USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 810 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 53 THR OG1 : rot 78:sc= 0.00801 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.855) USER MOD Set 2.1: A 27 ASN : amide:sc= -1.37 K(o=-2.9,f=-0.67) USER MOD Set 2.2: A 59 ASN : amide:sc= -1.52 K(o=-2.9,f=-0.67) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.34) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -116:sc= -1.2 (180deg=-4.58!) USER MOD Single : A 33 TYR OH : rot -114:sc= 1.13 USER MOD Single : A 37 CYS SG : rot 110:sc= -0.403 USER MOD Single : A 39 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.055) USER MOD Single : A 40 CYS SG : rot -160:sc= -0.199 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= -0.0395 (180deg=-0.41) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.578 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -9.69! C(o=-9.7!,f=-14!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -150:sc= -0.127 (180deg=-1.8) USER MOD Single : A 67 SER OG : rot -38:sc= 0 USER MOD Single : A 68 THR OG1 : rot 110:sc= -1.77 USER MOD Single : A 70 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=-0.43) USER MOD Single : A 79 SER OG : rot 50:sc= 1.22 USER MOD Single : A 82 THR OG1 : rot 105:sc= 1.13 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 24:sc= 0.0945 USER MOD Single : A 97 TYR OH : rot -87:sc= 1.41 USER MOD Single : A 98 ASN : amide:sc= 0.105 X(o=0.1,f=0) USER MOD Single : A 102 THR OG1 : rot -155:sc= 1.28 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 83:sc= 0.758 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -4.973 -13.112 -2.668 1.00 0.00 N ATOM 67 CA PRO A 8 -3.792 -12.845 -1.841 1.00 0.00 C ATOM 68 C PRO A 8 -3.976 -11.626 -0.944 1.00 0.00 C ATOM 69 O PRO A 8 -3.744 -11.690 0.263 1.00 0.00 O ATOM 70 CB PRO A 8 -2.688 -12.590 -2.870 1.00 0.00 C ATOM 71 CG PRO A 8 -3.407 -12.117 -4.087 1.00 0.00 C ATOM 72 CD PRO A 8 -4.727 -12.835 -4.094 1.00 0.00 C ATOM 0 HA PRO A 8 -3.577 -13.669 -1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.979 -11.843 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.119 -13.497 -3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.551 -11.037 -4.060 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.837 -12.340 -4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.517 -12.220 -4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.682 -13.753 -4.680 1.00 0.00 H new ATOM 80 N VAL A 9 -4.395 -10.515 -1.542 1.00 0.00 N ATOM 81 CA VAL A 9 -4.612 -9.281 -0.796 1.00 0.00 C ATOM 82 C VAL A 9 -6.081 -8.877 -0.817 1.00 0.00 C ATOM 83 O VAL A 9 -6.739 -8.939 -1.856 1.00 0.00 O ATOM 84 CB VAL A 9 -3.765 -8.126 -1.364 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.652 -8.240 -2.876 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.360 -6.784 -0.965 1.00 0.00 C ATOM 0 H VAL A 9 -4.591 -10.444 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.307 -9.475 0.232 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.762 -8.193 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.050 -7.416 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.178 -9.187 -3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.647 -8.200 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.749 -5.979 -1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.374 -6.705 -1.356 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.383 -6.705 0.122 1.00 0.00 H new ATOM 96 N LYS A 10 -6.592 -8.462 0.338 1.00 0.00 N ATOM 97 CA LYS A 10 -7.985 -8.046 0.453 1.00 0.00 C ATOM 98 C LYS A 10 -8.220 -6.725 -0.272 1.00 0.00 C ATOM 99 O LYS A 10 -7.330 -5.877 -0.343 1.00 0.00 O ATOM 100 CB LYS A 10 -8.376 -7.908 1.926 1.00 0.00 C ATOM 101 CG LYS A 10 -9.804 -8.334 2.219 1.00 0.00 C ATOM 102 CD LYS A 10 -10.778 -7.181 2.044 1.00 0.00 C ATOM 103 CE LYS A 10 -12.202 -7.678 1.854 1.00 0.00 C ATOM 104 NZ LYS A 10 -12.717 -8.365 3.071 1.00 0.00 N ATOM 0 H LYS A 10 -6.062 -8.405 1.208 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.607 -8.811 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.696 -8.507 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.245 -6.870 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.084 -9.152 1.555 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.869 -8.715 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.732 -6.529 2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.483 -6.582 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.851 -6.837 1.610 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.237 -8.364 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.691 -8.689 2.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -12.113 -9.183 3.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.707 -7.703 3.873 1.00 0.00 H new ATOM 118 N VAL A 11 -9.423 -6.556 -0.810 1.00 0.00 N ATOM 119 CA VAL A 11 -9.776 -5.337 -1.528 1.00 0.00 C ATOM 120 C VAL A 11 -10.828 -4.537 -0.768 1.00 0.00 C ATOM 121 O VAL A 11 -11.983 -4.950 -0.664 1.00 0.00 O ATOM 122 CB VAL A 11 -10.306 -5.651 -2.939 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.683 -4.368 -3.665 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.274 -6.438 -3.733 1.00 0.00 C ATOM 0 H VAL A 11 -10.170 -7.248 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.865 -4.745 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.202 -6.264 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.055 -4.609 -4.661 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.459 -3.847 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.805 -3.727 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.665 -6.651 -4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.359 -5.853 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.057 -7.375 -3.220 1.00 0.00 H new ATOM 134 N LEU A 12 -10.421 -3.388 -0.239 1.00 0.00 N ATOM 135 CA LEU A 12 -11.329 -2.528 0.512 1.00 0.00 C ATOM 136 C LEU A 12 -12.031 -1.539 -0.413 1.00 0.00 C ATOM 137 O LEU A 12 -11.487 -1.143 -1.444 1.00 0.00 O ATOM 138 CB LEU A 12 -10.564 -1.771 1.600 1.00 0.00 C ATOM 139 CG LEU A 12 -9.651 -2.616 2.489 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.627 -1.738 3.191 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.472 -3.398 3.505 1.00 0.00 C ATOM 0 H LEU A 12 -9.469 -3.031 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.084 -3.159 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.960 -1.000 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.287 -1.261 2.237 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.117 -3.327 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.986 -2.357 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.018 -1.223 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.141 -1.003 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.806 -3.994 4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.033 -2.704 4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.166 -4.057 2.983 1.00 0.00 H new ATOM 153 N VAL A 13 -13.242 -1.141 -0.036 1.00 0.00 N ATOM 154 CA VAL A 13 -14.018 -0.195 -0.829 1.00 0.00 C ATOM 155 C VAL A 13 -14.484 0.982 0.020 1.00 0.00 C ATOM 156 O VAL A 13 -14.470 0.919 1.248 1.00 0.00 O ATOM 157 CB VAL A 13 -15.246 -0.872 -1.467 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.818 -1.808 -2.587 1.00 0.00 C ATOM 159 CG2 VAL A 13 -16.048 -1.621 -0.413 1.00 0.00 C ATOM 0 H VAL A 13 -13.707 -1.459 0.814 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.361 0.169 -1.619 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.884 -0.099 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.699 -2.277 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.289 -1.241 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.159 -2.578 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.912 -2.093 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.421 -2.385 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.386 -0.922 0.352 1.00 0.00 H new ATOM 169 N GLY A 14 -14.898 2.057 -0.645 1.00 0.00 N ATOM 170 CA GLY A 14 -15.363 3.234 0.065 1.00 0.00 C ATOM 171 C GLY A 14 -16.697 3.009 0.749 1.00 0.00 C ATOM 172 O GLY A 14 -17.242 3.917 1.377 1.00 0.00 O ATOM 0 H GLY A 14 -14.919 2.133 -1.662 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.621 3.523 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.453 4.065 -0.635 1.00 0.00 H new ATOM 176 N LYS A 15 -17.226 1.797 0.627 1.00 0.00 N ATOM 177 CA LYS A 15 -18.505 1.454 1.237 1.00 0.00 C ATOM 178 C LYS A 15 -18.301 0.843 2.620 1.00 0.00 C ATOM 179 O LYS A 15 -18.961 1.230 3.583 1.00 0.00 O ATOM 180 CB LYS A 15 -19.274 0.478 0.345 1.00 0.00 C ATOM 181 CG LYS A 15 -20.731 0.309 0.741 1.00 0.00 C ATOM 182 CD LYS A 15 -21.603 1.394 0.133 1.00 0.00 C ATOM 183 CE LYS A 15 -21.853 1.145 -1.346 1.00 0.00 C ATOM 184 NZ LYS A 15 -22.304 2.378 -2.048 1.00 0.00 N ATOM 0 H LYS A 15 -16.788 1.034 0.110 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.085 2.371 1.345 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.225 0.826 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.783 -0.494 0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -21.086 -0.669 0.416 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -20.819 0.336 1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -22.555 1.436 0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -21.123 2.364 0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.939 0.776 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -22.606 0.366 -1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.464 2.166 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.190 2.716 -1.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.574 3.114 -1.961 1.00 0.00 H new ATOM 198 N ASN A 16 -17.382 -0.113 2.710 1.00 0.00 N ATOM 199 CA ASN A 16 -17.091 -0.777 3.975 1.00 0.00 C ATOM 200 C ASN A 16 -15.596 -0.741 4.277 1.00 0.00 C ATOM 201 O ASN A 16 -15.069 -1.618 4.962 1.00 0.00 O ATOM 202 CB ASN A 16 -17.581 -2.226 3.939 1.00 0.00 C ATOM 203 CG ASN A 16 -16.964 -3.017 2.802 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.638 -3.353 1.828 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.676 -3.318 2.920 1.00 0.00 N ATOM 0 H ASN A 16 -16.826 -0.445 1.922 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.616 -0.243 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.343 -2.711 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.666 -2.237 3.839 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.207 -3.848 2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.156 -3.019 3.745 1.00 0.00 H new ATOM 212 N PHE A 17 -14.918 0.279 3.762 1.00 0.00 N ATOM 213 CA PHE A 17 -13.483 0.430 3.976 1.00 0.00 C ATOM 214 C PHE A 17 -13.141 0.328 5.459 1.00 0.00 C ATOM 215 O PHE A 17 -12.485 -0.619 5.891 1.00 0.00 O ATOM 216 CB PHE A 17 -13.002 1.772 3.421 1.00 0.00 C ATOM 217 CG PHE A 17 -11.805 2.324 4.142 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.618 1.612 4.187 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.868 3.556 4.773 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.516 2.118 4.850 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.769 4.067 5.438 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.591 3.347 5.475 1.00 0.00 C ATOM 0 H PHE A 17 -15.339 1.014 3.193 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.975 -0.377 3.448 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.758 1.653 2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.817 2.494 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.553 0.651 3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.786 4.124 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.596 1.552 4.879 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.831 5.028 5.928 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.730 3.745 5.992 1.00 0.00 H new ATOM 232 N GLU A 18 -13.590 1.311 6.233 1.00 0.00 N ATOM 233 CA GLU A 18 -13.330 1.333 7.668 1.00 0.00 C ATOM 234 C GLU A 18 -13.887 0.081 8.341 1.00 0.00 C ATOM 235 O GLU A 18 -13.328 -0.411 9.320 1.00 0.00 O ATOM 236 CB GLU A 18 -13.945 2.582 8.301 1.00 0.00 C ATOM 237 CG GLU A 18 -13.493 3.879 7.652 1.00 0.00 C ATOM 238 CD GLU A 18 -14.335 5.068 8.074 1.00 0.00 C ATOM 239 OE1 GLU A 18 -14.685 5.153 9.269 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.643 5.913 7.208 1.00 0.00 O ATOM 0 H GLU A 18 -14.135 2.102 5.891 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.250 1.354 7.816 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.031 2.514 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.688 2.607 9.360 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.451 4.066 7.911 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.538 3.773 6.568 1.00 0.00 H new ATOM 247 N ASP A 19 -14.993 -0.426 7.808 1.00 0.00 N ATOM 248 CA ASP A 19 -15.627 -1.620 8.356 1.00 