USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 706 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 67 GLN : amide:sc= -7.29! C(o=-10!,f=-14!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -3.1 K(o=-10,f=-22!) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc= -0.128 USER MOD Set 2.2: A 12 HIS : no HD1:sc= -12.9! C(o=-20!,f=-9!) USER MOD Set 2.3: A 37 MET CE :methyl -109:sc= -6.76! (180deg=-0.805) USER MOD Single : A 1 MET CE :methyl 138:sc= -3.38 (180deg=-6.09!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 47:sc= 1.08 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0481) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 88:sc= 1.49 USER MOD Single : A 19 ASN : amide:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 58:sc= 1.1 USER MOD Single : A 27 LYS NZ :NH3+ 135:sc= 0.564 (180deg=-0.394) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.36) USER MOD Single : A 35 ASN : amide:sc= -1.53 K(o=-1.5,f=-3.9!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 60 GLN : amide:sc= -1.14 K(o=-1.1,f=-8.3!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0473 USER MOD Single : A 81 GLN : amide:sc= -0.246 K(o=-0.25,f=-2!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.841 -0.662 12.080 1.00 0.00 N ATOM 2 CA MET A 1 2.421 -1.713 11.205 1.00 0.00 C ATOM 3 C MET A 1 2.413 -1.261 9.752 1.00 0.00 C ATOM 4 O MET A 1 1.846 -0.217 9.428 1.00 0.00 O ATOM 5 CB MET A 1 1.628 -2.992 11.382 1.00 0.00 C ATOM 6 CG MET A 1 2.436 -4.213 11.045 1.00 0.00 C ATOM 7 SD MET A 1 3.928 -4.352 12.048 1.00 0.00 S ATOM 8 CE MET A 1 3.217 -4.462 13.690 1.00 0.00 C ATOM 0 H1 MET A 1 1.854 -0.987 13.068 1.00 0.00 H new ATOM 0 H2 MET A 1 2.402 0.209 11.994 1.00 0.00 H new ATOM 0 H3 MET A 1 0.860 -0.472 11.791 1.00 0.00 H new ATOM 0 HA MET A 1 3.458 -1.894 11.486 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.280 -3.062 12.413 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.742 -2.959 10.748 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.822 -5.102 11.188 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.712 -4.183 9.991 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.748 -5.220 14.266 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.306 -3.498 14.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.165 -4.735 13.613 1.00 0.00 H new ATOM 20 N PHE A 2 3.054 -2.032 8.879 1.00 0.00 N ATOM 21 CA PHE A 2 3.125 -1.684 7.464 1.00 0.00 C ATOM 22 C PHE A 2 1.777 -1.195 6.960 1.00 0.00 C ATOM 23 O PHE A 2 0.733 -1.748 7.300 1.00 0.00 O ATOM 24 CB PHE A 2 3.587 -2.884 6.642 1.00 0.00 C ATOM 25 CG PHE A 2 4.975 -3.338 6.981 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.075 -2.673 6.472 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.179 -4.431 7.807 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.355 -3.085 6.779 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.458 -4.851 8.118 1.00 0.00 C ATOM 30 CZ PHE A 2 7.547 -4.177 7.604 1.00 0.00 C ATOM 0 H PHE A 2 3.530 -2.900 9.126 1.00 0.00 H new ATOM 0 HA PHE A 2 3.850 -0.878 7.350 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.894 -3.711 6.798 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.545 -2.628 5.583 1.00 0.00 H new ATOM 0 HD1 PHE A 2 5.930 -1.820 5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.329 -4.960 8.212 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.205 -2.555 6.376 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.605 -5.705 8.762 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.548 -4.502 7.846 1.00 0.00 H new ATOM 40 N LYS A 3 1.811 -0.142 6.165 1.00 0.00 N ATOM 41 CA LYS A 3 0.596 0.445 5.625 1.00 0.00 C ATOM 42 C LYS A 3 0.554 0.313 4.113 1.00 0.00 C ATOM 43 O LYS A 3 1.437 0.808 3.415 1.00 0.00 O ATOM 44 CB LYS A 3 0.508 1.920 6.015 1.00 0.00 C ATOM 45 CG LYS A 3 -0.123 2.157 7.377 1.00 0.00 C ATOM 46 CD LYS A 3 0.932 2.355 8.453 1.00 0.00 C ATOM 47 CE LYS A 3 0.373 2.083 9.841 1.00 0.00 C ATOM 48 NZ LYS A 3 -0.187 3.312 10.465 1.00 0.00 N ATOM 0 H LYS A 3 2.670 0.327 5.877 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.255 -0.093 6.043 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.510 2.348 6.010 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.070 2.452 5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.768 3.035 7.333 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.756 1.309 7.638 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.775 1.691 8.263 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.313 3.375 8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -0.405 1.322 9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.161 1.680 10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.558 3.084 11.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.561 4.030 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.956 3.683 9.872 1.00 0.00 H new ATOM 62 N VAL A 4 -0.469 -0.357 3.601 1.00 0.00 N ATOM 63 CA VAL A 4 -0.593 -0.521 2.161 1.00 0.00 C ATOM 64 C VAL A 4 -1.716 0.328 1.590 1.00 0.00 C ATOM 65 O VAL A 4 -2.883 0.167 1.947 1.00 0.00 O ATOM 66 CB VAL A 4 -0.824 -1.983 1.739 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.176 -2.062 0.261 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.402 -2.814 2.018 1.00 0.00 C ATOM 0 H VAL A 4 -1.212 -0.789 4.150 1.00 0.00 H new ATOM 0 HA VAL A 4 0.364 -0.190 1.757 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.657 -2.377 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.336 -3.103 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.085 -1.492 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.359 -1.648 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.220 -3.845 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.248 -2.414 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.626 -2.785 3.084 1.00 0.00 H new ATOM 78 N TYR A 5 -1.349 1.200 0.665 1.00 0.00 N ATOM 79 CA TYR A 5 -2.309 2.053 -0.003 1.00 0.00 C ATOM 80 C TYR A 5 -2.635 1.469 -1.369 1.00 0.00 C ATOM 81 O TYR A 5 -1.850 1.595 -2.306 1.00 0.00 O ATOM 82 CB TYR A 5 -1.756 3.473 -0.167 1.00 0.00 C ATOM 83 CG TYR A 5 -1.555 4.216 1.137 1.00 0.00 C ATOM 84 CD1 TYR A 5 -2.424 4.036 2.203 1.00 0.00 C ATOM 85 CD2 TYR A 5 -0.497 5.103 1.295 1.00 0.00 C ATOM 86 CE1 TYR A 5 -2.247 4.718 3.390 1.00 0.00 C ATOM 87 CE2 TYR A 5 -0.314 5.789 2.481 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.191 5.593 3.523 1.00 0.00 C ATOM 89 OH TYR A 5 -1.011 6.273 4.707 1.00 0.00 O ATOM 0 H TYR A 5 -0.385 1.333 0.360 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.213 2.105 0.604 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.803 3.421 -0.693 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.437 4.045 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.253 3.351 2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.193 5.259 0.479 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.933 4.566 4.210 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.513 6.475 2.589 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.221 6.849 4.637 1.00 0.00 H new ATOM 99 N GLY A 6 -3.779 0.809 -1.477 1.00 0.00 N ATOM 100 CA GLY A 6 -4.157 0.209 -2.736 1.00 0.00 C ATOM 101 C GLY A 6 -5.633 -0.116 -2.803 1.00 0.00 C ATOM 102 O GLY A 6 -6.472 0.672 -2.368 1.00 0.00 O ATOM 0 H GLY A 6 -4.448 0.680 -0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.900 0.887 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.580 -0.703 -2.888 1.00 0.00 H new ATOM 106 N TYR A 7 -5.950 -1.274 -3.365 1.00 0.00 N ATOM 107 CA TYR A 7 -7.326 -1.704 -3.509 1.00 0.00 C ATOM 108 C TYR A 7 -7.590 -2.993 -2.744 1.00 0.00 C ATOM 109 O TYR A 7 -6.666 -3.736 -2.418 1.00 0.00 O ATOM 110 CB TYR A 7 -7.631 -1.894 -4.987 1.00 0.00 C ATOM 111 CG TYR A 7 -7.630 -0.599 -5.759 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.587 0.376 -5.516 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.660 -0.342 -6.718 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.574 1.566 -6.210 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.646 0.849 -7.419 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.606 1.799 -7.160 1.00 0.00 C ATOM 117 OH TYR A 7 -7.598 2.990 -7.851 1.00 0.00 O ATOM 0 H TYR A 7 -5.264 -1.934 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 7 -7.979 -0.938 -3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -6.894 -2.570 -5.421 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -8.604 -2.373 -5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.351 0.200 -4.774 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.903 -1.086 -6.920 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.324 2.317 -6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.887 1.032 -8.165 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.850 2.996 -8.484 1.00 0.00 H new ATOM 127 N ASP A 8 -8.862 -3.255 -2.461 1.00 0.00 N ATOM 128 CA ASP A 8 -9.253 -4.457 -1.735 1.00 0.00 C ATOM 129 C ASP A 8 -9.691 -5.558 -2.695 1.00 0.00 C ATOM 130 O ASP A 8 -8.973 -6.535 -2.901 1.00 0.00 O ATOM 131 CB ASP A 8 -10.382 -4.143 -0.748 1.00 0.00 C ATOM 132 CG ASP A 8 -10.790 -5.354 0.070 1.00 0.00 C ATOM 133 OD1 ASP A 8 -11.448 -6.257 -0.490 1.00 0.00 O ATOM 134 OD2 ASP A 8 -10.448 -5.401 1.271 1.00 0.00 O ATOM 0 H ASP A 8 -9.640 -2.650 -2.724 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.384 -4.810 -1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.063 -3.346 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.247 -3.770 -1.297 1.00 0.00 H new ATOM 139 N SER A 9 -10.876 -5.392 -3.281 1.00 0.00 N ATOM 140 CA SER A 9 -11.414 -6.374 -4.221 1.00 0.00 C ATOM 141 C SER A 9 -12.873 -6.068 -4.571 1.00 0.00 C ATOM 142 O SER A 9 -13.284 -6.180 -5.727 1.00 0.00 O ATOM 143 CB SER A 9 -11.318 -7.788 -3.633 1.00 0.00 C ATOM 144 OG SER A 9 -10.099 -8.415 -3.994 1.00 0.00 O ATOM 0 H SER A 9 -11.482 -4.587 -3.121 1.00 0.00 H new ATOM 0 HA SER A 9 -10.818 -6.317 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.396 -7.738 -2.547 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.157 -8.388 -3.986 1.00 0.00 H new ATOM 0 HG SER A 9 -9.355 -7.797 -3.839 1.00 0.00 H new ATOM 150 N ASN A 10 -13.650 -5.697 -3.556 1.00 0.00 N ATOM 151 CA ASN A 10 -15.074 -5.394 -3.732 1.00 0.00 C ATOM 152 C ASN A 10 -15.296 -4.101 -4.511 1.00 0.00 C ATOM 153 O ASN A 10 -16.283 -3.963 -5.238 1.00 0.00 O ATOM 154 CB ASN A 10 -15.757 -5.291 -2.367 1.00 0.00 C ATOM 155 CG ASN A 10 -17.270 -5.245 -2.469 1.00 0.00 C ATOM 156 OD1 ASN A 10 -17.846 -4.212 -2.804 1.00 0.00 O ATOM 157 ND2 ASN A 10 -17.921 -6.365 -2.174 1.00 0.00 N ATOM 0 H ASN A 10 -13.318 -5.598 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 10 -15.510 -6.209 -4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.464 -6.144 -1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.404 -4.395 -1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.940 -6.390 -2.221 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.402 -7.200 -1.901 1.00 0.00 H new ATOM 164 N ILE A 11 -14.391 -3.149 -4.348 1.00 0.00 N ATOM 165 CA ILE A 11 -14.512 -1.866 -5.030 1.00 0.00 C ATOM 166 C ILE A 11 -13.634 -1.786 -6.255 1.00 0.00 C ATOM 167 O ILE A 11 -13.957 -1.089 -7.212 1.00 0.00 O ATOM 168 CB ILE A 11 -14.103 -0.692 -4.122 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.853 -0.739 -2.800 1.00 0.00 C ATOM 170 CG2 ILE A 11 -14.337 0.640 -4.827 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.329 -0.433 -2.936 1.00 0.00 C ATOM 0 H ILE A 11 -13.567 -3.238 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.563 -1.793 -5.308 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.038 -0.785 -3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.734 -1.728 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.403 -0.025 -2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.042 1.457 -4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -13.743 0.677 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -15.393 0.739 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.803 -0.484 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.457 0.567 -3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.792 -1.162 -3.601 1.00 0.00 H new ATOM 183 N HIS A 12 -12.490 -2.442 -6.201 1.00 0.00 N ATOM 184 CA HIS A 12 -11.560 -2.349 -7.298 1.00 0.00 C ATOM 185 C HIS A 12 -10.648 -3.565 -7.271 1.00 0.00 C ATOM 186 O HIS A 12 -9.998 -3.852 -6.265 1.00 0.00 O ATOM 187 CB HIS A 12 -10.782 -1.067 -7.082 1.00 0.00 C ATOM 188 CG HIS A 12 -10.338 -0.320 -8.303 1.00 0.00 C ATOM 189 ND1 HIS A 12 -10.045 -0.869 -9.512 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.217 1.011 -8.468 1.00 0.00 C ATOM 191 CE1 HIS A 12 -9.759 0.126 -10.367 1.00 0.00 C ATOM 192 NE2 HIS A 12 -9.852 1.295 -9.775 1.00 0.00 N ATOM 0 H HIS A 12 -12.191 -3.032 -5.424 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.054 -2.330 -8.270 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.396 -0.397 -6.481 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.897 -1.304 -6.491 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.380 1.748 -7.696 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.489 -0.016 -11.403 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.690 2.214 -10.188 1.00 0.00 H new ATOM 200 N LYS A 13 -10.651 -4.297 -8.355 1.00 0.00 N ATOM 201 CA LYS A 13 -9.864 -5.529 -8.451 1.00 0.00 C ATOM 202 C LYS A 13 -8.353 -5.284 -8.421 1.00 0.00 C ATOM 203 O LYS A 13 -7.864 -4.261 -8.897 1.00 0.00 O ATOM 204 CB LYS A 13 -10.260 -6.318 -9.704 1.00 0.00 C ATOM 205 CG LYS A 13 -9.602 -5.838 -10.990 1.00 0.00 C ATOM 206 CD LYS A 13 -8.346 -6.633 -11.298 1.00 0.00 C ATOM 207 CE LYS A 13 -8.693 -8.039 -11.751 1.00 0.00 C ATOM 208 NZ LYS A 13 -9.220 -8.069 -13.145 1.00 0.00 N ATOM 0 H LYS A 13 -11.187 -4.072 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.096 -6.118 -7.564 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.007 -7.367 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.342 -6.265 -9.824 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.306 -5.931 -11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.353 -4.781 -10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.772 -6.128 -12.075 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.713 -6.678 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.806 -8.669 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.435 -8.464 -11.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.331 -9.056 -13.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.143 -7.590 -13.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.554 -7.582 -13.778 1.00 0.00 H new ATOM 222 N CYS A 14 -7.622 -6.258 -7.862 1.00 0.00 N ATOM 223 CA CYS A 14 -6.160 -6.185 -7.768 1.00 0.00 C ATOM 224 C CYS A 14 -5.559 -7.542 -7.414 1.00 0.00 C ATOM 225 O CYS A 14 -5.840 -8.102 -6.354 1.00 0.00 O ATOM 226 CB CYS A 14 -5.731 -5.160 -6.723 1.00 0.00 C ATOM 227 SG CYS A 14 -4.214 -4.276 -7.152 1.00 0.00 S ATOM 0 H CYS A 14 -8.023 -7.109 -7.467 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.791 -5.878 -8.747 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.535 -4.437 -6.584 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.589 -5.666 -5.768 1.00 0.00 H new ATOM 0 HG CYS A 14 -3.926 -3.426 -6.211 1.00 0.00 H new ATOM 233 N VAL A 15 -4.726 -8.058 -8.307 1.00 0.00 N ATOM 234 CA VAL A 15 -4.080 -9.348 -8.096 1.00 0.00 C ATOM 235 C VAL A 15 -2.807 -9.218 -7.265 1.00 0.00 C ATOM 236 O VAL A 15 -2.493 -10.088 -6.454 1.00 0.00 O ATOM 237 CB VAL A 15 -3.738 -10.025 -9.434 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.002 -10.573 -10.077 1.00 0.00 C ATOM 239 CG2 VAL A 15 -3.020 -9.058 -10.373 1.00 0.00 C ATOM 0 H VAL A 15 -4.481 -7.603 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.794 -9.964 -7.549 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.059 -10.855 -9.239 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.751 -11.051 -11.024 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.461 -11.305 -9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.702 -9.757 -10.257 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.791 -9.564 -11.311 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.662 -8.200 -10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.094 -8.719 -9.908 1.00 0.00 H new ATOM 249 N TYR A 16 -2.067 -8.134 -7.477 1.00 0.00 N ATOM 250 CA TYR A 16 -0.824 -7.909 -6.750 1.00 0.00 C ATOM 251 C TYR A 16 -1.072 -7.809 -5.249 1.00 0.00 C ATOM 252 O TYR A 16 -0.204 -8.151 -4.444 1.00 0.00 O ATOM 253 CB TYR A 16 -0.132 -6.646 -7.256 1.00 0.00 C ATOM 254 CG TYR A 16 0.943 -6.925 -8.280 1.00 0.00 C ATOM 255 CD1 TYR A 16 0.624 -7.469 -9.519 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.276 -6.645 -8.010 1.00 0.00 C ATOM 257 CE1 TYR A 16 1.605 -7.726 -10.457 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.261 -6.898 -8.942 1.00 0.00 C ATOM 259 CZ TYR A 16 2.921 -7.439 -10.164 1.00 0.00 C ATOM 260 OH TYR A 16 3.899 -7.689 -11.096 1.00 0.00 O ATOM 0 H TYR A 16 -2.306 -7.400 -8.144 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.173 -8.765 -6.929 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.877 -5.982 -7.693 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.309 -6.118 -6.411 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -0.406 -7.694 -9.752 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.546 -6.222 -7.054 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.342 -8.150 -11.415 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.293 -6.674 -8.716 1.00 0.00 H new ATOM 0 HH TYR A 16 4.771 -7.429 -10.733 1.00 0.00 H new ATOM 270 N CYS A 17 -2.260 -7.341 -4.873 1.00 0.00 N ATOM 271 CA CYS A 17 -2.613 -7.207 -3.465 1.00 0.00 C ATOM 272 C CYS A 17 -2.465 -8.548 -2.753 1.00 0.00 C ATOM 273 O CYS A 17 -1.837 -8.636 -1.698 1.00 0.00 O ATOM 274 CB CYS A 17 -4.047 -6.691 -3.315 1.00 0.00 C ATOM 275 SG CYS A 17 -4.523 -6.317 -1.609 1.00 0.00 S ATOM 0 H CYS A 17 -2.991 -7.050 -5.522 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.934 -6.486 -3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.163 -5.791 -3.919 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.734 -7.436 -3.718 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.193 -5.092 -1.325 1.00 0.00 H new ATOM 281 N ASP A 18 -3.041 -9.589 -3.343 1.00 0.00 N ATOM 282 CA ASP A 18 -2.976 -10.929 -2.768 1.00 0.00 C ATOM 283 C ASP A 18 -1.530 -11.373 -2.555 1.00 0.00 C ATOM 284 O ASP A 18 -1.226 -12.085 -1.598 1.00 0.00 O ATOM 285 CB ASP A 18 -3.693 -11.935 -3.671 1.00 0.00 C ATOM 286 CG ASP A 18 -4.049 -13.212 -2.936 1.00 0.00 C ATOM 287 OD1 ASP A 18 -4.341 -13.138 -1.724 1.00 0.00 O ATOM 288 OD2 ASP A 18 -4.037 -14.287 -3.573 1.00 0.00 O ATOM 0 H ASP A 18 -3.559 -9.532 -4.220 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.473 -10.895 -1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.601 -11.481 -4.068 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.057 -12.174 -4.523 1.00 0.00 H new ATOM 293 N ASN A 19 -0.641 -10.957 -3.454 1.00 0.00 N ATOM 294 CA ASN A 19 0.768 -11.325 -3.357 1.00 0.00 C ATOM 295 C ASN A 19 1.453 -10.573 -2.220 1.00 0.00 C ATOM 296 O ASN A 19 2.110 -11.177 -1.372 1.00 0.00 O ATOM 297 CB ASN A 19 1.490 -11.043 -4.677 1.00 0.00 C ATOM 298 CG ASN A 19 1.014 -11.944 -5.799 1.00 0.00 C ATOM 299 OD1 ASN A 19 1.572 -13.016 -6.031 1.00 0.00 O ATOM 300 ND2 ASN A 19 -0.025 -11.511 -6.504 1.00 0.00 N ATOM 0 H ASN A 19 -0.870 -10.368 -4.254 1.00 0.00 H new ATOM 0 HA ASN A 19 0.819 -12.393 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.333 -10.002 -4.959 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.563 -11.177 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.390 -12.074 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.458 -10.616 -6.277 1.00 0.00 H new ATOM 307 N ALA A 20 1.294 -9.253 -2.206 1.00 0.00 N ATOM 308 CA ALA A 20 1.898 -8.420 -1.173 1.00 0.00 C ATOM 309 C ALA A 20 1.493 -8.891 0.219 1.00 0.00 C ATOM 310 O ALA A 20 2.330 -9.008 1.114 1.00 0.00 O ATOM 311 CB ALA A 20 1.506 -6.967 -1.378 1.00 0.00 C ATOM 0 H ALA A 20 0.752 -8.737 -2.899 1.00 0.00 H new ATOM 0 HA ALA A 20 2.981 -8.508 -1.254 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.963 -6.354 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.852 -6.631 -2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.421 -6.872 -1.325 1.00 0.00 H new ATOM 317 N LYS A 21 0.206 -9.171 0.393 1.00 0.00 N ATOM 318 CA LYS A 21 -0.302 -9.641 1.675 1.00 0.00 C ATOM 319 C LYS A 21 0.288 -11.006 2.010 1.00 0.00 C ATOM 320 O LYS A 21 0.657 -11.273 3.153 1.00 0.00 O ATOM 321 CB LYS A 21 -1.829 -9.722 1.646 1.00 0.00 C ATOM 322 CG LYS A 21 -2.452 -9.929 3.017 1.00 0.00 C ATOM 323 CD LYS A 21 -3.606 -10.917 2.963 1.00 0.00 C ATOM 324 CE LYS A 21 -4.950 -10.205 2.944 1.00 0.00 C ATOM 325 NZ LYS A 21 -6.046 -11.099 2.481 1.00 0.00 N ATOM 0 H LYS A 21 -0.502 -9.081 -0.336 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.004 -8.931 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.225 -8.805 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.129 -10.541 0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.694 -10.292 3.711 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.807 -8.974 3.404 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.511 -11.541 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.558 -11.582 3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.180 -9.837 3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.891 -9.335 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.945 -10.576 2.