USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=18 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 77:sc= 0.00187 USER MOD Set 1.2: A 107 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.37!) USER MOD Set 2.1: A 37 CYS SG : rot 140:sc= 1.07 USER MOD Set 2.2: A 40 CYS SG : rot 83:sc= -0.119 USER MOD Set 3.1: A 27 ASN : amide:sc= -0.726 X(o=-2.2,f=-2.6) USER MOD Set 3.2: A 59 ASN : amide:sc= -1.48! C(o=-2.2!,f=-4.4!) 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= -4.14! C(o=-4.1!,f=-5.8!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 0.622 (180deg=0.62) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -0.523 X(o=-0.52,f=-0.046) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00324 K(o=-0.0032,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.194 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -5! C(o=-5!,f=-9.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -156:sc= -0.0524 (180deg=-0.957) USER MOD Single : A 67 SER OG : rot -39:sc= 0 USER MOD Single : A 68 THR OG1 : rot -59:sc= -0.824 USER MOD Single : A 70 ASN : amide:sc= -0.231 X(o=-0.23,f=-0.65) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= 0.00413 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 85:sc= 0.875 USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0518) USER MOD Single : A 93 THR OG1 : rot 22:sc= 0.0866 USER MOD Single : A 97 TYR OH : rot -103:sc= 0.321 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 102 THR OG1 : rot -159:sc= 0.883 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 87:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -4.983 -13.117 -2.553 1.00 0.00 N ATOM 67 CA PRO A 8 -3.797 -12.843 -1.736 1.00 0.00 C ATOM 68 C PRO A 8 -3.977 -11.618 -0.846 1.00 0.00 C ATOM 69 O PRO A 8 -3.699 -11.664 0.353 1.00 0.00 O ATOM 70 CB PRO A 8 -2.701 -12.592 -2.776 1.00 0.00 C ATOM 71 CG PRO A 8 -3.430 -12.128 -3.989 1.00 0.00 C ATOM 72 CD PRO A 8 -4.749 -12.850 -3.982 1.00 0.00 C ATOM 0 HA PRO A 8 -3.575 -13.662 -1.051 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.991 -11.841 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.132 -13.499 -2.979 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.576 -11.048 -3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.866 -12.355 -4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.543 -12.240 -4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.706 -13.772 -4.561 1.00 0.00 H new ATOM 80 N VAL A 9 -4.444 -10.524 -1.439 1.00 0.00 N ATOM 81 CA VAL A 9 -4.662 -9.287 -0.699 1.00 0.00 C ATOM 82 C VAL A 9 -6.122 -8.854 -0.771 1.00 0.00 C ATOM 83 O VAL A 9 -6.722 -8.830 -1.846 1.00 0.00 O ATOM 84 CB VAL A 9 -3.773 -8.149 -1.233 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.667 -8.220 -2.749 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.316 -6.798 -0.791 1.00 0.00 C ATOM 0 H VAL A 9 -4.679 -10.469 -2.430 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.396 -9.488 0.339 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.772 -8.267 -0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.035 -7.408 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.230 -9.175 -3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.660 -8.128 -3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.676 -6.005 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.327 -6.668 -1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.334 -6.752 0.298 1.00 0.00 H new ATOM 96 N LYS A 10 -6.690 -8.511 0.380 1.00 0.00 N ATOM 97 CA LYS A 10 -8.080 -8.076 0.449 1.00 0.00 C ATOM 98 C LYS A 10 -8.268 -6.740 -0.262 1.00 0.00 C ATOM 99 O LYS A 10 -7.357 -5.912 -0.301 1.00 0.00 O ATOM 100 CB LYS A 10 -8.527 -7.957 1.908 1.00 0.00 C ATOM 101 CG LYS A 10 -9.968 -8.377 2.139 1.00 0.00 C ATOM 102 CD LYS A 10 -10.922 -7.204 1.985 1.00 0.00 C ATOM 103 CE LYS A 10 -12.339 -7.582 2.390 1.00 0.00 C ATOM 104 NZ LYS A 10 -13.061 -8.283 1.293 1.00 0.00 N ATOM 0 H LYS A 10 -6.208 -8.526 1.279 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.694 -8.824 -0.053 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.875 -8.570 2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.401 -6.925 2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.237 -9.161 1.432 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.069 -8.800 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.577 -6.370 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.917 -6.863 0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.306 -8.223 3.271 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.889 -6.683 2.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.022 -8.524 1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.115 -7.662 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.551 -9.154 1.043 1.00 0.00 H new ATOM 118 N VAL A 11 -9.455 -6.534 -0.823 1.00 0.00 N ATOM 119 CA VAL A 11 -9.763 -5.297 -1.530 1.00 0.00 C ATOM 120 C VAL A 11 -10.820 -4.488 -0.787 1.00 0.00 C ATOM 121 O VAL A 11 -11.977 -4.899 -0.687 1.00 0.00 O ATOM 122 CB VAL A 11 -10.260 -5.578 -2.961 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.555 -4.275 -3.689 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.238 -6.406 -3.726 1.00 0.00 C ATOM 0 H VAL A 11 -10.220 -7.209 -0.801 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.838 -4.722 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.186 -6.150 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.905 -4.493 -4.698 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.325 -3.723 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.647 -3.674 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.605 -6.595 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.295 -5.862 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.081 -7.355 -3.213 1.00 0.00 H new ATOM 134 N LEU A 12 -10.416 -3.334 -0.267 1.00 0.00 N ATOM 135 CA LEU A 12 -11.328 -2.465 0.468 1.00 0.00 C ATOM 136 C LEU A 12 -12.034 -1.495 -0.475 1.00 0.00 C ATOM 137 O LEU A 12 -11.482 -1.099 -1.502 1.00 0.00 O ATOM 138 CB LEU A 12 -10.568 -1.687 1.543 1.00 0.00 C ATOM 139 CG LEU A 12 -9.641 -2.510 2.438 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.716 -1.599 3.230 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.452 -3.394 3.375 1.00 0.00 C ATOM 0 H LEU A 12 -9.463 -2.979 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.081 -3.091 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.975 -0.914 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.294 -1.178 2.177 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.029 -3.151 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.064 -2.203 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.111 -1.009 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.310 -0.932 3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.776 -3.973 4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.089 -2.771 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.072 -4.072 2.789 1.00 0.00 H new ATOM 153 N VAL A 13 -13.256 -1.114 -0.118 1.00 0.00 N ATOM 154 CA VAL A 13 -14.036 -0.187 -0.930 1.00 0.00 C ATOM 155 C VAL A 13 -14.535 0.988 -0.097 1.00 0.00 C ATOM 156 O VAL A 13 -14.607 0.907 1.129 1.00 0.00 O ATOM 157 CB VAL A 13 -15.242 -0.890 -1.581 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.781 -1.827 -2.687 1.00 0.00 C ATOM 159 CG2 VAL A 13 -16.048 -1.643 -0.534 1.00 0.00 C ATOM 0 H VAL A 13 -13.728 -1.433 0.728 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.374 0.183 -1.713 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.886 -0.132 -2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.647 -2.315 -3.135 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.251 -1.257 -3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -14.115 -2.582 -2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.896 -2.134 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.416 -2.393 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.410 -0.943 0.219 1.00 0.00 H new ATOM 169 N GLY A 14 -14.879 2.081 -0.771 1.00 0.00 N ATOM 170 CA GLY A 14 -15.368 3.258 -0.077 1.00 0.00 C ATOM 171 C GLY A 14 -16.688 3.010 0.627 1.00 0.00 C ATOM 172 O GLY A 14 -17.182 3.869 1.357 1.00 0.00 O ATOM 0 H GLY A 14 -14.828 2.172 -1.786 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.625 3.580 0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.488 4.073 -0.791 1.00 0.00 H new ATOM 176 N LYS A 15 -17.262 1.832 0.406 1.00 0.00 N ATOM 177 CA LYS A 15 -18.533 1.472 1.023 1.00 0.00 C ATOM 178 C LYS A 15 -18.308 0.737 2.341 1.00 0.00 C ATOM 179 O LYS A 15 -18.979 1.008 3.336 1.00 0.00 O ATOM 180 CB LYS A 15 -19.356 0.599 0.074 1.00 0.00 C ATOM 181 CG LYS A 15 -20.776 0.353 0.551 1.00 0.00 C ATOM 182 CD LYS A 15 -21.700 0.005 -0.604 1.00 0.00 C ATOM 183 CE LYS A 15 -21.721 -1.493 -0.870 1.00 0.00 C ATOM 184 NZ LYS A 15 -22.771 -1.867 -1.857 1.00 0.00 N ATOM 0 H LYS A 15 -16.867 1.110 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 15 -19.082 2.391 1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.388 1.074 -0.907 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.853 -0.360 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.781 -0.458 1.279 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.148 1.241 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -22.709 0.350 -0.380 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -21.375 0.530 -1.502 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.746 -1.810 -1.240 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.896 -2.025 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.753 -2.895 -2.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -23.705 -1.588 -1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.590 -1.379 -2.758 1.00 0.00 H new ATOM 198 N ASN A 16 -17.360 -0.194 2.340 1.00 0.00 N ATOM 199 CA ASN A 16 -17.047 -0.968 3.536 1.00 0.00 C ATOM 200 C ASN A 16 -15.541 -1.004 3.782 1.00 0.00 C ATOM 201 O ASN A 16 -14.989 -2.037 4.162 1.00 0.00 O ATOM 202 CB ASN A 16 -17.588 -2.393 3.403 1.00 0.00 C ATOM 203 CG ASN A 16 -16.894 -3.175 2.305 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.339 -3.183 1.157 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.797 -3.837 2.653 1.00 0.00 N ATOM 0 H ASN A 16 -16.795 -0.431 1.525 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.525 -0.484 4.388 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.464 -2.916 4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.658 -2.355 3.198 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.287 -4.381 1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.464 -3.802 3.617 1.00 0.00 H new ATOM 212 N PHE A 17 -14.884 0.130 3.563 1.00 0.00 N ATOM 213 CA PHE A 17 -13.443 0.228 3.760 1.00 0.00 C ATOM 214 C PHE A 17 -13.091 0.165 5.244 1.00 0.00 C ATOM 215 O PHE A 17 -12.483 -0.798 5.707 1.00 0.00 O ATOM 216 CB PHE A 17 -12.911 1.527 3.152 1.00 0.00 C ATOM 217 CG PHE A 17 -11.688 2.057 3.846 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.493 1.357 3.803 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.734 3.255 4.541 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.367 1.842 4.441 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.611 3.745 5.180 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.426 3.038 5.129 1.00 0.00 C ATOM 0 H PHE A 17 -15.327 0.994 3.249 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.974 -0.618 3.258 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.678 1.358 2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.695 2.283 3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.441 0.422 3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.658 3.812 4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.442 1.286 4.402 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.660 4.680 5.719 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.547 3.420 5.626 1.00 0.00 H new ATOM 232 N GLU A 18 -13.478 1.201 5.981 1.00 0.00 N ATOM 233 CA GLU A 18 -13.203 1.265 7.412 1.00 0.00 C ATOM 234 C GLU A 18 -13.766 0.042 8.129 1.00 0.00 C ATOM 235 O GLU A 18 -13.185 -0.444 9.100 1.00 0.00 O ATOM 236 CB GLU A 18 -13.797 2.541 8.012 1.00 0.00 C ATOM 237 CG GLU A 18 -13.046 3.803 7.623 1.00 0.00 C ATOM 238 CD GLU A 18 -13.853 5.062 7.874 1.00 0.00 C ATOM 239 OE1 GLU A 18 -14.183 5.333 9.047 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.155 5.777 6.895 1.00 0.00 O ATOM 0 H GLU A 18 -13.982 2.007 5.612 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.122 1.278 7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.835 2.633 7.693 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.804 2.453 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.114 3.855 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.779 3.752 6.568 1.00 0.00 H new ATOM 247 N ASP A 19 -14.901 -0.450 7.645 1.00 0.00 N ATOM 248 CA ASP A 19 -15.544 -1.617 8.239 1.00 0.00 C ATOM 249 C ASP A 19 -14.592 -2.809 8.262 1.00 0.00 C ATOM 250 O ASP A 19 -14.617 -3.618 9.189 1.00 0.00 O ATOM 251 CB ASP A 19 -16.813 -1.976 7.464 1.00 0.00 C ATOM 252 CG ASP A 19 -17.872 -2.607 8.347 1.00 0.00 C ATOM 253 OD1 ASP A 19 -18.515 -1.868 9.120 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.055 -3.840 8.265 1.00 0.00 O ATOM 0 H ASP A 19 -15.395 -0.059 6.843 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.813 -1.370 9.266 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.219 -1.077 7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.560 -2.664 6.657 1.00 0.00 H new ATOM 259 N VAL A 20 -13.755 -2.911 7.235 1.00 0.00 N ATOM 260 CA VAL A 20 -12.795 -4.004 7.137 1.00 0.00 C ATOM 261 C VAL A 20 -11.414 -3.566 7.610 1.00 0.00 C ATOM 262 O VAL A 20 -10.846 -4.153 8.530 1.00 0.00 O ATOM 263 CB VAL A 20 -12.689 -4.530 5.693 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.582 -5.568 5.583 1.00 0.00 C ATOM 265 CG2 VAL A 20 -14.020 -5.109 5.238 1.00 0.00 C ATOM 0 H VAL A 20 -13.722 -2.250 6.459 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.159 -4.804 7.781 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.439 -3.695 5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.522 -5.928 4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.631 -5.117 5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.799 -6.404 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.927 -5.476 4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.302 -5.932 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.786 -4.335 5.277 1.00 0.00 H new ATOM 275 N ALA A 21 -10.878 -2.530 6.973 1.00 0.00 N ATOM 276 CA ALA A 21 -9.563 -2.010 7.330 1.00 0.00 C ATOM 277 C ALA A 21 -9.410 -1.896 8.843 1.00 0.00 C ATOM 278 O ALA A 21 -8.535 -2.525 9.438 1.00 0.00 O ATOM 279 CB ALA A 21 -9.333 -0.659 6.671 1.00 0.00 C ATOM 0 H ALA A 21 -11.334 -2.034 6.207 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.812 -2.711 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.348 -0.283 6.946 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.390 -0.768 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.096 0.044 7.006 1.00 0.00 H new ATOM 285 N PHE A 22 -10.267 -1.090 9.461 1.00 0.00 N ATOM 286 CA PHE A 22 -10.226 -0.892 10.905 1.00 0.00 C ATOM 287 C PHE A 22 -10.859 -2.074 11.634 1.00 0.00 C ATOM 288 O PHE A 22 -12.076 -2.257 11.602 1.00 0.00 O ATOM 289 CB PHE A 22 -10.948 0.402 11.284 1.00 0.00 C ATOM 290 CG PHE A 22 -10.178 1.643 10.934 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.919 1.867 11.466 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.714 2.586 10.071 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.209 3.008 11.145 1.00 0.00 C ATOM 294 CE2 PHE A 22 -10.008 3.729 9.746 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.753 3.940 10.283 1.00 0.00 C ATOM 0 H PHE A 22 -10.999 -0.563 8.984 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.181 -0.819 11.207 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.915 0.430 10.781 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.146 0.397 12.356 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.487 1.141 12.139 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.695 2.426 9.648 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.229 3.171 11.568 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.437 4.456 9.073 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.199 4.831 10.029 1.00 0.00 H new ATOM 305 N ASP A 23 -10.025 -2.872 12.290 1.00 0.00 N ATOM 306 CA ASP A 23 -10.501 -4.037 13.027 1.00 0.00 C ATOM 307 C ASP A 23 -9.661 -4.268 14.279 1.00 0.00 C ATOM 308 O ASP A 23 -8.456 -4.500 14.194 1.00 0.00 O ATOM 309 CB ASP A 23 -10.467 -5.280 12.138 1.00 0.00 C ATOM 310 CG ASP A 23 -9.225 -5.337 11.271 1.00 0.00 C ATOM 311 OD1 ASP A 23 -8.164 -4.858 11.722 1.00 0.00 O ATOM 312 OD2 ASP A 23 -9.313 -5.861 10.140 1.00 0.00 O ATOM 0 H ASP A 23 -9.015 -2.734 12.327 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.530 -3.847 13.332 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.511 -6.172 12.763 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.352 -5.292 11.502 1.00 0.00 H new ATOM 317 N GLU A 24 -10.306 -4.202 15.440 1.00 0.00 N ATOM 318 CA GLU A 24 -9.617 -4.403 16.709 1.00 0.00 C ATOM 319 C GLU A 24 -8.921 -5.761 16.741 1.00 0.00 C ATOM 320 O GLU A 24 -9.374 -6.719 16.114 1.00 0.00 O ATOM 321 CB GLU A 24 -10.603 -4.294 17.873 1.00 0.00 C ATOM 322 CG GLU A 24 -10.012 -4.705 19.212 1.00 0.00 C ATOM 323 CD GLU A 24 -10.879 -4.289 20.384 1.00 0.00 C ATOM 324 OE1 GLU A 24 -11.869 -4.995 20.671 1.00 0.00 O ATOM 325 OE2 GLU A 24 -10.568 -3.258 21.016 1.00 0.00 O ATOM 0 H GLU A 24 -11.304 -4.011 15.527 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.861 -3.625 16.810 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.958 -3.266 17.942 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.472 -4.918 17.662 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.879 -5.787 19.229 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.023 -4.260 19.320 1.00 0.00 H new ATOM 332 N LYS A 25 -7.817 -5.836 17.477 1.00 0.00 N ATOM 333 CA LYS A 25 -7.058 -7.075 17.593 1.00 0.00 C ATOM 334 C LYS A 25 -6.682 -7.614 16.217 1.00 0.00 C ATOM 335 O LYS A 25 -6.609 -8.826 16.012 1.00 0.00 O ATOM 336 CB LYS A 25 -7.867 -8.123 18.360 1.00 0.00 C ATOM 337 CG LYS A 25 -7.959 -7.850 19.851 1.00 0.00 C ATOM 338 CD LYS A 25 -6.718 -8.333 20.584 1.00 0.00 C ATOM 339 CE LYS A 25 -6.830 -8.101 22.083 1.00 0.00 C ATOM 340 NZ LYS A 25 -6.581 -6.678 22.444 1.00 0.00 N ATOM 0 H LYS A 25 -7.428 -5.053 18.002 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.141 -6.860 18.142 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.874 -8.168 17.945 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.415 -9.103 18.206 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.089 -6.781 20.019 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.840 -8.346 20.259 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.570 -9.395 20.389 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.841 -7.813 20.199 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.824 -8.393 22.422 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.115 -8.738 22.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.667 -6.561 23.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.623 -6.406 22.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.279 -6.072 21.968 1.00 0.00 H new ATOM 354 N LYS A 26 -6.443 -6.707 15.276 1.00 0.00 N ATOM 355 CA LYS A 26 -6.072 -7.091 13.919 1.00 0.00 C ATOM 356 C LYS A 26 -5.283 -5.979 13.236 1.00 0.00 C ATOM 357 O LYS A 26 -5.784 -4.869 13.057 1.00 0.00 O ATOM 358 CB LYS A 26 -7.322 -7.422 13.101 1.00 0.00 C ATOM 359 CG LYS A 26 -7.057 -7.547 11.610 1.00 0.00 C ATOM 360 CD LYS A 26 -6.568 -8.938 11.246 1.00 0.00 C ATOM 361 CE LYS A 26 -7.697 -9.956 11.289 1.00 0.00 C ATOM 362 NZ LYS A 26 -7.186 -11.354 11.259 1.00 0.00 N ATOM 0 H LYS A 26 -6.500 -5.700 15.428 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.440 -7.977 13.978 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.748 -8.357 13.466 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.070 -6.646 13.265 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.970 -7.325 11.057 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.314 -6.809 11.308 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.130 -8.921 10.248 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.779 -9.239 11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.288 -9.805 12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.363 -9.795 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.985 -12.017 11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.672 -11.517 10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.544 -11.506 12.063 1.00 0.00 H new ATOM 376 N ASN A 27 -4.047 -6.284 12.854 1.00 0.00 N ATOM 377 CA ASN A 27 -3.190 -5.310 12.189 1.00 0.00 C ATOM 378 C ASN A 27 -3.372 -5.369 10.675 1.00 0.00 C ATOM 379 O ASN A 27 -2.795 -6.225 10.003 1.00 0.00 O ATOM 380 CB ASN A 27 -1.724 -5.560 12.548 1.00 0.00 C ATOM 381 CG ASN A 27 -1.507 -5.674 14.044 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.252 -4.678 14.723 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.606 -6.891 14.566 1.00 0.00 N ATOM 0 H ASN A 27 -3.617 -7.198 12.994 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.477 -4.316 12.533 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.385 -6.476 12.064 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.113 -4.747 12.156 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.469 -7.029 15.567 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.819 -7.688 13.966 1.00 0.00 H new ATOM 390 N VAL A 28 -4.176 -4.454 10.145 1.00 0.00 N ATOM 391 CA VAL A 28 -4.433 -4.400 8.710 1.00 0.00 C ATOM 392 C VAL A 28 -3.569 -3.340 8.037 1.00 0.00 C ATOM 393 O VAL A 28 -3.501 -2.198 8.491 1.00 0.00 O ATOM 394 CB VAL A 28 -5.915 -4.102 8.416 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.153 -4.005 6.917 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.806 -5.166 9.038 1.00 0.00 C ATOM 0 H VAL A 28 -4.661 -3.739 10.687 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.181 -5.380 8.306 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.170 -3.141 8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.206 -3.794 6.729 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.542 -3.203 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.882 -4.949 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.850 -4.939 8.820 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.552 -6.141 8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.656 -5.181 10.117 1.00 0.00 H new ATOM 406 N PHE A 29 -2.909 -3.726 6.949 1.00 0.00 N ATOM 407 CA PHE A 29 -2.048 -2.809 6.212 1.00 0.00 C ATOM 408 C PHE A 29 -2.673 -2.435 4.871 1.00 0.00 C ATOM 409 O PHE A 29 -2.598 -3.195 3.906 1.00 0.00 O ATOM 410 CB PHE A 29 -0.671 -3.437 5.988 1.00 0.00 C ATOM 411 CG PHE A 29 0.322 -2.499 5.363 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.090 -1.133 5.348 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.487 -2.983 4.791 1.00 0.00 C ATOM 414 CE1 PHE A 29 1.001 -0.267 4.774 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.403 -2.122 4.216 1.00 0.00 C ATOM 416 CZ PHE A 29 2.159 -0.762 4.206 1.00 0.00 C ATOM 0 H PHE A 29 -2.954 -4.667 6.559 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.934 -1.902 6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.279 -3.784 6.944 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.780 -4.315 5.351 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.814 -0.740 5.790 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.682 -4.045 4.794 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.808 0.796 4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.308 -2.512 3.775 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.872 -0.088 3.755 1.00 0.00 H new ATOM 426 N VAL A 30 -3.290 -1.258 4.820 1.00 0.00 N ATOM 427 CA VAL A 30 -3.928 -0.782 3.599 1.00 0.00 C ATOM 428 C VAL A 30 -2.912 -0.133 2.665 1.00 0.00 C ATOM 429 O VAL A 30 -1.854 0.318 3.102 1.00 0.00 O ATOM 430 CB VAL A 30 -5.046 0.231 3.908 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.885 0.495 2.667 1.00 0.00 C ATOM 432 CG2 VAL A 30 -5.914 -0.267 5.053 1.00 0.00 C ATOM 0 H VAL A 30 -3.361 -0.617 5.610 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.363 -1.653 3.109 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.587 1.171 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.670 1.213 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.251 0.899 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.337 -0.437 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.699 0.461 5.258 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.366 -1.220 4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.300 -0.399 5.944 1.00 0.00 H new ATOM 442 N GLU A 31 -3.243 -0.089 1.379 1.00 0.00 N ATOM 443 CA GLU A 31 -2.358 0.505 0.383 1.00 0.00 C ATOM 444 C GLU A 31 -3.153 1.318 -0.635 1.00 0.00 C ATOM 445 O GLU A 31 -3.834 0.760 -1.496 1.00 0.00 O ATOM 446 CB GLU A 31 -1.555 -0.583 -0.332 1.00 0.00 C ATOM 447 CG GLU A 31 -1.028 -0.156 -1.692 1.00 0.00 C ATOM 448 CD GLU A 31 -0.450 -1.314 -2.483 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.217 -1.970 -3.219 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.768 -1.563 -2.367 1.00 0.00 O ATOM 0 H GLU A 31 -4.116 -0.457 1.002 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.670 1.174 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.715 -0.876 0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.184 -1.465 -0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.836 0.302 -2.263 