USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 GLN : amide:sc= 0.172 K(o=0.78,f=-4.6!) USER MOD Set 1.3: A 68 HIS : no HE2:sc= 0.618 K(o=0.78,f=-5.4!) USER MOD Set 1.4: A 70 HIS : no HE2:sc=-0.00615 K(o=0.78,f=-1.5) USER MOD Set 2.1: A 30 HIS : no HE2:sc= -0.5 K(o=-0.13,f=-1.6!) USER MOD Set 2.2: A 60 THR OG1 : rot 52:sc= 0.366 USER MOD Single : A 1 MET CE :methyl -158:sc= -0.189 (180deg=-0.974) USER MOD Single : A 1 MET N :NH3+ -112:sc= 2.16 (180deg=0.249) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.63) USER MOD Single : A 9 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0419 K(o=-0.042,f=0.86) USER MOD Single : A 14 SER OG : rot 48:sc= 0.133 USER MOD Single : A 16 SER OG : rot 180:sc= -0.253 USER MOD Single : A 21 MET CE :methyl -122:sc= -0.0843 (180deg=-1.91) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.84 USER MOD Single : A 26 CYS SG : rot 31:sc= -2.11! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0164 USER MOD Single : A 36 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0104 USER MOD Single : A 44 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0108) USER MOD Single : A 48 THR OG1 : rot 62:sc= 1.24 USER MOD Single : A 51 THR OG1 : rot 93:sc= 0.27 USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.222 X(o=-0.22,f=0.042) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.633 10.293 -0.491 1.00 0.00 N ATOM 2 CA MET A 1 7.016 9.545 -1.699 1.00 0.00 C ATOM 3 C MET A 1 5.811 9.405 -2.650 1.00 0.00 C ATOM 4 O MET A 1 4.698 9.075 -2.222 1.00 0.00 O ATOM 5 CB MET A 1 7.585 8.149 -1.325 1.00 0.00 C ATOM 6 CG MET A 1 6.656 7.256 -0.478 1.00 0.00 C ATOM 7 SD MET A 1 6.463 7.842 1.220 1.00 0.00 S ATOM 8 CE MET A 1 8.146 7.664 1.817 1.00 0.00 C ATOM 0 H1 MET A 1 7.116 11.214 -0.485 1.00 0.00 H new ATOM 0 H2 MET A 1 5.604 10.442 -0.487 1.00 0.00 H new ATOM 0 H3 MET A 1 6.908 9.752 0.354 1.00 0.00 H new ATOM 0 HA MET A 1 7.798 10.102 -2.214 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.830 7.618 -2.245 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.519 8.291 -0.780 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.676 7.208 -0.953 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.053 6.241 -0.463 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.141 7.600 2.905 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.585 6.757 1.402 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.735 8.527 1.507 1.00 0.00 H new ATOM 20 N LEU A 2 6.049 9.671 -3.937 1.00 0.00 N ATOM 21 CA LEU A 2 5.049 9.517 -4.998 1.00 0.00 C ATOM 22 C LEU A 2 5.094 8.049 -5.457 1.00 0.00 C ATOM 23 O LEU A 2 6.117 7.583 -5.968 1.00 0.00 O ATOM 24 CB LEU A 2 5.356 10.533 -6.142 1.00 0.00 C ATOM 25 CG LEU A 2 4.252 10.738 -7.247 1.00 0.00 C ATOM 26 CD1 LEU A 2 4.363 12.131 -7.898 1.00 0.00 C ATOM 27 CD2 LEU A 2 4.314 9.641 -8.338 1.00 0.00 C ATOM 0 H LEU A 2 6.952 10.003 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 2 4.038 9.737 -4.655 1.00 0.00 H new ATOM 0 HB2 LEU A 2 5.560 11.502 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 2 6.273 10.215 -6.638 1.00 0.00 H new ATOM 0 HG LEU A 2 3.289 10.661 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.588 12.241 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.237 12.900 -7.136 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.343 12.238 -8.363 1.00 0.00 H new ATOM 0 HD21 LEU A 2 3.536 9.821 -9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.290 9.665 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 2 4.160 8.664 -7.880 1.00 0.00 H new ATOM 39 N VAL A 3 3.994 7.324 -5.216 1.00 0.00 N ATOM 40 CA VAL A 3 3.897 5.857 -5.427 1.00 0.00 C ATOM 41 C VAL A 3 2.609 5.505 -6.187 1.00 0.00 C ATOM 42 O VAL A 3 1.560 6.085 -5.913 1.00 0.00 O ATOM 43 CB VAL A 3 3.924 5.083 -4.042 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.328 5.100 -3.418 1.00 0.00 C ATOM 45 CG2 VAL A 3 2.896 5.670 -3.040 1.00 0.00 C ATOM 0 H VAL A 3 3.130 7.737 -4.864 1.00 0.00 H new ATOM 0 HA VAL A 3 4.758 5.548 -6.020 1.00 0.00 H new ATOM 0 HB VAL A 3 3.649 4.050 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.312 4.561 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.033 4.620 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 3 5.636 6.131 -3.244 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.943 5.115 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.128 6.718 -2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.893 5.590 -3.459 1.00 0.00 H new ATOM 55 N THR A 4 2.695 4.553 -7.138 1.00 0.00 N ATOM 56 CA THR A 4 1.531 4.068 -7.893 1.00 0.00 C ATOM 57 C THR A 4 0.588 3.292 -6.945 1.00 0.00 C ATOM 58 O THR A 4 0.854 2.139 -6.601 1.00 0.00 O ATOM 59 CB THR A 4 1.982 3.156 -9.088 1.00 0.00 C ATOM 60 OG1 THR A 4 2.879 3.884 -9.940 1.00 0.00 O ATOM 61 CG2 THR A 4 0.800 2.663 -9.930 1.00 0.00 C ATOM 0 H THR A 4 3.572 4.103 -7.401 1.00 0.00 H new ATOM 0 HA THR A 4 0.998 4.923 -8.308 1.00 0.00 H new ATOM 0 HB THR A 4 2.474 2.285 -8.655 1.00 0.00 H new ATOM 0 HG1 THR A 4 3.160 3.312 -10.684 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.168 2.037 -10.743 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.123 2.083 -9.303 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.267 3.518 -10.344 1.00 0.00 H new ATOM 69 N ILE A 5 -0.492 3.960 -6.498 1.00 0.00 N ATOM 70 CA ILE A 5 -1.500 3.367 -5.596 1.00 0.00 C ATOM 71 C ILE A 5 -2.763 3.025 -6.400 1.00 0.00 C ATOM 72 O ILE A 5 -3.522 3.927 -6.773 1.00 0.00 O ATOM 73 CB ILE A 5 -1.839 4.314 -4.379 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.578 4.506 -3.487 1.00 0.00 C ATOM 75 CG2 ILE A 5 -3.039 3.786 -3.544 1.00 0.00 C ATOM 76 CD1 ILE A 5 -0.777 5.366 -2.246 1.00 0.00 C ATOM 0 H ILE A 5 -0.691 4.928 -6.752 1.00 0.00 H new ATOM 0 HA ILE A 5 -1.084 2.454 -5.170 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.139 5.282 -4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.223 3.524 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.210 4.952 -4.094 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.236 4.469 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.923 3.720 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.801 2.798 -3.149 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.162 5.435 -1.697 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.098 6.365 -2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.538 4.915 -1.609 1.00 0.00 H new ATOM 88 N ASN A 6 -2.950 1.710 -6.678 1.00 0.00 N ATOM 89 CA ASN A 6 -4.108 1.173 -7.436 1.00 0.00 C ATOM 90 C ASN A 6 -4.116 1.743 -8.884 1.00 0.00 C ATOM 91 O ASN A 6 -5.154 1.900 -9.524 1.00 0.00 O ATOM 92 CB ASN A 6 -5.440 1.427 -6.628 1.00 0.00 C ATOM 93 CG ASN A 6 -6.719 0.912 -7.310 1.00 0.00 C ATOM 94 OD1 ASN A 6 -7.444 1.663 -7.963 1.00 0.00 O ATOM 95 ND2 ASN A 6 -6.995 -0.372 -7.188 1.00 0.00 N ATOM 0 H ASN A 6 -2.296 0.987 -6.380 1.00 0.00 H new ATOM 0 HA ASN A 6 -4.024 0.092 -7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.351 0.953 -5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -5.544 2.498 -6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.823 -0.761 -7.639 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.381 -0.976 -6.642 1.00 0.00 H new ATOM 102 N GLY A 7 -2.910 2.010 -9.418 1.00 0.00 N ATOM 103 CA GLY A 7 -2.759 2.593 -10.760 1.00 0.00 C ATOM 104 C GLY A 7 -2.798 4.112 -10.766 1.00 0.00 C ATOM 105 O GLY A 7 -2.558 4.735 -11.806 1.00 0.00 O ATOM 0 H GLY A 7 -2.027 1.831 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.814 2.260 -11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.553 2.214 -11.404 1.00 0.00 H new ATOM 109 N GLU A 8 -3.095 4.702 -9.602 1.00 0.00 N ATOM 110 CA GLU A 8 -3.192 6.150 -9.431 1.00 0.00 C ATOM 111 C GLU A 8 -1.958 6.628 -8.661 1.00 0.00 C ATOM 112 O GLU A 8 -1.850 6.376 -7.456 1.00 0.00 O ATOM 113 CB GLU A 8 -4.492 6.517 -8.657 1.00 0.00 C ATOM 114 CG GLU A 8 -5.788 5.922 -9.249 1.00 0.00 C ATOM 115 CD GLU A 8 -6.051 6.340 -10.709 1.00 0.00 C ATOM 116 OE1 GLU A 8 -6.365 7.525 -10.956 1.00 0.00 O ATOM 117 OE2 GLU A 8 -5.941 5.489 -11.619 1.00 0.00 O ATOM 0 H GLU A 8 -3.276 4.179 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.233 6.638 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.392 6.179 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.587 7.602 -8.629 