USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=19 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 7 TYR OH : rot -170:sc= -2.12! USER MOD Set 1.2: A 12 HIS : no HE2:sc= -14.7! C(o=-27!,f=-26!) USER MOD Set 1.3: A 37 MET CE :methyl 162:sc= -10.1! (180deg=-7.04!) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.271 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ -170:sc= -3.87! (180deg=-4.79!) USER MOD Single : A 3 LYS NZ :NH3+ -153:sc= 0.0993 (180deg=-0.138) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.113 USER MOD Single : A 9 SER OG : rot 180:sc= 0.154 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 150:sc= -0.519 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 127:sc= 0.234 USER MOD Single : A 19 ASN : amide:sc= -0.0507 X(o=-0.051,f=-0.12) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 68:sc= 1.28 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -5.71 K(o=-5.7,f=-6.8!) USER MOD Single : A 35 ASN : amide:sc= -1.65 K(o=-1.7,f=-5.9!) 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= -0.311 USER MOD Single : A 60 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.0031) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -147:sc= -0.217 (180deg=-1.14) USER MOD Single : A 67 GLN : amide:sc= -3.33 K(o=-3.3,f=-7.9!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -2.53! C(o=-2.5!,f=-6.5!) USER MOD Single : A 81 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.31) 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 3.676 -3.331 11.745 1.00 0.00 N ATOM 2 CA MET A 1 2.485 -3.327 10.854 1.00 0.00 C ATOM 3 C MET A 1 2.691 -2.474 9.618 1.00 0.00 C ATOM 4 O MET A 1 2.693 -1.248 9.687 1.00 0.00 O ATOM 5 CB MET A 1 1.293 -2.804 11.643 1.00 0.00 C ATOM 6 CG MET A 1 -0.055 -3.180 11.058 1.00 0.00 C ATOM 7 SD MET A 1 -1.429 -2.640 12.093 1.00 0.00 S ATOM 8 CE MET A 1 -1.032 -3.459 13.636 1.00 0.00 C ATOM 0 H1 MET A 1 3.555 -4.054 12.483 1.00 0.00 H new ATOM 0 H2 MET A 1 4.527 -3.545 11.186 1.00 0.00 H new ATOM 0 H3 MET A 1 3.780 -2.397 12.189 1.00 0.00 H new ATOM 0 HA MET A 1 2.312 -4.348 10.513 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.352 -3.184 12.663 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.360 -1.718 11.703 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.154 -2.737 10.067 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.103 -4.261 10.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.944 -3.606 14.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.575 -4.426 13.427 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.336 -2.844 14.206 1.00 0.00 H new ATOM 20 N PHE A 2 2.836 -3.135 8.480 1.00 0.00 N ATOM 21 CA PHE A 2 3.019 -2.436 7.223 1.00 0.00 C ATOM 22 C PHE A 2 1.692 -1.883 6.735 1.00 0.00 C ATOM 23 O PHE A 2 0.641 -2.488 6.943 1.00 0.00 O ATOM 24 CB PHE A 2 3.622 -3.371 6.176 1.00 0.00 C ATOM 25 CG PHE A 2 5.050 -3.738 6.461 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.352 -4.847 7.232 1.00 0.00 C ATOM 27 CD2 PHE A 2 6.088 -2.973 5.960 1.00 0.00 C ATOM 28 CE1 PHE A 2 6.664 -5.186 7.499 1.00 0.00 C ATOM 29 CE2 PHE A 2 7.402 -3.305 6.222 1.00 0.00 C ATOM 30 CZ PHE A 2 7.691 -4.414 6.994 1.00 0.00 C ATOM 0 H PHE A 2 2.830 -4.152 8.404 1.00 0.00 H new ATOM 0 HA PHE A 2 3.708 -1.606 7.382 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.024 -4.281 6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.565 -2.895 5.197 1.00 0.00 H new ATOM 0 HD1 PHE A 2 4.552 -5.454 7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 2 5.868 -2.105 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.886 -6.054 8.102 1.00 0.00 H new ATOM 0 HE2 PHE A 2 8.203 -2.699 5.824 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.718 -4.676 7.202 1.00 0.00 H new ATOM 40 N LYS A 3 1.740 -0.725 6.097 1.00 0.00 N ATOM 41 CA LYS A 3 0.536 -0.088 5.589 1.00 0.00 C ATOM 42 C LYS A 3 0.470 -0.199 4.075 1.00 0.00 C ATOM 43 O LYS A 3 1.346 0.296 3.370 1.00 0.00 O ATOM 44 CB LYS A 3 0.500 1.382 6.011 1.00 0.00 C ATOM 45 CG LYS A 3 -0.057 1.602 7.408 1.00 0.00 C ATOM 46 CD LYS A 3 1.013 1.405 8.470 1.00 0.00 C ATOM 47 CE LYS A 3 0.879 2.421 9.593 1.00 0.00 C ATOM 48 NZ LYS A 3 1.294 1.856 10.907 1.00 0.00 N ATOM 0 H LYS A 3 2.600 -0.207 5.918 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.329 -0.599 6.011 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.510 1.790 5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.103 1.942 5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.466 2.610 7.484 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.880 0.910 7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.939 0.397 8.879 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.999 1.493 8.015 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.488 3.296 9.365 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.155 2.760 9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.792 2.351 11.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.061 0.843 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.319 1.979 11.029 1.00 0.00 H new ATOM 62 N VAL A 4 -0.569 -0.852 3.575 1.00 0.00 N ATOM 63 CA VAL A 4 -0.724 -1.009 2.138 1.00 0.00 C ATOM 64 C VAL A 4 -1.768 -0.050 1.592 1.00 0.00 C ATOM 65 O VAL A 4 -2.930 -0.073 1.998 1.00 0.00 O ATOM 66 CB VAL A 4 -1.100 -2.450 1.738 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.675 -2.490 0.330 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.111 -3.349 1.821 1.00 0.00 C ATOM 0 H VAL A 4 -1.308 -1.276 4.135 1.00 0.00 H new ATOM 0 HA VAL A 4 0.248 -0.779 1.702 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.860 -2.806 2.434 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.932 -3.517 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.570 -1.869 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.935 -2.112 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.169 -4.363 1.536 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.884 -2.982 1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.493 -3.351 2.842 1.00 0.00 H new ATOM 78 N TYR A 5 -1.341 0.785 0.658 1.00 0.00 N ATOM 79 CA TYR A 5 -2.227 1.748 0.036 1.00 0.00 C ATOM 80 C TYR A 5 -2.706 1.218 -1.308 1.00 0.00 C ATOM 81 O TYR A 5 -1.989 1.287 -2.302 1.00 0.00 O ATOM 82 CB TYR A 5 -1.515 3.094 -0.145 1.00 0.00 C ATOM 83 CG TYR A 5 -1.316 3.872 1.143 1.00 0.00 C ATOM 84 CD1 TYR A 5 -1.252 3.229 2.376 1.00 0.00 C ATOM 85 CD2 TYR A 5 -1.199 5.256 1.124 1.00 0.00 C ATOM 86 CE1 TYR A 5 -1.077 3.942 3.545 1.00 0.00 C ATOM 87 CE2 TYR A 5 -1.026 5.972 2.292 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.966 5.312 3.497 1.00 0.00 C ATOM 89 OH TYR A 5 -0.794 6.026 4.661 1.00 0.00 O ATOM 0 H TYR A 5 -0.381 0.813 0.315 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.090 1.901 0.684 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.542 2.919 -0.604 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.090 3.706 -0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.341 2.154 2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.244 5.780 0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.027 3.426 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.938 7.048 2.259 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.732 6.982 4.453 1.00 0.00 H new ATOM 99 N GLY A 6 -3.913 0.670 -1.325 1.00 0.00 N ATOM 100 CA GLY A 6 -4.461 0.121 -2.549 1.00 0.00 C ATOM 101 C GLY A 6 -5.967 -0.033 -2.477 1.00 0.00 C ATOM 102 O GLY A 6 -6.667 0.870 -2.018 1.00 0.00 O ATOM 0 H GLY A 6 -4.524 0.596 -0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.202 0.770 -3.385 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.006 -0.850 -2.747 1.00 0.00 H new ATOM 106 N TYR A 7 -6.469 -1.175 -2.937 1.00 0.00 N ATOM 107 CA TYR A 7 -7.892 -1.442 -2.930 1.00 0.00 C ATOM 108 C TYR A 7 -8.200 -2.754 -2.218 1.00 0.00 C ATOM 109 O TYR A 7 -7.409 -3.694 -2.263 1.00 0.00 O ATOM 110 CB TYR A 7 -8.392 -1.480 -4.360 1.00 0.00 C ATOM 111 CG TYR A 7 -8.093 -0.198 -5.080 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.826 0.034 -5.594 1.00 0.00 C ATOM 113 CD2 TYR A 7 -9.045 0.809 -5.192 1.00 0.00 C ATOM 114 CE1 TYR A 7 -6.519 1.221 -6.217 1.00 0.00 C ATOM 115 CE2 TYR A 7 -8.737 1.995 -5.805 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.478 2.200 -6.320 1.00 0.00 C ATOM 117 OH TYR A 7 -7.183 3.388 -6.942 1.00 0.00 O ATOM 0 H TYR A 7 -5.902 -1.931 -3.320 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.402 -0.648 -2.385 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.926 -2.312 -4.888 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.467 -1.660 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.068 -0.730 -5.504 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -10.036 0.655 -4.792 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.531 1.383 -6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.484 2.771 -5.884 1.00 0.00 H new ATOM 0 HH TYR A 7 -7.912 4.026 -6.791 1.00 0.00 H new ATOM 127 N ASP A 8 -9.346 -2.808 -1.552 1.00 0.00 N ATOM 128 CA ASP A 8 -9.746 -4.007 -0.827 1.00 0.00 C ATOM 129 C ASP A 8 -11.229 -4.309 -1.045 1.00 0.00 C ATOM 130 O ASP A 8 -11.979 -4.490 -0.087 1.00 0.00 O ATOM 131 CB ASP A 8 -9.461 -3.839 0.672 1.00 0.00 C ATOM 132 CG ASP A 8 -8.601 -4.955 1.233 1.00 0.00 C ATOM 133 OD1 ASP A 8 -8.327 -5.926 0.495 1.00 0.00 O ATOM 134 OD2 ASP A 8 -8.202 -4.860 2.412 1.00 0.00 O ATOM 0 H ASP A 8 -10.013 -2.038 -1.499 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.165 -4.845 -1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.963 -2.884 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.405 -3.805 1.216 1.00 0.00 H new ATOM 139 N SER A 9 -11.654 -4.359 -2.304 1.00 0.00 N ATOM 140 CA SER A 9 -13.055 -4.636 -2.609 1.00 0.00 C ATOM 141 C SER A 9 -13.269 -4.940 -4.090 1.00 0.00 C ATOM 142 O SER A 9 -12.319 -5.049 -4.864 1.00 0.00 O ATOM 143 CB SER A 9 -13.924 -3.448 -2.191 1.00 0.00 C ATOM 144 OG SER A 9 -15.300 -3.784 -2.231 1.00 0.00 O ATOM 0 H SER A 9 -11.059 -4.214 -3.119 1.00 0.00 H new ATOM 0 HA SER A 9 -13.345 -5.522 -2.045 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.653 -3.132 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.733 -2.603 -2.853 1.00 0.00 H new ATOM 0 HG SER A 9 -15.834 -3.009 -1.958 1.00 0.00 H new ATOM 150 N ASN A 10 -14.542 -5.063 -4.465 1.00 0.00 N ATOM 151 CA ASN A 10 -14.940 -5.345 -5.840 1.00 0.00 C ATOM 152 C ASN A 10 -15.061 -4.053 -6.644 1.00 0.00 C ATOM 153 O ASN A 10 -15.445 -4.072 -7.813 1.00 0.00 O ATOM 154 CB ASN A 10 -16.266 -6.110 -5.866 1.00 0.00 C ATOM 155 CG ASN A 10 -16.195 -7.415 -5.093 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.831 -7.566 -4.051 1.00 0.00 O ATOM 157 ND2 ASN A 10 -15.416 -8.366 -5.600 1.00 0.00 N ATOM 0 H ASN A 10 -15.327 -4.969 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.169 -5.964 -6.297 