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.261 0.606 -1.557 1.00 0.00 H new ATOM 457 N PHE A 32 -3.062 2.639 -0.529 1.00 0.00 N ATOM 458 CA PHE A 32 -3.773 3.530 -1.439 1.00 0.00 C ATOM 459 C PHE A 32 -2.983 3.735 -2.728 1.00 0.00 C ATOM 460 O PHE A 32 -2.069 4.558 -2.785 1.00 0.00 O ATOM 461 CB PHE A 32 -4.032 4.880 -0.766 1.00 0.00 C ATOM 462 CG PHE A 32 -4.901 4.784 0.455 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.281 4.823 0.344 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.337 4.656 1.715 1.00 0.00 C ATOM 465 CE1 PHE A 32 -7.084 4.735 1.466 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.135 4.567 2.840 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.510 4.608 2.715 1.00 0.00 C ATOM 0 H PHE A 32 -2.503 3.117 0.178 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.728 3.067 -1.689 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.078 5.328 -0.489 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.502 5.551 -1.485 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.735 4.923 -0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.262 4.625 1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.159 4.766 1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.684 4.465 3.816 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.135 4.541 3.593 1.00 0.00 H new ATOM 477 N TYR A 33 -3.341 2.979 -3.760 1.00 0.00 N ATOM 478 CA TYR A 33 -2.665 3.075 -5.048 1.00 0.00 C ATOM 479 C TYR A 33 -3.503 3.868 -6.046 1.00 0.00 C ATOM 480 O TYR A 33 -4.643 4.235 -5.763 1.00 0.00 O ATOM 481 CB TYR A 33 -2.379 1.678 -5.602 1.00 0.00 C ATOM 482 CG TYR A 33 -3.625 0.907 -5.973 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.329 1.202 -7.134 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.098 -0.118 -5.163 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.469 0.500 -7.477 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.236 -0.826 -5.498 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.918 -0.513 -6.656 1.00 0.00 C ATOM 488 OH TYR A 33 -7.052 -1.215 -6.994 1.00 0.00 O ATOM 0 H TYR A 33 -4.095 2.293 -3.730 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.722 3.599 -4.896 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.743 1.769 -6.482 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.818 1.110 -4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.979 1.994 -7.780 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.567 -0.366 -4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.005 0.743 -8.383 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.590 -1.620 -4.857 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.232 -1.895 -6.311 1.00 0.00 H new ATOM 498 N ALA A 34 -2.928 4.128 -7.216 1.00 0.00 N ATOM 499 CA ALA A 34 -3.622 4.875 -8.258 1.00 0.00 C ATOM 500 C ALA A 34 -3.583 4.129 -9.587 1.00 0.00 C ATOM 501 O ALA A 34 -2.552 3.593 -9.996 1.00 0.00 O ATOM 502 CB ALA A 34 -3.010 6.260 -8.410 1.00 0.00 C ATOM 0 H ALA A 34 -1.984 3.833 -7.466 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.666 4.981 -7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.538 6.807 -9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.095 6.801 -7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.958 6.165 -8.680 1.00 0.00 H new ATOM 508 N PRO A 35 -4.731 4.090 -10.279 1.00 0.00 N ATOM 509 CA PRO A 35 -4.853 3.411 -11.573 1.00 0.00 C ATOM 510 C PRO A 35 -4.096 4.135 -12.681 1.00 0.00 C ATOM 511 O PRO A 35 -4.027 3.656 -13.813 1.00 0.00 O ATOM 512 CB PRO A 35 -6.359 3.439 -11.847 1.00 0.00 C ATOM 513 CG PRO A 35 -6.862 4.613 -11.080 1.00 0.00 C ATOM 514 CD PRO A 35 -5.998 4.706 -9.852 1.00 0.00 C ATOM 0 HA PRO A 35 -4.429 2.407 -11.549 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.566 3.544 -12.912 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.838 2.517 -11.519 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.796 5.525 -11.674 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.910 4.483 -10.811 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.856 5.740 -9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.439 4.174 -9.009 1.00 0.00 H new ATOM 522 N TRP A 36 -3.531 5.289 -12.348 1.00 0.00 N ATOM 523 CA TRP A 36 -2.778 6.079 -13.316 1.00 0.00 C ATOM 524 C TRP A 36 -1.336 6.269 -12.860 1.00 0.00 C ATOM 525 O TRP A 36 -0.407 6.216 -13.667 1.00 0.00 O ATOM 526 CB TRP A 36 -3.444 7.440 -13.524 1.00 0.00 C ATOM 527 CG TRP A 36 -4.205 7.918 -12.324 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.527 7.706 -12.054 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.689 8.689 -11.234 1.00 0.00 C ATOM 530 NE1 TRP A 36 -5.864 8.300 -10.862 1.00 0.00 N ATOM 531 CE2 TRP A 36 -4.754 8.909 -10.338 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.431 9.214 -10.926 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.597 9.631 -9.159 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.277 9.931 -9.755 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.355 10.133 -8.882 1.00 0.00 C ATOM 0 H TRP A 36 -3.580 5.699 -11.415 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.772 5.538 -14.262 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.680 8.175 -13.778 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.122 7.378 -14.375 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.207 7.153 -12.685 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.791 8.289 -10.436 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.594 9.062 -11.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.427 9.790 -8.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.310 10.343 -9.508 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.202 10.696 -7.973 1.00 0.00 H new ATOM 546 N CYS A 37 -1.155 6.491 -11.562 1.00 0.00 N ATOM 547 CA CYS A 37 0.176 6.690 -10.999 1.00 0.00 C ATOM 548 C CYS A 37 1.137 5.607 -11.479 1.00 0.00 C ATOM 549 O CYS A 37 0.874 4.416 -11.323 1.00 0.00 O ATOM 550 CB CYS A 37 0.110 6.690 -9.471 1.00 0.00 C ATOM 551 SG CYS A 37 1.703 6.977 -8.664 1.00 0.00 S ATOM 0 H CYS A 37 -1.913 6.538 -10.881 1.00 0.00 H new ATOM 0 HA CYS A 37 0.548 7.656 -11.340 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.592 7.458 -9.148 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.288 5.733 -9.135 1.00 0.00 H new ATOM 0 HG CYS A 37 1.535 7.756 -7.637 1.00 0.00 H new ATOM 557 N GLY A 38 2.253 6.031 -12.065 1.00 0.00 N ATOM 558 CA GLY A 38 3.235 5.085 -12.561 1.00 0.00 C ATOM 559 C GLY A 38 3.842 4.246 -11.454 1.00 0.00 C ATOM 560 O GLY A 38 3.719 3.020 -11.456 1.00 0.00 O ATOM 0 H GLY A 38 2.494 7.012 -12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.765 4.429 -13.294 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.027 5.626 -13.079 1.00 0.00 H new ATOM 564 N HIS A 39 4.500 4.905 -10.506 1.00 0.00 N ATOM 565 CA HIS A 39 5.129 4.211 -9.388 1.00 0.00 C ATOM 566 C HIS A 39 4.181 3.177 -8.787 1.00 0.00 C ATOM 567 O HIS A 39 4.607 2.102 -8.365 1.00 0.00 O ATOM 568 CB HIS A 39 5.557 5.212 -8.314 1.00 0.00 C ATOM 569 CG HIS A 39 6.437 6.307 -8.833 1.00 0.00 C ATOM 570 ND1 HIS A 39 7.814 6.250 -8.791 1.00 0.00 N ATOM 571 CD2 HIS A 39 6.128 7.492 -9.409 1.00 0.00 C ATOM 572 CE1 HIS A 39 8.315 7.353 -9.317 1.00 0.00 C ATOM 573 NE2 HIS A 39 7.313 8.124 -9.701 1.00 0.00 N ATOM 0 H HIS A 39 4.612 5.919 -10.490 1.00 0.00 H new ATOM 0 HA HIS A 39 6.011 3.694 -9.764 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.667 5.654 -7.865 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.083 4.679 -7.521 1.00 0.00 H new ATOM 0 HD2 HIS A 39 5.135 7.870 -9.603 1.00 0.00 H new ATOM 0 HE1 HIS A 39 9.365 7.585 -9.416 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.404 9.039 -10.142 1.00 0.00 H new ATOM 582 N CYS A 40 2.896 3.510 -8.753 1.00 0.00 N ATOM 583 CA CYS A 40 1.887 2.611 -8.202 1.00 0.00 C ATOM 584 C CYS A 40 1.773 1.343 -9.043 1.00 0.00 C ATOM 585 O CYS A 40 1.731 0.234 -8.511 1.00 0.00 O ATOM 586 CB CYS A 40 0.531 3.314 -8.131 1.00 0.00 C ATOM 587 SG CYS A 40 0.398 4.526 -6.795 1.00 0.00 S ATOM 0 H CYS A 40 2.527 4.395 -9.100 1.00 0.00 H new ATOM 0 HA CYS A 40 2.195 2.332 -7.195 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.343 3.814 -9.081 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.249 2.563 -8.006 1.00 0.00 H new ATOM 0 HG CYS A 40 0.928 5.651 -7.175 1.00 0.00 H new ATOM 593 N LYS A 41 1.720 1.515 -10.359 1.00 0.00 N ATOM 594 CA LYS A 41 1.610 0.386 -11.275 1.00 0.00 C ATOM 595 C LYS A 41 2.670 -0.667 -10.971 1.00 0.00 C ATOM 596 O LYS A 41 2.495 -1.844 -11.283 1.00 0.00 O ATOM 597 CB LYS A 41 1.748 0.862 -12.723 1.00 0.00 C ATOM 598 CG LYS A 41 0.470 1.450 -13.295 1.00 0.00 C ATOM 599 CD LYS A 41 0.706 2.076 -14.660 1.00 0.00 C ATOM 600 CE LYS A 41 -0.605 2.368 -15.373 1.00 0.00 C ATOM 601 NZ LYS A 41 -0.383 2.889 -16.751 1.00 0.00 N ATOM 0 H LYS A 41 1.751 2.426 -10.816 1.00 0.00 H new ATOM 0 HA LYS A 41 0.627 -0.065 -11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.538 1.611 -12.777 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.062 0.023 -13.344 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.286 0.669 -13.378 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.077 2.203 -12.612 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.272 3.000 -14.545 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.311 1.405 -15.269 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.203 1.458 -15.421 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.177 3.096 -14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.301 3.076 -17.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.166 3.771 -16.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.141 2.184 -17.308 1.00 0.00 H new ATOM 615 N GLN A 42 3.769 -0.235 -10.360 1.00 0.00 N ATOM 616 CA GLN A 42 4.856 -1.142 -10.014 1.00 0.00 C ATOM 617 C GLN A 42 4.609 -1.796 -8.659 1.00 0.00 C ATOM 618 O GLN A 42 5.144 -2.867 -8.367 1.00 0.00 O ATOM 619 CB GLN A 42 6.189 -0.391 -9.996 1.00 0.00 C ATOM 620 CG GLN A 42 6.544 0.251 -11.327 1.00 0.00 C ATOM 621 CD GLN A 42 7.758 1.154 -11.234 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.191 1.522 -10.141 1.00 0.00 O ATOM 623 NE2 GLN A 42 8.316 1.516 -12.383 1.00 0.00 N ATOM 0 H GLN A 42 3.929 0.737 -10.095 1.00 0.00 H new ATOM 0 HA GLN A 42 4.898 -1.924 -10.772 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.151 0.382 -9.228 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.982 -1.083 -9.713 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.732 -0.530 -12.064 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.692 0.829 -11.686 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.924 1.188 -13.266 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.136 2.122 -12.383 1.00 0.00 H new ATOM 632 N LEU A 43 3.796 -1.146 -7.833 1.00 0.00 N ATOM 633 CA LEU A 43 3.477 -1.664 -6.507 1.00 0.00 C ATOM 634 C LEU A 43 2.358 -2.698 -6.581 1.00 0.00 C ATOM 635 O LEU A 43 2.151 -3.471 -5.647 1.00 0.00 O ATOM 636 CB LEU A 43 3.072 -0.521 -5.575 1.00 0.00 C ATOM 637 CG LEU A 43 3.221 -0.791 -4.078 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.690 -0.915 -3.702 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.552 0.310 -3.268 1.00 0.00 C ATOM 0 H LEU A 43 3.346 -0.259 -8.058 1.00 0.00 H new ATOM 0 HA LEU A 43 4.368 -2.149 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.669 0.355 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.031 -0.266 -5.776 1.00 0.00 H new ATOM 0 HG LEU A 43 2.727 -1.735 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.777 -1.107 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.139 -1.739 -4.256 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.208 0.012 -3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.668 0.101 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.017 1.268 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.491 0.351 -3.516 1.00 0.00 H new ATOM 651 N ALA A 44 1.640 -2.706 -7.699 1.00 0.00 N ATOM 652 CA ALA A 44 0.544 -3.647 -7.897 1.00 0.00 C ATOM 653 C ALA A 44 0.988 -5.076 -7.602 1.00 0.00 C ATOM 654 O ALA A 44 0.379 -5.788 -6.804 1.00 0.00 O ATOM 655 CB ALA A 44 0.007 -3.541 -9.317 1.00 0.00 C ATOM 0 H ALA A 44 1.797 -2.071 -8.482 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.253 -3.391 -7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.811 -4.249 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.357 -2.529 -9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.804 -3.769 -10.025 1.00 0.00 H new ATOM 661 N PRO A 45 2.074 -5.507 -8.261 1.00 0.00 N ATOM 662 CA PRO A 45 2.623 -6.855 -8.086 1.00 0.00 C ATOM 663 C PRO A 45 3.258 -7.048 -6.713 1.00 0.00 C ATOM 664 O PRO A 45 2.951 -8.008 -6.007 1.00 0.00 O ATOM 665 CB PRO A 45 3.684 -6.951 -9.185 1.00 0.00 C ATOM 666 CG PRO A 45 4.084 -5.541 -9.450 1.00 0.00 C ATOM 667 CD PRO A 45 2.850 -4.711 -9.227 1.00 0.00 C ATOM 0 HA PRO A 45 1.851 -7.622 -8.152 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.535 -7.550 -8.862 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.283 -7.424 -10.082 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.888 -5.232 -8.782 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.453 -5.425 -10.469 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.095 -3.725 -8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.298 -4.554 -10.154 1.00 0.00 H new ATOM 675 N ILE A 46 4.144 -6.130 -6.342 1.00 0.00 N ATOM 676 CA ILE A 46 4.821 -6.199 -5.053 1.00 0.00 C ATOM 677 C ILE A 46 3.817 -6.269 -3.908 1.00 0.00 C ATOM 678 O ILE A 46 4.026 -6.986 -2.929 1.00 0.00 O ATOM 679 CB ILE A 46 5.746 -4.986 -4.837 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.757 -4.878 -5.980 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.461 -5.098 -3.498 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.177 -3.457 -6.282 1.00 0.00 C ATOM 0 H ILE A 46 4.410 -5.330 -6.916 1.00 0.00 H new ATOM 0 HA ILE A 46 5.423 -7.108 -5.061 1.00 0.00 H new ATOM 0 HB ILE A 46 5.139 -4.081 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.641 -5.464 -5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.326 -5.320 -6.878 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.111 -4.234 -3.359 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.725 -5.131 -2.694 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.059 -6.009 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.894 -3.456 -7.103 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.302 -2.871 -6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.638 -3.018 -5.397 1.00 0.00 H new ATOM 694 N TRP A 47 2.726 -5.523 -4.038 1.00 0.00 N ATOM 695 CA TRP A 47 1.688 -5.501 -3.014 1.00 0.00 C ATOM 696 C TRP A 47 0.908 -6.811 -3.003 1.00 0.00 C ATOM 697 O TRP A 47 0.480 -7.281 -1.949 1.00 0.00 O ATOM 698 CB TRP A 47 0.735 -4.328 -3.249 1.00 0.00 C ATOM 699 CG TRP A 47 -0.162 -4.048 -2.081 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.517 -4.207 -2.033 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.233 -3.559 -0.796 1.00 0.00 C ATOM 702 NE1 TRP A 47 -1.989 -3.846 -0.793 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.934 -3.445 -0.016 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.460 -3.207 -0.226 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.909 -2.994 1.301 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.484 -2.759 1.081 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.306 -2.657 1.833 1.00 0.00 C ATOM 0 H TRP A 47 2.537 -4.925 -4.843 1.00 0.00 H new ATOM 0 HA TRP A 47 2.171 -5.378 -2.045 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.318 -3.435 -3.472 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.123 -4.537 -4.126 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.128 -4.564 -2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.965 -3.872 -0.499 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.373 -3.284 -0.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.816 -2.913 1.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.426 -2.483 1.530 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.358 -2.305 2.853 1.00 0.00 H new ATOM 718 N ASP A 48 0.726 -7.397 -4.182 1.00 0.00 N ATOM 719 CA ASP A 48 -0.002 -8.654 -4.307 1.00 0.00 C ATOM 720 C ASP A 48 0.843 -9.823 -3.811 1.00 0.00 C ATOM 721 O ASP A 48 0.314 -10.835 -3.351 1.00 0.00 O ATOM 722 CB ASP A 48 -0.413 -8.887 -5.762 1.00 0.00 C ATOM 723 CG ASP A 48 -0.610 -10.357 -6.079 1.00 0.00 C ATOM 724 OD1 ASP A 48 0.364 -11.127 -5.949 1.00 0.00 O ATOM 725 OD2 ASP A 48 -1.738 -10.736 -6.458 1.00 0.00 O ATOM 0 H ASP A 48 1.073 -7.021 -5.065 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.898 -8.589 -3.690 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.338 -8.347 -5.966 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.350 -8.475 -6.423 1.00 0.00 H new ATOM 730 N LYS A 49 2.160 -9.678 -3.909 1.00 0.00 N ATOM 731 CA LYS A 49 3.080 -10.720 -3.470 1.00 0.00 C ATOM 732 C LYS A 49 3.190 -10.745 -1.949 1.00 0.00 C ATOM 733 O LYS A 49 3.487 -11.782 -1.354 1.00 0.00 O ATOM 734 CB LYS A 49 4.463 -10.502 -4.088 1.00 0.00 C ATOM 735 CG LYS A 49 4.541 -10.884 -5.556 1.00 0.00 C ATOM 736 CD LYS A 49 5.577 -10.054 -6.295 1.00 0.00 C ATOM 737 CE LYS A 49 6.992 -10.494 -5.951 1.00 0.00 C ATOM 738 NZ LYS A 49 7.387 -11.722 -6.695 1.00 0.00 N ATOM 0 H LYS A 49 2.615 -8.848 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 49 2.686 -11.680 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.739 -9.453 -3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.197 -11.084 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.790 -11.941 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.565 -10.747 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.418 -10.144 -7.370 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.450 -9.002 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.689 -9.689 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.064 -10.680 -4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.357 -11.990 -6.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.737 -12.498 -6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.343 -11.538 -7.718 1.00 0.00 H new ATOM 752 N LEU A 50 2.948 -9.598 -1.324 1.00 0.00 N ATOM 753 CA LEU A 50 3.017 -9.488 0.129 1.00 0.00 C ATOM 754 C LEU A 50 1.705 -9.923 0.771 1.00 0.00 C ATOM 755 O LEU A 50 1.699 -10.574 1.815 1.00 0.00 O ATOM 756 CB LEU A 50 3.346 -8.050 0.536 1.00 0.00 C ATOM 757 CG LEU A 50 2.820 -7.603 1.900 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.676 -8.180 3.017 1.00 0.00 C ATOM 759 CD2 LEU A 50 2.784 -6.084 1.985 1.00 0.00 C ATOM 0 H LEU A 50 2.702 -8.731 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 50 3.809 -10.149 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.429 -7.930 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.946 -7.378 -0.223 1.00 0.00 H new ATOM 0 HG LEU A 50 1.804 -7.979 2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.287 -7.851 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.652 -9.269 2.968 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.703 -7.834 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.407 -5.783 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.790 -5.688 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.129 -5.691 1.207 1.00 0.00 H new ATOM 771 N GLY A 51 0.593 -9.560 0.139 1.00 0.00 N ATOM 772 CA GLY A 51 -0.711 -9.924 0.662 1.00 0.00 C ATOM 773 C GLY A 51 -0.861 -11.420 0.857 1.00 0.00 C ATOM 774 O GLY A 51 -1.390 -11.869 1.873 1.00 0.00 O ATOM 0 H GLY A 51 0.572 -9.020 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.871 -9.419 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.484 -9.570 -0.020 1.00 0.00 H new ATOM 778 N GLU A 52 -0.395 -12.192 -0.119 1.00 0.00 N ATOM 779 CA GLU A 52 -0.483 -13.646 -0.050 1.00 0.00 C ATOM 780 C GLU A 52 0.313 -14.183 1.136 1.00 0.00 C ATOM 781 O GLU A 52 0.020 -15.259 1.659 1.00 0.00 O ATOM 782 CB GLU A 52 0.031 -14.272 -1.348 1.00 0.00 C ATOM 783 CG GLU A 52 1.542 -14.426 -1.394 1.00 0.00 C ATOM 784 CD GLU A 52 2.017 -15.153 -2.637 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.373 -16.150 -3.024 1.00 0.00 O ATOM 786 OE2 GLU A 52 3.033 -14.725 -3.222 1.00 0.00 O ATOM 0 H GLU A 52 0.047 -11.836 -0.966 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.531 -13.915 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.429 -15.252 -1.476 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.289 -13.657 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.005 -13.440 -1.355 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.875 -14.970 -0.510 1.00 0.00 H new ATOM 793 N THR A 53 1.321 -13.426 1.557 1.00 0.00 N ATOM 794 CA THR A 53 2.160 -13.825 2.679 1.00 0.00 C ATOM 795 C THR A 53 1.397 -13.738 3.995 1.00 0.00 C ATOM 796 O THR A 53 1.594 -14.555 4.895 1.00 0.00 O ATOM 797 CB THR A 53 3.425 -12.951 2.774 1.00 0.00 C ATOM 798 OG1 THR A 53 4.217 -13.106 1.591 1.00 0.00 O ATOM 799 CG2 THR A 53 4.251 -13.325 3.996 1.00 0.00 C ATOM 0 H THR A 53 1.576 -12.532 1.137 1.00 0.00 H new ATOM 0 HA THR A 53 2.454 -14.859 2.500 1.00 0.00 H new ATOM 0 HB THR A 53 3.115 -11.910 2.870 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.812 -12.598 0.857 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.139 -12.695 4.042 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.655 -13.178 4.897 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.552 -14.370 3.926 1.00 0.00 H new ATOM 807 N TYR A 54 0.523 -12.743 4.102 1.00 0.00 N ATOM 808 CA TYR A 54 -0.270 -12.548 5.310 1.00 0.00 C ATOM 809 C TYR A 54 -1.761 -12.659 5.007 1.00 0.00 C ATOM 810 O TYR A 54 -2.586 -12.000 5.639 1.00 0.00 O ATOM 811 CB TYR A 54 0.036 -11.183 5.931 1.00 0.00 C ATOM 812 CG TYR A 54 1.506 -10.954 6.195 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.368 -10.586 5.169 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.034 -11.103 7.472 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.713 -10.376 5.406 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.377 -10.894 7.718 1.00 0.00 C ATOM 817 CZ TYR A 54 4.213 -10.531 6.682 1.00 0.00 C ATOM 818 OH TYR A 54 5.551 -10.322 6.923 1.00 0.00 O ATOM 0 H TYR A 54 0.346 -12.059 3.366 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.003 -13.331 6.020 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.331 -10.401 5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.512 -11.089 6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.980 -10.462 4.169 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.383 -11.387 8.286 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.369 -10.092 4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.771 -11.014 8.716 1.00 0.00 H new ATOM 0 HH TYR A 54 5.740 -10.471 7.873 1.00 0.00 H new ATOM 828 N LYS A 55 -2.099 -13.499 4.034 1.00 0.00 N ATOM 829 CA LYS A 55 -3.490 -13.700 3.646 1.00 0.00 C ATOM 830 C LYS A 55 -4.215 -14.582 4.657 1.00 0.00 C ATOM 831 O LYS A 55 -5.411 -14.417 4.894 1.00 0.00 O ATOM 832 CB LYS A 55 -3.566 -14.333 2.254 1.00 0.00 C ATOM 833 CG LYS A 55 -3.316 -15.831 2.253 1.00 0.00 C ATOM 834 CD LYS A 55 -3.074 -16.355 0.847 1.00 0.00 C ATOM 835 CE LYS A 55 -2.178 -17.584 0.857 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.927 -18.814 1.235 1.00 0.00 N ATOM 0 H LYS A 55 -1.428 -14.051 3.500 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.979 -12.726 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.550 -14.137 1.828 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.836 -13.851 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.454 -16.057 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.172 -16.344 2.691 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.028 -16.602 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.616 -15.574 0.240 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.734 -17.718 -0.130 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.357 -17.429 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.281 -19.629 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.329 -18.697 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.695 -18.977 0.552 1.00 0.00 H new ATOM 850 N ASP A 56 -3.482 -15.517 5.252 1.00 0.00 N ATOM 851 CA ASP A 56 -4.055 -16.424 6.240 1.00 0.00 C ATOM 852 C ASP A 56 -3.435 -16.192 7.614 1.00 0.00 C ATOM 853 O ASP A 56 -3.431 -17.083 8.464 1.00 0.00 O ATOM 854 CB ASP A 56 -3.847 -17.877 5.812 1.00 0.00 C ATOM 855 CG ASP A 56 -4.373 -18.864 6.836 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.475 -18.630 7.372 1.00 0.00 O ATOM 857 OD2 ASP A 56 -3.681 -19.869 7.101 1.00 0.00 O ATOM 0 H ASP A 56 -2.490 -15.667 5.067 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.124 -16.222 6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.347 -18.047 4.858 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.784 -18.057 5.651 1.00 0.00 H new ATOM 862 N HIS A 57 -2.910 -14.989 7.826 1.00 0.00 N ATOM 863 CA HIS A 57 -2.286 -14.640 9.097 1.00 0.00 C ATOM 864 C HIS A 57 -3.310 -14.660 10.228 1.00 0.00 C ATOM 865 O HIS A 57 -4.463 -15.038 10.026 1.00 0.00 O ATOM 866 CB HIS A 57 -1.635 -13.259 9.007 1.00 0.00 C ATOM 867 CG HIS A 57 -0.322 -13.169 9.723 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.206 -12.750 11.031 1.00 0.00 N ATOM 869 CD2 HIS A 57 0.934 -13.448 9.305 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.066 -12.773 11.387 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.779 -13.194 10.358 1.00 0.00 N ATOM 0 H HIS A 57 -2.904 -14.240 7.134 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.518 -15.382 9.313 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.486 -13.004 7.958 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.317 -12.517 9.421 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.219 -13.804 8.326 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.456 -12.495 12.355 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.792 -13.311 10.347 1.00 0.00 H new ATOM 880 N GLU A 58 -2.879 -14.251 11.417 1.00 0.00 N ATOM 881 CA GLU A 58 -3.759 -14.224 12.580 1.00 0.00 C ATOM 882 C GLU A 58 -4.177 -12.795 12.913 1.00 0.00 C ATOM 883 O GLU A 58 -5.338 -12.534 13.225 1.00 0.00 O ATOM 884 CB GLU A 58 -3.065 -14.858 13.787 1.00 0.00 C ATOM 885 CG GLU A 58 -1.644 -14.364 14.001 1.00 0.00 C ATOM 886 CD GLU A 58 -0.659 -14.979 13.026 1.00 0.00 C ATOM 887 OE1 GLU A 58 -1.092 -15.774 12.167 1.00 0.00 O ATOM 888 OE2 GLU A 58 0.546 -14.664 13.124 1.00 0.00 O ATOM 0 H GLU A 58 -1.927 -13.934 11.600 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.653 -14.799 12.340 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.651 -14.651 14.682 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.049 -15.940 13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.621 -13.279 13.899 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.333 -14.595 15.020 1.00 0.00 H new ATOM 895 N ASN A 59 -3.222 -11.873 12.844 1.00 0.00 N ATOM 896 CA ASN A 59 -3.490 -10.471 13.139 1.00 0.00 C ATOM 897 C ASN A 59 -3.119 -9.585 11.953 1.00 0.00 C ATOM 898 O ASN A 59 -3.731 -8.539 11.732 1.00 0.00 O ATOM 899 CB ASN A 59 -2.712 -10.031 14.381 1.00 0.00 C ATOM 900 CG ASN A 59 -1.217 -9.968 14.134 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.712 -9.005 13.556 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.500 -10.996 14.572 1.00 0.00 N ATOM 0 H ASN A 59 -2.255 -12.072 12.586 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.558 -10.364 13.331 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.066 -9.051 14.700 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.914 -10.724 15.197 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.511 -11.008 14.434 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.960 -11.773 15.046 1.00 0.00 H new ATOM 909 N ILE A 60 -2.116 -10.011 11.194 1.00 0.00 N ATOM 910 CA ILE A 60 -1.665 -9.258 10.031 1.00 0.00 C ATOM 911 C ILE A 60 -2.532 -9.558 8.812 1.00 0.00 C ATOM 912 O ILE A 60 -2.522 -10.672 8.288 1.00 0.00 O ATOM 913 CB ILE A 60 -0.196 -9.572 9.691 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.685 -9.393 10.928 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.287 -8.681 8.556 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.160 -9.591 10.654 1.00 0.00 C ATOM 0 H ILE A 60 -1.600 -10.874 11.364 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.752 -8.202 10.286 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.127 -10.610 9.366 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.530 -8.393 11.333 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.368 -10.100 11.695 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.327 -8.915 8.327 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.327 -8.853 7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.207 -7.636 8.855 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.724 -9.449 11.576 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.328 -10.600 10.278 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.492 -8.867 9.910 1.00 0.00 H new ATOM 928 N VAL A 61 -3.282 -8.555 8.365 1.00 0.00 N ATOM 929 CA VAL A 61 -4.153 -8.710 7.206 1.00 0.00 C ATOM 930 C VAL A 61 -3.898 -7.615 6.177 1.00 0.00 C ATOM 931 O VAL A 61 -4.230 -6.450 6.400 1.00 0.00 O ATOM 932 CB VAL A 61 -5.638 -8.682 7.613 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.505 -8.246 6.441 1.00 0.00 C ATOM 934 CG2 VAL A 61 -6.075 -10.044 8.131 1.00 0.00 C ATOM 0 H VAL A 61 -3.304 -7.627 8.788 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.923 -9.680 6.764 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.762 -7.956 8.417 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.551 -8.232 6.747 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.208 -7.248 6.120 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.378 -8.945 5.615 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.127 -10.005 8.414 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.936 -10.792 7.350 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.475 -10.312 9.001 1.00 0.00 H new ATOM 944 N ILE A 62 -3.308 -7.997 5.049 1.00 0.00 N ATOM 945 CA ILE A 62 -3.010 -7.047 3.984 1.00 0.00 C ATOM 946 C ILE A 62 -4.267 -6.691 3.198 1.00 0.00 C ATOM 947 O ILE A 62 -5.125 -7.541 2.961 1.00 0.00 O ATOM 948 CB ILE A 62 -1.951 -7.603 3.014 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.657 -7.921 3.765 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.689 -6.611 1.891 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.039 -6.696 4.315 1.00 0.00 C ATOM 0 H ILE A 62 -3.027 -8.957 4.849 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.617 -6.150 4.462 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.330 -8.526 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.881 -8.601 4.587 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.024 -8.445 3.094 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.938 -7.018 1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.613 -6.430 1.342 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.327 -5.673 2.311 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.949 -6.997 4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.295 -6.024 3.496 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.624 -6.183 5.012 1.00 0.00 H new ATOM 963 N ALA A 63 -4.368 -5.429 2.794 1.00 0.00 N ATOM 964 CA ALA A 63 -5.518 -4.961 2.030 1.00 0.00 C ATOM 965 C ALA A 63 -5.135 -3.803 1.115 1.00 0.00 C ATOM 966 O ALA A 63 -4.210 -3.045 1.409 1.00 0.00 O ATOM 967 CB ALA A 63 -6.641 -4.545 2.969 1.00 0.00 C ATOM 0 H ALA A 63 -3.667 -4.712 2.983 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.867 -5.783 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.493 -4.198 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.941 -5.398 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.294 -3.741 3.618 1.00 0.00 H new ATOM 973 N LYS A 64 -5.851 -3.672 0.003 1.00 0.00 N ATOM 974 CA LYS A 64 -5.587 -2.606 -0.956 1.00 0.00 C ATOM 975 C LYS A 64 -6.865 -1.842 -1.286 1.00 0.00 C ATOM 976 O LYS A 64 -7.956 -2.410 -1.285 1.00 0.00 O ATOM 977 CB LYS A 64 -4.980 -3.183 -2.237 1.00 0.00 C ATOM 978 CG LYS A 64 -5.949 -4.035 -3.038 1.00 0.00 C ATOM 979 CD LYS A 64 -5.364 -4.431 -4.384 1.00 0.00 C ATOM 980 CE LYS A 64 -6.396 -5.126 -5.258 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.785 -5.695 -6.492 1.00 0.00 N ATOM 0 H LYS A 64 -6.619 -4.291 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.877 -1.913 -0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.627 -2.364 -2.863 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.109 -3.785 -1.978 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.200 -4.932 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.877 -3.485 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.991 -3.543 -4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.511 -5.092 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.876 -5.923 -4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.176 -4.416 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.521 -6.160 -7.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.349 -4.931 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.058 -6.391 -6.230 1.00 0.00 H new ATOM 995 N MET A 65 -6.721 -0.551 -1.569 1.00 0.00 N ATOM 996 CA MET A 65 -7.865 0.289 -1.903 1.00 0.00 C ATOM 997 C MET A 65 -7.472 1.366 -2.909 1.00 0.00 C ATOM 998 O MET A 65 -6.350 1.872 -2.885 1.00 0.00 O ATOM 999 CB MET A 65 -8.434 0.939 -0.640 1.00 0.00 C ATOM 1000 CG MET A 65 -9.806 1.561 -0.842 1.00 0.00 C ATOM 1001 SD MET A 65 -10.563 2.093 0.706 1.00 0.00 S ATOM 1002 CE MET A 65 -10.912 3.811 0.339 1.00 0.00 C ATOM 0 H MET A 65 -5.824 -0.065 -1.574 1.00 0.00 H new ATOM 0 HA MET A 65 -8.630 -0.344 -2.353 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.497 0.189 0.148 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.743 1.708 -0.294 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.718 2.417 -1.511 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.459 0.839 -1.332 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.973 4.377 1.269 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.115 4.219 -0.283 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.861 3.884 -0.193 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.403 1.712 -3.793 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.154 2.729 -4.807 1.00 0.00 C ATOM 1014 C ASP A 66 -8.659 4.092 -4.345 1.00 0.00 C ATOM 1015 O ASP A 66 -9.862 4.351 -4.341 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.828 2.342 -6.124 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.427 3.252 -7.269 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -7.772 4.282 -7.006 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -8.770 2.935 -8.427 1.00 0.00 O ATOM 0 H ASP A 66 -9.337 1.303 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.077 2.794 -4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.568 1.313 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.910 2.376 -5.999 1.00 0.00 H new ATOM 1024 N SER A 67 -7.730 4.960 -3.954 1.00 0.00 N ATOM 1025 CA SER A 67 -8.082 6.296 -3.485 1.00 0.00 C ATOM 1026 C SER A 67 -8.660 7.136 -4.620 1.00 0.00 C ATOM 1027 O SER A 67 -9.471 8.034 -4.393 1.00 0.00 O ATOM 1028 CB SER A 67 -6.853 6.991 -2.895 1.00 0.00 C ATOM 1029 OG SER A 67 -7.226 7.917 -1.889 1.00 0.00 O ATOM 0 H SER A 67 -6.729 4.762 -3.953 1.00 0.00 H new ATOM 0 HA SER A 67 -8.841 6.194 -2.710 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.176 6.246 -2.476 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.309 7.507 -3.686 1.00 0.00 H new ATOM 0 HG SER A 67 -8.049 8.377 -2.157 1.00 0.00 H new ATOM 1035 N THR A 68 -8.236 6.837 -5.844 1.00 0.00 N ATOM 1036 CA THR A 68 -8.709 7.564 -7.015 1.00 0.00 C ATOM 1037 C THR A 68 -10.126 7.142 -7.389 1.00 0.00 C ATOM 1038 O THR A 68 -10.829 7.858 -8.102 1.00 0.00 O ATOM 1039 CB THR A 68 -7.784 7.341 -8.226 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.142 6.130 -8.901 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.328 7.273 -7.790 1.00 0.00 C ATOM 0 H THR A 68 -7.566 6.096 -6.050 1.00 0.00 H new ATOM 0 HA THR A 68 -8.704 8.622 -6.753 1.00 0.00 H new ATOM 0 HB THR A 68 -7.904 8.184 -8.906 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.071 5.376 -8.279 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.694 7.115 -8.662 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.050 8.208 -7.304 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.196 6.447 -7.091 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.540 5.977 -6.901 1.00 0.00 N ATOM 1050 CA ALA A 69 -11.874 5.462 -7.182 1.00 0.00 C ATOM 1051 C ALA A 69 -12.738 5.463 -5.925 1.00 0.00 C ATOM 1052 O ALA A 69 -13.960 5.342 -6.001 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.787 4.060 -7.764 1.00 0.00 C ATOM 0 H ALA A 69 -9.970 5.372 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.343 6.118 -7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.791 3.688 -7.969 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.213 4.086 -8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.294 3.400 -7.050 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.094 5.598 -4.770 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.805 5.612 -3.496 1.00 0.00 C ATOM 1061 C ASN A 70 -12.184 6.624 -2.539 1.00 0.00 C ATOM 1062 O ASN A 70 -10.968 6.650 -2.351 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.789 4.219 -2.864 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.280 3.146 -3.817 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.484 2.942 -3.973 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.346 2.455 -4.461 1.00 0.00 N ATOM 0 H ASN A 70 -11.082 5.699 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.837 5.905 -3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.775 3.980 -2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.414 4.221 -1.971 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.615 1.721 -5.116 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.359 2.658 -4.300 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.028 7.455 -1.935 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.561 8.469 -0.997 1.00 0.00 C ATOM 1075 C GLU A 71 -13.191 8.269 0.379 1.00 0.00 C ATOM 1076 O GLU A 71 -14.339 7.840 0.491 1.00 0.00 O ATOM 1077 CB GLU A 71 -12.888 9.869 -1.520 1.00 0.00 C ATOM 1078 CG GLU A 71 -11.906 10.935 -1.062 1.00 0.00 C ATOM 1079 CD GLU A 71 -12.309 12.328 -1.504 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -13.311 12.853 -0.974 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -11.622 