USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 631 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 73 LYS NZ :NH3+ -152:sc= -0.144 (180deg=-0.455) USER MOD Set 1.2: A 75 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 29 MET CE :methyl -150:sc= 0 (180deg=-0.0217) USER MOD Set 2.2: A 30 TYR OH : rot -8:sc= 0.729 USER MOD Set 3.1: A 7 GLN : amide:sc= 0.306 X(o=-0.014,f=-0.41) USER MOD Set 3.2: A 8 TYR OH : rot 178:sc= 0.734 USER MOD Set 3.3: A 82 HIS : no HD1:sc= -1.05 X(o=-0.014,f=-0.47) USER MOD Single : A 1 GLY N :NH3+ -141:sc= 0.00949 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 21 HIS : no HE2:sc= 0.239 K(o=0.24,f=-4.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.149 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.522 K(o=-0.52,f=-4.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0715 X(o=-0.072,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.388 K(o=0.39,f=-0.16) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 44 ASN : amide:sc= 1.27 K(o=1.3,f=-0.037) USER MOD Single : A 52 SER OG : rot -34:sc= 0.474 USER MOD Single : A 53 HIS : no HE2:sc= 0.56 K(o=0.56,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot 171:sc= 0.0746 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -135:sc= -0.994 (180deg=-1.29) USER MOD Single : A 60 ASN : amide:sc= -0.0121 K(o=-0.012,f=-2.4!) USER MOD Single : A 61 TYR OH : rot -136:sc= 1.02 USER MOD Single : A 65 THR OG1 : rot -160:sc= 0.14 USER MOD Single : A 67 THR OG1 : rot -38:sc= 0.084 USER MOD Single : A 70 LYS NZ :NH3+ 170:sc= 1.23 (180deg=1.21) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.485 -20.757 -5.619 1.00 0.00 N ATOM 2 CA GLY A 1 -12.022 -20.260 -6.927 1.00 0.00 C ATOM 3 C GLY A 1 -10.765 -19.419 -6.781 1.00 0.00 C ATOM 4 O GLY A 1 -9.866 -19.824 -6.049 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.831 -21.733 -5.721 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.696 -20.738 -4.941 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.255 -20.151 -5.270 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.824 -21.102 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.808 -19.666 -7.392 1.00 0.00 H new ATOM 8 N ALA A 2 -10.682 -18.295 -7.508 1.00 0.00 N ATOM 9 CA ALA A 2 -9.862 -17.101 -7.250 1.00 0.00 C ATOM 10 C ALA A 2 -8.393 -17.317 -6.825 1.00 0.00 C ATOM 11 O ALA A 2 -7.842 -16.476 -6.114 1.00 0.00 O ATOM 12 CB ALA A 2 -10.619 -16.181 -6.281 1.00 0.00 C ATOM 0 H ALA A 2 -11.231 -18.189 -8.361 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.730 -16.631 -8.225 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.021 -15.292 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.570 -15.887 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.804 -16.711 -5.346 1.00 0.00 H new ATOM 18 N ALA A 3 -7.749 -18.419 -7.228 1.00 0.00 N ATOM 19 CA ALA A 3 -6.396 -18.772 -6.809 1.00 0.00 C ATOM 20 C ALA A 3 -5.367 -17.890 -7.528 1.00 0.00 C ATOM 21 O ALA A 3 -4.742 -18.320 -8.498 1.00 0.00 O ATOM 22 CB ALA A 3 -6.144 -20.269 -7.038 1.00 0.00 C ATOM 0 H ALA A 3 -8.164 -19.099 -7.865 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.287 -18.585 -5.741 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.132 -20.520 -6.722 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.860 -20.851 -6.458 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.261 -20.500 -8.097 1.00 0.00 H new ATOM 28 N GLY A 4 -5.226 -16.653 -7.075 1.00 0.00 N ATOM 29 CA GLY A 4 -4.301 -15.657 -7.574 1.00 0.00 C ATOM 30 C GLY A 4 -4.218 -14.577 -6.518 1.00 0.00 C ATOM 31 O GLY A 4 -3.755 -14.841 -5.404 1.00 0.00 O ATOM 0 H GLY A 4 -5.791 -16.301 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.320 -16.096 -7.757 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.648 -15.246 -8.522 1.00 0.00 H new ATOM 35 N ILE A 5 -4.730 -13.389 -6.822 1.00 0.00 N ATOM 36 CA ILE A 5 -4.680 -12.254 -5.912 1.00 0.00 C ATOM 37 C ILE A 5 -6.062 -11.721 -5.566 1.00 0.00 C ATOM 38 O ILE A 5 -6.215 -11.041 -4.554 1.00 0.00 O ATOM 39 CB ILE A 5 -3.768 -11.139 -6.470 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.384 -10.413 -7.683 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.362 -11.669 -6.806 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.605 -9.152 -8.049 1.00 0.00 C ATOM 0 H ILE A 5 -5.192 -13.187 -7.709 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.247 -12.614 -4.979 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.673 -10.402 -5.673 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.404 -11.088 -8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.418 -10.149 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.750 -10.856 -7.196 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.900 -12.071 