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -17.052 -5.484 -5.445 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -16.543 -6.317 -6.900 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.329 -9.263 -5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.906 -8.199 -6.467 1.00 0.00 H new ATOM 164 N ILE A 11 -14.702 -2.939 -6.013 1.00 0.00 N ATOM 165 CA ILE A 11 -14.738 -1.641 -6.665 1.00 0.00 C ATOM 166 C ILE A 11 -13.440 -1.407 -7.394 1.00 0.00 C ATOM 167 O ILE A 11 -13.323 -0.472 -8.183 1.00 0.00 O ATOM 168 CB ILE A 11 -14.874 -0.486 -5.653 1.00 0.00 C ATOM 169 CG1 ILE A 11 -15.916 -0.799 -4.590 1.00 0.00 C ATOM 170 CG2 ILE A 11 -15.189 0.826 -6.360 1.00 0.00 C ATOM 171 CD1 ILE A 11 -17.337 -0.826 -5.111 1.00 0.00 C ATOM 0 H ILE A 11 -14.381 -2.913 -5.045 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.598 -1.653 -7.335 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.914 -0.374 -5.149 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -15.685 -1.766 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.845 -0.056 -3.796 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.280 1.624 -5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.386 1.066 -7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.127 0.729 -6.907 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -18.020 -1.056 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.589 0.148 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -17.427 -1.589 -5.884 1.00 0.00 H new ATOM 183 N HIS A 12 -12.444 -2.234 -7.097 1.00 0.00 N ATOM 184 CA HIS A 12 -11.150 -2.049 -7.716 1.00 0.00 C ATOM 185 C HIS A 12 -10.322 -3.317 -7.561 1.00 0.00 C ATOM 186 O HIS A 12 -10.104 -3.804 -6.451 1.00 0.00 O ATOM 187 CB HIS A 12 -10.495 -0.868 -7.025 1.00 0.00 C ATOM 188 CG HIS A 12 -9.569 -0.036 -7.850 1.00 0.00 C ATOM 189 ND1 HIS A 12 -8.260 -0.319 -8.110 1.00 0.00 N ATOM 190 CD2 HIS A 12 -9.823 1.136 -8.452 1.00 0.00 C ATOM 191 CE1 HIS A 12 -7.765 0.671 -8.865 1.00 0.00 C ATOM 192 NE2 HIS A 12 -8.680 1.585 -9.103 1.00 0.00 N ATOM 0 H HIS A 12 -12.509 -3.018 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.238 -1.851 -8.784 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.282 -0.220 -6.640 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.940 -1.242 -6.164 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -7.748 -1.140 -7.787 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.772 1.652 -8.433 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.749 0.713 -9.230 1.00 0.00 H new ATOM 200 N LYS A 13 -9.898 -3.848 -8.688 1.00 0.00 N ATOM 201 CA LYS A 13 -9.116 -5.090 -8.729 1.00 0.00 C ATOM 202 C LYS A 13 -7.737 -4.936 -8.086 1.00 0.00 C ATOM 203 O LYS A 13 -7.294 -3.828 -7.792 1.00 0.00 O ATOM 204 CB LYS A 13 -8.971 -5.579 -10.172 1.00 0.00 C ATOM 205 CG LYS A 13 -9.947 -6.688 -10.533 1.00 0.00 C ATOM 206 CD LYS A 13 -9.420 -8.053 -10.114 1.00 0.00 C ATOM 207 CE LYS A 13 -8.620 -8.705 -11.229 1.00 0.00 C ATOM 208 NZ LYS A 13 -9.474 -9.578 -12.078 1.00 0.00 N ATOM 0 H LYS A 13 -10.079 -3.441 -9.606 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.663 -5.830 -8.145 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.120 -4.738 -10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.953 -5.936 -10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.906 -6.502 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.127 -6.680 -11.608 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.793 -7.946 -9.229 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.254 -8.698 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.160 -7.934 -11.847 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.810 -9.294 -10.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.895 -10.006 -12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.893 -10.329 -11.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.232 -9.010 -12.507 1.00 0.00 H new ATOM 222 N CYS A 14 -7.065 -6.073 -7.875 1.00 0.00 N ATOM 223 CA CYS A 14 -5.730 -6.097 -7.270 1.00 0.00 C ATOM 224 C CYS A 14 -5.270 -7.536 -7.035 1.00 0.00 C ATOM 225 O CYS A 14 -5.614 -8.146 -6.024 1.00 0.00 O ATOM 226 CB CYS A 14 -5.714 -5.331 -5.942 1.00 0.00 C ATOM 227 SG CYS A 14 -7.243 -5.463 -4.981 1.00 0.00 S ATOM 0 H CYS A 14 -7.428 -6.995 -8.117 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.045 -5.611 -7.964 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.886 -5.698 -5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.518 -4.278 -6.146 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.968 -5.375 -3.714 1.00 0.00 H new ATOM 233 N VAL A 15 -4.493 -8.074 -7.974 1.00 0.00 N ATOM 234 CA VAL A 15 -3.993 -9.448 -7.864 1.00 0.00 C ATOM 235 C VAL A 15 -2.683 -9.511 -7.084 1.00 0.00 C ATOM 236 O VAL A 15 -2.481 -10.409 -6.267 1.00 0.00 O ATOM 237 CB VAL A 15 -3.771 -10.089 -9.250 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.086 -10.215 -10.000 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.759 -9.295 -10.063 1.00 0.00 C ATOM 0 H VAL A 15 -4.196 -7.583 -8.817 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.761 -10.006 -7.328 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.367 -11.090 -9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.907 -10.669 -10.975 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.772 -10.840 -9.429 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.524 -9.226 -10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.621 -9.769 -11.035 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.123 -8.277 -10.203 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.807 -9.270 -9.534 1.00 0.00 H new ATOM 249 N TYR A 16 -1.793 -8.561 -7.351 1.00 0.00 N ATOM 250 CA TYR A 16 -0.496 -8.515 -6.683 1.00 0.00 C ATOM 251 C TYR A 16 -0.648 -8.357 -5.172 1.00 0.00 C ATOM 252 O TYR A 16 0.281 -8.641 -4.415 1.00 0.00 O ATOM 253 CB TYR A 16 0.347 -7.371 -7.249 1.00 0.00 C ATOM 254 CG TYR A 16 1.452 -7.836 -8.167 1.00 0.00 C ATOM 255 CD1 TYR A 16 1.162 -8.524 -9.339 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.783 -7.590 -7.862 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.171 -8.952 -10.181 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.797 -8.015 -8.698 1.00 0.00 C ATOM 259 CZ TYR A 16 3.486 -8.695 -9.857 1.00 0.00 C ATOM 260 OH TYR A 16 4.492 -9.119 -10.692 1.00 0.00 O ATOM 0 H TYR A 16 -1.946 -7.812 -8.026 1.00 0.00 H new ATOM 0 HA TYR A 16 0.009 -9.463 -6.870 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.303 -6.686 -7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.783 -6.809 -6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.133 -8.727 -9.596 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.030 -7.057 -6.956 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.930 -9.485 -11.089 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.828 -7.816 -8.445 1.00 0.00 H new ATOM 0 HH TYR A 16 5.359 -8.857 -10.319 1.00 0.00 H new ATOM 270 N CYS A 17 -1.818 -7.904 -4.734 1.00 0.00 N ATOM 271 CA CYS A 17 -2.075 -7.715 -3.311 1.00 0.00 C ATOM 272 C CYS A 17 -2.022 -9.050 -2.575 1.00 0.00 C ATOM 273 O CYS A 17 -1.224 -9.235 -1.657 1.00 0.00 O ATOM 274 CB CYS A 17 -3.437 -7.055 -3.101 1.00 0.00 C ATOM 275 SG CYS A 17 -3.808 -6.658 -1.376 1.00 0.00 S ATOM 0 H CYS A 17 -2.601 -7.662 -5.341 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.301 -7.063 -2.906 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.480 -6.139 -3.690 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.213 -7.718 -3.485 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.133 -5.403 -1.280 1.00 0.00 H new ATOM 281 N ASP A 18 -2.872 -9.981 -2.995 1.00 0.00 N ATOM 282 CA ASP A 18 -2.927 -11.306 -2.382 1.00 0.00 C ATOM 283 C ASP A 18 -1.536 -11.930 -2.299 1.00 0.00 C ATOM 284 O ASP A 18 -1.182 -12.559 -1.300 1.00 0.00 O ATOM 285 CB ASP A 18 -3.854 -12.219 -3.185 1.00 0.00 C ATOM 286 CG ASP A 18 -4.544 -13.251 -2.315 1.00 0.00 C ATOM 287 OD1 ASP A 18 -5.566 -12.907 -1.685 1.00 0.00 O ATOM 288 OD2 ASP A 18 -4.062 -14.401 -2.262 1.00 0.00 O ATOM 0 H ASP A 18 -3.534 -9.843 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.316 -11.194 -1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.606 -11.614 -3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.278 -12.727 -3.959 1.00 0.00 H new ATOM 293 N ASN A 19 -0.755 -11.755 -3.359 1.00 0.00 N ATOM 294 CA ASN A 19 0.596 -12.305 -3.416 1.00 0.00 C ATOM 295 C ASN A 19 1.497 -11.680 -2.354 1.00 0.00 C ATOM 296 O ASN A 19 2.229 -12.384 -1.655 1.00 0.00 O ATOM 297 CB ASN A 19 1.199 -12.091 -4.806 1.00 0.00 C ATOM 298 CG ASN A 19 0.657 -13.073 -5.828 1.00 0.00 C ATOM 299 OD1 ASN A 19 0.704 -14.287 -5.625 1.00 0.00 O ATOM 300 ND2 ASN A 19 0.138 -12.552 -6.934 1.00 0.00 N ATOM 0 H ASN A 19 -1.034 -11.236 -4.192 1.00 0.00 H new ATOM 0 HA ASN A 19 0.528 -13.374 -3.216 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.990 -11.074 -5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.283 -12.191 -4.749 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.242 -13.164 -7.656 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.119 -11.540 -7.061 1.00 0.00 H new ATOM 307 N ALA A 20 1.457 -10.355 -2.244 1.00 0.00 N ATOM 308 CA ALA A 20 2.280 -9.653 -1.269 1.00 0.00 C ATOM 309 C ALA A 20 1.896 -10.030 0.156 1.00 0.00 C ATOM 310 O ALA A 20 2.755 -10.383 0.964 1.00 0.00 O ATOM 311 CB ALA A 20 2.185 -8.148 -1.469 1.00 0.00 C ATOM 0 H ALA A 20 0.867 -9.750 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 20 3.314 -9.958 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.807 -7.643 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.530 -7.892 -2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.149 -7.830 -1.350 1.00 0.00 H new ATOM 317 N LYS A 21 0.606 -9.967 0.461 1.00 0.00 N ATOM 318 CA LYS A 21 0.123 -10.313 1.793 1.00 0.00 C ATOM 319 C LYS A 21 0.671 -11.671 2.227 1.00 0.00 C ATOM 320 O LYS A 21 0.958 -11.890 3.404 1.00 0.00 O ATOM 321 CB LYS A 21 -1.407 -10.334 1.817 1.00 0.00 C ATOM 322 CG LYS A 21 -1.991 -10.626 3.188 1.00 0.00 C ATOM 323 CD LYS A 21 -3.380 -11.234 3.084 1.00 0.00 C ATOM 324 CE LYS A 21 -4.438 -10.169 2.844 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.670 -10.421 3.641 1.00 0.00 N ATOM 0 H LYS A 21 -0.123 -9.681 -0.193 1.00 0.00 H new ATOM 0 HA LYS A 21 0.476 -9.555 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.780 -9.370 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.763 -11.086 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.334 -11.308 3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.039 -9.704 3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.401 -11.959 2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.610 -11.777 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.033 -9.190 3.101 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.691 -10.141 1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.367 -9.673 3.