0.00 C ATOM 249 C ASP A 19 -14.656 -2.797 8.361 1.00 0.00 C ATOM 250 O ASP A 19 -14.664 -3.618 9.278 1.00 0.00 O ATOM 251 CB ASP A 19 -16.876 -1.977 7.548 1.00 0.00 C ATOM 252 CG ASP A 19 -17.935 -2.661 8.391 1.00 0.00 C ATOM 253 OD1 ASP A 19 -18.064 -2.309 9.582 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.633 -3.550 7.859 1.00 0.00 O ATOM 0 H ASP A 19 -15.469 -0.029 6.998 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.918 -1.407 9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.294 -1.070 7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.596 -2.630 6.721 1.00 0.00 H new ATOM 259 N VAL A 20 -13.822 -2.874 7.329 1.00 0.00 N ATOM 260 CA VAL A 20 -12.845 -3.950 7.214 1.00 0.00 C ATOM 261 C VAL A 20 -11.462 -3.486 7.654 1.00 0.00 C ATOM 262 O VAL A 20 -10.879 -4.036 8.588 1.00 0.00 O ATOM 263 CB VAL A 20 -12.762 -4.481 5.770 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.521 -5.341 5.588 1.00 0.00 C ATOM 265 CG2 VAL A 20 -14.018 -5.261 5.416 1.00 0.00 C ATOM 0 H VAL A 20 -13.803 -2.204 6.560 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.180 -4.754 7.870 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.688 -3.630 5.092 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.479 -5.707 4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.632 -4.746 5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.561 -6.187 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.942 -5.628 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.126 -6.105 6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.888 -4.610 5.504 1.00 0.00 H new ATOM 275 N ALA A 21 -10.941 -2.469 6.974 1.00 0.00 N ATOM 276 CA ALA A 21 -9.626 -1.928 7.297 1.00 0.00 C ATOM 277 C ALA A 21 -9.487 -1.679 8.795 1.00 0.00 C ATOM 278 O ALA A 21 -8.665 -2.303 9.465 1.00 0.00 O ATOM 279 CB ALA A 21 -9.379 -0.643 6.520 1.00 0.00 C ATOM 0 H ALA A 21 -11.409 -2.004 6.197 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.876 -2.664 7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.394 -0.250 6.771 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.426 -0.850 5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.140 0.092 6.781 1.00 0.00 H new ATOM 285 N PHE A 22 -10.296 -0.761 9.314 1.00 0.00 N ATOM 286 CA PHE A 22 -10.263 -0.428 10.733 1.00 0.00 C ATOM 287 C PHE A 22 -10.857 -1.556 11.572 1.00 0.00 C ATOM 288 O PHE A 22 -12.025 -1.507 11.958 1.00 0.00 O ATOM 289 CB PHE A 22 -11.027 0.872 10.992 1.00 0.00 C ATOM 290 CG PHE A 22 -10.195 2.107 10.792 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.957 2.230 11.402 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.651 3.143 9.994 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.191 3.366 11.220 1.00 0.00 C ATOM 294 CE2 PHE A 22 -9.888 4.281 9.808 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.656 4.392 10.421 1.00 0.00 C ATOM 0 H PHE A 22 -10.982 -0.235 8.773 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.221 -0.293 11.024 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.891 0.914 10.329 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.409 0.862 12.013 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.587 1.430 12.026 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.614 3.061 9.511 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.229 3.451 11.703 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.255 5.082 9.184 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.057 5.279 10.276 1.00 0.00 H new ATOM 305 N ASP A 23 -10.045 -2.570 11.848 1.00 0.00 N ATOM 306 CA ASP A 23 -10.489 -3.711 12.640 1.00 0.00 C ATOM 307 C ASP A 23 -9.640 -3.861 13.899 1.00 0.00 C ATOM 308 O ASP A 23 -8.433 -4.084 13.821 1.00 0.00 O ATOM 309 CB ASP A 23 -10.422 -4.993 11.809 1.00 0.00 C ATOM 310 CG ASP A 23 -11.698 -5.245 11.029 1.00 0.00 C ATOM 311 OD1 ASP A 23 -12.448 -4.275 10.792 1.00 0.00 O ATOM 312 OD2 ASP A 23 -11.946 -6.411 10.657 1.00 0.00 O ATOM 0 H ASP A 23 -9.076 -2.625 11.535 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.522 -3.535 12.939 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.583 -4.930 11.116 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.229 -5.840 12.468 1.00 0.00 H new ATOM 317 N GLU A 24 -10.281 -3.737 15.057 1.00 0.00 N ATOM 318 CA GLU A 24 -9.584 -3.857 16.332 1.00 0.00 C ATOM 319 C GLU A 24 -8.997 -5.256 16.501 1.00 0.00 C ATOM 320 O GLU A 24 -9.498 -6.225 15.931 1.00 0.00 O ATOM 321 CB GLU A 24 -10.535 -3.548 17.490 1.00 0.00 C ATOM 322 CG GLU A 24 -11.380 -4.736 17.918 1.00 0.00 C ATOM 323 CD GLU A 24 -12.724 -4.322 18.484 1.00 0.00 C ATOM 324 OE1 GLU A 24 -13.502 -3.672 17.755 1.00 0.00 O ATOM 325 OE2 GLU A 24 -12.999 -4.648 19.658 1.00 0.00 O ATOM 0 H GLU A 24 -11.281 -3.554 15.138 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.767 -3.135 16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.953 -3.200 18.344 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.194 -2.730 17.199 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.537 -5.393 17.062 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.837 -5.313 18.667 1.00 0.00 H new ATOM 332 N LYS A 25 -7.931 -5.352 17.289 1.00 0.00 N ATOM 333 CA LYS A 25 -7.275 -6.630 17.536 1.00 0.00 C ATOM 334 C LYS A 25 -6.816 -7.268 16.228 1.00 0.00 C ATOM 335 O LYS A 25 -6.764 -8.492 16.106 1.00 0.00 O ATOM 336 CB LYS A 25 -8.222 -7.580 18.273 1.00 0.00 C ATOM 337 CG LYS A 25 -8.702 -7.042 19.610 1.00 0.00 C ATOM 338 CD LYS A 25 -7.692 -7.309 20.714 1.00 0.00 C ATOM 339 CE LYS A 25 -7.927 -6.407 21.915 1.00 0.00 C ATOM 340 NZ LYS A 25 -7.094 -6.808 23.082 1.00 0.00 N ATOM 0 H LYS A 25 -7.503 -4.559 17.767 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.399 -6.445 18.158 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.086 -7.782 17.640 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.716 -8.532 18.434 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.879 -5.970 19.529 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.655 -7.504 19.868 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.757 -8.352 21.023 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.683 -7.152 20.332 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.700 -5.376 21.644 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.981 -6.439 22.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.284 -6.168 23.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.328 -7.783 23.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.088 -6.753 22.826 1.00 0.00 H new ATOM 354 N LYS A 26 -6.483 -6.430 15.252 1.00 0.00 N ATOM 355 CA LYS A 26 -6.025 -6.911 13.954 1.00 0.00 C ATOM 356 C LYS A 26 -5.180 -5.854 13.249 1.00 0.00 C ATOM 357 O LYS A 26 -5.615 -4.718 13.066 1.00 0.00 O ATOM 358 CB LYS A 26 -7.221 -7.290 13.077 1.00 0.00 C ATOM 359 CG LYS A 26 -6.862 -7.497 11.616 1.00 0.00 C ATOM 360 CD LYS A 26 -6.190 -8.841 11.392 1.00 0.00 C ATOM 361 CE LYS A 26 -7.059 -9.988 11.884 1.00 0.00 C ATOM 362 NZ LYS A 26 -6.781 -10.324 13.307 1.00 0.00 N ATOM 0 H LYS A 26 -6.522 -5.414 15.335 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.408 -7.794 14.119 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.670 -8.204 13.465 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.977 -6.508 13.150 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.763 -7.434 11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.198 -6.698 11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.980 -8.972 10.330 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.232 -8.861 11.911 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.110 -9.721 11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.886 -10.867 11.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.398 -11.289 13.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.088 -9.651 13.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.663 -10.267 13.856 1.00 0.00 H new ATOM 376 N ASN A 27 -3.969 -6.237 12.856 1.00 0.00 N ATOM 377 CA ASN A 27 -3.063 -5.323 12.171 1.00 0.00 C ATOM 378 C ASN A 27 -3.274 -5.378 10.661 1.00 0.00 C ATOM 379 O ASN A 27 -2.705 -6.226 9.974 1.00 0.00 O ATOM 380 CB ASN A 27 -1.610 -5.664 12.507 1.00 0.00 C ATOM 381 CG ASN A 27 -1.387 -5.839 13.997 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.190 -4.865 14.724 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.417 -7.084 14.457 1.00 0.00 N ATOM 0 H ASN A 27 -3.593 -7.174 13.000 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.280 -4.311 12.514 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.326 -6.580 11.990 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -0.959 -4.873 12.135 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.273 -7.264 15.451 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.584 -7.860 13.817 1.00 0.00 H new ATOM 390 N VAL A 28 -4.096 -4.466 10.150 1.00 0.00 N ATOM 391 CA VAL A 28 -4.381 -4.409 8.721 1.00 0.00 C ATOM 392 C VAL A 28 -3.546 -3.333 8.037 1.00 0.00 C ATOM 393 O VAL A 28 -3.544 -2.174 8.453 1.00 0.00 O ATOM 394 CB VAL A 28 -5.873 -4.130 8.457 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.151 -4.084 6.963 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.739 -5.180 9.137 1.00 0.00 C ATOM 0 H VAL A 28 -4.576 -3.757 10.704 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.122 -5.384 8.307 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.123 -3.157 8.879 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.210 -3.886 6.796 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.557 -3.292 6.507 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.886 -5.041 6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.790 -4.968 8.940 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.489 -6.166 8.747 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.560 -5.159 10.212 1.00 0.00 H new ATOM 406 N PHE A 29 -2.836 -3.723 6.983 1.00 0.00 N ATOM 407 CA PHE A 29 -1.995 -2.792 6.240 1.00 0.00 C ATOM 408 C PHE A 29 -2.624 -2.448 4.893 1.00 0.00 C ATOM 409 O PHE A 29 -2.525 -3.216 3.935 1.00 0.00 O ATOM 410 CB PHE A 29 -0.602 -3.388 6.028 1.00 0.00 C ATOM 411 CG PHE A 29 0.364 -2.438 5.380 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.094 -1.079 5.333 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.542 -2.903 4.818 1.00 0.00 C ATOM 414 CE1 PHE A 29 0.981 -0.202 4.738 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.433 -2.030 4.221 1.00 0.00 C ATOM 416 CZ PHE A 29 2.152 -0.679 4.180 1.00 0.00 C ATOM 0 H PHE A 29 -2.827 -4.678 6.624 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.905 -1.876 6.824 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.200 -3.702 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.688 -4.283 5.411 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.820 -0.701 5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.767 -3.959 4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.759 0.855 4.709 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.348 -2.405 3.787 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.846 0.004 3.713 1.00 0.00 H new ATOM 426 N VAL A 30 -3.270 -1.289 4.827 1.00 0.00 N ATOM 427 CA VAL A 30 -3.915 -0.842 3.598 1.00 0.00 C ATOM 428 C VAL A 30 -2.910 -0.184 2.658 1.00 0.00 C ATOM 429 O VAL A 30 -1.835 0.238 3.082 1.00 0.00 O ATOM 430 CB VAL A 30 -5.054 0.152 3.891 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.880 0.402 2.638 1.00 0.00 C ATOM 432 CG2 VAL A 30 -5.931 -0.362 5.023 1.00 0.00 C ATOM 0 H VAL A 30 -3.361 -0.642 5.610 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.331 -1.728 3.119 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.615 1.100 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.680 1.107 2.864 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.241 0.816 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.311 -0.538 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.731 0.353 5.217 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.363 -1.322 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.328 -0.485 5.923 1.00 0.00 H new ATOM 442 N GLU A 31 -3.270 -0.098 1.381 1.00 0.00 N ATOM 443 CA GLU A 31 -2.399 0.509 0.382 1.00 0.00 C ATOM 444 C GLU A 31 -3.205 1.356 -0.599 1.00 0.00 C ATOM 445 O GLU A 31 -3.892 0.828 -1.474 1.00 0.00 O ATOM 446 CB GLU A 31 -1.625 -0.571 -0.376 1.00 0.00 C ATOM 447 CG GLU A 31 -1.106 -0.112 -1.729 1.00 0.00 C ATOM 448 CD GLU A 31 -0.525 -1.249 -2.547 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.292 -1.897 -3.289 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.696 -1.491 -2.445 1.00 0.00 O ATOM 0 H GLU A 31 -4.158 -0.441 1.015 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.691 1.157 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.784 -0.899 0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.272 -1.437 -0.519 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.919 0.354 