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.440 -12.456 -7.556 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.073 -8.672 -8.908 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.607 -8.464 -7.203 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.578 -9.418 -8.297 1.00 0.00 H new ATOM 54 N ASP A 6 -7.074 -12.030 -6.376 1.00 0.00 N ATOM 55 CA ASP A 6 -8.384 -11.393 -6.272 1.00 0.00 C ATOM 56 C ASP A 6 -9.096 -11.818 -4.988 1.00 0.00 C ATOM 57 O ASP A 6 -9.928 -11.084 -4.460 1.00 0.00 O ATOM 58 CB ASP A 6 -9.199 -11.753 -7.511 1.00 0.00 C ATOM 59 CG ASP A 6 -10.312 -10.748 -7.820 1.00 0.00 C ATOM 60 OD1 ASP A 6 -9.993 -9.620 -8.265 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.494 -11.159 -7.835 1.00 0.00 O ATOM 0 H ASP A 6 -7.009 -12.726 -7.119 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.267 -10.310 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.531 -11.819 -8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.639 -12.740 -7.373 1.00 0.00 H new ATOM 66 N GLN A 7 -8.708 -12.969 -4.433 1.00 0.00 N ATOM 67 CA GLN A 7 -9.147 -13.445 -3.131 1.00 0.00 C ATOM 68 C GLN A 7 -8.700 -12.532 -1.974 1.00 0.00 C ATOM 69 O GLN A 7 -9.366 -12.495 -0.937 1.00 0.00 O ATOM 70 CB GLN A 7 -8.631 -14.882 -2.992 1.00 0.00 C ATOM 71 CG GLN A 7 -7.112 -15.022 -2.866 1.00 0.00 C ATOM 72 CD GLN A 7 -6.669 -16.421 -3.278 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.361 -17.422 -3.088 1.00 0.00 O ATOM 74 NE2 GLN A 7 -5.517 -16.526 -3.910 1.00 0.00 N ATOM 0 H GLN A 7 -8.062 -13.609 -4.895 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.235 -13.425 -3.068 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.095 -15.334 -2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.962 -15.455 -3.859 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.619 -14.279 -3.493 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.807 -14.825 -1.838 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -4.944 -15.697 -4.067 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.198 -17.436 -4.242 1.00 0.00 H new ATOM 83 N TYR A 8 -7.601 -11.790 -2.143 1.00 0.00 N ATOM 84 CA TYR A 8 -7.072 -10.851 -1.158 1.00 0.00 C ATOM 85 C TYR A 8 -7.469 -9.411 -1.482 1.00 0.00 C ATOM 86 O TYR A 8 -7.035 -8.505 -0.771 1.00 0.00 O ATOM 87 CB TYR A 8 -5.540 -10.956 -1.104 1.00 0.00 C ATOM 88 CG TYR A 8 -5.013 -12.363 -0.951 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.213 -13.056 0.253 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.358 -12.986 -2.027 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.750 -14.376 0.389 1.00 0.00 C ATOM 92 CE2 TYR A 8 -3.911 -14.312 -1.905 1.00 0.00 C ATOM 93 CZ TYR A 8 -4.096 -15.007 -0.691 1.00 0.00 C ATOM 94 OH TYR A 8 -3.646 -16.282 -0.576 1.00 0.00 O ATOM 0 H TYR A 8 -7.041 -11.830 -2.995 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.498 -11.113 -0.190 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.127 -10.524 -2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.176 -10.353 -0.272 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.723 -12.575 1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.198 -12.445 -2.948 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.894 -14.907 1.318 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.427 -14.799 -2.739 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.251 -16.567 -1.426 1.00 0.00 H new ATOM 104 N ALA A 9 -8.221 -9.172 -2.565 1.00 0.00 N ATOM 105 CA ALA A 9 -8.658 -7.842 -2.945 1.00 0.00 C ATOM 106 C ALA A 9 -9.651 -7.338 -1.895 1.00 0.00 C ATOM 107 O ALA A 9 -10.820 -7.727 -1.889 1.00 0.00 O ATOM 108 CB ALA A 9 -9.254 -7.863 -4.359 1.00 0.00 C ATOM 0 H ALA A 9 -8.539 -9.906 -3.198 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.814 -7.153 -2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.578 -6.859 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.499 -8.206 -5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.108 -8.539 -4.384 1.00 0.00 H new ATOM 114 N LEU A 10 -9.188 -6.479 -0.988 1.00 0.00 N ATOM 115 CA LEU A 10 -10.060 -5.754 -0.073 1.00 0.00 C ATOM 116 C LEU A 10 -10.565 -4.520 -0.821 1.00 0.00 C ATOM 117 O LEU A 10 -9.881 -4.001 -1.714 1.00 0.00 O ATOM 118 CB LEU A 10 -9.294 -5.342 1.195 1.00 0.00 C ATOM 119 CG LEU A 10 -8.722 -6.501 2.041 1.00 0.00 C ATOM 120 CD1 LEU A 10 -7.904 -5.934 3.209 1.00 0.00 C ATOM 121 CD2 LEU A 10 -9.816 -7.420 2.593 1.00 0.00 C ATOM 0 H LEU A 10 -8.197 -6.268 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.893 -6.382 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.471 -4.689 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.961 -4.753 1.824 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.090 -7.097 1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.502 -6.754 3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.083 -5.332 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.545 -5.313 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.360 -8.217 3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.490 -6.843 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.378 -7.854 1.766 1.00 0.00 H new ATOM 133 N LYS A 11 -11.759 -4.037 -0.481 1.00 0.00 N ATOM 134 CA LYS A 11 -12.307 -2.787 -1.012 1.00 0.00 C ATOM 135 C LYS A 11 -12.166 -1.636 -0.015 1.00 0.00 C ATOM 136 O LYS A 11 -12.436 -0.482 -0.348 1.00 0.00 O ATOM 137 CB LYS A 11 -13.799 -2.990 -1.280 1.00 0.00 C ATOM 138 CG LYS A 11 -14.099 -3.944 -2.440 1.00 0.00 C ATOM 139 CD LYS A 11 -15.611 -4.094 -2.650 1.00 0.00 C ATOM 140 CE LYS A 11 -16.338 -4.719 -1.450 1.00 0.00 C ATOM 141 NZ LYS A 11 -16.064 -6.160 -1.265 1.00 0.00 N ATOM 0 H LYS A 11 -12.381 -4.506 0.178 1.00 0.00 H new ATOM 0 HA LYS A 11 -11.757 -2.535 -1.919 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.271 -3.374 -0.376 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.255 -2.023 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.637 -3.569 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.658 -4.920 -2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.040 -3.113 -2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.788 -4.709 -3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.048 -4.185 -0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.412 -4.577 -1.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.588 -6.510 -0.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -16.366 -6.682 -2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.045 -6.303 -1.115 1.00 0.00 H new ATOM 155 N GLU A 12 -11.833 -1.955 1.227 1.00 0.00 N ATOM 156 CA GLU A 12 -12.117 -1.154 2.401 1.00 0.00 C ATOM 157 C GLU A 12 -11.487 -1.877 3.579 1.00 0.00 C ATOM 158 O GLU A 12 -11.269 -3.090 3.506 1.00 0.00 O ATOM 159 CB GLU A 12 -13.638 -1.031 2.613 1.00 0.00 C ATOM 160 CG GLU A 12 -14.352 -2.390 2.716 1.00 0.00 C ATOM 161 CD GLU A 12 -15.836 -2.353 2.347 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.639 -1.933 3.210 1.00 0.00 O ATOM 163 OE2 GLU A 12 -16.199 -2.812 1.238 1.00 0.00 O ATOM 0 H GLU A 12 -11.336 -2.817 1.450 1.00 0.00 H new ATOM 0 HA GLU A 12 -11.717 -0.146 2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.826 -0.460 3.523 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.068 -0.465 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.846 -3.103 2.065 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.253 -2.763 3.735 1.00 0.00 H new ATOM 170 N PHE A 13 -11.191 -1.134 4.637 1.00 0.00 N ATOM 171 CA PHE A 13 -10.554 -1.637 5.850 1.00 0.00 C ATOM 172 C PHE A 13 -10.554 -0.532 6.917 1.00 0.00 C ATOM 173 O PHE A 13 -10.996 0.595 6.657 1.00 0.00 O ATOM 174 CB PHE A 13 -9.109 -2.106 5.562 1.00 0.00 C ATOM 175 CG PHE A 13 -8.179 -0.985 5.146 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.211 -0.475 3.834 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.283 -0.441 6.082 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.376 0.596 3.476 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.452 0.631 5.728 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.518 1.161 4.430 1.00 0.00 C ATOM 0 H PHE A 13 -11.393 -0.135 4.678 1.00 0.00 H new ATOM 0 HA PHE A 13 -11.117 -2.496 6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.708 -2.588 6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -9.131 -2.860 4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.878 -0.908 3.103 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.234 -0.851 7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.395 0.983 2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.765 1.047 6.450 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.904 2.009 4.165 1.00 0.00 H new ATOM 190 N THR A 14 -9.984 -0.840 8.083 1.00 0.00 N ATOM 191 CA THR A 14 -9.674 0.096 9.147 1.00 0.00 C ATOM 192 C THR A 14 -8.185 -0.088 9.459 1.00 0.00 C ATOM 193 O THR A 14 -7.723 -1.229 9.552 1.00 0.00 O ATOM 194 CB THR A 14 -10.539 -0.186 10.397 1.00 0.00 C ATOM 195 OG1 THR A 14 -11.839 -0.673 10.084 1.00 0.00 O ATOM 196 CG2 THR A 14 -10.669 1.074 11.257 1.00 0.00 C ATOM 0 H THR A 14 -9.716 -1.796 8.315 1.00 0.00 H new ATOM 0 HA THR A 14 -9.889 1.121 8.846 1.00 0.00 H new ATOM 0 HB THR A 14 -10.020 -0.970 10.949 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.336 -0.834 10.913 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.281 0.856 12.132 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.679 1.399 11.578 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.139 1.866 10.674 1.00 0.00 H new ATOM 204 N ALA A 15 -7.427 0.998 9.616 1.00 0.00 N ATOM 