12.894 -2.380 1.00 0.00 O ATOM 0 H GLU A 71 -14.038 7.446 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.480 8.368 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.904 9.846 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.890 10.145 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.830 10.911 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.916 10.705 -1.456 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.430 8.582 1.423 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.912 8.438 2.791 1.00 0.00 C ATOM 1090 C VAL A 72 -12.320 9.509 3.699 1.00 0.00 C ATOM 1091 O VAL A 72 -11.148 9.864 3.573 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.570 7.049 3.363 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.390 5.970 2.672 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -11.081 6.769 3.226 1.00 0.00 C ATOM 0 H VAL A 72 -11.477 8.937 1.347 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.995 8.553 2.758 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.822 7.039 4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.135 4.996 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.451 6.164 2.827 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.172 5.976 1.604 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.857 5.784 3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.801 6.797 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.517 7.525 3.772 1.00 0.00 H new ATOM 1104 N GLU A 73 -13.137 10.021 4.614 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.693 11.053 5.543 1.00 0.00 C ATOM 1106 C GLU A 73 -11.724 10.478 6.572 1.00 0.00 C ATOM 1107 O GLU A 73 -10.905 11.199 7.141 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.893 11.682 6.253 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.648 10.714 7.147 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.903 11.324 7.740 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -16.804 11.702 6.962 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -15.984 11.423 8.982 1.00 0.00 O ATOM 0 H GLU A 73 -14.110 9.738 4.732 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.174 11.822 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.549 12.524 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.578 12.082 5.505 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.916 9.828 6.572 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.993 10.384 7.953 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.823 9.173 6.806 1.00 0.00 N ATOM 1120 CA ALA A 74 -10.956 8.500 7.764 1.00 0.00 C ATOM 1121 C ALA A 74 -9.494 8.587 7.337 1.00 0.00 C ATOM 1122 O ALA A 74 -8.589 8.510 8.168 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.375 7.047 7.926 1.00 0.00 C ATOM 0 H ALA A 74 -12.496 8.561 6.344 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.057 9.005 8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.718 6.557 8.645 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.403 7.003 8.285 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.304 6.539 6.964 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.271 8.748 6.037 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.919 8.845 5.499 1.00 0.00 C ATOM 1131 C VAL A 75 -7.900 9.644 4.201 1.00 0.00 C ATOM 1132 O VAL A 75 -8.422 9.199 3.178 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.316 7.452 5.242 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.041 7.566 4.419 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.049 6.735 6.557 1.00 0.00 C ATOM 0 H VAL A 75 -10.009 8.814 5.336 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.317 9.360 6.247 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.036 6.863 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.629 6.572 4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.267 8.036 3.462 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.313 8.172 4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.623 5.752 6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.348 7.319 7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.984 6.620 7.105 1.00 0.00 H new ATOM 1145 N LYS A 76 -7.296 10.826 4.248 1.00 0.00 N ATOM 1146 CA LYS A 76 -7.206 11.687 3.075 1.00 0.00 C ATOM 1147 C LYS A 76 -5.839 11.561 2.410 1.00 0.00 C ATOM 1148 O LYS A 76 -4.843 12.083 2.911 1.00 0.00 O ATOM 1149 CB LYS A 76 -7.461 13.145 3.467 1.00 0.00 C ATOM 1150 CG LYS A 76 -8.911 13.436 3.816 1.00 0.00 C ATOM 1151 CD LYS A 76 -9.782 13.500 2.573 1.00 0.00 C ATOM 1152 CE LYS A 76 -11.261 13.467 2.926 1.00 0.00 C ATOM 1153 NZ LYS A 76 -12.111 13.931 1.796 1.00 0.00 N ATOM 0 H LYS A 76 -6.861 11.210 5.087 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.967 11.369 2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.833 13.398 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.157 13.792 2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.287 12.662 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.974 14.382 4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.560 14.412 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.545 12.662 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.546 12.452 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.440 14.096 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.049 14.201 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.665 14.753 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.214 13.164 1.101 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.799 10.865 1.278 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.555 10.673 0.543 1.00 0.00 C ATOM 1169 C VAL A 77 -4.438 11.664 -0.610 1.00 0.00 C ATOM 1170 O VAL A 77 -5.346 11.784 -1.433 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.448 9.240 -0.013 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.032 8.958 -0.491 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -4.877 8.228 1.038 1.00 0.00 C ATOM 0 H VAL A 77 -6.614 10.425 0.850 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.741 10.844 1.248 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.119 9.148 -0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.975 7.942 -0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.766 9.664 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.338 9.067 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.795 7.221 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.233 8.317 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.910 8.419 1.327 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.315 12.372 -0.662 1.00 0.00 N ATOM 1184 CA HIS A 78 -3.078 13.353 -1.715 1.00 0.00 C ATOM 1185 C HIS A 78 -1.898 12.939 -2.588 1.00 0.00 C ATOM 1186 O HIS A 78 -1.609 13.576 -3.601 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.820 14.732 -1.108 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.789 15.103 -0.028 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.396 15.489 1.236 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -5.142 15.145 -0.029 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -4.465 15.752 1.966 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.538 15.552 1.221 1.00 0.00 N ATOM 0 H HIS A 78 -2.555 12.285 0.012 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.970 13.401 -2.340 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.809 14.757 -0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.865 15.482 -1.898 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.790 14.903 -0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.463 16.075 2.996 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.503 15.679 1.525 1.00 0.00 H new ATOM 1201 N SER A 79 -1.219 11.869 -2.188 1.00 0.00 N ATOM 1202 CA SER A 79 -0.067 11.373 -2.932 1.00 0.00 C ATOM 1203 C SER A 79 -0.144 9.859 -3.106 1.00 0.00 C ATOM 1204 O SER A 79 -0.970 9.192 -2.483 1.00 0.00 O ATOM 1205 CB SER A 79 1.231 11.750 -2.214 1.00 0.00 C ATOM 1206 OG SER A 79 1.335 11.086 -0.967 1.00 0.00 O ATOM 0 H SER A 79 -1.446 11.329 -1.353 1.00 0.00 H new ATOM 0 HA SER A 79 -0.076 11.836 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.085 11.491 -2.840 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.265 12.828 -2.059 1.00 0.00 H new ATOM 0 HG SER A 79 2.173 11.342 -0.529 1.00 0.00 H new ATOM 1212 N PHE A 80 0.724 9.323 -3.958 1.00 0.00 N ATOM 1213 CA PHE A 80 0.755 7.888 -4.217 1.00 0.00 C ATOM 1214 C PHE A 80 2.081 7.478 -4.851 1.00 0.00 C ATOM 1215 O PHE A 80 2.737 8.260 -5.540 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.406 7.488 -5.130 1.00 0.00 C ATOM 1217 CG PHE A 80 -1.671 8.252 -4.861 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -1.906 9.467 -5.483 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.624 7.754 -3.988 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.069 10.173 -5.237 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.789 8.455 -3.739 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.012 9.665 -4.365 1.00 0.00 C ATOM 0 H PHE A 80 1.415 9.861 -4.481 1.00 0.00 H new ATOM 0 HA PHE A 80 0.653 7.370 -3.264 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.111 7.643 -6.168 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.602 6.423 -5.010 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.173 9.867 -6.168 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.455 6.807 -3.496 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.240 11.121 -5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.524 8.056 -3.055 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.922 10.214 -4.173 1.00 0.00 H new ATOM 1232 N PRO A 81 2.486 6.222 -4.614 1.00 0.00 N ATOM 1233 CA PRO A 81 1.714 5.282 -3.796 1.00 0.00 C ATOM 1234 C PRO A 81 1.713 5.664 -2.320 1.00 0.00 C ATOM 1235 O PRO A 81 2.705 6.173 -1.798 1.00 0.00 O ATOM 1236 CB PRO A 81 2.441 3.951 -4.004 1.00 0.00 C ATOM 1237 CG PRO A 81 3.836 4.333 -4.360 1.00 0.00 C ATOM 1238 CD PRO A 81 3.729 5.622 -5.127 1.00 0.00 C ATOM 0 HA PRO A 81 0.663 5.259 -4.084 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.416 3.341 -3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.976 3.366 -4.797 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.446 4.460 -3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.311 3.559 -4.962 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.589 6.267 -4.950 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.677 5.447 -6.202 1.00 0.00 H new ATOM 1246 N THR A 82 0.592 5.415 -1.650 1.00 0.00 N ATOM 1247 CA THR A 82 0.461 5.733 -0.234 1.00 0.00 C ATOM 1248 C THR A 82 0.118 4.490 0.580 1.00 0.00 C ATOM 1249 O THR A 82 -0.833 3.773 0.265 1.00 0.00 O ATOM 1250 CB THR A 82 -0.620 6.804 0.004 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.155 8.079 -0.451 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.984 6.887 1.479 1.00 0.00 C ATOM 0 H THR A 82 -0.239 4.994 -2.066 1.00 0.00 H new ATOM 0 HA THR A 82 1.425 6.122 0.093 1.00 0.00 H new ATOM 0 HB THR A 82 -1.510 6.521 -0.558 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.330 8.167 -1.411 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.749 7.650 1.623 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.366 5.923 1.814 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.098 7.148 2.058 1.00 0.00 H new ATOM 1260 N LEU A 83 0.895 4.241 1.628 1.00 0.00 N ATOM 1261 CA LEU A 83 0.673 3.084 2.488 1.00 0.00 C ATOM 1262 C LEU A 83 0.424 3.518 3.929 1.00 0.00 C ATOM 1263 O LEU A 83 1.123 4.382 4.459 1.00 0.00 O ATOM 1264 CB LEU A 83 1.874 2.140 2.427 1.00 0.00 C ATOM 1265 CG LEU A 83 2.343 1.740 1.028 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.645 0.957 1.105 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.270 0.926 0.318 1.00 0.00 C ATOM 0 H LEU A 83 1.685 4.825 1.903 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.211 2.558 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.708 2.611 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.626 1.233 2.978 1.00 0.00 H new ATOM 0 HG LEU A 83 2.522 2.648 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.963 0.681 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.413 1.573 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.493 0.055 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.621 0.650 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.059 0.024 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.361 1.521 0.230 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.575 2.910 4.560 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.914 3.229 5.942 1.00 0.00 C ATOM 1281 C LYS A 84 -1.179 1.959 6.744 1.00 0.00 C ATOM 1282 O LYS A 84 -2.007 1.132 6.361 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.143 4.141 5.989 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.033 5.357 5.086 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.813 6.536 5.642 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.603 7.788 4.804 1.00 0.00 C ATOM 1287 NZ LYS A 84 -2.775 9.029 5.608 1.00 0.00 N ATOM 0 H LYS A 84 -1.164 2.193 4.136 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.066 3.749 6.388 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.023 3.565 5.703 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.299 4.474 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.985 5.634 4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.406 5.109 4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.875 6.290 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.502 6.728 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.603 7.772 4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.310 7.792 3.