USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 770 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 69 THR OG1 : rot 89:sc= -0.206 USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= -0.0874 USER MOD Set 2.1: A 64 ASN : amide:sc= -1.59 K(o=-3.8,f=-11!) USER MOD Set 2.2: A 98 ASN : amide:sc= -2.25 K(o=-3.8,f=-1.4) USER MOD Set 3.1: A 6 ASN : amide:sc= -4.26! C(o=-4.6!,f=-5.3!) USER MOD Set 3.2: A 38 THR OG1 : rot -121:sc= -0.306 USER MOD Single : A 1 ASP N :NH3+ -114:sc= 0.0734 (180deg=-0.119) USER MOD Single : A 5 THR OG1 : rot -150:sc= 0.0046 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.791) USER MOD Single : A 15 LYS NZ :NH3+ -139:sc= -2.34 (180deg=-6.25!) USER MOD Single : A 16 TYR OH : rot 20:sc= -0.479 USER MOD Single : A 18 SER OG : rot -7:sc= 1.02 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00122 USER MOD Single : A 29 SER OG : rot 180:sc= -0.07 USER MOD Single : A 33 ASN : amide:sc= -5.6! K(o=-5.6!,f=-0.59) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -1.44! K(o=-1.4!,f=-0.17) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= 0.02 (180deg=-1.13!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 63 THR OG1 : rot -170:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 144:sc= 0.726 (180deg=0.175) USER MOD Single : A 73 LYS NZ :NH3+ 163:sc= -0.123 (180deg=-0.408) USER MOD Single : A 76 SER OG : rot -0:sc= 0.974 USER MOD Single : A 80 THR OG1 : rot 91:sc= -0.021 USER MOD Single : A 87 SER OG : rot -170:sc= 0.126 USER MOD Single : A 91 ASN : amide:sc= -3.61 K(o=-3.6,f=-7!) USER MOD Single : A 93 LYS NZ :NH3+ -125:sc= -2.63! (180deg=-5.1!) USER MOD Single : A 105 TYR OH : rot -71:sc= 0.489 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 80.961 24.392 -5.795 1.00 0.00 N ATOM 2 CA ASP A 1 81.739 25.500 -6.418 1.00 0.00 C ATOM 3 C ASP A 1 83.118 24.984 -6.840 1.00 0.00 C ATOM 4 O ASP A 1 83.706 24.165 -6.160 1.00 0.00 O ATOM 5 CB ASP A 1 81.922 26.654 -5.416 1.00 0.00 C ATOM 6 CG ASP A 1 80.541 27.192 -5.001 1.00 0.00 C ATOM 7 OD1 ASP A 1 80.011 26.652 -4.043 1.00 0.00 O ATOM 8 OD2 ASP A 1 80.094 28.114 -5.666 1.00 0.00 O ATOM 0 H1 ASP A 1 80.144 24.161 -6.396 1.00 0.00 H new ATOM 0 H2 ASP A 1 81.568 23.553 -5.698 1.00 0.00 H new ATOM 0 H3 ASP A 1 80.627 24.688 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 1 81.193 25.863 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 1 82.468 26.306 -4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 1 82.515 27.450 -5.865 1.00 0.00 H new ATOM 15 N ARG A 2 83.585 25.490 -7.958 1.00 0.00 N ATOM 16 CA ARG A 2 84.921 25.097 -8.518 1.00 0.00 C ATOM 17 C ARG A 2 85.059 23.566 -8.629 1.00 0.00 C ATOM 18 O ARG A 2 86.100 22.998 -8.357 1.00 0.00 O ATOM 19 CB ARG A 2 86.032 25.680 -7.599 1.00 0.00 C ATOM 20 CG ARG A 2 85.908 27.222 -7.549 1.00 0.00 C ATOM 21 CD ARG A 2 87.003 27.803 -6.639 1.00 0.00 C ATOM 22 NE ARG A 2 86.801 27.277 -5.253 1.00 0.00 N ATOM 23 CZ ARG A 2 87.638 27.559 -4.286 1.00 0.00 C ATOM 24 NH1 ARG A 2 88.680 28.317 -4.509 1.00 0.00 N ATOM 25 NH2 ARG A 2 87.399 27.064 -3.103 1.00 0.00 N ATOM 0 H ARG A 2 83.083 26.177 -8.520 1.00 0.00 H new ATOM 0 HA ARG A 2 85.018 25.500 -9.526 1.00 0.00 H new ATOM 0 HB2 ARG A 2 85.942 25.265 -6.595 1.00 0.00 H new ATOM 0 HB3 ARG A 2 87.015 25.396 -7.975 1.00 0.00 H new ATOM 0 HG2 ARG A 2 85.999 27.636 -8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 2 84.924 27.505 -7.176 1.00 0.00 H new ATOM 0 HD2 ARG A 2 87.990 27.524 -7.009 1.00 0.00 H new ATOM 0 HD3 ARG A 2 86.958 28.892 -6.641 1.00 0.00 H new ATOM 0 HE ARG A 2 85.993 26.686 -5.057 1.00 0.00 H new ATOM 0 HH11 ARG A 2 88.846 28.694 -5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 2 89.327 28.531 -3.750 1.00 0.00 H new ATOM 0 HH21 ARG A 2 86.579 26.476 -2.952 1.00 0.00 H new ATOM 0 HH22 ARG A 2 88.032 27.265 -2.329 1.00 0.00 H new ATOM 39 N ILE A 3 83.975 22.952 -9.033 1.00 0.00 N ATOM 40 CA ILE A 3 83.918 21.470 -9.201 1.00 0.00 C ATOM 41 C ILE A 3 84.474 21.074 -10.587 1.00 0.00 C ATOM 42 O ILE A 3 83.871 20.311 -11.318 1.00 0.00 O ATOM 43 CB ILE A 3 82.412 21.056 -8.997 1.00 0.00 C ATOM 44 CG1 ILE A 3 82.193 19.511 -9.017 1.00 0.00 C ATOM 45 CG2 ILE A 3 81.501 21.721 -10.065 1.00 0.00 C ATOM 46 CD1 ILE A 3 83.006 18.851 -7.895 1.00 0.00 C ATOM 0 H ILE A 3 83.104 23.432 -9.259 1.00 0.00 H new ATOM 0 HA ILE A 3 84.537 20.944 -8.474 1.00 0.00 H new ATOM 0 HB ILE A 3 82.138 21.414 -8.005 1.00 0.00 H new ATOM 0 HG12 ILE A 3 81.134 19.284 -8.892 1.00 0.00 H new ATOM 0 HG13 ILE A 3 82.494 19.105 -9.983 1.00 0.00 H new ATOM 0 HG21 ILE A 3 80.467 21.418 -9.901 1.00 0.00 H new ATOM 0 HG22 ILE A 3 81.579 22.805 -9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 3 81.817 21.407 -11.060 1.00 0.00 H new ATOM 0 HD11 ILE A 3 82.847 17.773 -7.916 1.00 0.00 H new ATOM 0 HD12 ILE A 3 84.065 19.065 -8.039 1.00 0.00 H new ATOM 0 HD13 ILE A 3 82.684 19.246 -6.932 1.00 0.00 H new ATOM 58 N CYS A 4 85.626 21.613 -10.913 1.00 0.00 N ATOM 59 CA CYS A 4 86.245 21.292 -12.231 1.00 0.00 C ATOM 60 C CYS A 4 87.060 19.986 -12.285 1.00 0.00 C ATOM 61 O CYS A 4 88.231 19.951 -12.613 1.00 0.00 O ATOM 62 CB CYS A 4 87.126 22.494 -12.665 1.00 0.00 C ATOM 63 SG CYS A 4 86.265 23.710 -13.691 1.00 0.00 S ATOM 0 H CYS A 4 86.158 22.256 -10.326 1.00 0.00 H new ATOM 0 HA CYS A 4 85.419 21.120 -12.921 1.00 0.00 H new ATOM 0 HB2 CYS A 4 87.507 22.992 -11.773 1.00 0.00 H new ATOM 0 HB3 CYS A 4 87.990 22.118 -13.214 1.00 0.00 H new ATOM 68 N THR A 5 86.367 18.935 -11.945 1.00 0.00 N ATOM 69 CA THR A 5 86.960 17.564 -11.935 1.00 0.00 C ATOM 70 C THR A 5 86.734 16.881 -13.286 1.00 0.00 C ATOM 71 O THR A 5 86.104 17.422 -14.170 1.00 0.00 O ATOM 72 CB THR A 5 86.298 16.718 -10.828 1.00 0.00 C ATOM 73 OG1 THR A 5 84.898 16.821 -11.061 1.00 0.00 O ATOM 74 CG2 THR A 5 86.524 17.329 -9.450 1.00 0.00 C ATOM 0 H THR A 5 85.387 18.969 -11.666 1.00 0.00 H new ATOM 0 HA THR A 5 88.030 17.648 -11.746 1.00 0.00 H new ATOM 0 HB THR A 5 86.701 15.705 -10.850 1.00 0.00 H new ATOM 0 HG1 THR A 5 84.418 16.744 -10.210 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.044 16.708 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.594 17.386 -9.248 1.00 0.00 H new ATOM 0 HG23 THR A 5 86.096 18.331 -9.422 1.00 0.00 H new ATOM 82 N ASN A 6 87.281 15.705 -13.389 1.00 0.00 N ATOM 83 CA ASN A 6 87.153 14.878 -14.628 1.00 0.00 C ATOM 84 C ASN A 6 87.500 13.429 -14.269 1.00 0.00 C ATOM 85 O ASN A 6 87.683 13.122 -13.105 1.00 0.00 O ATOM 86 CB ASN A 6 88.090 15.436 -15.750 1.00 0.00 C ATOM 87 CG ASN A 6 89.551 15.619 -15.356 1.00 0.00 C ATOM 88 OD1 ASN A 6 90.031 15.150 -14.345 1.00 0.00 O ATOM 89 ND2 ASN A 6 90.286 16.318 -16.174 1.00 0.00 N ATOM 0 H ASN A 6 87.827 15.267 -12.648 1.00 0.00 H new ATOM 0 HA ASN A 6 86.135 14.918 -15.015 1.00 0.00 H new ATOM 0 HB2 ASN A 6 88.044 14.762 -16.605 1.00 0.00 H new ATOM 0 HB3 ASN A 6 87.698 16.398 -16.081 1.00 0.00 H new ATOM 0 HD21 ASN A 6 91.272 16.474 -15.967 1.00 0.00 H new ATOM 0 HD22 ASN A 6 89.875 16.709 -17.022 1.00 0.00 H new ATOM 96 N CYS A 7 87.589 12.570 -15.251 1.00 0.00 N ATOM 97 CA CYS A 7 87.914 11.140 -14.949 1.00 0.00 C ATOM 98 C CYS A 7 89.391 10.846 -14.605 1.00 0.00 C ATOM 99 O CYS A 7 89.716 9.755 -14.174 1.00 0.00 O ATOM 100 CB CYS A 7 87.477 10.291 -16.156 1.00 0.00 C ATOM 101 SG CYS A 7 86.982 8.628 -15.657 1.00 0.00 S ATOM 0 H CYS A 7 87.453 12.790 -16.238 1.00 0.00 H new ATOM 0 HA CYS A 7 87.371 10.886 -14.039 1.00 0.00 H new ATOM 0 HB2 CYS A 7 86.646 10.781 -16.664 1.00 0.00 H new ATOM 0 HB3 CYS A 7 88.296 10.228 -16.872 1.00 0.00 H new ATOM 106 N CYS A 8 90.241 11.820 -14.810 1.00 0.00 N ATOM 107 CA CYS A 8 91.706 11.662 -14.516 1.00 0.00 C ATOM 108 C CYS A 8 92.049 12.112 -13.092 1.00 0.00 C ATOM 109 O CYS A 8 92.878 11.529 -12.423 1.00 0.00 O ATOM 110 CB CYS A 8 92.456 12.489 -15.530 1.00 0.00 C ATOM 111 SG CYS A 8 94.205 12.138 -15.836 1.00 0.00 S ATOM 0 H CYS A 8 89.981 12.736 -15.175 1.00 0.00 H new ATOM 0 HA CYS A 8 91.988 10.611 -14.584 1.00 0.00 H new ATOM 0 HB2 CYS A 8 91.932 12.397 -16.481 1.00 0.00 H new ATOM 0 HB3 CYS A 8 92.379 13.532 -15.224 1.00 0.00 H new ATOM 116 N ALA A 9 91.371 13.160 -12.709 1.00 0.00 N ATOM 117 CA ALA A 9 91.522 13.798 -11.363 1.00 0.00 C ATOM 118 C ALA A 9 90.872 12.989 -10.220 1.00 0.00 C ATOM 119 O ALA A 9 90.012 13.467 -9.503 1.00 0.00 O ATOM 120 CB ALA A 9 90.906 15.210 -11.444 1.00 0.00 C ATOM 0 H ALA A 9 90.684 13.624 -13.304 1.00 0.00 H new ATOM 0 HA ALA A 9 92.584 13.838 -11.120 1.00 0.00 H new ATOM 0 HB1 ALA A 9 91.000 15.704 -10.477 1.00 0.00 H new ATOM 0 HB2 ALA A 9 91.430 15.793 -12.201 1.00 0.00 H new ATOM 0 HB3 ALA A 9 89.852 15.132 -11.711 1.00 0.00 H new ATOM 126 N GLY A 10 91.320 11.769 -10.097 1.00 0.00 N ATOM 127 CA GLY A 10 90.813 10.841 -9.045 1.00 0.00 C ATOM 128 C GLY A 10 91.801 9.686 -8.861 1.00 0.00 C ATOM 129 O GLY A 10 92.955 9.918 -8.561 1.00 0.00 O ATOM 0 H GLY A 10 92.037 11.366 -10.700 1.00 0.00 H new ATOM 0 HA2 GLY A 10 90.684 11.377 -8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 10 89.834 10.454 -9.328 1.00 0.00 H new ATOM 133 N THR A 11 91.323 8.479 -9.050 1.00 0.00 N ATOM 134 CA THR A 11 92.201 7.275 -8.893 1.00 0.00 C ATOM 135 C THR A 11 91.915 6.217 -9.964 1.00 0.00 C ATOM 136 O THR A 11 90.789 5.782 -10.103 1.00 0.00 O ATOM 137 CB THR A 11 91.966 6.665 -7.491 1.00 0.00 C ATOM 138 OG1 THR A 11 92.267 7.696 -6.562 1.00 0.00 O ATOM 139 CG2 THR A 11 92.986 5.550 -7.173 1.00 0.00 C ATOM 0 H THR A 11 90.357 8.275 -9.308 1.00 0.00 H new ATOM 0 HA THR A 11 93.238 7.590 -9.008 1.00 0.00 H new ATOM 0 HB THR A 11 90.951 6.270 -7.445 1.00 0.00 H new ATOM 0 HG1 THR A 11 92.133 7.364 -5.650 1.00 0.00 H new ATOM 0 HG21 THR A 11 92.787 5.147 -6.180 1.00 0.00 H new ATOM 0 HG22 THR A 11 92.897 4.754 -7.912 1.00 0.00 H new ATOM 0 HG23 THR A 11 93.995 5.961 -7.203 1.00 0.00 H new ATOM 147 N LYS A 12 92.951 5.847 -10.680 1.00 0.00 N ATOM 148 CA LYS A 12 92.834 4.818 -11.760 1.00 0.00 C ATOM 149 C LYS A 12 92.519 3.444 -11.125 1.00 0.00 C ATOM 150 O LYS A 12 93.405 2.661 -10.838 1.00 0.00 O ATOM 151 CB LYS A 12 94.172 4.781 -12.537 1.00 0.00 C ATOM 152 CG LYS A 12 94.049 3.854 -13.771 1.00 0.00 C ATOM 153 CD LYS A 12 95.338 3.905 -14.632 1.00 0.00 C ATOM 154 CE LYS A 12 96.549 3.332 -13.865 1.00 0.00 C ATOM 155 NZ LYS A 12 97.749 3.333 -14.751 1.00 0.00 N ATOM 0 H LYS A 12 93.891 6.224 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 12 92.026 5.064 -12.449 1.00 0.00 H new ATOM 0 HB2 LYS A 12 94.444 5.787 -12.855 1.00 0.00 H new ATOM 0 HB3 LYS A 12 94.970 4.426 -11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 12 93.865 2.830 -13.445 1.00 0.00 H new ATOM 0 HG3 LYS A 12 93.192 4.156 -14.374 1.00 0.00 H new ATOM 0 HD2 LYS A 12 95.186 3.339 -15.551 1.00 0.00 H new ATOM 0 HD3 LYS A 12 95.543 4.935 -14.922 1.00 0.00 H new ATOM 0 HE2 LYS A 12 96.743 3.928 -12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 12 96.333 2.318 -13.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 98.610 3.364 -14.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 97.753 2.469 -15.