205 CA ALA A 15 -6.099 0.984 10.225 1.00 0.00 C ATOM 206 C ALA A 15 -6.090 2.131 11.216 1.00 0.00 C ATOM 207 O ALA A 15 -6.553 3.210 10.855 1.00 0.00 O ATOM 208 CB ALA A 15 -4.984 1.201 9.185 1.00 0.00 C ATOM 0 H ALA A 15 -7.725 1.927 9.318 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.908 0.018 10.692 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.014 1.183 9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.024 0.408 8.438 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.124 2.166 8.697 1.00 0.00 H new ATOM 214 N ASP A 16 -5.533 1.953 12.420 1.00 0.00 N ATOM 215 CA ASP A 16 -5.273 3.085 13.330 1.00 0.00 C ATOM 216 C ASP A 16 -6.576 3.832 13.656 1.00 0.00 C ATOM 217 O ASP A 16 -6.626 5.061 13.751 1.00 0.00 O ATOM 218 CB ASP A 16 -4.214 3.981 12.663 1.00 0.00 C ATOM 219 CG ASP A 16 -3.051 4.397 13.551 1.00 0.00 C ATOM 220 OD1 ASP A 16 -3.280 4.844 14.698 1.00 0.00 O ATOM 221 OD2 ASP A 16 -1.903 4.276 13.070 1.00 0.00 O ATOM 0 H ASP A 16 -5.254 1.044 12.789 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.888 2.740 14.290 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.815 3.457 11.795 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.706 4.881 12.294 1.00 0.00 H new ATOM 226 N PHE A 17 -7.665 3.059 13.735 1.00 0.00 N ATOM 227 CA PHE A 17 -9.058 3.482 13.934 1.00 0.00 C ATOM 228 C PHE A 17 -9.592 4.425 12.854 1.00 0.00 C ATOM 229 O PHE A 17 -10.658 5.023 12.993 1.00 0.00 O ATOM 230 CB PHE A 17 -9.247 4.057 15.343 1.00 0.00 C ATOM 231 CG PHE A 17 -8.608 3.210 16.420 1.00 0.00 C ATOM 232 CD1 PHE A 17 -9.262 2.064 16.906 1.00 0.00 C ATOM 233 CD2 PHE A 17 -7.314 3.523 16.869 1.00 0.00 C ATOM 234 CE1 PHE A 17 -8.617 1.233 17.834 1.00 0.00 C ATOM 235 CE2 PHE A 17 -6.679 2.699 17.807 1.00 0.00 C ATOM 236 CZ PHE A 17 -7.321 1.549 18.281 1.00 0.00 C ATOM 0 H PHE A 17 -7.591 2.045 13.656 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.666 2.583 13.835 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.823 5.061 15.379 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.313 4.153 15.550 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.259 1.824 16.566 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.809 4.399 16.491 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.116 0.350 18.206 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.692 2.952 18.165 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.822 0.905 18.989 1.00 0.00 H new ATOM 246 N THR A 18 -8.884 4.509 11.742 1.00 0.00 N ATOM 247 CA THR A 18 -9.199 5.351 10.606 1.00 0.00 C ATOM 248 C THR A 18 -9.797 4.449 9.524 1.00 0.00 C ATOM 249 O THR A 18 -9.298 3.346 9.276 1.00 0.00 O ATOM 250 CB THR A 18 -7.907 6.045 10.160 1.00 0.00 C ATOM 251 OG1 THR A 18 -7.211 6.566 11.281 1.00 0.00 O ATOM 252 CG2 THR A 18 -8.153 7.195 9.181 1.00 0.00 C ATOM 0 H THR A 18 -8.033 3.965 11.602 1.00 0.00 H new ATOM 0 HA THR A 18 -9.925 6.130 10.838 1.00 0.00 H new ATOM 0 HB THR A 18 -7.318 5.280 9.653 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.388 7.004 10.980 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.200 7.646 8.903 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.648 6.813 8.288 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.786 7.946 9.654 1.00 0.00 H new ATOM 260 N GLN A 19 -10.892 4.905 8.925 1.00 0.00 N ATOM 261 CA GLN A 19 -11.684 4.204 7.929 1.00 0.00 C ATOM 262 C GLN A 19 -11.150 4.539 6.537 1.00 0.00 C ATOM 263 O GLN A 19 -10.819 5.698 6.275 1.00 0.00 O ATOM 264 CB GLN A 19 -13.118 4.727 8.089 1.00 0.00 C ATOM 265 CG GLN A 19 -14.173 3.982 7.275 1.00 0.00 C ATOM 266 CD GLN A 19 -14.913 2.955 8.114 1.00 0.00 C ATOM 267 OE1 GLN A 19 -15.648 3.320 9.019 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.731 1.669 7.889 1.00 0.00 N ATOM 0 H GLN A 19 -11.270 5.828 9.137 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.643 3.122 8.055 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.391 4.676 9.143 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.138 5.779 7.805 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.886 4.697 6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.696 3.485 6.430 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.117 1.365 7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.204 0.978 8.471 1.00 0.00 H new ATOM 277 N PHE A 20 -11.124 3.565 5.623 1.00 0.00 N ATOM 278 CA PHE A 20 -10.631 3.776 4.266 1.00 0.00 C ATOM 279 C PHE A 20 -11.385 2.930 3.257 1.00 0.00 C ATOM 280 O PHE A 20 -11.889 1.853 3.592 1.00 0.00 O ATOM 281 CB PHE A 20 -9.165 3.366 4.212 1.00 0.00 C ATOM 282 CG PHE A 20 -8.248 4.109 5.158 1.00 0.00 C ATOM 283 CD1 PHE A 20 -7.825 5.420 4.869 1.00 0.00 C ATOM 284 CD2 PHE A 20 -7.846 3.488 6.351 1.00 0.00 C ATOM 285 CE1 PHE A 20 -6.953 6.086 5.745 1.00 