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.840 -11.430 1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.120 -11.917 3.120 1.00 0.00 H new ATOM 339 N ARG A 22 0.384 -11.865 0.998 1.00 0.00 N ATOM 340 CA ARG A 22 0.940 -13.199 1.179 1.00 0.00 C ATOM 341 C ARG A 22 2.397 -13.110 1.615 1.00 0.00 C ATOM 342 O ARG A 22 2.861 -13.898 2.438 1.00 0.00 O ATOM 343 CB ARG A 22 0.828 -14.004 -0.118 1.00 0.00 C ATOM 344 CG ARG A 22 -0.425 -14.859 -0.198 1.00 0.00 C ATOM 345 CD ARG A 22 -0.156 -16.285 0.256 1.00 0.00 C ATOM 346 NE ARG A 22 -1.393 -17.013 0.534 1.00 0.00 N ATOM 347 CZ ARG A 22 -2.167 -17.544 -0.409 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.838 -17.431 -1.691 1.00 0.00 N ATOM 349 NH2 ARG A 22 -3.274 -18.191 -0.071 1.00 0.00 N ATOM 0 H ARG A 22 0.083 -11.659 0.045 1.00 0.00 H new ATOM 0 HA ARG A 22 0.371 -13.708 1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.844 -13.317 -0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.703 -14.647 -0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.207 -14.420 0.422 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.797 -14.866 -1.222 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.409 -16.810 -0.514 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.465 -16.269 1.152 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.679 -17.120 1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.988 -16.935 -1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.436 -17.840 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.532 -18.281 0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.868 -18.598 -0.794 1.00 0.00 H new ATOM 363 N LEU A 23 3.108 -12.129 1.065 1.00 0.00 N ATOM 364 CA LEU A 23 4.510 -11.913 1.400 1.00 0.00 C ATOM 365 C LEU A 23 4.661 -11.691 2.899 1.00 0.00 C ATOM 366 O LEU A 23 5.390 -12.412 3.578 1.00 0.00 O ATOM 367 CB LEU A 23 5.048 -10.704 0.621 1.00 0.00 C ATOM 368 CG LEU A 23 6.374 -10.120 1.119 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.037 -9.306 0.021 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.153 -9.253 2.349 1.00 0.00 C ATOM 0 H LEU A 23 2.733 -11.470 0.383 1.00 0.00 H new ATOM 0 HA LEU A 23 5.086 -12.796 1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.171 -10.995 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.295 -9.916 0.646 1.00 0.00 H new ATOM 0 HG LEU A 23 7.029 -10.947 1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.978 -8.897 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.231 -9.946 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.378 -8.490 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.108 -8.849 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.479 -8.433 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.713 -9.855 3.144 1.00 0.00 H new ATOM 382 N LEU A 24 3.952 -10.690 3.406 1.00 0.00 N ATOM 383 CA LEU A 24 3.993 -10.368 4.826 1.00 0.00 C ATOM 384 C LEU A 24 3.459 -11.533 5.649 1.00 0.00 C ATOM 385 O LEU A 24 3.889 -11.757 6.780 1.00 0.00 O ATOM 386 CB LEU A 24 3.186 -9.099 5.102 1.00 0.00 C ATOM 387 CG LEU A 24 3.571 -7.899 4.236 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.674 -6.711 4.524 1.00 0.00 C ATOM 389 CD2 LEU A 24 5.023 -7.521 4.467 1.00 0.00 C ATOM 0 H LEU A 24 3.342 -10.087 2.854 1.00 0.00 H new ATOM 0 HA LEU A 24 5.028 -10.190 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.129 -9.316 4.950 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.308 -8.828 6.151 1.00 0.00 H new ATOM 0 HG LEU A 24 3.441 -8.184 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.969 -5.871 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.638 -6.977 4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.769 -6.429 5.573 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.280 -6.665 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.169 -7.262 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.664 -8.364 4.209 1.00 0.00 H new ATOM 401 N THR A 25 2.532 -12.286 5.064 1.00 0.00 N ATOM 402 CA THR A 25 1.957 -13.441 5.736 1.00 0.00 C ATOM 403 C THR A 25 2.994 -14.555 5.817 1.00 0.00 C ATOM 404 O THR A 25 3.074 -15.281 6.808 1.00 0.00 O ATOM 405 CB THR A 25 0.716 -13.932 4.988 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.244 -12.898 4.878 1.00 0.00 O ATOM 407 CG2 THR A 25 0.044 -15.114 5.653 1.00 0.00 C ATOM 0 H THR A 25 2.165 -12.115 4.128 1.00 0.00 H new ATOM 0 HA THR A 25 1.660 -13.151 6.744 1.00 0.00 H new ATOM 0 HB THR A 25 1.075 -14.244 4.007 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.153 -12.131 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.828 -15.411 5.071 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.745 -15.947 5.708 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.269 -14.836 6.659 1.00 0.00 H new ATOM 415 N VAL A 26 3.800 -14.665 4.764 1.00 0.00 N ATOM 416 CA VAL A 26 4.853 -15.670 4.697 1.00 0.00 C ATOM 417 C VAL A 26 6.033 -15.267 5.575 1.00 0.00 C ATOM 418 O VAL A 26 6.530 -16.062 6.372 1.00 0.00 O ATOM 419 CB VAL A 26 5.339 -15.868 3.245 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.470 -16.885 3.181 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.185 -16.292 2.349 1.00 0.00 C ATOM 0 H VAL A 26 3.742 -14.065 3.941 1.00 0.00 H new ATOM 0 HA VAL A 26 4.437 -16.610 5.060 1.00 0.00 H new ATOM 0 HB VAL A 26 5.724 -14.914 2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.793 -17.005 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.308 -16.536 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.120 -17.843 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.546 -16.427 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.768 -17.231 2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.413 -15.523 2.361 1.00 0.00 H new ATOM 431 N LYS A 27 6.472 -14.020 5.426 1.00 0.00 N ATOM 432 CA LYS A 27 7.588 -13.502 6.210 1.00 0.00 C ATOM 433 C LYS A 27 7.262 -13.531 7.702 1.00 0.00 C ATOM 434 O LYS A 27 8.160 -13.483 8.541 1.00 0.00 O ATOM 435 CB LYS A 27 7.926 -12.073 5.776 1.00 0.00 C ATOM 436 CG LYS A 27 9.065 -11.992 4.768 1.00 0.00 C ATOM 437 CD LYS A 27 8.585 -11.493 3.413 1.00 0.00 C ATOM 438 CE LYS A 27 8.885 -12.494 2.309 1.00 0.00 C ATOM 439 NZ LYS A 27 7.783 -13.480 2.139 1.00 0.00 N ATOM 0 H LYS A 27 6.072 -13.350 4.769 1.00 0.00 H new ATOM 0 HA LYS A 27 8.453 -14.141 6.032 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.037 -11.614 5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.190 -11.488 6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.840 -11.326 5.147 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.519 -12.976 4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.512 -11.306 3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.066 -10.542 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.045 -11.963 1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.811 -13.021 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.577 -13.599 1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.070 -14.394 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.932 -13.137 2.628 1.00 0.00 H new ATOM 453 N LYS A 28 5.971 -13.602 8.025 1.00 0.00 N ATOM 454 CA LYS A 28 5.526 -13.633 9.415 1.00 0.00 C ATOM 455 C LYS A 28 5.724 -12.272 10.073 1.00 0.00 C ATOM 456 O LYS A 28 6.374 -12.160 11.112 1.00 0.00 O ATOM 457 CB LYS A 28 6.280 -14.711 10.199 1.00 0.00 C ATOM 458 CG LYS A 28 5.509 -15.245 11.395 1.00 0.00 C ATOM 459 CD LYS A 28 5.938 -16.660 11.748 1.00 0.00 C ATOM 460 CE LYS A 28 5.394 -17.671 10.752 1.00 0.00 C ATOM 461 NZ LYS A 28 5.143 -18.995 11.385 1.00 0.00 N ATOM 0 H LYS A 28 5.215 -13.639 7.341 1.00 0.00 H new ATOM 0 HA LYS A 28 4.463 -13.874 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.514 -15.539 9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.230 -14.301 10.543 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.667 -14.591 12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.441 -15.231 11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.026 -16.717 11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.587 -16.909 12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.467 -17.293 10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.102 -17.789 9.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.773 -19.656 10.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.032 -19.368 11.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.448 -18.887 12.151 1.00 0.00 H new ATOM 475 N GLN A 29 5.158 -11.238 9.459 1.00 0.00 N ATOM 476 CA GLN A 29 5.279 -9.886 9.984 1.00 0.00 C ATOM 477 C GLN A 29 3.961 -9.121 9.848 1.00 0.00 C ATOM 478 O GLN A 29 3.437 -8.974 8.745 1.00 0.00 O ATOM 479 CB GLN A 29 6.389 -9.135 9.248 1.00 0.00 C ATOM 480 CG GLN A 29 7.778 -9.396 9.810 1.00 0.00 C ATOM 481 CD GLN A 29 7.891 -9.035 11.279 1.00 0.00 C ATOM 482 OE1 GLN A 29 7.721 -7.878 11.661 1.00 0.00 O ATOM 483 NE2 GLN A 29 8.187 -10.028 12.110 1.00 0.00 N ATOM 0 H GLN A 29 4.613 -11.312 8.600 1.00 0.00 H new ATOM 0 HA GLN A 29 5.528 -9.957 11.043 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.373 -9.420 8.196 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.184 -8.065 9.292 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.027 -10.449 9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 29 8.510 -8.822 9.241 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.319 -10.973 11.749 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.282 -9.846 13.109 1.00 0.00 H new ATOM 492 N PRO A 30 3.409 -8.617 10.968 1.00 0.00 N ATOM 493 CA PRO A 30 2.154 -7.858 10.958 1.00 0.00 C ATOM 494 C PRO A 30 2.135 -6.769 9.899 1.00 0.00 C ATOM 495 O PRO A 30 3.182 -6.304 9.450 1.00 0.00 O ATOM 496 CB PRO A 30 2.107 -7.203 12.351 1.00 0.00 C ATOM 497 CG PRO A 30 3.424 -7.486 12.983 1.00 0.00 C ATOM 498 CD PRO A 30 3.948 -8.730 12.330 1.00 0.00 C ATOM 0 HA PRO A 30 1.308 -8.508 10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.935 -6.130 12.272 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.292 -7.613 12.947 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.111 -6.652 12.838 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.316 -7.628 14.058 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.037 -8.764 12.335 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.598 -9.632 12.833 1.00 0.00 H new ATOM 506 N PHE A 31 0.932 -6.336 9.537 1.00 0.00 N ATOM 507 CA PHE A 31 0.762 -5.262 8.568 1.00 0.00 C ATOM 508 C PHE A 31 -0.649 -4.690 8.633 1.00 0.00 C ATOM 509 O PHE A 31 -1.523 -5.246 9.298 1.00 0.00 O ATOM 510 CB PHE A 31 1.080 -5.744 7.168 1.00 0.00 C ATOM 511 CG PHE A 31 0.119 -6.771 6.684 1.00 0.00 C ATOM 512 CD1 PHE A 31 -1.096 -6.391 6.159 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.426 -8.113 6.767 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.997 -7.334 5.719 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.467 -9.066 6.332 