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.736 4.835 -9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.633 6.231 -8.634 1.00 0.00 H new ATOM 124 N GLN A 9 -1.011 7.277 -9.361 1.00 0.00 N ATOM 125 CA GLN A 9 0.219 7.804 -8.735 1.00 0.00 C ATOM 126 C GLN A 9 -0.156 8.846 -7.674 1.00 0.00 C ATOM 127 O GLN A 9 -0.592 9.948 -8.004 1.00 0.00 O ATOM 128 CB GLN A 9 1.167 8.425 -9.783 1.00 0.00 C ATOM 129 CG GLN A 9 1.863 7.411 -10.707 1.00 0.00 C ATOM 130 CD GLN A 9 2.870 8.042 -11.684 1.00 0.00 C ATOM 131 OE1 GLN A 9 3.882 7.433 -12.016 1.00 0.00 O ATOM 132 NE2 GLN A 9 2.589 9.243 -12.178 1.00 0.00 N ATOM 0 H GLN A 9 -1.073 7.451 -10.364 1.00 0.00 H new ATOM 0 HA GLN A 9 0.748 6.975 -8.265 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.599 9.124 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.930 9.005 -9.263 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.381 6.673 -10.095 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.105 6.876 -11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.741 9.729 -11.886 1.00 0.00 H new ATOM 0 HE22 GLN A 9 3.221 9.679 -12.849 1.00 0.00 H new ATOM 141 N ARG A 10 -0.001 8.457 -6.414 1.00 0.00 N ATOM 142 CA ARG A 10 -0.501 9.189 -5.261 1.00 0.00 C ATOM 143 C ARG A 10 0.713 9.585 -4.395 1.00 0.00 C ATOM 144 O ARG A 10 1.480 8.718 -3.971 1.00 0.00 O ATOM 145 CB ARG A 10 -1.512 8.272 -4.482 1.00 0.00 C ATOM 146 CG ARG A 10 -2.647 8.997 -3.723 1.00 0.00 C ATOM 147 CD ARG A 10 -2.153 9.937 -2.612 1.00 0.00 C ATOM 148 NE ARG A 10 -3.268 10.620 -1.950 1.00 0.00 N ATOM 149 CZ ARG A 10 -3.162 11.391 -0.862 1.00 0.00 C ATOM 150 NH1 ARG A 10 -1.987 11.607 -0.284 1.00 0.00 N ATOM 151 NH2 ARG A 10 -4.243 11.937 -0.348 1.00 0.00 N ATOM 0 H ARG A 10 0.490 7.599 -6.161 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.033 10.095 -5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.963 7.579 -5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -0.949 7.673 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.238 9.572 -4.436 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.312 8.252 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.587 9.366 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.472 10.676 -3.035 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.198 10.498 -2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.143 11.182 -0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.927 12.198 0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.152 11.771 -0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.172 12.526 0.481 1.00 0.00 H new ATOM 165 N GLU A 11 0.876 10.898 -4.175 1.00 0.00 N ATOM 166 CA GLU A 11 1.940 11.462 -3.336 1.00 0.00 C ATOM 167 C GLU A 11 1.516 11.369 -1.856 1.00 0.00 C ATOM 168 O GLU A 11 0.543 12.009 -1.439 1.00 0.00 O ATOM 169 CB GLU A 11 2.201 12.935 -3.771 1.00 0.00 C ATOM 170 CG GLU A 11 3.221 13.718 -2.923 1.00 0.00 C ATOM 171 CD GLU A 11 4.602 13.045 -2.841 1.00 0.00 C ATOM 172 OE1 GLU A 11 5.378 13.144 -3.810 1.00 0.00 O ATOM 173 OE2 GLU A 11 4.923 12.428 -1.801 1.00 0.00 O ATOM 0 H GLU A 11 0.264 11.606 -4.581 1.00 0.00 H new ATOM 0 HA GLU A 11 2.868 10.903 -3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.544 12.932 -4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.253 13.472 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.338 14.717 -3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.825 13.839 -1.915 1.00 0.00 H new ATOM 180 N VAL A 12 2.231 10.530 -1.091 1.00 0.00 N ATOM 181 CA VAL A 12 1.960 10.259 0.344 1.00 0.00 C ATOM 182 C VAL A 12 3.224 10.534 1.175 1.00 0.00 C ATOM 183 O VAL A 12 4.298 10.710 0.615 1.00 0.00 O ATOM 184 CB VAL A 12 1.504 8.765 0.568 1.00 0.00 C ATOM 185 CG1 VAL A 12 0.205 8.457 -0.201 1.00 0.00 C ATOM 186 CG2 VAL A 12 2.625 7.757 0.191 1.00 0.00 C ATOM 0 H VAL A 12 3.030 10.008 -1.451 1.00 0.00 H new ATOM 0 HA VAL A 12 1.153 10.919 0.664 1.00 0.00 H new ATOM 0 HB VAL A 12 1.303 8.647 1.633 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.084 7.420 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.589 9.118 0.146 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.367 8.614 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.271 6.740 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.887 7.881 -0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.504 7.943 0.808 1.00 0.00 H new ATOM 196 N GLN A 13 3.091 10.544 2.519 1.00 0.00 N ATOM 197 CA GLN A 13 4.244 10.700 3.459 1.00 0.00 C ATOM 198 C GLN A 13 4.224 9.597 4.542 1.00 0.00 C ATOM 199 O GLN A 13 4.891 9.714 5.582 1.00 0.00 O ATOM 200 CB GLN A 13 4.250 12.122 4.103 1.00 0.00 C ATOM 201 CG GLN A 13 4.551 13.278 3.124 1.00 0.00 C ATOM 202 CD GLN A 13 5.961 13.218 2.514 1.00 0.00 C ATOM 203 OE1 GLN A 13 6.175 12.636 1.448 1.00 0.00 O ATOM 204 NE2 GLN A 13 6.931 13.817 3.184 1.00 0.00 N ATOM 0 H GLN A 13 2.191 10.445 2.990 1.00 0.00 H new ATOM 0 HA GLN A 13 5.165 10.590 2.887 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.279 12.300 4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.991 12.140 4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.816 13.262 2.320 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.431 14.227 3.647 1.00 0.00 H new ATOM 0 HE21 GLN A 13 6.726 14.291 4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.884 13.805 2.821 1.00 0.00 H new ATOM 213 N SER A 14 3.472 8.518 4.281 1.00 0.00 N ATOM 214 CA SER A 14 3.434 7.333 5.146 1.00 0.00 C ATOM 215 C SER A 14 4.428 6.291 4.622 1.00 0.00 C ATOM 216 O SER A 14 4.218 5.710 3.556 1.00 0.00 O ATOM 217 CB SER A 14 1.997 6.775 5.202 1.00 0.00 C ATOM 218 OG SER A 14 1.446 6.664 3.902 1.00 0.00 O ATOM 0 H SER A 14 2.871 8.444 3.460 1.00 0.00 H new ATOM 0 HA SER A 14 3.726 7.599 6.162 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.001 5.797 5.684 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.373 7.428 5.811 1.00 0.00 H new ATOM 0 HG SER A 14 2.093 6.227 3.309 1.00 0.00 H new ATOM 224 N ALA A 15 5.528 6.109 5.366 1.00 0.00 N ATOM 225 CA ALA A 15 6.585 5.118 5.048 1.00 0.00 C ATOM 226 C ALA A 15 6.223 3.705 5.549 1.00 0.00 C ATOM 227 O ALA A 15 6.998 2.765 5.370 1.00 0.00 O ATOM 228 CB ALA A 15 7.935 5.572 5.617 1.00 0.00 C ATOM 0 H ALA A 15 5.718 6.645 6.213 1.00 0.00 H new ATOM 0 HA ALA A 15 6.665 5.061 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.699 4.833 5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.209 6.533 5.182 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.858 5.673 6.700 1.00 0.00 H new ATOM 234 N SER A 16 5.052 3.580 6.184 1.00 0.00 N ATOM 235 CA SER A 16 4.471 2.292 6.602 1.00 0.00 C ATOM 236 C SER A 16 3.242 2.000 5.741 1.00 0.00 C ATOM 237 O SER A 16 2.436 2.900 5.502 1.00 0.00 O ATOM 238 CB SER A 16 4.082 2.335 8.104 1.00 0.00 C ATOM 239 OG SER A 16 3.442 1.137 8.519 1.00 0.00 O ATOM 0 H SER A 16 4.470 4.381 6.427 1.00 0.00 H new ATOM 0 HA SER A 16 5.207 1.500 6.467 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.976 2.497 8.706 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.419 3.182 8.284 1.00 0.00 H new ATOM 0 HG SER A 16 3.214 1.201 9.470 1.00 0.00 H new ATOM 245 N VAL A 17 3.121 0.744 5.266 1.00 0.00 N ATOM 246 CA VAL A 17 1.958 0.287 4.475 1.00 0.00 C ATOM 247 C VAL A 17 0.688 0.231 5.362 1.00 0.00 C ATOM 248 O VAL A 17 -0.433 0.390 4.864 1.00 0.00 O ATOM 249 CB VAL A 17 2.251 -1.103 3.780 1.00 0.00 C ATOM 250 CG1 VAL A 17 1.018 -1.657 3.033 1.00 0.00 C ATOM 251 CG2 VAL A 17 3.451 -0.979 2.811 1.00 0.00 C ATOM 0 H VAL A 17 3.823 0.020 5.418 1.00 0.00 H new ATOM 0 HA VAL A 17 1.776 1.009 3.679 1.00 0.00 H new ATOM 0 HB VAL A 17 2.497 -1.811 4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.270 -2.612 2.573 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.199 -1.799 3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.713 -0.951 2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.640 -1.944 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.224 -0.239 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.336 -0.666 3.366 1.00 0.00 H new ATOM 261 N ALA A 18 0.881 0.036 6.686 1.00 0.00 N ATOM 262 CA ALA A 18 -0.208 0.114 7.679 1.00 0.00 C ATOM 263 C ALA A 18 -0.746 1.541 7.753 1.00 0.00 C ATOM 264 O ALA A 18 -1.941 1.773 7.554 1.00 0.00 O ATOM 265 CB ALA A 18 0.281 -0.345 9.061 1.00 0.00 C ATOM 0 H ALA A 18 1.792 -0.179 7.092 