0.00 C ATOM 286 CE2 PHE A 20 -6.960 4.148 7.218 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.499 5.439 6.908 1.00 0.00 C ATOM 0 H PHE A 20 -11.443 2.614 5.805 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.769 4.828 4.017 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.095 2.300 4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -8.802 3.509 3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.171 5.914 3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.217 2.505 6.601 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.631 7.093 5.526 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.632 3.662 8.125 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.797 5.934 7.562 1.00 0.00 H new ATOM 297 N HIS A 21 -11.389 3.383 2.004 1.00 0.00 N ATOM 298 CA HIS A 21 -12.043 2.721 0.885 1.00 0.00 C ATOM 299 C HIS A 21 -11.194 2.954 -0.365 1.00 0.00 C ATOM 300 O HIS A 21 -10.297 3.806 -0.356 1.00 0.00 O ATOM 301 CB HIS A 21 -13.463 3.283 0.692 1.00 0.00 C ATOM 302 CG HIS A 21 -14.226 3.509 1.976 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.146 4.636 2.762 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.063 2.626 2.601 1.00 0.00 C ATOM 305 CE1 HIS A 21 -14.906 4.438 3.847 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.473 3.217 3.805 1.00 0.00 N ATOM 0 H HIS A 21 -10.921 4.249 1.735 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.133 1.652 1.076 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.396 4.228 0.153 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.030 2.596 0.063 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.603 5.474 2.555 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.355 1.653 2.235 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.044 5.155 4.642 1.00 0.00 H new ATOM 314 N ILE A 22 -11.477 2.224 -1.447 1.00 0.00 N ATOM 315 CA ILE A 22 -10.916 2.522 -2.760 1.00 0.00 C ATOM 316 C ILE A 22 -11.343 3.943 -3.117 1.00 0.00 C ATOM 317 O ILE A 22 -12.536 4.217 -3.235 1.00 0.00 O ATOM 318 CB ILE A 22 -11.378 1.507 -3.832 1.00 0.00 C ATOM 319 CG1 ILE A 22 -11.097 0.039 -3.461 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.742 1.820 -5.196 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.677 -0.263 -2.965 1.00 0.00 C ATOM 0 H ILE A 22 -12.098 1.415 -1.434 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.829 2.442 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.461 1.620 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.804 -0.263 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.296 -0.582 -4.335 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.083 1.092 -5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.035 2.821 -5.513 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.656 1.769 -5.111 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.591 -1.324 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.957 -0.002 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.473 0.322 -2.068 1.00 0.00 H new ATOM 333 N GLY A 23 -10.378 4.843 -3.274 1.00 0.00 N ATOM 334 CA GLY A 23 -10.622 6.217 -3.685 1.00 0.00 C ATOM 335 C GLY A 23 -10.546 7.236 -2.550 1.00 0.00 C ATOM 336 O GLY A 23 -10.491 8.428 -2.847 1.00 0.00 O ATOM 0 H GLY A 23 -9.392 4.634 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.896 6.489 -4.451 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.608 6.276 -4.145 1.00 0.00 H new ATOM 340 N ASP A 24 -10.511 6.816 -1.282 1.00 0.00 N ATOM 341 CA ASP A 24 -10.244 7.721 -0.154 1.00 0.00 C ATOM 342 C ASP A 24 -8.731 8.026 -0.163 1.00 0.00 C ATOM 343 O ASP A 24 -8.014 7.522 -1.032 1.00 0.00 O ATOM 344 CB ASP A 24 -10.726 7.097 1.177 1.00 0.00 C ATOM 345 CG ASP A 24 -12.254 7.000 1.337 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.975 6.737 0.352 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.752 7.073 2.485 1.00 0.00 O ATOM 0 H ASP A 24 -10.666 5.846 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.798 8.655 -0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.303 6.096 1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.326 7.686 2.002 1.00 0.00 H new ATOM 352 N THR A 25 -8.178 8.805 0.772 1.00 0.00 N ATOM 353 CA THR A 25 -6.760 9.121 0.825 1.00 0.00 C ATOM 354 C THR A 25 -6.183 8.598 2.143 1.00 0.00 C ATOM 355 O THR A 25 -6.868 8.608 3.173 1.00 0.00 O ATOM 356 CB THR A 25 -6.564 10.642 0.730 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.660 11.416 1.181 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.195 11.133 -0.676 1.00 0.00 C ATOM 0 H THR A 25 -8.718 9.237 1.522 1.00 0.00 H new ATOM 0 HA THR A 25 -6.244 8.649 -0.011 1.00 0.00 H new ATOM 0 HB THR A 25 -5.726 10.798 1.409 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.449 12.368 1.086 