0.00 C ATOM 1597 CG ARG A 103 12.599 6.645 -0.567 1.00 0.00 C ATOM 1598 CD ARG A 103 13.513 7.742 0.012 1.00 0.00 C ATOM 1599 NE ARG A 103 13.771 8.812 -0.978 1.00 0.00 N ATOM 1600 CZ ARG A 103 13.411 10.105 -0.864 1.00 0.00 C ATOM 1601 NH1 ARG A 103 12.770 10.547 0.211 1.00 0.00 N ATOM 1602 NH2 ARG A 103 13.708 10.955 -1.837 1.00 0.00 N ATOM 0 H ARG A 103 9.838 5.869 0.061 1.00 0.00 H new ATOM 0 HA ARG A 103 11.381 4.534 2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.353 5.167 0.795 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.094 4.580 -0.274 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.021 6.301 -1.511 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.627 7.084 -0.793 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.050 8.171 0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.459 7.300 0.327 1.00 0.00 H new ATOM 0 HE ARG A 103 14.269 8.545 -1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.542 9.904 0.969 1.00 0.00 H new ATOM 0 HH12 ARG A 103 12.506 11.530 0.279 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.206 10.628 -2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.439 11.936 -1.758 1.00 0.00 H new ATOM 1616 N ALA A 104 11.103 7.735 2.514 1.00 0.00 N ATOM 1617 CA ALA A 104 11.289 8.829 3.470 1.00 0.00 C ATOM 1618 C ALA A 104 10.640 8.484 4.825 1.00 0.00 C ATOM 1619 O ALA A 104 11.248 8.671 5.880 1.00 0.00 O ATOM 1620 CB ALA A 104 10.695 10.112 2.895 1.00 0.00 C ATOM 0 H ALA A 104 10.432 7.951 1.777 1.00 0.00 H new ATOM 0 HA ALA A 104 12.355 8.977 3.641 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.833 10.927 3.606 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.197 10.358 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.631 9.969 2.709 1.00 0.00 H new ATOM 1626 N LYS A 105 9.381 8.009 4.774 1.00 0.00 N ATOM 1627 CA LYS A 105 8.633 7.520 5.956 1.00 0.00 C ATOM 1628 C LYS A 105 9.359 6.352 6.667 1.00 0.00 C ATOM 1629 O LYS A 105 9.292 6.225 7.890 1.00 0.00 O ATOM 1630 CB LYS A 105 7.206 7.088 5.499 1.00 0.00 C ATOM 1631 CG LYS A 105 6.172 6.867 6.649 1.00 0.00 C ATOM 1632 CD LYS A 105 5.053 7.936 6.696 1.00 0.00 C ATOM 1633 CE LYS A 105 5.586 9.367 6.865 1.00 0.00 C ATOM 1634 NZ LYS A 105 4.486 10.379 6.881 1.00 0.00 N ATOM 0 H LYS A 105 8.847 7.952 3.907 1.00 0.00 H new ATOM 0 HA LYS A 105 8.565 8.329 6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.814 7.847 4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.290 6.164 4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.717 5.883 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.699 6.864 7.603 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.468 7.880 5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.377 7.708 7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.154 9.435 7.793 1.00 0.00 H new ATOM 0 HE3 LYS A 105 6.276 9.595 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.891 11.330 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.959 10.334 5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.841 10.179 7.672 1.00 0.00 H new ATOM 1648 N LEU A 106 10.029 5.499 5.871 1.00 0.00 N ATOM 1649 CA LEU A 106 10.863 4.389 6.384 1.00 0.00 C ATOM 1650 C LEU A 106 12.079 4.879 7.194 1.00 0.00 C ATOM 1651 O LEU A 106 12.618 4.124 8.001 1.00 0.00 O ATOM 1652 CB LEU A 106 11.327 3.446 5.230 1.00 0.00 