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.012 -0.552 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.538 -0.279 9.777 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.628 -1.377 9.000 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.101 0.295 9.388 1.00 0.00 H new ATOM 271 N ALA A 19 0.176 2.492 8.010 1.00 0.00 N ATOM 272 CA ALA A 19 -0.132 3.930 8.079 1.00 0.00 C ATOM 273 C ALA A 19 -0.704 4.451 6.753 1.00 0.00 C ATOM 274 O ALA A 19 -1.490 5.402 6.740 1.00 0.00 O ATOM 275 CB ALA A 19 1.131 4.715 8.454 1.00 0.00 C ATOM 0 H ALA A 19 1.160 2.279 8.176 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.893 4.075 8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.897 5.778 8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.494 4.378 9.425 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.901 4.548 7.701 1.00 0.00 H new ATOM 281 N LEU A 20 -0.276 3.816 5.651 1.00 0.00 N ATOM 282 CA LEU A 20 -0.724 4.143 4.299 1.00 0.00 C ATOM 283 C LEU A 20 -2.193 3.752 4.101 1.00 0.00 C ATOM 284 O LEU A 20 -3.002 4.593 3.727 1.00 0.00 O ATOM 285 CB LEU A 20 0.181 3.439 3.263 1.00 0.00 C ATOM 286 CG LEU A 20 -0.141 3.704 1.764 1.00 0.00 C ATOM 287 CD1 LEU A 20 -0.125 5.204 1.437 1.00 0.00 C ATOM 288 CD2 LEU A 20 0.833 2.943 0.862 1.00 0.00 C ATOM 0 H LEU A 20 0.399 3.052 5.680 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.648 5.221 4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.211 3.742 3.449 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.128 2.364 3.438 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.150 3.338 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.354 5.349 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.871 5.717 2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.862 5.613 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.592 3.141 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.852 3.271 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.750 1.874 1.057 1.00 0.00 H new ATOM 300 N MET A 21 -2.536 2.482 4.365 1.00 0.00 N ATOM 301 CA MET A 21 -3.916 1.989 4.179 1.00 0.00 C ATOM 302 C MET A 21 -4.877 2.589 5.227 1.00 0.00 C ATOM 303 O MET A 21 -6.080 2.620 5.010 1.00 0.00 O ATOM 304 CB MET A 21 -3.962 0.441 4.190 1.00 0.00 C ATOM 305 CG MET A 21 -3.118 -0.214 3.085 1.00 0.00 C ATOM 306 SD MET A 21 -3.415 -1.985 2.943 1.00 0.00 S ATOM 307 CE MET A 21 -5.062 -2.042 2.227 1.00 0.00 C ATOM 0 H MET A 21 -1.882 1.778 4.707 1.00 0.00 H new ATOM 0 HA MET A 21 -4.256 2.323 3.199 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.614 0.084 5.159 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.997 0.117 4.083 1.00 0.00 H new ATOM 0 HG2 MET A 21 -3.340 0.265 2.131 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.061 -0.042 3.290 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.725 -2.604 2.885 1.00 0.00 H new ATOM 0 HE2 MET A 21 -5.442 -1.027 2.108 1.00 0.00 H new ATOM 0 HE3 MET A 21 -5.019 -2.530 1.253 1.00 0.00 H new ATOM 317 N THR A 22 -4.333 3.063 6.364 1.00 0.00 N ATOM 318 CA THR A 22 -5.113 3.819 7.366 1.00 0.00 C ATOM 319 C THR A 22 -5.374 5.257 6.859 1.00 0.00 C ATOM 320 O THR A 22 -6.470 5.802 7.044 1.00 0.00 O ATOM 321 CB THR A 22 -4.387 3.833 8.750 1.00 0.00 C ATOM 322 OG1 THR A 22 -4.178 2.478 9.179 1.00 0.00 O ATOM 323 CG2 THR A 22 -5.180 4.575 9.841 1.00 0.00 C ATOM 0 H THR A 22 -3.352 2.936 6.613 1.00 0.00 H new ATOM 0 HA THR A 22 -6.073 3.321 7.506 1.00 0.00 H new ATOM 0 HB THR A 22 -3.445 4.364 8.612 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.420 2.094 8.691 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.623 4.549 10.777 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.333 5.611 9.539 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.147 4.091 9.981 1.00 0.00 H new ATOM 331 N GLU A 23 -4.361 5.838 6.180 1.00 0.00 N ATOM 332 CA GLU A 23 -4.457 7.166 5.532 1.00 0.00 C ATOM 333 C GLU A 23 -5.527 7.146 4.422 1.00 0.00 C ATOM 334 O GLU A 23 -6.317 8.085 4.268 1.00 0.00 O ATOM 335 CB GLU A 23 -3.073 7.543 4.919 1.00 0.00 C ATOM 336 CG GLU A 23 -3.003 8.920 4.220 1.00 0.00 C ATOM 337 CD GLU A 23 -3.110 10.105 5.196 1.00 0.00 C ATOM 338 OE1 GLU A 23 -2.071 10.520 5.742 1.00 0.00 O ATOM 339 OE2 GLU A 23 -4.223 10.613 5.437 1.00 0.00 O ATOM 0 H GLU A 23 -3.448 5.397 6.065 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.743 7.906 6.280 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.326 7.521 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.794 6.775 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.064 8.994 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.807 8.989 3.487 1.00 0.00 H new ATOM 346 N LEU A 24 -5.536 6.035 3.671 1.00 0.00 N ATOM 347 CA LEU A 24 -6.426 5.826 2.518 1.00 0.00 C ATOM 348 C LEU A 24 -7.791 5.236 2.957 1.00 0.00 C ATOM 349 O LEU A 24 -8.678 5.037 2.115 1.00 0.00 O ATOM 350 CB LEU A 24 -5.729 4.888 1.495 1.00 0.00 C ATOM 351 CG LEU A 24 -4.319 5.332 0.975 1.00 0.00 C ATOM 352 CD1 LEU A 24 -3.676 4.246 0.093 1.00 0.00 C ATOM 353 CD2 LEU A 24 -4.366 6.687 0.242 1.00 0.00 C ATOM 0 H LEU A 24 -4.916 5.245 3.850 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.624 6.791 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.628 3.903 1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.388 4.775 0.634 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.690 5.466 1.855 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.699 4.587 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.557 3.330 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.315 4.051 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.365 6.951 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.034 6.614 -0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.732 7.456 0.922 1.00 0.00 H new ATOM 365 N ASP A 25 -7.926 4.937 4.279 1.00 0.00 N ATOM 366 CA ASP A 25 -9.138 4.326 4.906 1.00 0.00 C ATOM 367 C ASP A 25 -9.461 2.926 4.338 1.00 0.00 C ATOM 368 O ASP A 25 -10.560 2.396 4.538 1.00 0.00 O ATOM 369 CB ASP A 25 -10.371 5.274 4.819 1.00 0.00 C ATOM 370 CG ASP A 25 -10.191 6.572 5.629 1.00 0.00 C ATOM 371 OD1 ASP A 25 -9.671 7.566 5.080 1.00 0.00 O ATOM 372 OD2 ASP A 25 -10.551 6.592 6.827 1.00 0.00 O ATOM 0 H ASP A 25 -7.182 5.117 4.954 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.900 4.187 5.961 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -10.555 5.527 3.775 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.254 4.747 5.180 1.00 0.00 H new ATOM 377 N CYS A 26 -8.447 2.300 3.717 1.00 0.00 N ATOM 378 CA CYS A 26 -8.528 0.964 3.103 1.00 0.00 C ATOM 379 C CYS A 26 -8.229 -0.152 4.142 1.00 0.00 C ATOM 380 O CYS A 26 -7.879 -1.275 3.787 1.00 0.00 O ATOM 381 CB CYS A 26 -7.525 0.903 1.928 1.00 0.00 C ATOM 382 SG CYS A 26 -7.728 2.233 0.722 1.00 0.00 S ATOM 0 H CYS A 26 -7.523 2.721 3.626 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.540 0.795 2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.511 0.939 2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.634 -0.055 1.420 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.168 3.299 1.322 1.00 0.00 H new ATOM 388 N THR A 27 -8.383 0.180 5.426 1.00 0.00 N ATOM 389 CA THR A 27 -8.262 -0.759 6.550 1.00 0.00 C ATOM 390 C THR A 27 -9.665 -1.193 7.018 1.00 0.00 C ATOM 391 O THR A 27 -9.820 -2.223 7.686 1.00 0.00 O ATOM 392 CB THR A 27 -7.478 -0.084 7.728 1.00 0.00 C ATOM 393 OG1 THR A 27 -7.956 1.263 7.930 1.00 0.00 O ATOM 394 CG2 THR A 27 -5.963 -0.059 7.470 1.00 0.00 C ATOM 0 H THR A 27 -8.601 1.131 5.723 1.00 0.00 H new ATOM 0 HA THR A 27 -7.711 -1.641 6.225 1.00 0.00 H new ATOM 0 HB THR A 27 -7.655 -0.680 8.623 1.00 0.00 H new ATOM 0 HG1 THR A 27 -7.463 1.678 8.668 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.459 0.417 8.311 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.596 -1.079 7.357 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.758 0.503 6.559 1.00 0.00 H new ATOM 402 N ASP A 28 -10.679 -0.386 6.650 1.00 0.00 N ATOM 403 CA ASP A 28 -12.085 -0.620 7.007 1.00 0.00 C ATOM 404 C ASP A 28 -12.752 -1.474 5.934 1.00 0.00 C ATOM 405 O ASP A 28 -12.708 -1.121 4.759 1.00 0.00 O ATOM 406 CB ASP A 28 -12.824 0.737 7.163 1.00 0.00 C ATOM 407 CG ASP A 28 -12.222 1.603 8.287 1.00 0.00 C ATOM 408 OD1 ASP A 28 -12.652 1.463 9.453 1.00 0.00 O ATOM 409 OD2 ASP A 28 -11.301 2.406 8.009 1.00 0.00 O ATOM 0 H ASP A 28 -10.539 0.455 6.090 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.134 -1.151 7.957 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.778 1.284 6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.877 0.553 7.373 1.00 0.00 H new ATOM 414 N GLY A 29 -13.382 -2.583 6.343 1.00 0.00 N ATOM 415 CA GLY A 29 -13.953 -3.547 5.400 1.00 0.00 C ATOM 416 C GLY A 29 -12.918 -4.536 4.891 1.00 0.00 C ATOM 417 O GLY A 29 -11.773 -4.534 5.354 1.00 0.00 O ATOM 0 H GLY A 29 -13.508 -2.833 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.764 -4.090 5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -14.388 -3.012 4.556 1.00 0.00 H new ATOM 421 N HIS A 30 -13.312 -5.386 3.930 1.00 0.00 N ATOM 422 CA HIS A 30 -12.401 -6.394 3.354 1.00 0.00 C ATOM 423 C HIS A 30 -11.544 -5.780 2.223 1.00 0.00 C ATOM 424 O HIS A 30 -11.945 -5.747 1.051 1.00 0.00 O ATOM 425 CB HIS A 30 -13.175 -7.660 2.884 1.00 0.00 C ATOM 426 CG HIS A 30 -14.271 -7.447 1.870 1.00 0.00 C ATOM 427 ND1 HIS A 30 -14.117 -7.708 0.524 1.00 0.00 N ATOM 428 CD2 HIS A 30 -15.548 -7.037 2.019 1.00 0.00 C ATOM 429 CE1 HIS A 30 -15.249 -7.470 -0.098 1.00 0.00 C ATOM 430 NE2 HIS A 30 -16.132 -7.062 0.785 1.00 0.00 N ATOM 0 H HIS A 30 -14.252 -5.398 3.535 1.00 0.00 H new ATOM 0 HA HIS A 30 -11.718 -6.719 4.138 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -12.455 -8.362 2.464 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -13.611 -8.137 3.761 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -13.258 -8.035 0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -16.021 -6.743 2.944 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -15.424 -7.590 -1.157 1.00 0.00 H new ATOM 439 N TYR A 31 -10.379 -5.226 2.609 1.00 0.00 N ATOM 440 CA TYR A 31 -9.381 -4.681 1.661 1.00 0.00 C ATOM 441 C TYR A 31 -7.997 -5.259 1.962 1.00 0.00 C ATOM 442 O TYR A 31 -7.650 -5.508 3.121 1.00 0.00 O ATOM 443 CB TYR A 31 -9.315 -3.140 1.729 1.00 0.00 C ATOM 444 CG TYR A 31 -10.575 -2.429 1.226 1.00 0.00 C ATOM 445 CD1 TYR A 31 -10.782 -2.223 -0.135 1.00 0.00 C ATOM 446 CD2 TYR A 31 -11.566 -1.999 2.107 1.00 0.00 C ATOM 447 CE1 TYR A 31 -11.926 -1.601 -0.595 1.00 0.00 C ATOM 448 CE2 TYR A 31 -12.711 -1.381 1.653 1.00 0.00 C ATOM 449 CZ TYR A 31 -12.892 -1.191 0.299 1.00 0.00 C ATOM 450 OH TYR A 31 -14.037 -0.588 -0.164 1.00 0.00 O ATOM 0 H TYR A 31 -10.100 -5.142 3.587 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.693 -4.968 0.657 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -9.132 -2.842 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.462 -2.799 1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.036 -2.555 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.434 -2.153 3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.064 -1.436 -1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -13.462 -1.047 2.353 1.00 0.00 H new ATOM 0 HH TYR A 31 -14.616 -0.360 0.593 1.00 0.00 H new ATOM 460 N ALA A 32 -7.214 -5.435 0.898 1.00 0.00 N ATOM 461 CA ALA A 32 -5.853 -5.958 0.952 1.00 0.00 C ATOM 462 C ALA A 32 -4.948 -5.112 0.049 1.00 0.00 C ATOM 463 O ALA A 32 -5.432 -4.402 -0.841 1.00 0.00 O ATOM 464 CB ALA A 32 -5.852 -7.434 0.519 1.00 0.00 C ATOM 0 H ALA A 32 -7.519 -5.211 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.469 -5.903 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.835 -7.824 0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.489 -8.010 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.231 -7.515 -0.500 1.00 0.00 H new ATOM 470 N VAL A 33 -3.639 -5.182 0.302 1.00 0.00 N ATOM 471 CA VAL A 33 -2.618 -4.463 -0.483 1.00 0.00 C ATOM 472 C VAL A 33 -1.661 -5.464 -1.147 1.00 0.00 C ATOM 473 O VAL A 33 -1.402 -6.543 -0.604 1.00 0.00 O ATOM 474 CB VAL A 33 -1.805 -3.465 0.414 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.051 -4.210 1.532 1.00 0.00 C ATOM 476 CG2 VAL A 33 -0.840 -2.577 -0.411 1.00 0.00 C ATOM 0 H VAL A 33 -3.249 -5.741 1.061 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.132 -3.887 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.531 -2.797 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.497 -3.493 2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.765 -4.741 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.357 -4.924 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.302 -1.905 0.258 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.127 -3.209 -0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.411 -1.991 -1.132 1.00 0.00 H new ATOM 486 N ALA A 34 -1.154 -5.097 -2.329 1.00 0.00 N ATOM 487 CA ALA A 34 -0.147 -5.866 -3.049 1.00 0.00 C ATOM 488 C ALA A 34 1.020 -4.956 -3.464 1.00 0.00 C ATOM 489 O ALA A 34 0.910 -4.192 -4.419 1.00 0.00 O ATOM 490 CB ALA A 34 -0.791 -6.560 -4.256 1.00 0.00 C ATOM 0 H ALA A 34 -1.439 -4.246 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 34 0.260 -6.639 -2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.035 -7.134 -4.792 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.579 -7.230 -3.913 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.217 -5.810 -4.922 1.00 0.00 H new ATOM 496 N LEU A 35 2.138 -5.041 -2.724 1.00 0.00 N ATOM 497 CA LEU A 35 3.355 -4.276 -3.033 1.00 0.00 C ATOM 498 C LEU A 35 4.234 -5.107 -3.984 1.00 0.00 C ATOM 499 O LEU A 35 4.560 -6.258 -3.681 1.00 0.00 O ATOM 500 CB LEU A 35 4.138 -3.895 -1.744 1.00 0.00 C ATOM 501 CG LEU A 35 5.478 -3.101 -1.958 1.00 0.00 C ATOM 502 CD1 LEU A 35 5.239 -1.753 -2.654 1.00 0.00 C ATOM 503 CD2 LEU A 35 6.229 -2.898 -0.631 1.00 0.00 C ATOM 0 H LEU A 35 2.223 -5.638 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 35 3.072 -3.341 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.483 -3.298 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.365 -4.810 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 35 6.103 -3.708 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.190 -1.236 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.783 -1.923 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.574 -1.142 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.151 -2.346 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.601 -2.336 0.060 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.468 -3.868 -0.196 1.00 0.00 H new ATOM 515 N ASN A 36 4.550 -4.510 -5.157 1.00 0.00 N ATOM 516 CA ASN A 36 5.375 -5.130 -6.220 1.00 0.00 C ATOM 517 C ASN A 36 4.678 -6.368 -6.810 1.00 0.00 C ATOM 518 O ASN A 36 5.330 -7.375 -7.128 1.00 0.00 O ATOM 519 CB ASN A 36 6.819 -5.441 -5.710 1.00 0.00 C ATOM 520 CG ASN A 36 7.585 -4.201 -5.230 1.00 0.00 C ATOM 521 OD1 ASN A 36 8.403 -4.282 -4.313 1.00 0.00 O ATOM 522 ND2 ASN A 36 7.363 -3.057 -5.863 1.00 0.00 N ATOM 0 H ASN A 36 4.234 -3.570 -5.395 1.00 0.00 H new ATOM 0 HA ASN A 36 5.481 -4.410 -7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 36 6.759 -6.159 -4.892 1.00 0.00 H new ATOM 0 HB3 ASN A 36 7.383 -5.918 -6.512 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.875 -2.217 -5.593 1.00 0.00 H new ATOM 0 HD22 ASN A 36 6.680 -3.017 -6.619 1.00 0.00 H new ATOM 529 N TYR A 37 3.337 -6.248 -6.967 1.00 0.00 N ATOM 530 CA TYR A 37 2.439 -7.289 -7.527 1.00 0.00 C ATOM 531 C TYR A 37 2.352 -8.532 -6.612 1.00 0.00 C ATOM 532 O TYR A 37 1.932 -9.611 -7.050 1.00 0.00 O ATOM 533 CB TYR A 37 2.838 -7.678 -8.987 1.00 0.00 C ATOM 534 CG TYR A 37 2.953 -6.484 -9.956 1.00 0.00 C ATOM 535 CD1 TYR A 37 1.818 -5.812 -10.420 1.00 0.00 C ATOM 536 CD2 TYR A 37 4.201 -6.030 -10.397 1.00 0.00 C ATOM 537 CE1 TYR A 37 1.921 -4.729 -11.280 1.00 0.00 C ATOM 538 CE2 TYR A 37 4.314 -4.955 -11.256 1.00 0.00 C ATOM 539 CZ TYR A 37 3.170 -4.306 -11.698 1.00 0.00 C ATOM 540 OH TYR A 37 3.288 -3.221 -12.545 1.00 0.00 O ATOM 0 H TYR A 37 2.836 -5.401 -6.700 1.00 0.00 H new ATOM 0 HA TYR A 37 1.441 -6.852 -7.570 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.793 -8.203 -8.962 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.100 -8.378 -9.378 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.841 -6.143 -10.102 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.095 -6.531 -10.058 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.032 -4.219 -11.621 1.00 0.00 H new ATOM 0 HE2 TYR A 37 5.288 -4.621 -11.582 1.00 0.00 H new ATOM 0 HH TYR A 37 4.235 -3.058 -12.738 1.00 0.00 H