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.071 -11.344 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.434 -10.423 4.654 1.00 0.00 H new ATOM 339 N ARG A 22 0.823 -12.576 1.263 1.00 0.00 N ATOM 340 CA ARG A 22 1.347 -13.907 1.542 1.00 0.00 C ATOM 341 C ARG A 22 2.807 -13.824 1.974 1.00 0.00 C ATOM 342 O ARG A 22 3.234 -14.520 2.895 1.00 0.00 O ATOM 343 CB ARG A 22 1.217 -14.804 0.311 1.00 0.00 C ATOM 344 CG ARG A 22 1.637 -16.244 0.560 1.00 0.00 C ATOM 345 CD ARG A 22 0.646 -16.966 1.457 1.00 0.00 C ATOM 346 NE ARG A 22 1.308 -17.883 2.380 1.00 0.00 N ATOM 347 CZ ARG A 22 0.661 -18.748 3.159 1.00 0.00 C ATOM 348 NH1 ARG A 22 -0.664 -18.817 3.128 1.00 0.00 N ATOM 349 NH2 ARG A 22 1.342 -19.547 3.970 1.00 0.00 N ATOM 0 H ARG A 22 0.591 -12.411 0.284 1.00 0.00 H new ATOM 0 HA ARG A 22 0.763 -14.341 2.354 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.182 -14.790 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.824 -14.391 -0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.718 -16.770 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.625 -16.262 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.071 -16.234 2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.062 -17.520 0.841 1.00 0.00 H new ATOM 0 HE ARG A 22 2.326 -17.860 2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.192 -18.206 2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.154 -19.481 3.727 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.361 -19.499 3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.847 -20.210 4.567 1.00 0.00 H new ATOM 363 N LEU A 23 3.566 -12.955 1.309 1.00 0.00 N ATOM 364 CA LEU A 23 4.976 -12.768 1.631 1.00 0.00 C ATOM 365 C LEU A 23 5.134 -12.365 3.092 1.00 0.00 C ATOM 366 O LEU A 23 5.844 -13.018 3.857 1.00 0.00 O ATOM 367 CB LEU A 23 5.589 -11.700 0.714 1.00 0.00 C ATOM 368 CG LEU A 23 6.880 -11.049 1.224 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.715 -10.541 0.061 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.560 -9.911 2.183 1.00 0.00 C ATOM 0 H LEU A 23 3.227 -12.371 0.545 1.00 0.00 H new ATOM 0 HA LEU A 23 5.501 -13.710 1.472 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.791 -12.153 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.848 -10.917 0.552 1.00 0.00 H new ATOM 0 HG LEU A 23 7.456 -11.803 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.628 -10.082 0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.973 -11.374 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.144 -9.802 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.488 -9.460 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.963 -9.158 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.999 -10.299 3.033 1.00 0.00 H new ATOM 382 N LEU A 24 4.456 -11.287 3.472 1.00 0.00 N ATOM 383 CA LEU A 24 4.510 -10.793 4.842 1.00 0.00 C ATOM 384 C LEU A 24 4.120 -11.890 5.823 1.00 0.00 C ATOM 385 O LEU A 24 4.784 -12.095 6.839 1.00 0.00 O ATOM 386 CB LEU A 24 3.583 -9.591 5.006 1.00 0.00 C ATOM 387 CG LEU A 24 4.092 -8.299 4.368 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.934 -7.475 3.837 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.900 -7.495 5.371 1.00 0.00 C ATOM 0 H LEU A 24 3.862 -10.739 2.849 1.00 0.00 H new ATOM 0 HA LEU A 24 5.533 -10.484 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.613 -9.836 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.422 -9.416 6.070 1.00 0.00 H new ATOM 0 HG LEU A 24 4.740 -8.560 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.316 -6.559 3.386 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.392 -8.050 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.261 -7.223 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.255 -6.578 4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.273 -7.245 6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.753 -8.084 5.707 1.00 0.00 H new ATOM 401 N THR A 25 3.045 -12.606 5.505 1.00 0.00 N ATOM 402 CA THR A 25 2.577 -13.693 6.353 1.00 0.00 C ATOM 403 C THR A 25 3.689 -14.720 6.539 1.00 0.00 C ATOM 404 O THR A 25 3.859 -15.284 7.620 1.00 0.00 O ATOM 405 CB THR A 25 1.345 -14.358 5.737 1.00 0.00 C ATOM 406 OG1 THR A 25 0.307 -13.412 5.549 1.00 0.00 O ATOM 407 CG2 THR A 25 0.791 -15.488 6.577 1.00 0.00 C ATOM 0 H THR A 25 2.484 -12.452 4.667 1.00 0.00 H new ATOM 0 HA THR A 25 2.301 -13.286 7.326 1.00 0.00 H new ATOM 0 HB THR A 25 1.683 -14.768 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.567 -12.775 4.851 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.081 -15.915 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.553 -16.258 6.699 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.502 -15.106 7.556 1.00 0.00 H new ATOM 415 N VAL A 26 4.453 -14.941 5.473 1.00 0.00 N ATOM 416 CA VAL A 26 5.564 -15.883 5.501 1.00 0.00 C ATOM 417 C VAL A 26 6.773 -15.263 6.195 1.00 0.00 C ATOM 418 O VAL A 26 7.534 -15.951 6.875 1.00 0.00 O ATOM 419 CB VAL A 26 5.965 -16.315 4.076 1.00 0.00 C ATOM 420 CG1 VAL A 26 7.071 -17.359 4.118 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.756 -16.840 3.318 1.00 0.00 C ATOM 0 H VAL A 26 4.320 -14.477 4.575 1.00 0.00 H new ATOM 0 HA VAL A 26 5.235 -16.761 6.056 1.00 0.00 H new ATOM 0 HB VAL A 26 6.347 -15.441 3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.337 -17.648 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.946 -16.942 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.724 -18.235 4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.058 -17.140 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.342 -17.700 3.845 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.001 -16.057 3.251 1.00 0.00 H new ATOM 431 N LYS A 27 6.938 -13.956 6.017 1.00 0.00 N ATOM 432 CA LYS A 27 8.047 -13.233 6.629 1.00 0.00 C ATOM 433 C LYS A 27 7.851 -13.114 8.140 1.00 0.00 C ATOM 434 O LYS A 27 8.799 -12.845 8.877 1.00 0.00 O ATOM 435 CB LYS A 27 8.181 -11.840 6.001 1.00 0.00 C ATOM 436 CG LYS A 27 9.457 -11.651 5.195 1.00 0.00 C ATOM 437 CD LYS A 27 10.645 -11.347 6.093 1.00 0.00 C ATOM 438 CE LYS A 27 11.897 -12.075 5.629 1.00 0.00 C ATOM 439 NZ LYS A 27 12.693 -12.596 6.775 1.00 0.00 N ATOM 0 H LYS A 27 6.317 -13.376 5.453 1.00 0.00 H new ATOM 0 HA LYS A 27 8.964 -13.794 6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.323 -11.659 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.147 -11.090 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.659 -12.552 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.321 -10.837 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.830 -10.273 6.102 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.412 -11.639 7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.616 -12.902 4.977 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.513 -11.398 5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.538 -13.085 6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 12.983 -11.805 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.114 -13.262 7.325 1.00 0.00 H new ATOM 453 N LYS A 28 6.612 -13.320 8.595 1.00 0.00 N ATOM 454 CA LYS A 28 6.282 -13.239 10.017 1.00 0.00 C ATOM 455 C LYS A 28 6.175 -11.788 10.476 1.00 0.00 C ATOM 456 O LYS A 28 6.816 -11.384 11.447 1.00 0.00 O ATOM 457 CB LYS A 28 7.325 -13.982 10.860 1.00 0.00 C ATOM 458 CG LYS A 28 6.797 -14.454 12.205 1.00 0.00 C ATOM 459 CD LYS A 28 6.076 -15.786 12.082 1.00 0.00 C ATOM 460 CE LYS A 28 4.571 -15.598 11.978 1.00 0.00 C ATOM 461 NZ LYS A 28 3.833 -16.867 12.228 1.00 0.00 N ATOM 0 H LYS A 28 5.819 -13.545 7.994 1.00 0.00 H new ATOM 0 HA LYS A 28 5.312 -13.716 10.158 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.687 -14.843 10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.180 -13.327 11.025 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.624 -14.550 12.909 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.116 -13.707 12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.439 -16.317 11.202 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.307 -16.407 12.947 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.249 -14.844 12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.320 -15.222 10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.810 -16.695 12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.121 -17.580 11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.052 -17.213 13.184 1.00 0.00 H new ATOM 475 N GLN A 29 5.358 -11.009 9.776 1.00 0.00 N ATOM 476 CA GLN A 29 5.169 -9.605 10.115 1.00 0.00 C ATOM 477 C GLN A 29 3.707 -9.194 9.968 1.00 0.00 C ATOM 478 O GLN A 29 3.058 -9.533 8.979 1.00 0.00 O ATOM 479 CB GLN A 29 6.040 -8.717 9.222 1.00 0.00 C ATOM 480 CG GLN A 29 7.419 -8.436 9.801 1.00 0.00 C ATOM 481 CD GLN A 29 8.294 -9.673 9.859 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.430 -10.398 8.875 1.00 0.00 O ATOM 483 NE2 GLN A 29 8.895 -9.918 11.017 1.00 0.00 N ATOM 0 H GLN A 29 4.817 -11.326 8.972 1.00 0.00 H new ATOM 0 HA GLN A 29 5.465 -9.474 11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.154 -9.195 8.249 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.526 -7.771 9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.913 -7.675 9.198 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.310 -8.026 10.805 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.754 -9.289 11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.498 -10.735 11.116 1.00 0.00 H new ATOM 492 N PRO A 30 3.170 -8.436 10.941 1.00 0.00 N ATOM 493 CA PRO A 30 1.788 -7.961 10.898 1.00 0.00 C ATOM 494 C PRO A 30 1.670 -6.727 10.021 1.00 0.00 C ATOM 495 O PRO A 30 2.673 -6.084 9.727 1.00 0.00 O ATOM 496 CB PRO A 30 1.520 -7.597 12.353 1.00 0.00 C ATOM 497 CG PRO A 30 2.835 -7.086 12.825 1.00 0.00 C ATOM 498 CD PRO A 30 3.870 -7.956 12.154 1.00 0.00 C ATOM 0 HA PRO A 30 1.092 -8.693 10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.739 -6.841 12.442 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.194 -8.462 12.931 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.969 -6.038 12.556 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.914 -7.148 13.910 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.769 -7.393 11.904 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.179 -8.782 12.795 1.00 0.00 H new ATOM 506 N PHE A 31 0.455 -6.394 9.600 1.00 0.00 N ATOM 507 CA PHE A 31 0.253 -5.224 8.755 1.00 0.00 C ATOM 508 C PHE A 31 -1.201 -4.759 8.761 1.00 0.00 C ATOM 509 O PHE A 31 -2.083 -5.447 9.277 1.00 0.00 O ATOM 510 CB PHE A 31 0.693 -5.518 7.334 1.00 0.00 C ATOM 511 CG PHE A 31 0.139 -6.803 6.816 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.660 -8.007 7.250 1.00 0.00 C ATOM 513 CD2 PHE A 31 -0.910 -6.812 5.917 1.00 0.00 C ATOM 514 CE1 PHE A 31 0.149 -9.201 6.795 1.00 0.00 C ATOM 515 CE2 PHE A 31 -1.430 -8.004 5.456 1.00 0.00 C ATOM 516 CZ PHE A 31 -0.901 -9.203 5.897 1.00 0.00 C ATOM 0 H PHE A 31 -0.395 -6.910 9.827 1.00 0.00 H new ATOM 0 HA PHE A 31 0.862 -4.419 9.166 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.377 -4.702 6.684 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.782 -5.554 7.295 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.478 -8.011 7.955 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.327 -5.877 5.572 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.568 -10.135 7.139 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -2.249 -8.001 4.752 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.307 -10.138 5.541 1.00 0.00 H new ATOM 526 N GLU A 32 -1.446 -3.591 8.166 1.00 0.00 N ATOM 527 CA GLU A 32 -2.792 -3.032 8.087 1.00 0.00 C ATOM 528 C GLU A 32 -3.061 -2.476 6.690 1.00 0.00 C ATOM 529 O GLU A 32 -2.223 -1.778 6.118 1.00 0.00 O ATOM 530 CB GLU A 32 -2.975 -1.929 9.132 1.00 0.00 C ATOM 531 CG GLU A 32 -4.063 -2.230 10.150 1.00 0.00 C ATOM 532 CD GLU A 32 -4.407 -1.030 11.009 1.00 0.00 C ATOM 533 OE1 GLU A 32 -3.686 -0.782 11.998 1.00 0.00 O ATOM 534 OE2 GLU A 32 -5.397 -0.337 10.694 1.00 0.00 O ATOM 0 H GLU A 32 -0.726 -3.014 7.731 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.505 -3.831 8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.031 -1.776 9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.213 -0.994 8.624 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.959 -2.568 9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.739 -3.050 10.791 1.00 0.00 H new ATOM 541 N PHE A 33 -4.230 -2.798 6.145 1.00 0.00 N ATOM 542 CA PHE A 33 -4.608 -2.342 4.818 1.00 0.00 C ATOM 543 C PHE A 33 -5.331 -1.000 4.872 1.00 0.00 C ATOM 544 O PHE A 33 -5.888 -0.622 5.902 1.00 0.00 O ATOM 545 CB PHE A 33 -5.509 -3.380 4.155 1.00 0.00 C ATOM 546 CG PHE A 33 -5.493 -3.312 2.661 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.426 -3.825 1.951 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.542 -2.736 1.970 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.403 -3.767 0.570 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.528 -2.671 0.589 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.457 -3.189 -0.111 1.00 0.00 C ATOM 0 H PHE A 33 -4.932 -3.376 6.607 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.696 -2.213 4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.196 -4.376 4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.531 -3.241 4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.600 -4.277 2.480 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.382 -2.332 2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.563 -4.172 0.025 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.352 -2.216 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.443 -3.143 -1.190 1.00 0.00 H new ATOM 561 N ILE A 34 -5.329 -0.295 3.745 1.00 0.00 N ATOM 562 CA ILE A 34 -5.996 0.996 3.639 1.00 0.00 C ATOM 563 C ILE A 34 -6.518 1.208 2.227 1.00 0.00 C ATOM 564 O ILE A 34 -5.762 1.170 1.256 1.00 0.00 O ATOM 565 CB ILE A 34 -5.069 2.166 4.007 1.00 0.00 C ATOM 566 CG1 ILE A 34 -4.275 1.836 5.269 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.879 3.439 4.203 1.00 0.00 C ATOM 568 CD1 ILE A 34 -3.183 2.836 5.574 1.00 0.00 C ATOM 0 H ILE A 34 -4.869 -0.600 2.887 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.822 0.979 4.349 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.366 2.326 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.959 1.787 6.116 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.831 0.847 5.161 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.210 4.259 4.463 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.407 3.680 3.280 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.601 3.291 5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.661 2.538 6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.477 2.868 4.744 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.623 3.823 5.715 1.00 0.00 H new ATOM 580 N ASN A 35 -7.817 1.419 2.128 1.00 0.00 N ATOM 581 CA ASN A 35 -8.467 1.630 0.841 1.00 0.00 C ATOM 582 C ASN A 35 -8.407 3.094 0.432 1.00 0.00 C ATOM 583 O ASN A 35 -8.699 3.986 1.231 1.00 0.00 O ATOM 584 CB ASN A 35 -9.926 1.169 0.898 1.00 0.00 C ATOM 585 CG ASN A 35 -10.076 -0.202 1.523 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.092 -0.901 1.758 1.00 0.00 O ATOM 587 ND2 ASN A 35 -11.316 -0.595 1.793 1.00 0.00 N ATOM 0 H ASN A 35 -8.450 1.450 2.928 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.933 1.040 0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.510 1.891 1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.338 1.152 -0.111 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.481 -1.510 2.212 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.103 0.018 1.581 1.00 0.00 H new ATOM 594 N ILE A 36 -8.034 3.338 -0.819 1.00 0.00 N ATOM 595 CA ILE A 36 -7.946 4.696 -1.332 1.00 0.00 C ATOM 596 C ILE A 36 -9.193 5.070 -2.136 1.00 0.00 C ATOM 597 O ILE A 36 -9.278 6.167 -2.683 1.00 0.00 O ATOM 598 CB ILE A 36 -6.692 4.893 -2.209 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.766 4.030 -3.470 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.437 4.567 -1.414 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.843 4.505 -4.571 1.00 0.00 C ATOM 0 H ILE A 36 -7.789 2.614 -1.494 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.873 5.353 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.650 5.938 -2.517 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.516 3.001 -3.213 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.791 4.026 -3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.559 4.710 -2.045 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.373 5.226 -0.548 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.478 3.531 -1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.943 3.851 -5.437 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.108 5.524 -4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.812 4.483 -4.217 1.00 0.00 H new ATOM 613 N MET A 37 -10.163 4.159 -2.193 1.00 0.00 N ATOM 614 CA MET A 37 -11.402 4.404 -2.920 1.00 0.00 C ATOM 615 C MET A 37 -12.582 3.741 -2.204 1.00 0.00 C ATOM 616 O MET A 37 -12.892 2.576 -2.451 1.00 0.00 O ATOM 617 CB MET A 37 -11.287 3.899 -4.369 1.00 0.00 C ATOM 618 CG MET A 37 -12.599 3.938 -5.144 1.00 0.00 C ATOM 619 SD MET A 37 -12.421 4.336 -6.908 1.00 0.00 S ATOM 620 CE MET A 37 -10.701 3.958 -7.252 1.00 0.00 C ATOM 0 H MET A 37 -10.112 3.245 -1.743 1.00 0.00 H new ATOM 0 HA MET A 37 -11.580 5.479 -2.949 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.547 4.502 -4.896 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.914 2.875 -4.358 1.00 0.00 H new ATOM 0 HG2 MET A 37 -13.090 2.969 -5.051 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.257 4.675 -4.683 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.560 3.853 -8.328 1.00 0.00 H new ATOM 0 HE2 MET A 37 -10.070 4.765 -6.880 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.427 3.026 -6.758 1.00 0.00 H new ATOM 630 N PRO A 38 -13.249 4.477 -1.288 1.00 0.00 N ATOM 631 CA PRO A 38 -14.391 3.951 -0.525 1.00 0.00 C ATOM 632 C PRO A 38 -15.612 3.712 -1.403 1.00 0.00 C ATOM 633 O PRO A 38 -16.455 2.869 -1.099 1.00 0.00 O ATOM 634 CB PRO A 38 -14.680 5.056 0.495 1.00 0.00 C ATOM 635 CG PRO A 38 -14.142 6.297 -0.127 1.00 0.00 C ATOM 636 CD PRO A 38 -12.938 5.870 -0.920 1.00 0.00 C ATOM 0 HA PRO A 38 -14.167 2.984 -0.075 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.749 5.143 0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.196 4.850 1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.887 6.767 -0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.870 7.029 0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.794 6.496 -1.801 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.024 5.935 -0.330 1.00 0.00 H new ATOM 644 N GLU A 39 -15.696 4.461 -2.494 1.00 0.00 N ATOM 645 CA GLU A 39 -16.805 4.337 -3.426 1.00 0.00 C ATOM 646 C GLU A 39 -16.296 4.432 -4.855 1.00 0.00 C ATOM 647 O GLU A 39 -15.333 5.147 -5.131 1.00 0.00 O ATOM 648 CB GLU A 39 -17.850 5.427 -3.163 1.00 0.00 C ATOM 649 CG GLU A 39 -19.269 5.007 -3.510 1.00 0.00 C ATOM 650 CD GLU A 39 -20.312 5.963 -2.963 1.00 0.00 C ATOM 651 OE1 GLU A 39 -20.316 7.140 -3.380 1.00 0.00 O ATOM 652 OE2 GLU A 39 -21.126 5.534 -2.117 1.00 0.00 O ATOM 0 H GLU A 39 -15.005 5.164 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.276 3.365 -3.282 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.811 5.710 -2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.591 6.314 -3.741 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -19.371 4.946 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.455 4.008 -3.115 1.00 0.00 H new ATOM 659 N LYS A 40 -16.939 3.710 -5.766 1.00 0.00 N ATOM 660 CA LYS A 40 -16.528 3.724 -7.166 1.00 0.00 C ATOM 661 C LYS A 40 -16.653 5.110 -7.775 1.00 0.00 C ATOM 662 O LYS A 40 -16.200 5.361 -8.892 1.00 0.00 O ATOM 663 CB LYS A 40 -17.334 2.713 -7.981 1.00 0.00 C ATOM 664 CG LYS A 40 -16.791 2.500 -9.384 1.00 0.00 C ATOM 665 CD LYS A 40 -16.906 1.047 -9.813 1.00 0.00 C ATOM 666 CE LYS A 40 -15.775 0.653 -10.749 1.00 0.00 C ATOM 667 NZ LYS A 40 -16.052 -0.636 -11.443 1.00 0.00 N ATOM 0 H LYS A 40 -17.740 3.112 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.476 3.439 -7.196 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.344 1.759 -7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.368 3.052 -8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.336 3.131 -10.086 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.747 2.810 -9.422 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.892 0.404 -8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -17.863 0.887 -10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.626 1.439 -11.489 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.848 0.568 -10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -15.257 -0.869 -12.