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 97.721 4.167 -15.372 1.00 0.00 H new ATOM 169 N GLY A 13 91.247 3.209 -10.925 1.00 0.00 N ATOM 170 CA GLY A 13 90.766 1.930 -10.320 1.00 0.00 C ATOM 171 C GLY A 13 89.389 2.124 -9.665 1.00 0.00 C ATOM 172 O GLY A 13 88.682 1.162 -9.436 1.00 0.00 O ATOM 0 H GLY A 13 90.504 3.867 -11.162 1.00 0.00 H new ATOM 0 HA2 GLY A 13 90.704 1.159 -11.088 1.00 0.00 H new ATOM 0 HA3 GLY A 13 91.482 1.582 -9.576 1.00 0.00 H new ATOM 176 N CYS A 14 89.051 3.361 -9.389 1.00 0.00 N ATOM 177 CA CYS A 14 87.738 3.689 -8.748 1.00 0.00 C ATOM 178 C CYS A 14 86.683 3.912 -9.834 1.00 0.00 C ATOM 179 O CYS A 14 86.984 3.768 -11.002 1.00 0.00 O ATOM 180 CB CYS A 14 87.921 4.951 -7.890 1.00 0.00 C ATOM 181 SG CYS A 14 89.038 4.814 -6.472 1.00 0.00 S ATOM 0 H CYS A 14 89.640 4.171 -9.584 1.00 0.00 H new ATOM 0 HA CYS A 14 87.402 2.869 -8.113 1.00 0.00 H new ATOM 0 HB2 CYS A 14 88.286 5.751 -8.534 1.00 0.00 H new ATOM 0 HB3 CYS A 14 86.942 5.258 -7.523 1.00 0.00 H new ATOM 186 N LYS A 15 85.484 4.253 -9.434 1.00 0.00 N ATOM 187 CA LYS A 15 84.386 4.491 -10.415 1.00 0.00 C ATOM 188 C LYS A 15 83.691 5.825 -10.119 1.00 0.00 C ATOM 189 O LYS A 15 82.890 5.913 -9.208 1.00 0.00 O ATOM 190 CB LYS A 15 83.352 3.319 -10.337 1.00 0.00 C ATOM 191 CG LYS A 15 83.702 2.141 -11.304 1.00 0.00 C ATOM 192 CD LYS A 15 84.872 1.207 -10.859 1.00 0.00 C ATOM 193 CE LYS A 15 84.480 0.285 -9.683 1.00 0.00 C ATOM 194 NZ LYS A 15 84.344 1.051 -8.417 1.00 0.00 N ATOM 0 H LYS A 15 85.218 4.378 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 15 84.807 4.534 -11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 15 83.310 2.944 -9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.359 3.699 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 15 82.809 1.531 -11.438 1.00 0.00 H new ATOM 0 HG3 LYS A 15 83.951 2.560 -12.279 1.00 0.00 H new ATOM 0 HD2 LYS A 15 85.187 0.597 -11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 15 85.728 1.816 -10.569 1.00 0.00 H new ATOM 0 HE2 LYS A 15 83.539 -0.217 -9.910 1.00 0.00 H new ATOM 0 HE3 LYS A 15 85.234 -0.492 -9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 84.759 0.506 -7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 84.840 1.961 -8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 83.337 1.224 -8.222 1.00 0.00 H new ATOM 208 N TYR A 16 84.029 6.825 -10.903 1.00 0.00 N ATOM 209 CA TYR A 16 83.423 8.187 -10.729 1.00 0.00 C ATOM 210 C TYR A 16 81.902 8.070 -10.804 1.00 0.00 C ATOM 211 O TYR A 16 81.381 7.308 -11.596 1.00 0.00 O ATOM 212 CB TYR A 16 83.864 9.135 -11.838 1.00 0.00 C ATOM 213 CG TYR A 16 85.354 9.479 -11.744 1.00 0.00 C ATOM 214 CD1 TYR A 16 86.307 8.637 -12.277 1.00 0.00 C ATOM 215 CD2 TYR A 16 85.762 10.656 -11.144 1.00 0.00 C ATOM 216 CE1 TYR A 16 87.639 8.970 -12.213 1.00 0.00 C ATOM 217 CE2 TYR A 16 87.099 10.987 -11.082 1.00 0.00 C ATOM 218 CZ TYR A 16 88.046 10.143 -11.620 1.00 0.00 C ATOM 219 OH TYR A 16 89.385 10.467 -11.580 1.00 0.00 O ATOM 0 H TYR A 16 84.705 6.754 -11.663 1.00 0.00 H new ATOM 0 HA TYR A 16 83.750 8.578 -9.765 1.00 0.00 H new ATOM 0 HB2 TYR A 16 83.658 8.680 -12.807 1.00 0.00 H new ATOM 0 HB3 TYR A 16 83.277 10.052 -11.785 1.00 0.00 H new ATOM 0 HD1 TYR A 16 86.006 7.712 -12.747 1.00 0.00 H new ATOM 0 HD2 TYR A 16 85.026 11.323 -10.720 1.00 0.00 H new ATOM 0 HE1 TYR A 16 88.376 8.302 -12.634 1.00 0.00 H new ATOM 0 HE2 TYR A 16 87.405 11.910 -10.611 1.00 0.00 H new ATOM 0 HH TYR A 16 89.866 9.956 -12.264 1.00 0.00 H new ATOM 229 N PHE A 17 81.254 8.841 -9.973 1.00 0.00 N ATOM 230 CA PHE A 17 79.768 8.840 -9.917 1.00 0.00 C ATOM 231 C PHE A 17 79.190 10.201 -9.507 1.00 0.00 C ATOM 232 O PHE A 17 79.812 10.972 -8.804 1.00 0.00 O ATOM 233 CB PHE A 17 79.416 7.699 -8.941 1.00 0.00 C ATOM 234 CG PHE A 17 78.048 7.833 -8.271 1.00 0.00 C ATOM 235 CD1 PHE A 17 77.873 8.762 -7.267 1.00 0.00 C ATOM 236 CD2 PHE A 17 76.988 7.037 -8.651 1.00 0.00 C ATOM 237 CE1 PHE A 17 76.656 8.894 -6.653 1.00 0.00 C ATOM 238 CE2 PHE A 17 75.764 7.168 -8.038 1.00 0.00 C ATOM 239 CZ PHE A 17 75.600 8.101 -7.033 1.00 0.00 C ATOM 0 H PHE A 17 81.703 9.483 -9.319 1.00 0.00 H new ATOM 0 HA PHE A 17 79.320 8.672 -10.896 1.00 0.00 H new ATOM 0 HB2 PHE A 17 79.450 6.753 -9.481 1.00 0.00 H new ATOM 0 HB3 PHE A 17 80.182 7.652 -8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 17 78.699 9.388 -6.964 1.00 0.00 H new ATOM 0 HD2 PHE A 17 77.120 6.306 -9.435 1.00 0.00 H new ATOM 0 HE1 PHE A 17 76.526 9.624 -5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 17 74.936 6.545 -8.341 1.00 0.00 H new ATOM 0 HZ PHE A 17 74.642 8.207 -6.546 1.00 0.00 H new ATOM 249 N SER A 18 77.996 10.422 -9.991 1.00 0.00 N ATOM 250 CA SER A 18 77.224 11.668 -9.736 1.00 0.00 C ATOM 251 C SER A 18 76.130 11.476 -8.659 1.00 0.00 C ATOM 252 O SER A 18 75.367 10.529 -8.695 1.00 0.00 O ATOM 253 CB SER A 18 76.618 12.084 -11.068 1.00 0.00 C ATOM 254 OG SER A 18 75.719 11.050 -11.438 1.00 0.00 O ATOM 0 H SER A 18 77.504 9.752 -10.582 1.00 0.00 H new ATOM 0 HA SER A 18 77.883 12.441 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 18 76.098 13.037 -10.977 1.00 0.00 H new ATOM 0 HB3 SER A 18 77.393 12.214 -11.824 1.00 0.00 H new ATOM 0 HG SER A 18 75.811 10.298 -10.816 1.00 0.00 H new ATOM 260 N ASP A 19 76.116 12.420 -7.749 1.00 0.00 N ATOM 261 CA ASP A 19 75.166 12.483 -6.585 1.00 0.00 C ATOM 262 C ASP A 19 73.689 12.203 -6.887 1.00 0.00 C ATOM 263 O ASP A 19 72.985 11.688 -6.039 1.00 0.00 O ATOM 264 CB ASP A 19 75.266 13.880 -5.947 1.00 0.00 C ATOM 265 CG ASP A 19 74.863 14.943 -6.992 1.00 0.00 C ATOM 266 OD1 ASP A 19 75.730 15.301 -7.773 1.00 0.00 O ATOM 267 OD2 ASP A 19 73.708 15.334 -6.952 1.00 0.00 O ATOM 0 H ASP A 19 76.770 13.203 -7.768 1.00 0.00 H new ATOM 0 HA ASP A 19 75.482 11.674 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 19 74.614 13.943 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 19 76.282 14.062 -5.598 1.00 0.00 H new ATOM 272 N ASP A 20 73.267 12.550 -8.076 1.00 0.00 N ATOM 273 CA ASP A 20 71.843 12.332 -8.489 1.00 0.00 C ATOM 274 C ASP A 20 71.397 10.869 -8.335 1.00 0.00 C ATOM 275 O ASP A 20 70.217 10.577 -8.350 1.00 0.00 O ATOM 276 CB ASP A 20 71.696 12.788 -9.957 1.00 0.00 C ATOM 277 CG ASP A 20 72.828 12.196 -10.817 1.00 0.00 C ATOM 278 OD1 ASP A 20 72.890 10.980 -10.894 1.00 0.00 O ATOM 279 OD2 ASP A 20 73.573 13.000 -11.350 1.00 0.00 O ATOM 0 H ASP A 20 73.855 12.981 -8.789 1.00 0.00 H new ATOM 0 HA ASP A 20 71.198 12.916 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 20 70.729 12.471 -10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 20 71.720 13.876 -10.011 1.00 0.00 H new ATOM 284 N GLY A 21 72.371 10.006 -8.194 1.00 0.00 N ATOM 285 CA GLY A 21 72.107 8.546 -8.030 1.00 0.00 C ATOM 286 C GLY A 21 72.516 7.772 -9.281 1.00 0.00 C ATOM 287 O GLY A 21 71.982 6.708 -9.531 1.00 0.00 O ATOM 0 H GLY A 21 73.359 10.259 -8.186 1.00 0.00 H new ATOM 0 HA2 GLY A 21 72.657 8.168 -7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 21 71.048 8.385 -7.828 1.00 0.00 H new ATOM 291 N THR A 22 73.443 8.318 -10.031 1.00 0.00 N ATOM 292 CA THR A 22 73.908 7.636 -11.276 1.00 0.00 C ATOM 293 C THR A 22 75.433 7.683 -11.375 1.00 0.00 C ATOM 294 O THR A 22 76.067 8.579 -10.861 1.00 0.00 O ATOM 295 CB THR A 22 73.291 8.352 -12.480 1.00 0.00 C ATOM 296 OG1 THR A 22 71.889 8.323 -12.245 1.00 0.00 O ATOM 297 CG2 THR A 22 73.476 7.561 -13.789 1.00 0.00 C ATOM 0 H THR A 22 73.898 9.209 -9.832 1.00 0.00 H new ATOM 0 HA THR A 22 73.598 6.591 -11.256 1.00 0.00 H new ATOM 0 HB THR A 22 73.746 9.337 -12.581 1.00 0.00 H new ATOM 0 HG1 THR A 22 71.424 8.770 -12.983 1.00 0.00 H new ATOM 0 HG21 THR A 22 73.021 8.110 -14.613 1.00 0.00 H new ATOM 0 HG22 THR A 22 74.540 7.426 -13.986 1.00 0.00 H new ATOM 0 HG23 THR A 22 72.998 6.586 -13.695 1.00 0.00 H new ATOM 305 N PHE A 23 75.963 6.696 -12.041 1.00 0.00 N ATOM 306 CA PHE A 23 77.434 6.562 -12.257 1.00 0.00 C ATOM 307 C PHE A 23 77.902 7.580 -13.318 1.00 0.00 C ATOM 308 O PHE A 23 77.087 8.201 -13.973 1.00 0.00 O ATOM 309 CB PHE A 23 77.631 5.102 -12.665 1.00 0.00 C ATOM 310 CG PHE A 23 78.976 4.838 -13.362 1.00 0.00 C ATOM 311 CD1 PHE A 23 80.111 4.546 -12.650 1.00 0.00 C ATOM 312 CD2 PHE A 23 79.060 4.887 -14.733 1.00 0.00 C ATOM 313 CE1 PHE A 23 81.307 4.306 -13.293 1.00 0.00 C ATOM 314 CE2 PHE A 23 80.248 4.648 -15.388 1.00 0.00 C ATOM 315 CZ PHE A 23 81.421 4.348 -14.689 1.00 0.00 C ATOM 0 H PHE A 23 75.415 5.946 -12.462 1.00 0.00 H new ATOM 0 HA PHE A 23 78.036 6.786 -11.376 1.00 0.00 H new ATOM 0 HB2 PHE A 23 77.560 4.472 -11.778 1.00 0.00 H new ATOM 0 HB3 PHE A 23 76.821 4.806 -13.332 1.00 0.00 H new ATOM 0 HD1 PHE A 23 80.068 4.503 -11.572 1.00 0.00 H new ATOM 0 HD2 PHE A 23 78.176 5.118 -15.309 1.00 0.00 H new ATOM 0 HE1 PHE A 23 82.182 4.079 -12.703 1.00 0.00 H new ATOM 0 HE2 PHE A 23 80.274 4.693 -16.467 1.00 0.00 H new ATOM 0 HZ PHE A 23 82.357 4.160 -15.194 1.00 0.00 H new ATOM 325 N VAL A 24 79.200 7.718 -13.451 1.00 0.00 N ATOM 326 CA VAL A 24 79.783 8.676 -14.445 1.00 0.00 C ATOM 327 C VAL A 24 80.883 8.035 -15.311 1.00 0.00 C ATOM 328 O VAL A 24 80.685 7.860 -16.498 1.00 0.00 O ATOM 329 CB VAL A 24 80.342 9.904 -13.658 1.00 0.00 C ATOM 330 CG1 VAL A 24 81.055 10.885 -14.614 1.00 0.00 C ATOM 331 CG2 VAL A 24 79.170 10.662 -13.002 1.00 0.00 C ATOM 0 H VAL A 24 79.889 7.201 -12.906 1.00 0.00 H new ATOM 0 HA VAL A 24 79.000 8.985 -15.138 1.00 0.00 H new ATOM 0 HB VAL A 24 81.046 9.539 -12.910 1.00 0.00 H new ATOM 0 HG11 VAL A 24 81.437 11.733 -14.046 1.00 0.00 H new ATOM 0 HG12 VAL A 24 81.883 10.376 -15.107 1.00 0.00 H new ATOM 0 HG13 VAL A 24 80.349 11.239 -15.365 1.00 0.00 H new ATOM 0 HG21 VAL A 24 79.555 11.520 -12.451 1.00 0.00 H new ATOM 0 HG22 VAL A 24 78.481 11.005 -13.774 1.00 0.00 H new ATOM 0 HG23 VAL A 24 78.645 9.997 -12.317 1.00 0.00 H new ATOM 341 N CYS A 25 82.001 7.703 -14.711 1.00 0.00 N ATOM 342 CA CYS A 25 83.123 7.077 -15.492 1.00 0.00 C ATOM 343 C CYS A 25 83.984 6.216 -14.552 1.00 0.00 C ATOM 344 O CYS A 25 83.633 6.022 -13.405 1.00 0.00 O ATOM 345 CB CYS A 25 83.996 8.187 -16.104 1.00 0.00 C ATOM 346 SG CYS A 25 85.128 8.945 -14.917 1.00 0.00 S ATOM 0 H CYS A 25 82.188 7.837 -13.717 1.00 0.00 H new ATOM 0 HA CYS A 25 82.711 6.452 -16.285 1.00 0.00 H new ATOM 0 HB2 CYS A 25 84.573 7.772 -16.931 1.00 0.00 H new ATOM 0 HB3 CYS A 25 83.350 8.959 -16.522 1.00 0.00 H new ATOM 351 N GLU A 26 85.088 5.729 -15.068 1.00 0.00 N ATOM 352 CA GLU A 26 86.013 4.877 -14.255 1.00 0.00 C ATOM 353 C GLU A 26 87.448 5.430 -14.297 1.00 0.00 C ATOM 354 O GLU A 26 87.897 5.926 -15.312 1.00 0.00 O ATOM 355 CB GLU A 26 85.969 3.447 -14.824 1.00 0.00 C ATOM 356 CG GLU A 26 86.756 2.490 -13.905 1.00 0.00 C ATOM 357 CD GLU A 26 86.675 1.069 -14.477 1.00 0.00 C ATOM 358 OE1 GLU A 26 85.644 0.454 -14.250 1.00 0.00 O ATOM 359 OE2 GLU A 26 87.643 0.679 -15.108 1.00 0.00 O ATOM 0 H GLU A 26 85.390 5.888 -16.029 1.00 0.00 H new ATOM 0 HA GLU A 26 85.695 4.877 -13.212 1.00 0.00 H new ATOM 0 HB2 GLU A 26 84.935 3.113 -14.911 1.00 0.00 H new ATOM 0 HB3 GLU A 26 86.394 3.433 -15.828 1.00 0.00 H new ATOM 0 HG2 GLU A 26 87.796 2.808 -13.833 1.00 0.00 H new ATOM 0 HG3 GLU A 26 86.344 2.514 -12.896 1.00 0.00 H new ATOM 366 N GLY A 27 88.103 5.309 -13.166 1.00 0.00 N ATOM 367 CA GLY A 27 89.510 5.765 -12.946 1.00 0.00 C ATOM 368 C GLY A 27 90.409 5.797 -14.185 1.00 0.00 C ATOM 369 O GLY A 27 90.561 4.798 -14.861 1.00 0.00 O ATOM 0 H GLY A 27 87.688 4.885 -12.337 1.00 0.00 H new ATOM 0 HA2 GLY A 27 89.483 6.766 -12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 27 89.970 5.112 -12.205 1.00 0.00 H new ATOM 373 N GLU A 28 90.972 6.954 -14.431 1.00 0.00 N ATOM 374 CA GLU A 28 91.880 7.146 -15.602 1.00 0.00 C ATOM 375 C GLU A 28 93.315 7.450 -15.121 1.00 0.00 C ATOM 376 O GLU A 28 94.257 7.233 -15.859 1.00 0.00 O ATOM 377 CB GLU A 28 91.323 8.310 -16.440 1.00 0.00 C ATOM 378 CG GLU A 28 92.127 8.500 -17.741 1.00 0.00 C ATOM 379 CD GLU A 28 91.656 9.793 -18.429 1.00 0.00 C ATOM 380 OE1 GLU A 28 90.554 9.769 -18.956 1.00 0.00 O ATOM 381 OE2 GLU A 28 92.429 10.736 -18.386 1.00 0.00 O ATOM 0 H GLU A 28 90.838 7.788 -13.859 1.00 0.00 H new ATOM 0 HA GLU A 28 91.924 6.240 -16.207 1.00 0.00 H new ATOM 0 HB2 GLU A 28 90.277 8.119 -16.681 1.00 0.00 H new ATOM 0 HB3 GLU A 28 91.353 9.229 -15.854 1.00 0.00 H new ATOM 0 HG2 GLU A 28 93.193 8.556 -17.521 1.00 0.00 H new ATOM 0 HG3 GLU A 28 91.982 7.646 -18.403 1.00 0.00 H new ATOM 388 N SER A 29 93.452 7.935 -13.907 1.00 0.00 