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.342 0.652 -1.581 1.00 0.00 H new ATOM 457 N PHE A 32 -3.115 2.673 -0.446 1.00 0.00 N ATOM 458 CA PHE A 32 -3.836 3.594 -1.317 1.00 0.00 C ATOM 459 C PHE A 32 -3.062 3.841 -2.608 1.00 0.00 C ATOM 460 O PHE A 32 -2.143 4.660 -2.647 1.00 0.00 O ATOM 461 CB PHE A 32 -4.085 4.921 -0.596 1.00 0.00 C ATOM 462 CG PHE A 32 -4.944 4.786 0.628 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.325 4.763 0.523 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.370 4.684 1.885 1.00 0.00 C ATOM 465 CE1 PHE A 32 -7.118 4.638 1.648 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.158 4.560 3.014 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.534 4.538 2.895 1.00 0.00 C ATOM 0 H PHE A 32 -2.550 3.126 0.272 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.794 3.140 -1.570 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.127 5.356 -0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.559 5.618 -1.288 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.788 4.844 -0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.295 4.702 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.194 4.619 1.552 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.698 4.480 3.988 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.152 4.443 3.776 1.00 0.00 H new ATOM 477 N TYR A 33 -3.439 3.127 -3.663 1.00 0.00 N ATOM 478 CA TYR A 33 -2.779 3.266 -4.956 1.00 0.00 C ATOM 479 C TYR A 33 -3.661 4.029 -5.939 1.00 0.00 C ATOM 480 O TYR A 33 -4.818 4.332 -5.646 1.00 0.00 O ATOM 481 CB TYR A 33 -2.434 1.889 -5.526 1.00 0.00 C ATOM 482 CG TYR A 33 -3.647 1.068 -5.902 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.341 1.318 -7.079 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.097 0.042 -5.081 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.450 0.571 -7.426 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.204 -0.711 -5.421 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.878 -0.442 -6.594 1.00 0.00 C ATOM 488 OH TYR A 33 -6.981 -1.190 -6.938 1.00 0.00 O ATOM 0 H TYR A 33 -4.198 2.446 -3.648 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.859 3.832 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.805 2.017 -6.407 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.846 1.338 -4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.008 2.110 -7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.572 -0.171 -4.161 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.979 0.779 -8.344 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.540 -1.506 -4.772 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.705 -1.018 -6.300 1.00 0.00 H new ATOM 498 N ALA A 34 -3.106 4.336 -7.107 1.00 0.00 N ATOM 499 CA ALA A 34 -3.842 5.061 -8.135 1.00 0.00 C ATOM 500 C ALA A 34 -3.787 4.327 -9.470 1.00 0.00 C ATOM 501 O ALA A 34 -2.736 3.855 -9.904 1.00 0.00 O ATOM 502 CB ALA A 34 -3.290 6.471 -8.283 1.00 0.00 C ATOM 0 H ALA A 34 -2.149 4.094 -7.365 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.886 5.121 -7.826 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.849 7.001 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.387 7.001 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.238 6.422 -8.566 1.00 0.00 H new ATOM 508 N PRO A 35 -4.945 4.225 -10.139 1.00 0.00 N ATOM 509 CA PRO A 35 -5.055 3.549 -11.434 1.00 0.00 C ATOM 510 C PRO A 35 -4.365 4.322 -12.552 1.00 0.00 C ATOM 511 O PRO A 35 -4.291 3.855 -13.689 1.00 0.00 O ATOM 512 CB PRO A 35 -6.565 3.491 -11.678 1.00 0.00 C ATOM 513 CG PRO A 35 -7.119 4.629 -10.891 1.00 0.00 C ATOM 514 CD PRO A 35 -6.237 4.764 -9.681 1.00 0.00 C ATOM 0 HA PRO A 35 -4.573 2.571 -11.425 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.799 3.591 -12.738 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.983 2.540 -11.348 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.118 5.547 -11.479 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.152 4.437 -10.601 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.149 5.802 -9.362 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.629 4.202 -8.833 1.00 0.00 H new ATOM 522 N TRP A 36 -3.861 5.506 -12.223 1.00 0.00 N ATOM 523 CA TRP A 36 -3.175 6.344 -13.200 1.00 0.00 C ATOM 524 C TRP A 36 -1.749 6.647 -12.753 1.00 0.00 C ATOM 525 O TRP A 36 -0.935 7.138 -13.535 1.00 0.00 O ATOM 526 CB TRP A 36 -3.945 7.648 -13.413 1.00 0.00 C ATOM 527 CG TRP A 36 -4.685 8.107 -12.193 1.00 0.00 C ATOM 528 CD1 TRP A 36 -6.002 7.890 -11.904 1.00 0.00 C ATOM 529 CD2 TRP A 36 -4.152 8.861 -11.100 1.00 0.00 C ATOM 530 NE1 TRP A 36 -6.320 8.464 -10.697 1.00 0.00 N ATOM 531 CE2 TRP A 36 -5.201 9.066 -10.183 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.889 9.383 -10.805 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -5.025 9.770 -8.995 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.716 10.081 -9.625 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.779 10.269 -8.732 1.00 0.00 C ATOM 0 H TRP A 36 -3.914 5.908 -11.287 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.131 5.798 -14.143 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.248 8.427 -13.721 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.654 7.514 -14.230 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.692 7.347 -12.532 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.239 8.445 -10.255 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.063 9.243 -11.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.843 9.917 -8.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.745 10.489 -9.387 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.611 10.819 -7.818 1.00 0.00 H new ATOM 546 N CYS A 37 -1.454 6.352 -11.492 1.00 0.00 N ATOM 547 CA CYS A 37 -0.126 6.594 -10.941 1.00 0.00 C ATOM 548 C CYS A 37 0.878 5.577 -11.474 1.00 0.00 C ATOM 549 O CYS A 37 0.601 4.379 -11.515 1.00 0.00 O ATOM 550 CB CYS A 37 -0.166 6.536 -9.413 1.00 0.00 C ATOM 551 SG CYS A 37 1.424 6.867 -8.619 1.00 0.00 S ATOM 0 H CYS A 37 -2.117 5.945 -10.832 1.00 0.00 H new ATOM 0 HA CYS A 37 0.193 7.589 -11.251 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.898 7.259 -9.052 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.514 5.550 -9.107 1.00 0.00 H new ATOM 0 HG CYS A 37 1.377 8.019 -8.018 1.00 0.00 H new ATOM 557 N GLY A 38 2.045 6.064 -11.884 1.00 0.00 N ATOM 558 CA GLY A 38 3.072 5.185 -12.412 1.00 0.00 C ATOM 559 C GLY A 38 3.647 4.264 -11.353 1.00 0.00 C ATOM 560 O GLY A 38 3.440 3.051 -11.397 1.00 0.00 O ATOM 0 H GLY A 38 2.298 7.052 -11.860 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.653 4.587 -13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.874 5.785 -12.842 1.00 0.00 H new ATOM 564 N HIS A 39 4.372 4.841 -10.400 1.00 0.00 N ATOM 565 CA HIS A 39 4.980 4.064 -9.326 1.00 0.00 C ATOM 566 C HIS A 39 4.026 2.981 -8.832 1.00 0.00 C ATOM 567 O HIS A 39 4.457 1.942 -8.330 1.00 0.00 O ATOM 568 CB HIS A 39 5.376 4.979 -8.167 1.00 0.00 C ATOM 569 CG HIS A 39 6.538 4.469 -7.372 1.00 0.00 C ATOM 570 ND1 HIS A 39 6.756 4.811 -6.054 1.00 0.00 N ATOM 571 CD2 HIS A 39 7.548 3.636 -7.715 1.00 0.00 C ATOM 572 CE1 HIS A 39 7.851 4.212 -5.621 1.00 0.00 C ATOM 573 NE2 HIS A 39 8.351 3.492 -6.610 1.00 0.00 N ATOM 0 H HIS A 39 4.553 5.844 -10.350 1.00 0.00 H new ATOM 0 HA HIS A 39 5.875 3.583 -9.721 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.621 5.965 -8.561 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.520 5.104 -7.504 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.695 3.171 -8.679 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.267 4.296 -4.628 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.196 2.922 -6.561 1.00 0.00 H new ATOM 582 N CYS A 40 2.729 3.231 -8.977 1.00 0.00 N ATOM 583 CA CYS A 40 1.713 2.278 -8.544 1.00 0.00 C ATOM 584 C CYS A 40 1.774 1.002 -9.378 1.00 0.00 C ATOM 585 O CYS A 40 1.812 -0.104 -8.839 1.00 0.00 O ATOM 586 CB CYS A 40 0.321 2.903 -8.646 1.00 0.00 C ATOM 587 SG CYS A 40 -1.014 1.701 -8.849 1.00 0.00 S ATOM 0 H CYS A 40 2.356 4.085 -9.391 1.00 0.00 H new ATOM 0 HA CYS A 40 1.912 2.020 -7.504 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.132 3.492 -7.748 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.305 3.593 -9.489 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.063 2.295 -9.336 1.00 0.00 H new ATOM 593 N LYS A 41 1.781 1.164 -10.697 1.00 0.00 N ATOM 594 CA LYS A 41 1.836 0.026 -11.607 1.00 0.00 C ATOM 595 C LYS A 41 2.925 -0.955 -11.186 1.00 0.00 C ATOM 596 O LYS A 41 2.872 -2.137 -11.524 1.00 0.00 O ATOM 597 CB LYS A 41 2.090 0.504 -13.038 1.00 0.00 C ATOM 598 CG LYS A 41 0.840 1.001 -13.745 1.00 0.00 C ATOM 599 CD LYS A 41 1.185 1.844 -14.960 1.00 0.00 C ATOM 600 CE LYS A 41 0.000 2.686 -15.409 1.00 0.00 C ATOM 601 NZ LYS A 41 0.429 3.868 -16.207 1.00 0.00 N ATOM 0 H LYS A 41 1.749 2.073 -11.160 1.00 0.00 H new ATOM 0 HA LYS A 41 0.875 -0.487 -11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.829 1.305 -13.019 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.522 -0.314 -13.614 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.232 0.150 -14.052 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.238 1.589 -13.052 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.027 2.495 -14.725 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.502 1.195 -15.776 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.677 2.072 -16.004 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.559 3.021 -14.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.407 4.415 -16.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.054 4.467 -15.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.940 3.548 -17.054 1.00 0.00 H new ATOM 615 N GLN A 42 3.911 -0.457 -10.447 1.00 0.00 N ATOM 616 CA GLN A 42 5.012 -1.291 -9.980 1.00 0.00 C ATOM 617 C GLN A 42 4.702 -1.884 -8.609 1.00 0.00 C ATOM 618 O GLN A 42 5.226 -2.937 -8.244 1.00 0.00 O ATOM 619 CB GLN A 42 6.305 -0.476 -9.916 1.00 0.00 C ATOM 620 CG GLN A 42 6.875 -0.131 -11.283 1.00 0.00 C ATOM 621 CD GLN A 42 7.736 -1.241 -11.853 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.766 -1.599 -11.280 1.00 0.00 O ATOM 623 NE2 GLN A 42 7.319 -1.791 -12.987 1.00 0.00 N ATOM 0 H GLN A 42 3.970 0.520 -10.159 1.00 0.00 H new ATOM 0 HA GLN A 42 5.141 -2.109 -10.689 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.116 0.446 -9.367 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.050 -1.036 -9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.056 0.079 -11.971 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.468 0.780 -11.206 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.459 -1.463 -13.427 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.858 -2.542 -13.418 1.00 0.00 H new ATOM 632 N LEU A 43 3.849 -1.201 -7.854 1.00 0.00 N ATOM 633 CA LEU A 43 3.470 -1.660 -6.522 1.00 0.00 C ATOM 634 C LEU A 43 2.382 -2.727 -6.603 1.00 0.00 C ATOM 635 O LEU A 43 2.148 -3.462 -5.645 1.00 0.00 O ATOM 636 CB LEU A 43 2.983 -0.483 -5.675 1.00 0.00 C ATOM 637 CG LEU A 43 3.043 -0.677 -4.159 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.487 -0.775 -3.690 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.325 0.460 -3.447 1.00 0.00 C ATOM 0 H LEU A 43 3.407 -0.328 -8.141 1.00 0.00 H new ATOM 0 HA LEU A 43 4.350 -2.099 -6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.576 0.394 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.952 -0.263 -5.953 1.00 0.00 H new ATOM 0 HG LEU A 43 2.538 -1.611 -3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.510 -0.913 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.970 -1.624 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.017 0.141 -3.950 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.378 0.305 -2.369 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.801 1.407 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.281 0.483 -3.759 1.00 0.00 H new ATOM 651 N ALA A 44 1.723 -2.806 -7.754 1.00 0.00 N ATOM 652 CA ALA A 44 0.663 -3.785 -7.962 1.00 0.00 C ATOM 653 C ALA A 44 1.143 -5.192 -7.623 1.00 0.00 C ATOM 654 O ALA A 44 0.541 -5.902 -6.817 1.00 0.00 O ATOM 655 CB ALA A 44 0.165 -3.726 -9.398 1.00 0.00 C ATOM 0 H ALA A 44 1.904 -2.204 -8.557 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.162 -3.540 -7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.626 -4.462 -9.539 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.225 -2.730 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.989 -3.944 -10.078 1.00 0.00 H new ATOM 661 N PRO A 45 2.252 -5.608 -8.253 1.00 0.00 N ATOM 662 CA PRO A 45 2.836 -6.935 -8.034 1.00 0.00 C ATOM 663 C PRO A 45 3.454 -7.075 -6.647 1.00 0.00 C ATOM 664 O PRO A 45 3.235 -8.071 -5.958 1.00 0.00 O ATOM 665 CB PRO A 45 3.918 -7.028 -9.113 1.00 0.00 C ATOM 666 CG PRO A 45 4.282 -5.613 -9.408 1.00 0.00 C ATOM 667 CD PRO A 45 3.021 -4.815 -9.227 1.00 0.00 C ATOM 0 HA PRO A 45 2.087 -7.725 -8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.781 -7.593 -8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.546 -7.535 -10.003 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.065 -5.263 -8.735 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.665 -5.512 -10.423 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.230 -3.813 -8.853 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.481 -4.699 -10.167 1.00 0.00 H new ATOM 675 N ILE A 46 4.224 -6.070 -6.244 1.00 0.00 N ATOM 676 CA ILE A 46 4.872 -6.082 -4.938 1.00 0.00 C ATOM 677 C ILE A 46 3.843 -6.166 -3.815 1.00 0.00 C ATOM 678 O ILE A 46 4.049 -6.863 -2.822 1.00 0.00 O ATOM 679 CB ILE A 46 5.741 -4.828 -4.730 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.763 -4.695 -5.861 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.442 -4.887 -3.380 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.103 -3.261 -6.202 1.00 0.00 C ATOM 0 H ILE A 46 4.414 -5.238 -6.802 1.00 0.00 H new ATOM 0 HA ILE A 46 5.510 -6.965 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 46 5.095 -3.950 -4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.676 -5.219 -5.578 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.374 -5.189 -6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.052 -3.994 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.698 -4.939 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.079 -5.771 -3.339 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.833 -3.243 -7.011 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.200 -2.738 -6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.522 -2.768 -5.325 1.00 0.00 H new ATOM 694 N TRP A 47 2.735 -5.452 -3.981 1.00 0.00 N ATOM 695 CA TRP A 47 1.673 -5.447 -2.982 1.00 0.00 C ATOM 696 C TRP A 47 0.920 -6.773 -2.981 1.00 0.00 C ATOM 697 O TRP A 47 0.498 -7.258 -1.931 1.00 0.00 O ATOM 698 CB TRP A 47 0.702 -4.296 -3.246 1.00 0.00 C ATOM 699 CG TRP A 47 -0.194 -3.995 -2.082 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.555 -4.103 -2.046 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.208 -3.536 -0.787 1.00 0.00 C ATOM 702 NE1 TRP A 47 -2.023 -3.739 -0.807 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.961 -3.388 -0.016 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.442 -3.239 -0.203 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.930 -2.953 1.306 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.471 -2.807 1.109 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.292 -2.669 1.853 1.00 0.00 C ATOM 0 H TRP A 47 2.549 -4.870 -4.797 1.00 0.00 H new ATOM 0 HA TRP A 47 2.131 -5.310 -2.002 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.271 -3.401 -3.498 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.089 -4.539 -4.114 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.173 -4.427 -2.871 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.002 -3.731 -0.522 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.357 -3.345 -0.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.838 -2.843 1.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.419 -2.572 1.569 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.348 -2.332 2.878 1.00 0.00 H new ATOM 718 N ASP A 48 0.755 -7.356 -4.164 1.00 0.00 N ATOM 719 CA ASP A 48 0.054 -8.627 -4.299 1.00 0.00 C ATOM 720 C ASP A 48 0.919 -9.780 -3.798 1.00 0.00 C ATOM 721 O ASP A 48 0.406 -10.800 -3.338 1.00 0.00 O ATOM 722 CB ASP A 48 -0.339 -8.864 -5.758 1.00 0.00 C ATOM 723 CG ASP A 48 -0.496 -10.337 -6.083 1.00 0.00 C ATOM 724 OD1 ASP A 48 0.535 -11.020 -6.257 1.00 0.00 O ATOM 725 OD2 ASP A 48 -1.651 -10.806 -6.163 1.00 0.00 O ATOM 0 H ASP A 48 1.097 -6.968 -5.043 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.849 -8.583 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.275 -8.347 -5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.418 -8.430 -6.411 1.00 0.00 H new ATOM 730 N LYS A 49 2.233 -9.612 -3.893 1.00 0.00 N ATOM 731 CA LYS A 49 3.170 -10.637 -3.449 1.00 0.00 C ATOM 732 C LYS A 49 3.281 -10.652 -1.928 1.00 0.00 C ATOM 733 O LYS A 49 3.563 -11.689 -1.326 1.00 0.00 O ATOM 734 CB LYS A 49 4.549 -10.400 -4.070 1.00 0.00 C ATOM 735 CG LYS A 49 4.637 -10.806 -5.531 1.00 0.00 C ATOM 736 CD LYS A 49 5.675 -9.985 -6.276 1.00 0.00 C ATOM 737 CE LYS A 49 7.088 -10.434 -5.938 1.00 0.00 C ATOM 738 NZ LYS A 49 7.357 -11.821 -6.409 1.00 0.00 N ATOM 0 H LYS A 49 2.674 -8.775 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 49 2.792 -11.605 -3.777 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.802 -9.344 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.294 -10.956 -3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.890 -11.864 -5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.663 -10.679 -6.004 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.510 -10.076 -7.350 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.557 -8.931 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.805 -9.751 -6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.238 -10.381 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.384 -11.978 -6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.934 -12.501 -5.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.941 -11.954 -7.353 1.00 0.00 H new ATOM 752 N LEU A 50 3.057 -9.497 -1.312 1.00 0.00 N ATOM 753 CA LEU A 50 3.130 -9.377 0.140 1.00 0.00 C ATOM 754 C LEU A 50 1.820 -9.813 0.789 1.00 0.00 C ATOM 755 O LEU A 50 1.815 -10.386 1.877 1.00 0.00 O ATOM 756 CB LEU A 50 3.455 -7.936 0.537 1.00 0.00 C ATOM 757 CG LEU A 50 2.954 -7.489 1.911 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.802 -8.105 3.014 1.00 0.00 C ATOM 759 CD2 LEU A 50 2.962 -5.971 2.014 1.00 0.00 C ATOM 0 H LEU A 50 2.823 -8.630 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 50 3.925 -10.033 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.537 -7.807 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.034 -7.269 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 50 1.928 -7.835 2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.431 -7.776 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.745 -9.192 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.838 -7.789 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.602 -5.671 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.978 -5.602 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.312 -5.551 1.247 1.00 0.00 H new ATOM 771 N GLY A 51 0.710 -9.538 0.112 1.00 0.00 N ATOM 772 CA GLY A 51 -0.591 -9.910 0.637 1.00 0.00 C ATOM 773 C GLY A 51 -0.749 -11.410 0.784 1.00 0.00 C ATOM 774 O GLY A 51 -1.332 -11.886 1.758 1.00 0.00 O ATOM 0 H GLY A 51 0.688 -9.064 -0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.737 -9.435 1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.369 -9.529 -0.025 1.00 0.00 H new ATOM 778 N GLU A 52 -0.229 -12.157 -0.185 1.00 0.00 N ATOM 779 CA GLU A 52 -0.318 -13.612 -0.159 1.00 0.00 C ATOM 780 C GLU A 52 0.496 -14.186 0.997 1.00 0.00 C ATOM 781 O GLU A 52 0.230 -15.290 1.472 1.00 0.00 O ATOM 782 CB GLU A 52 0.172 -14.199 -1.484 1.00 0.00 C ATOM 783 CG GLU A 52 1.675 -14.094 -1.677 1.00 0.00 C ATOM 784 CD GLU A 52 2.183 -14.979 -2.799 1.00 0.00 C ATOM 785 OE1 GLU A 52 2.151 -14.534 -3.965 1.00 0.00 O ATOM 786 OE2 GLU A 52 2.610 -16.116 -2.512 1.00 0.00 O ATOM 0 H GLU A 52 0.258 -11.779 -0.997 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.364 -13.884 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.120 -15.248 -1.537 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.328 -13.687 -2.306 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.939 -13.058 -1.889 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.177 -14.367 -0.749 1.00 0.00 H new ATOM 793 N THR A 53 1.493 -13.428 1.445 1.00 0.00 N ATOM 794 CA THR A 53 2.348 -13.861 2.543 1.00 0.00 C ATOM 795 C THR A 53 1.618 -13.769 3.878 1.00 0.00 C ATOM 796 O THR A 53 1.837 -14.584 4.774 1.00 0.00 O ATOM 797 CB THR A 53 3.636 -13.020 2.616 1.00 0.00 C ATOM 798 OG1 THR A 53 4.445 -13.260 1.459 1.00 0.00 O ATOM 799 CG2 THR A 53 4.428 -13.351 3.872 1.00 0.00 C ATOM 0 H THR A 53 1.728 -12.511 1.064 1.00 0.00 H new ATOM 0 HA THR A 53 2.612 -14.900 2.348 1.00 0.00 H new ATOM 0 HB THR A 53 3.354 -11.968 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.082 -12.761 0.697 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.333 -12.745 3.902 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.820 -13.139 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.699 -14.407 3.864 1.00 0.00 H new ATOM 807 N TYR A 54 0.749 -12.772 4.004 1.00 0.00 N ATOM 808 CA TYR A 54 -0.013 -12.573 5.231 1.00 0.00 C ATOM 809 C TYR A 54 -1.512 -12.660 4.962 1.00 0.00 C ATOM 810 O TYR A 54 -2.316 -12.024 5.644 1.00 0.00 O ATOM 811 CB TYR A 54 0.327 -11.217 5.853 1.00 0.00 C ATOM 812 CG TYR A 54 1.808 -11.006 6.072 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.642 -10.650 5.020 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.373 -11.161 7.332 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.996 -10.456 5.215 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.725 -10.968 7.537 1.00 0.00 C ATOM 817 CZ TYR A 54 4.533 -10.617 6.476 1.00 0.00 C ATOM 818 OH TYR A 54 5.880 -10.423 6.675 1.00 0.00 O ATOM 0 H TYR A 54 0.555 -12.089 3.271 1.00 0.00 H new ATOM 0 HA TYR A 54 0.259 -13.364 5.930 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.053 -10.425 5.207 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.190 -11.125 6.808 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.225 -10.523 4.032 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.744 -11.437 8.165 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.630 -10.180 4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.147 -11.091 8.523 1.00 0.00 H new ATOM 0 HH TYR A 54 6.096 -10.574 7.619 1.00 0.00 H new ATOM 828 N LYS A 55 -1.882 -13.453 3.962 1.00 0.00 N ATOM 829 CA LYS A 55 -3.284 -13.627 3.601 1.00 0.00 C ATOM 830 C LYS A 55 -3.999 -14.518 4.612 1.00 0.00 C ATOM 831 O LYS A 55 -5.200 -14.372 4.842 1.00 0.00 O ATOM 832 CB LYS A 55 -3.400 -14.232 2.200 1.00 0.00 C ATOM 833 CG LYS A 55 -3.062 -15.712 2.147 1.00 0.00 C ATOM 834 CD LYS A 55 -2.984 -16.215 0.716 1.00 0.00 C ATOM 835 CE LYS A 55 -2.048 -17.408 0.595 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.707 -18.675 1.016 1.00 0.00 N ATOM 0 H LYS A 55 -1.230 -13.986 3.387 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.760 -12.646 3.607 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.416 -14.087 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.737 -13.692 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.110 -15.887 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.817 -16.278 2.692 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.980 -16.496 0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.638 -15.412 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.709 -17.500 -0.437 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.162 -17.238 1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.036 -19.464 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.008 -18.597 2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.538 -18.851 0.415 1.00 0.00 H new ATOM 850 N ASP A 56 -3.254 -15.439 5.213 1.00 0.00 N ATOM 851 CA ASP A 56 -3.817 -16.351 6.202 1.00 0.00 C ATOM 852 C ASP A 56 -3.150 -16.159 7.560 1.00 0.00 C ATOM 853 O ASP A 56 -3.144 -17.066 8.394 1.00 0.00 O ATOM 854 CB ASP A 56 -3.655 -17.801 5.740 1.00 0.00 C ATOM 855 CG ASP A 56 -4.736 -18.709 6.292 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.839 -18.204 6.590 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.479 -19.924 6.427 1.00 0.00 O ATOM 0 H ASP A 56 -2.259 -15.574 5.033 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.879 -16.127 6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.676 -17.837 4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.679 -18.172 6.052 1.00 0.00 H new ATOM 862 N HIS A 57 -2.589 -14.974 7.776 1.00 0.00 N ATOM 863 CA HIS A 57 -1.918 -14.663 9.034 1.00 0.00 C ATOM 864 C HIS A 57 -2.898 -14.728 10.202 1.00 0.00 C ATOM 865 O HIS A 57 -4.054 -15.113 10.033 1.00 0.00 O ATOM 866 CB HIS A 57 -1.279 -13.276 8.966 1.00 0.00 C ATOM 867 CG HIS A 57 0.057 -13.199 9.640 1.00 0.00 C ATOM 868 ND1 HIS A 57 0.218 -12.783 10.944 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.297 -13.489 9.182 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.500 -12.818 11.260 1.00 0.00 C ATOM 871 NE2 HIS A 57 2.177 -13.244 10.208 1.00 0.00 N ATOM 0 H HIS A 57 -2.585 -14.213 7.097 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.137 -15.407 9.195 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.167 -12.987 7.921 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.951 -12.552 