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.169 -1.392 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.923 -0.548 -12.004 1.00 0.00 H new ATOM 681 N GLY A 41 -17.263 5.998 -7.027 1.00 0.00 N ATOM 682 CA GLY A 41 -17.451 7.361 -7.475 1.00 0.00 C ATOM 683 C GLY A 41 -16.175 8.176 -7.406 1.00 0.00 C ATOM 684 O GLY A 41 -15.766 8.783 -8.395 1.00 0.00 O ATOM 0 H GLY A 41 -17.640 5.802 -6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.820 7.355 -8.501 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.217 7.839 -6.864 1.00 0.00 H new ATOM 688 N VAL A 42 -15.542 8.196 -6.233 1.00 0.00 N ATOM 689 CA VAL A 42 -14.310 8.956 -6.053 1.00 0.00 C ATOM 690 C VAL A 42 -13.403 8.350 -4.986 1.00 0.00 C ATOM 691 O VAL A 42 -13.871 7.801 -3.989 1.00 0.00 O ATOM 692 CB VAL A 42 -14.612 10.415 -5.657 1.00 0.00 C ATOM 693 CG1 VAL A 42 -13.337 11.244 -5.662 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.657 11.020 -6.579 1.00 0.00 C ATOM 0 H VAL A 42 -15.860 7.699 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.796 8.923 -7.013 1.00 0.00 H new ATOM 0 HB VAL A 42 -15.016 10.419 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.570 12.271 -5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.627 10.824 -4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.899 11.232 -6.660 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.854 12.050 -6.280 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.290 11.004 -7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.578 10.441 -6.514 1.00 0.00 H new ATOM 704 N PHE A 43 -12.097 8.486 -5.198 1.00 0.00 N ATOM 705 CA PHE A 43 -11.100 7.991 -4.258 1.00 0.00 C ATOM 706 C PHE A 43 -11.315 8.613 -2.875 1.00 0.00 C ATOM 707 O PHE A 43 -12.080 9.565 -2.726 1.00 0.00 O ATOM 708 CB PHE A 43 -9.694 8.368 -4.743 1.00 0.00 C ATOM 709 CG PHE A 43 -9.324 7.825 -6.094 1.00 0.00 C ATOM 710 CD1 PHE A 43 -9.820 8.396 -7.257 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.463 6.747 -6.198 1.00 0.00 C ATOM 712 CE1 PHE A 43 -9.464 7.901 -8.496 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.103 6.248 -7.435 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.604 6.826 -8.585 1.00 0.00 C ATOM 0 H PHE A 43 -11.703 8.940 -6.022 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.200 6.907 -4.194 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.614 9.455 -4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.966 8.013 -4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.493 9.238 -7.193 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.068 6.291 -5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.858 8.355 -9.393 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -7.430 5.406 -7.503 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.323 6.437 -9.552 1.00 0.00 H new ATOM 724 N ASP A 44 -10.612 8.087 -1.877 1.00 0.00 N ATOM 725 CA ASP A 44 -10.706 8.597 -0.511 1.00 0.00 C ATOM 726 C ASP A 44 -9.827 9.832 -0.337 1.00 0.00 C ATOM 727 O ASP A 44 -8.621 9.720 -0.125 1.00 0.00 O ATOM 728 CB ASP A 44 -10.283 7.518 0.491 1.00 0.00 C ATOM 729 CG ASP A 44 -11.180 7.478 1.713 1.00 0.00 C ATOM 730 OD1 ASP A 44 -11.069 8.389 2.560 1.00 0.00 O ATOM 731 OD2 ASP A 44 -11.992 6.535 1.824 1.00 0.00 O ATOM 0 H ASP A 44 -9.968 7.304 -1.988 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.743 8.873 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.299 6.545 0.000 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.255 7.700 0.804 1.00 0.00 H new ATOM 736 N ASP A 45 -10.435 11.009 -0.429 1.00 0.00 N ATOM 737 CA ASP A 45 -9.700 12.260 -0.283 1.00 0.00 C ATOM 738 C ASP A 45 -8.987 12.331 1.067 1.00 0.00 C ATOM 739 O ASP A 45 -8.036 13.095 1.236 1.00 0.00 O ATOM 740 CB ASP A 45 -10.645 13.453 -0.434 1.00 0.00 C ATOM 741 CG ASP A 45 -9.904 14.753 -0.678 1.00 0.00 C ATOM 742 OD1 ASP A 45 -9.018 15.093 0.135 1.00 0.00 O ATOM 743 OD2 ASP A 45 -10.209 15.432 -1.681 1.00 0.00 O ATOM 0 H ASP A 45 -11.433 11.123 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.947 12.296 -1.070 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.329 13.268 -1.262 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -11.252 13.548 0.466 1.00 0.00 H new ATOM 748 N GLU A 46 -9.455 11.538 2.028 1.00 0.00 N ATOM 749 CA GLU A 46 -8.858 11.523 3.359 1.00 0.00 C ATOM 750 C GLU A 46 -7.451 10.930 3.326 1.00 0.00 C ATOM 751 O GLU A 46 -6.486 11.574 3.741 1.00 0.00 O ATOM 752 CB GLU A 46 -9.738 10.729 4.327 1.00 0.00 C ATOM 753 CG GLU A 46 -9.194 10.683 5.746 1.00 0.00 C ATOM 754 CD GLU A 46 -9.755 11.786 6.622 1.00 0.00 C ATOM 755 OE1 GLU A 46 -10.870 12.266 6.332 1.00 0.00 O ATOM 756 OE2 GLU A 46 -9.079 12.168 7.601 1.00 0.00 O ATOM 0 H GLU A 46 -10.242 10.900 1.910 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.786 12.554 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.735 11.169 4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.846 9.710 3.955 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.430 9.716 6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.107 10.764 5.717 1.00 0.00 H new ATOM 763 N LYS A 47 -7.341 9.699 2.837 1.00 0.00 N ATOM 764 CA LYS A 47 -6.049 9.032 2.756 1.00 0.00 C ATOM 765 C LYS A 47 -5.195 9.646 1.653 1.00 0.00 C ATOM 766 O LYS A 47 -4.046 10.018 1.879 1.00 0.00 O ATOM 767 CB LYS A 47 -6.225 7.530 2.510 1.00 0.00 C ATOM 768 CG LYS A 47 -7.381 6.910 3.281 1.00 0.00 C ATOM 769 CD LYS A 47 -7.241 7.140 4.778 1.00 0.00 C ATOM 770 CE LYS A 47 -8.596 7.323 5.443 1.00 0.00 C ATOM 771 NZ LYS A 47 -9.367 6.051 5.495 1.00 0.00 N ATOM 0 H LYS A 47 -8.127 9.147 2.493 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.540 9.170 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.380 7.362 1.444 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.303 7.017 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.322 7.336 2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.422 5.840 3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.724 6.294 5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.625 8.022 4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.455 7.703 6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.169 8.073 4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.284 6.219 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -9.524 5.701 4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.832 5.343 6.037 1.00 0.00 H new ATOM 785 N ILE A 48 -5.769 9.764 0.461 1.00 0.00 N ATOM 786 CA ILE A 48 -5.058 10.345 -0.672 1.00 0.00 C ATOM 787 C ILE A 48 -4.423 11.681 -0.285 1.00 0.00 C ATOM 788 O ILE A 48 -3.332 12.013 -0.743 1.00 0.00 O ATOM 789 CB ILE A 48 -6.001 10.545 -1.884 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.198 9.221 -2.629 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.462 11.608 -2.835 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.412 8.446 -2.173 1.00 0.00 C ATOM 0 H ILE A 48 -6.722 9.466 0.254 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.271 9.647 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.964 10.887 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.286 9.424 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.311 8.602 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.146 11.725 -3.675 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.371 12.557 -2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.483 11.303 -3.204 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.488 7.520 -2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.317 8.212 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -8.308 9.046 -2.333 1.00 0.00 H new ATOM 804 N ALA A 49 -5.110 12.435 0.566 1.00 0.00 N ATOM 805 CA ALA A 49 -4.614 13.729 1.015 1.00 0.00 C ATOM 806 C ALA A 49 -3.332 13.573 1.822 1.00 0.00 C ATOM 807 O ALA A 49 -2.276 14.086 1.442 1.00 0.00 O ATOM 808 CB ALA A 49 -5.675 14.441 1.840 1.00 0.00 C ATOM 0 H ALA A 49 -6.014 12.171 0.959 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.388 14.331 0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.292 15.407 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.567 14.593 1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.927 13.835 2.710 1.00 0.00 H new ATOM 814 N GLU A 50 -3.426 12.859 2.937 1.00 0.00 N ATOM 815 CA GLU A 50 -2.266 12.638 3.790 1.00 0.00 C ATOM 816 C GLU A 50 -1.202 11.842 3.043 1.00 0.00 C ATOM 817 O GLU A 50 -0.012 11.942 3.341 1.00 0.00 O ATOM 818 CB GLU A 50 -2.671 11.918 5.081 1.00 0.00 C ATOM 819 CG GLU A 50 -3.015 10.449 4.895 1.00 0.00 C ATOM 820 CD GLU A 50 -4.178 10.012 5.765 1.00 0.00 C ATOM 821 OE1 GLU A 50 -5.155 10.783 5.879 1.00 0.00 O ATOM 822 OE2 GLU A 50 -4.110 8.902 6.334 1.00 0.00 O ATOM 0 H GLU A 50 -4.287 12.426 3.270 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.848 13.608 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.856 12.000 5.800 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.531 12.429 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.259 10.266 3.849 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.141 9.842 5.130 1.00 0.00 H new ATOM 829 N LEU A 51 -1.639 11.064 2.056 1.00 0.00 N ATOM 830 CA LEU A 51 -0.733 10.258 1.255 1.00 0.00 C ATOM 831 C LEU A 51 0.317 11.148 0.604 1.00 0.00 C ATOM 832 O LEU A 51 1.517 10.928 0.764 1.00 0.00 O ATOM 833 CB LEU A 51 -1.518 9.500 0.184 1.00 0.00 C ATOM 834 CG LEU A 51 -0.830 8.254 -0.361 1.00 0.00 C ATOM 835 CD1 LEU A 51 -1.679 7.596 -1.433 1.00 0.00 C ATOM 836 CD2 LEU A 51 0.544 8.581 -0.903 1.00 0.00 C ATOM 0 H LEU A 51 -2.621 10.977 1.794 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.232 9.537 1.901 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.483 9.211 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.718 10.178 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.710 7.553 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.169 6.709 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.642 7.309 -1.010 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.838 8.297 -2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.010 7.673 -1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.453 9.309 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.160 8.998 -0.106 1.00 0.00 H new ATOM 848 N LEU A 52 -0.142 12.168 -0.119 1.00 0.00 N ATOM 849 CA LEU A 52 0.755 13.100 -0.776 1.00 0.00 C ATOM 850 C LEU A 52 1.715 13.725 0.223 1.00 0.00 C ATOM 851 O LEU A 52 2.929 13.741 0.014 1.00 0.00 O ATOM 852 CB LEU A 52 -0.067 14.159 -1.457 1.00 0.00 C ATOM 853 CG LEU A 52 -1.054 13.592 -2.461 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.647 14.714 -3.241 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.381 12.590 -3.388 1.00 0.00 C ATOM 0 H LEU A 52 -1.133 12.365 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 52 1.355 12.568 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.611 14.729 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.599 14.857 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.842 13.061 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.358 14.317 -3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.161 15.396 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.856 15.251 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.113 12.201 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.425 13.082 -3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.028 11.768 -2.800 1.00 0.00 H new ATOM 867 N THR A 53 1.163 14.226 1.325 1.00 0.00 N ATOM 868 CA THR A 53 1.970 14.838 2.372 1.00 0.00 C ATOM 869 C THR A 53 2.965 13.828 2.932 1.00 0.00 C ATOM 870 O THR A 53 4.096 14.174 3.273 1.00 0.00 O ATOM 871 CB THR A 53 1.074 15.366 3.495 1.00 