N ATOM 389 CA SER A 29 94.811 8.260 -13.369 1.00 0.00 C ATOM 390 C SER A 29 94.817 8.246 -11.833 1.00 0.00 C ATOM 391 O SER A 29 93.806 8.460 -11.191 1.00 0.00 O ATOM 392 CB SER A 29 95.230 9.653 -13.894 1.00 0.00 C ATOM 393 OG SER A 29 96.520 9.885 -13.344 1.00 0.00 O ATOM 0 H SER A 29 92.680 8.119 -13.267 1.00 0.00 H new ATOM 0 HA SER A 29 95.520 7.504 -13.706 1.00 0.00 H new ATOM 0 HB2 SER A 29 95.257 9.672 -14.984 1.00 0.00 H new ATOM 0 HB3 SER A 29 94.524 10.421 -13.580 1.00 0.00 H new ATOM 0 HG SER A 29 96.850 10.759 -13.641 1.00 0.00 H new ATOM 399 N ASP A 30 95.992 7.993 -11.321 1.00 0.00 N ATOM 400 CA ASP A 30 96.250 7.922 -9.849 1.00 0.00 C ATOM 401 C ASP A 30 96.359 9.364 -9.292 1.00 0.00 C ATOM 402 O ASP A 30 96.930 10.204 -9.960 1.00 0.00 O ATOM 403 CB ASP A 30 97.555 7.120 -9.691 1.00 0.00 C ATOM 404 CG ASP A 30 97.966 6.991 -8.220 1.00 0.00 C ATOM 405 OD1 ASP A 30 98.606 7.923 -7.761 1.00 0.00 O ATOM 406 OD2 ASP A 30 97.619 5.974 -7.640 1.00 0.00 O ATOM 0 H ASP A 30 96.822 7.825 -11.889 1.00 0.00 H new ATOM 0 HA ASP A 30 95.452 7.433 -9.290 1.00 0.00 H new ATOM 0 HB2 ASP A 30 97.426 6.127 -10.121 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.353 7.609 -10.250 1.00 0.00 H new ATOM 411 N PRO A 31 95.831 9.625 -8.108 1.00 0.00 N ATOM 412 CA PRO A 31 95.604 11.018 -7.612 1.00 0.00 C ATOM 413 C PRO A 31 96.894 11.835 -7.476 1.00 0.00 C ATOM 414 O PRO A 31 96.833 13.040 -7.314 1.00 0.00 O ATOM 415 CB PRO A 31 94.885 10.878 -6.268 1.00 0.00 C ATOM 416 CG PRO A 31 94.963 9.404 -5.869 1.00 0.00 C ATOM 417 CD PRO A 31 95.395 8.603 -7.105 1.00 0.00 C ATOM 0 HA PRO A 31 95.008 11.575 -8.335 1.00 0.00 H new ATOM 0 HB2 PRO A 31 95.355 11.507 -5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 31 93.847 11.200 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 31 95.676 9.266 -5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 31 93.996 9.055 -5.507 1.00 0.00 H new ATOM 0 HD2 PRO A 31 96.207 7.917 -6.865 1.00 0.00 H new ATOM 0 HD3 PRO A 31 94.572 8.000 -7.490 1.00 0.00 H new ATOM 425 N ARG A 32 98.018 11.165 -7.546 1.00 0.00 N ATOM 426 CA ARG A 32 99.335 11.867 -7.429 1.00 0.00 C ATOM 427 C ARG A 32 99.467 12.968 -8.491 1.00 0.00 C ATOM 428 O ARG A 32 100.226 13.897 -8.304 1.00 0.00 O ATOM 429 CB ARG A 32 100.468 10.828 -7.593 1.00 0.00 C ATOM 430 CG ARG A 32 100.527 9.887 -6.357 1.00 0.00 C ATOM 431 CD ARG A 32 101.068 10.620 -5.110 1.00 0.00 C ATOM 432 NE ARG A 32 102.463 11.083 -5.395 1.00 0.00 N ATOM 433 CZ ARG A 32 103.159 11.748 -4.506 1.00 0.00 C ATOM 434 NH1 ARG A 32 102.651 12.026 -3.334 1.00 0.00 N ATOM 435 NH2 ARG A 32 104.369 12.117 -4.826 1.00 0.00 N ATOM 0 H ARG A 32 98.080 10.156 -7.680 1.00 0.00 H new ATOM 0 HA ARG A 32 99.403 12.341 -6.450 1.00 0.00 H new ATOM 0 HB2 ARG A 32 100.303 10.241 -8.497 1.00 0.00 H new ATOM 0 HB3 ARG A 32 101.423 11.339 -7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 32 99.531 9.498 -6.147 1.00 0.00 H new ATOM 0 HG3 ARG A 32 101.163 9.031 -6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 32 100.430 11.469 -4.864 1.00 0.00 H new ATOM 0 HD3 ARG A 32 101.059 9.955 -4.247 1.00 0.00 H new ATOM 0 HE ARG A 32 102.881 10.876 -6.302 1.00 0.00 H new ATOM 0 HH11 ARG A 32 101.704 11.725 -3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 32 103.202 12.544 -2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 32 104.746 11.886 -5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 32 104.938 12.636 -4.157 1.00 0.00 H new ATOM 449 N ASN A 33 98.725 12.827 -9.566 1.00 0.00 N ATOM 450 CA ASN A 33 98.762 13.834 -10.666 1.00 0.00 C ATOM 451 C ASN A 33 98.225 15.177 -10.103 1.00 0.00 C ATOM 452 O ASN A 33 97.060 15.268 -9.766 1.00 0.00 O ATOM 453 CB ASN A 33 97.878 13.325 -11.857 1.00 0.00 C ATOM 454 CG ASN A 33 96.375 13.207 -11.526 1.00 0.00 C ATOM 455 OD1 ASN A 33 95.529 13.572 -12.317 1.00 0.00 O ATOM 456 ND2 ASN A 33 95.989 12.708 -10.383 1.00 0.00 N ATOM 0 H ASN A 33 98.089 12.046 -9.726 1.00 0.00 H new ATOM 0 HA ASN A 33 99.777 13.980 -11.036 1.00 0.00 H new ATOM 0 HB2 ASN A 33 98.000 14.004 -12.701 1.00 0.00 H new ATOM 0 HB3 ASN A 33 98.246 12.350 -12.176 1.00 0.00 H new ATOM 0 HD21 ASN A 33 94.994 12.631 -10.170 1.00 0.00 H new ATOM 0 HD22 ASN A 33 96.682 12.395 -9.703 1.00 0.00 H new ATOM 463 N PRO A 34 99.076 16.176 -10.001 1.00 0.00 N ATOM 464 CA PRO A 34 98.725 17.492 -9.381 1.00 0.00 C ATOM 465 C PRO A 34 97.973 18.413 -10.358 1.00 0.00 C ATOM 466 O PRO A 34 98.193 19.610 -10.384 1.00 0.00 O ATOM 467 CB PRO A 34 100.069 18.054 -8.933 1.00 0.00 C ATOM 468 CG PRO A 34 101.089 17.482 -9.937 1.00 0.00 C ATOM 469 CD PRO A 34 100.495 16.160 -10.470 1.00 0.00 C ATOM 0 HA PRO A 34 98.031 17.395 -8.546 1.00 0.00 H new ATOM 0 HB2 PRO A 34 100.067 19.144 -8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 34 100.305 17.750 -7.913 1.00 0.00 H new ATOM 0 HG2 PRO A 34 101.264 18.184 -10.752 1.00 0.00 H new ATOM 0 HG3 PRO A 34 102.051 17.307 -9.454 1.00 0.00 H new ATOM 0 HD2 PRO A 34 100.554 16.107 -11.557 1.00 0.00 H new ATOM 0 HD3 PRO A 34 101.033 15.296 -10.079 1.00 0.00 H new ATOM 477 N LYS A 35 97.102 17.815 -11.128 1.00 0.00 N ATOM 478 CA LYS A 35 96.293 18.576 -12.132 1.00 0.00 C ATOM 479 C LYS A 35 95.271 17.677 -12.841 1.00 0.00 C ATOM 480 O LYS A 35 95.440 16.474 -12.922 1.00 0.00 O ATOM 481 CB LYS A 35 97.238 19.203 -13.197 1.00 0.00 C ATOM 482 CG LYS A 35 98.111 18.100 -13.862 1.00 0.00 C ATOM 483 CD LYS A 35 99.096 18.712 -14.884 1.00 0.00 C ATOM 484 CE LYS A 35 100.143 19.597 -14.175 1.00 0.00 C ATOM 485 NZ LYS A 35 101.119 20.114 -15.173 1.00 0.00 N ATOM 0 H LYS A 35 96.912 16.813 -11.104 1.00 0.00 H new ATOM 0 HA LYS A 35 95.750 19.354 -11.596 1.00 0.00 H new ATOM 0 HB2 LYS A 35 96.650 19.718 -13.957 1.00 0.00 H new ATOM 0 HB3 LYS A 35 97.879 19.950 -12.729 1.00 0.00 H new ATOM 0 HG2 LYS A 35 98.666 17.560 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 35 97.468 17.375 -14.361 1.00 0.00 H new ATOM 0 HD2 LYS A 35 99.598 17.916 -15.433 1.00 0.00 H new ATOM 0 HD3 LYS A 35 98.547 19.306 -15.615 1.00 0.00 H new ATOM 0 HE2 LYS A 35 99.650 20.428 -13.670 1.00 0.00 H new ATOM 0 HE3 LYS A 35 100.662 19.021 -13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 101.823 20.710 -14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 101.598 19.315 -15.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 100.618 20.678 -15.889 1.00 0.00 H new ATOM 499 N ALA A 36 94.239 18.315 -13.331 1.00 0.00 N ATOM 500 CA ALA A 36 93.150 17.597 -14.060 1.00 0.00 C ATOM 501 C ALA A 36 93.625 17.417 -15.510 1.00 0.00 C ATOM 502 O ALA A 36 94.279 18.287 -16.051 1.00 0.00 O ATOM 503 CB ALA A 36 91.877 18.452 -13.983 1.00 0.00 C ATOM 0 H ALA A 36 94.103 19.323 -13.255 1.00 0.00 H new ATOM 0 HA ALA A 36 92.928 16.620 -13.629 1.00 0.00 H new ATOM 0 HB1 ALA A 36 91.067 17.947 -14.509 1.00 0.00 H new ATOM 0 HB2 ALA A 36 91.598 18.595 -12.939 1.00 0.00 H new ATOM 0 HB3 ALA A 36 92.061 19.422 -14.446 1.00 0.00 H new ATOM 509 N CYS A 37 93.284 16.295 -16.093 1.00 0.00 N ATOM 510 CA CYS A 37 93.691 15.999 -17.505 1.00 0.00 C ATOM 511 C CYS A 37 92.465 16.151 -18.433 1.00 0.00 C ATOM 512 O CYS A 37 91.678 17.058 -18.250 1.00 0.00 O ATOM 513 CB CYS A 37 94.242 14.566 -17.511 1.00 0.00 C ATOM 514 SG CYS A 37 95.018 13.980 -15.987 1.00 0.00 S ATOM 0 H CYS A 37 92.734 15.561 -15.646 1.00 0.00 H new ATOM 0 HA CYS A 37 94.453 16.687 -17.869 1.00 0.00 H new ATOM 0 HB2 CYS A 37 93.424 13.889 -17.757 1.00 0.00 H new ATOM 0 HB3 CYS A 37 94.973 14.487 -18.316 1.00 0.00 H new ATOM 519 N THR A 38 92.354 15.263 -19.395 1.00 0.00 N ATOM 520 CA THR A 38 91.228 15.246 -20.390 1.00 0.00 C ATOM 521 C THR A 38 90.726 16.652 -20.800 1.00 0.00 C ATOM 522 O THR A 38 91.513 17.567 -20.954 1.00 0.00 O ATOM 523 CB THR A 38 90.062 14.394 -19.772 1.00 0.00 C ATOM 524 OG1 THR A 38 89.657 15.082 -18.596 1.00 0.00 O ATOM 525 CG2 THR A 38 90.555 13.035 -19.255 1.00 0.00 C ATOM 0 H THR A 38 93.031 14.514 -19.537 1.00 0.00 H new ATOM 0 HA THR A 38 91.599 14.805 -21.315 1.00 0.00 H new ATOM 0 HB THR A 38 89.294 14.255 -20.533 1.00 0.00 H new ATOM 0 HG1 THR A 38 89.761 14.492 -17.820 1.00 0.00 H new ATOM 0 HG21 THR A 38 89.716 12.479 -18.836 1.00 0.00 H new ATOM 0 HG22 THR A 38 90.991 12.469 -20.078 1.00 0.00 H new ATOM 0 HG23 THR A 38 91.309 13.191 -18.483 1.00 0.00 H new ATOM 533 N LEU A 39 89.432 16.771 -20.963 1.00 0.00 N ATOM 534 CA LEU A 39 88.801 18.065 -21.355 1.00 0.00 C ATOM 535 C LEU A 39 88.637 19.005 -20.154 1.00 0.00 C ATOM 536 O LEU A 39 88.257 20.147 -20.326 1.00 0.00 O ATOM 537 CB LEU A 39 87.418 17.770 -21.987 1.00 0.00 C ATOM 538 CG LEU A 39 86.306 17.392 -20.944 1.00 0.00 C ATOM 539 CD1 LEU A 39 84.988 17.124 -21.698 1.00 0.00 C ATOM 540 CD2 LEU A 39 86.667 16.142 -20.108 1.00 0.00 C ATOM 0 H LEU A 39 88.772 16.004 -20.837 1.00 0.00 H new ATOM 0 HA LEU A 39 89.450 18.566 -22.073 1.00 0.00 H new ATOM 0 HB2 LEU A 39 87.092 18.646 -22.548 1.00 0.00 H new ATOM 0 HB3 LEU A 39 87.523 16.954 -22.702 1.00 0.00 H new ATOM 0 HG LEU A 39 86.208 18.229 -20.253 1.00 0.00 H new ATOM 0 HD11 LEU A 39 84.208 16.860 -20.984 1.00 0.00 H new ATOM 0 HD12 LEU A 39 84.693 18.020 -22.244 1.00 0.00 H new ATOM 0 HD13 LEU A 39 85.131 16.302 -22.399 1.00 0.00 H new ATOM 0 HD21 LEU A 39 85.862 15.929 -19.405 1.00 0.00 H new ATOM 0 HD22 LEU A 39 86.805 15.288 -20.771 1.00 0.00 H new ATOM 0 HD23 LEU A 39 87.590 16.326 -19.558 1.00 0.00 H new ATOM 552 N ASN A 40 88.930 18.482 -18.987 1.00 0.00 N ATOM 553 CA ASN A 40 88.830 19.236 -17.700 1.00 0.00 C ATOM 554 C ASN A 40 87.394 19.687 -17.378 1.00 0.00 C ATOM 555 O ASN A 40 86.548 19.798 -18.244 1.00 0.00 O ATOM 556 CB ASN A 40 89.760 20.460 -17.776 1.00 0.00 C ATOM 557 CG ASN A 40 91.189 19.989 -18.062 1.00 0.00 C ATOM 558 OD1 ASN A 40 91.624 19.935 -19.196 1.00 0.00 O ATOM 559 ND2 ASN A 40 91.951 19.637 -17.066 1.00 0.00 N ATOM 0 H ASN A 40 89.248 17.520 -18.873 1.00 0.00 H new ATOM 0 HA ASN A 40 89.131 18.565 -16.895 1.00 0.00 H new ATOM 0 HB2 ASN A 40 89.424 21.139 -18.560 1.00 0.00 H new ATOM 0 HB3 ASN A 40 89.728 21.015 -16.838 1.00 0.00 H new ATOM 0 HD21 ASN A 40 92.904 19.319 -17.241 1.00 0.00 H new ATOM 0 HD22 ASN A 40 91.594 19.679 -16.111 1.00 0.00 H new ATOM 566 N CYS A 41 87.195 19.927 -16.109 1.00 0.00 N ATOM 567 CA CYS A 41 85.894 20.374 -15.524 1.00 0.00 C ATOM 568 C CYS A 41 84.672 19.491 -15.824 1.00 0.00 C ATOM 569 O CYS A 41 84.255 19.331 -16.955 1.00 0.00 O ATOM 570 CB CYS A 41 85.593 21.826 -15.993 1.00 0.00 C ATOM 571 SG CYS A 41 86.776 23.128 -15.558 1.00 0.00 S ATOM 0 H CYS A 41 87.931 19.824 -15.411 1.00 0.00 H new ATOM 0 HA CYS A 41 86.037 20.301 -14.446 1.00 0.00 H new ATOM 0 HB2 CYS A 41 85.497 21.812 -17.079 1.00 0.00 H new ATOM 0 HB3 CYS A 41 84.621 22.111 -15.591 1.00 0.00 H new ATOM 576 N ASP A 42 84.143 18.943 -14.757 1.00 0.00 N ATOM 577 CA ASP A 42 82.950 18.051 -14.830 1.00 0.00 C ATOM 578 C ASP A 42 82.118 18.217 -13.537 1.00 0.00 C ATOM 579 O ASP A 42 82.350 17.524 -12.564 1.00 0.00 O ATOM 580 CB ASP A 42 83.424 16.584 -14.981 1.00 0.00 C ATOM 581 CG ASP A 42 82.190 15.677 -15.115 1.00 0.00 C ATOM 582 OD1 ASP A 42 81.604 15.694 -16.184 1.00 0.00 O ATOM 583 OD2 ASP A 42 81.904 15.018 -14.132 1.00 0.00 O ATOM 0 H ASP A 42 84.502 19.083 -13.813 1.00 0.00 H new ATOM 0 HA ASP A 42 82.331 18.314 -15.688 1.00 0.00 H new ATOM 0 HB2 ASP A 42 84.064 16.482 -15.857 1.00 0.00 H new ATOM 0 HB3 ASP A 42 84.018 16.288 -14.116 1.00 0.00 H new ATOM 588 N PRO A 43 81.171 19.131 -13.554 1.00 0.00 N ATOM 589 CA PRO A 43 80.229 19.333 -12.415 1.00 0.00 C ATOM 590 C PRO A 43 79.373 18.086 -12.151 1.00 0.00 C ATOM 591 O PRO A 43 78.797 17.954 -11.088 1.00 0.00 O ATOM 592 CB PRO A 43 79.371 20.546 -12.787 1.00 0.00 C ATOM 593 CG PRO A 43 79.851 21.052 -14.157 1.00 0.00 C ATOM 594 CD PRO A 43 80.910 20.073 -14.686 1.00 0.00 C ATOM 0 HA PRO A 43 80.771 19.506 -11.485 1.00 0.00 H new ATOM 0 HB2 PRO A 43 78.317 20.271 -12.828 1.00 0.00 H new ATOM 0 HB3 PRO A 43 79.467 21.329 -12.034 1.00 0.00 H new ATOM 0 HG2 PRO A 43 79.014 21.119 -14.852 1.00 0.00 H new ATOM 0 HG3 PRO A 43 80.271 22.054 -14.066 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.550 19.541 -15.566 1.00 0.00 H new ATOM 0 HD3 PRO A 43 81.819 20.597 -14.980 1.00 0.00 H new ATOM 602 N ARG A 44 79.319 17.210 -13.124 1.00 0.00 N ATOM 603 CA ARG A 44 78.515 15.957 -12.980 1.00 0.00 C ATOM 604 C ARG A 44 79.097 15.086 -11.857 1.00 0.00 C ATOM 605 O ARG A 44 78.364 14.408 -11.164 1.00 0.00 O ATOM 606 CB ARG A 44 78.535 15.167 -14.314 1.00 0.00 C ATOM 607 CG ARG A 44 78.187 16.076 -15.521 1.00 0.00 C ATOM 608 CD ARG A 44 76.789 16.703 -15.360 1.00 0.00 C ATOM 609 NE ARG A 44 76.523 17.545 -16.568 1.00 0.00 N ATOM 610 CZ ARG A 44 75.469 18.320 -16.645 1.00 0.00 C ATOM 611 NH1 ARG A 44 74.613 18.379 -15.659 1.00 0.00 N ATOM 612 NH2 ARG A 44 75.305 19.024 -17.730 1.00 0.00 N ATOM 0 H ARG A 44 79.801 17.310 -14.018 1.00 0.00 H new ATOM 0 HA ARG A 44 77.487 16.221 -12.731 1.00 0.00 H new ATOM 0 HB2 ARG A 44 79.521 14.727 -14.462 1.00 0.00 H new ATOM 0 HB3 ARG A 44 77.823 14.344 -14.261 1.00 0.00 H new ATOM 0 HG2 ARG A 44 78.934 16.865 -15.613 1.00 0.00 H new ATOM 0 HG3 ARG A 44 78.223 15.493 -16.441 1.00 0.00 H new ATOM 0 HD2 ARG A 44 76.031 15.926 -15.262 1.00 0.00 H new ATOM 0 HD3 ARG A 44 76.744 17.309 -14.455 1.00 0.00 H new ATOM 0 HE ARG A 44 77.177 17.515 -17.350 1.00 0.00 H new ATOM 0 HH11 ARG A 44 74.762 17.819 -14.820 1.00 0.00 H new ATOM 0 HH12 ARG A 44 73.796 18.985 -15.729 1.00 0.00 H new ATOM 0 HH21 ARG A 44 75.986 18.961 -18.486 1.00 0.00 H new ATOM 0 HH22 ARG A 44 74.495 19.637 -17.822 1.00 0.00 H new ATOM 626 N ILE A 45 80.397 15.135 -11.709 1.00 0.00 N ATOM 627 CA ILE A 45 81.071 14.329 -10.648 1.00 0.00 C ATOM 628 C ILE A 45 80.732 14.849 -9.254 1.00 0.00 C ATOM 629 O ILE A 45 80.711 16.037 -8.998 1.00 0.00 O ATOM 630 CB ILE A 45 82.615 14.367 -10.920 1.00 0.00 C ATOM 631 CG1 ILE A 45 82.934 13.181 -11.855 1.00 0.00 C ATOM 632 CG2 ILE A 45 83.457 14.227 -9.614 1.00 0.00 C ATOM 633 CD1 ILE A 45 84.323 13.356 -12.508 1.00 0.00 C ATOM 0 H ILE A 45 81.023 15.702 -12.281 1.00 0.00 H new ATOM 0 HA ILE A 45 80.717 13.299 -10.682 1.00 0.00 H new ATOM 0 HB ILE A 45 82.875 15.329 -11.361 1.00 0.00 H new ATOM 0 HG12 ILE A 45 82.907 12.249 -11.290 1.00 0.00 H new ATOM 0 HG13 ILE A 45 82.170 13.106 -12.629 1.00 0.00 H new ATOM 0 HG21 ILE A 45 84.518 14.260 -9.860 1.00 0.00 H new ATOM 0 HG22 ILE A 45 83.216 15.046 -8.936 1.00 0.00 H new ATOM 0 HG23 ILE A 45 83.225 13.277 -9.132 1.00 0.00 H new ATOM 0 HD11 ILE A 45 84.527 12.509 -13.163 1.00 0.00 H new ATOM 0 HD12 ILE A 45 84.337 14.277 -13.091 1.00 0.00 H new ATOM 0 HD13 ILE A 45 85.086 13.406 -11.732 1.00 0.00 H new ATOM 645 N ALA A 46 80.479 13.883 -8.412 1.00 0.00 N ATOM 646 CA ALA A 46 80.126 14.143 -6.984 1.00 0.00 C ATOM 647 C ALA A 46 81.042 13.322 -6.078 1.00 0.00 C ATOM 648 O ALA A 46 81.681 13.849 -5.188 1.00 0.00 O ATOM 649 CB ALA A 46 78.677 13.739 -6.749 1.00 0.00 C ATOM 0 H ALA A 46 80.503 12.894 -8.662 1.00 0.00 H new ATOM 0 HA ALA A 46 80.252 15.202 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 46 78.411 13.926 -5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 46 78.026 14.323 -7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 46 78.554 12.679 -6.970 1.00 0.00 H new ATOM 655 N TYR A 47 81.062 12.042 -6.349 1.00 0.00 N ATOM 656 CA TYR A 47 81.901 11.085 -5.566 1.00 0.00 C ATOM 657 C TYR A 47 82.578 10.114 -6.544 1.00 0.00 C ATOM 658 O TYR A 47 82.601 10.336 -7.739 1.00 0.00 O ATOM 659 CB TYR A 47 80.996 10.304 -4.584 1.00 0.00 C ATOM 660 CG TYR A 47 80.069 11.277 -3.836 1.00 0.00 C ATOM 661 CD1 TYR A 47 80.546 12.054 -2.796 1.00 0.00 C ATOM 662 CD2 TYR A 47 78.740 11.389 -4.199 1.00 0.00 C ATOM 663 CE1 TYR A 47 79.706 12.926 -2.135 1.00 0.00 C ATOM 664 CE2 TYR A 47 77.902 12.262 -3.538 1.00 0.00 C ATOM 665 CZ TYR A 47 78.380 13.036 -2.501 1.00 0.00 C ATOM 666 OH TYR A 47 77.542 13.909 -1.839 1.00 0.00 O ATOM 0 H TYR A 47 80.519 11.611 -7.097 1.00 0.00 H new ATOM 0 HA TYR A 47 82.662 11.621 -4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 47 80.403 9.570 -5.129 1.00 0.00 H new ATOM 0 HB3 TYR A 47 81.609 9.753 -3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 47 81.582 11.978 -2.500 1.00 0.00 H new ATOM 0 HD2 TYR A 47 78.354 10.787 -5.008 1.00 0.00 H new ATOM 0 HE1 TYR A 47 80.089 13.528 -1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 47 76.866 12.340 -3.834 1.00 0.00 H new ATOM 0 HH TYR A 47 76.644 13.858 -2.228 1.00 0.00 H new ATOM 676 N GLY A 48 83.113 9.060 -5.983 1.00 0.00 N ATOM 677 CA GLY A 48 83.810 8.012 -6.778 1.00 0.00 C ATOM 678 C GLY A 48 83.869 6.749 -5.922 1.00 0.00 C ATOM 679 O GLY A 48 84.659 6.680 -5.000 1.00 0.00 O ATOM 0 H GLY A 48 83.093 8.880 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 48 83.277 7.819 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 48 84.814 8.340 -7.047 1.00 0.00 H new ATOM 683 N VAL A 49 83.041 5.786 -6.243 1.00 0.00 N ATOM 684 CA VAL A 49 83.033 4.517 -5.452 1.00 0.00 C ATOM 685 C VAL A 49 84.203 3.649 -5.925 1.00 0.00 C ATOM 686 O VAL A 49 84.308 3.340 -7.094 1.00 0.00 O ATOM 687 CB VAL A 49 81.646 3.814 -5.663 1.00 0.00 C ATOM 688 CG1 VAL A 49 81.345 3.510 -7.154 1.00 0.00 C ATOM 689 CG2 VAL A 49 81.606 2.497 -4.855 1.00 0.00 C ATOM 0 H VAL A 49 82.374 5.823 -7.014 1.00 0.00 H new ATOM 0 HA VAL A 49 83.159 4.699 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 49 80.880 4.506 -5.312 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.373 3.024 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.335 4.441 -7.720 1.00 0.00 H new ATOM 0 HG13 VAL A 49 82.116 2.851 -7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 49 80.642 2.009 -5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 49 82.403 1.836 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 49 81.744 2.715 -3.796 1.00 0.00 H new ATOM 699 N CYS A 50 85.052 3.288 -4.998 1.00 0.00 N ATOM 700 CA CYS A 50 86.240 2.442 -5.333 1.00 0.00 C ATOM 701 C CYS A 50 86.005 0.974 -4.920 1.00 0.00 C ATOM 702 O CYS A 50 85.308 0.730 -3.953 1.00 0.00 O ATOM 703 CB CYS A 50 87.454 3.017 -4.598 1.00 0.00 C ATOM 704 SG CYS A 50 87.813 4.771 -4.866 1.00 0.00 S ATOM 0 H CYS A 50 84.974 3.545 -4.014 1.00 0.00 H new ATOM 0 HA CYS A 50 86.410 2.454 -6.410 1.00 0.00 H new ATOM 0 HB2 CYS A 50 87.311 2.859 -3.529 1.00 0.00 H new ATOM 0 HB3 CYS A 50 88.332 2.442 -4.890 1.00 0.00 H new ATOM 709 N PRO A 51 86.579 0.038 -5.646 1.00 0.00 N ATOM 710 CA PRO A 51 86.550 -1.405 -5.268 1.00 0.00 C ATOM 711 C PRO A 51 87.490 -1.616 -4.069 1.00 0.00 C ATOM 712 O PRO A 51 88.697 -1.579 -4.216 1.00 0.00 O ATOM 713 CB PRO A 51 86.994 -2.166 -6.517 1.00 0.00 C ATOM 714 CG PRO A 51 87.680 -1.140 -7.436 1.00 0.00 C ATOM 715 CD PRO A 51 87.322 0.266 -6.923 1.00 0.00 C ATOM 0 HA PRO A 51 85.567 -1.759 -4.957 1.00 0.00 H new ATOM 0 HB2 PRO A 51 87.680 -2.972 -6.256 1.00 0.00 H new ATOM 0 HB3 PRO A 51 86.140 -2.623 -7.016 1.00 0.00 H new ATOM 0 HG2 PRO A 51 88.760 -1.285 -7.431 1.00 0.00 H new ATOM 0 HG3 PRO A 51 87.347 -1.267 -8.466 1.00 0.00 H new ATOM 0 HD2 PRO A 51 88.218 0.865 -6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 51 86.708 0.805 -7.645 1.00 0.00 H new ATOM 723 N ARG A 52 86.899 -1.827 -2.921 1.00 0.00 N ATOM 724 CA ARG A 52 87.698 -2.046 -1.675 1.00 0.00 C ATOM 725 C ARG A 52 88.215 -3.493 -1.618 1.00 0.00 C ATOM 726 O ARG A 52 89.217 -3.762 -0.981 1.00 0.00 O ATOM 727 CB ARG A 52 86.790 -1.736 -0.465 1.00 0.00 C ATOM 728 CG ARG A 52 87.594 -1.846 0.857 1.00 0.00 C ATOM 729 CD ARG A 52 86.722 -1.431 2.060 1.00 0.00 C ATOM 730 NE ARG A 52 85.554 -2.363 2.174 1.00 0.00 N ATOM 731 CZ ARG A 52 84.367 -2.072 1.695 1.00 0.00 C ATOM 732 NH1 ARG A 52 84.144 -0.938 1.083 1.00 0.00 N ATOM 733 NH2 ARG A 52 83.417 -2.952 1.849 1.00 0.00 N ATOM 0 H ARG A 52 85.888 -1.857 -2.791 1.00 0.00 H new ATOM 0 HA ARG A 52 88.567 -1.389 -1.662 1.00 0.00 H new ATOM 0 HB2 ARG A 52 86.373 -0.733 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 52 85.950 -2.430 -0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 52 87.945 -2.869 0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 52 88.478 -1.210 0.805 1.00 0.00 H new ATOM 0 HD2 ARG A 52 87.312 -1.456 2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 52 86.373 -0.406 1.934 1.00 0.00 H new ATOM 0 HE ARG A 52 85.687 -3.259 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 52 84.899 -0.262 0.971 1.00 0.00 H new ATOM 0 HH12 ARG A 52 83.215 -0.730 0.717 1.00 0.00 H new ATOM 0 HH21 ARG A 52 83.609 -3.831 2.329 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.482 -2.761 1.490 1.00 0.00 H new ATOM 747 N SER A 53 87.516 -4.379 -2.285 1.00 0.00 N ATOM 748 CA SER A 53 87.917 -5.819 -2.307 1.00 0.00 C ATOM 749 C SER A 53 87.566 -6.448 -3.663 1.00 0.00 C ATOM 750 O SER A 53 86.503 -6.210 -4.203 1.00 0.00 O ATOM 751 CB SER A 53 87.179 -6.553 -1.170 1.00 0.00 C ATOM 752 OG SER A 53 87.659 -7.889 -1.235 1.00 0.00 O ATOM 0 H SER A 53 86.676 -4.162 -2.821 1.00 0.00 H new ATOM 0 HA SER A 53 88.994 -5.904 -2.163 1.00 0.00 H new ATOM 0 HB2 SER A 53 87.394 -6.101 -0.202 1.00 0.00 H new ATOM 0 HB3 SER A 53 86.099 -6.513 -1.308 1.00 0.00 H new ATOM 0 HG SER A 53 87.232 -8.424 -0.534 1.00 0.00 H new ATOM 758 N GLU A 54 88.499 -7.233 -4.148 1.00 0.00 N ATOM 759 CA GLU A 54 88.387 -7.961 -5.456 1.00 0.00 C ATOM 760 C GLU A 54 88.285 -7.018 -6.670 1.00 0.00 C ATOM 761 O GLU A 54 87.612 -6.005 -6.639 1.00 0.00 O ATOM 762 CB GLU A 54 87.143 -8.893 -5.422 1.00 0.00 C ATOM 763 CG GLU A 54 87.168 -9.829 -6.653 1.00 0.00 C ATOM 764 CD GLU A 54 85.920 -10.726 -6.644 1.00 0.00 C ATOM 765 OE1 GLU A 54 85.996 -11.759 -5.998 1.00 0.00 O ATOM 766 OE2 GLU A 54 84.961 -10.326 -7.285 1.00 0.00 O ATOM 0 H GLU A 54 89.380 -7.407 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 54 89.304 -8.537 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 54 87.141 -9.481 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 54 86.229 -8.298 -5.422 1.00 0.00 H new ATOM 0 HG2 GLU A 54 87.198 -9.240 -7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 54 88.069 -10.442 -6.638 1.00 0.00 H new ATOM 773 N GLU A 55 88.978 -7.407 -7.710 1.00 0.00 N ATOM 774 CA GLU A 55 89.000 -6.620 -8.985 1.00 0.00 C ATOM 775 C GLU A 55 87.814 -7.030 -9.878 1.00 0.00 C ATOM 776 O GLU A 55 86.900 -7.700 -9.436 1.00 0.00 O ATOM 777 CB GLU A 55 90.359 -6.889 -9.712 1.00 0.00 C ATOM 778 CG GLU A 55 90.442 -8.307 -10.363 1.00 0.00 C ATOM 779 CD GLU A 55 90.185 -9.421 -9.335 1.00 0.00 C ATOM 780 OE1 GLU A 55 91.109 -9.701 -8.591 1.00 0.00 O ATOM 781 OE2 GLU A 55 89.073 -9.927 -9.349 1.00 0.00 O ATOM 0 H GLU A 55 89.543 -8.256 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 55 88.907 -5.555 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 55 90.506 -6.133 -10.484 1.00 0.00 H new ATOM 0 HB3 GLU A 55 91.174 -6.777 -8.997 1.00 0.00 H new ATOM 0 HG2 GLU A 55 89.712 -8.380 -11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 55 91.426 -8.445 -10.811 1.00 0.00 H new ATOM 788 N LYS A 56 87.878 -6.603 -11.112 1.00 0.00 N ATOM 789 CA LYS A 56 86.815 -6.912 -12.119 1.00 0.00 C ATOM 790 C LYS A 56 87.442 -7.329 -13.460 1.00 0.00 C ATOM 791 O LYS A 56 86.745 -7.576 -14.426 1.00 0.00 O ATOM 792 CB LYS A 56 85.913 -5.650 -12.289 1.00 0.00 C ATOM 793 CG LYS A 56 86.703 -4.320 -12.486 1.00 0.00 C ATOM 794 CD LYS A 56 87.597 -4.346 -13.748 1.00 0.00 C ATOM 795 CE LYS A 56 88.138 -2.940 -14.038 1.00 0.00 C ATOM 796 NZ LYS A 56 87.013 -2.025 -14.378 1.00 0.00 N ATOM 0 H LYS A 56 88.645 -6.037 -11.475 1.00 0.00 H new ATOM 0 HA LYS A 56 86.208 -7.748 -11.773 1.00 0.00 H new ATOM 0 HB2 LYS A 56 85.256 -5.800 -13.146 1.00 0.00 H new ATOM 0 HB3 LYS A 56 85.274 -5.553 -11.411 1.00 0.00 H new ATOM 0 HG2 LYS A 56 86.000 -3.490 -12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 56 87.323 -4.136 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 56 88.425 -5.040 -13.603 1.00 0.00 H new ATOM 0 HD3 LYS A 56 87.024 -4.707 -14.602 1.00 0.00 H new ATOM 0 HE2 LYS A 56 88.676 -2.562 -13.169 1.00 0.00 H new ATOM 0 HE3 LYS A 56 88.850 -2.978 -14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 87.376 -1.215 -14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 86.310 -2.536 -14.