C ATOM 1653 CG LEU A 106 10.373 2.272 4.851 1.00 0.00 C ATOM 1654 CD1 LEU A 106 10.119 1.340 6.053 1.00 0.00 C ATOM 1655 CD2 LEU A 106 9.070 2.779 4.243 1.00 0.00 C ATOM 0 H LEU A 106 10.009 5.557 4.853 1.00 0.00 H new ATOM 0 HA LEU A 106 10.227 3.825 7.066 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.488 4.054 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.293 3.023 5.506 1.00 0.00 H new ATOM 0 HG LEU A 106 10.874 1.681 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.450 0.533 5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.065 0.919 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.662 1.908 6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.432 1.932 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.558 3.419 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.288 3.349 3.340 1.00 0.00 H new ATOM 1667 N HIS A 107 12.509 6.131 6.965 1.00 0.00 N ATOM 1668 CA HIS A 107 13.569 6.766 7.784 1.00 0.00 C ATOM 1669 C HIS A 107 13.016 7.130 9.189 1.00 0.00 C ATOM 1670 O HIS A 107 13.795 7.380 10.114 1.00 0.00 O ATOM 1671 CB HIS A 107 14.139 8.009 7.056 1.00 0.00 C ATOM 1672 CG HIS A 107 15.240 8.718 7.797 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.496 8.179 7.967 1.00 0.00 N ATOM 1674 CD2 HIS A 107 15.255 9.897 8.468 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.225 8.985 8.703 1.00 0.00 C ATOM 1676 NE2 HIS A 107 16.501 10.038 9.025 1.00 0.00 N ATOM 0 H HIS A 107 12.143 6.727 6.222 1.00 0.00 H new ATOM 0 HA HIS A 107 14.387 6.058 7.921 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.515 7.702 6.080 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.327 8.714 6.877 1.00 0.00 H new ATOM 0 HD2 HIS A 107 14.436 10.597 8.549 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.250 8.813 8.997 1.00 0.00 H new ATOM 0 HE2 HIS A 107 16.814 10.825 9.593 1.00 0.00 H new ATOM 1685 N ALA A 108 11.664 7.174 9.293 1.00 0.00 N ATOM 1686 CA ALA A 108 10.880 7.438 10.530 1.00 0.00 C ATOM 1687 C ALA A 108 10.727 8.947 10.802 1.00 0.00 C ATOM 1688 O ALA A 108 10.259 9.355 11.869 1.00 0.00 O ATOM 1689 CB ALA A 108 11.421 6.671 11.757 1.00 0.00 C ATOM 0 H ALA A 108 11.063 7.020 8.483 1.00 0.00 H new ATOM 0 HA ALA A 108 9.879 7.045 10.350 1.00 0.00 H new ATOM 0 HB1 ALA A 108 10.810 6.903 12.629 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.383 5.599 11.562 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.452 6.969 11.947 1.00 0.00 H new ATOM 1727 N GLY A 111 10.798 12.944 5.069 1.00 0.00 N ATOM 1728 CA GLY A 111 11.645 13.533 4.023 1.00 0.00 C ATOM 1729 C GLY A 111 10.884 13.632 2.708 1.00 0.00 C ATOM 1730 O GLY A 111 11.334 13.118 1.674 1.00 0.00 O ATOM 0 HA2 GLY A 111 11.977 14.524 4.332 1.00 0.00 H new ATOM 0 HA3 GLY A 111 12.539 12.925 3.887 1.00 0.00 H new ATOM 1734 N GLU A 112 9.717 14.297 2.775 1.00 0.00 N ATOM 1735 CA GLU A 112 8.727 14.353 1.683 1.00 0.00 C ATOM 1736 C GLU A 112 9.293 15.076 0.439 1.00 0.00 C ATOM 1737 O GLU A 112 10.107 16.001 0.582 1.00 0.00 O ATOM 1738 CB GLU A 112 7.449 15.086 2.179 1.00 0.00 C ATOM 1739 CG GLU A 112 6.821 14.483 3.453 1.00 0.00 C ATOM 1740 CD GLU A 112 5.597 15.266 3.959 1.00 0.00 C ATOM 1741 OE1 GLU A 112 5.770 16.237 4.719 1.00 0.00 O ATOM 1742 OE2 GLU A 112 4.454 14.906 3.609 1.00 0.00 O ATOM 0 H GLU A 112 9.430 14.819 3.603 1.00 0.00 H new ATOM 0 HA