9.426 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.548 -13.846 8.194 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.923 -12.545 12.215 1.00 0.00 H new ATOM 0 HE2 HIS A 57 3.188 -13.370 10.165 1.00 0.00 H new ATOM 880 N GLU A 58 -2.426 -14.349 11.385 1.00 0.00 N ATOM 881 CA GLU A 58 -3.260 -14.366 12.581 1.00 0.00 C ATOM 882 C GLU A 58 -3.674 -12.952 12.976 1.00 0.00 C ATOM 883 O GLU A 58 -4.822 -12.710 13.346 1.00 0.00 O ATOM 884 CB GLU A 58 -2.516 -15.034 13.740 1.00 0.00 C ATOM 885 CG GLU A 58 -1.150 -14.428 14.015 1.00 0.00 C ATOM 886 CD GLU A 58 -0.103 -14.868 13.010 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.455 -15.620 12.078 1.00 0.00 O ATOM 888 OE2 GLU A 58 1.068 -14.460 13.158 1.00 0.00 O ATOM 0 H GLU A 58 -1.471 -14.027 11.541 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.159 -14.940 12.357 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.125 -14.962 14.641 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.396 -16.095 13.521 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.229 -13.341 13.999 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.827 -14.709 15.017 1.00 0.00 H new ATOM 895 N ASN A 59 -2.730 -12.020 12.893 1.00 0.00 N ATOM 896 CA ASN A 59 -2.996 -10.629 13.243 1.00 0.00 C ATOM 897 C ASN A 59 -2.662 -9.702 12.078 1.00 0.00 C ATOM 898 O ASN A 59 -3.079 -8.544 12.054 1.00 0.00 O ATOM 899 CB ASN A 59 -2.185 -10.228 14.477 1.00 0.00 C ATOM 900 CG ASN A 59 -0.696 -10.162 14.194 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.200 -9.179 13.645 1.00 0.00 O ATOM 902 ND2 ASN A 59 0.024 -11.213 14.570 1.00 0.00 N ATOM 0 H ASN A 59 -1.774 -12.203 12.587 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.058 -10.533 13.468 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.528 -9.257 14.834 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.369 -10.945 15.278 1.00 0.00 H new ATOM 0 HD21 ASN A 59 1.031 -11.226 14.406 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.430 -12.007 15.022 1.00 0.00 H new ATOM 909 N ILE A 60 -1.909 -10.221 11.113 1.00 0.00 N ATOM 910 CA ILE A 60 -1.521 -9.440 9.945 1.00 0.00 C ATOM 911 C ILE A 60 -2.479 -9.678 8.782 1.00 0.00 C ATOM 912 O ILE A 60 -2.710 -10.818 8.378 1.00 0.00 O ATOM 913 CB ILE A 60 -0.088 -9.778 9.493 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.881 -9.668 10.671 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.340 -8.858 8.360 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.330 -9.859 10.281 1.00 0.00 C ATOM 0 H ILE A 60 -1.556 -11.178 11.117 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.563 -8.391 10.238 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.070 -10.805 9.128 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.764 -8.689 11.137 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.614 -10.412 11.421 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.355 -9.109 8.051 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.337 -8.982 7.515 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.310 -7.823 8.701 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.960 -9.768 11.166 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.461 -10.848 9.842 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.614 -9.099 9.553 1.00 0.00 H new ATOM 928 N VAL A 61 -3.032 -8.595 8.247 1.00 0.00 N ATOM 929 CA VAL A 61 -3.963 -8.685 7.129 1.00 0.00 C ATOM 930 C VAL A 61 -3.705 -7.581 6.109 1.00 0.00 C ATOM 931 O VAL A 61 -3.954 -6.405 6.375 1.00 0.00 O ATOM 932 CB VAL A 61 -5.425 -8.596 7.606 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.325 -8.110 6.480 1.00 0.00 C ATOM 934 CG2 VAL A 61 -5.896 -9.942 8.133 1.00 0.00 C ATOM 0 H VAL A 61 -2.851 -7.644 8.570 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.801 -9.655 6.660 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.480 -7.874 8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.354 -8.053 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.999 -7.122 6.154 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.268 -8.806 5.643 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.931 -9.861 8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.827 -10.687 7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.268 -10.244 8.971 1.00 0.00 H new ATOM 944 N ILE A 62 -3.204 -7.969 4.940 1.00 0.00 N ATOM 945 CA ILE A 62 -2.914 -7.012 3.880 1.00 0.00 C ATOM 946 C ILE A 62 -4.171 -6.673 3.086 1.00 0.00 C ATOM 947 O ILE A 62 -5.000 -7.541 2.817 1.00 0.00 O ATOM 948 CB ILE A 62 -1.841 -7.550 2.915 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.561 -7.894 3.680 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.553 -6.532 1.821 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.080 -6.700 4.352 1.00 0.00 C ATOM 0 H ILE A 62 -2.991 -8.938 4.704 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.538 -6.110 4.363 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.218 -8.460 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.789 -8.646 4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.156 -8.341 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.793 -6.927 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.466 -6.332 1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.194 -5.606 2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.982 -7.018 4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.340 -5.955 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.620 -6.265 5.066 1.00 0.00 H new ATOM 963 N ALA A 63 -4.304 -5.404 2.712 1.00 0.00 N ATOM 964 CA ALA A 63 -5.458 -4.951 1.946 1.00 0.00 C ATOM 965 C ALA A 63 -5.094 -3.768 1.055 1.00 0.00 C ATOM 966 O ALA A 63 -4.167 -3.015 1.352 1.00 0.00 O ATOM 967 CB ALA A 63 -6.599 -4.578 2.881 1.00 0.00 C ATOM 0 H ALA A 63 -3.627 -4.672 2.927 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.782 -5.770 1.304 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.454 -4.241 2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.884 -5.448 3.472 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.277 -3.777 3.546 1.00 0.00 H new ATOM 973 N LYS A 64 -5.829 -3.610 -0.041 1.00 0.00 N ATOM 974 CA LYS A 64 -5.585 -2.519 -0.976 1.00 0.00 C ATOM 975 C LYS A 64 -6.876 -1.765 -1.282 1.00 0.00 C ATOM 976 O LYS A 64 -7.959 -2.349 -1.289 1.00 0.00 O ATOM 977 CB LYS A 64 -4.978 -3.057 -2.273 1.00 0.00 C ATOM 978 CG LYS A 64 -5.938 -3.905 -3.089 1.00 0.00 C ATOM 979 CD LYS A 64 -5.331 -4.310 -4.421 1.00 0.00 C ATOM 980 CE LYS A 64 -6.340 -5.040 -5.295 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.693 -5.682 -6.472 1.00 0.00 N ATOM 0 H LYS A 64 -6.599 -4.225 -0.303 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.882 -1.828 -0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.641 -2.218 -2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.096 -3.651 -2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.206 -4.798 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.859 -3.349 -3.262 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.971 -3.423 -4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.467 -4.951 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.851 -5.799 -4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.100 -4.337 -5.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.414 -6.169 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.227 -4.955 -7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.986 -6.371 -6.146 1.00 0.00 H new ATOM 995 N MET A 65 -6.752 -0.466 -1.534 1.00 0.00 N ATOM 996 CA MET A 65 -7.909 0.366 -1.843 1.00 0.00 C ATOM 997 C MET A 65 -7.541 1.460 -2.840 1.00 0.00 C ATOM 998 O MET A 65 -6.447 2.022 -2.784 1.00 0.00 O ATOM 999 CB MET A 65 -8.470 0.991 -0.564 1.00 0.00 C ATOM 1000 CG MET A 65 -9.874 1.551 -0.727 1.00 0.00 C ATOM 1001 SD MET A 65 -10.624 2.013 0.846 1.00 0.00 S ATOM 1002 CE MET A 65 -10.971 3.746 0.560 1.00 0.00 C ATOM 0 H MET A 65 -5.862 0.033 -1.530 1.00 0.00 H new ATOM 0 HA MET A 65 -8.672 -0.268 -2.293 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.477 0.239 0.225 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.804 1.790 -0.238 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.839 2.424 -1.379 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.502 0.809 -1.221 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.922 4.288 1.505 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.235 4.155 -0.132 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.968 3.852 0.133 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.461 1.758 -3.751 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.234 2.786 -4.760 1.00 0.00 C ATOM 1014 C ASP A 66 -8.709 4.148 -4.264 1.00 0.00 C ATOM 1015 O ASP A 66 -9.897 4.463 -4.330 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.953 2.422 -6.060 1.00 0.00 C ATOM 1017 CG ASP A 66 -9.280 0.945 -6.147 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -8.521 0.134 -5.576 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -10.295 0.598 -6.787 1.00 0.00 O ATOM 0 H ASP A 66 -9.371 1.302 -3.811 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.162 2.843 -4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.874 3.000 -6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.329 2.703 -6.908 1.00 0.00 H new ATOM 1024 N SER A 67 -7.774 4.951 -3.769 1.00 0.00 N ATOM 1025 CA SER A 67 -8.098 6.278 -3.258 1.00 0.00 C ATOM 1026 C SER A 67 -8.695 7.152 -4.356 1.00 0.00 C ATOM 1027 O SER A 67 -9.376 8.141 -4.079 1.00 0.00 O ATOM 1028 CB SER A 67 -6.847 6.946 -2.682 1.00 0.00 C ATOM 1029 OG SER A 67 -7.191 7.941 -1.733 1.00 0.00 O ATOM 0 H SER A 67 -6.785 4.706 -3.711 1.00 0.00 H new ATOM 0 HA SER A 67 -8.838 6.164 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.213 6.194 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.266 7.393 -3.488 1.00 0.00 H new ATOM 0 HG SER A 67 -7.990 8.421 -2.037 1.00 0.00 H new ATOM 1035 N THR A 68 -8.436 6.781 -5.606 1.00 0.00 N ATOM 1036 CA THR A 68 -8.946 7.530 -6.747 1.00 0.00 C ATOM 1037 C THR A 68 -10.372 7.112 -7.087 1.00 0.00 C ATOM 1038 O THR A 68 -11.120 7.868 -7.706 1.00 0.00 O ATOM 1039 CB THR A 68 -8.057 7.336 -7.990 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.376 6.097 -8.632 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.584 7.350 -7.608 1.00 0.00 C ATOM 0 H THR A 68 -7.876 5.966 -5.854 1.00 0.00 H new ATOM 0 HA THR A 68 -8.936 8.582 -6.463 1.00 0.00 H new ATOM 0 HB THR A 68 -8.247 8.160 -8.678 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.824 6.276 -9.485 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.975 7.211 -8.501 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.337 8.306 -7.145 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.383 6.543 -6.903 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.743 5.903 -6.676 1.00 0.00 N ATOM 1050 CA ALA A 69 -12.081 5.386 -6.935 1.00 0.00 C ATOM 1051 C ALA A 69 -12.900 5.315 -5.651 1.00 0.00 C ATOM 1052 O ALA A 69 -14.114 5.122 -5.688 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.999 4.014 -7.587 1.00 0.00 C ATOM 0 H ALA A 69 -10.136 5.264 -6.163 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.583 6.072 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.005 3.640 -7.775 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.459 4.091 -8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.474 3.327 -6.923 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.227 5.472 -4.515 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.893 5.425 -3.219 1.00 0.00 C ATOM 1061 C ASN A 70 -12.331 6.488 -2.280 1.00 0.00 C ATOM 1062 O ASN A 70 -11.140 6.490 -1.971 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.734 4.038 -2.591 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.114 2.924 -3.547 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.293 2.609 -3.713 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.115 2.321 -4.181 1.00 0.00 N ATOM 0 H ASN A 70 -11.221 5.633 -4.466 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.953 5.627 -3.375 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.700 3.903 -2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.354 3.974 -1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.310 1.564 -4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.153 2.615 -4.013 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.198 7.389 -1.829 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.788 8.457 -0.925 1.00 0.00 C ATOM 1075 C GLU A 71 -13.353 8.232 0.475 1.00 0.00 C ATOM 1076 O GLU A 71 -14.529 7.908 0.638 1.00 0.00 O ATOM 1077 CB GLU A 71 -13.250 9.814 -1.460 1.00 0.00 C ATOM 1078 CG GLU A 71 -12.349 10.968 -1.053 1.00 0.00 C ATOM 1079 CD GLU A 71 -12.431 12.139 -2.012 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -13.300 13.012 -1.811 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -11.624 