new ATOM 550 N ASP A 38 2.687 -8.339 -5.328 1.00 0.00 N ATOM 551 CA ASP A 38 2.717 -9.412 -4.313 1.00 0.00 C ATOM 552 C ASP A 38 1.968 -8.926 -3.061 1.00 0.00 C ATOM 553 O ASP A 38 2.309 -7.875 -2.507 1.00 0.00 O ATOM 554 CB ASP A 38 4.190 -9.773 -3.974 1.00 0.00 C ATOM 555 CG ASP A 38 4.317 -10.879 -2.911 1.00 0.00 C ATOM 556 OD1 ASP A 38 4.134 -12.071 -3.254 1.00 0.00 O ATOM 557 OD2 ASP A 38 4.576 -10.566 -1.726 1.00 0.00 O ATOM 0 H ASP A 38 2.948 -7.425 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 38 2.229 -10.309 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.697 -10.094 -4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.704 -8.879 -3.621 1.00 0.00 H new ATOM 562 N VAL A 39 0.939 -9.684 -2.632 1.00 0.00 N ATOM 563 CA VAL A 39 0.075 -9.309 -1.497 1.00 0.00 C ATOM 564 C VAL A 39 0.870 -9.310 -0.168 1.00 0.00 C ATOM 565 O VAL A 39 1.529 -10.302 0.174 1.00 0.00 O ATOM 566 CB VAL A 39 -1.192 -10.243 -1.391 1.00 0.00 C ATOM 567 CG1 VAL A 39 -2.124 -9.822 -0.222 1.00 0.00 C ATOM 568 CG2 VAL A 39 -1.972 -10.265 -2.730 1.00 0.00 C ATOM 0 H VAL A 39 0.684 -10.573 -3.063 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.279 -8.295 -1.684 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.835 -11.251 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.984 -10.490 -0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.577 -9.881 0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.466 -8.799 -0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.842 -10.915 -2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.300 -9.255 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.324 -10.640 -3.522 1.00 0.00 H new ATOM 578 N VAL A 40 0.808 -8.176 0.552 1.00 0.00 N ATOM 579 CA VAL A 40 1.469 -7.989 1.855 1.00 0.00 C ATOM 580 C VAL A 40 0.515 -8.450 2.975 1.00 0.00 C ATOM 581 O VAL A 40 -0.626 -7.980 3.006 1.00 0.00 O ATOM 582 CB VAL A 40 1.854 -6.479 2.085 1.00 0.00 C ATOM 583 CG1 VAL A 40 2.554 -6.251 3.446 1.00 0.00 C ATOM 584 CG2 VAL A 40 2.721 -5.943 0.927 1.00 0.00 C ATOM 0 H VAL A 40 0.291 -7.354 0.241 1.00 0.00 H new ATOM 0 HA VAL A 40 2.384 -8.581 1.868 1.00 0.00 H new ATOM 0 HB VAL A 40 0.920 -5.917 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.799 -5.195 3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.888 -6.556 4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.469 -6.842 3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.971 -4.899 1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.637 -6.529 0.857 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.168 -6.022 -0.009 1.00 0.00 H new ATOM 594 N PRO A 41 0.946 -9.384 3.894 1.00 0.00 N ATOM 595 CA PRO A 41 0.124 -9.795 5.067 1.00 0.00 C ATOM 596 C PRO A 41 -0.115 -8.625 6.045 1.00 0.00 C ATOM 597 O PRO A 41 0.761 -7.764 6.195 1.00 0.00 O ATOM 598 CB PRO A 41 0.971 -10.915 5.736 1.00 0.00 C ATOM 599 CG PRO A 41 1.981 -11.329 4.707 1.00 0.00 C ATOM 600 CD PRO A 41 2.251 -10.096 3.876 1.00 0.00 C ATOM 0 HA PRO A 41 -0.872 -10.127 4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.459 -10.550 6.639 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.344 -11.757 6.031 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.895 -11.690 5.179 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.599 -12.141 4.089 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.048 -9.488 4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.556 -10.353 2.862 1.00 0.00 H new ATOM 608 N ARG A 42 -1.300 -8.600 6.704 1.00 0.00 N ATOM 609 CA ARG A 42 -1.686 -7.507 7.642 1.00 0.00 C ATOM 610 C ARG A 42 -0.711 -7.372 8.818 1.00 0.00 C ATOM 611 O ARG A 42 -0.397 -6.253 9.242 1.00 0.00 O ATOM 612 CB ARG A 42 -3.147 -7.672 8.160 1.00 0.00 C ATOM 613 CG ARG A 42 -4.203 -7.492 7.060 1.00 0.00 C ATOM 614 CD ARG A 42 -5.645 -7.426 7.590 1.00 0.00 C ATOM 615 NE ARG A 42 -6.611 -7.169 6.502 1.00 0.00 N ATOM 616 CZ ARG A 42 -7.136 -8.112 5.699 1.00 0.00 C ATOM 617 NH1 ARG A 42 -6.821 -9.396 5.848 1.00 0.00 N ATOM 618 NH2 ARG A 42 -7.967 -7.758 4.737 1.00 0.00 N ATOM 0 H ARG A 42 -2.010 -9.326 6.605 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.634 -6.584 7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.259 -8.661 8.603 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.329 -6.945 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.987 -6.578 6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.123 -8.318 6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.895 -8.364 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.722 -6.639 8.340 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.902 -6.204 6.348 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.171 -9.680 6.581 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.229 -10.096 5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.207 -6.775 4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.369 -8.467 4.124 1.00 0.00 H new ATOM 632 N GLY A 43 -0.247 -8.521 9.332 1.00 0.00 N ATOM 633 CA GLY A 43 0.756 -8.562 10.397 1.00 0.00 C ATOM 634 C GLY A 43 2.109 -7.986 9.969 1.00 0.00 C ATOM 635 O GLY A 43 2.972 -7.744 10.817 1.00 0.00 O ATOM 0 H GLY A 43 -0.557 -9.441 9.020 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.386 -8.005 11.258 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.893 -9.594 10.720 1.00 0.00 H new ATOM 639 N LYS A 44 2.310 -7.809 8.644 1.00 0.00 N ATOM 640 CA LYS A 44 3.532 -7.208 8.079 1.00 0.00 C ATOM 641 C LYS A 44 3.315 -5.767 7.599 1.00 0.00 C ATOM 642 O LYS A 44 4.308 -5.069 7.421 1.00 0.00 O ATOM 643 CB LYS A 44 4.100 -8.077 6.918 1.00 0.00 C ATOM 644 CG LYS A 44 4.787 -9.377 7.381 1.00 0.00 C ATOM 645 CD LYS A 44 5.509 -10.101 6.228 1.00 0.00 C ATOM 646 CE LYS A 44 6.356 -11.287 6.709 1.00 0.00 C ATOM 647 NZ LYS A 44 5.537 -12.313 7.415 1.00 0.00 N ATOM 0 H LYS A 44 1.626 -8.081 7.938 1.00 0.00 H new ATOM 0 HA LYS A 44 4.260 -7.176 8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.287 -8.331 6.238 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.816 -7.483 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.505 -9.145 8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.042 -10.044 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.771 -10.456 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.150 -9.392 5.704 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.854 -11.746 5.855 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.138 -10.926 7.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.144 -13.111 7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.109 -11.892 8.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.786 -12.653 6.782 1.00 0.00 H new ATOM 661 N TRP A 45 2.039 -5.318 7.407 1.00 0.00 N ATOM 662 CA TRP A 45 1.729 -3.952 6.863 1.00 0.00 C ATOM 663 C TRP A 45 2.568 -2.845 7.562 1.00 0.00 C ATOM 664 O TRP A 45 3.108 -1.938 6.913 1.00 0.00 O ATOM 665 CB TRP A 45 0.209 -3.596 7.005 1.00 0.00 C ATOM 666 CG TRP A 45 -0.752 -4.250 6.033 1.00 0.00 C ATOM 667 CD1 TRP A 45 -0.463 -5.132 5.039 1.00 0.00 C ATOM 668 CD2 TRP A 45 -2.177 -4.030 5.959 1.00 0.00 C ATOM 669 NE1 TRP A 45 -1.607 -5.498 4.380 1.00 0.00 N ATOM 670 CE2 TRP A 45 -2.671 -4.827 4.913 1.00 0.00 C ATOM 671 CE3 TRP A 45 -3.081 -3.247 6.687 1.00 0.00 C ATOM 672 CZ2 TRP A 45 -4.023 -4.860 4.564 1.00 0.00 C ATOM 673 CZ3 TRP A 45 -4.423 -3.280 6.341 1.00 0.00 C ATOM 674 CH2 TRP A 45 -4.884 -4.084 5.290 1.00 0.00 C ATOM 0 H TRP A 45 1.211 -5.875 7.618 1.00 0.00 H new ATOM 0 HA TRP A 45 1.991 -3.987 5.806 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.105 -3.856 8.016 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.105 -2.515 6.906 1.00 0.00 H new ATOM 0 HD1 TRP A 45 0.527 -5.493 4.803 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.657 -6.167 3.612 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.739 -2.628 7.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -4.376 -5.476 3.