GLU A 112 8.483 13.331 1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 112 7.695 16.131 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 112 6.706 15.074 1.382 1.00 0.00 H new ATOM 0 HG2 GLU A 112 6.527 13.453 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 112 7.574 14.451 4.241 1.00 0.00 H new ATOM 1749 N PRO A 113 8.897 14.653 -0.801 1.00 0.00 N ATOM 1750 CA PRO A 113 9.281 15.369 -2.043 1.00 0.00 C ATOM 1751 C PRO A 113 8.467 16.656 -2.258 1.00 0.00 C ATOM 1752 O PRO A 113 7.611 17.020 -1.441 1.00 0.00 O ATOM 1753 CB PRO A 113 8.970 14.328 -3.144 1.00 0.00 C ATOM 1754 CG PRO A 113 7.817 13.543 -2.597 1.00 0.00 C ATOM 1755 CD PRO A 113 8.072 13.438 -1.106 1.00 0.00 C ATOM 0 HA PRO A 113 10.318 15.703 -2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 113 8.711 14.811 -4.086 1.00 0.00 H new ATOM 0 HB3 PRO A 113 9.830 13.687 -3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 113 6.870 14.043 -2.799 1.00 0.00 H new ATOM 0 HG3 PRO A 113 7.761 12.556 -3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 113 7.141 13.434 -0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 113 8.603 12.520 -0.854 1.00 0.00 H new ATOM 1763 N VAL A 114 8.757 17.336 -3.368 1.00 0.00 N ATOM 1764 CA VAL A 114 7.964 18.463 -3.854 1.00 0.00 C ATOM 1765 C VAL A 114 7.621 18.207 -5.332 1.00 0.00 C ATOM 1766 O VAL A 114 8.507 18.062 -6.181 1.00 0.00 O ATOM 1767 CB VAL A 114 8.686 19.852 -3.641 1.00 0.00 C ATOM 1768 CG1 VAL A 114 10.083 19.914 -4.307 1.00 0.00 C ATOM 1769 CG2 VAL A 114 7.791 21.024 -4.115 1.00 0.00 C ATOM 0 H VAL A 114 9.558 17.116 -3.960 1.00 0.00 H new ATOM 0 HA VAL A 114 7.046 18.532 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 114 8.850 19.954 -2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.529 20.892 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.723 19.140 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.982 19.754 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 114 8.313 21.968 -3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 114 7.568 20.906 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 114 6.861 21.024 -3.547 1.00 0.00 H new ATOM 1779 N ASP A 115 6.321 18.085 -5.609 1.00 0.00 N ATOM 1780 CA ASP A 115 5.789 17.817 -6.957 1.00 0.00 C ATOM 1781 C ASP A 115 4.747 18.883 -7.306 1.00 0.00 C ATOM 1782 O ASP A 115 3.669 18.582 -7.846 1.00 0.00 O ATOM 1783 CB ASP A 115 5.202 16.372 -7.021 1.00 0.00 C ATOM 1784 CG ASP A 115 6.295 15.291 -7.096 1.00 0.00 C ATOM 1785 OD1 ASP A 115 6.806 14.850 -6.044 1.00 0.00 O ATOM 1786 OD2 ASP A 115 6.666 14.895 -8.214 1.00 0.00 O ATOM 0 H ASP A 115 5.595 18.170 -4.898 1.00 0.00 H new ATOM 0 HA ASP A 115 6.587 17.872 -7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.582 16.196 -6.142 1.00 0.00 H new ATOM 0 HB3 ASP A 115 4.551 16.286 -7.891 1.00 0.00 H new ATOM 1791 N LEU A 116 5.105 20.150 -7.019 1.00 0.00 N ATOM 1792 CA LEU A 116 4.254 21.308 -7.328 1.00 0.00 C ATOM 1793 C LEU A 116 4.127 21.478 -8.853 1.00 0.00 C ATOM 1794 O LEU A 116 3.055 21.819 -9.358 1.00 0.00 O ATOM 1795 CB LEU A 116 4.778 22.604 -6.602 1.00 0.00 C ATOM 1796 CG LEU A 116 6.160 23.249 -7.034 1.00 0.00 C ATOM 1797 CD1 LEU A 116 6.050 24.130 -8.305 1.00 0.00 C ATOM 1798 CD2 LEU A 116 6.775 24.076 -5.875 1.00 0.00 C ATOM 0 H LEU A 116 5.987 20.395 -6.569 1.00 0.00 H new ATOM 0 HA