12.182 -2.965 1.00 0.00 O ATOM 0 H GLU A 71 -14.188 7.401 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.700 8.449 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.299 9.769 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.261 10.010 -1.103 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.623 11.303 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.318 10.618 -1.000 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.504 8.405 1.484 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.917 8.222 2.870 1.00 0.00 C ATOM 1090 C VAL A 72 -12.329 9.306 3.767 1.00 0.00 C ATOM 1091 O VAL A 72 -11.179 9.708 3.597 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.491 6.842 3.405 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.303 5.739 2.744 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -11.001 6.623 3.185 1.00 0.00 C ATOM 0 H VAL A 72 -11.526 8.672 1.367 1.00 0.00 H new ATOM 0 HA VAL A 72 -14.005 8.291 2.887 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.686 6.811 4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -12.988 4.771 3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.361 5.889 2.957 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.142 5.765 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.717 5.643 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.779 6.673 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.438 7.395 3.710 1.00 0.00 H new ATOM 1104 N GLU A 73 -13.128 9.774 4.721 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.686 10.813 5.644 1.00 0.00 C ATOM 1106 C GLU A 73 -11.747 10.238 6.700 1.00 0.00 C ATOM 1107 O GLU A 73 -10.847 10.923 7.186 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.890 11.471 6.321 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.623 10.554 7.284 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.928 11.149 7.778 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -16.617 11.816 6.978 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -16.259 10.948 8.965 1.00 0.00 O ATOM 0 H GLU A 73 -14.083 9.451 4.875 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.144 11.566 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.554 12.356 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.587 11.810 5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.825 9.603 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.979 10.340 8.137 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.963 8.974 7.051 1.00 0.00 N ATOM 1120 CA ALA A 74 -11.136 8.306 8.048 1.00 0.00 C ATOM 1121 C ALA A 74 -9.674 8.274 7.617 1.00 0.00 C ATOM 1122 O ALA A 74 -8.792 7.922 8.401 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.647 6.894 8.297 1.00 0.00 C ATOM 0 H ALA A 74 -12.704 8.392 6.659 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.201 8.873 8.977 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.020 6.407 9.044 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.675 6.937 8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.613 6.326 7.368 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.423 8.642 6.364 1.00 0.00 N ATOM 1130 CA VAL A 75 -8.068 8.655 5.828 1.00 0.00 C ATOM 1131 C VAL A 75 -7.923 9.697 4.725 1.00 0.00 C ATOM 1132 O VAL A 75 -8.643 9.665 3.727 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.671 7.275 5.271 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.472 7.398 4.343 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.378 6.306 6.407 1.00 0.00 C ATOM 0 H VAL A 75 -10.141 8.935 5.702 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.404 8.910 6.654 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.508 6.881 4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.206 6.413 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.722 8.056 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.627 7.813 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.099 5.336 5.995 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.558 6.692 7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.267 6.194 7.028 1.00 0.00 H new ATOM 1145 N LYS A 76 -6.987 10.621 4.910 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.745 11.673 3.930 1.00 0.00 C ATOM 1147 C LYS A 76 -5.475 11.392 3.133 1.00 0.00 C ATOM 1148 O LYS A 76 -4.368 11.446 3.669 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.632 13.031 4.627 1.00 0.00 C ATOM 1150 CG LYS A 76 -7.915 13.473 5.310 1.00 0.00 C ATOM 1151 CD LYS A 76 -8.849 14.176 4.339 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.163 14.554 5.006 1.00 0.00 C ATOM 1153 NZ LYS A 76 -10.070 15.862 5.711 1.00 0.00 N ATOM 0 H LYS A 76 -6.383 10.663 5.731 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.589 11.694 3.240 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.834 12.985 5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.343 13.784 3.893 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.418 12.606 5.737 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.677 14.142 6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.365 15.072 3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.046 13.526 3.486 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.951 14.601 4.255 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.446 13.778 5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.985 16.084 6.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.335 15.809 6.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.825 16.607 5.029 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.643 11.094 1.848 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.510 10.807 0.976 1.00 0.00 C ATOM 1169 C VAL A 77 -4.357 11.880 -0.096 1.00 0.00 C ATOM 1170 O VAL A 77 -5.208 12.021 -0.975 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.660 9.434 0.295 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.377 9.055 -0.430 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -5.039 8.372 1.316 1.00 0.00 C ATOM 0 H VAL A 77 -6.552 11.045 1.388 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.620 10.797 1.605 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.460 9.498 -0.442 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.501 8.082 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.154 9.804 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.556 9.007 0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.141 7.408 0.818 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.262 8.306 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.986 8.640 1.785 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.265 12.635 -0.019 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.999 13.696 -0.984 1.00 0.00 C ATOM 1185 C HIS A 78 -1.834 13.322 -1.895 1.00 0.00 C ATOM 1186 O HIS A 78 -1.181 14.191 -2.473 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.695 15.008 -0.260 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.664 15.326 0.836 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -4.860 15.977 0.618 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -3.610 15.077 2.166 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -5.498 16.116 1.767 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -4.761 15.578 2.721 1.00 0.00 N ATOM 0 H HIS A 78 -2.550 12.532 0.702 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.890 13.827 -1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.690 14.958 0.158 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.699 15.822 -0.984 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -2.810 14.577 2.692 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.459 16.589 1.903 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -5.007 15.541 3.710 1.00 0.00 H new ATOM 1201 N SER A 79 -1.578 12.023 -2.017 1.00 0.00 N ATOM 1202 CA SER A 79 -0.489 11.534 -2.855 1.00 0.00 C ATOM 1203 C SER A 79 -0.589 10.024 -3.048 1.00 0.00 C ATOM 1204 O SER A 79 -1.346 9.346 -2.354 1.00 0.00 O ATOM 1205 CB SER A 79 0.862 11.891 -2.231 1.00 0.00 C ATOM 1206 OG SER A 79 1.295 13.173 -2.654 1.00 0.00 O ATOM 0 H SER A 79 -2.110 11.291 -1.546 1.00 0.00 H new ATOM 0 HA SER A 79 -0.569 12.014 -3.830 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.781 11.871 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.604 11.143 -2.509 1.00 0.00 H new ATOM 0 HG SER A 79 0.571 13.821 -2.528 1.00 0.00 H new ATOM 1212 N PHE A 80 0.182 9.504 -3.998 1.00 0.00 N ATOM 1213 CA PHE A 80 0.180 8.074 -4.286 1.00 0.00 C ATOM 1214 C PHE A 80 1.433 7.674 -5.060 1.00 0.00 C ATOM 1215 O PHE A 80 2.016 8.467 -5.799 1.00 0.00 O ATOM 1216 CB PHE A 80 -1.069 7.694 -5.083 1.00 0.00 C ATOM 1217 CG PHE A 80 -2.311 8.402 -4.626 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -3.069 7.896 -3.583 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.721 9.575 -5.239 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -4.213 8.546 -3.158 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.864 10.230 -4.819 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.611 9.714 -3.778 1.00 0.00 C ATOM 0 H PHE A 80 0.816 10.051 -4.581 1.00 0.00 H new ATOM 0 HA PHE A 80 0.173 7.537 -3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.900 7.918 -6.136 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.225 6.618 -5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.763 6.982 -3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.141 9.982 -6.054 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.794 8.141 -2.343 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.172 11.144 -5.304 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.505 10.223 -3.449 1.00 0.00 H new ATOM 1232 N PRO A 81 1.858 6.414 -4.886 1.00 0.00 N ATOM 1233 CA PRO A 81 1.173 5.461 -4.007 1.00 0.00 C ATOM 1234 C PRO A 81 1.324 5.820 -2.533 1.00 0.00 C ATOM 1235 O PRO A 81 2.338 6.383 -2.120 1.00 0.00 O ATOM 1236 CB PRO A 81 1.872 4.134 -4.309 1.00 0.00 C ATOM 1237 CG PRO A 81 3.224 4.521 -4.801 1.00 0.00 C ATOM 1238 CD PRO A 81 3.041 5.822 -5.532 1.00 0.00 C ATOM 0 HA PRO A 81 0.098 5.442 -4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.939 3.510 -3.418 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.327 3.561 -5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.923 4.634 -3.973 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.633 3.756 -5.461 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.916 6.464 -5.434 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.880 5.664 -6.598 1.00 0.00 H new ATOM 1246 N THR A 82 0.308 5.490 -1.741 1.00 0.00 N ATOM 1247 CA THR A 82 0.328 5.778 -0.312 1.00 0.00 C ATOM 1248 C THR A 82 0.016 4.529 0.505 1.00 0.00 C ATOM 1249 O THR A 82 -0.925 3.795 0.201 1.00 0.00 O ATOM 1250 CB THR A 82 -0.682 6.882 0.053 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.201 8.154 -0.395 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.920 6.923 1.555 1.00 0.00 C ATOM 0 H THR A 82 -0.539 5.023 -2.065 1.00 0.00 H new ATOM 0 HA THR A 82 1.334 6.123 -0.073 1.00 0.00 H new ATOM 0 HB THR A 82 -1.627 6.657 -0.442 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.695 8.427 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.637 7.710 1.788 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.315 5.963 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.021 7.125 2.067 1.00 0.00 H new ATOM 1260 N LEU A 83 0.811 4.293 1.543 1.00 0.00 N ATOM 1261 CA LEU A 83 0.619 3.132 2.405 1.00 0.00 C ATOM 1262 C LEU A 83 0.363 3.561 3.846 1.00 0.00 C ATOM 1263 O LEU A 83 1.039 4.445 4.372 1.00 0.00 O ATOM 1264 CB LEU A 83 1.843 2.218 2.343 1.00 0.00 C ATOM 1265 CG LEU A 83 2.329 1.841 0.943 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.582 0.983 1.025 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.233 1.114 0.176 1.00 0.00 C ATOM 0 H LEU A 83 1.594 4.890 1.808 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.253 2.585 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.662 2.705 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.614 1.301 2.886 1.00 0.00 H new ATOM 0 HG LEU A 83 2.575 2.757 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.913 0.725 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.370 1.537 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.363 0.071 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.596 0.853 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.956 0.206 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.361 1.762 0.085 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.617 2.928 4.482 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.962 3.240 5.864 1.00 0.00 C ATOM 1281 C LYS A 84 -1.188 1.965 6.669 1.00 0.00 C ATOM 1282 O LYS A 84 -2.012 1.126 6.304 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.215 4.116 5.913 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.176 5.289 4.948 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.949 6.481 5.487 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.683 7.734 4.668 1.00 0.00 C ATOM 1287 NZ LYS A 84 -1.380 8.363 5.023 1.00 0.00 N ATOM 0 H LYS A 84 -1.187 2.194 4.061 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.128 3.785 6.306 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.087 3.501 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.344 4.495 6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.141 5.578 4.767 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.595 4.986 3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.016 6.259 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.670 6.658 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.688 7.482 3.607 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.488 8.451 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.236 9.214 4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.384 8.626 6.