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.073 12.216 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.261 10.667 -0.991 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.988 10.865 -1.375 1.00 0.00 H new ATOM 366 N VAL A 26 -4.913 8.187 2.152 1.00 0.00 N ATOM 367 CA VAL A 26 -4.218 7.858 3.396 1.00 0.00 C ATOM 368 C VAL A 26 -3.814 9.142 4.140 1.00 0.00 C ATOM 369 O VAL A 26 -3.816 10.227 3.551 1.00 0.00 O ATOM 370 CB VAL A 26 -3.009 6.932 3.132 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.457 5.670 2.390 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.850 7.563 2.355 1.00 0.00 C ATOM 0 H VAL A 26 -4.346 8.074 1.312 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.901 7.305 4.041 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.624 6.706 4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.595 5.028 2.211 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.190 5.134 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.906 5.949 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.056 6.828 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.203 7.892 1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.465 8.420 2.908 1.00 0.00 H new ATOM 382 N PRO A 27 -3.478 9.056 5.432 1.00 0.00 N ATOM 383 CA PRO A 27 -2.695 10.070 6.123 1.00 0.00 C ATOM 384 C PRO A 27 -1.212 9.994 5.733 1.00 0.00 C ATOM 385 O PRO A 27 -0.711 8.951 5.305 1.00 0.00 O ATOM 386 CB PRO A 27 -2.864 9.762 7.609 1.00 0.00 C ATOM 387 CG PRO A 27 -3.058 8.254 7.598 1.00 0.00 C ATOM 388 CD PRO A 27 -3.890 8.015 6.353 1.00 0.00 C ATOM 0 HA PRO A 27 -3.031 11.074 5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.989 10.057 8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.721 10.281 8.039 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.105 7.727 7.552 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.570 7.908 8.496 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.707 7.024 5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.956 8.078 6.571 1.00 0.00 H new ATOM 396 N ALA A 28 -0.483 11.084 5.979 1.00 0.00 N ATOM 397 CA ALA A 28 0.933 11.222 5.659 1.00 0.00 C ATOM 398 C ALA A 28 1.821 10.233 6.420 1.00 0.00 C ATOM 399 O ALA A 28 2.887 9.865 5.926 1.00 0.00 O ATOM 400 CB ALA A 28 1.369 12.657 5.953 1.00 0.00 C ATOM 0 H ALA A 28 -0.875 11.917 6.419 1.00 0.00 H new ATOM 0 HA ALA A 28 1.056 10.991 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.427 12.771 5.717 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.785 13.347 5.344 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.207 12.878 7.008 1.00 0.00 H new ATOM 406 N MET A 29 1.347 9.738 7.566 1.00 0.00 N ATOM 407 CA MET A 29 2.024 8.736 8.385 1.00 0.00 C ATOM 408 C MET A 29 2.407 7.477 7.616 1.00 0.00 C ATOM 409 O MET A 29 3.303 6.763 8.057 1.00 0.00 O ATOM 410 CB MET A 29 1.189 8.366 9.624 1.00 0.00 C ATOM 411 CG MET A 29 -0.266 8.040 9.368 1.00 0.00 C ATOM 412 SD MET A 29 -1.387 8.144 10.796 1.00 0.00 S ATOM 413 CE MET A 29 -0.490 7.249 12.099 1.00 0.00 C ATOM 0 H MET A 29 0.454 10.034 7.959 1.00 0.00 H new ATOM 0 HA MET A 29 2.954 9.205 8.706 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.654 7.507 10.108 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.237 9.194 10.331 1.00 0.00 H new ATOM 0 HG2 MET A 29 -0.635 8.714 8.595 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.323 7.030 8.963 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.204 6.788 12.781 1.00 0.00 H new ATOM 0 HE2 MET A 29 0.132 6.476 11.647 1.00 0.00 H new ATOM 0 HE3 MET A 29 0.141 7.946 12.651 1.00 0.00 H new ATOM 423 N TYR A 30 1.751 7.225 6.484 1.00 0.00 N ATOM 424 CA TYR A 30 1.943 6.035 5.661 1.00 0.00 C ATOM 425 C TYR A 30 2.463 6.368 4.258 1.00 0.00 C ATOM 426 O TYR A 30 2.809 5.461 3.500 1.00 0.00 O ATOM 427 CB TYR A 30 0.594 5.321 5.573 1.00 0.00 C ATOM 428 CG TYR A 30 -0.124 5.105 6.902 1.00 0.00 C ATOM 429 CD1 TYR A 30 0.563 4.821 8.104 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.511 5.295 6.940 1.00 0.00 C ATOM 431 CE1 TYR A 30 -0.132 4.724 9.323 1.00 0.00 C ATOM 432 CE2 TYR A 30 -2.226 5.146 8.134 1.00 0.00 C ATOM 433 CZ TYR A 30 -1.538 4.866 9.331 1.00 0.00 C ATOM 434 OH TYR A 30 -2.260 4.822 10.478 1.00 0.00 O ATOM 0 H TYR A 30 1.051 7.863 6.105 1.00 0.00 H new ATOM 0 HA TYR A 30 2.701 5.400 6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.059 5.896 4.917 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.747 4.351 5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 30 1.633 4.677 8.086 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.037 5.560 6.035 1.00 0.00 H new ATOM 0 HE1 TYR A 30 0.403 4.543 10.243 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.301 5.245 8.138 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.678 4.557 11.221 