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.685 -8.679 5.804 1.00 0.00 C ATOM 0 H PHE A 31 0.058 -6.715 9.902 1.00 0.00 H new ATOM 0 HA PHE A 31 1.463 -4.466 8.821 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.073 -4.895 6.485 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.088 -6.158 7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.345 -5.342 6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.377 -8.419 7.178 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.946 -7.024 5.308 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.217 -10.114 6.403 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.389 -9.423 5.460 1.00 0.00 H new ATOM 526 N GLU A 32 -0.872 -3.580 7.933 1.00 0.00 N ATOM 527 CA GLU A 32 -2.184 -2.946 7.913 1.00 0.00 C ATOM 528 C GLU A 32 -2.504 -2.419 6.522 1.00 0.00 C ATOM 529 O GLU A 32 -1.829 -1.522 6.018 1.00 0.00 O ATOM 530 CB GLU A 32 -2.244 -1.805 8.931 1.00 0.00 C ATOM 531 CG GLU A 32 -3.628 -1.587 9.519 1.00 0.00 C ATOM 532 CD GLU A 32 -3.800 -0.201 10.108 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.205 0.070 11.172 1.00 0.00 O ATOM 534 OE2 GLU A 32 -4.530 0.614 9.505 1.00 0.00 O ATOM 0 H GLU A 32 -0.163 -3.104 7.375 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.927 -3.696 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.543 -2.013 9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.913 -0.884 8.452 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.377 -1.743 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.811 -2.332 10.293 1.00 0.00 H new ATOM 541 N PHE A 33 -3.529 -2.987 5.898 1.00 0.00 N ATOM 542 CA PHE A 33 -3.930 -2.579 4.568 1.00 0.00 C ATOM 543 C PHE A 33 -4.940 -1.443 4.632 1.00 0.00 C ATOM 544 O PHE A 33 -5.660 -1.290 5.617 1.00 0.00 O ATOM 545 CB PHE A 33 -4.533 -3.766 3.826 1.00 0.00 C ATOM 546 CG PHE A 33 -4.647 -3.538 2.356 1.00 0.00 C ATOM 547 CD1 PHE A 33 -3.572 -3.785 1.528 1.00 0.00 C ATOM 548 CD2 PHE A 33 -5.825 -3.069 1.806 1.00 0.00 C ATOM 549 CE1 PHE A 33 -3.666 -3.569 0.168 1.00 0.00 C ATOM 550 CE2 PHE A 33 -5.928 -2.849 0.445 1.00 0.00 C ATOM 551 CZ PHE A 33 -4.843 -3.100 -0.374 1.00 0.00 C ATOM 0 H PHE A 33 -4.096 -3.734 6.298 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.048 -2.225 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.919 -4.649 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.522 -3.978 4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.647 -4.151 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.673 -2.873 2.445 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.818 -3.767 -0.471 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.852 -2.483 0.023 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.918 -2.929 -1.438 1.00 0.00 H new ATOM 561 N ILE A 34 -4.985 -0.649 3.570 1.00 0.00 N ATOM 562 CA ILE A 34 -5.902 0.475 3.492 1.00 0.00 C ATOM 563 C ILE A 34 -6.332 0.712 2.053 1.00 0.00 C ATOM 564 O ILE A 34 -5.504 0.936 1.171 1.00 0.00 O ATOM 565 CB ILE A 34 -5.276 1.774 4.036 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.513 1.510 5.334 1.00 0.00 C ATOM 567 CG2 ILE A 34 -6.350 2.827 4.253 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.575 2.633 5.718 1.00 0.00 C ATOM 0 H ILE A 34 -4.393 -0.766 2.748 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.764 0.218 4.108 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.566 2.147 3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.228 1.352 6.141 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.941 0.588 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.893 3.739 4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.846 3.041 3.306 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.082 2.457 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.066 2.380 6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.837 2.777 4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.145 3.552 5.855 1.00 0.00 H new ATOM 580 N ASN A 35 -7.632 0.659 1.831 1.00 0.00 N ATOM 581 CA ASN A 35 -8.189 0.870 0.504 1.00 0.00 C ATOM 582 C ASN A 35 -8.154 2.346 0.138 1.00 0.00 C ATOM 583 O ASN A 35 -8.842 3.163 0.750 1.00 0.00 O ATOM 584 CB ASN A 35 -9.625 0.346 0.439 1.00 0.00 C ATOM 585 CG ASN A 35 -9.755 -1.056 0.999 1.00 0.00 C ATOM 586 OD1 ASN A 35 -8.786 -1.815 1.034 1.00 0.00 O ATOM 587 ND2 ASN A 35 -10.957 -1.410 1.438 1.00 0.00 N ATOM 0 H ASN A 35 -8.326 0.471 2.554 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.581 0.319 -0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.279 1.018 0.994 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.965 0.353 -0.597 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.105 -2.343 1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.732 -0.749 1.390 1.00 0.00 H new ATOM 594 N ILE A 36 -7.341 2.684 -0.856 1.00 0.00 N ATOM 595 CA ILE A 36 -7.222 4.065 -1.296 1.00 0.00 C ATOM 596 C ILE A 36 -8.539 4.561 -1.883 1.00 0.00 C ATOM 597 O ILE A 36 -8.854 5.748 -1.810 1.00 0.00 O ATOM 598 CB ILE A 36 -6.099 4.233 -2.338 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.396 3.399 -3.585 1.00 0.00 C ATOM 600 CG2 ILE A 36 -4.755 3.842 -1.737 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.927 4.218 -4.741 1.00 0.00 C ATOM 0 H ILE A 36 -6.758 2.023 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.971 4.661 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.052 5.282 -2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.485 2.890 -3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.122 2.627 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.972 3.966 -2.485 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.541 4.479 -0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.789 2.801 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.116 3.565 -5.593 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.855 4.706 -4.445 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.192 4.974 -5.019 1.00 0.00 H new ATOM 613 N MET A 37 -9.312 3.641 -2.455 1.00 0.00 N ATOM 614 CA MET A 37 -10.600 3.990 -3.040 1.00 0.00 C ATOM 615 C MET A 37 -11.734 3.250 -2.332 1.00 0.00 C ATOM 616 O MET A 37 -12.076 2.126 -2.699 1.00 0.00 O ATOM 617 CB MET A 37 -10.615 3.674 -4.540 1.00 0.00 C ATOM 618 CG MET A 37 -11.977 3.855 -5.198 1.00 0.00 C ATOM 619 SD MET A 37 -11.907 4.806 -6.733 1.00 0.00 S ATOM 620 CE MET A 37 -10.807 3.797 -7.724 1.00 0.00 C ATOM 0 H MET A 37 -9.069 2.653 -2.525 1.00 0.00 H new ATOM 0 HA MET A 37 -10.752 5.061 -2.909 1.00 0.00 H new ATOM 0 HB2 MET A 37 -9.892 4.316 -5.043 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.286 2.646 -4.687 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.406 2.875 -5.405 1.00 0.00 H new ATOM 0 HG3 MET A 37 -12.647 4.355 -4.499 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.849 4.305 -7.836 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.653 2.836 -7.233 1.00 0.00 H new ATOM 0 HE3 MET A 37 -11.249 3.635 -8.707 1.00 0.00 H new ATOM 630 N PRO A 38 -12.335 3.871 -1.298 1.00 0.00 N ATOM 631 CA PRO A 38 -13.431 3.263 -0.538 1.00 0.00 C ATOM 632 C PRO A 38 -14.780 3.375 -1.245 1.00 0.00 C ATOM 633 O PRO A 38 -15.808 2.973 -0.702 1.00 0.00 O ATOM 634 CB PRO A 38 -13.442 4.078 0.751 1.00 0.00 C ATOM 635 CG PRO A 38 -12.981 5.432 0.335 1.00 0.00 C ATOM 636 CD PRO A 38 -11.991 5.214 -0.783 1.00 0.00 C ATOM 0 HA PRO A 38 -13.282 2.193 -0.395 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.439 4.115 1.190 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.780 3.645 1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.819 6.043 -0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.517 5.959 1.169 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.086 5.976 -1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.963 5.253 -0.421 1.00 0.00 H new ATOM 644 N GLU A 39 -14.771 3.923 -2.455 1.00 0.00 N ATOM 645 CA GLU A 39 -15.995 4.085 -3.227 1.00 0.00 C ATOM 646 C GLU A 39 -15.749 3.752 -4.692 1.00 0.00 C ATOM 647 O GLU A 39 -14.683 4.037 -5.231 1.00 0.00 O ATOM 648 CB GLU A 39 -16.520 5.517 -3.100 1.00 0.00 C ATOM 649 CG GLU A 39 -17.497 5.711 -1.952 1.00 0.00 C ATOM 650 CD GLU A 39 -18.391 6.921 -2.144 1.00 0.00 C ATOM 651 OE1 GLU A 39 -19.378 6.816 -2.903 1.00 0.00 O ATOM 652 OE2 GLU A 39 -18.106 7.973 -1.534 1.00 0.00 O ATOM 0 H GLU A 39 -13.930 4.262 -2.921 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.743 3.398 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.676 6.193 -2.965 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.009 5.799 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.116 4.819 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.941 5.819 -1.021 1.00 0.00 H new ATOM 659 N LYS A 40 -16.743 3.151 -5.336 1.00 0.00 N ATOM 660 CA LYS A 40 -16.623 2.783 -6.742 1.00 0.00 C ATOM 661 C LYS A 40 -16.541 4.010 -7.636 1.00 0.00 C ATOM 662 O LYS A 40 -16.296 3.908 -8.839 1.00 0.00 O ATOM 663 CB LYS A 40 -17.789 1.890 -7.170 1.00 0.00 C ATOM 664 CG LYS A 40 -19.136 2.594 -7.136 1.00 0.00 C ATOM 665 CD LYS A 40 -20.286 1.599 -7.138 1.00 0.00 C ATOM 666 CE LYS A 40 -21.442 2.086 -6.278 1.00 0.00 C ATOM 667 NZ LYS A 40 -22.514 1.060 -6.153 1.00 0.00 N ATOM 0 H LYS A 40 -17.637 2.909 -4.909 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.694 2.224 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.604 1.524 -8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.827 1.018 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.198 3.221 -6.246 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.224 3.255 -7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.632 1.442 -8.160 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.936 0.635 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.072 2.346 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.859 2.995 -6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -23.283 1.432 -5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.886 0.830 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.123 0.201 -5.716 1.00 0.00 H new ATOM 681 N GLY A 41 -16.757 5.158 -7.033 1.00 0.00 N ATOM 682 CA GLY A 41 -16.720 6.416 -7.757 1.00 0.00 C ATOM 683 C GLY A 41 -15.430 7.187 -7.554 1.00 0.00 C ATOM 684 O GLY A 41 -14.653 7.365 -8.493 1.00 0.00 O ATOM 0 H GLY A 41 -16.961 5.250 -6.038 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.854 6.219 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.559 7.035 -7.439 1.00 0.00 H new ATOM 688 N VAL A 42 -15.204 7.660 -6.330 1.00 0.00 N ATOM 689 CA VAL A 42 -14.006 8.434 -6.025 1.00 0.00 C ATOM 690 C VAL A 42 -13.286 7.919 -4.784 1.00 0.00 C ATOM 691 O VAL A 42 -13.912 7.615 -3.769 1.00 0.00 O ATOM 692 CB VAL A 42 -14.345 9.919 -5.807 1.00 0.00 C ATOM 693 CG1 VAL A 42 -13.075 10.750 -5.703 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.242 10.433 -6.923 1.00 0.00 C ATOM 0 H