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.127 -2.674 6.892 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -5.937 -4.091 5.049 1.00 0.00 H new ATOM 685 N ASP A 46 2.674 -2.966 8.895 1.00 0.00 N ATOM 686 CA ASP A 46 3.383 -2.012 9.768 1.00 0.00 C ATOM 687 C ASP A 46 4.910 -2.023 9.521 1.00 0.00 C ATOM 688 O ASP A 46 5.544 -0.965 9.472 1.00 0.00 O ATOM 689 CB ASP A 46 3.053 -2.325 11.257 1.00 0.00 C ATOM 690 CG ASP A 46 3.607 -3.683 11.732 1.00 0.00 C ATOM 691 OD1 ASP A 46 3.214 -4.722 11.161 1.00 0.00 O ATOM 692 OD2 ASP A 46 4.450 -3.713 12.653 1.00 0.00 O ATOM 0 H ASP A 46 2.261 -3.745 9.408 1.00 0.00 H new ATOM 0 HA ASP A 46 3.037 -1.007 9.527 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.461 -1.534 11.886 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.971 -2.314 11.392 1.00 0.00 H new ATOM 697 N GLU A 47 5.495 -3.231 9.367 1.00 0.00 N ATOM 698 CA GLU A 47 6.962 -3.401 9.171 1.00 0.00 C ATOM 699 C GLU A 47 7.362 -3.375 7.675 1.00 0.00 C ATOM 700 O GLU A 47 8.565 -3.438 7.356 1.00 0.00 O ATOM 701 CB GLU A 47 7.461 -4.714 9.840 1.00 0.00 C ATOM 702 CG GLU A 47 6.737 -5.980 9.363 1.00 0.00 C ATOM 703 CD GLU A 47 7.472 -7.292 9.686 1.00 0.00 C ATOM 704 OE1 GLU A 47 7.479 -7.714 10.856 1.00 0.00 O ATOM 705 OE2 GLU A 47 8.048 -7.907 8.761 1.00 0.00 O ATOM 0 H GLU A 47 4.976 -4.109 9.374 1.00 0.00 H new ATOM 0 HA GLU A 47 7.446 -2.551 9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.528 -4.824 9.645 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.341 -4.626 10.920 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.747 -6.011 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.591 -5.916 8.285 1.00 0.00 H new ATOM 712 N THR A 48 6.375 -3.271 6.770 1.00 0.00 N ATOM 713 CA THR A 48 6.621 -3.190 5.323 1.00 0.00 C ATOM 714 C THR A 48 6.782 -1.702 4.943 1.00 0.00 C ATOM 715 O THR A 48 5.831 -0.923 5.131 1.00 0.00 O ATOM 716 CB THR A 48 5.468 -3.835 4.492 1.00 0.00 C ATOM 717 OG1 THR A 48 5.265 -5.180 4.926 1.00 0.00 O ATOM 718 CG2 THR A 48 5.769 -3.841 2.982 1.00 0.00 C ATOM 0 H THR A 48 5.387 -3.241 7.021 1.00 0.00 H new ATOM 0 HA THR A 48 7.527 -3.750 5.090 1.00 0.00 H new ATOM 0 HB THR A 48 4.574 -3.234 4.655 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.991 -5.182 5.867 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.937 -4.300 2.447 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.904 -2.817 2.634 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.679 -4.411 2.795 1.00 0.00 H new ATOM 726 N PRO A 49 7.989 -1.264 4.461 1.00 0.00 N ATOM 727 CA PRO A 49 8.233 0.149 4.106 1.00 0.00 C ATOM 728 C PRO A 49 7.599 0.545 2.747 1.00 0.00 C ATOM 729 O PRO A 49 7.373 -0.309 1.876 1.00 0.00 O ATOM 730 CB PRO A 49 9.779 0.234 4.075 1.00 0.00 C ATOM 731 CG PRO A 49 10.226 -1.137 3.650 1.00 0.00 C ATOM 732 CD PRO A 49 9.207 -2.108 4.226 1.00 0.00 C ATOM 0 HA PRO A 49 7.777 0.844 4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.120 0.997 3.375 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.181 0.496 5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.268 -1.214 2.564 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.227 -1.354 4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.999 -2.924 3.534 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.565 -2.558 5.152 1.00 0.00 H new ATOM 740 N VAL A 50 7.295 1.843 2.601 1.00 0.00 N ATOM 741 CA VAL A 50 6.792 2.449 1.355 1.00 0.00 C ATOM 742 C VAL A 50 7.932 3.260 0.702 1.00 0.00 C ATOM 743 O VAL A 50 8.461 4.196 1.318 1.00 0.00 O ATOM 744 CB VAL A 50 5.555 3.379 1.658 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.079 4.145 0.408 1.00 0.00 C ATOM 746 CG2 VAL A 50 4.385 2.571 2.270 1.00 0.00 C ATOM 0 H VAL A 50 7.393 2.517 3.361 1.00 0.00 H new ATOM 0 HA VAL A 50 6.464 1.666 0.671 1.00 0.00 H new ATOM 0 HB VAL A 50 5.891 4.116 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.226 4.771 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.889 4.772 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.785 3.434 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.546 3.238 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.074 1.795 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.710 2.110 3.203 1.00 0.00 H new ATOM 756 N THR A 51 8.322 2.882 -0.527 1.00 0.00 N ATOM 757 CA THR A 51 9.378 3.568 -1.304 1.00 0.00 C ATOM 758 C THR A 51 8.801 4.080 -2.629 1.00 0.00 C ATOM 759 O THR A 51 7.910 3.450 -3.209 1.00 0.00 O ATOM 760 CB THR A 51 10.596 2.621 -1.587 1.00 0.00 C ATOM 761 OG1 THR A 51 10.116 1.308 -1.906 1.00 0.00 O ATOM 762 CG2 THR A 51 11.578 2.546 -0.412 1.00 0.00 C ATOM 0 H THR A 51 7.913 2.086 -1.016 1.00 0.00 H new ATOM 0 HA THR A 51 9.737 4.408 -0.709 1.00 0.00 H new ATOM 0 HB THR A 51 11.144 3.041 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.017 1.223 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.399 1.876 -0.666 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.972 3.541 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.062 2.168 0.470 1.00 0.00 H new ATOM 770 N ALA A 52 9.353 5.210 -3.101 1.00 0.00 N ATOM 771 CA ALA A 52 8.832 5.965 -4.246 1.00 0.00 C ATOM 772 C ALA A 52 8.892 5.157 -5.564 1.00 0.00 C ATOM 773 O ALA A 52 9.936 4.587 -5.902 1.00 0.00 O ATOM 774 CB ALA A 52 9.611 7.282 -4.388 1.00 0.00 C ATOM 0 H ALA A 52 10.187 5.629 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 52 7.780 6.175 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 52 9.224 7.843 -5.239 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.495 7.873 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.667 7.065 -4.547 1.00 0.00 H new ATOM 780 N GLY A 53 7.768 5.147 -6.302 1.00 0.00 N ATOM 781 CA GLY A 53 7.688 4.509 -7.619 1.00 0.00 C ATOM 782 C GLY A 53 7.304 3.038 -7.596 1.00 0.00 C ATOM 783 O GLY A 53 7.227 2.415 -8.664 1.00 0.00 O ATOM 0 H GLY A 53 6.895 5.580 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.961 5.050 -8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.654 4.610 -8.114 1.00 0.00 H new ATOM 787 N ASP A 54 7.089 2.467 -6.396 1.00 0.00 N ATOM 788 CA ASP A 54 6.668 1.052 -6.250 1.00 0.00 C ATOM 789 C ASP A 54 5.148 0.892 -6.435 1.00 0.00 C ATOM 790 O ASP A 54 4.373 1.836 -6.227 1.00 0.00 O ATOM 791 CB ASP A 54 7.126 0.491 -4.880 1.00 0.00 C ATOM 792 CG ASP A 54 8.649 0.299 -4.794 1.00 0.00 C ATOM 793 OD1 ASP A 54 9.386 1.306 -4.814 1.00 0.00 O ATOM 794 OD2 ASP A 54 9.121 -0.852 -4.722 1.00 0.00 O ATOM 0 H ASP A 54 7.199 2.960 -5.510 1.00 0.00 H new ATOM 0 HA ASP A 54 7.151 0.474 -7.038 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.805 1.169 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.633 -0.465 -4.701 1.00 0.00 H new ATOM 799 N GLU A 55 4.757 -0.330 -6.831 1.00 0.00 N ATOM 800 CA GLU A 55 3.380 -0.687 -7.198 1.00 0.00 C ATOM 801 C GLU A 55 2.617 -1.115 -5.937 1.00 0.00 C ATOM 802 O GLU A 55 2.676 -2.279 -5.531 1.00 0.00 O ATOM 803 CB GLU A 55 3.336 -1.843 -8.255 1.00 0.00 C ATOM 804 CG GLU A 55 4.271 -1.672 -9.481 1.00 0.00 C ATOM 805 CD GLU A 55 5.758 -1.922 -9.168 1.00 0.00 C ATOM 806 OE1 GLU A 55 6.104 -3.058 -8.797 1.00 0.00 O ATOM 807 OE2 GLU A 55 6.580 -0.985 -9.250 1.00 0.00 O ATOM 0 H GLU A 55 5.405 -1.114 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 55 2.913 0.189 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.591 -2.777 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.312 -1.943 -8.614 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.954 -2.358 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.157 -0.662 -9.875 1.00 0.00 H new ATOM 814 N ILE A 56 1.943 -0.153 -5.305 1.00 0.00 N ATOM 815 CA ILE A 56 1.121 -0.402 -4.122 1.00 0.00 C ATOM 816 C ILE A 56 -0.331 -0.534 -4.582 1.00 0.00 C ATOM 817 O ILE A 56 -1.024 0.454 -4.792 1.00 0.00 O ATOM 818 CB ILE A 56 1.279 0.764 -3.088 1.00 0.00 C ATOM 819 CG1 ILE A 56 2.786 0.921 -2.733 1.00 0.00 C ATOM 820 CG2 ILE A 56 0.408 0.531 -1.831 1.00 0.00 C ATOM 821 CD1 ILE A 56 3.120 2.042 -1.784 1.00 0.00 C ATOM 0 H ILE A 56 1.952 0.823 -5.601 1.00 0.00 H new ATOM 0 HA ILE A 56 1.438 -1.318 -3.624 1.00 0.00 H new ATOM 0 HB ILE A 56 0.923 1.693 -3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.137 -0.015 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.344 1.073 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.543 1.360 -1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.641 0.468 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.707 -0.400 -1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.195 2.060 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.808 2.992 -2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.599 1.887 -0.840 1.00 0.00 H new ATOM 833 N GLU A 57 -0.770 -1.771 -4.748 1.00 0.00 N ATOM 834 CA