1.00 0.00 H new ATOM 444 N LEU A 31 2.511 7.661 3.911 1.00 0.00 N ATOM 445 CA LEU A 31 3.165 8.197 2.724 1.00 0.00 C ATOM 446 C LEU A 31 4.671 8.296 2.932 1.00 0.00 C ATOM 447 O LEU A 31 5.409 8.283 1.949 1.00 0.00 O ATOM 448 CB LEU A 31 2.592 9.598 2.420 1.00 0.00 C ATOM 449 CG LEU A 31 1.237 9.476 1.701 1.00 0.00 C ATOM 450 CD1 LEU A 31 0.234 10.590 1.997 1.00 0.00 C ATOM 451 CD2 LEU A 31 1.463 9.403 0.192 1.00 0.00 C ATOM 0 H LEU A 31 2.075 8.388 4.478 1.00 0.00 H new ATOM 0 HA LEU A 31 2.978 7.525 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.470 10.158 3.347 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.292 10.158 1.799 1.00 0.00 H new ATOM 0 HG LEU A 31 0.790 8.563 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.686 10.409 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.015 10.608 3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.656 11.549 1.697 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.502 9.317 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.971 10.307 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.077 8.533 -0.042 1.00 0.00 H new ATOM 463 N THR A 32 5.130 8.421 4.178 1.00 0.00 N ATOM 464 CA THR A 32 6.538 8.618 4.488 1.00 0.00 C ATOM 465 C THR A 32 7.340 7.390 4.003 1.00 0.00 C ATOM 466 O THR A 32 6.846 6.257 4.086 1.00 0.00 O ATOM 467 CB THR A 32 6.655 8.918 5.995 1.00 0.00 C ATOM 468 OG1 THR A 32 7.965 9.266 6.391 1.00 0.00 O ATOM 469 CG2 THR A 32 6.240 7.752 6.889 1.00 0.00 C ATOM 0 H THR A 32 4.529 8.388 5.001 1.00 0.00 H new ATOM 0 HA THR A 32 6.970 9.471 3.965 1.00 0.00 H new ATOM 0 HB THR A 32 5.972 9.757 6.127 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.978 9.447 7.354 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.349 8.039 7.935 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.200 7.494 6.690 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.874 6.890 6.681 1.00 0.00 H new ATOM 477 N PRO A 33 8.584 7.574 3.516 1.00 0.00 N ATOM 478 CA PRO A 33 9.324 6.521 2.829 1.00 0.00 C ATOM 479 C PRO A 33 9.673 5.314 3.707 1.00 0.00 C ATOM 480 O PRO A 33 10.082 4.286 3.167 1.00 0.00 O ATOM 481 CB PRO A 33 10.561 7.188 2.223 1.00 0.00 C ATOM 482 CG PRO A 33 10.720 8.498 2.985 1.00 0.00 C ATOM 483 CD PRO A 33 9.291 8.840 3.389 1.00 0.00 C ATOM 0 HA PRO A 33 8.694 6.080 2.057 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.443 6.558 2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.430 7.366 1.156 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.368 8.382 3.854 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.160 9.276 2.361 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.275 9.390 4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.818 9.475 2.641 1.00 0.00 H new ATOM 491 N GLU A 34 9.467 5.385 5.025 1.00 0.00 N ATOM 492 CA GLU A 34 9.654 4.266 5.943 1.00 0.00 C ATOM 493 C GLU A 34 8.825 3.063 5.512 1.00 0.00 C ATOM 494 O GLU A 34 9.301 1.936 5.643 1.00 0.00 O ATOM 495 CB GLU A 34 9.267 4.646 7.389 1.00 0.00 C ATOM 496 CG GLU A 34 10.258 5.500 8.197 1.00 0.00 C ATOM 497 CD GLU A 34 11.694 4.981 8.363 1.00 0.00 C ATOM 498 OE1 GLU A 34 12.107 4.006 7.692 1.00 0.00 O ATOM 499 OE2 GLU A 34 12.475 5.656 9.083 1.00 0.00 O ATOM 0 H GLU A 34 9.160 6.240 5.489 1.00 0.00 H new ATOM 0 HA GLU A 34 10.713 4.010 5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.318 5.180 7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.092 3.723 7.942 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.311 6.482 7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 34 9.839 5.644 9.193 1.00 0.00 H new ATOM 506 N TYR A 35 7.621 3.298 4.984 1.00 0.00 N ATOM 507 CA TYR A 35 6.658 2.250 4.662 1.00 0.00 C ATOM 508 C TYR A 35 6.597 2.004 3.151 1.00 0.00 C ATOM 509 O TYR A 35 6.009 1.017 2.723 1.00 0.00 O ATOM 510 CB TYR A 35 5.274 2.641 5.205 1.00 0.00 C ATOM 511 CG TYR A 35 5.220 2.998 6.676 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.639 4.269 7.099 1.00 0.00 C ATOM 513 CD2 TYR A 35 4.725 2.082 7.622 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.636 4.609 8.457 1.00 0.00 C ATOM 515 CE2 TYR A 35 4.605 2.458 8.969 1.00 0.00 C ATOM 516 CZ TYR A 35 5.069 3.723 9.394 1.00 0.00 C ATOM 517 OH TYR A 35 5.011 4.089 10.702 1.00 0.00 O ATOM 0 H TYR A 35 7.286 4.237 4.766 1.00 0.00 H new ATOM 0 HA TYR A 35 6.979 1.321 5.134 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.906 3.491 4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.587 1.814 5.026 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.968 4.993 6.368 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.437 1.088 7.312 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.066 5.544 8.784 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.158 1.780 9.681 1.00 0.00 H