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 86.566 -1.684 -13.503 1.00 0.00 H new ATOM 810 N LYS A 57 88.751 -7.390 -13.464 1.00 0.00 N ATOM 811 CA LYS A 57 89.525 -7.777 -14.681 1.00 0.00 C ATOM 812 C LYS A 57 90.839 -8.420 -14.222 1.00 0.00 C ATOM 813 O LYS A 57 91.500 -7.918 -13.332 1.00 0.00 O ATOM 814 CB LYS A 57 89.796 -6.507 -15.516 1.00 0.00 C ATOM 815 CG LYS A 57 90.582 -6.866 -16.803 1.00 0.00 C ATOM 816 CD LYS A 57 90.960 -5.587 -17.592 1.00 0.00 C ATOM 817 CE LYS A 57 89.705 -4.846 -18.088 1.00 0.00 C ATOM 818 NZ LYS A 57 90.109 -3.643 -18.869 1.00 0.00 N ATOM 0 H LYS A 57 89.329 -7.181 -12.650 1.00 0.00 H new ATOM 0 HA LYS A 57 88.973 -8.488 -15.296 1.00 0.00 H new ATOM 0 HB2 LYS A 57 88.853 -6.029 -15.780 1.00 0.00 H new ATOM 0 HB3 LYS A 57 90.363 -5.789 -14.924 1.00 0.00 H new ATOM 0 HG2 LYS A 57 91.485 -7.417 -16.541 1.00 0.00 H new ATOM 0 HG3 LYS A 57 89.979 -7.522 -17.432 1.00 0.00 H new ATOM 0 HD2 LYS A 57 91.548 -4.925 -16.956 1.00 0.00 H new ATOM 0 HD3 LYS A 57 91.588 -5.854 -18.442 1.00 0.00 H new ATOM 0 HE2 LYS A 57 89.101 -5.508 -18.708 1.00 0.00 H new ATOM 0 HE3 LYS A 57 89.086 -4.551 -17.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 89.260 -3.144 -19.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 90.668 -3.008 -18.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 90.682 -3.936 -19.686 1.00 0.00 H new ATOM 832 N ASN A 58 91.171 -9.518 -14.851 1.00 0.00 N ATOM 833 CA ASN A 58 92.425 -10.261 -14.515 1.00 0.00 C ATOM 834 C ASN A 58 93.633 -9.715 -15.295 1.00 0.00 C ATOM 835 O ASN A 58 94.343 -10.444 -15.962 1.00 0.00 O ATOM 836 CB ASN A 58 92.173 -11.751 -14.832 1.00 0.00 C ATOM 837 CG ASN A 58 91.122 -12.286 -13.855 1.00 0.00 C ATOM 838 OD1 ASN A 58 89.943 -12.331 -14.150 1.00 0.00 O ATOM 839 ND2 ASN A 58 91.509 -12.700 -12.681 1.00 0.00 N ATOM 0 H ASN A 58 90.617 -9.939 -15.597 1.00 0.00 H new ATOM 0 HA ASN A 58 92.668 -10.133 -13.460 1.00 0.00 H new ATOM 0 HB2 ASN A 58 91.828 -11.866 -15.860 1.00 0.00 H new ATOM 0 HB3 ASN A 58 93.099 -12.319 -14.741 1.00 0.00 H new ATOM 0 HD21 ASN A 58 90.824 -13.059 -12.016 1.00 0.00 H new ATOM 0 HD22 ASN A 58 92.496 -12.665 -12.428 1.00 0.00 H new ATOM 846 N ASP A 59 93.824 -8.426 -15.172 1.00 0.00 N ATOM 847 CA ASP A 59 94.954 -7.728 -15.861 1.00 0.00 C ATOM 848 C ASP A 59 96.066 -7.421 -14.845 1.00 0.00 C ATOM 849 O ASP A 59 96.670 -6.364 -14.873 1.00 0.00 O ATOM 850 CB ASP A 59 94.406 -6.424 -16.503 1.00 0.00 C ATOM 851 CG ASP A 59 93.908 -5.436 -15.427 1.00 0.00 C ATOM 852 OD1 ASP A 59 92.915 -5.758 -14.794 1.00 0.00 O ATOM 853 OD2 ASP A 59 94.555 -4.407 -15.299 1.00 0.00 O ATOM 0 H ASP A 59 93.231 -7.814 -14.611 1.00 0.00 H new ATOM 0 HA ASP A 59 95.378 -8.359 -16.642 1.00 0.00 H new ATOM 0 HB2 ASP A 59 95.188 -5.953 -17.099 1.00 0.00 H new ATOM 0 HB3 ASP A 59 93.590 -6.666 -17.183 1.00 0.00 H new ATOM 858 N ARG A 60 96.301 -8.374 -13.974 1.00 0.00 N ATOM 859 CA ARG A 60 97.356 -8.226 -12.920 1.00 0.00 C ATOM 860 C ARG A 60 98.690 -7.846 -13.575 1.00 0.00 C ATOM 861 O ARG A 60 99.462 -7.089 -13.018 1.00 0.00 O ATOM 862 CB ARG A 60 97.510 -9.561 -12.148 1.00 0.00 C ATOM 863 CG ARG A 60 96.318 -9.818 -11.174 1.00 0.00 C ATOM 864 CD ARG A 60 94.962 -9.948 -11.904 1.00 0.00 C ATOM 865 NE ARG A 60 95.085 -11.010 -12.953 1.00 0.00 N ATOM 866 CZ ARG A 60 94.960 -12.284 -12.673 1.00 0.00 C ATOM 867 NH1 ARG A 60 94.719 -12.682 -11.452 1.00 0.00 N ATOM 868 NH2 ARG A 60 95.088 -13.137 -13.650 1.00 0.00 N ATOM 0 H ARG A 60 95.799 -9.261 -13.949 1.00 0.00 H new ATOM 0 HA ARG A 60 97.064 -7.441 -12.223 1.00 0.00 H new ATOM 0 HB2 ARG A 60 97.580 -10.384 -12.859 1.00 0.00 H new ATOM 0 HB3 ARG A 60 98.442 -9.547 -11.583 1.00 0.00 H new ATOM 0 HG2 ARG A 60 96.509 -10.729 -10.607 1.00 0.00 H new ATOM 0 HG3 ARG A 60 96.261 -9.001 -10.454 1.00 0.00 H new ATOM 0 HD2 ARG A 60 94.174 -10.205 -11.196 1.00 0.00 H new ATOM 0 HD3 ARG A 60 94.684 -8.997 -12.359 1.00 0.00 H new ATOM 0 HE ARG A 60 95.272 -10.733 -13.917 1.00 0.00 H new ATOM 0 HH11 ARG A 60 94.626 -11.998 -10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 60 94.624 -13.677 -11.249 1.00 0.00 H new ATOM 0 HH21 ARG A 60 95.279 -12.805 -14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 60 94.997 -14.137 -13.469 1.00 0.00 H new ATOM 882 N ILE A 61 98.904 -8.395 -14.745 1.00 0.00 N ATOM 883 CA ILE A 61 100.142 -8.127 -15.520 1.00 0.00 C ATOM 884 C ILE A 61 99.979 -6.740 -16.174 1.00 0.00 C ATOM 885 O ILE A 61 99.638 -6.609 -17.336 1.00 0.00 O ATOM 886 CB ILE A 61 100.308 -9.293 -16.570 1.00 0.00 C ATOM 887 CG1 ILE A 61 101.534 -9.052 -17.489 1.00 0.00 C ATOM 888 CG2 ILE A 61 99.041 -9.516 -17.440 1.00 0.00 C ATOM 889 CD1 ILE A 61 102.815 -9.080 -16.647 1.00 0.00 C ATOM 0 H ILE A 61 98.252 -9.033 -15.201 1.00 0.00 H new ATOM 0 HA ILE A 61 101.043 -8.105 -14.907 1.00 0.00 H new ATOM 0 HB ILE A 61 100.465 -10.198 -15.983 1.00 0.00 H new ATOM 0 HG12 ILE A 61 101.578 -9.818 -18.263 1.00 0.00 H new ATOM 0 HG13 ILE A 61 101.439 -8.091 -17.995 1.00 0.00 H new ATOM 0 HG21 ILE A 61 99.220 -10.331 -18.141 1.00 0.00 H new ATOM 0 HG22 ILE A 61 98.198 -9.769 -16.797 1.00 0.00 H new ATOM 0 HG23 ILE A 61 98.814 -8.604 -17.993 1.00 0.00 H new ATOM 0 HD11 ILE A 61 103.678 -8.911 -17.291 1.00 0.00 H new ATOM 0 HD12 ILE A 61 102.769 -8.298 -15.889 1.00 0.00 H new ATOM 0 HD13 ILE A 61 102.910 -10.051 -16.161 1.00 0.00 H new ATOM 901 N CYS A 62 100.231 -5.728 -15.380 1.00 0.00 N ATOM 902 CA CYS A 62 100.114 -4.325 -15.876 1.00 0.00 C ATOM 903 C CYS A 62 101.397 -3.835 -16.558 1.00 0.00 C ATOM 904 O CYS A 62 101.879 -2.737 -16.350 1.00 0.00 O ATOM 905 CB CYS A 62 99.733 -3.433 -14.678 1.00 0.00 C ATOM 906 SG CYS A 62 97.948 -3.273 -14.448 1.00 0.00 S ATOM 0 H CYS A 62 100.514 -5.816 -14.404 1.00 0.00 H new ATOM 0 HA CYS A 62 99.342 -4.277 -16.644 1.00 0.00 H new ATOM 0 HB2 CYS A 62 100.174 -3.846 -13.771 1.00 0.00 H new ATOM 0 HB3 CYS A 62 100.165 -2.442 -14.819 1.00 0.00 H new ATOM 911 N THR A 63 101.898 -4.717 -17.377 1.00 0.00 N ATOM 912 CA THR A 63 103.132 -4.490 -18.160 1.00 0.00 C ATOM 913 C THR A 63 102.760 -3.865 -19.515 1.00 0.00 C ATOM 914 O THR A 63 101.605 -3.834 -19.891 1.00 0.00 O ATOM 915 CB THR A 63 103.788 -5.869 -18.281 1.00 0.00 C ATOM 916 OG1 THR A 63 104.131 -6.214 -16.946 1.00 0.00 O ATOM 917 CG2 THR A 63 105.108 -5.836 -19.020 1.00 0.00 C ATOM 0 H THR A 63 101.474 -5.631 -17.538 1.00 0.00 H new ATOM 0 HA THR A 63 103.830 -3.793 -17.696 1.00 0.00 H new ATOM 0 HB THR A 63 103.109 -6.541 -18.806 1.00 0.00 H new ATOM 0 HG1 THR A 63 104.698 -7.014 -16.950 1.00 0.00 H new ATOM 0 HG21 THR A 63 105.521 -6.843 -19.072 1.00 0.00 H new ATOM 0 HG22 THR A 63 104.950 -5.456 -20.029 1.00 0.00 H new ATOM 0 HG23 THR A 63 105.804 -5.185 -18.492 1.00 0.00 H new ATOM 925 N ASN A 64 103.769 -3.387 -20.194 1.00 0.00 N ATOM 926 CA ASN A 64 103.593 -2.747 -21.534 1.00 0.00 C ATOM 927 C ASN A 64 104.891 -2.941 -22.341 1.00 0.00 C ATOM 928 O ASN A 64 105.799 -3.608 -21.879 1.00 0.00 O ATOM 929 CB ASN A 64 103.282 -1.240 -21.325 1.00 0.00 C ATOM 930 CG ASN A 64 104.389 -0.518 -20.534 1.00 0.00 C ATOM 931 OD1 ASN A 64 105.532 -0.930 -20.499 1.00 0.00 O ATOM 932 ND2 ASN A 64 104.088 0.572 -19.879 1.00 0.00 N ATOM 0 H ASN A 64 104.735 -3.414 -19.867 1.00 0.00 H new ATOM 0 HA ASN A 64 102.768 -3.199 -22.084 1.00 0.00 H new ATOM 0 HB2 ASN A 64 103.159 -0.759 -22.295 1.00 0.00 H new ATOM 0 HB3 ASN A 64 102.335 -1.137 -20.796 1.00 0.00 H new ATOM 0 HD21 ASN A 64 104.808 1.064 -19.349 1.00 0.00 H new ATOM 0 HD22 ASN A 64 103.134 0.931 -19.898 1.00 0.00 H new ATOM 939 N CYS A 65 104.951 -2.361 -23.514 1.00 0.00 N ATOM 940 CA CYS A 65 106.178 -2.500 -24.360 1.00 0.00 C ATOM 941 C CYS A 65 107.159 -1.334 -24.161 1.00 0.00 C ATOM 942 O CYS A 65 108.354 -1.505 -24.312 1.00 0.00 O ATOM 943 CB CYS A 65 105.780 -2.556 -25.838 1.00 0.00 C ATOM 944 SG CYS A 65 107.159 -2.957 -26.938 1.00 0.00 S ATOM 0 H CYS A 65 104.205 -1.798 -23.922 1.00 0.00 H new ATOM 0 HA CYS A 65 106.676 -3.420 -24.055 1.00 0.00 H new ATOM 0 HB2 CYS A 65 104.994 -3.300 -25.967 1.00 0.00 H new ATOM 0 HB3 CYS A 65 105.360 -1.594 -26.130 1.00 0.00 H new ATOM 949 N CYS A 66 106.615 -0.190 -23.823 1.00 0.00 N ATOM 950 CA CYS A 66 107.432 1.042 -23.598 1.00 0.00 C ATOM 951 C CYS A 66 108.446 0.833 -22.481 1.00 0.00 C ATOM 952 O CYS A 66 109.640 0.977 -22.664 1.00 0.00 O ATOM 953 CB CYS A 66 106.493 2.184 -23.232 1.00 0.00 C ATOM 954 SG CYS A 66 107.231 3.766 -22.760 1.00 0.00 S ATOM 0 H CYS A 66 105.612 -0.057 -23.691 1.00 0.00 H new ATOM 0 HA CYS A 66 107.982 1.276 -24.509 1.00 0.00 H new ATOM 0 HB2 CYS A 66 105.835 2.362 -24.083 1.00 0.00 H new ATOM 0 HB3 CYS A 66 105.864 1.849 -22.407 1.00 0.00 H new ATOM 959 N ALA A 67 107.893 0.492 -21.349 1.00 0.00 N ATOM 960 CA ALA A 67 108.721 0.239 -20.131 1.00 0.00 C ATOM 961 C ALA A 67 109.153 -1.238 -20.111 1.00 0.00 C ATOM 962 O ALA A 67 109.146 -1.886 -19.081 1.00 0.00 O ATOM 963 CB ALA A 67 107.875 0.591 -18.889 1.00 0.00 C ATOM 0 H ALA A 67 106.889 0.376 -21.213 1.00 0.00 H new ATOM 0 HA ALA A 67 109.620 0.855 -20.134 1.00 0.00 H new ATOM 0 HB1 ALA A 67 108.461 0.413 -17.987 1.00 0.00 H new ATOM 0 HB2 ALA A 67 107.585 1.641 -18.932 1.00 0.00 H new ATOM 0 HB3 ALA A 67 106.981 -0.032 -18.869 1.00 0.00 H new ATOM 969 N GLY A 68 109.522 -1.721 -21.274 1.00 0.00 N ATOM 970 CA GLY A 68 109.968 -3.138 -21.418 1.00 0.00 C ATOM 971 C GLY A 68 111.425 -3.281 -20.960 1.00 0.00 C ATOM 972 O GLY A 68 111.802 -2.742 -19.937 1.00 0.00 O ATOM 0 H GLY A 68 109.532 -1.183 -22.140 1.00 0.00 H new ATOM 0 HA2 GLY A 68 109.327 -3.791 -20.826 1.00 0.00 H new ATOM 0 HA3 GLY A 68 109.873 -3.454 -22.457 1.00 0.00 H new ATOM 976 N THR A 69 112.191 -4.006 -21.736 1.00 0.00 N ATOM 977 CA THR A 69 113.641 -4.242 -21.430 1.00 0.00 C ATOM 978 C THR A 69 114.364 -4.650 -22.725 1.00 0.00 C ATOM 979 O THR A 69 114.341 -5.811 -23.089 1.00 0.00 O ATOM 980 CB THR A 69 113.789 -5.385 -20.379 1.00 0.00 C ATOM 981 OG1 THR A 69 113.107 -4.942 -19.214 1.00 0.00 O ATOM 982 CG2 THR A 69 115.251 -5.531 -19.913 1.00 0.00 C ATOM 0 H THR A 69 111.866 -4.457 -22.591 1.00 0.00 H new ATOM 0 HA THR A 69 114.077 -3.328 -21.026 1.00 0.00 H new ATOM 0 HB THR A 69 113.424 -6.314 -20.817 1.00 0.00 H new ATOM 0 HG1 THR A 69 112.166 -5.209 -19.265 1.00 0.00 H new ATOM 0 HG21 THR A 69 115.321 -6.336 -19.181 1.00 0.00 H new ATOM 0 HG22 THR A 69 115.884 -5.763 -20.769 1.00 0.00 H new ATOM 0 HG23 THR A 69 115.583 -4.597 -19.459 1.00 0.00 H new ATOM 990 N LYS A 70 114.973 -3.690 -23.385 1.00 0.00 N ATOM 991 CA LYS A 70 115.713 -3.985 -24.662 1.00 0.00 C ATOM 992 C LYS A 70 116.603 -5.233 -24.537 1.00 0.00 C ATOM 993 O LYS A 70 117.527 -5.260 -23.748 1.00 0.00 O ATOM 994 CB LYS A 70 116.607 -2.773 -25.044 1.00 0.00 C ATOM 995 CG LYS A 70 115.861 -1.785 -25.962 1.00 0.00 C ATOM 996 CD LYS A 70 115.717 -2.389 -27.380 1.00 0.00 C ATOM 997 CE LYS A 70 115.004 -1.382 -28.295 1.00 0.00 C ATOM 998 NZ LYS A 70 114.797 -1.990 -29.639 1.00 0.00 N ATOM 0 H LYS A 70 114.991 -2.712 -23.095 1.00 0.00 H new ATOM 0 HA LYS A 70 114.966 -4.171 -25.433 1.00 0.00 H new ATOM 0 HB2 LYS A 70 116.929 -2.258 -24.139 1.00 0.00 H new ATOM 0 HB3 LYS A 70 117.507 -3.128 -25.546 1.00 0.00 H new ATOM 0 HG2 LYS A 70 114.876 -1.564 -25.550 1.00 0.00 H new ATOM 0 HG3 LYS A 70 116.404 -0.841 -26.013 1.00 0.00 H new ATOM 0 HD2 LYS A 70 116.699 -2.632 -27.785 1.00 0.00 H new ATOM 0 HD3 LYS A 70 115.151 -3.320 -27.335 1.00 0.00 H new ATOM 0 HE2 LYS A 70 114.045 -1.097 -27.862 1.00 0.00 H new ATOM 0 HE3 LYS A 70 115.597 -0.472 -28.