GLU A 57 -2.091 -2.068 -5.300 1.00 0.00 C ATOM 835 C GLU A 57 -3.082 -2.224 -4.156 1.00 0.00 C ATOM 836 O GLU A 57 -2.923 -3.105 -3.329 1.00 0.00 O ATOM 837 CB GLU A 57 -2.007 -3.349 -6.159 1.00 0.00 C ATOM 838 CG GLU A 57 -0.947 -3.248 -7.266 1.00 0.00 C ATOM 839 CD GLU A 57 -0.814 -4.523 -8.107 1.00 0.00 C ATOM 840 OE1 GLU A 57 -0.407 -5.562 -7.565 1.00 0.00 O ATOM 841 OE2 GLU A 57 -1.149 -4.497 -9.313 1.00 0.00 O ATOM 0 H GLU A 57 -0.226 -2.599 -4.506 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.433 -1.255 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.776 -4.199 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.980 -3.545 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.197 -2.414 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.018 -3.019 -6.814 1.00 0.00 H new ATOM 848 N ILE A 58 -4.079 -1.346 -4.099 1.00 0.00 N ATOM 849 CA ILE A 58 -5.158 -1.457 -3.101 1.00 0.00 C ATOM 850 C ILE A 58 -6.341 -2.131 -3.795 1.00 0.00 C ATOM 851 O ILE A 58 -6.856 -1.601 -4.774 1.00 0.00 O ATOM 852 CB ILE A 58 -5.608 -0.066 -2.511 1.00 0.00 C ATOM 853 CG1 ILE A 58 -4.398 0.725 -1.903 1.00 0.00 C ATOM 854 CG2 ILE A 58 -6.737 -0.259 -1.458 1.00 0.00 C ATOM 855 CD1 ILE A 58 -3.689 0.045 -0.748 1.00 0.00 C ATOM 0 H ILE A 58 -4.169 -0.548 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.791 -2.036 -2.253 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.002 0.532 -3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.672 0.909 -2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.755 1.698 -1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.035 0.712 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.596 -0.738 -1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.373 -0.887 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.870 0.675 -0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.394 -0.114 0.068 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.294 -0.915 -1.079 1.00 0.00 H new ATOM 867 N LEU A 59 -6.748 -3.307 -3.312 1.00 0.00 N ATOM 868 CA LEU A 59 -7.850 -4.080 -3.901 1.00 0.00 C ATOM 869 C LEU A 59 -8.798 -4.566 -2.797 1.00 0.00 C ATOM 870 O LEU A 59 -8.465 -4.506 -1.611 1.00 0.00 O ATOM 871 CB LEU A 59 -7.324 -5.247 -4.827 1.00 0.00 C ATOM 872 CG LEU A 59 -6.236 -6.278 -4.308 1.00 0.00 C ATOM 873 CD1 LEU A 59 -4.865 -5.635 -4.004 1.00 0.00 C ATOM 874 CD2 LEU A 59 -6.735 -7.127 -3.119 1.00 0.00 C ATOM 0 H LEU A 59 -6.323 -3.753 -2.499 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.423 -3.428 -4.560 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.194 -5.828 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.920 -4.783 -5.726 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.077 -6.955 -5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.173 -6.401 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.470 -5.176 -4.910 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.983 -4.874 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.948 -7.814 -2.807 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.995 -6.472 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.614 -7.696 -3.422 1.00 0.00 H new ATOM 886 N THR A 60 -9.991 -5.018 -3.197 1.00 0.00 N ATOM 887 CA THR A 60 -10.998 -5.587 -2.291 1.00 0.00 C ATOM 888 C THR A 60 -11.171 -7.099 -2.611 1.00 0.00 C ATOM 889 O THR A 60 -11.834 -7.453 -3.594 1.00 0.00 O ATOM 890 CB THR A 60 -12.358 -4.792 -2.377 1.00 0.00 C ATOM 891 OG1 THR A 60 -13.376 -5.448 -1.605 1.00 0.00 O ATOM 892 CG2 THR A 60 -12.854 -4.557 -3.826 1.00 0.00 C ATOM 0 H THR A 60 -10.290 -4.999 -4.172 1.00 0.00 H new ATOM 0 HA THR A 60 -10.659 -5.492 -1.259 1.00 0.00 H new ATOM 0 HB THR A 60 -12.155 -3.806 -1.959 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.043 -5.613 -0.698 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.793 -4.005 -3.804 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.109 -3.983 -4.377 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.009 -5.517 -4.318 1.00 0.00 H new ATOM 900 N PRO A 61 -10.526 -8.017 -1.815 1.00 0.00 N ATOM 901 CA PRO A 61 -10.598 -9.480 -2.062 1.00 0.00 C ATOM 902 C PRO A 61 -12.023 -10.041 -1.865 1.00 0.00 C ATOM 903 O PRO A 61 -12.679 -9.718 -0.872 1.00 0.00 O ATOM 904 CB PRO A 61 -9.599 -10.068 -1.020 1.00 0.00 C ATOM 905 CG PRO A 61 -9.502 -9.027 0.063 1.00 0.00 C ATOM 906 CD PRO A 61 -9.659 -7.699 -0.642 1.00 0.00 C ATOM 0 HA PRO A 61 -10.348 -9.741 -3.090 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.958 -11.018 -0.623 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.625 -10.259 -1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.279 -9.168 0.814 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.545 -9.086 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.121 -6.954 0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.696 -7.296 -0.954 1.00 0.00 H new ATOM 914 N ARG A 62 -12.477 -10.856 -2.843 1.00 0.00 N ATOM 915 CA ARG A 62 -13.801 -11.513 -2.845 1.00 0.00 C ATOM 916 C ARG A 62 -14.926 -10.441 -2.807 1.00 0.00 C ATOM 917 O ARG A 62 -15.518 -10.162 -1.752 1.00 0.00 O ATOM 918 CB ARG A 62 -13.913 -12.565 -1.677 1.00 0.00 C ATOM 919 CG ARG A 62 -14.832 -13.800 -1.931 1.00 0.00 C ATOM 920 CD ARG A 62 -16.302 -13.454 -2.231 1.00 0.00 C ATOM 921 NE ARG A 62 -16.905 -12.619 -1.183 1.00 0.00 N ATOM 922 CZ ARG A 62 -18.221 -12.486 -0.959 1.00 0.00 C ATOM 923 NH1 ARG A 62 -19.125 -13.132 -1.688 1.00 0.00 N ATOM 924 NH2 ARG A 62 -18.635 -11.673 -0.008 1.00 0.00 N ATOM 0 H ARG A 62 -11.922 -11.079 -3.669 1.00 0.00 H new ATOM 0 HA ARG A 62 -13.923 -12.076 -3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -12.911 -12.928 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -14.275 -12.049 -0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -14.429 -14.371 -2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -14.796 -14.449 -1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -16.362 -12.933 -3.187 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.876 -14.375 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 62 -16.271 -12.098 -0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -18.825 -13.750 -2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -20.119 -13.010 -1.493 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -17.957 -11.153 0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -19.633 -11.564 0.171 1.00 0.00 H new ATOM 938 N GLN A 63 -15.168 -9.824 -3.965 1.00 0.00 N ATOM 939 CA GLN A 63 -16.181 -8.771 -4.143 1.00 0.00 C ATOM 940 C GLN A 63 -16.796 -8.904 -5.543 1.00 0.00 C ATOM 941 O GLN A 63 -18.024 -8.919 -5.692 1.00 0.00 O ATOM 942 CB GLN A 63 -15.544 -7.364 -3.939 1.00 0.00 C ATOM 943 CG GLN A 63 -16.524 -6.169 -4.046 1.00 0.00 C ATOM 944 CD GLN A 63 -17.527 -6.022 -2.890 1.00 0.00 C ATOM 945 OE1 GLN A 63 -17.893 -6.976 -2.212 1.00 0.00 O ATOM 946 NE2 GLN A 63 -17.984 -4.807 -2.661 1.00 0.00 N ATOM 0 H GLN A 63 -14.660 -10.042 -4.822 1.00 0.00 H new ATOM 0 HA GLN A 63 -16.968 -8.885 -3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -15.071 -7.337 -2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.754 -7.231 -4.678 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.941 -5.250 -4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -17.083 -6.264 -4.977 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.667 -4.026 -3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.654 -4.648 -1.909 1.00 0.00 H new ATOM 955 N GLY A 64 -15.912 -9.012 -6.556 1.00 0.00 N ATOM 956 CA GLY A 64 -16.309 -9.247 -7.945 1.00 0.00 C ATOM 957 C GLY A 64 -16.803 -7.997 -8.683 1.00 0.00 C ATOM 958 O GLY A 64 -16.265 -7.637 -9.743 1.00 0.00 O ATOM 0 H GLY A 64 -14.903 -8.937 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -15.460 -9.662 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -17.097 -10.000 -7.962 1.00 0.00 H new ATOM 962 N GLY A 65 -17.817 -7.335 -8.115 1.00 0.00 N ATOM 963 CA GLY A 65 -18.503 -6.224 -8.764 1.00 0.00 C ATOM 964 C GLY A 65 -19.792 -5.886 -8.037 1.00 0.00 C ATOM 965 O GLY A 65 -20.236 -4.734 -8.054 1.00 0.00 O ATOM 0 H GLY A 65 -18.182 -7.559 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -17.852 -5.350 -8.783 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -18.722 -6.482 -9.800 1.00 0.00 H new ATOM 969 N LEU A 66 -20.396 -6.906 -7.388 1.00 0.00 N ATOM 970 CA LEU A 