0.00 C ATOM 872 OG1 THR A 53 0.073 16.224 2.976 1.00 0.00 O ATOM 873 CG2 THR A 53 1.833 16.136 4.555 1.00 0.00 C ATOM 0 H THR A 53 0.161 14.219 1.514 1.00 0.00 H new ATOM 0 HA THR A 53 2.521 15.673 1.939 1.00 0.00 H new ATOM 0 HB THR A 53 0.636 14.480 3.956 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.491 16.550 3.709 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.139 16.482 5.321 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.581 15.487 5.010 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.326 16.994 4.098 1.00 0.00 H new ATOM 881 N LYS A 54 2.533 12.572 3.018 1.00 0.00 N ATOM 882 CA LYS A 54 3.379 11.500 3.529 1.00 0.00 C ATOM 883 C LYS A 54 4.489 11.162 2.539 1.00 0.00 C ATOM 884 O LYS A 54 5.611 10.845 2.933 1.00 0.00 O ATOM 885 CB LYS A 54 2.540 10.253 3.814 1.00 0.00 C ATOM 886 CG LYS A 54 1.863 10.274 5.174 1.00 0.00 C ATOM 887 CD LYS A 54 1.028 9.024 5.400 1.00 0.00 C ATOM 888 CE LYS A 54 1.905 7.798 5.598 1.00 0.00 C ATOM 889 NZ LYS A 54 2.111 7.490 7.040 1.00 0.00 N ATOM 0 H LYS A 54 1.599 12.273 2.739 1.00 0.00 H new ATOM 0 HA LYS A 54 3.836 11.844 4.457 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.779 10.152 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.179 9.372 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.618 10.355 5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.228 11.156 5.252 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.392 9.163 6.274 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.368 8.867 4.547 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.447 6.940 5.105 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.871 7.961 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.714 6.648 7.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.571 8.298 7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.192 7.309 7.491 1.00 0.00 H new ATOM 903 N LEU A 55 4.170 11.235 1.249 1.00 0.00 N ATOM 904 CA LEU A 55 5.145 10.940 0.204 1.00 0.00 C ATOM 905 C LEU A 55 6.342 11.877 0.311 1.00 0.00 C ATOM 906 O LEU A 55 7.490 11.460 0.157 1.00 0.00 O ATOM 907 CB LEU A 55 4.505 11.085 -1.180 1.00 0.00 C ATOM 908 CG LEU A 55 3.490 10.002 -1.571 1.00 0.00 C ATOM 909 CD1 LEU A 55 3.682 9.600 -3.021 1.00 0.00 C ATOM 910 CD2 LEU A 55 3.605 8.779 -0.670 1.00 0.00 C ATOM 0 H LEU A 55 3.246 11.495 0.904 1.00 0.00 H new ATOM 0 HA LEU A 55 5.484 9.912 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.009 12.054 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.300 11.096 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 55 2.492 10.421 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.956 8.831 -3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.539 10.470 -3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.690 9.209 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.872 8.032 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.607 8.359 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.418 9.070 0.364 1.00 0.00 H new ATOM 922 N GLY A 56 6.058 13.148 0.576 1.00 0.00 N ATOM 923 CA GLY A 56 7.107 14.143 0.698 1.00 0.00 C ATOM 924 C GLY A 56 6.603 15.536 0.379 1.00 0.00 C ATOM 925 O GLY A 56 5.395 15.766 0.327 1.00 0.00 O ATOM 0 H GLY A 56 5.113 13.508 0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.508 14.125 1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.927 13.891 0.026 1.00 0.00 H new ATOM 929 N ARG A 57 7.524 16.466 0.150 1.00 0.00 N ATOM 930 CA ARG A 57 7.152 17.840 -0.175 1.00 0.00 C ATOM 931 C ARG A 57 7.108 18.050 -1.683 1.00 0.00 C ATOM 932 O ARG A 57 7.382 19.143 -2.180 1.00 0.00 O ATOM 933 CB ARG A 57 8.135 18.824 0.464 1.00 0.00 C ATOM 934 CG ARG A 57 9.553 18.700 -0.068 1.00 0.00 C ATOM 935 CD ARG A 57 10.582 18.933 1.028 1.00 0.00 C ATOM 936 NE ARG A 57 10.257 20.099 1.846 1.00 0.00 N ATOM 937 CZ ARG A 57 10.364 21.355 1.421 1.00 0.00 C ATOM 938 NH1 ARG A 57 10.785 21.614 0.189 1.00 0.00 N ATOM 939 NH2 ARG A 57 10.048 22.358 2.229 1.00 0.00 N ATOM 0 H ARG A 57 8.529 16.296 0.183 1.00 0.00 H new ATOM 0 HA ARG A 57 6.156 18.024 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.780 19.841 0.295 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.145 18.665 1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.696 17.709 -0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.706 19.421 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.641 18.049 1.664 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.566 19.068 0.579 1.00 0.00 H new ATOM 0 HE ARG A 57 9.929 19.941 2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.029 20.848 -0.438 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.865 22.579 -0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.723 22.166 3.177 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.130 23.321 1.903 1.00 0.00 H new ATOM 953 N ASP A 58 6.756 16.993 -2.405 1.00 0.00 N ATOM 954 CA ASP A 58 6.664 17.045 -3.854 1.00 0.00 C ATOM 955 C ASP A 58 5.248 16.684 -4.308 1.00 0.00 C ATOM 956 O ASP A 58 4.279 16.916 -3.586 1.00 0.00 O ATOM 957 CB ASP A 58 7.700 16.096 -4.471 1.00 0.00 C ATOM 958 CG ASP A 58 7.366 14.635 -4.236 1.00 0.00 C ATOM 959 OD1 ASP A 58 6.617 14.343 -3.280 1.00 0.00 O ATOM 960 OD2 ASP A 58 7.854 13.782 -5.007 1.00 0.00 O ATOM 0 H ASP A 58 6.528 16.083 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 58 6.877 18.059 -4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.765 16.282 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.682 16.313 -4.050 1.00 0.00 H new ATOM 965 N THR A 59 5.136 16.116 -5.502 1.00 0.00 N ATOM 966 CA THR A 59 3.843 15.719 -6.046 1.00 0.00 C ATOM 967 C THR A 59 3.817 14.223 -6.339 1.00 0.00 C ATOM 968 O THR A 59 4.851 13.556 -6.296 1.00 0.00 O ATOM 969 CB THR A 59 3.534 16.506 -7.322 1.00 0.00 C ATOM 970 OG1 THR A 59 2.319 16.065 -7.901 1.00 0.00 O ATOM 971 CG2 THR A 59 4.615 16.385 -8.375 1.00 0.00 C ATOM 0 H THR A 59 5.928 15.919 -6.114 1.00 0.00 H new ATOM 0 HA THR A 59 3.080 15.942 -5.300 1.00 0.00 H new ATOM 0 HB THR A 59 3.467 17.548 -7.010 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.138 16.581 -8.714 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.334 16.966 -9.253 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.556 16.763 -7.976 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.734 15.338 -8.655 1.00 0.00 H new ATOM 979 N GLN A 60 2.635 13.700 -6.650 1.00 0.00 N ATOM 980 CA GLN A 60 2.486 12.287 -6.961 1.00 0.00 C ATOM 981 C GLN A 60 2.662 12.055 -8.454 1.00 0.00 C ATOM 982 O GLN A 60 1.737 12.252 -9.242 1.00 0.00 O ATOM 983 CB GLN A 60 1.118 11.777 -6.513 1.00 0.00 C ATOM 984 CG GLN A 60 -0.036 12.676 -6.929 1.00 0.00 C ATOM 985 CD GLN A 60 -1.244 11.893 -7.407 1.00 0.00 C ATOM 986 OE1 GLN A 60 -1.898 12.271 -8.379 1.00 0.00 O ATOM 987 NE2 GLN A 60 -1.546 10.795 -6.722 1.00 0.00 N ATOM 0 H GLN A 60 1.768 14.235 -6.693 1.00 0.00 H new ATOM 0 HA GLN A 60 3.256 11.736 -6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.958 10.781 -6.926 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.115 11.676 -5.428 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.325 13.303 -6.086 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.297 13.344 -7.724 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.976 10.520 -5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.348 10.228 -6.996 1.00 0.00 H new ATOM 996 N ILE A 61 3.859 11.639 -8.827 1.00 0.00 N ATOM 997 CA ILE A 61 4.187 11.380 -10.223 1.00 0.00 C ATOM 998 C ILE A 61 3.676 10.017 -10.673 1.00 0.00 C ATOM 999 O ILE A 61 4.396 9.020 -10.622 1.00 0.00 O ATOM 1000 CB ILE A 61 5.709 11.465 -10.468 1.00 0.00 C ATOM 1001 CG1 ILE A 61 6.025 11.257 -11.950 1.00 0.00 C ATOM 1002 CG2 ILE A 61 6.446 10.446 -9.612 1.00 0.00 C ATOM 1003 CD1 ILE A 61 5.320 12.238 -12.863 1.00 0.00 C ATOM 0 H ILE A 61 4.628 11.471 -8.178 1.00 0.00 H new ATOM 0 HA ILE A 61 3.691 12.152 -10.811 1.00 0.00 H new ATOM 0 HB ILE A 61 6.050 12.460 -10.182 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.101 11.344 -12.099 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.744 10.243 -12.234 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.517 10.521 -9.798 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.246 10.643 -8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.103 9.443 -9.865 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.591 12.031 -13.898 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.241 12.136 -12.743 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.619 13.254 -12.606 1.00 0.00 H new ATOM 1015 N GLY A 62 2.428 9.985 -11.119 1.00 0.00 N ATOM 1016 CA GLY A 62 1.835 8.744 -11.581 1.00 0.00 C ATOM 1017 C GLY A 62 1.853 7.663 -10.521 1.00 0.00 C ATOM 1018 O GLY A 62 1.925 6.476 -10.840 1.00 0.00 O ATOM 0 H GLY A 62 1.814 10.798 -11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.806 8.929 -11.889 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.373 8.394 -12.462 1.00 0.00 H new ATOM 1022 N LEU A 63 1.791 8.074 -9.256 1.00 0.00 N ATOM 1023 CA LEU A 63 1.797 7.130 -8.138 1.00 0.00 C ATOM 1024 C LEU A 63 0.875 5.945 -8.416 1.00 0.00 C ATOM 1025 O LEU A 63 -0.246 6.117 -8.894 1.00 0.00 O ATOM 1026 CB LEU A 63 1.372 7.837 -6.846 1.00 0.00 C ATOM 1027 CG LEU A 63 2.504 8.118 -5.858 1.00 0.00 C ATOM 1028 CD1 LEU A 63 2.974 6.827 -5.204 1.00 0.00 C ATOM 1029 CD2 LEU A 63 3.663 8.814 -6.557 1.00 0.00 C ATOM 0 H LEU A 63 1.736 9.054 -8.979 1.00 0.00 H new ATOM 0 HA LEU A 63 2.812 6.751 -8.020 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.896 8.782 -7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.619 7.227 -6.347 1.00 0.00 H new ATOM 0 HG LEU A 63 2.124 8.780 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.780 7.046 -4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.143 6.367 -4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.336 6.142 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.459 9.006 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.042 8.177 -7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.319 9.759 -6.978 1.00 0.00 H new ATOM 1041 N THR A 64 1.363 4.742 -8.131 1.00 0.00 N ATOM 1042 CA THR A 64 0.586 3.531 -8.367 1.00 0.00 C ATOM 1043 C THR A 64 0.253 2.809 -7.065 1.00 0.00 C ATOM 1044 O THR A 64 0.775 3.140 -6.000 1.00 0.00 O ATOM 1045 CB THR A 64 1.350 2.592 -9.301 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.214 3.323 -10.152 1.00 0.00 O ATOM 1047 CG2 THR A 64 0.445 1.752 -10.177 1.00 0.00 C ATOM 0 H THR A 64 2.290 4.580 -7.738 1.00 0.00 H new ATOM 0 HA THR A 64 -0.353 3.827 -8.834 1.00 0.00 H new ATOM 0 HB THR A 64 1.912 1.928 -8.645 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.694 2.704 -10.740 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.051 1.109 -10.815 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.200 1.137 -9.550 