VAL A 42 -15.832 7.521 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.349 8.322 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.888 10.013 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.337 11.797 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.478 10.398 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.499 10.652 -6.623 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.471 11.485 -6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.731 10.325 -7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.168 9.858 -6.939 1.00 0.00 H new ATOM 704 N PHE A 43 -11.962 7.835 -4.874 1.00 0.00 N ATOM 705 CA PHE A 43 -11.147 7.365 -3.755 1.00 0.00 C ATOM 706 C PHE A 43 -11.194 8.333 -2.576 1.00 0.00 C ATOM 707 O PHE A 43 -11.722 9.440 -2.685 1.00 0.00 O ATOM 708 CB PHE A 43 -9.691 7.143 -4.176 1.00 0.00 C ATOM 709 CG PHE A 43 -9.225 8.059 -5.265 1.00 0.00 C ATOM 710 CD1 PHE A 43 -8.899 9.375 -4.989 1.00 0.00 C ATOM 711 CD2 PHE A 43 -9.117 7.600 -6.564 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.471 10.221 -5.994 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.690 8.439 -7.575 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.365 9.753 -7.290 1.00 0.00 C ATOM 0 H PHE A 43 -11.430 8.085 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.573 6.412 -3.440 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.048 7.274 -3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.573 6.111 -4.508 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.980 9.745 -3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.369 6.575 -6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.220 11.247 -5.767 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.610 8.069 -8.587 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.029 10.411 -8.078 1.00 0.00 H new ATOM 724 N ASP A 44 -10.635 7.901 -1.444 1.00 0.00 N ATOM 725 CA ASP A 44 -10.608 8.718 -0.233 1.00 0.00 C ATOM 726 C ASP A 44 -9.524 9.790 -0.313 1.00 0.00 C ATOM 727 O ASP A 44 -8.352 9.484 -0.528 1.00 0.00 O ATOM 728 CB ASP A 44 -10.370 7.840 0.997 1.00 0.00 C ATOM 729 CG ASP A 44 -10.846 8.499 2.277 1.00 0.00 C ATOM 730 OD1 ASP A 44 -10.499 9.677 2.503 1.00 0.00 O ATOM 731 OD2 ASP A 44 -11.565 7.835 3.054 1.00 0.00 O ATOM 0 H ASP A 44 -10.194 6.987 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.576 9.211 -0.145 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.887 6.889 0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.306 7.616 1.080 1.00 0.00 H new ATOM 736 N ASP A 45 -9.922 11.046 -0.133 1.00 0.00 N ATOM 737 CA ASP A 45 -8.983 12.166 -0.185 1.00 0.00 C ATOM 738 C ASP A 45 -8.213 12.314 1.127 1.00 0.00 C ATOM 739 O ASP A 45 -7.082 12.799 1.137 1.00 0.00 O ATOM 740 CB ASP A 45 -9.732 13.464 -0.492 1.00 0.00 C ATOM 741 CG ASP A 45 -8.921 14.408 -1.358 1.00 0.00 C ATOM 742 OD1 ASP A 45 -8.578 14.022 -2.495 1.00 0.00 O ATOM 743 OD2 ASP A 45 -8.629 15.532 -0.898 1.00 0.00 O ATOM 0 H ASP A 45 -10.888 11.316 0.050 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.264 11.961 -0.978 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -10.670 13.229 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.988 13.962 0.443 1.00 0.00 H new ATOM 748 N GLU A 46 -8.831 11.903 2.231 1.00 0.00 N ATOM 749 CA GLU A 46 -8.197 12.002 3.541 1.00 0.00 C ATOM 750 C GLU A 46 -6.950 11.127 3.617 1.00 0.00 C ATOM 751 O GLU A 46 -5.857 11.612 3.907 1.00 0.00 O ATOM 752 CB GLU A 46 -9.181 11.600 4.642 1.00 0.00 C ATOM 753 CG GLU A 46 -10.549 12.245 4.499 1.00 0.00 C ATOM 754 CD GLU A 46 -11.313 12.286 5.808 1.00 0.00 C ATOM 755 OE1 GLU A 46 -10.662 12.285 6.875 1.00 0.00 O ATOM 756 OE2 GLU A 46 -12.559 12.319 5.767 1.00 0.00 O ATOM 0 H GLU A 46 -9.768 11.499 2.244 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.899 13.040 3.689 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.297 10.516 4.636 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.760 11.870 5.610 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.430 13.260 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.131 11.694 3.760 1.00 0.00 H new ATOM 763 N LYS A 47 -7.122 9.837 3.355 1.00 0.00 N ATOM 764 CA LYS A 47 -6.008 8.899 3.393 1.00 0.00 C ATOM 765 C LYS A 47 -5.013 9.190 2.275 1.00 0.00 C ATOM 766 O LYS A 47 -3.802 9.085 2.465 1.00 0.00 O ATOM 767 CB LYS A 47 -6.520 7.462 3.278 1.00 0.00 C ATOM 768 CG LYS A 47 -7.533 7.089 4.348 1.00 0.00 C ATOM 769 CD LYS A 47 -6.868 6.904 5.703 1.00 0.00 C ATOM 770 CE LYS A 47 -7.746 7.426 6.829 1.00 0.00 C ATOM 771 NZ LYS A 47 -7.374 8.813 7.226 1.00 0.00 N ATOM 0 H LYS A 47 -8.020 9.418 3.115 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.497 9.019 4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.974 7.324 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.673 6.778 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.294 7.867 4.418 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.043 6.169 4.063 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.657 5.847 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.911 7.426 5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.790 7.406 6.515 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.660 6.766 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.996 9.132 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.386 8.828 7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.480 9.448 6.409 1.00 0.00 H new ATOM 785 N ILE A 48 -5.533 9.561 1.110 1.00 0.00 N ATOM 786 CA ILE A 48 -4.691 9.872 -0.037 1.00 0.00 C ATOM 787 C ILE A 48 -3.958 11.197 0.174 1.00 0.00 C ATOM 788 O ILE A 48 -2.890 11.422 -0.397 1.00 0.00 O ATOM 789 CB ILE A 48 -5.527 9.938 -1.341 1.00 0.00 C ATOM 790 CG1 ILE A 48 -5.856 8.528 -1.850 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.797 10.727 -2.421 1.00 0.00 C ATOM 792 CD1 ILE A 48 -6.183 7.531 -0.755 1.00 0.00 C ATOM 0 H ILE A 48 -6.534 9.653 0.936 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.957 9.072 -0.134 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.460 10.453 -1.110 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.702 8.589 -2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.008 8.154 -2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.406 10.757 -3.324 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.617 11.743 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.844 10.246 -2.642 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -6.403 6.561 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.330 7.437 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -7.051 7.878 -0.194 1.00 0.00 H new ATOM 804 N ALA A 49 -4.537 12.069 0.995 1.00 0.00 N ATOM 805 CA ALA A 49 -3.932 13.365 1.278 1.00 0.00 C ATOM 806 C ALA A 49 -2.657 13.194 2.093 1.00 0.00 C ATOM 807 O ALA A 49 -1.613 13.757 1.762 1.00 0.00 O ATOM 808 CB ALA A 49 -4.917 14.261 2.013 1.00 0.00 C ATOM 0 H ALA A 49 -5.422 11.902 1.474 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.673 13.838 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.450 15.225 2.217 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.803 14.410 1.396 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.205 13.791 2.953 1.00 0.00 H new ATOM 814 N GLU A 50 -2.748 12.401 3.156 1.00 0.00 N ATOM 815 CA GLU A 50 -1.602 12.139 4.015 1.00 0.00 C ATOM 816 C GLU A 50 -0.499 11.442 3.225 1.00 0.00 C ATOM 817 O GLU A 50 0.687 11.671 3.457 1.00 0.00 O ATOM 818 CB GLU A 50 -2.026 11.279 5.210 1.00 0.00 C ATOM 819 CG GLU A 50 -0.862 10.670 5.980 1.00 0.00 C ATOM 820 CD GLU A 50 -0.958 10.911 7.474 1.00 0.00 C ATOM 821 OE1 GLU A 50 -1.901 10.384 8.101 1.00 0.00 O ATOM 822 OE2 GLU A 50 -0.090 11.627 8.017 1.00 0.00 O ATOM 0 H GLU A 50 -3.606 11.929 3.442 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.216 13.088 4.386 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.619 11.889 5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.673 10.477 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.828 9.597 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.073 11.089 5.608 1.00 0.00 H new ATOM 829 N LEU A 51 -0.905 10.595 2.286 1.00 0.00 N ATOM 830 CA LEU A 51 0.036 9.860 1.456 1.00 0.00 C ATOM 831 C LEU A 51 0.945 10.824 0.702 1.00 0.00 C ATOM 832 O LEU A 51 2.168 10.695 0.736 1.00 0.00 O ATOM 833 CB LEU A 51 -0.727 8.970 0.475 1.00 0.00 C ATOM 834 CG LEU A 51 0.067 7.802 -0.094 1.00 0.00 C ATOM 835 CD1 LEU A 51 -0.812 6.944 -0.989 1.00 0.00 C ATOM 836 CD2 LEU A 51 1.278 8.293 -0.858 1.00 0.00 C ATOM 0 H LEU A 51 -1.885 10.401 2.082 1.00 0.00 H new ATOM 0 HA LEU A 51 0.657 9.232 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.611 8.577 0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.079 9.587 -0.352 1.00 0.00 H new ATOM 0 HG LEU A 51 0.414 7.192 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.227 6.115 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.649 6.553 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.191 7.548 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.829 7.440 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.955 8.931 -1.681 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.924 8.863 -0.189 1.00 0.00 H new ATOM 848 N LEU A 52 0.341 11.801 0.030 1.00 0.00 N ATOM 849 CA LEU A 52 1.093 12.792 -0.720 1.00 0.00 C ATOM 850 C LEU A 52 2.137 13.475 0.153 1.00 0.00 C ATOM 851 O LEU A 52 3.291 13.634 -0.242 1.00 0.00 O ATOM 852 CB LEU A 52 0.140 13.802 -1.291 1.00 0.00 C ATOM 853 CG LEU A 52 -0.714 13.234 -2.404 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.685 14.272 -2.854 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.153 12.762 -3.560 1.00 0.00 C ATOM 0 H LEU A 52 -0.671 11.924 -0.008 1.00 0.00 H new ATOM 0 HA LEU A 52 1.625 12.291 -1.529 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.506 14.175 -0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.704 14.654 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.263 12.369 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.303 13.869 -3.656 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.320 14.563 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.142 15.144 -3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.481 12.357 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.727 13.602 -3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.836 11.988 -3.210 1.00 0.00 H new ATOM 867 N THR A 53 1.719 13.870 1.351 1.00 0.00 N ATOM 868 CA THR A 53 2.614 14.530 2.293 1.00 0.00 C ATOM 869 C THR A 53 3.773 13.610 2.660 1.00 0.00 C ATOM 870 O THR A 53 4.925 14.042 2.735 1.00 0.00 O ATOM 871 CB THR A 53 1.850 14.938 3.555 1.00 0.00 C ATOM 872 OG1 THR A 53 0.635 15.582 3.219 1.00 0.00 O ATOM 873 CG2 THR A 53 2.632 15.871 4.453 1.00 0.00 C ATOM 0 H THR A 53 0.766 13.744 1.692 1.00 0.00 H new ATOM 0 HA THR A 53 3.014 15.426 1.818 1.00 0.00 H new ATOM 0 HB THR A 53 1.668 14.009 4.095 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.160 15.833 4.039 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.033 16.121 5.329 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.553 15.383 4.771 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.874 16.783 3.907 1.00 0.00 H new ATOM 881 N LYS A 54 3.460 12.337 2.883 1.00 0.00 N ATOM 882 CA LYS A 54 4.471 11.349 3.238 1.00 0.00 C ATOM 883 C LYS A 54 5.480 11.177 2.105 1.00 0.00 C ATOM 884 O LYS A 54 6.654 10.892 2.342 1.00 0.00 O ATOM 885 CB LYS A 54 3.810 10.006 3.563 1.00 0.00 C ATOM 886 CG LYS A 54 2.903 10.057 4.783 1.00 0.00 C ATOM 887 CD LYS A 54 3.480 9.262 5.944 1.00 0.00 C ATOM 888 CE LYS A 54 2.777 7.924 6.108 1.00 0.00 C ATOM 889 NZ LYS A 54 1.648 8.004 7.074 1.00 0.00 N ATOM 0 H LYS A 54 2.512 11.966 2.824 1.00 0.00 H new ATOM 0 HA LYS A 54 5.001 11.705 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.229 9.678 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.586 9.258 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.759 11.094 5.087 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.921 9.662 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.545 9.097 5.779 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.385 9.839 6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.403 7.589 5.140 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.494 7.177 6.