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.609 7.688 4.845 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.453 1.825 7.768 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.575 0.652 8.625 1.00 0.00 C ATOM 1303 C PHE A 85 -1.577 0.902 9.749 1.00 0.00 C ATOM 1304 O PHE A 85 -1.499 1.909 10.453 1.00 0.00 O ATOM 1305 CB PHE A 85 0.788 0.282 9.215 1.00 0.00 C ATOM 1306 CG PHE A 85 0.718 -0.801 10.253 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.513 -0.488 11.587 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.857 -2.132 9.894 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.447 -1.483 12.545 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.792 -3.131 10.848 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.588 -2.806 12.174 1.00 0.00 C ATOM 0 H PHE A 85 0.233 2.510 8.086 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.937 -0.176 8.016 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.448 -0.040 8.410 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.236 1.171 9.659 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.403 0.545 11.882 1.00 0.00 H new ATOM 0 HD2 PHE A 85 1.018 -2.392 8.858 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.285 -1.226 13.581 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.901 -4.165 10.556 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.539 -3.585 12.920 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.517 -0.023 9.910 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.536 0.096 10.947 1.00 0.00 C ATOM 1323 C PHE A 86 -3.253 -0.862 12.100 1.00 0.00 C ATOM 1324 O PHE A 86 -3.405 -2.078 11.982 1.00 0.00 O ATOM 1325 CB PHE A 86 -4.922 -0.185 10.364 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.272 0.693 9.197 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.494 1.797 8.887 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.378 0.415 8.410 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.812 2.608 7.813 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.701 1.222 7.335 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.918 2.320 7.037 1.00 0.00 C ATOM 0 H PHE A 86 -2.595 -0.863 9.336 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.511 1.116 11.331 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.971 -1.228 10.051 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.670 -0.052 11.146 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.629 2.027 9.491 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.995 -0.442 8.639 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.197 3.465 7.581 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.565 0.994 6.729 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.170 2.952 6.199 1.00 0.00 H new ATOM 1341 N PRO A 87 -2.830 -0.302 13.244 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.517 -1.087 14.441 1.00 0.00 C ATOM 1343 C PRO A 87 -3.763 -1.689 15.082 1.00 0.00 C ATOM 1344 O PRO A 87 -4.887 -1.320 14.743 1.00 0.00 O ATOM 1345 CB PRO A 87 -1.875 -0.062 15.379 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.428 1.250 14.942 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.627 1.141 13.455 1.00 0.00 C ATOM 0 HA PRO A 87 -1.875 -1.938 14.214 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.122 -0.269 16.420 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.788 -0.079 15.300 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.370 1.464 15.447 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.744 2.063 15.186 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.487 1.721 13.121 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.761 1.510 12.905 1.00 0.00 H new ATOM 1355 N ALA A 88 -3.555 -2.618 16.010 1.00 0.00 N ATOM 1356 CA ALA A 88 -4.662 -3.269 16.700 1.00 0.00 C ATOM 1357 C ALA A 88 -5.278 -2.344 17.744 1.00 0.00 C ATOM 1358 O ALA A 88 -5.370 -2.695 18.921 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.191 -4.562 17.349 1.00 0.00 C ATOM 0 H ALA A 88 -2.631 -2.936 16.301 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.430 -3.504 15.963 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.027 -5.038 17.861 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.805 -5.234 16.583 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.403 -4.342 18.069 1.00 0.00 H new ATOM 1422 N THR A 93 -6.832 4.197 14.710 1.00 0.00 N ATOM 1423 CA THR A 93 -5.529 4.831 14.550 1.00 0.00 C ATOM 1424 C THR A 93 -4.868 4.406 13.243 1.00 0.00 C ATOM 1425 O THR A 93 -5.078 3.291 12.764 1.00 0.00 O ATOM 1426 CB THR A 93 -4.590 4.489 15.722 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.206 4.848 16.964 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.261 5.215 15.580 1.00 0.00 C ATOM 0 HA THR A 93 -5.701 5.907 14.534 1.00 0.00 H new ATOM 0 HB THR A 93 -4.402 3.415 15.707 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.179 4.868 16.853 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.615 4.958 16.419 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.781 4.917 14.648 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.433 6.291 15.571 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.068 5.300 12.672 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.375 5.017 11.421 1.00 0.00 C ATOM 1438 C VAL A 94 -1.899 5.386 11.516 1.00 0.00 C ATOM 1439 O VAL A 94 -1.544 6.436 12.052 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.009 5.779 10.242 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.111 5.710 9.017 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.391 5.226 9.933 1.00 0.00 C ATOM 0 H VAL A 94 -3.884 6.227 13.056 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.469 3.946 11.243 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.117 6.826 10.524 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.575 6.254 8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.145 6.158 9.249 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.968 4.669 8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.824 5.776 9.098 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.310 4.171 9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.030 5.334 10.809 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.042 4.516 10.991 1.00 0.00 N ATOM 1453 CA ILE A 95 0.396 4.752 11.014 1.00 0.00 C ATOM 1454 C ILE A 95 0.931 5.031 9.614 1.00 0.00 C ATOM 1455 O ILE A 95 0.584 4.338 8.657 1.00 0.00 O ATOM 1456 CB ILE A 95 1.153 3.551 11.611 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.817 3.394 13.095 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.653 3.721 11.417 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.563 2.263 13.768 1.00 0.00 C ATOM 0 H ILE A 95 -1.319 3.642 10.545 1.00 0.00 H new ATOM 0 HA ILE A 95 0.562 5.626 11.644 1.00 0.00 H new ATOM 0 HB ILE A 95 0.839 2.647 11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.045 4.327 13.611 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.255 3.225 13.201 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.174 2.864 11.844 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.877 3.788 10.352 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.983 4.632 11.915 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.275 2.211 14.818 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.316 1.322 13.277 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.636 2.440 13.694 1.00 0.00 H new ATOM 1471 N ASP A 96 1.778 6.048 9.502 1.00 0.00 N ATOM 1472 CA ASP A 96 2.363 6.417 8.218 1.00 0.00 C ATOM 1473 C ASP A 96 3.540 5.508 7.876 1.00 0.00 C ATOM 1474 O ASP A 96 4.418 5.273 8.707 1.00 0.00 O ATOM 1475 CB ASP A 96 2.821 7.877 8.243 1.00 0.00 C ATOM 1476 CG ASP A 96 3.955 8.111 9.222 1.00 0.00 C ATOM 1477 OD1 ASP A 96 5.121 7.867 8.847 1.00 0.00 O ATOM 1478 OD2 ASP A 96 3.677 8.537 10.362 1.00 0.00 O ATOM 0 H ASP A 96 2.075 6.631 10.284 1.00 0.00 H new ATOM 0 HA ASP A 96 1.599 6.297 7.450 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.141 8.172 7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.978 8.515 8.509 1.00 0.00 H new ATOM 1483 N TYR A 97 3.550 4.999 6.649 1.00 0.00 N ATOM 1484 CA TYR A 97 4.616 4.113 6.198 1.00 0.00 C ATOM 1485 C TYR A 97 5.614 4.864 5.322 1.00 0.00 C ATOM 1486 O TYR A 97 5.289 5.287 4.214 1.00 0.00 O ATOM 1487 CB TYR A 97 4.031 2.930 5.425 1.00 0.00 C ATOM 1488 CG TYR A 97 5.062 1.897 5.028 1.00 0.00 C ATOM 1489 CD1 TYR A 97 5.890 2.100 3.931 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.207 0.719 5.750 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.833 1.159 3.564 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.148 -0.227 5.391 1.00 0.00 C ATOM 1493 CZ TYR A 97 6.958 -0.003 4.298 1.00 0.00 C ATOM 1494 OH TYR A 97 7.896 -0.943 3.936 1.00 0.00 O ATOM 0 H TYR A 97 2.832 5.185 5.949 1.00 0.00 H new ATOM 0 HA TYR A 97 5.141 3.740 7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.265 2.451 6.035 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.537 3.302 4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.795 3.009 3.355 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.574 0.540 6.606 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.468 1.332 2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.248 -1.137 5.964 1.00 0.00 H new ATOM 0 HH TYR A 97 7.510 -1.551 3.271 1.00 0.00 H new ATOM 1504 N ASN A 98 6.833 5.024 5.829 1.00 0.00 N ATOM 1505 CA ASN A 98 7.880 5.723 5.094 1.00 0.00 C ATOM 1506 C ASN A 98 9.189 4.941 5.136 1.00 0.00 C ATOM 1507 O ASN A 98 10.170 5.381 5.734 1.00 0.00 O ATOM 1508 CB ASN A 98 8.092 7.123 5.674 1.00 0.00 C ATOM 1509 CG ASN A 98 7.054 8.115 5.184 1.00 0.00 C ATOM 1510 OD1 ASN A 98 7.244 8.774 4.162 1.00 0.00 O ATOM 1511 ND2 ASN A 98 5.950 8.224 5.914 1.00 0.00 N ATOM 0 H ASN A 98 7.119 4.679 6.745 1.00 0.00 H new ATOM 0 HA ASN A 98 7.562 5.811 4.055 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.056 7.072 6.762 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.086 7.479 5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.216 8.875 5.635 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.836 7.657 6.754 1.00 0.00 H new ATOM 1518 N GLY A 99 9.197 3.776 4.494 1.00 0.00 N ATOM 1519 CA GLY A 99 10.390 2.950 4.469 1.00 0.00 C ATOM 1520 C GLY A 99 10.877 2.677 3.060 1.00 0.00 C ATOM 1521 O GLY A 99 10.676 3.490 2.159 1.00 0.00 O ATOM 0 H GLY A 99 8.398 3.390 3.991 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.181 3.443 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.183 2.003 4.968 1.00 0.00 H new ATOM 1525 N GLU A 100 11.520 1.529 2.870 1.00 0.00 N ATOM 1526 CA GLU A 100 12.039 1.153 1.560 1.00 0.00 C ATOM 1527 C GLU A 100 10.901 0.904 0.575 1.00 0.00 C ATOM 1528 O GLU A 100 11.082 1.010 -0.638 1.00 0.00 O ATOM 1529 CB GLU A 100 12.914 -0.097 1.673 1.00 0.00 C ATOM 1530 CG GLU A 100 12.251 -1.237 2.428 1.00 0.00 C ATOM 1531 CD GLU A 100 13.103 -2.491 2.457 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.651 -2.860 1.397 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.222 -3.104 3.539 1.00 0.00 O ATOM 0 H GLU A 100 11.694 0.844 3.606 1.00 0.00 H new ATOM 0 HA GLU A 100 12.645 1.979 1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.176 -0.439 0.672 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.846 0.166 2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.044 -0.919 3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.291 -1.465 1.965 1.00 0.00 H new ATOM 1540 N ARG A 101 9.729 0.570 1.106 1.00 0.00 N ATOM 1541 CA ARG A 101 8.562 0.304 0.275 1.00 0.00 C ATOM 1542 C ARG A 101 8.807 -0.895 -0.638 1.00 0.00 C ATOM 1543 O ARG A 101 8.570 -0.829 -1.845 1.00 0.00 O ATOM 1544 CB ARG A 101 8.215 1.535 -0.565 1.00 0.00 C ATOM 1545 CG ARG A 101 6.744 1.624 -0.936 1.00 0.00 C ATOM 1546 CD ARG A 101 6.529 2.511 -2.153 1.00 0.00 C ATOM 1547 NE ARG A 101 6.690 3.927 -1.833 1.00 0.00 N ATOM 1548 CZ ARG A 101 5.723 4.678 -1.318 1.00 0.00 C