LEU A 116 3.250 21.132 -6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 116 4.012 23.371 -6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.845 22.375 -5.538 1.00 0.00 H new ATOM 0 HG LEU A 116 6.817 22.413 -7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 116 7.029 24.542 -8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.694 23.524 -9.138 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.349 24.944 -8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 116 7.722 24.507 -6.198 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.089 24.876 -5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.946 23.427 -5.016 1.00 0.00 H new ATOM 1810 N GLU A 117 5.237 21.187 -9.578 1.00 0.00 N ATOM 1811 CA GLU A 117 5.298 21.283 -11.046 1.00 0.00 C ATOM 1812 C GLU A 117 4.535 20.123 -11.713 1.00 0.00 C ATOM 1813 O GLU A 117 4.143 20.232 -12.875 1.00 0.00 O ATOM 1814 CB GLU A 117 6.775 21.309 -11.534 1.00 0.00 C ATOM 1815 CG GLU A 117 7.562 19.989 -11.324 1.00 0.00 C ATOM 1816 CD GLU A 117 8.996 20.046 -11.879 1.00 0.00 C ATOM 1817 OE1 GLU A 117 9.189 19.788 -13.091 1.00 0.00 O ATOM 1818 OE2 GLU A 117 9.937 20.363 -11.114 1.00 0.00 O ATOM 0 H GLU A 117 6.112 20.879 -9.154 1.00 0.00 H new ATOM 0 HA GLU A 117 4.817 22.217 -11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.786 21.555 -12.596 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.298 22.112 -11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.600 19.761 -10.259 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.025 19.172 -11.806 1.00 0.00 H new ATOM 1825 N ARG A 118 4.309 19.028 -10.953 1.00 0.00 N ATOM 1826 CA ARG A 118 3.663 17.807 -11.473 1.00 0.00 C ATOM 1827 C ARG A 118 2.161 18.038 -11.727 1.00 0.00 C ATOM 1828 O ARG A 118 1.556 17.405 -12.597 1.00 0.00 O ATOM 1829 CB ARG A 118 3.889 16.621 -10.505 1.00 0.00 C ATOM 1830 CG ARG A 118 3.632 15.232 -11.127 1.00 0.00 C ATOM 1831 CD ARG A 118 4.072 14.071 -10.212 1.00 0.00 C ATOM 1832 NE ARG A 118 4.506 12.921 -11.010 1.00 0.00 N ATOM 1833 CZ ARG A 118 5.613 12.197 -10.808 1.00 0.00 C ATOM 1834 NH1 ARG A 118 6.414 12.444 -9.778 1.00 0.00 N ATOM 1835 NH2 ARG A 118 5.912 11.237 -11.659 1.00 0.00 N ATOM 0 H ARG A 118 4.568 18.968 -9.968 1.00 0.00 H new ATOM 0 HA ARG A 118 4.123 17.559 -12.429 1.00 0.00 H new ATOM 0 HB2 ARG A 118 4.915 16.657 -10.139 1.00 0.00 H new ATOM 0 HB3 ARG A 118 3.237 16.745 -9.640 1.00 0.00 H new ATOM 0 HG2 ARG A 118 2.570 15.130 -11.348 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.164 15.161 -12.076 1.00 0.00 H new ATOM 0 HD2 ARG A 118 4.885 14.399 -9.565 1.00 0.00 H new ATOM 0 HD3 ARG A 118 3.246 13.779 -9.563 1.00 0.00 H new ATOM 0 HE ARG A 118 3.910 12.647 -11.791 1.00 0.00 H new ATOM 0 HH11 ARG A 118 6.189 13.195 -9.126 1.00 0.00 H new ATOM 0 HH12 ARG A 118 7.254 11.882 -9.639 1.00 0.00 H new ATOM 0 HH21 ARG A 118 5.303 11.055 -12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 118 6.752 10.676 -11.520 1.00 0.00 H new ATOM 1849 N ILE A 119 1.583 18.965 -10.955 1.00 0.00 N ATOM 1850 CA ILE A 119 0.199 19.424 -11.140 1.00 0.00 C ATOM 1851 C ILE A 119 0.143 20.431 -12.318 1.00 0.00 C ATOM 1852 O ILE A 119 -0.843 20.497 -13.058 1.00 0.00 O ATOM 1853 CB ILE A 119 -0.348 20.090 -9.813 1.00 0.00 C ATOM 1854 CG1 ILE A 119 -0.085 19.174 -8.561 1.00 0.00 C ATOM 1855 CG2 ILE A 119 -1.856 