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.793 9.854 4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -3.669 8.979 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.983 9.122 6.276 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.472 1.811 7.860 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.632 0.642 8.717 1.00 0.00 C ATOM 1303 C PHE A 85 -1.659 0.907 9.813 1.00 0.00 C ATOM 1304 O PHE A 85 -1.585 1.913 10.519 1.00 0.00 O ATOM 1305 CB PHE A 85 0.710 0.255 9.342 1.00 0.00 C ATOM 1306 CG PHE A 85 0.600 -0.833 10.372 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.607 -2.166 9.994 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.489 -0.523 11.718 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.505 -3.169 10.939 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.387 -1.522 12.668 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.396 -2.846 12.278 1.00 0.00 C ATOM 0 H PHE A 85 0.217 2.486 8.192 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.990 -0.183 8.101 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.389 -0.070 8.553 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.155 1.137 9.803 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.693 -2.424 8.949 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.482 0.511 12.029 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.510 -4.204 10.631 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.300 -1.267 13.714 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.318 -3.628 13.018 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.618 -0.003 9.949 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.663 0.133 10.957 1.00 0.00 C ATOM 1323 C PHE A 86 -3.443 -0.850 12.104 1.00 0.00 C ATOM 1324 O PHE A 86 -3.627 -2.059 11.963 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.040 -0.098 10.331 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.350 0.844 9.203 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.552 1.953 8.969 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.440 0.622 8.377 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.835 2.822 7.932 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.727 1.487 7.338 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.925 2.589 7.116 1.00 0.00 C ATOM 0 H PHE A 86 -2.693 -0.842 9.374 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.618 1.147 11.355 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.096 -1.123 9.964 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.803 0.007 11.102 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.699 2.140 9.604 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.073 -0.237 8.547 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.205 3.682 7.760 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.578 1.301 6.700 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.149 3.267 6.306 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.038 -0.320 13.267 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.783 -1.132 14.461 1.00 0.00 C ATOM 1343 C PRO A 87 -4.064 -1.706 15.056 1.00 0.00 C ATOM 1344 O PRO A 87 -5.167 -1.325 14.664 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.139 -0.141 15.433 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.640 1.194 15.001 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.797 1.113 13.507 1.00 0.00 C ATOM 0 HA PRO A 87 -2.160 -1.998 14.239 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.423 -0.356 16.463 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.051 -0.190 15.385 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.590 1.429 15.481 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.940 1.982 15.278 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.628 1.725 13.156 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.904 1.463 12.989 1.00 0.00 H new ATOM 1355 N ALA A 88 -3.911 -2.623 16.005 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.057 -3.248 16.656 1.00 0.00 C ATOM 1357 C ALA A 88 -5.701 -2.299 17.661 1.00 0.00 C ATOM 1358 O ALA A 88 -5.961 -2.674 18.804 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.635 -4.539 17.341 1.00 0.00 C ATOM 0 H ALA A 88 -3.005 -2.950 16.341 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.797 -3.481 15.890 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.500 -4.995 17.823 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.227 -5.227 16.601 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.875 -4.321 18.091 1.00 0.00 H new ATOM 1422 N THR A 93 -7.008 4.259 14.613 1.00 0.00 N ATOM 1423 CA THR A 93 -5.661 4.807 14.508 1.00 0.00 C ATOM 1424 C THR A 93 -5.001 4.396 13.196 1.00 0.00 C ATOM 1425 O THR A 93 -5.172 3.270 12.729 1.00 0.00 O ATOM 1426 CB THR A 93 -4.775 4.347 15.681 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.393 4.691 16.926 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.396 4.985 15.600 1.00 0.00 C ATOM 0 HA THR A 93 -5.758 5.892 14.539 1.00 0.00 H new ATOM 0 HB THR A 93 -4.661 3.265 15.619 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.356 4.815 16.790 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.788 4.645 16.439 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.916 4.697 14.664 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.494 6.070 15.639 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.246 5.317 12.605 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.559 5.050 11.348 1.00 0.00 C ATOM 1438 C VAL A 94 -2.088 5.441 11.431 1.00 0.00 C ATOM 1439 O VAL A 94 -1.749 6.524 11.909 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.214 5.808 10.178 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.260 5.896 8.997 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.518 5.138 9.772 1.00 0.00 C ATOM 0 H VAL A 94 -4.095 6.255 12.977 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.638 3.978 11.167 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.441 6.822 10.507 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.741 6.435 8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.356 6.425 9.298 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.999 4.891 8.665 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.967 5.687 8.944 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.319 4.112 9.462 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.204 5.134 10.619 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.218 4.552 10.964 1.00 0.00 N ATOM 1453 CA ILE A 95 0.217 4.805 10.984 1.00 0.00 C ATOM 1454 C ILE A 95 0.751 5.062 9.579 1.00 0.00 C ATOM 1455 O ILE A 95 0.270 4.480 8.606 1.00 0.00 O ATOM 1456 CB ILE A 95 0.988 3.626 11.607 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.613 3.465 13.081 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.488 3.834 11.456 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.504 2.497 13.829 1.00 0.00 C ATOM 0 H ILE A 95 -1.482 3.650 10.567 1.00 0.00 H new ATOM 0 HA ILE A 95 0.372 5.694 11.596 1.00 0.00 H new ATOM 0 HB ILE A 95 0.713 2.713 11.080 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.659 4.439 13.568 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.420 3.123 13.150 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.019 2.992 11.901 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.741 3.904 10.398 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.780 4.755 11.960 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.180 2.433 14.868 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.440 1.512 13.367 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.535 2.848 13.792 1.00 0.00 H new ATOM 1471 N ASP A 96 1.748 5.934 9.480 1.00 0.00 N ATOM 1472 CA ASP A 96 2.350 6.265 8.194 1.00 0.00 C ATOM 1473 C ASP A 96 3.537 5.354 7.899 1.00 0.00 C ATOM 1474 O ASP A 96 4.417 5.171 8.741 1.00 0.00 O ATOM 1475 CB ASP A 96 2.797 7.728 8.178 1.00 0.00 C ATOM 1476 CG ASP A 96 1.633 8.690 8.306 1.00 0.00 C ATOM 1477 OD1 ASP A 96 0.854 8.813 7.337 1.00 0.00 O ATOM 1478 OD2 ASP A 96 1.499 9.320 9.376 1.00 0.00 O ATOM 0 H ASP A 96 2.157 6.425 10.275 1.00 0.00 H new ATOM 0 HA ASP A 96 1.598 6.114 7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.498 7.900 8.995 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.332 7.931 7.251 1.00 0.00 H new ATOM 1483 N TYR A 97 3.555 4.784 6.699 1.00 0.00 N ATOM 1484 CA TYR A 97 4.633 3.889 6.294 1.00 0.00 C ATOM 1485 C TYR A 97 5.621 4.606 5.379 1.00 0.00 C ATOM 1486 O TYR A 97 5.298 4.942 4.241 1.00 0.00 O ATOM 1487 CB TYR A 97 4.063 2.660 5.585 1.00 0.00 C ATOM 1488 CG TYR A 97 5.113 1.643 5.198 1.00 0.00 C ATOM 1489 CD1 TYR A 97 6.033 1.915 4.192 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.185 0.411 5.836 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.994 0.989 3.834 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.143 -0.520 5.486 1.00 0.00 C ATOM 1493 CZ TYR A 97 7.046 -0.227 4.484 1.00 0.00 C ATOM 1494 OH TYR A 97 8.001 -1.152 4.131 1.00 0.00 O ATOM 0 H TYR A 97 2.836 4.926 5.990 1.00 0.00 H new ATOM 0 HA TYR A 97 5.163 3.569 7.191 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.330 2.183 6.235 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.533 2.981 4.689 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.996 2.866 3.682 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.479 0.177 6.619 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.701 1.216 3.049 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.185 -1.472 5.994 1.00 0.00 H new ATOM 0 HH TYR A 97 7.592 -1.850 3.578 1.00 0.00 H new ATOM 1504 N ASN A 98 6.828 4.835 5.887 1.00 0.00 N ATOM 1505 CA ASN A 98 7.865 5.511 5.116 1.00 0.00 C ATOM 1506 C ASN A 98 9.168 4.718 5.144 1.00 0.00 C ATOM 1507 O ASN A 98 10.127 5.102 5.812 1.00 0.00 O ATOM 1508 CB ASN A 98 8.101 6.920 5.665 1.00 0.00 C ATOM 1509 CG ASN A 98 6.889 7.816 5.498 1.00 0.00 C ATOM 1510 OD1 ASN A 98 6.362 7.967 4.395 1.00 0.00 O ATOM 1511 ND2 ASN A 98 6.441 8.416 6.595 1.00 0.00 N ATOM 0 H ASN A 98 7.112 4.563 6.828 1.00 0.00 H new ATOM 0 HA ASN A 98 7.526 5.583 4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.360 6.857 6.722 1.00 0.00 H new ATOM 0 HB3 ASN A 98 8.954 7.368 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.629 9.031 6.544 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.909 8.262 7.488 1.00 0.00 H new ATOM 1518 N GLY A 99 9.195 3.608 4.412 1.00 0.00 N ATOM 1519 CA GLY A 99 10.384 2.778 4.366 1.00 0.00 C ATOM 1520 C GLY A 99 10.804 2.445 2.948 1.00 0.00 C ATOM 1521 O GLY A 99 10.517 3.195 2.017 1.00 0.00 O ATOM 0 H GLY A 99 8.414 3.269 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.201 3.291 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.200 1.854 4.914 1.00 0.00 H new ATOM 1525 N GLU A 100 11.487 1.316 2.785 1.00 0.00 N ATOM 1526 CA GLU A 100 11.948 0.886 1.470 1.00 0.00 C ATOM 1527 C GLU A 100 10.769 0.545 0.564 1.00 0.00 C ATOM 1528 O GLU A 100 10.910 0.476 -0.657 1.00 0.00 O ATOM 1529 CB GLU A 100 12.873 -0.326 1.600 1.00 0.00 C ATOM 1530 CG GLU A 100 12.275 -1.463 2.411 1.00 0.00 C ATOM 1531 CD GLU A 100 13.227 -2.634 2.564 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.729 -3.127 1.532 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.468 -3.057 3.714 1.00 0.00 O ATOM 0 H GLU A 100 11.733 0.683 3.546 1.00 0.00 H new ATOM 0 HA GLU A 100 12.502 1.710 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.120 -0.692 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.807 -0.011 2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.998 -1.094 3.398 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.359 -1.805 1.930 1.00 0.00 H new ATOM 1540 N ARG A 101 9.606 0.332 1.171 1.00 0.00 N ATOM 1541 CA ARG A 101 8.403 -0.004 0.420 1.00 0.00 C ATOM 1542 C ARG A 101 8.662 -1.170 -0.529 1.00 0.00 C ATOM 1543 O ARG A 101 8.360 -1.094 -1.721 1.00 0.00 O ATOM 1544 CB ARG A 101 7.912 1.211 -0.369 1.00 0.00 C ATOM 1545 CG ARG A 101 6.585 0.984 -1.074 1.00 0.00 C ATOM 1546 CD ARG A 101 5.900 2.300 -1.409 1.00 0.00 C ATOM 1547 NE ARG A 101 6.721 3.139 -2.277 1.00 0.00 N ATOM 1548 CZ ARG A 101 6.790 2.987 -3.595 1.00 0.00 C ATOM 1549 NH1 ARG A 101 6.090 2.033 -4.193 1.00 0.00 N ATOM 1550 NH2 ARG A 101 7.560 3.791 -4.317 1.00 0.00 N ATOM 0 H ARG A 101 9.472 0.386 2.181 1.00 0.00 H new ATOM 0 HA ARG A 101 7.633 -0.302 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 101 7.813 2.058 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.665 1.482 -1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.750 0.415 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.933 0.384 -0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 101 4.946 2.098 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.679 2.839 -0.487 1.00 0.00 H new ATOM 0 HE ARG A 101 7.272 3.883 -1.848 1.00 0.00 H new ATOM 0 HH11 ARG A 101 5.497 1.414 -3.641 1.00 0.00 H new ATOM 0 HH12 ARG A 101 6.145 1.918 -5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 101 8.099 4.526 -3.860 1.00 0.00 H new ATOM 0 HH22 ARG A 101 7.613 3.674 -5.329 1.00 0.00 H new ATOM 1564 N THR A 102 9.224 -2.249 0.006 1.00 0.00 N ATOM 1565 CA THR A 102 9.526 -3.430 -0.793 1.00 0.00 C ATOM 1566 C THR A 102 8.921 -4.684 -0.171 1.00 0.00 C ATOM 1567 O THR A 102 8.833 -4.802 1.052 1.00 0.00 O ATOM 1568 CB THR A 102 11.045 -3.630 -0.948 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.666 -3.689 0.341 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.659 -2.500 -1.761 1.00 0.00 C ATOM 0 H THR A 102 9.479 -2.329 0.990 1.00 0.00 H new ATOM 0 HA THR A 102 9.086 -3.267 -1.777 1.00 0.00 H new ATOM 0 HB THR A 102 11.214 -4.569 -1.475 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.621 -3.486 0.254 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.732 -2.663 -1.857 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.205 -2.476 -2.752 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.480 -1.550 -1.257 1.00 0.00 H new ATOM 1578 N LEU A 103 8.506 -5.618 -1.019 1.00 0.00 N ATOM 1579 CA LEU A 103 7.910 -6.865 -0.553 1.00 0.00 C ATOM 1580 C LEU A 103 8.528 -7.303 0.771 1.00 0.00 C ATOM 1581 O LEU A 103 7.822 -7.527 1.754 1.00 0.00 O ATOM 1582 CB LEU A 103 8.091 -7.964 -1.602 1.00 0.00 C ATOM 1583 CG LEU A 103 7.606 -9.358 -1.204 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.119 -9.335 -0.884 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.900 -10.361 -2.310 1.00 0.00 C ATOM 0 H LEU A 103 8.571 -5.535 -2.034 1.00 0.00 H new ATOM 0 HA LEU A 103 6.845 -6.693 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.565 -7.663 -2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.150 -8.028 -1.854 1.00 0.00 H new ATOM 0 HG LEU A 103 8.145 -9.667 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.792 -10.336 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.935 -8.648 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.563 -9.005 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.548 -11.348 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.389 -10.056 -3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.974 -10.399 -2.491 1.00 0.00 H new ATOM 1597 N ASP A 104 9.852 -7.420 0.790 1.00 0.00 N ATOM 1598 CA ASP A 104 10.566 -7.827 1.994 1.00 0.00 C ATOM 1599 C ASP A 104 10.507 -6.735 3.057 1.00 0.00 C ATOM 1600 O ASP A 104 10.365 -7.018 4.245 1.00 0.00 O ATOM 1601 CB ASP A 104 12.023 -8.155 1.662 1.00 0.00 C ATOM 1602 CG ASP A 104 12.603 -9.211 2.581 1.00 0.00 C ATOM 1603 OD1 ASP A 104 11.879 -10.175 2.910 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.781 -9.075 2.972 1.00 0.00 O ATOM 0 H ASP A 104 10.452 -7.239 -0.015 1.00 0.00 H new ATOM 0 HA ASP A 104 10.081 -8.720 2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.089 -8.500 0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.622 -7.247 1.733 1.00 0.00 H new ATOM 1609 N GLY A 105 10.618 -5.484 2.619 1.00 0.00 N ATOM 1610 CA GLY A 105 10.576 -4.368 3.546 1.00 0.00 C ATOM 1611 C GLY A 105 9.291 -4.328 4.348 1.00 0.00 C ATOM 1612 O GLY A 105 9.310 -4.085 5.555 1.00 0.00 O ATOM 0 H GLY A 105 10.736 -5.224 1.640 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.424 -4.434 4.228 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.684 -3.435 2.992 1.00 0.00 H new ATOM 1616 N PHE A 106 8.168 -4.566 3.677 1.00 0.00 N ATOM 1617 CA PHE A 106 6.867 -4.554 4.335 1.00 0.00 C ATOM 1618 C PHE A 106 6.863 -5.478 5.550 1.00 0.00 C ATOM 1619 O PHE A 106 6.347 -5.125 6.610 1.00 0.00 O ATOM 1620 CB PHE A 106 5.772 -4.979 3.354 1.00 0.00 C ATOM 1621 CG PHE A 106 5.561 -4.003 2.232 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.545 -2.639 2.477 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.380 -4.449 0.933 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.350 -1.739 1.446 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.185 -3.553 -0.102 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.171 -2.196 0.155 1.00 0.00 C ATOM 0 H PHE A 106 8.133 -4.769 2.678 1.00 0.00 H new ATOM 0 HA PHE A 106 6.668 -3.537 4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.028 -5.952 2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.836 -5.103 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.686 -2.275 3.484 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.391 -5.509 0.726 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.338 -0.679 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.044 -3.914 -1.110 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.020 -1.494 -0.652 1.00 0.00 H new ATOM 1636 N LYS A 107 7.441 -6.663 5.386 1.00 0.00 N ATOM 1637 CA LYS A 107 7.506 -7.639 6.468 1.00 0.00 C ATOM 1638 C LYS A 107 8.299 -7.089 7.649 1.00 0.00 C ATOM 1639 O LYS A 107 8.034 -7.433 8.802 1.00 0.00 O ATOM 1640 CB LYS A 107 8.144 -8.938 5.972 1.00 0.00 C ATOM 1641 CG LYS A 107 7.710 -9.334 4.571 1.00 0.00 C ATOM 1642 CD LYS A 107 7.798 -10.836 4.363 1.00 0.00 C ATOM 1643 CE LYS A 107 7.690 -11.202 2.891 1.00 0.00 C ATOM 1644 NZ LYS A 107 7.501 -12.667 2.696 1.00 0.00 N ATOM 0 H LYS A 107 7.871 -6.971 4.514 1.00 0.00 H new ATOM 0 HA LYS A 107 6.489 -7.845 6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.228 -8.830 5.990 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.892 -9.743 6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.686 -9.001 4.399 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.337 -8.827 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.743 -11.205 4.762 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.002 -11.329 4.921 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.853 -10.665 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.591 -10.879 2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 8.174 -13.012 1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.667 -13.161 3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.530 -12.852 2.374 1.00 0.00 H new ATOM 1658 N LYS A 108 9.271 -6.233 7.356 1.00 0.00 N ATOM 1659 CA LYS A 108 10.101 -5.633 8.394 1.00 0.00 C ATOM 1660 C LYS A 108 9.275 -4.712 9.287 1.00 0.00 C ATOM 1661 O LYS A 108 9.411 -4.732 10.511 1.00 0.00 O ATOM 1662 CB LYS A 108 11.255 -4.849 7.764 1.00 0.00 C ATOM 1663 CG LYS A 108 11.949 -5.591 6.635 1.00 0.00 C ATOM 1664 CD LYS A 108 12.556 -6.898 7.117 1.00 0.00 C ATOM 1665 CE LYS A 108 11.573 -8.051 6.985 1.00 0.00 C ATOM 1666 NZ LYS A 108 12.213 -9.362 7.283 1.00 0.00 N ATOM 0 H LYS A 108 9.504 -5.939 6.408 1.00 0.00 H new ATOM 0 HA LYS A 108 10.508 -6.437 9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.875 -3.901 7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.987 -4.613 8.536 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.234 -5.793 5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 108 12.730 -4.961 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.455 -7.117 6.541 1.00 0.00 H new ATOM 0 HD3 LYS A 108 12.862 -6.796 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 108 10.735 -7.893 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 108 11.166 -8.067 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.510 -10.122 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 12.997 -9.525 6.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.579 -9.356 8.256 1.00 0.00 H new ATOM 1680 N PHE A 109 8.418 -3.908 8.668 1.00 0.00 N ATOM 1681 CA PHE A 109 7.569 -2.980 9.407 1.00 0.00 C ATOM 1682 C PHE A 109 6.478 -3.729 10.165 1.00 0.00 C ATOM 1683 O PHE A 109 6.181 -3.416 11.319 1.00 0.00 O ATOM 1684 CB PHE A 109 6.938 -1.963 8.453 1.00 0.00 C ATOM 1685 CG PHE A 109 6.139 -0.901 9.153 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.760 0.227 9.665 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.767 -1.031 9.299 1.00 0.00 C ATOM 1688 CE1 PHE A 109 6.027 1.205 10.310 1.00 0.00 C ATOM 1689 CE2 PHE A 109 4.029 -0.056 9.943 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.660 1.064 10.448 1.00 0.00 C ATOM 0 H PHE A 109 8.292 -3.880 7.656 1.00 0.00 H new ATOM 0 HA PHE A 109 8.192 -2.452 10.129 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.726 -1.488 7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.292 -2.488 7.750 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.828 0.343 9.559 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.269 -1.904 8.905 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.523 2.079 10.706 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.960 -0.170 10.051 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.085 1.828 10.950 1.00 0.00 H new ATOM 1700 N LEU A 110 5.882 -4.718 9.509 1.00 0.00 N ATOM 1701 CA LEU A 110 4.822 -5.512 10.121 1.00 0.00 C ATOM 1702 C LEU A 110 5.368 -6.363 11.263 1.00 0.00 C ATOM 1703 O LEU A 110 4.977 -6.193 12.417 1.00 0.00 O ATOM 1704 CB LEU A 110 4.161 -6.410 9.073 1.00 0.00 C ATOM 1705 CG LEU A 110 3.478 -5.691 7.908 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.346 -6.620 6.712 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.114 -5.166 8.331 1.00 0.00 C ATOM 0 H LEU A 110 6.114 -4.990 8.554 1.00 0.00 H new ATOM 0 HA LEU A 110 4.078 -4.827 10.527 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.919 -7.079 8.667 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.420 -7.034 9.573 1.00 0.00 H new ATOM 0 HG LEU A 110 4.097 -4.842 7.617 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.858 -6.092 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.336 -6.947 6.394 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.749 -7.489 6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.643 -4.658 7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.486 -5.998 8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.234 -4.465 9.157 1.00 0.00 H new ATOM 1719 N GLU A 111 6.276 -7.276 10.932 1.00 0.00 N ATOM 1720 CA GLU A 111 6.876 -8.152 11.932 1.00 0.00 C ATOM 1721 C GLU A 111 7.180 -7.384 13.215 1.00 0.00 C ATOM 1722 O GLU A 111 7.000 -7.901 14.318 1.00 0.00 O ATOM 1723 CB GLU A 111 8.159 -8.781 11.386 1.00 0.00 C ATOM 1724 CG GLU A 111 7.911 -9.928 10.420 1.00 0.00 C ATOM 1725 CD GLU A 111 9.069 -10.906 10.366 1.00 0.00 C ATOM 1726 OE1 GLU A 111 10.112 -10.557 9.774 1.00 0.00 O ATOM 1727 OE2 GLU A 111 8.932 -12.019 10.915 1.00 0.00 O ATOM 0 H GLU A 111 6.612 -7.428 9.981 1.00 0.00 H new ATOM 0 HA GLU A 111 6.161 -8.942 12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.744 -8.012 10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.760 -9.143 12.220 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.006 -10.458 10.716 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.733 -9.526 9.423 1.00 0.00 H new ATOM 1734 N SER A 112 7.642 -6.147 13.063 1.00 0.00 N ATOM 1735 CA SER A 112 7.976 -5.309 14.209 1.00 0.00 C ATOM 1736 C SER A 112 6.722 -4.947 15.000 1.00 0.00 C ATOM 1737 O SER A 112 6.748 -4.876 16.227 1.00 0.00 O ATOM 1738 CB SER A 112 8.687 -4.036 13.747 1.00 0.00 C ATOM 1739 OG SER A 112 9.932 -4.339 13.142 1.00 0.00 O ATOM 0 H SER A 112 7.794 -5.703 12.157 1.00 0.00 H new ATOM 0 HA SER A 112 8.644 -5.874 14.859 1.00 0.00 H new ATOM 0 HB2 SER A 112 8.056 -3.500 13.039 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.844 -3.374 14.598 1.00 0.00 H new ATOM 0 HG SER A 112 9.796 -4.524 12.189 1.00 0.00 H new ATOM 1745 N GLY A 113 5.625 -4.718 14.285 1.00 0.00 N ATOM 1746 CA GLY A 113 4.376 -4.365 14.935 1.00 0.00 C ATOM 1747 C GLY A 113 3.954 -2.938 14.644 1.00 0.00 C ATOM 1748 O GLY A 113 3.259 -2.314 15.445 1.00 0.00 O ATOM 0 H GLY A 113 5.579 -4.771 13.267 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.593 -5.047 14.604 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.480 -4.497 16.012 1.00 0.00 H new ATOM 1752 N GLY A 114 4.376 -2.420 13.494 1.00 0.00 N ATOM 1753 CA GLY A 114 4.029 -1.061 13.121 1.00 0.00 C ATOM 1754 C GLY A 114 4.603 -0.034 14.076 1.00 0.00 C ATOM 1755 O GLY A 114 3.927 0.928 14.441 1.00 0.00 O ATOM 0 H GLY A 114 4.952 -2.917 12.814 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.393 -0.860 12.114 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.944 -0.961 13.093 1.00 0.00 H new