ATOM 1549 NH1 ARG A 101 4.533 4.152 -1.066 1.00 0.00 N ATOM 1550 NH2 ARG A 101 5.946 5.959 -1.054 1.00 0.00 N ATOM 0 H ARG A 101 9.563 0.477 2.108 1.00 0.00 H new ATOM 0 HA ARG A 101 7.724 0.074 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.497 2.432 -0.013 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.811 1.521 -1.478 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.358 0.625 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 101 6.178 2.019 -0.092 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.237 2.233 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.530 2.341 -2.553 1.00 0.00 H new ATOM 0 HE ARG A 101 7.594 4.363 -2.015 1.00 0.00 H new ATOM 0 HH11 ARG A 101 4.357 3.168 -1.268 1.00 0.00 H new ATOM 0 HH12 ARG A 101 3.793 4.732 -0.670 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.860 6.368 -1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 101 5.203 6.535 -0.659 1.00 0.00 H new ATOM 1564 N THR A 102 9.283 -1.990 -0.053 1.00 0.00 N ATOM 1565 CA THR A 102 9.561 -3.202 -0.813 1.00 0.00 C ATOM 1566 C THR A 102 8.901 -4.417 -0.171 1.00 0.00 C ATOM 1567 O THR A 102 8.669 -4.443 1.038 1.00 0.00 O ATOM 1568 CB THR A 102 11.076 -3.456 -0.929 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.623 -3.757 0.360 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.785 -2.245 -1.516 1.00 0.00 C ATOM 0 H THR A 102 9.484 -2.062 0.944 1.00 0.00 H new ATOM 0 HA THR A 102 9.147 -3.052 -1.810 1.00 0.00 H new ATOM 0 HB THR A 102 11.229 -4.305 -1.595 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.575 -3.527 0.373 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.853 -2.448 -1.588 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.387 -2.037 -2.509 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.623 -1.381 -0.872 1.00 0.00 H new ATOM 1578 N LEU A 103 8.602 -5.421 -0.987 1.00 0.00 N ATOM 1579 CA LEU A 103 7.968 -6.641 -0.498 1.00 0.00 C ATOM 1580 C LEU A 103 8.619 -7.111 0.799 1.00 0.00 C ATOM 1581 O LEU A 103 7.933 -7.420 1.773 1.00 0.00 O ATOM 1582 CB LEU A 103 8.056 -7.744 -1.554 1.00 0.00 C ATOM 1583 CG LEU A 103 7.649 -9.145 -1.098 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.156 -9.201 -0.814 1.00 0.00 C ATOM 1585 CD2 LEU A 103 8.034 -10.180 -2.145 1.00 0.00 C ATOM 0 H LEU A 103 8.788 -5.415 -1.990 1.00 0.00 H new ATOM 0 HA LEU A 103 6.919 -6.420 -0.298 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.427 -7.462 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.082 -7.787 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 103 8.182 -9.375 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.885 -10.206 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.908 -8.488 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.604 -8.950 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.737 -11.171 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.529 -9.953 -3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.113 -10.158 -2.299 1.00 0.00 H new ATOM 1597 N ASP A 104 9.947 -7.159 0.804 1.00 0.00 N ATOM 1598 CA ASP A 104 10.692 -7.588 1.983 1.00 0.00 C ATOM 1599 C ASP A 104 10.661 -6.513 3.065 1.00 0.00 C ATOM 1600 O ASP A 104 10.621 -6.818 4.256 1.00 0.00 O ATOM 1601 CB ASP A 104 12.139 -7.911 1.608 1.00 0.00 C ATOM 1602 CG ASP A 104 12.739 -8.987 2.492 1.00 0.00 C ATOM 1603 OD1 ASP A 104 12.479 -8.965 3.713 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.470 -9.851 1.962 1.00 0.00 O ATOM 0 H ASP A 104 10.529 -6.906 0.006 1.00 0.00 H new ATOM 0 HA ASP A 104 10.218 -8.487 2.376 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.178 -8.235 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.741 -7.006 1.682 1.00 0.00 H new ATOM 1609 N GLY A 105 10.682 -5.253 2.642 1.00 0.00 N ATOM 1610 CA GLY A 105 10.657 -4.152 3.587 1.00 0.00 C ATOM 1611 C GLY A 105 9.376 -4.112 4.397 1.00 0.00 C ATOM 1612 O GLY A 105 9.390 -3.761 5.577 1.00 0.00 O ATOM 0 H GLY A 105 10.716 -4.975 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.508 -4.238 4.263 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.772 -3.212 3.048 1.00 0.00 H new ATOM 1616 N PHE A 106 8.265 -4.470 3.762 1.00 0.00 N ATOM 1617 CA PHE A 106 6.969 -4.470 4.430 1.00 0.00 C ATOM 1618 C PHE A 106 6.941 -5.494 5.562 1.00 0.00 C ATOM 1619 O PHE A 106 6.452 -5.214 6.656 1.00 0.00 O ATOM 1620 CB PHE A 106 5.854 -4.772 3.427 1.00 0.00 C ATOM 1621 CG PHE A 106 5.737 -3.748 2.335 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.735 -2.395 2.634 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.629 -4.137 1.010 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.627 -1.450 1.631 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.521 -3.197 0.002 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.521 -1.851 0.314 1.00 0.00 C ATOM 0 H PHE A 106 8.236 -4.764 2.786 1.00 0.00 H new ATOM 0 HA PHE A 106 6.807 -3.479 4.855 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.034 -5.750 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.905 -4.834 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.819 -2.075 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.629 -5.188 0.761 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.626 -0.398 1.877 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.437 -3.514 -1.027 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.438 -1.114 -0.471 1.00 0.00 H new ATOM 1636 N LYS A 107 7.469 -6.683 5.289 1.00 0.00 N ATOM 1637 CA LYS A 107 7.506 -7.749 6.283 1.00 0.00 C ATOM 1638 C LYS A 107 8.161 -7.268 7.573 1.00 0.00 C ATOM 1639 O LYS A 107 7.693 -7.573 8.671 1.00 0.00 O ATOM 1640 CB LYS A 107 8.265 -8.959 5.733 1.00 0.00 C ATOM 1641 CG LYS A 107 7.682 -9.508 4.442 1.00 0.00 C ATOM 1642 CD LYS A 107 7.915 -11.004 4.316 1.00 0.00 C ATOM 1643 CE LYS A 107 7.863 -11.456 2.865 1.00 0.00 C ATOM 1644 NZ LYS A 107 7.802 -12.939 2.748 1.00 0.00 N ATOM 0 H LYS A 107 7.877 -6.932 4.388 1.00 0.00 H new ATOM 0 HA LYS A 107 6.480 -8.041 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.304 -8.678 5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.268 -9.748 6.485 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.612 -9.302 4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.132 -8.996 3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.885 -11.259 4.743 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.161 -11.540 4.893 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.992 -11.017 2.379 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.742 -11.086 2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.502 -13.261 2.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.011 -13.369 3.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.850 -13.224 2.441 1.00 0.00 H new ATOM 1658 N LYS A 108 9.246 -6.514 7.435 1.00 0.00 N ATOM 1659 CA LYS A 108 9.965 -5.988 8.590 1.00 0.00 C ATOM 1660 C LYS A 108 9.079 -5.049 9.401 1.00 0.00 C ATOM 1661 O LYS A 108 8.994 -5.160 10.624 1.00 0.00 O ATOM 1662 CB LYS A 108 11.228 -5.252 8.138 1.00 0.00 C ATOM 1663 CG LYS A 108 12.035 -6.010 7.098 1.00 0.00 C ATOM 1664 CD LYS A 108 13.409 -5.392 6.899 1.00 0.00 C ATOM 1665 CE LYS A 108 14.029 -5.824 5.579 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.508 -5.650 5.578 1.00 0.00 N ATOM 0 H LYS A 108 9.647 -6.253 6.534 1.00 0.00 H new ATOM 0 HA LYS A 108 10.249 -6.828 9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.946 -4.281 7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.858 -5.062 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 108 12.144 -7.049 7.407 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.496 -6.014 6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.328 -4.305 6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.062 -5.683 7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 108 13.786 -6.869 5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.594 -5.243 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.893 -5.955 4.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.740 -4.648 5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.926 -6.225 6.338 1.00 0.00 H new ATOM 1680 N PHE A 109 8.418 -4.124 8.711 1.00 0.00 N ATOM 1681 CA PHE A 109 7.537 -3.165 9.368 1.00 0.00 C ATOM 1682 C PHE A 109 6.377 -3.877 10.059 1.00 0.00 C ATOM 1683 O PHE A 109 6.008 -3.539 11.184 1.00 0.00 O ATOM 1684 CB PHE A 109 6.999 -2.156 8.352 1.00 0.00 C ATOM 1685 CG PHE A 109 6.215 -1.037 8.976 1.00 0.00 C ATOM 1686 CD1 PHE A 109 4.852 -1.163 9.189 1.00 0.00 C ATOM 1687 CD2 PHE A 109 6.842 0.141 9.349 1.00 0.00 C ATOM 1688 CE1 PHE A 109 4.128 -0.135 9.763 1.00 0.00 C ATOM 1689 CE2 PHE A 109 6.123 1.172 9.924 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.764 1.034 10.130 1.00 0.00 C ATOM 0 H PHE A 109 8.476 -4.019 7.698 1.00 0.00 H new ATOM 0 HA PHE A 109 8.117 -2.635 10.124 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.834 -1.736 7.792 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.365 -2.677 7.635 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.349 -2.075 8.903 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.904 0.255 9.189 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.066 -0.246 9.924 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.623 2.085 10.212 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.200 1.839 10.577 1.00 0.00 H new ATOM 1700 N LEU A 110 5.806 -4.863 9.376 1.00 0.00 N ATOM 1701 CA LEU A 110 4.687 -5.623 9.922 1.00 0.00 C ATOM 1702 C LEU A 110 5.129 -6.461 11.118 1.00 0.00 C ATOM 1703 O LEU A 110 4.650 -6.266 12.235 1.00 0.00 O ATOM 1704 CB LEU A 110 4.086 -6.529 8.846 1.00 0.00 C ATOM 1705 CG LEU A 110 3.539 -5.823 7.604 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.371 -6.810 6.460 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.217 -5.139 7.919 1.00 0.00 C ATOM 0 H LEU A 110 6.099 -5.155 8.444 1.00 0.00 H new ATOM 0 HA LEU A 110 3.929 -4.915 10.257 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.850 -7.239 8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.279 -7.108 9.296 1.00 0.00 H new ATOM 0 HG LEU A 110 4.256 -5.061 7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.981 -6.290 5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.337 -7.254 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.675 -7.595 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.842 -4.642 7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.493 -5.883 8.251 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.368 -4.402 8.708 1.00 0.00 H new ATOM 1719 N GLU A 111 6.047 -7.391 10.875 1.00 0.00 N ATOM 1720 CA GLU A 111 6.555 -8.257 11.933 1.00 0.00 C ATOM 1721 C GLU A 111 6.724 -7.481 13.236 1.00 0.00 C ATOM 1722 O GLU A 111 6.418 -7.987 14.316 1.00 0.00 O ATOM 1723 CB GLU A 111 7.891 -8.876 11.518 1.00 0.00 C ATOM 1724 CG GLU A 111 7.750 -10.018 10.526 1.00 0.00 C ATOM 1725 CD GLU A 111 8.882 -11.022 10.627 1.00 0.00 C ATOM 1726 OE1 GLU A 111 9.360 -11.267 11.754 1.00 0.00 O ATOM 1727 OE2 GLU A 111 9.289 -11.564 9.578 1.00 0.00 O ATOM 0 H GLU A 111 6.454 -7.564 9.956 1.00 0.00 H new ATOM 0 HA GLU A 111 5.829 -9.054 12.096 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.521 -8.101 11.080 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.405 -9.240 12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.801 -10.527 10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.717 -9.614 9.514 1.00 0.00 H new ATOM 1734 N SER A 112 7.215 -6.251 13.126 1.00 0.00 N ATOM 1735 CA SER A 112 7.429 -5.406 14.296 1.00 0.00 C ATOM 1736 C SER A 112 6.102 -5.041 14.953 1.00 0.00 C ATOM 1737 O SER A 112 5.982 -5.041 16.178 1.00 0.00 O ATOM 1738 CB SER A 112 8.183 -4.134 13.901 1.00 0.00 C ATOM 1739 OG SER A 112 9.467 -4.441 13.387 1.00 0.00 O ATOM 0 H SER A 112 7.472 -5.817 12.239 1.00 0.00 H new ATOM 0 HA SER A 112 8.027 -5.967 15.014 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.610 -3.585 13.153 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.282 -3.482 14.769 1.00 0.00 H new ATOM 0 HG SER A 112 9.391 -4.683 12.440 1.00 0.00 H new ATOM 1745 N GLY A 113 5.106 -4.730 14.129 1.00 0.00 N ATOM 1746 CA GLY A 113 3.800 -4.367 14.648 1.00 0.00 C ATOM 1747 C GLY A 113 3.490 -2.895 14.460 1.00 0.00 C ATOM 1748 O GLY A 113 2.828 -2.281 15.295 1.00 0.00 O ATOM 0 H GLY A 113 5.180 -4.723 13.112 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.036 -4.963 14.149 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.753 -4.612 15.709 1.00 0.00 H new ATOM 1752 N GLY A 114 3.973 -2.326 13.359 1.00 0.00 N ATOM 1753 CA GLY A 114 3.735 -0.920 13.085 1.00 0.00 C ATOM 1754 C GLY A 114 4.681 -0.013 13.846 1.00 0.00 C ATOM 1755 O GLY A 114 4.266 1.010 14.389 1.00 0.00 O ATOM 0 H GLY A 114 4.524 -2.813 12.652 1.00 0.00 H new ATOM 0 HA2 GLY A 114 3.843 -0.738 12.016 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.707 -0.671 13.348 1.00 0.00 H new