20.432 -9.934 1.00 0.00 C ATOM 1856 CD1 ILE A 119 -0.734 17.791 -8.621 1.00 0.00 C ATOM 0 H ILE A 119 2.064 19.421 -10.180 1.00 0.00 H new ATOM 0 HA ILE A 119 -0.434 18.567 -11.372 1.00 0.00 H new ATOM 0 HB ILE A 119 0.199 21.022 -9.669 1.00 0.00 H new ATOM 0 HG12 ILE A 119 0.991 19.048 -8.442 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -0.446 19.689 -7.671 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -2.201 20.888 -9.006 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -2.006 21.129 -10.759 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -2.422 19.520 -10.122 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.494 17.237 -7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.815 17.900 -8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.356 17.249 -9.488 1.00 0.00 H new ATOM 1868 N ILE A 120 1.250 21.176 -12.492 1.00 0.00 N ATOM 1869 CA ILE A 120 1.389 22.232 -13.520 1.00 0.00 C ATOM 1870 C ILE A 120 1.620 21.634 -14.934 1.00 0.00 C ATOM 1871 O ILE A 120 1.377 22.326 -15.933 1.00 0.00 O ATOM 1872 CB ILE A 120 2.562 23.218 -13.114 1.00 0.00 C ATOM 1873 CG1 ILE A 120 2.268 23.870 -11.723 1.00 0.00 C ATOM 1874 CG2 ILE A 120 2.850 24.312 -14.175 1.00 0.00 C ATOM 1875 CD1 ILE A 120 0.992 24.704 -11.648 1.00 0.00 C ATOM 0 H ILE A 120 2.085 21.063 -11.917 1.00 0.00 H new ATOM 0 HA ILE A 120 0.455 22.792 -13.567 1.00 0.00 H new ATOM 0 HB ILE A 120 3.464 22.610 -13.052 1.00 0.00 H new ATOM 0 HG12 ILE A 120 2.210 23.079 -10.975 1.00 0.00 H new ATOM 0 HG13 ILE A 120 3.113 24.504 -11.452 1.00 0.00 H new ATOM 0 HG21 ILE A 120 3.664 24.949 -13.829 1.00 0.00 H new ATOM 0 HG22 ILE A 120 3.133 23.841 -15.116 1.00 0.00 H new ATOM 0 HG23 ILE A 120 1.956 24.916 -14.327 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.882 25.110 -10.643 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.049 25.522 -12.366 1.00 0.00 H new ATOM 0 HD13 ILE A 120 0.132 24.076 -11.882 1.00 0.00 H new ATOM 1887 N ARG A 121 2.040 20.342 -15.001 1.00 0.00 N ATOM 1888 CA ARG A 121 2.356 19.640 -16.278 1.00 0.00 C ATOM 1889 C ARG A 121 1.206 19.765 -17.298 1.00 0.00 C ATOM 1890 O ARG A 121 0.150 19.131 -17.151 1.00 0.00 O ATOM 1891 CB ARG A 121 2.665 18.134 -16.040 1.00 0.00 C ATOM 1892 CG ARG A 121 3.815 17.849 -15.064 1.00 0.00 C ATOM 1893 CD ARG A 121 5.170 18.417 -15.518 1.00 0.00 C ATOM 1894 NE ARG A 121 5.729 17.698 -16.673 1.00 0.00 N ATOM 1895 CZ ARG A 121 7.002 17.799 -17.092 1.00 0.00 C ATOM 1896 NH1 ARG A 121 7.834 18.688 -16.548 1.00 0.00 N ATOM 1897 NH2 ARG A 121 7.419 17.035 -18.080 1.00 0.00 N ATOM 0 H ARG A 121 2.169 19.758 -14.175 1.00 0.00 H new ATOM 0 HA ARG A 121 3.243 20.126 -16.685 1.00 0.00 H new ATOM 0 HB2 ARG A 121 1.763 17.649 -15.665 1.00 0.00 H new ATOM 0 HB3 ARG A 121 2.900 17.672 -16.999 1.00 0.00 H new ATOM 0 HG2 ARG A 121 3.564 18.268 -14.089 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.909 16.771 -14.933 1.00 0.00 H new ATOM 0 HD2 ARG A 121 5.051 19.470 -15.774 1.00 0.00 H new ATOM 0 HD3 ARG A 121 5.876 18.369 -14.689 1.00 0.00 H new ATOM 0 HE ARG A 121 5.107 17.079 -17.193 1.00 0.00 H new ATOM 0 HH11 ARG A 121 7.507 19.303 -15.803 1.00 0.00 H new ATOM 0 HH12 ARG A 121 8.797 18.753 -16.877 1.00 0.00 H new ATOM 0 HH21 ARG A 121 6.778 16.375 -18.520 1.00 0.00 H new ATOM 0 HH22 ARG A 121 8.383 17.104 -18.406 1.00 0.00 H new