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 113.887 -1.671 -30.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 115.567 -1.698 -30.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 114.793 -3.027 -29.554 1.00 0.00 H new ATOM 1012 N GLY A 71 116.274 -6.220 -25.332 1.00 0.00 N ATOM 1013 CA GLY A 71 117.037 -7.504 -25.336 1.00 0.00 C ATOM 1014 C GLY A 71 116.076 -8.695 -25.294 1.00 0.00 C ATOM 1015 O GLY A 71 116.351 -9.720 -25.889 1.00 0.00 O ATOM 0 H GLY A 71 115.495 -6.189 -25.990 1.00 0.00 H new ATOM 0 HA2 GLY A 71 117.659 -7.562 -26.229 1.00 0.00 H new ATOM 0 HA3 GLY A 71 117.707 -7.539 -24.477 1.00 0.00 H new ATOM 1019 N CYS A 72 114.978 -8.526 -24.596 1.00 0.00 N ATOM 1020 CA CYS A 72 113.969 -9.622 -24.485 1.00 0.00 C ATOM 1021 C CYS A 72 112.792 -9.365 -25.414 1.00 0.00 C ATOM 1022 O CYS A 72 112.294 -8.261 -25.520 1.00 0.00 O ATOM 1023 CB CYS A 72 113.470 -9.723 -23.035 1.00 0.00 C ATOM 1024 SG CYS A 72 114.593 -10.431 -21.802 1.00 0.00 S ATOM 0 H CYS A 72 114.738 -7.670 -24.096 1.00 0.00 H new ATOM 0 HA CYS A 72 114.443 -10.560 -24.775 1.00 0.00 H new ATOM 0 HB2 CYS A 72 113.198 -8.721 -22.704 1.00 0.00 H new ATOM 0 HB3 CYS A 72 112.556 -10.317 -23.036 1.00 0.00 H new ATOM 1029 N LYS A 73 112.399 -10.430 -26.056 1.00 0.00 N ATOM 1030 CA LYS A 73 111.265 -10.387 -27.015 1.00 0.00 C ATOM 1031 C LYS A 73 109.943 -10.556 -26.256 1.00 0.00 C ATOM 1032 O LYS A 73 109.468 -11.664 -26.088 1.00 0.00 O ATOM 1033 CB LYS A 73 111.478 -11.521 -28.058 1.00 0.00 C ATOM 1034 CG LYS A 73 112.625 -11.182 -29.057 1.00 0.00 C ATOM 1035 CD LYS A 73 114.010 -11.084 -28.362 1.00 0.00 C ATOM 1036 CE LYS A 73 115.109 -10.863 -29.415 1.00 0.00 C ATOM 1037 NZ LYS A 73 114.881 -9.578 -30.133 1.00 0.00 N ATOM 0 H LYS A 73 112.829 -11.349 -25.952 1.00 0.00 H new ATOM 0 HA LYS A 73 111.223 -9.429 -27.533 1.00 0.00 H new ATOM 0 HB2 LYS A 73 111.710 -12.452 -27.540 1.00 0.00 H new ATOM 0 HB3 LYS A 73 110.553 -11.686 -28.610 1.00 0.00 H new ATOM 0 HG2 LYS A 73 112.665 -11.947 -29.833 1.00 0.00 H new ATOM 0 HG3 LYS A 73 112.403 -10.237 -29.553 1.00 0.00 H new ATOM 0 HD2 LYS A 73 114.010 -10.262 -27.646 1.00 0.00 H new ATOM 0 HD3 LYS A 73 114.210 -11.996 -27.800 1.00 0.00 H new ATOM 0 HE2 LYS A 73 116.087 -10.851 -28.934 1.00 0.00 H new ATOM 0 HE3 LYS A 73 115.114 -11.689 -30.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 115.753 -9.295 -30.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 114.117 -9.700 -30.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 114.613 -8.841 -29.450 1.00 0.00 H new ATOM 1051 N TYR A 74 109.397 -9.441 -25.822 1.00 0.00 N ATOM 1052 CA TYR A 74 108.101 -9.445 -25.066 1.00 0.00 C ATOM 1053 C TYR A 74 107.089 -10.301 -25.816 1.00 0.00 C ATOM 1054 O TYR A 74 106.868 -10.153 -27.001 1.00 0.00 O ATOM 1055 CB TYR A 74 107.630 -7.983 -24.907 1.00 0.00 C ATOM 1056 CG TYR A 74 108.439 -7.440 -23.714 1.00 0.00 C ATOM 1057 CD1 TYR A 74 109.748 -7.030 -23.871 1.00 0.00 C ATOM 1058 CD2 TYR A 74 107.868 -7.376 -22.457 1.00 0.00 C ATOM 1059 CE1 TYR A 74 110.473 -6.569 -22.793 1.00 0.00 C ATOM 1060 CE2 TYR A 74 108.591 -6.916 -21.380 1.00 0.00 C ATOM 1061 CZ TYR A 74 109.898 -6.510 -21.538 1.00 0.00 C ATOM 1062 OH TYR A 74 110.612 -6.058 -20.449 1.00 0.00 O ATOM 0 H TYR A 74 109.801 -8.515 -25.962 1.00 0.00 H new ATOM 0 HA TYR A 74 108.219 -9.876 -24.072 1.00 0.00 H new ATOM 0 HB2 TYR A 74 107.821 -7.405 -25.811 1.00 0.00 H new ATOM 0 HB3 TYR A 74 106.558 -7.931 -24.716 1.00 0.00 H new ATOM 0 HD1 TYR A 74 110.208 -7.071 -24.847 1.00 0.00 H new ATOM 0 HD2 TYR A 74 106.844 -7.690 -22.318 1.00 0.00 H new ATOM 0 HE1 TYR A 74 111.496 -6.252 -22.930 1.00 0.00 H new ATOM 0 HE2 TYR A 74 108.130 -6.873 -20.404 1.00 0.00 H new ATOM 0 HH TYR A 74 110.044 -6.086 -19.651 1.00 0.00 H new ATOM 1072 N PHE A 75 106.518 -11.186 -25.048 1.00 0.00 N ATOM 1073 CA PHE A 75 105.510 -12.147 -25.562 1.00 0.00 C ATOM 1074 C PHE A 75 104.356 -12.392 -24.585 1.00 0.00 C ATOM 1075 O PHE A 75 104.495 -12.271 -23.383 1.00 0.00 O ATOM 1076 CB PHE A 75 106.375 -13.392 -25.898 1.00 0.00 C ATOM 1077 CG PHE A 75 105.696 -14.756 -25.787 1.00 0.00 C ATOM 1078 CD1 PHE A 75 105.264 -15.226 -24.564 1.00 0.00 C ATOM 1079 CD2 PHE A 75 105.524 -15.538 -26.912 1.00 0.00 C ATOM 1080 CE1 PHE A 75 104.669 -16.457 -24.467 1.00 0.00 C ATOM 1081 CE2 PHE A 75 104.928 -16.772 -26.817 1.00 0.00 C ATOM 1082 CZ PHE A 75 104.499 -17.234 -25.590 1.00 0.00 C ATOM 0 H PHE A 75 106.717 -11.283 -24.052 1.00 0.00 H new ATOM 0 HA PHE A 75 104.962 -11.790 -26.434 1.00 0.00 H new ATOM 0 HB2 PHE A 75 106.748 -13.281 -26.916 1.00 0.00 H new ATOM 0 HB3 PHE A 75 107.243 -13.390 -25.238 1.00 0.00 H new ATOM 0 HD1 PHE A 75 105.395 -14.621 -23.679 1.00 0.00 H new ATOM 0 HD2 PHE A 75 105.860 -15.177 -27.873 1.00 0.00 H new ATOM 0 HE1 PHE A 75 104.333 -16.818 -23.506 1.00 0.00 H new ATOM 0 HE2 PHE A 75 104.796 -17.379 -27.701 1.00 0.00 H new ATOM 0 HZ PHE A 75 104.031 -18.204 -25.511 1.00 0.00 H new ATOM 1092 N SER A 76 103.243 -12.734 -25.182 1.00 0.00 N ATOM 1093 CA SER A 76 101.981 -13.022 -24.452 1.00 0.00 C ATOM 1094 C SER A 76 101.764 -14.504 -24.101 1.00 0.00 C ATOM 1095 O SER A 76 101.980 -15.389 -24.908 1.00 0.00 O ATOM 1096 CB SER A 76 100.836 -12.517 -25.314 1.00 0.00 C ATOM 1097 OG SER A 76 100.906 -13.229 -26.541 1.00 0.00 O ATOM 0 H SER A 76 103.160 -12.828 -26.194 1.00 0.00 H new ATOM 0 HA SER A 76 102.034 -12.515 -23.489 1.00 0.00 H new ATOM 0 HB2 SER A 76 99.878 -12.686 -24.823 1.00 0.00 H new ATOM 0 HB3 SER A 76 100.923 -11.444 -25.483 1.00 0.00 H new ATOM 0 HG SER A 76 101.664 -13.850 -26.516 1.00 0.00 H new ATOM 1103 N ASP A 77 101.327 -14.675 -22.877 1.00 0.00 N ATOM 1104 CA ASP A 77 101.030 -16.012 -22.266 1.00 0.00 C ATOM 1105 C ASP A 77 100.149 -16.943 -23.109 1.00 0.00 C ATOM 1106 O ASP A 77 100.277 -18.149 -23.009 1.00 0.00 O ATOM 1107 CB ASP A 77 100.349 -15.783 -20.898 1.00 0.00 C ATOM 1108 CG ASP A 77 99.224 -14.733 -21.048 1.00 0.00 C ATOM 1109 OD1 ASP A 77 98.177 -15.111 -21.550 1.00 0.00 O ATOM 1110 OD2 ASP A 77 99.478 -13.606 -20.651 1.00 0.00 O ATOM 0 H ASP A 77 101.155 -13.896 -22.241 1.00 0.00 H new ATOM 0 HA ASP A 77 101.990 -16.521 -22.182 1.00 0.00 H new ATOM 0 HB2 ASP A 77 99.938 -16.720 -20.524 1.00 0.00 H new ATOM 0 HB3 ASP A 77 101.083 -15.443 -20.167 1.00 0.00 H new ATOM 1115 N ASP A 78 99.287 -16.365 -23.906 1.00 0.00 N ATOM 1116 CA ASP A 78 98.377 -17.182 -24.771 1.00 0.00 C ATOM 1117 C ASP A 78 99.147 -18.122 -25.715 1.00 0.00 C ATOM 1118 O ASP A 78 98.575 -19.037 -26.276 1.00 0.00 O ATOM 1119 CB ASP A 78 97.486 -16.217 -25.585 1.00 0.00 C ATOM 1120 CG ASP A 78 98.342 -15.157 -26.304 1.00 0.00 C ATOM 1121 OD1 ASP A 78 99.143 -15.553 -27.133 1.00 0.00 O ATOM 1122 OD2 ASP A 78 98.144 -14.001 -25.977 1.00 0.00 O ATOM 0 H ASP A 78 99.172 -15.356 -23.997 1.00 0.00 H new ATOM 0 HA ASP A 78 97.770 -17.820 -24.128 1.00 0.00 H new ATOM 0 HB2 ASP A 78 96.906 -16.780 -26.316 1.00 0.00 H new ATOM 0 HB3 ASP A 78 96.773 -15.727 -24.922 1.00 0.00 H new ATOM 1127 N GLY A 79 100.421 -17.853 -25.852 1.00 0.00 N ATOM 1128 CA GLY A 79 101.309 -18.674 -26.729 1.00 0.00 C ATOM 1129 C GLY A 79 101.707 -17.903 -27.987 1.00 0.00 C ATOM 1130 O GLY A 79 101.973 -18.509 -29.007 1.00 0.00 O ATOM 0 H GLY A 79 100.893 -17.081 -25.381 1.00 0.00 H new ATOM 0 HA2 GLY A 79 102.204 -18.962 -26.177 1.00 0.00 H new ATOM 0 HA3 GLY A 79 100.797 -19.595 -27.010 1.00 0.00 H new ATOM 1134 N THR A 80 101.740 -16.595 -27.887 1.00 0.00 N ATOM 1135 CA THR A 80 102.117 -15.752 -29.064 1.00 0.00 C ATOM 1136 C THR A 80 103.028 -14.607 -28.618 1.00 0.00 C ATOM 1137 O THR A 80 103.068 -14.256 -27.458 1.00 0.00 O ATOM 1138 CB THR A 80 100.835 -15.197 -29.682 1.00 0.00 C ATOM 1139 OG1 THR A 80 100.039 -16.336 -29.977 1.00 0.00 O ATOM 1140 CG2 THR A 80 101.063 -14.524 -31.049 1.00 0.00 C ATOM 0 H THR A 80 101.521 -16.074 -27.038 1.00 0.00 H new ATOM 0 HA THR A 80 102.657 -16.350 -29.798 1.00 0.00 H new ATOM 0 HB THR A 80 100.408 -14.469 -28.992 1.00 0.00 H new ATOM 0 HG1 THR A 80 99.457 -16.535 -29.214 1.00 0.00 H new ATOM 0 HG21 THR A 80 100.114 -14.151 -31.434 1.00 0.00 H new ATOM 0 HG22 THR A 80 101.759 -13.693 -30.934 1.00 0.00 H new ATOM 0 HG23 THR A 80 101.477 -15.251 -31.748 1.00 0.00 H new ATOM 1148 N PHE A 81 103.736 -14.067 -29.574 1.00 0.00 N ATOM 1149 CA PHE A 81 104.677 -12.935 -29.332 1.00 0.00 C ATOM 1150 C PHE A 81 103.908 -11.600 -29.247 1.00 0.00 C ATOM 1151 O PHE A 81 102.738 -11.539 -29.575 1.00 0.00 O ATOM 1152 CB PHE A 81 105.677 -12.976 -30.494 1.00 0.00 C ATOM 1153 CG PHE A 81 106.539 -11.702 -30.575 1.00 0.00 C ATOM 1154 CD1 PHE A 81 107.609 -11.503 -29.739 1.00 0.00 C ATOM 1155 CD2 PHE A 81 106.245 -10.729 -31.499 1.00 0.00 C ATOM 1156 CE1 PHE A 81 108.370 -10.356 -29.823 1.00 0.00 C ATOM 1157 CE2 PHE A 81 106.998 -9.577 -31.594 1.00 0.00 C ATOM 1158 CZ PHE A 81 108.093 -9.348 -30.755 1.00 0.00 C ATOM 0 H PHE A 81 103.699 -14.375 -30.546 1.00 0.00 H new ATOM 0 HA PHE A 81 105.202 -13.023 -28.381 1.00 0.00 H new ATOM 0 HB2 PHE A 81 106.327 -13.844 -30.380 1.00 0.00 H new ATOM 0 HB3 PHE A 81 105.135 -13.105 -31.431 1.00 0.00 H new ATOM 0 HD1 PHE A 81 107.859 -12.255 -29.005 1.00 0.00 H new ATOM 0 HD2 PHE A 81 105.407 -10.869 -32.165 1.00 0.00 H new ATOM 0 HE1 PHE A 81 109.205 -10.231 -29.150 1.00 0.00 H new ATOM 0 HE2 PHE A 81 106.736 -8.835 -32.333 1.00 0.00 H new ATOM 0 HZ PHE A 81 108.688 -8.449 -30.822 1.00 0.00 H new ATOM 1168 N VAL A 82 104.600 -10.579 -28.802 1.00 0.00 N ATOM 1169 CA VAL A 82 103.995 -9.217 -28.662 1.00 0.00 C ATOM 1170 C VAL A 82 104.930 -8.153 -29.260 1.00 0.00 C ATOM 1171 O VAL A 82 104.653 -7.627 -30.321 1.00 0.00 O ATOM 1172 CB VAL A 82 103.735 -8.951 -27.144 1.00 0.00 C ATOM 1173 CG1 VAL A 82 103.219 -7.512 -26.916 1.00 0.00 C ATOM 1174 CG2 VAL A 82 102.648 -9.919 -26.650 1.00 0.00 C ATOM 0 H VAL A 82 105.580 -10.634 -28.524 1.00 0.00 H new ATOM 0 HA VAL A 82 103.052 -9.164 -29.207 1.00 0.00 H new ATOM 0 HB VAL A 82 104.672 -9.091 -26.606 1.00 0.00 H new ATOM 0 HG11 VAL A 82 103.046 -7.352 -25.852 1.00 0.00 H new ATOM 0 HG12 VAL A 82 103.961 -6.798 -27.274 1.00 0.00 H new ATOM 0 HG13 VAL A 82 102.286 -7.369 -27.461 1.00 0.00 H new ATOM 0 HG21 VAL A 82 102.458 -9.743 -25.591 1.00 0.00 H new ATOM 0 HG22 VAL A 82 101.731 -9.755 -27.216 1.00 0.00 H new ATOM 0 HG23 VAL A 82 102.984 -10.946 -26.792 1.00 0.00 H new ATOM 1184 N CYS A 83 106.006 -7.866 -28.569 1.00 0.00 N ATOM 1185 CA CYS A 83 106.985 -6.840 -29.055 1.00 0.00 C ATOM 1186 C CYS A 83 108.366 -7.156 -28.448 1.00 0.00 C ATOM 1187 O CYS A 83 108.583 -8.219 -27.907 1.00 0.00 O ATOM 1188 CB CYS A 83 106.535 -5.446 -28.583 1.00 0.00 C ATOM 1189 SG CYS A 83 107.158 -4.976 -26.948 1.00 0.00 S ATOM 0 H CYS A 83 106.251 -8.302 -27.680 1.00 0.00 H new ATOM 0 HA CYS A 83 107.038 -6.857 -30.144 1.00 0.00 H new ATOM 0 HB2 CYS A 83 106.864 -4.705 -29.311 1.00 0.00 H new ATOM 0 HB3 CYS A 83 105.446 -5.415 -28.567 1.00 0.00 H new ATOM 1194 N GLU A 84 109.257 -6.208 -28.569 1.00 0.00 N ATOM 1195 CA GLU A 84 110.647 -6.340 -28.024 1.00 0.00 C ATOM 1196 C GLU A 84 110.759 -5.196 -26.999 1.00 0.00 C ATOM 1197 O GLU A 84 110.084 -4.193 -27.147 1.00 0.00 O ATOM 1198 CB GLU A 84 111.678 -6.144 -29.149 1.00 0.00 C ATOM 1199 CG GLU A 84 113.105 -6.376 -28.590 1.00 0.00 C ATOM 1200 CD GLU A 84 114.144 -6.022 -29.668 1.00 0.00 C ATOM 1201 OE1 GLU A 84 114.296 -6.831 -30.569 1.00 