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.195 7.071 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.007 8.299 8.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.951 8.698 6.737 1.00 0.00 H new ATOM 903 N LEU A 55 5.012 11.355 0.874 1.00 0.00 N ATOM 904 CA LEU A 55 5.868 11.224 -0.300 1.00 0.00 C ATOM 905 C LEU A 55 6.985 12.262 -0.281 1.00 0.00 C ATOM 906 O LEU A 55 8.084 12.015 -0.774 1.00 0.00 O ATOM 907 CB LEU A 55 5.041 11.381 -1.575 1.00 0.00 C ATOM 908 CG LEU A 55 3.981 10.301 -1.810 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.868 10.001 -3.289 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.308 9.027 -1.042 1.00 0.00 C ATOM 0 H LEU A 55 4.042 11.591 0.663 1.00 0.00 H new ATOM 0 HA LEU A 55 6.318 10.231 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.546 12.352 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.719 11.392 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 55 3.027 10.679 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.112 9.232 -3.448 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.582 10.907 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.829 9.648 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.536 8.281 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.273 8.642 -1.370 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.349 9.246 0.025 1.00 0.00 H new ATOM 922 N GLY A 56 6.689 13.427 0.288 1.00 0.00 N ATOM 923 CA GLY A 56 7.673 14.494 0.360 1.00 0.00 C ATOM 924 C GLY A 56 7.255 15.715 -0.437 1.00 0.00 C ATOM 925 O GLY A 56 7.663 16.834 -0.131 1.00 0.00 O ATOM 0 H GLY A 56 5.784 13.652 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.824 14.777 1.402 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.630 14.129 -0.013 1.00 0.00 H new ATOM 929 N ARG A 57 6.437 15.496 -1.464 1.00 0.00 N ATOM 930 CA ARG A 57 5.958 16.584 -2.311 1.00 0.00 C ATOM 931 C ARG A 57 4.432 16.604 -2.350 1.00 0.00 C ATOM 932 O ARG A 57 3.774 15.965 -1.529 1.00 0.00 O ATOM 933 CB ARG A 57 6.519 16.438 -3.728 1.00 0.00 C ATOM 934 CG ARG A 57 8.015 16.168 -3.765 1.00 0.00 C ATOM 935 CD ARG A 57 8.815 17.429 -3.486 1.00 0.00 C ATOM 936 NE ARG A 57 10.052 17.144 -2.765 1.00 0.00 N ATOM 937 CZ ARG A 57 10.973 18.063 -2.478 1.00 0.00 C ATOM 938 NH1 ARG A 57 10.798 19.326 -2.851 1.00 0.00 N ATOM 939 NH2 ARG A 57 12.069 17.720 -1.817 1.00 0.00 N ATOM 0 H ARG A 57 6.092 14.574 -1.729 1.00 0.00 H new ATOM 0 HA ARG A 57 6.305 17.527 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.999 15.625 -4.234 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.309 17.349 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.267 15.406 -3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.290 15.770 -4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.050 17.925 -4.428 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.208 18.122 -2.904 1.00 0.00 H new ATOM 0 HE ARG A 57 10.221 16.185 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.956 19.596 -3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.506 20.026 -2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.208 16.752 -1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 57 12.774 18.424 -1.598 1.00 0.00 H new ATOM 953 N ASP A 58 3.874 17.341 -3.305 1.00 0.00 N ATOM 954 CA ASP A 58 2.426 17.442 -3.442 1.00 0.00 C ATOM 955 C ASP A 58 1.926 16.593 -4.607 1.00 0.00 C ATOM 956 O ASP A 58 0.803 16.089 -4.583 1.00 0.00 O ATOM 957 CB ASP A 58 2.012 18.901 -3.646 1.00 0.00 C ATOM 958 CG ASP A 58 2.239 19.744 -2.407 1.00 0.00 C ATOM 959 OD1 ASP A 58 3.406 20.093 -2.131 1.00 0.00 O ATOM 960 OD2 ASP A 58 1.249 20.056 -1.711 1.00 0.00 O ATOM 0 H ASP A 58 4.402 17.876 -3.994 1.00 0.00 H new ATOM 0 HA ASP A 58 1.974 17.067 -2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.576 19.323 -4.478 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.958 18.942 -3.922 1.00 0.00 H new ATOM 965 N THR A 59 2.765 16.442 -5.627 1.00 0.00 N ATOM 966 CA THR A 59 2.405 15.657 -6.802 1.00 0.00 C ATOM 967 C THR A 59 2.863 14.208 -6.658 1.00 0.00 C ATOM 968 O THR A 59 3.608 13.871 -5.737 1.00 0.00 O ATOM 969 CB THR A 59 3.019 16.273 -8.060 1.00 0.00 C ATOM 970 OG1 THR A 59 2.810 15.436 -9.183 1.00 0.00 O ATOM 971 CG2 THR A 59 4.507 16.519 -7.940 1.00 0.00 C ATOM 0 H THR A 59 3.698 16.853 -5.663 1.00 0.00 H new ATOM 0 HA THR A 59 1.319 15.666 -6.891 1.00 0.00 H new ATOM 0 HB THR A 59 2.517 17.233 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.209 15.849 -9.977 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.879 16.957 -8.866 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.697 17.203 -7.113 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.018 15.574 -7.754 1.00 0.00 H new ATOM 979 N GLN A 60 2.414 13.358 -7.576 1.00 0.00 N ATOM 980 CA GLN A 60 2.775 11.944 -7.560 1.00 0.00 C ATOM 981 C GLN A 60 3.656 11.599 -8.756 1.00 0.00 C ATOM 982 O GLN A 60 3.165 11.407 -9.869 1.00 0.00 O ATOM 983 CB GLN A 60 1.519 11.073 -7.576 1.00 0.00 C ATOM 984 CG GLN A 60 0.462 11.545 -8.560 1.00 0.00 C ATOM 985 CD GLN A 60 -0.529 12.508 -7.936 1.00 0.00 C ATOM 986 OE1 GLN A 60 -0.163 13.603 -7.510 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.793 12.104 -7.881 1.00 0.00 N ATOM 0 H GLN A 60 1.797 13.625 -8.343 1.00 0.00 H new ATOM 0 HA GLN A 60 3.333 11.748 -6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.801 10.049 -7.822 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.088 11.053 -6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.949 12.029 -9.406 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.075 10.681 -8.953 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.052 11.188 -8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.505 12.710 -7.473 1.00 0.00 H new ATOM 996 N ILE A 61 4.956 11.524 -8.514 1.00 0.00 N ATOM 997 CA ILE A 61 5.917 11.207 -9.565 1.00 0.00 C ATOM 998 C ILE A 61 5.739 9.781 -10.068 1.00 0.00 C ATOM 999 O ILE A 61 6.451 8.868 -9.647 1.00 0.00 O ATOM 1000 CB ILE A 61 7.367 11.392 -9.077 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.540 12.767 -8.428 1.00 0.00 C ATOM 1002 CG2 ILE A 61 8.341 11.221 -10.233 1.00 0.00 C ATOM 1003 CD1 ILE A 61 8.945 13.032 -7.933 1.00 0.00 C ATOM 0 H ILE A 61 5.373 11.679 -7.596 1.00 0.00 H new ATOM 0 HA ILE A 61 5.726 11.901 -10.383 1.00 0.00 H new ATOM 0 HB ILE A 61 7.582 10.629 -8.329 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.267 13.537 -9.150 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.847 12.854 -7.591 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.361 11.355 -9.872 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.233 10.222 -10.655 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.128 11.964 -11.001 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.992 14.025 -7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.215 12.285 -7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 61 9.642 12.978 -8.769 1.00 0.00 H new ATOM 1015 N GLY A 62 4.788 9.596 -10.975 1.00 0.00 N ATOM 1016 CA GLY A 62 4.532 8.279 -11.531 1.00 0.00 C ATOM 1017 C GLY A 62 4.261 7.238 -10.464 1.00 0.00 C ATOM 1018 O GLY A 62 4.478 6.046 -10.683 1.00 0.00 O ATOM 0 H GLY A 62 4.187 10.336 -11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.677 8.333 -12.205 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.390 7.968 -12.127 1.00 0.00 H new ATOM 1022 N LEU A 63 3.789 7.687 -9.307 1.00 0.00 N ATOM 1023 CA LEU A 63 3.487 6.792 -8.206 1.00 0.00 C ATOM 1024 C LEU A 63 2.428 5.768 -8.589 1.00 0.00 C ATOM 1025 O LEU A 63 1.627 5.995 -9.497 1.00 0.00 O ATOM 1026 CB LEU A 63 3.035 7.597 -7.011 1.00 0.00 C ATOM 1027 CG LEU A 63 3.568 7.075 -5.691 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.746 7.905 -5.214 1.00 0.00 C ATOM 1029 CD2 LEU A 63 2.459 7.064 -4.678 1.00 0.00 C ATOM 0 H LEU A 63 3.608 8.671 -9.110 1.00 0.00 H new ATOM 0 HA LEU A 63 4.394 6.242 -7.953 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.354 8.631 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.946 7.601 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 63 3.930 6.056 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.109 7.510 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.545 7.863 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.431 8.940 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.838 6.689 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.079 8.077 -4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.654 6.418 -5.027 1.00 0.00 H new ATOM 1041 N THR A 64 2.432 4.638 -7.891 1.00 0.00 N ATOM 1042 CA THR A 64 1.474 3.574 -8.168 1.00 0.00 C ATOM 1043 C THR A 64 1.039 2.850 -6.898 1.00 0.00 C ATOM 1044 O THR A 64 1.613 3.041 -5.824 1.00 0.00 O ATOM 1045 CB THR A 64 2.077 2.570 -9.151 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.267 2.008 -8.627 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.408 3.175 -10.498 1.00 0.00 C ATOM 0 H THR A 64 3.084 4.435 -7.133 1.00 0.00 H new ATOM 0 HA THR A 64 0.590 4.037 -8.606 1.00 0.00 H new ATOM 0 HB THR A 64 1.310 1.809 -9.293 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.637 1.367 -9.270 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.832 2.409 -11.147 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.500 3.573 -10.951 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.131 3.980 -10.367 1.00 0.00 H new ATOM 1055 