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.168 2.405 -10.798 1.00 0.00 H new ATOM 1055 N MET A 65 -0.621 1.813 -7.167 1.00 0.00 N ATOM 1056 CA MET A 65 -1.038 1.027 -6.015 1.00 0.00 C ATOM 1057 C MET A 65 -0.801 -0.460 -6.266 1.00 0.00 C ATOM 1058 O MET A 65 -0.764 -0.901 -7.415 1.00 0.00 O ATOM 1059 CB MET A 65 -2.516 1.280 -5.715 1.00 0.00 C ATOM 1060 CG MET A 65 -2.865 2.753 -5.581 1.00 0.00 C ATOM 1061 SD MET A 65 -1.912 3.577 -4.291 1.00 0.00 S ATOM 1062 CE MET A 65 -1.453 5.093 -5.126 1.00 0.00 C ATOM 0 H MET A 65 -1.057 1.531 -8.045 1.00 0.00 H new ATOM 0 HA MET A 65 -0.443 1.332 -5.154 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.120 0.843 -6.510 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.784 0.766 -4.792 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.688 3.253 -6.533 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.928 2.852 -5.362 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.472 5.417 -4.779 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.419 4.920 -6.202 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.189 5.867 -4.906 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.631 -1.257 -5.198 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.664 -0.789 -3.810 1.00 0.00 C ATOM 1074 C PRO A 66 0.655 -0.155 -3.369 1.00 0.00 C ATOM 1075 O PRO A 66 1.733 -0.595 -3.769 1.00 0.00 O ATOM 1076 CB PRO A 66 -0.927 -2.072 -3.002 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.098 -3.163 -4.012 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.398 -2.697 -5.252 1.00 0.00 C ATOM 0 HA PRO A 66 -1.416 -0.012 -3.669 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.096 -2.288 -2.330 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -1.819 -1.969 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.670 -4.098 -3.651 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.154 -3.350 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.664 -2.941 -5.239 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.817 -3.146 -6.152 1.00 0.00 H new ATOM 1086 N GLN A 67 0.558 0.866 -2.524 1.00 0.00 N ATOM 1087 CA GLN A 67 1.737 1.548 -2.008 1.00 0.00 C ATOM 1088 C GLN A 67 1.888 1.268 -0.519 1.00 0.00 C ATOM 1089 O GLN A 67 1.013 1.604 0.276 1.00 0.00 O ATOM 1090 CB GLN A 67 1.640 3.054 -2.261 1.00 0.00 C ATOM 1091 CG GLN A 67 2.893 3.644 -2.884 1.00 0.00 C ATOM 1092 CD GLN A 67 3.116 3.170 -4.307 1.00 0.00 C ATOM 1093 OE1 GLN A 67 2.611 2.122 -4.710 1.00 0.00 O ATOM 1094 NE2 GLN A 67 3.881 3.938 -5.074 1.00 0.00 N ATOM 0 H GLN A 67 -0.327 1.239 -2.182 1.00 0.00 H new ATOM 0 HA GLN A 67 2.617 1.170 -2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.791 3.251 -2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.439 3.561 -1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.821 4.732 -2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.757 3.376 -2.276 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.279 4.799 -4.698 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.071 3.667 -6.039 1.00 0.00 H new ATOM 1103 N VAL A 68 2.984 0.625 -0.142 1.00 0.00 N ATOM 1104 CA VAL A 68 3.206 0.284 1.256 1.00 0.00 C ATOM 1105 C VAL A 68 3.948 1.390 2.000 1.00 0.00 C ATOM 1106 O VAL A 68 4.585 2.251 1.394 1.00 0.00 O ATOM 1107 CB VAL A 68 3.980 -1.042 1.402 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.745 -1.644 2.778 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.586 -2.025 0.308 1.00 0.00 C ATOM 0 H VAL A 68 3.726 0.331 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 68 2.219 0.167 1.702 1.00 0.00 H new ATOM 0 HB VAL A 68 5.044 -0.831 1.295 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.298 -2.579 2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.087 -0.947 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.681 -1.838 2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.146 -2.952 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.518 -2.234 0.374 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.812 -1.594 -0.667 1.00 0.00 H new ATOM 1119 N PHE A 69 3.859 1.350 3.326 1.00 0.00 N ATOM 1120 CA PHE A 69 4.509 2.340 4.179 1.00 0.00 C ATOM 1121 C PHE A 69 5.052 1.679 5.443 1.00 0.00 C ATOM 1122 O PHE A 69 4.445 0.751 5.977 1.00 0.00 O ATOM 1123 CB PHE A 69 3.515 3.438 4.562 1.00 0.00 C ATOM 1124 CG PHE A 69 3.276 4.438 3.470 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.063 5.571 3.370 1.00 0.00 C ATOM 1126 CD2 PHE A 69 2.262 4.244 2.545 1.00 0.00 C ATOM 1127 CE1 PHE A 69 3.846 6.495 2.366 1.00 0.00 C ATOM 1128 CE2 PHE A 69 2.040 5.165 1.539 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.833 6.292 1.448 1.00 0.00 C ATOM 0 H PHE A 69 3.339 0.637 3.837 1.00 0.00 H new ATOM 0 HA PHE A 69 5.338 2.781 3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.566 2.978 4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.884 3.959 5.446 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.856 5.735 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.639 3.364 2.611 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.468 7.376 2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.247 5.004 0.824 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.662 7.013 0.662 1.00 0.00 H new ATOM 1139 N ALA A 70 6.202 2.154 5.911 1.00 0.00 N ATOM 1140 CA ALA A 70 6.829 1.598 7.108 1.00 0.00 C ATOM 1141 C ALA A 70 5.883 1.647 8.309 1.00 0.00 C ATOM 1142 O ALA A 70 5.288 2.686 8.598 1.00 0.00 O ATOM 1143 CB ALA A 70 8.117 2.341 7.421 1.00 0.00 C ATOM 0 H ALA A 70 6.719 2.921 5.481 1.00 0.00 H new ATOM 0 HA ALA A 70 7.061 0.552 6.908 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.574 1.917 8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.805 2.245 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.897 3.395 7.591 1.00 0.00 H new ATOM 1149 N PRO A 71 5.744 0.521 9.039 1.00 0.00 N ATOM 1150 CA PRO A 71 4.874 0.445 10.219 1.00 0.00 C ATOM 1151 C PRO A 71 5.172 1.552 11.223 1.00 0.00 C ATOM 1152 O PRO A 71 4.314 1.930 12.021 1.00 0.00 O ATOM 1153 CB PRO A 71 5.188 -0.923 10.820 1.00 0.00 C ATOM 1154 CG PRO A 71 5.779 -1.724 9.710 1.00 0.00 C ATOM 1155 CD PRO A 71 6.441 -0.750 8.777 1.00 0.00 C ATOM 0 HA PRO A 71 3.824 0.569 9.956 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.885 -0.834 11.653 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.286 -1.397 11.208 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.502 -2.443 10.095 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.008 -2.293 9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.509 -0.668 8.977 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.334 -1.057 7.737 1.00 0.00 H new ATOM 1163 N ASP A 72 6.393 2.069 11.172 1.00 0.00 N ATOM 1164 CA ASP A 72 6.812 3.138 12.068 1.00 0.00 C ATOM 1165 C ASP A 72 8.025 3.862 11.498 1.00 0.00 C ATOM 1166 O ASP A 72 8.940 4.237 12.230 1.00 0.00 O ATOM 1167 CB ASP A 72 7.131 2.577 13.454 1.00 0.00 C ATOM 1168 CG ASP A 72 6.248 3.168 14.535 1.00 0.00 C ATOM 1169 OD1 ASP A 72 6.161 4.411 14.617 1.00 0.00 O ATOM 1170 OD2 ASP A 72 5.643 2.388 15.300 1.00 0.00 O ATOM 0 H ASP A 72 7.113 1.764 10.517 1.00 0.00 H new ATOM 0 HA ASP A 72 5.994 3.852 12.163 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.009 1.494 13.441 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.176 2.777 13.692 1.00 0.00 H new ATOM 1175 N GLY A 73 8.030 4.044 10.180 1.00 0.00 N ATOM 1176 CA GLY A 73 9.139 4.720 9.529 1.00 0.00 C ATOM 1177 C GLY A 73 8.689 5.640 8.413 1.00 0.00 C ATOM 1178 O GLY A 73 8.101 6.691 8.666 1.00 0.00 O ATOM 0 H GLY A 73 7.287 3.736 9.552 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.692 5.298 10.270 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.827 3.976 9.126 1.00 0.00 H new ATOM 1182 N SER A 74 8.975 5.248 7.176 1.00 0.00 N ATOM 1183 CA SER A 74 8.601 6.050 6.015 1.00 0.00 C ATOM 1184 C SER A 74 8.125 5.167 4.867 1.00 0.00 C ATOM 1185 O SER A 74 8.058 3.945 4.990 1.00 0.00 O ATOM 1186 CB SER A 74 9.786 6.902 5.557 1.00 0.00 C ATOM 1187 OG SER A 74 11.017 6.272 5.864 1.00 0.00 O ATOM 0 H SER A 74 9.464 4.381 6.951 1.00 0.00 H new ATOM 0 HA SER A 74 7.780 6.703 6.309 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.720 7.074 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.744 7.878 6.039 1.00 0.00 H new ATOM 0 HG SER A 74 11.758 6.836 5.559 1.00 0.00 H new ATOM 1193 N HIS A 75 7.792 5.806 3.752 1.00 0.00 N ATOM 1194 CA HIS A 75 7.316 5.104 2.566 1.00 0.00 C ATOM 1195 C HIS A 75 8.330 4.062 2.101 1.00 0.00 C ATOM 1196 O HIS A 75 9.508 4.370 1.915 1.00 0.00 O ATOM 1197 CB HIS A 75 7.051 6.119 1.452 1.00 0.00 C ATOM 1198 CG HIS A 75 6.626 5.504 0.155 1.00 0.00 C ATOM 1199 ND1 HIS A 75 7.256 5.736 -1.047 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.601 4.657 -0.116 1.00 0.00 C ATOM 1201 CE1 HIS A 75 6.610 5.039 -1.990 1.00 0.00 C ATOM 1202 NE2 HIS A 75 5.598 4.367 -1.477 1.00 0.00 N ATOM 0 H HIS A 75 7.844 6.819 3.644 1.00 0.00 H new ATOM 0 HA HIS A 75 6.392 4.582 2.814 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.279 6.813 1.783 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.955 6.704 1.285 1.00 0.00 H new ATOM 0 HD1 HIS A 75 8.070 6.333 -1.193 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.900 4.270 0.609 1.00 0.00 H new ATOM 0 HE1 HIS A 75 6.882 5.028 -3.035 1.00 0.00 H new ATOM 1210 N ILE A 76 7.866 2.830 1.910 1.00 0.00 N ATOM 1211 CA ILE A 76 8.740 1.749 1.459 1.00 0.00 C ATOM 1212 C ILE A 76 8.573 1.507 -0.036 1.00 0.00 C ATOM 1213 O ILE A 76 9.553 1.347 -0.764 1.00 0.00 O ATOM 1214 CB ILE A 76 8.462 0.432 2.213 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.539 0.649 3.723 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.442 -0.648 1.778 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.678 -0.313 4.510 1.00 0.00 C ATOM 0 H ILE A 76 6.895 2.555 2.059 1.00 0.00 H new ATOM 0 HA ILE A 76 9.762 2.063 1.671 1.00 0.00 H new ATOM 0 HB ILE A 76 7.453 0.102 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.575 0.546 4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.234 1.670 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.231 -1.570 2.320 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.338 -0.824 0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.460 -0.324 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.779 -0.104 5.575 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.636 -0.194 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.998 -1.335 4.309 1.00 0.00 H new ATOM 1229 N GLY A 77 7.323 1.476 -0.488 1.00 0.00 N ATOM 1230 CA GLY A 77 7.056 1.251 -1.895 1.00 0.00 C ATOM 1231 C GLY A 77 6.063 0.133 -2.133 1.00 0.00 C ATOM 1232 O GLY A 77 5.216 -0.151 -1.285 1.00 0.00 O ATOM 0 H GLY A 77 6.494 1.602 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.674 2.170 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.990 1.015 -2.404 1.00 0.00 H new