0.00 O ATOM 1202 OE2 GLU A 84 114.728 -4.959 -29.527 1.00 0.00 O ATOM 0 H GLU A 84 109.076 -5.320 -29.037 1.00 0.00 H new ATOM 0 HA GLU A 84 110.836 -7.320 -27.585 1.00 0.00 H new ATOM 0 HB2 GLU A 84 111.478 -6.839 -29.965 1.00 0.00 H new ATOM 0 HB3 GLU A 84 111.596 -5.138 -29.560 1.00 0.00 H new ATOM 0 HG2 GLU A 84 113.263 -5.763 -27.703 1.00 0.00 H new ATOM 0 HG3 GLU A 84 113.222 -7.416 -28.284 1.00 0.00 H new ATOM 1209 N GLY A 85 111.588 -5.356 -25.996 1.00 0.00 N ATOM 1210 CA GLY A 85 111.735 -4.274 -24.971 1.00 0.00 C ATOM 1211 C GLY A 85 112.066 -2.942 -25.652 1.00 0.00 C ATOM 1212 O GLY A 85 112.988 -2.880 -26.438 1.00 0.00 O ATOM 0 H GLY A 85 112.166 -6.183 -25.843 1.00 0.00 H new ATOM 0 HA2 GLY A 85 110.813 -4.178 -24.398 1.00 0.00 H new ATOM 0 HA3 GLY A 85 112.523 -4.536 -24.265 1.00 0.00 H new ATOM 1216 N GLU A 86 111.305 -1.924 -25.337 1.00 0.00 N ATOM 1217 CA GLU A 86 111.538 -0.574 -25.947 1.00 0.00 C ATOM 1218 C GLU A 86 112.520 0.263 -25.112 1.00 0.00 C ATOM 1219 O GLU A 86 113.173 1.145 -25.637 1.00 0.00 O ATOM 1220 CB GLU A 86 110.179 0.134 -26.050 1.00 0.00 C ATOM 1221 CG GLU A 86 110.301 1.475 -26.805 1.00 0.00 C ATOM 1222 CD GLU A 86 108.911 2.132 -26.871 1.00 0.00 C ATOM 1223 OE1 GLU A 86 108.126 1.670 -27.684 1.00 0.00 O ATOM 1224 OE2 GLU A 86 108.708 3.059 -26.103 1.00 0.00 O ATOM 0 H GLU A 86 110.527 -1.968 -24.679 1.00 0.00 H new ATOM 0 HA GLU A 86 111.986 -0.692 -26.934 1.00 0.00 H new ATOM 0 HB2 GLU A 86 109.468 -0.512 -26.565 1.00 0.00 H new ATOM 0 HB3 GLU A 86 109.782 0.312 -25.050 1.00 0.00 H new ATOM 0 HG2 GLU A 86 111.006 2.132 -26.296 1.00 0.00 H new ATOM 0 HG3 GLU A 86 110.689 1.309 -27.810 1.00 0.00 H new ATOM 1231 N SER A 87 112.597 -0.040 -23.840 1.00 0.00 N ATOM 1232 CA SER A 87 113.511 0.706 -22.930 1.00 0.00 C ATOM 1233 C SER A 87 114.982 0.391 -23.243 1.00 0.00 C ATOM 1234 O SER A 87 115.537 -0.593 -22.790 1.00 0.00 O ATOM 1235 CB SER A 87 113.138 0.315 -21.492 1.00 0.00 C ATOM 1236 OG SER A 87 113.283 -1.097 -21.454 1.00 0.00 O ATOM 0 H SER A 87 112.058 -0.781 -23.391 1.00 0.00 H new ATOM 0 HA SER A 87 113.398 1.782 -23.066 1.00 0.00 H new ATOM 0 HB2 SER A 87 113.792 0.800 -20.767 1.00 0.00 H new ATOM 0 HB3 SER A 87 112.118 0.615 -21.252 1.00 0.00 H new ATOM 0 HG SER A 87 112.912 -1.441 -20.615 1.00 0.00 H new ATOM 1242 N ASP A 88 115.558 1.264 -24.028 1.00 0.00 N ATOM 1243 CA ASP A 88 116.986 1.127 -24.443 1.00 0.00 C ATOM 1244 C ASP A 88 117.813 2.021 -23.497 1.00 0.00 C ATOM 1245 O ASP A 88 117.391 3.133 -23.242 1.00 0.00 O ATOM 1246 CB ASP A 88 117.104 1.603 -25.906 1.00 0.00 C ATOM 1247 CG ASP A 88 118.379 1.082 -26.600 1.00 0.00 C ATOM 1248 OD1 ASP A 88 119.448 1.252 -26.038 1.00 0.00 O ATOM 1249 OD2 ASP A 88 118.205 0.533 -27.676 1.00 0.00 O ATOM 0 H ASP A 88 115.087 2.085 -24.407 1.00 0.00 H new ATOM 0 HA ASP A 88 117.346 0.100 -24.383 1.00 0.00 H new ATOM 0 HB2 ASP A 88 116.229 1.269 -26.464 1.00 0.00 H new ATOM 0 HB3 ASP A 88 117.101 2.693 -25.931 1.00 0.00 H new ATOM 1254 N PRO A 89 118.943 1.556 -22.999 1.00 0.00 N ATOM 1255 CA PRO A 89 119.938 2.431 -22.293 1.00 0.00 C ATOM 1256 C PRO A 89 120.155 3.761 -23.044 1.00 0.00 C ATOM 1257 O PRO A 89 120.510 4.769 -22.464 1.00 0.00 O ATOM 1258 CB PRO A 89 121.216 1.598 -22.198 1.00 0.00 C ATOM 1259 CG PRO A 89 120.842 0.145 -22.551 1.00 0.00 C ATOM 1260 CD PRO A 89 119.388 0.128 -23.054 1.00 0.00 C ATOM 0 HA PRO A 89 119.590 2.725 -21.303 1.00 0.00 H new ATOM 0 HB2 PRO A 89 121.974 1.977 -22.883 1.00 0.00 H new ATOM 0 HB3 PRO A 89 121.637 1.654 -21.194 1.00 0.00 H new ATOM 0 HG2 PRO A 89 121.513 -0.244 -23.317 1.00 0.00 H new ATOM 0 HG3 PRO A 89 120.949 -0.497 -21.677 1.00 0.00 H new ATOM 0 HD2 PRO A 89 119.326 -0.266 -24.068 1.00 0.00 H new ATOM 0 HD3 PRO A 89 118.761 -0.505 -22.427 1.00 0.00 H new ATOM 1268 N ARG A 90 119.922 3.687 -24.328 1.00 0.00 N ATOM 1269 CA ARG A 90 120.059 4.842 -25.258 1.00 0.00 C ATOM 1270 C ARG A 90 119.003 5.904 -24.912 1.00 0.00 C ATOM 1271 O ARG A 90 119.335 7.050 -24.681 1.00 0.00 O ATOM 1272 CB ARG A 90 119.872 4.286 -26.677 1.00 0.00 C ATOM 1273 CG ARG A 90 119.707 5.386 -27.744 1.00 0.00 C ATOM 1274 CD ARG A 90 119.462 4.714 -29.123 1.00 0.00 C ATOM 1275 NE ARG A 90 118.419 3.638 -28.992 1.00 0.00 N ATOM 1276 CZ ARG A 90 117.162 3.895 -28.725 1.00 0.00 C ATOM 1277 NH1 ARG A 90 116.746 5.123 -28.564 1.00 0.00 N ATOM 1278 NH2 ARG A 90 116.344 2.884 -28.624 1.00 0.00 N ATOM 0 H ARG A 90 119.627 2.826 -24.789 1.00 0.00 H new ATOM 0 HA ARG A 90 121.033 5.325 -25.177 1.00 0.00 H new ATOM 0 HB2 ARG A 90 120.731 3.666 -26.933 1.00 0.00 H new ATOM 0 HB3 ARG A 90 118.995 3.638 -26.694 1.00 0.00 H new ATOM 0 HG2 ARG A 90 118.872 6.038 -27.488 1.00 0.00 H new ATOM 0 HG3 ARG A 90 120.599 6.011 -27.782 1.00 0.00 H new ATOM 0 HD2 ARG A 90 119.138 5.460 -29.848 1.00 0.00 H new ATOM 0 HD3 ARG A 90 120.392 4.287 -29.499 1.00 0.00 H new ATOM 0 HE ARG A 90 118.702 2.666 -29.116 1.00 0.00 H new ATOM 0 HH11 ARG A 90 117.403 5.899 -28.646 1.00 0.00 H new ATOM 0 HH12 ARG A 90 115.764 5.306 -28.357 1.00 0.00 H new ATOM 0 HH21 ARG A 90 116.690 1.933 -28.752 1.00 0.00 H new ATOM 0 HH22 ARG A 90 115.358 3.044 -28.417 1.00 0.00 H new ATOM 1292 N ASN A 91 117.763 5.479 -24.888 1.00 0.00 N ATOM 1293 CA ASN A 91 116.644 6.414 -24.566 1.00 0.00 C ATOM 1294 C ASN A 91 116.346 6.458 -23.052 1.00 0.00 C ATOM 1295 O ASN A 91 116.361 5.436 -22.395 1.00 0.00 O ATOM 1296 CB ASN A 91 115.373 5.972 -25.346 1.00 0.00 C ATOM 1297 CG ASN A 91 114.991 4.505 -25.080 1.00 0.00 C ATOM 1298 OD1 ASN A 91 114.733 4.095 -23.965 1.00 0.00 O ATOM 1299 ND2 ASN A 91 114.940 3.678 -26.087 1.00 0.00 N ATOM 0 H ASN A 91 117.478 4.518 -25.079 1.00 0.00 H new ATOM 0 HA ASN A 91 116.941 7.419 -24.866 1.00 0.00 H new ATOM 0 HB2 ASN A 91 114.539 6.616 -25.068 1.00 0.00 H new ATOM 0 HB3 ASN A 91 115.541 6.111 -26.414 1.00 0.00 H new ATOM 0 HD21 ASN A 91 114.686 2.702 -25.933 1.00 0.00 H new ATOM 0 HD22 ASN A 91 115.154 4.007 -27.029 1.00 0.00 H new ATOM 1306 N PRO A 92 116.090 7.635 -22.525 1.00 0.00 N ATOM 1307 CA PRO A 92 115.389 7.807 -21.222 1.00 0.00 C ATOM 1308 C PRO A 92 113.865 7.675 -21.442 1.00 0.00 C ATOM 1309 O PRO A 92 113.095 8.509 -21.002 1.00 0.00 O ATOM 1310 CB PRO A 92 115.828 9.189 -20.738 1.00 0.00 C ATOM 1311 CG PRO A 92 116.226 9.974 -22.004 1.00 0.00 C ATOM 1312 CD PRO A 92 116.466 8.947 -23.131 1.00 0.00 C ATOM 0 HA PRO A 92 115.633 7.054 -20.472 1.00 0.00 H new ATOM 0 HB2 PRO A 92 115.020 9.691 -20.205 1.00 0.00 H new ATOM 0 HB3 PRO A 92 116.667 9.112 -20.046 1.00 0.00 H new ATOM 0 HG2 PRO A 92 115.439 10.674 -22.284 1.00 0.00 H new ATOM 0 HG3 PRO A 92 117.126 10.562 -21.823 1.00 0.00 H new ATOM 0 HD2 PRO A 92 115.857 9.169 -24.007 1.00 0.00 H new ATOM 0 HD3 PRO A 92 117.506 8.951 -23.457 1.00 0.00 H new ATOM 1320 N LYS A 93 113.474 6.622 -22.120 1.00 0.00 N ATOM 1321 CA LYS A 93 112.020 6.391 -22.395 1.00 0.00 C ATOM 1322 C LYS A 93 111.276 6.087 -21.090 1.00 0.00 C ATOM 1323 O LYS A 93 111.820 5.512 -20.168 1.00 0.00 O ATOM 1324 CB LYS A 93 111.874 5.205 -23.375 1.00 0.00 C ATOM 1325 CG LYS A 93 110.404 4.941 -23.830 1.00 0.00 C ATOM 1326 CD LYS A 93 109.985 5.775 -25.082 1.00 0.00 C ATOM 1327 CE LYS A 93 110.030 7.299 -24.865 1.00 0.00 C ATOM 1328 NZ LYS A 93 109.164 7.692 -23.717 1.00 0.00 N ATOM 0 H LYS A 93 114.101 5.911 -22.496 1.00 0.00 H new ATOM 0 HA LYS A 93 111.588 7.288 -22.838 1.00 0.00 H new ATOM 0 HB2 LYS A 93 112.488 5.395 -24.255 1.00 0.00 H new ATOM 0 HB3 LYS A 93 112.265 4.304 -22.902 1.00 0.00 H new ATOM 0 HG2 LYS A 93 110.285 3.881 -24.052 1.00 0.00 H new ATOM 0 HG3 LYS A 93 109.729 5.172 -23.006 1.00 0.00 H new ATOM 0 HD2 LYS A 93 110.641 5.517 -25.913 1.00 0.00 H new ATOM 0 HD3 LYS A 93 108.974 5.490 -25.374 1.00 0.00 H new ATOM 0 HE2 LYS A 93 111.056 7.615 -24.678 1.00 0.00 H new ATOM 0 HE3 LYS A 93 109.699 7.810 -25.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 108.481 8.412 -24.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 108.652 6.857 -23.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 109.754 8.082 -22.954 1.00 0.00 H new ATOM 1342 N ALA A 94 110.040 6.501 -21.088 1.00 0.00 N ATOM 1343 CA ALA A 94 109.141 6.304 -19.910 1.00 0.00 C ATOM 1344 C ALA A 94 107.671 6.426 -20.334 1.00 0.00 C ATOM 1345 O ALA A 94 107.351 7.100 -21.294 1.00 0.00 O ATOM 1346 CB ALA A 94 109.466 7.367 -18.849 1.00 0.00 C ATOM 0 H ALA A 94 109.601 6.981 -21.874 1.00 0.00 H new ATOM 0 HA ALA A 94 109.301 5.308 -19.498 1.00 0.00 H new ATOM 0 HB1 ALA A 94 108.815 7.231 -17.986 1.00 0.00 H new ATOM 0 HB2 ALA A 94 110.506 7.265 -18.538 1.00 0.00 H new ATOM 0 HB3 ALA A 94 109.308 8.360 -19.269 1.00 0.00 H new ATOM 1352 N CYS A 95 106.830 5.758 -19.586 1.00 0.00 N ATOM 1353 CA CYS A 95 105.354 5.758 -19.844 1.00 0.00 C ATOM 1354 C CYS A 95 104.609 5.418 -18.536 1.00 0.00 C ATOM 1355 O CYS A 95 105.234 4.986 -17.586 1.00 0.00 O ATOM 1356 CB CYS A 95 105.031 4.705 -20.922 1.00 0.00 C ATOM 1357 SG CYS A 95 105.633 4.990 -22.604 1.00 0.00 S ATOM 0 H CYS A 95 107.112 5.196 -18.783 1.00 0.00 H new ATOM 0 HA CYS A 95 105.036 6.741 -20.192 1.00 0.00 H new ATOM 0 HB2 CYS A 95 105.430 3.749 -20.583 1.00 0.00 H new ATOM 0 HB3 CYS A 95 103.947 4.599 -20.970 1.00 0.00 H new ATOM 1362 N PRO A 96 103.305 5.617 -18.503 1.00 0.00 N ATOM 1363 CA PRO A 96 102.424 5.034 -17.442 1.00 0.00 C ATOM 1364 C PRO A 96 102.557 3.498 -17.336 1.00 0.00 C ATOM 1365 O PRO A 96 103.516 2.913 -17.805 1.00 0.00 O ATOM 1366 CB PRO A 96 100.995 5.471 -17.809 1.00 0.00 C ATOM 1367 CG PRO A 96 101.088 6.415 -19.017 1.00 0.00 C ATOM 1368 CD PRO A 96 102.548 6.447 -19.492 1.00 0.00 C ATOM 0 HA PRO A 96 102.710 5.395 -16.454 1.00 0.00 H new ATOM 0 HB2 PRO A 96 100.380 4.604 -18.049 1.00 0.00 H new ATOM 0 HB3 PRO A 96 100.521 5.975 -16.966 1.00 0.00 H new ATOM 0 HG2 PRO A 96 100.435 6.071 -19.819 1.00 0.00 H new ATOM 0 HG3 PRO A 96 100.756 7.416 -18.743 1.00 0.00 H new ATOM 0 HD2 PRO A 96 102.643 6.042 -20.499 1.00 0.00 H new ATOM 0 HD3 PRO A 96 102.929 7.468 -19.522 1.00 0.00 H new ATOM 1376 N ARG A 97 101.578 2.885 -16.719 1.00 0.00 N ATOM 1377 CA ARG A 97 101.597 1.398 -16.554 1.00 0.00 C ATOM 1378 C ARG A 97 101.161 0.749 -17.868 1.00 0.00 C ATOM 1379 O ARG A 97 101.757 -0.217 -18.302 1.00 0.00 O ATOM 1380 CB ARG A 97 100.624 0.989 -15.432 1.00 0.00 C ATOM 1381 CG ARG A 97 101.031 1.674 -14.108 1.00 0.00 C ATOM 1382 CD ARG A 97 100.083 1.233 -12.979 1.00 0.00 C ATOM 1383 NE ARG A 97 100.243 -0.240 -12.764 1.00 0.00 N ATOM 1384 CZ ARG A 97 99.512 -0.885 -11.888 1.00 0.00 C ATOM 1385 NH1 ARG A 97 98.615 -0.254 -11.176 1.00 0.00 N ATOM 1386 NH2 ARG A 97 99.709 -2.166 -11.751 1.00 0.00 N ATOM 0 H ARG A 97 100.763 3.352 -16.321 1.00 0.00 H new ATOM 0 HA ARG A 97 102.603 1.069 -16.293 1.00 0.00 H new ATOM 0 HB2 ARG A 97 99.606 1.272 -15.700 1.00 0.00 H new ATOM 0 HB3 ARG A 97 100.632 -0.094 -15.309 1.00 0.00 H new ATOM 0 HG2 ARG A 97 102.059 1.414 -13.854 1.00 0.00 H new ATOM 0 HG3 ARG A 97 100.995 2.757 -14.223 1.00 0.00 H new ATOM 0 HD2 ARG A 97 100.311 1.775 -12.061 1.00 0.00 H new ATOM 0 HD3 ARG A 97 99.051 1.467 -13.240 1.00 0.00 H new ATOM 0 HE ARG A 97 100.935 -0.752 -13.311 1.00 0.00 H new ATOM 0 HH11 ARG A 97 98.479 0.749 -11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 97 98.051 -0.765 -10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 97 100.415 -2.637 -12.317 1.00 0.00 H new ATOM 0 HH22 ARG A 97 99.157 -2.698 -11.078 1.00 0.00 H new ATOM 1400 N ASN A 98 100.129 1.321 -18.449 1.00 0.00 N ATOM 1401 CA ASN A 98 99.560 0.824 -19.745 1.00 0.00 C ATOM 1402 C ASN A 98 99.408 -0.704 -19.668 1.00 0.00 C ATOM 1403 O ASN A 98 99.914 -1.442 -20.493 1.00 0.00 O ATOM 1404 CB ASN A 98 100.520 1.248 -20.882 1.00 0.00 C ATOM 1405 CG ASN A 98 100.744 2.765 -20.823 1.00 0.00 C ATOM 1406 OD1 ASN A 98 