N MET A 65 0.020 2.008 -7.039 1.00 0.00 N ATOM 1056 CA MET A 65 -0.504 1.234 -5.924 1.00 0.00 C ATOM 1057 C MET A 65 -0.297 -0.257 -6.163 1.00 0.00 C ATOM 1058 O MET A 65 -0.186 -0.697 -7.307 1.00 0.00 O ATOM 1059 CB MET A 65 -1.992 1.534 -5.725 1.00 0.00 C ATOM 1060 CG MET A 65 -2.297 3.012 -5.549 1.00 0.00 C ATOM 1061 SD MET A 65 -3.838 3.502 -6.346 1.00 0.00 S ATOM 1062 CE MET A 65 -3.607 5.273 -6.470 1.00 0.00 C ATOM 0 H MET A 65 -0.461 1.845 -7.923 1.00 0.00 H new ATOM 0 HA MET A 65 0.037 1.519 -5.022 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.548 1.157 -6.583 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.350 0.991 -4.850 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.353 3.243 -4.485 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.477 3.600 -5.960 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.480 5.721 -6.944 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.479 5.694 -5.473 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.721 5.483 -7.069 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.233 -1.061 -5.088 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.358 -0.588 -3.706 1.00 0.00 C ATOM 1074 C PRO A 66 0.912 0.085 -3.199 1.00 0.00 C ATOM 1075 O PRO A 66 2.024 -0.353 -3.493 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.631 -1.873 -2.904 1.00 0.00 C ATOM 1077 CG PRO A 66 -0.804 -2.955 -3.920 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.044 -2.511 -5.131 1.00 0.00 C ATOM 0 HA PRO A 66 -1.139 0.166 -3.612 1.00 0.00 H new ATOM 0 HB2 PRO A 66 0.196 -2.097 -2.230 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.524 -1.768 -2.288 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.422 -3.905 -3.547 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.858 -3.105 -4.154 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.009 -2.788 -5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.442 -2.948 -6.047 1.00 0.00 H new ATOM 1086 N GLN A 67 0.732 1.142 -2.413 1.00 0.00 N ATOM 1087 CA GLN A 67 1.856 1.869 -1.840 1.00 0.00 C ATOM 1088 C GLN A 67 2.028 1.489 -0.377 1.00 0.00 C ATOM 1089 O GLN A 67 1.140 1.717 0.439 1.00 0.00 O ATOM 1090 CB GLN A 67 1.641 3.377 -1.973 1.00 0.00 C ATOM 1091 CG GLN A 67 2.402 3.998 -3.130 1.00 0.00 C ATOM 1092 CD GLN A 67 3.654 4.724 -2.680 1.00 0.00 C ATOM 1093 OE1 GLN A 67 3.820 5.023 -1.498 1.00 0.00 O ATOM 1094 NE2 GLN A 67 4.547 5.001 -3.622 1.00 0.00 N ATOM 0 H GLN A 67 -0.183 1.513 -2.159 1.00 0.00 H new ATOM 0 HA GLN A 67 2.761 1.600 -2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.577 3.574 -2.101 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.946 3.862 -1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.674 3.218 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.751 4.696 -3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.367 4.734 -4.590 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.413 5.481 -3.378 1.00 0.00 H new ATOM 1103 N VAL A 68 3.161 0.891 -0.049 1.00 0.00 N ATOM 1104 CA VAL A 68 3.412 0.476 1.320 1.00 0.00 C ATOM 1105 C VAL A 68 4.139 1.553 2.107 1.00 0.00 C ATOM 1106 O VAL A 68 4.875 2.364 1.547 1.00 0.00 O ATOM 1107 CB VAL A 68 4.220 -0.836 1.388 1.00 0.00 C ATOM 1108 CG1 VAL A 68 4.104 -1.459 2.770 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.757 -1.814 0.317 1.00 0.00 C ATOM 0 H VAL A 68 3.914 0.684 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 68 2.433 0.306 1.769 1.00 0.00 H new ATOM 0 HB VAL A 68 5.268 -0.602 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.680 -2.384 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.491 -0.765 3.516 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.058 -1.675 2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.341 -2.732 0.385 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.702 -2.044 0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.896 -1.368 -0.668 1.00 0.00 H new ATOM 1119 N PHE A 69 3.926 1.546 3.419 1.00 0.00 N ATOM 1120 CA PHE A 69 4.555 2.515 4.304 1.00 0.00 C ATOM 1121 C PHE A 69 4.921 1.866 5.636 1.00 0.00 C ATOM 1122 O PHE A 69 4.168 1.050 6.169 1.00 0.00 O ATOM 1123 CB PHE A 69 3.619 3.701 4.534 1.00 0.00 C ATOM 1124 CG PHE A 69 3.648 4.696 3.413 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.832 4.534 2.304 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.505 5.780 3.459 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.868 5.440 1.261 1.00 0.00 C ATOM 1128 CE2 PHE A 69 4.547 6.692 2.420 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.726 6.523 1.318 1.00 0.00 C ATOM 0 H PHE A 69 3.320 0.876 3.893 1.00 0.00 H new ATOM 0 HA PHE A 69 5.470 2.873 3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.601 3.334 4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.895 4.200 5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.160 3.690 2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.149 5.916 4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.227 5.302 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.220 7.535 2.468 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.756 7.234 0.506 1.00 0.00 H new ATOM 1139 N ALA A 70 6.090 2.222 6.158 1.00 0.00 N ATOM 1140 CA ALA A 70 6.573 1.667 7.418 1.00 0.00 C ATOM 1141 C ALA A 70 5.564 1.871 8.549 1.00 0.00 C ATOM 1142 O ALA A 70 4.637 2.672 8.428 1.00 0.00 O ATOM 1143 CB ALA A 70 7.911 2.293 7.784 1.00 0.00 C ATOM 0 H ALA A 70 6.723 2.895 5.726 1.00 0.00 H new ATOM 0 HA ALA A 70 6.703 0.593 7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.264 1.873 8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.637 2.084 6.999 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.791 3.371 7.890 1.00 0.00 H new ATOM 1149 N PRO A 71 5.741 1.150 9.673 1.00 0.00 N ATOM 1150 CA PRO A 71 4.854 1.263 10.838 1.00 0.00 C ATOM 1151 C PRO A 71 4.839 2.678 11.407 1.00 0.00 C ATOM 1152 O PRO A 71 3.878 3.086 12.059 1.00 0.00 O ATOM 1153 CB PRO A 71 5.455 0.285 11.855 1.00 0.00 C ATOM 1154 CG PRO A 71 6.855 0.057 11.399 1.00 0.00 C ATOM 1155 CD PRO A 71 6.827 0.181 9.904 1.00 0.00 C ATOM 0 HA PRO A 71 3.818 1.039 10.583 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.432 0.701 12.862 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.893 -0.649 11.883 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.533 0.789 11.839 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.209 -0.928 11.702 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.778 0.539 9.511 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.623 -0.776 9.423 1.00 0.00 H new ATOM 1163 N ASP A 72 5.915 3.420 11.160 1.00 0.00 N ATOM 1164 CA ASP A 72 6.033 4.790 11.649 1.00 0.00 C ATOM 1165 C ASP A 72 5.501 5.791 10.626 1.00 0.00 C ATOM 1166 O ASP A 72 5.073 6.889 10.983 1.00 0.00 O ATOM 1167 CB ASP A 72 7.491 5.107 11.982 1.00 0.00 C ATOM 1168 CG ASP A 72 7.686 5.469 13.440 1.00 0.00 C ATOM 1169 OD1 ASP A 72 7.125 6.497 13.878 1.00 0.00 O ATOM 1170 OD2 ASP A 72 8.399 4.726 14.147 1.00 0.00 O ATOM 0 H ASP A 72 6.719 3.095 10.623 1.00 0.00 H new ATOM 0 HA ASP A 72 5.431 4.877 12.553 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.112 4.245 11.739 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.832 5.932 11.357 1.00 0.00 H new ATOM 1175 N GLY A 73 5.533 5.410 9.352 1.00 0.00 N ATOM 1176 CA GLY A 73 5.050 6.293 8.308 1.00 0.00 C ATOM 1177 C GLY A 73 6.026 6.441 7.154 1.00 0.00 C ATOM 1178 O GLY A 73 5.703 7.061 6.141 1.00 0.00 O ATOM 0 H GLY A 73 5.883 4.509 9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.102 5.912 7.928 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.850 7.276 8.735 1.00 0.00 H new ATOM 1182 N SER A 74 7.220 5.874 7.300 1.00 0.00 N ATOM 1183 CA SER A 74 8.232 5.953 6.252 1.00 0.00 C ATOM 1184 C SER A 74 7.736 5.289 4.972 1.00 0.00 C ATOM 1185 O SER A 74 6.879 4.408 5.017 1.00 0.00 O ATOM 1186 CB SER A 74 9.531 5.289 6.715 1.00 0.00 C ATOM 1187 OG SER A 74 9.651 5.331 8.125 1.00 0.00 O ATOM 0 H SER A 74 7.510 5.357 8.130 1.00 0.00 H new ATOM 0 HA SER A 74 8.426 7.005 6.045 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.555 4.253 6.376 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.383 5.793 6.259 1.00 0.00 H new ATOM 0 HG SER A 74 10.488 4.899 8.395 1.00 0.00 H new ATOM 1193 N HIS A 75 8.276 5.715 3.835 1.00 0.00 N ATOM 1194 CA HIS A 75 7.884 5.157 2.545 1.00 0.00 C ATOM 1195 C HIS A 75 8.765 3.970 2.174 1.00 0.00 C ATOM 1196 O HIS A 75 9.980 4.109 2.023 1.00 0.00 O ATOM 1197 CB HIS A 75 7.966 6.227 1.455 1.00 0.00 C ATOM 1198 CG HIS A 75 7.497 5.751 0.115 1.00 0.00 C ATOM 1199 ND1 HIS A 75 8.155 6.016 -1.066 1.00 0.00 N ATOM 1200 CD2 HIS A 75 6.410 5.010 -0.220 1.00 0.00 C ATOM 1201 CE1 HIS A 75 7.463 5.442 -2.060 1.00 0.00 C ATOM 1202 NE2 HIS A 75 6.394 4.819 -1.599 1.00 0.00 N ATOM 0 H HIS A 75 8.986 6.445 3.780 1.00 0.00 H new ATOM 0 HA HIS A 75 6.854 4.810 2.627 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.368 7.087 1.756 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.997 6.569 1.370 1.00 0.00 H new ATOM 0 HD1 HIS A 75 9.016 6.554 -1.166 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.674 4.629 0.473 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.743 5.484 -3.102 1.00 0.00 H new ATOM 1210 N ILE A 76 8.147 2.803 2.028 1.00 0.00 N ATOM 1211 CA ILE A 76 8.875 1.590 1.673 1.00 0.00 C ATOM 1212 C ILE A 76 8.793 1.327 0.175 1.00 0.00 C ATOM 1213 O ILE A 76 9.804 1.062 -0.476 1.00 0.00 O ATOM 1214 CB ILE A 76 8.328 0.364 2.433 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.389 0.605 3.939 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.105 -0.893 2.063 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.392 -0.220 4.716 1.00 0.00 C ATOM 0 H ILE A 76 7.143 2.671 2.150 1.00 0.00 H new ATOM 0 HA ILE A 76 9.916 1.746 1.957 1.00 0.00 H new ATOM 0 HB ILE A 76 7.287 0.217 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.394 0.379 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.210 1.662 4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.702 -1.745 2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.014 -1.075 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.156 -0.760 2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.488 -0.001 5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.382 0.023 4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.584 -1.279 4.545 1.00 0.00 H new ATOM 1229 N GLY A 77 7.583 1.396 -0.366 1.00 0.00 N ATOM 1230 CA GLY A 77 7.395 1.163 -1.785 1.00 0.00 C ATOM 1231 C GLY A 77 6.224 0.248 -2.079 1.00 0.00 C ATOM 1232 O GLY A 77 5.301 0.129 -1.276 1.00 0.00 O ATOM 0 H GLY A 77 6.730 1.609 0.151 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.240 2.117 -2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.304 0.728 -2.201 1.00 0.00 H new ATOM 1236 N GLY A 78 6.260 -0.389 -3.244 1.00 0.00 N ATOM 1237 