ATOM 1236 N GLY A 78 6.167 -0.496 -3.296 1.00 0.00 N ATOM 1237 CA GLY A 78 5.272 -1.586 -3.638 1.00 0.00 C ATOM 1238 C GLY A 78 5.831 -2.934 -3.227 1.00 0.00 C ATOM 1239 O GLY A 78 6.408 -3.066 -2.149 1.00 0.00 O ATOM 0 H GLY A 78 6.858 -0.270 -4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.309 -1.430 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.091 -1.582 -4.713 1.00 0.00 H new ATOM 1243 N PHE A 79 5.672 -3.936 -4.085 1.00 0.00 N ATOM 1244 CA PHE A 79 6.181 -5.269 -3.790 1.00 0.00 C ATOM 1245 C PHE A 79 7.693 -5.318 -3.968 1.00 0.00 C ATOM 1246 O PHE A 79 8.431 -5.412 -2.990 1.00 0.00 O ATOM 1247 CB PHE A 79 5.504 -6.320 -4.671 1.00 0.00 C ATOM 1248 CG PHE A 79 5.473 -7.683 -4.038 1.00 0.00 C ATOM 1249 CD1 PHE A 79 6.583 -8.170 -3.372 1.00 0.00 C ATOM 1250 CD2 PHE A 79 4.340 -8.475 -4.110 1.00 0.00 C ATOM 1251 CE1 PHE A 79 6.567 -9.420 -2.790 1.00 0.00 C ATOM 1252 CE2 PHE A 79 4.320 -9.726 -3.530 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.435 -10.200 -2.870 1.00 0.00 C ATOM 0 H PHE A 79 5.198 -3.851 -4.984 1.00 0.00 H new ATOM 0 HA PHE A 79 5.948 -5.496 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 79 4.484 -6.002 -4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 79 6.029 -6.380 -5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.474 -7.563 -3.307 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.464 -8.110 -4.625 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.441 -9.787 -2.272 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.431 -10.335 -3.592 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.420 -11.180 -2.417 1.00 0.00 H new ATOM 1263 N ASP A 80 8.156 -5.238 -5.213 1.00 0.00 N ATOM 1264 CA ASP A 80 9.589 -5.269 -5.495 1.00 0.00 C ATOM 1265 C ASP A 80 10.332 -4.313 -4.568 1.00 0.00 C ATOM 1266 O ASP A 80 11.404 -4.631 -4.046 1.00 0.00 O ATOM 1267 CB ASP A 80 9.852 -4.891 -6.955 1.00 0.00 C ATOM 1268 CG ASP A 80 11.246 -5.278 -7.408 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.452 -6.463 -7.744 1.00 0.00 O ATOM 1270 OD2 ASP A 80 12.133 -4.398 -7.424 1.00 0.00 O ATOM 0 H ASP A 80 7.564 -5.152 -6.039 1.00 0.00 H new ATOM 0 HA ASP A 80 9.953 -6.282 -5.322 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.116 -5.381 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.717 -3.817 -7.080 1.00 0.00 H new ATOM 1275 N GLN A 81 9.739 -3.142 -4.359 1.00 0.00 N ATOM 1276 CA GLN A 81 10.322 -2.133 -3.489 1.00 0.00 C ATOM 1277 C GLN A 81 10.379 -2.639 -2.051 1.00 0.00 C ATOM 1278 O GLN A 81 11.354 -2.405 -1.337 1.00 0.00 O ATOM 1279 CB GLN A 81 9.506 -0.838 -3.558 1.00 0.00 C ATOM 1280 CG GLN A 81 10.353 0.407 -3.764 1.00 0.00 C ATOM 1281 CD GLN A 81 9.676 1.433 -4.653 1.00 0.00 C ATOM 1282 OE1 GLN A 81 9.141 2.433 -4.173 1.00 0.00 O ATOM 1283 NE2 GLN A 81 9.693 1.188 -5.958 1.00 0.00 N ATOM 0 H GLN A 81 8.852 -2.870 -4.783 1.00 0.00 H new ATOM 0 HA GLN A 81 11.337 -1.929 -3.828 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.786 -0.916 -4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.934 -0.730 -2.636 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.571 0.858 -2.796 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.308 0.123 -4.206 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.148 0.347 -6.313 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.251 1.841 -6.605 1.00 0.00 H new ATOM 1292 N LEU A 82 9.328 -3.339 -1.636 1.00 0.00 N ATOM 1293 CA LEU A 82 9.261 -3.881 -0.286 1.00 0.00 C ATOM 1294 C LEU A 82 10.159 -5.099 -0.123 1.00 0.00 C ATOM 1295 O LEU A 82 10.847 -5.230 0.888 1.00 0.00 O ATOM 1296 CB LEU A 82 7.836 -4.226 0.094 1.00 0.00 C ATOM 1297 CG LEU A 82 7.682 -4.534 1.573 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.712 -3.578 2.238 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.252 -5.965 1.758 1.00 0.00 C ATOM 0 H LEU A 82 8.513 -3.543 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 82 9.622 -3.104 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.183 -3.394 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.507 -5.087 -0.488 1.00 0.00 H new ATOM 0 HG LEU A 82 8.649 -4.397 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.624 -3.826 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.078 -2.557 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.734 -3.663 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.144 -6.178 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.297 -6.126 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.003 -6.629 1.330 1.00 0.00 H new ATOM 1311 N ARG A 83 10.180 -5.978 -1.121 1.00 0.00 N ATOM 1312 CA ARG A 83 11.034 -7.161 -1.060 1.00 0.00 C ATOM 1313 C ARG A 83 12.454 -6.736 -0.721 1.00 0.00 C ATOM 1314 O ARG A 83 13.179 -7.443 -0.023 1.00 0.00 O ATOM 1315 CB ARG A 83 11.009 -7.917 -2.390 1.00 0.00 C ATOM 1316 CG ARG A 83 11.470 -9.361 -2.278 1.00 0.00 C ATOM 1317 CD ARG A 83 11.024 -10.184 -3.475 1.00 0.00 C ATOM 1318 NE ARG A 83 11.890 -9.980 -4.634 1.00 0.00 N ATOM 1319 CZ ARG A 83 11.628 -10.457 -5.848 1.00 0.00 C ATOM 1320 NH1 ARG A 83 10.529 -11.166 -6.067 1.00 0.00 N ATOM 1321 NH2 ARG A 83 12.470 -10.225 -6.846 1.00 0.00 N ATOM 0 H ARG A 83 9.623 -5.896 -1.972 1.00 0.00 H new ATOM 0 HA ARG A 83 10.660 -7.831 -0.286 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.995 -7.898 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.644 -7.396 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 83 12.557 -9.392 -2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.071 -9.801 -1.364 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.020 -11.241 -3.207 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.000 -9.918 -3.737 1.00 0.00 H new ATOM 0 HE ARG A 83 12.746 -9.440 -4.505 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.879 -11.348 -5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.334 -11.529 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.317 -9.681 -6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.270 -10.590 -7.777 1.00 0.00 H new ATOM 1335 N GLU A 84 12.834 -5.554 -1.204 1.00 0.00 N ATOM 1336 CA GLU A 84 14.153 -5.013 -0.923 1.00 0.00 C ATOM 1337 C GLU A 84 14.237 -4.652 0.554 1.00 0.00 C ATOM 1338 O GLU A 84 15.279 -4.814 1.190 1.00 0.00 O ATOM 1339 CB GLU A 84 14.425 -3.778 -1.786 1.00 0.00 C ATOM 1340 CG GLU A 84 14.906 -4.110 -3.190 1.00 0.00 C ATOM 1341 CD GLU A 84 14.604 -3.007 -4.185 1.00 0.00 C ATOM 1342 OE1 GLU A 84 15.383 -2.031 -4.244 1.00 0.00 O ATOM 1343 OE2 GLU A 84 13.590 -3.116 -4.904 1.00 0.00 O ATOM 0 H GLU A 84 12.247 -4.959 -1.788 1.00 0.00 H new ATOM 0 HA GLU A 84 14.907 -5.763 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.513 -3.185 -1.854 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.173 -3.157 -1.292 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.981 -4.291 -3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.434 -5.034 -3.523 1.00 0.00 H new ATOM 1350 N TYR A 85 13.114 -4.187 1.097 1.00 0.00 N ATOM 1351 CA TYR A 85 13.029 -3.831 2.501 1.00 0.00 C ATOM 1352 C TYR A 85 13.242 -5.075 3.357 1.00 0.00 C ATOM 1353 O TYR A 85 13.827 -5.013 4.437 1.00 0.00 O ATOM 1354 CB TYR A 85 11.655 -3.219 2.791 1.00 0.00 C ATOM 1355 CG TYR A 85 11.551 -2.527 4.130 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.283 -3.247 5.287 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.713 -1.152 4.235 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.182 -2.616 6.511 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.614 -0.513 5.453 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.348 -1.249 6.590 1.00 0.00 C ATOM 1361 OH TYR A 85 11.249 -0.617 7.808 1.00 0.00 O ATOM 0 H TYR A 85 12.247 -4.049 0.577 1.00 0.00 H new ATOM 0 HA TYR A 85 13.801 -3.100 2.741 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.417 -2.502 2.005 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.902 -4.006 2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.152 -4.317 5.228 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.920 -0.573 3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.974 -3.190 7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.744 0.557 5.517 1.00 0.00 H new ATOM 0 HH TYR A 85 11.393 0.345 7.690 1.00 0.00 H new ATOM 1371 N PHE A 86 12.769 -6.211 2.844 1.00 0.00 N ATOM 1372 CA PHE A 86 12.894 -7.491 3.534 1.00 0.00 C ATOM 1373 C PHE A 86 14.201 -8.192 3.170 1.00 0.00 C ATOM 1374 O PHE A 86 15.110 -8.294 3.993 1.00 0.00 O ATOM 1375 CB PHE A 86 11.699 -8.384 3.177 1.00 0.00 C ATOM 1376 CG PHE A 86 10.465 -8.081 3.981 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.546 -7.858 5.348 1.00 0.00 C ATOM 1378 CD2 PHE A 86 9.228 -7.999 3.367 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.416 -7.561 6.082 1.00 0.00 C ATOM 1380 CE2 PHE A 86 8.095 -7.701 4.098 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.189 -7.480 5.455 1.00 0.00 C ATOM 0 H PHE A 86 12.292 -6.268 1.944 1.00 0.00 H new ATOM 0 HA PHE A 86 12.904 -7.304 4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.471 -8.267 2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.976 -9.427 3.330 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.504 -7.918 5.843 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.148 -8.170 2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.492 -7.392 7.146 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.135 -7.641 3.606 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.304 -7.244 6.027 1.00 0.00 H new ATOM 1391 N LYS A 87 14.288 -8.672 1.934 1.00 0.00 N ATOM 1392 CA LYS A 87 15.484 -9.365 1.464 1.00 0.00 C ATOM 1393 C LYS A 87 16.540 -8.370 0.994 1.00 0.00 C ATOM 1394 O LYS A 87 16.364 -7.794 -0.100 1.00 0.00 O ATOM 1395 CB LYS A 87 15.127 -10.324 0.327 1.00 0.00 C ATOM 1396 CG LYS A 87 14.025 -11.308 0.685 1.00 0.00 C ATOM 1397 CD LYS A 87 14.554 -12.454 1.532 1.00 0.00 C ATOM 1398 CE LYS A 87 13.422 -13.277 2.126 1.00 0.00 C ATOM 1399 NZ LYS A 87 13.161 -14.512 1.338 1.00 0.00 N ATOM 1400 OXT LYS A 87 17.535 -8.176 1.724 1.00 0.00 O ATOM 0 H LYS A 87 13.545 -8.594 1.239 1.00 0.00 H new ATOM 0 HA LYS A 87 15.895 -9.936 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.817 -9.744 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.019 -10.880 0.038 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.234 -10.789 1.227 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.579 -11.704 -0.227 1.00 0.00 H new ATOM 0 HD2 LYS A 87 15.190 -13.095 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.177 -12.058 2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 87 13.669 -13.547 3.153 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.516 -12.673 2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.383 -15.045 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.900 -14.254 0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.018 -15.101 1.322 1.00 0.00 H new