99.964 3.548 -21.330 1.00 0.00 O ATOM 1407 ND2 ASN A 98 101.803 3.216 -20.209 1.00 0.00 N ATOM 0 H ASN A 98 99.645 2.134 -18.067 1.00 0.00 H new ATOM 0 HA ASN A 98 98.575 1.249 -19.941 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.471 0.725 -20.783 1.00 0.00 H new ATOM 0 HB3 ASN A 98 100.102 0.969 -21.849 1.00 0.00 H new ATOM 0 HD21 ASN A 98 101.973 4.220 -20.156 1.00 0.00 H new ATOM 0 HD22 ASN A 98 102.461 2.564 -19.782 1.00 0.00 H new ATOM 1414 N CYS A 99 98.699 -1.107 -18.642 1.00 0.00 N ATOM 1415 CA CYS A 99 98.436 -2.553 -18.377 1.00 0.00 C ATOM 1416 C CYS A 99 98.076 -3.355 -19.634 1.00 0.00 C ATOM 1417 O CYS A 99 97.167 -2.998 -20.358 1.00 0.00 O ATOM 1418 CB CYS A 99 97.285 -2.670 -17.348 1.00 0.00 C ATOM 1419 SG CYS A 99 97.467 -1.815 -15.761 1.00 0.00 S ATOM 0 H CYS A 99 98.281 -0.475 -17.960 1.00 0.00 H new ATOM 0 HA CYS A 99 99.362 -2.980 -17.993 1.00 0.00 H new ATOM 0 HB2 CYS A 99 96.375 -2.302 -17.822 1.00 0.00 H new ATOM 0 HB3 CYS A 99 97.130 -3.729 -17.140 1.00 0.00 H new ATOM 1424 N ASP A 100 98.820 -4.415 -19.838 1.00 0.00 N ATOM 1425 CA ASP A 100 98.601 -5.306 -21.015 1.00 0.00 C ATOM 1426 C ASP A 100 98.196 -6.703 -20.484 1.00 0.00 C ATOM 1427 O ASP A 100 99.044 -7.556 -20.316 1.00 0.00 O ATOM 1428 CB ASP A 100 99.926 -5.363 -21.835 1.00 0.00 C ATOM 1429 CG ASP A 100 99.745 -6.091 -23.190 1.00 0.00 C ATOM 1430 OD1 ASP A 100 98.901 -6.971 -23.282 1.00 0.00 O ATOM 1431 OD2 ASP A 100 100.485 -5.715 -24.086 1.00 0.00 O ATOM 0 H ASP A 100 99.583 -4.703 -19.226 1.00 0.00 H new ATOM 0 HA ASP A 100 97.809 -4.938 -21.668 1.00 0.00 H new ATOM 0 HB2 ASP A 100 100.284 -4.349 -22.014 1.00 0.00 H new ATOM 0 HB3 ASP A 100 100.692 -5.873 -21.250 1.00 0.00 H new ATOM 1436 N PRO A 101 96.921 -6.916 -20.232 1.00 0.00 N ATOM 1437 CA PRO A 101 96.409 -8.208 -19.678 1.00 0.00 C ATOM 1438 C PRO A 101 96.860 -9.431 -20.499 1.00 0.00 C ATOM 1439 O PRO A 101 96.962 -10.525 -19.977 1.00 0.00 O ATOM 1440 CB PRO A 101 94.884 -8.083 -19.651 1.00 0.00 C ATOM 1441 CG PRO A 101 94.524 -6.678 -20.158 1.00 0.00 C ATOM 1442 CD PRO A 101 95.826 -5.923 -20.457 1.00 0.00 C ATOM 0 HA PRO A 101 96.816 -8.378 -18.681 1.00 0.00 H new ATOM 0 HB2 PRO A 101 94.426 -8.846 -20.280 1.00 0.00 H new ATOM 0 HB3 PRO A 101 94.505 -8.234 -18.640 1.00 0.00 H new ATOM 0 HG2 PRO A 101 93.909 -6.745 -21.056 1.00 0.00 H new ATOM 0 HG3 PRO A 101 93.939 -6.143 -19.410 1.00 0.00 H new ATOM 0 HD2 PRO A 101 95.838 -5.550 -21.481 1.00 0.00 H new ATOM 0 HD3 PRO A 101 95.938 -5.059 -19.802 1.00 0.00 H new ATOM 1450 N ARG A 102 97.115 -9.194 -21.761 1.00 0.00 N ATOM 1451 CA ARG A 102 97.554 -10.283 -22.684 1.00 0.00 C ATOM 1452 C ARG A 102 99.060 -10.607 -22.622 1.00 0.00 C ATOM 1453 O ARG A 102 99.423 -11.756 -22.782 1.00 0.00 O ATOM 1454 CB ARG A 102 97.145 -9.856 -24.114 1.00 0.00 C ATOM 1455 CG ARG A 102 97.478 -10.964 -25.131 1.00 0.00 C ATOM 1456 CD ARG A 102 96.993 -10.549 -26.530 1.00 0.00 C ATOM 1457 NE ARG A 102 97.349 -11.640 -27.492 1.00 0.00 N ATOM 1458 CZ ARG A 102 98.551 -11.749 -28.004 1.00 0.00 C ATOM 1459 NH1 ARG A 102 99.494 -10.901 -27.692 1.00 0.00 N ATOM 1460 NH2 ARG A 102 98.775 -12.728 -28.834 1.00 0.00 N ATOM 0 H ARG A 102 97.036 -8.275 -22.197 1.00 0.00 H new ATOM 0 HA ARG A 102 97.067 -11.208 -22.375 1.00 0.00 H new ATOM 0 HB2 ARG A 102 96.077 -9.639 -24.142 1.00 0.00 H new ATOM 0 HB3 ARG A 102 97.664 -8.937 -24.387 1.00 0.00 H new ATOM 0 HG2 ARG A 102 98.553 -11.144 -25.147 1.00 0.00 H new ATOM 0 HG3 ARG A 102 97.002 -11.899 -24.833 1.00 0.00 H new ATOM 0 HD2 ARG A 102 95.916 -10.383 -26.525 1.00 0.00 H new ATOM 0 HD3 ARG A 102 97.458 -9.610 -26.831 1.00 0.00 H new ATOM 0 HE ARG A 102 96.635 -12.319 -27.757 1.00 0.00 H new ATOM 0 HH11 ARG A 102 99.301 -10.140 -27.041 1.00 0.00 H new ATOM 0 HH12 ARG A 102 100.424 -11.000 -28.099 1.00 0.00 H new ATOM 0 HH21 ARG A 102 98.026 -13.380 -29.067 1.00 0.00 H new ATOM 0 HH22 ARG A 102 99.699 -12.842 -29.251 1.00 0.00 H new ATOM 1474 N ILE A 103 99.893 -9.621 -22.389 1.00 0.00 N ATOM 1475 CA ILE A 103 101.373 -9.880 -22.327 1.00 0.00 C ATOM 1476 C ILE A 103 101.720 -10.810 -21.148 1.00 0.00 C ATOM 1477 O ILE A 103 100.887 -11.065 -20.299 1.00 0.00 O ATOM 1478 CB ILE A 103 102.089 -8.488 -22.212 1.00 0.00 C ATOM 1479 CG1 ILE A 103 103.525 -8.585 -22.802 1.00 0.00 C ATOM 1480 CG2 ILE A 103 102.204 -8.033 -20.733 1.00 0.00 C ATOM 1481 CD1 ILE A 103 104.109 -7.165 -22.975 1.00 0.00 C ATOM 0 H ILE A 103 99.617 -8.651 -22.239 1.00 0.00 H new ATOM 0 HA ILE A 103 101.714 -10.394 -23.226 1.00 0.00 H new ATOM 0 HB ILE A 103 101.491 -7.763 -22.765 1.00 0.00 H new ATOM 0 HG12 ILE A 103 104.162 -9.173 -22.142 1.00 0.00 H new ATOM 0 HG13 ILE A 103 103.501 -9.099 -23.763 1.00 0.00 H new ATOM 0 HG21 ILE A 103 102.704 -7.066 -20.688 1.00 0.00 H new ATOM 0 HG22 ILE A 103 101.207 -7.946 -20.300 1.00 0.00 H new ATOM 0 HG23 ILE A 103 102.781 -8.767 -20.170 1.00 0.00 H new ATOM 0 HD11 ILE A 103 105.115 -7.233 -23.388 1.00 0.00 H new ATOM 0 HD12 ILE A 103 103.476 -6.592 -23.653 1.00 0.00 H new ATOM 0 HD13 ILE A 103 104.148 -6.667 -22.006 1.00 0.00 H new ATOM 1493 N ALA A 104 102.942 -11.285 -21.137 1.00 0.00 N ATOM 1494 CA ALA A 104 103.397 -12.200 -20.045 1.00 0.00 C ATOM 1495 C ALA A 104 104.877 -11.978 -19.712 1.00 0.00 C ATOM 1496 O ALA A 104 105.196 -11.432 -18.674 1.00 0.00 O ATOM 1497 CB ALA A 104 103.159 -13.643 -20.504 1.00 0.00 C ATOM 0 H ALA A 104 103.648 -11.076 -21.843 1.00 0.00 H new ATOM 0 HA ALA A 104 102.831 -11.993 -19.136 1.00 0.00 H new ATOM 0 HB1 ALA A 104 103.483 -14.331 -19.723 1.00 0.00 H new ATOM 0 HB2 ALA A 104 102.097 -13.792 -20.701 1.00 0.00 H new ATOM 0 HB3 ALA A 104 103.727 -13.833 -21.415 1.00 0.00 H new ATOM 1503 N TYR A 105 105.733 -12.410 -20.604 1.00 0.00 N ATOM 1504 CA TYR A 105 107.207 -12.258 -20.402 1.00 0.00 C ATOM 1505 C TYR A 105 107.953 -12.115 -21.722 1.00 0.00 C ATOM 1506 O TYR A 105 107.472 -12.501 -22.769 1.00 0.00 O ATOM 1507 CB TYR A 105 107.759 -13.481 -19.649 1.00 0.00 C ATOM 1508 CG TYR A 105 107.263 -14.779 -20.317 1.00 0.00 C ATOM 1509 CD1 TYR A 105 107.952 -15.342 -21.374 1.00 0.00 C ATOM 1510 CD2 TYR A 105 106.113 -15.397 -19.865 1.00 0.00 C ATOM 1511 CE1 TYR A 105 107.496 -16.502 -21.967 1.00 0.00 C ATOM 1512 CE2 TYR A 105 105.659 -16.556 -20.459 1.00 0.00 C ATOM 1513 CZ TYR A 105 106.348 -17.116 -21.513 1.00 0.00 C ATOM 1514 OH TYR A 105 105.894 -18.276 -22.108 1.00 0.00 O ATOM 0 H TYR A 105 105.469 -12.868 -21.476 1.00 0.00 H new ATOM 0 HA TYR A 105 107.362 -11.349 -19.821 1.00 0.00 H new ATOM 0 HB2 TYR A 105 108.849 -13.456 -19.648 1.00 0.00 H new ATOM 0 HB3 TYR A 105 107.438 -13.453 -18.608 1.00 0.00 H new ATOM 0 HD1 TYR A 105 108.853 -14.871 -21.739 1.00 0.00 H new ATOM 0 HD2 TYR A 105 105.565 -14.969 -19.039 1.00 0.00 H new ATOM 0 HE1 TYR A 105 108.043 -16.932 -22.793 1.00 0.00 H new ATOM 0 HE2 TYR A 105 104.758 -17.028 -20.096 1.00 0.00 H new ATOM 0 HH TYR A 105 105.538 -18.070 -22.997 1.00 0.00 H new ATOM 1524 N GLY A 106 109.126 -11.559 -21.586 1.00 0.00 N ATOM 1525 CA GLY A 106 110.018 -11.323 -22.757 1.00 0.00 C ATOM 1526 C GLY A 106 111.076 -12.411 -22.879 1.00 0.00 C ATOM 1527 O GLY A 106 111.939 -12.544 -22.033 1.00 0.00 O ATOM 0 H GLY A 106 109.511 -11.252 -20.693 1.00 0.00 H new ATOM 0 HA2 GLY A 106 109.422 -11.289 -23.669 1.00 0.00 H new ATOM 0 HA3 GLY A 106 110.503 -10.352 -22.657 1.00 0.00 H new ATOM 1531 N ILE A 107 110.961 -13.155 -23.947 1.00 0.00 N ATOM 1532 CA ILE A 107 111.918 -14.264 -24.215 1.00 0.00 C ATOM 1533 C ILE A 107 113.239 -13.728 -24.815 1.00 0.00 C ATOM 1534 O ILE A 107 113.325 -13.493 -26.005 1.00 0.00 O ATOM 1535 CB ILE A 107 111.228 -15.266 -25.192 1.00 0.00 C ATOM 1536 CG1 ILE A 107 109.877 -15.740 -24.568 1.00 0.00 C ATOM 1537 CG2 ILE A 107 112.164 -16.488 -25.408 1.00 0.00 C ATOM 1538 CD1 ILE A 107 109.067 -16.587 -25.572 1.00 0.00 C ATOM 0 H ILE A 107 110.234 -13.038 -24.653 1.00 0.00 H new ATOM 0 HA ILE A 107 112.176 -14.766 -23.283 1.00 0.00 H new ATOM 0 HB ILE A 107 111.034 -14.783 -26.150 1.00 0.00 H new ATOM 0 HG12 ILE A 107 110.074 -16.325 -23.670 1.00 0.00 H new ATOM 0 HG13 ILE A 107 109.290 -14.874 -24.262 1.00 0.00 H new ATOM 0 HG21 ILE A 107 111.689 -17.194 -26.090 1.00 0.00 H new ATOM 0 HG22 ILE A 107 113.109 -16.152 -25.834 1.00 0.00 H new ATOM 0 HG23 ILE A 107 112.351 -16.977 -24.452 1.00 0.00 H new ATOM 0 HD11 ILE A 107 108.132 -16.903 -25.110 1.00 0.00 H new ATOM 0 HD12 ILE A 107 108.851 -15.992 -26.459 1.00 0.00 H new ATOM 0 HD13 ILE A 107 109.646 -17.466 -25.857 1.00 0.00 H new ATOM 1550 N CYS A 108 114.229 -13.548 -23.972 1.00 0.00 N ATOM 1551 CA CYS A 108 115.559 -13.041 -24.453 1.00 0.00 C ATOM 1552 C CYS A 108 116.337 -14.217 -25.087 1.00 0.00 C ATOM 1553 O CYS A 108 116.167 -15.344 -24.665 1.00 0.00 O ATOM 1554 CB CYS A 108 116.395 -12.468 -23.269 1.00 0.00 C ATOM 1555 SG CYS A 108 116.325 -10.717 -22.801 1.00 0.00 S ATOM 0 H CYS A 108 114.175 -13.730 -22.970 1.00 0.00 H new ATOM 0 HA CYS A 108 115.391 -12.247 -25.181 1.00 0.00 H new ATOM 0 HB2 CYS A 108 116.120 -13.041 -22.384 1.00 0.00 H new ATOM 0 HB3 CYS A 108 117.439 -12.694 -23.483 1.00 0.00 H new ATOM 1560 N PRO A 109 117.164 -13.937 -26.075 1.00 0.00 N ATOM 1561 CA PRO A 109 117.961 -14.986 -26.777 1.00 0.00 C ATOM 1562 C PRO A 109 118.985 -15.615 -25.820 1.00 0.00 C ATOM 1563 O PRO A 109 119.577 -14.930 -25.008 1.00 0.00 O ATOM 1564 CB PRO A 109 118.629 -14.283 -27.957 1.00 0.00 C ATOM 1565 CG PRO A 109 118.454 -12.771 -27.739 1.00 0.00 C ATOM 1566 CD PRO A 109 117.418 -12.569 -26.622 1.00 0.00 C ATOM 0 HA PRO A 109 117.338 -15.809 -27.127 1.00 0.00 H new ATOM 0 HB2 PRO A 109 119.686 -14.544 -28.013 1.00 0.00 H new ATOM 0 HB3 PRO A 109 118.173 -14.592 -28.898 1.00 0.00 H new ATOM 0 HG2 PRO A 109 119.404 -12.313 -27.465 1.00 0.00 H new ATOM 0 HG3 PRO A 109 118.122 -12.289 -28.659 1.00 0.00 H new ATOM 0 HD2 PRO A 109 117.796 -11.899 -25.850 1.00 0.00 H new ATOM 0 HD3 PRO A 109 116.502 -12.123 -27.010 1.00 0.00 H new ATOM 1574 N LEU A 110 119.155 -16.906 -25.953 1.00 0.00 N ATOM 1575 CA LEU A 110 120.120 -17.649 -25.089 1.00 0.00 C ATOM 1576 C LEU A 110 121.540 -17.447 -25.634 1.00 0.00 C ATOM 1577 O LEU A 110 121.862 -17.903 -26.715 1.00 0.00 O ATOM 1578 CB LEU A 110 119.767 -19.164 -25.090 1.00 0.00 C ATOM 1579 CG LEU A 110 118.423 -19.520 -24.364 1.00 0.00 C ATOM 1580 CD1 LEU A 110 118.457 -19.072 -22.884 1.00 0.00 C ATOM 1581 CD2 LEU A 110 117.188 -18.904 -25.064 1.00 0.00 C ATOM 0 H LEU A 110 118.659 -17.483 -26.632 1.00 0.00 H new ATOM 0 HA LEU A 110 120.063 -17.272 -24.068 1.00 0.00 H new ATOM 0 HB2 LEU A 110 119.710 -19.510 -26.122 1.00 0.00 H new ATOM 0 HB3 LEU A 110 120.579 -19.713 -24.614 1.00 0.00 H new ATOM 0 HG LEU A 110 118.327 -20.605 -24.413 1.00 0.00 H new ATOM 0 HD11 LEU A 110 117.513 -19.331 -22.404 1.00 0.00 H new ATOM 0 HD12 LEU A 110 119.276 -19.576 -22.370 1.00 0.00 H new ATOM 0 HD13 LEU A 110 118.606 -17.993 -22.834 1.00 0.00 H new ATOM 0 HD21 LEU A 110 116.285 -19.182 -24.520 1.00 0.00 H new ATOM 0 HD22 LEU A 110 117.282 -17.818 -25.080 1.00 0.00 H new ATOM 0 HD23 LEU A 110 117.125 -19.277 -26.086 1.00 0.00 H new ATOM 1593 N ALA A 111 122.345 -16.763 -24.860 1.00 0.00 N ATOM 1594 CA ALA A 111 123.759 -16.491 -25.268 1.00 0.00 C ATOM 1595 C ALA A 111 124.567 -17.800 -25.397 1.00 0.00 C ATOM 1596 O ALA A 111 125.344 -17.866 -26.335 1.00 0.00 O ATOM 1597 CB ALA A 111 124.406 -15.578 -24.217 1.00 0.00 C ATOM 1598 OXT ALA A 111 124.360 -18.658 -24.553 1.00 0.00 O ATOM 0 H ALA A 111 122.081 -16.377 -23.953 1.00 0.00 H new ATOM 0 HA ALA A 111 123.759 -16.005 -26.244 1.00 0.00 H new ATOM 0 HB1 ALA A 111 125.438 -15.371 -24.501 1.00 0.00 H new ATOM 0 HB2 ALA A 111 123.851 -14.642 -24.157 1.00 0.00 H new ATOM 0 HB3 ALA A 111 124.389 -16.072 -23.246 1.00 0.00 H new TER 1604 ALA A 111