CA GLY A 78 5.186 -1.286 -3.635 1.00 0.00 C ATOM 1238 C GLY A 78 5.460 -2.730 -3.262 1.00 0.00 C ATOM 1239 O GLY A 78 6.005 -3.009 -2.193 1.00 0.00 O ATOM 0 H GLY A 78 7.014 -0.301 -3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.259 -0.963 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.035 -1.216 -4.712 1.00 0.00 H new ATOM 1243 N PHE A 79 5.077 -3.650 -4.143 1.00 0.00 N ATOM 1244 CA PHE A 79 5.281 -5.073 -3.897 1.00 0.00 C ATOM 1245 C PHE A 79 6.765 -5.424 -3.915 1.00 0.00 C ATOM 1246 O PHE A 79 7.353 -5.725 -2.877 1.00 0.00 O ATOM 1247 CB PHE A 79 4.534 -5.907 -4.939 1.00 0.00 C ATOM 1248 CG PHE A 79 4.612 -7.386 -4.687 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.292 -7.905 -3.444 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.014 -8.255 -5.690 1.00 0.00 C ATOM 1251 CE1 PHE A 79 4.367 -9.264 -3.204 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.093 -9.615 -5.456 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.769 -10.120 -4.211 1.00 0.00 C ATOM 0 H PHE A 79 4.625 -3.436 -5.032 1.00 0.00 H new ATOM 0 HA PHE A 79 4.885 -5.303 -2.908 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.487 -5.603 -4.954 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.943 -5.692 -5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 79 3.980 -7.240 -2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.268 -7.865 -6.665 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.112 -9.656 -2.231 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.407 -10.282 -6.245 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.830 -11.182 -4.026 1.00 0.00 H new ATOM 1263 N ASP A 80 7.369 -5.378 -5.100 1.00 0.00 N ATOM 1264 CA ASP A 80 8.787 -5.690 -5.245 1.00 0.00 C ATOM 1265 C ASP A 80 9.631 -4.763 -4.379 1.00 0.00 C ATOM 1266 O ASP A 80 10.520 -5.207 -3.651 1.00 0.00 O ATOM 1267 CB ASP A 80 9.213 -5.566 -6.710 1.00 0.00 C ATOM 1268 CG ASP A 80 10.550 -6.230 -6.980 1.00 0.00 C ATOM 1269 OD1 ASP A 80 10.605 -7.477 -6.970 1.00 0.00 O ATOM 1270 OD2 ASP A 80 11.540 -5.502 -7.200 1.00 0.00 O ATOM 0 H ASP A 80 6.900 -5.128 -5.971 1.00 0.00 H new ATOM 0 HA ASP A 80 8.946 -6.717 -4.916 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.451 -6.016 -7.347 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.272 -4.512 -6.981 1.00 0.00 H new ATOM 1275 N GLN A 81 9.338 -3.466 -4.458 1.00 0.00 N ATOM 1276 CA GLN A 81 10.062 -2.472 -3.677 1.00 0.00 C ATOM 1277 C GLN A 81 10.092 -2.869 -2.206 1.00 0.00 C ATOM 1278 O GLN A 81 11.091 -2.668 -1.517 1.00 0.00 O ATOM 1279 CB GLN A 81 9.411 -1.097 -3.834 1.00 0.00 C ATOM 1280 CG GLN A 81 10.392 0.059 -3.716 1.00 0.00 C ATOM 1281 CD GLN A 81 10.055 1.207 -4.648 1.00 0.00 C ATOM 1282 OE1 GLN A 81 9.412 1.015 -5.681 1.00 0.00 O ATOM 1283 NE2 GLN A 81 10.489 2.409 -4.288 1.00 0.00 N ATOM 0 H GLN A 81 8.605 -3.082 -5.055 1.00 0.00 H new ATOM 0 HA GLN A 81 11.086 -2.422 -4.047 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.918 -1.046 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.635 -0.983 -3.077 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.400 0.421 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.398 -0.299 -3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.018 2.522 -3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.293 3.219 -4.876 1.00 0.00 H new ATOM 1292 N LEU A 82 8.990 -3.445 -1.736 1.00 0.00 N ATOM 1293 CA LEU A 82 8.893 -3.880 -0.351 1.00 0.00 C ATOM 1294 C LEU A 82 9.708 -5.142 -0.113 1.00 0.00 C ATOM 1295 O LEU A 82 10.316 -5.301 0.943 1.00 0.00 O ATOM 1296 CB LEU A 82 7.447 -4.112 0.050 1.00 0.00 C ATOM 1297 CG LEU A 82 7.292 -4.632 1.472 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.177 -3.912 2.198 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.065 -6.126 1.448 1.00 0.00 C ATOM 0 H LEU A 82 8.154 -3.620 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 82 9.301 -3.082 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.895 -3.177 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.995 -4.824 -0.641 1.00 0.00 H new ATOM 0 HG LEU A 82 8.211 -4.432 2.022 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.090 -4.304 3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.399 -2.846 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.238 -4.066 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.955 -6.494 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.160 -6.347 0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.917 -6.616 0.976 1.00 0.00 H new ATOM 1311 N ARG A 83 9.744 -6.032 -1.100 1.00 0.00 N ATOM 1312 CA ARG A 83 10.523 -7.259 -0.970 1.00 0.00 C ATOM 1313 C ARG A 83 11.946 -6.903 -0.559 1.00 0.00 C ATOM 1314 O ARG A 83 12.603 -7.650 0.164 1.00 0.00 O ATOM 1315 CB ARG A 83 10.529 -8.038 -2.287 1.00 0.00 C ATOM 1316 CG ARG A 83 10.497 -9.547 -2.102 1.00 0.00 C ATOM 1317 CD ARG A 83 9.668 -10.224 -3.182 1.00 0.00 C ATOM 1318 NE ARG A 83 10.297 -11.451 -3.666 1.00 0.00 N ATOM 1319 CZ ARG A 83 9.647 -12.406 -4.328 1.00 0.00 C ATOM 1320 NH1 ARG A 83 8.350 -12.281 -4.585 1.00 0.00 N ATOM 1321 NH2 ARG A 83 10.294 -13.489 -4.733 1.00 0.00 N ATOM 0 H ARG A 83 9.250 -5.930 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 83 10.070 -7.893 -0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.668 -7.735 -2.883 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.420 -7.769 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.514 -9.939 -2.123 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.084 -9.786 -1.122 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.678 -10.455 -2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.527 -9.536 -4.015 1.00 0.00 H new ATOM 0 HE ARG A 83 11.292 -11.584 -3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.846 -11.450 -4.275 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.858 -13.016 -5.093 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.290 -13.591 -4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.796 -14.221 -5.240 1.00 0.00 H new ATOM 1335 N GLU A 84 12.398 -5.732 -1.005 1.00 0.00 N ATOM 1336 CA GLU A 84 13.726 -5.245 -0.661 1.00 0.00 C ATOM 1337 C GLU A 84 13.772 -4.898 0.822 1.00 0.00 C ATOM 1338 O GLU A 84 14.803 -5.045 1.477 1.00 0.00 O ATOM 1339 CB GLU A 84 14.081 -4.017 -1.502 1.00 0.00 C ATOM 1340 CG GLU A 84 15.543 -3.962 -1.911 1.00 0.00 C ATOM 1341 CD GLU A 84 15.735 -3.449 -3.324 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.367 -4.173 -4.273 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.252 -2.323 -3.483 1.00 0.00 O ATOM 0 H GLU A 84 11.862 -5.105 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 84 14.456 -6.026 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.461 -4.009 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.836 -3.117 -0.938 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.086 -3.319 -1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.977 -4.958 -1.828 1.00 0.00 H new ATOM 1350 N TYR A 85 12.632 -4.455 1.350 1.00 0.00 N ATOM 1351 CA TYR A 85 12.518 -4.108 2.758 1.00 0.00 C ATOM 1352 C TYR A 85 12.561 -5.375 3.609 1.00 0.00 C ATOM 1353 O TYR A 85 12.985 -5.351 4.765 1.00 0.00 O ATOM 1354 CB TYR A 85 11.209 -3.352 2.993 1.00 0.00 C ATOM 1355 CG TYR A 85 11.025 -2.850 4.405 1.00 0.00 C ATOM 1356 CD1 TYR A 85 10.735 -3.725 5.441 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.130 -1.497 4.697 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.555 -3.267 6.732 1.00 0.00 C ATOM 1359 CE2 TYR A 85 10.954 -1.030 5.985 1.00 0.00 C ATOM 1360 CZ TYR A 85 10.665 -1.918 6.998 1.00 0.00 C ATOM 1361 OH TYR A 85 10.487 -1.458 8.282 1.00 0.00 O ATOM 0 H TYR A 85 11.772 -4.329 0.817 1.00 0.00 H new ATOM 0 HA TYR A 85 13.353 -3.468 3.044 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.166 -2.504 2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.375 -4.007 2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.648 -4.782 5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.353 -0.798 3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.330 -3.961 7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.042 0.025 6.197 1.00 0.00 H new ATOM 0 HH TYR A 85 10.599 -0.485 8.299 1.00 0.00 H new ATOM 1371 N PHE A 86 12.116 -6.481 3.016 1.00 0.00 N ATOM 1372 CA PHE A 86 12.090 -7.776 3.687 1.00 0.00 C ATOM 1373 C PHE A 86 13.273 -8.656 3.284 1.00 0.00 C ATOM 1374 O PHE A 86 13.547 -9.668 3.928 1.00 0.00 O ATOM 1375 CB PHE A 86 10.772 -8.487 3.379 1.00 0.00 C ATOM 1376 CG PHE A 86 9.652 -8.048 4.275 1.00 0.00 C ATOM 1377 CD1 PHE A 86 9.451 -8.667 5.497 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.815 -7.007 3.908 1.00 0.00 C ATOM 1379 CE1 PHE A 86 8.435 -8.257 6.337 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.794 -6.595 4.745 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.606 -7.221 5.961 1.00 0.00 C ATOM 0 H PHE A 86 11.764 -6.503 2.059 1.00 0.00 H new ATOM 0 HA PHE A 86 12.171 -7.599 4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.496 -8.298 2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.912 -9.563 3.481 1.00 0.00 H new ATOM 0 HD1 PHE A 86 10.096 -9.480 5.796 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.961 -6.512 2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.289 -8.747 7.288 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.145 -5.785 4.448 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.811 -6.900 6.617 1.00 0.00 H new ATOM 1391 N LYS A 87 13.974 -8.270 2.221 1.00 0.00 N ATOM 1392 CA LYS A 87 15.122 -9.037 1.750 1.00 0.00 C ATOM 1393 C LYS A 87 15.803 -8.339 0.577 1.00 0.00 C ATOM 1394 O LYS A 87 16.329 -9.048 -0.309 1.00 0.00 O ATOM 1395 CB LYS A 87 14.686 -10.446 1.342 1.00 0.00 C ATOM 1396 CG LYS A 87 13.530 -10.463 0.356 1.00 0.00 C ATOM 1397 CD LYS A 87 13.041 -11.878 0.095 1.00 0.00 C ATOM 1398 CE LYS A 87 13.717 -12.485 -1.124 1.00 0.00 C ATOM 1399 NZ LYS A 87 12.878 -13.540 -1.757 1.00 0.00 N ATOM 1400 OXT LYS A 87 15.805 -7.092 0.552 1.00 0.00 O ATOM 0 H LYS A 87 13.768 -7.435 1.672 1.00 0.00 H new ATOM 0 HA LYS A 87 15.839 -9.109 2.567 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.536 -10.967 0.902 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.399 -11.002 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 87 12.710 -9.860 0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.844 -10.007 -0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.238 -12.499 0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.961 -11.869 -0.053 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.924 -11.701 -1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.677 -12.911 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.374 -13.928 -2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.701 -14.301 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.972 -13.128 -2.059 1.00 0.00 H new