66 -21.595 -6.744 -6.568 1.00 0.00 C ATOM 971 C LEU A 66 -21.197 -6.273 -5.160 1.00 0.00 C ATOM 972 O LEU A 66 -20.506 -6.996 -4.419 1.00 0.00 O ATOM 973 CB LEU A 66 -22.397 -8.075 -6.492 1.00 0.00 C ATOM 974 CG LEU A 66 -22.958 -8.618 -7.848 1.00 0.00 C ATOM 975 CD1 LEU A 66 -23.725 -9.942 -7.654 1.00 0.00 C ATOM 976 CD2 LEU A 66 -23.835 -7.561 -8.550 1.00 0.00 C ATOM 0 H LEU A 66 -20.055 -7.867 -7.425 1.00 0.00 H new ATOM 0 HA LEU A 66 -22.237 -5.993 -7.028 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -21.753 -8.839 -6.056 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -23.233 -7.934 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 66 -22.106 -8.827 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -24.100 -10.289 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -23.055 -10.692 -7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -24.562 -9.781 -6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -24.211 -7.966 -9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -24.674 -7.299 -7.906 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -23.240 -6.670 -8.751 1.00 0.00 H new ATOM 988 N GLU A 67 -21.578 -5.028 -4.850 1.00 0.00 N ATOM 989 CA GLU A 67 -21.467 -4.436 -3.503 1.00 0.00 C ATOM 990 C GLU A 67 -22.174 -5.330 -2.466 1.00 0.00 C ATOM 991 O GLU A 67 -23.389 -5.238 -2.281 1.00 0.00 O ATOM 992 CB GLU A 67 -22.102 -3.016 -3.491 1.00 0.00 C ATOM 993 CG GLU A 67 -21.605 -2.059 -4.595 1.00 0.00 C ATOM 994 CD GLU A 67 -22.259 -0.671 -4.528 1.00 0.00 C ATOM 995 OE1 GLU A 67 -21.863 0.132 -3.660 1.00 0.00 O ATOM 996 OE2 GLU A 67 -23.181 -0.378 -5.319 1.00 0.00 O ATOM 0 H GLU A 67 -21.979 -4.389 -5.537 1.00 0.00 H new ATOM 0 HA GLU A 67 -20.411 -4.359 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -23.183 -3.119 -3.583 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -21.907 -2.558 -2.522 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.524 -1.949 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -21.807 -2.503 -5.570 1.00 0.00 H new ATOM 1003 N HIS A 68 -21.410 -6.237 -1.844 1.00 0.00 N ATOM 1004 CA HIS A 68 -21.934 -7.195 -0.857 1.00 0.00 C ATOM 1005 C HIS A 68 -22.374 -6.497 0.451 1.00 0.00 C ATOM 1006 O HIS A 68 -23.345 -6.928 1.091 1.00 0.00 O ATOM 1007 CB HIS A 68 -20.873 -8.286 -0.578 1.00 0.00 C ATOM 1008 CG HIS A 68 -20.658 -9.245 -1.724 1.00 0.00 C ATOM 1009 ND1 HIS A 68 -19.495 -9.311 -2.460 1.00 0.00 N ATOM 1010 CD2 HIS A 68 -21.470 -10.195 -2.240 1.00 0.00 C ATOM 1011 CE1 HIS A 68 -19.608 -10.252 -3.372 1.00 0.00 C ATOM 1012 NE2 HIS A 68 -20.793 -10.801 -3.258 1.00 0.00 N ATOM 0 H HIS A 68 -20.408 -6.329 -2.010 1.00 0.00 H new ATOM 0 HA HIS A 68 -22.825 -7.662 -1.276 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -19.925 -7.803 -0.340 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -21.173 -8.852 0.304 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -18.674 -8.722 -2.319 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -22.470 -10.431 -1.908 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -18.852 -10.526 -4.093 1.00 0.00 H new ATOM 1021 N HIS A 69 -21.659 -5.414 0.824 1.00 0.00 N ATOM 1022 CA HIS A 69 -21.950 -4.623 2.038 1.00 0.00 C ATOM 1023 C HIS A 69 -21.221 -3.266 1.958 1.00 0.00 C ATOM 1024 O HIS A 69 -19.997 -3.199 2.120 1.00 0.00 O ATOM 1025 CB HIS A 69 -21.524 -5.409 3.306 1.00 0.00 C ATOM 1026 CG HIS A 69 -21.800 -4.721 4.619 1.00 0.00 C ATOM 1027 ND1 HIS A 69 -22.943 -4.937 5.357 1.00 0.00 N ATOM 1028 CD2 HIS A 69 -21.052 -3.859 5.346 1.00 0.00 C ATOM 1029 CE1 HIS A 69 -22.881 -4.238 6.470 1.00 0.00 C ATOM 1030 NE2 HIS A 69 -21.746 -3.577 6.488 1.00 0.00 N ATOM 0 H HIS A 69 -20.863 -5.064 0.291 1.00 0.00 H new ATOM 0 HA HIS A 69 -23.022 -4.439 2.102 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -22.036 -6.371 3.305 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -20.456 -5.617 3.242 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -20.084 -3.466 5.073 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -23.637 -4.212 7.240 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -21.434 -2.955 7.233 1.00 0.00 H new ATOM 1039 N HIS A 70 -21.981 -2.198 1.670 1.00 0.00 N ATOM 1040 CA HIS A 70 -21.467 -0.811 1.589 1.00 0.00 C ATOM 1041 C HIS A 70 -22.497 0.172 2.173 1.00 0.00 C ATOM 1042 O HIS A 70 -23.686 -0.154 2.273 1.00 0.00 O ATOM 1043 CB HIS A 70 -21.110 -0.417 0.122 1.00 0.00 C ATOM 1044 CG HIS A 70 -19.791 -0.962 -0.362 1.00 0.00 C ATOM 1045 ND1 HIS A 70 -18.602 -0.284 -0.208 1.00 0.00 N ATOM 1046 CD2 HIS A 70 -19.474 -2.124 -0.974 1.00 0.00 C ATOM 1047 CE1 HIS A 70 -17.618 -1.005 -0.694 1.00 0.00 C ATOM 1048 NE2 HIS A 70 -18.119 -2.126 -1.165 1.00 0.00 N ATOM 0 H HIS A 70 -22.981 -2.268 1.484 1.00 0.00 H new ATOM 0 HA HIS A 70 -20.551 -0.759 2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -21.901 -0.770 -0.540 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -21.091 0.670 0.044 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -18.501 0.637 0.218 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -20.162 -2.906 -1.259 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -16.575 -0.725 -0.705 1.00 0.00 H new ATOM 1057 N HIS A 71 -22.021 1.372 2.563 1.00 0.00 N ATOM 1058 CA HIS A 71 -22.858 2.432 3.154 1.00 0.00 C ATOM 1059 C HIS A 71 -23.594 3.202 2.042 1.00 0.00 C ATOM 1060 O HIS A 71 -23.105 4.221 1.541 1.00 0.00 O ATOM 1061 CB HIS A 71 -22.003 3.400 4.032 1.00 0.00 C ATOM 1062 CG HIS A 71 -21.419 2.778 5.265 1.00 0.00 C ATOM 1063 ND1 HIS A 71 -21.995 2.905 6.509 1.00 0.00 N ATOM 1064 CD2 HIS A 71 -20.307 2.033 5.445 1.00 0.00 C ATOM 1065 CE1 HIS A 71 -21.266 2.268 7.395 1.00 0.00 C ATOM 1066 NE2 HIS A 71 -20.230 1.733 6.776 1.00 0.00 N ATOM 0 H HIS A 71 -21.039 1.633 2.476 1.00 0.00 H new ATOM 0 HA HIS A 71 -23.598 1.967 3.805 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -21.191 3.799 3.424 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -22.625 4.245 4.328 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -19.608 1.730 4.679 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -21.478 2.194 8.451 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -19.492 1.185 7.219 1.00 0.00 H new ATOM 1075 N HIS A 72 -24.743 2.646 1.620 1.00 0.00 N ATOM 1076 CA HIS A 72 -25.659 3.296 0.660 1.00 0.00 C ATOM 1077 C HIS A 72 -26.422 4.420 1.378 1.00 0.00 C ATOM 1078 O HIS A 72 -26.449 5.570 0.911 1.00 0.00 O ATOM 1079 CB HIS A 72 -26.641 2.253 0.050 1.00 0.00 C ATOM 1080 CG HIS A 72 -25.959 1.208 -0.792 1.00 0.00 C ATOM 1081 ND1 HIS A 72 -25.914 1.269 -2.166 1.00 0.00 N ATOM 1082 CD2 HIS A 72 -25.276 0.090 -0.449 1.00 0.00 C ATOM 1083 CE1 HIS A 72 -25.236 0.242 -2.626 1.00 0.00 C ATOM 1084 NE2 HIS A 72 -24.836 -0.486 -1.607 1.00 0.00 N ATOM 0 H HIS A 72 -25.065 1.731 1.935 1.00 0.00 H new ATOM 0 HA HIS A 72 -25.084 3.724 -0.161 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -27.183 1.761 0.857 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -27.380 2.774 -0.559 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -25.110 -0.278 0.553 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -25.040 0.031 -3.667 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -24.286 -1.343 -1.671 1.00 0.00 H new ATOM 1093 N HIS A 73 -27.014 4.060 2.536 1.00 0.00 N ATOM 1094 CA HIS A 73 -27.717 5.000 3.431 1.00 0.00 C ATOM 1095 C HIS A 73 -27.711 4.423 4.877 1.00 0.00 C ATOM 1096 O HIS A 73 -27.008 4.966 5.756 1.00 0.00 O ATOM 1097 CB HIS A 73 -29.167 5.275 2.932 1.00 0.00 C ATOM 1098 CG HIS A 73 -29.884 6.368 3.685 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -29.716 7.705 3.394 1.00 0.00 N ATOM 1100 CD2 HIS A 73 -30.755 6.326 4.726 1.00 0.00 C ATOM 1101 CE1 HIS A 73 -30.446 8.429 4.215 1.00 0.00 C ATOM 1102 NE2 HIS A 73 -31.086 7.618 5.031 1.00 0.00 N ATOM 1103 OXT HIS A 73 -28.384 3.399 5.116 1.00 0.00 O ATOM 0 H HIS A 73 -27.017 3.099 2.878 1.00 0.00 H new ATOM 0 HA HIS A 73 -27.197 5.958 3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -29.131 5.541 1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -29.747 4.355 3.010 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -31.119 5.438 5.221 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -30.509 9.507 4.219 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -31.726 7.906 5.771 1.00 0.00 H new TER 1112 HIS A 73