new ATOM 0 HH TYR A 35 4.592 3.373 11.224 1.00 0.00 H new ATOM 527 N ASN A 36 7.207 2.875 2.336 1.00 0.00 N ATOM 528 CA ASN A 36 7.208 2.827 0.872 1.00 0.00 C ATOM 529 C ASN A 36 7.858 1.529 0.393 1.00 0.00 C ATOM 530 O ASN A 36 9.064 1.327 0.558 1.00 0.00 O ATOM 531 CB ASN A 36 7.952 4.059 0.336 1.00 0.00 C ATOM 532 CG ASN A 36 8.023 4.171 -1.186 1.00 0.00 C ATOM 533 OD1 ASN A 36 7.917 3.198 -1.924 1.00 0.00 O ATOM 534 ND2 ASN A 36 8.249 5.379 -1.676 1.00 0.00 N ATOM 0 H ASN A 36 7.737 3.668 2.698 1.00 0.00 H new ATOM 0 HA ASN A 36 6.186 2.843 0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 36 7.467 4.954 0.727 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.968 4.049 0.730 1.00 0.00 H new ATOM 0 HD21 ASN A 36 8.338 5.512 -2.683 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.334 6.177 -1.046 1.00 0.00 H new ATOM 541 N ILE A 37 7.065 0.631 -0.185 1.00 0.00 N ATOM 542 CA ILE A 37 7.508 -0.637 -0.736 1.00 0.00 C ATOM 543 C ILE A 37 7.914 -0.390 -2.184 1.00 0.00 C ATOM 544 O ILE A 37 7.118 -0.534 -3.115 1.00 0.00 O ATOM 545 CB ILE A 37 6.434 -1.738 -0.570 1.00 0.00 C ATOM 546 CG1 ILE A 37 6.151 -1.980 0.925 1.00 0.00 C ATOM 547 CG2 ILE A 37 6.926 -3.041 -1.212 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.897 -2.807 1.147 1.00 0.00 C ATOM 0 H ILE A 37 6.060 0.776 -0.284 1.00 0.00 H new ATOM 0 HA ILE A 37 8.371 -1.018 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 37 5.517 -1.412 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.003 -2.488 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.046 -1.021 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.167 -3.814 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.113 -2.876 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.848 -3.360 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.740 -2.950 2.216 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.039 -2.288 0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.011 -3.777 0.664 1.00 0.00 H new ATOM 560 N LYS A 38 9.189 -0.070 -2.401 1.00 0.00 N ATOM 561 CA LYS A 38 9.761 -0.148 -3.745 1.00 0.00 C ATOM 562 C LYS A 38 9.977 -1.602 -4.152 1.00 0.00 C ATOM 563 O LYS A 38 9.899 -1.892 -5.347 1.00 0.00 O ATOM 564 CB LYS A 38 11.044 0.685 -3.861 1.00 0.00 C ATOM 565 CG LYS A 38 10.687 2.183 -3.845 1.00 0.00 C ATOM 566 CD LYS A 38 11.921 3.087 -3.888 1.00 0.00 C ATOM 567 CE LYS A 38 12.512 3.218 -2.484 1.00 0.00 C ATOM 568 NZ LYS A 38 13.557 4.252 -2.412 1.00 0.00 N ATOM 0 H LYS A 38 9.837 0.241 -1.677 1.00 0.00 H new ATOM 0 HA LYS A 38 9.048 0.286 -4.446 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.717 0.452 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.570 0.435 -4.782 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.047 2.408 -4.698 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.111 2.405 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.664 2.672 -4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 38 11.650 4.070 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.717 3.459 -1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 38 12.931 2.259 -2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 13.928 4.304 -1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.330 4.011 -3.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 13.153 5.173 -2.678 1.00 0.00 H new ATOM 582 N GLN A 39 10.209 -2.521 -3.206 1.00 0.00 N ATOM 583 CA GLN A 39 10.280 -3.954 -3.490 1.00 0.00 C ATOM 584 C GLN A 39 8.864 -4.530 -3.519 1.00 0.00 C ATOM 585 O GLN A 39 8.453 -5.256 -2.609 1.00 0.00 O ATOM 586 CB GLN A 39 11.204 -4.689 -2.500 1.00 0.00 C ATOM 587 CG GLN A 39 12.681 -4.269 -2.611 1.00 0.00 C ATOM 588 CD GLN A 39 13.131 -3.416 -1.429 1.00 0.00 C ATOM 589 OE1 GLN A 39 13.765 -3.908 -0.498 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.842 -2.125 -1.434 1.00 0.00 N ATOM 0 H GLN A 39 10.352 -2.289 -2.223 1.00 0.00 H new ATOM 0 HA GLN A 39 10.730 -4.105 -4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.857 -4.502 -1.484 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.126 -5.763 -2.671 1.00 0.00 H new ATOM 0 HG2 GLN A 39 13.306 -5.160 -2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.829 -3.712 -3.536 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.316 -1.723 -2.210 1.00 0.00 H new ATOM 0 HE22 GLN A 39 13.146 -1.531 -0.662 1.00 0.00 H new ATOM 599 N TRP A 40 8.092 -4.148 -4.541 1.00 0.00 N ATOM 600 CA TRP A 40 6.837 -4.804 -4.846 1.00 0.00 C ATOM 601 C TRP A 40 7.152 -6.193 -5.379 1.00 0.00 C ATOM 602 O TRP A 40 6.720 -7.158 -4.760 1.00 0.00 O ATOM 603 CB TRP A 40 5.940 -3.968 -5.779 1.00 0.00 C ATOM 604 CG TRP A 40 6.508 -3.349 -7.021 1.00 0.00 C ATOM 605 CD1 TRP A 40 7.165 -2.169 -7.058 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.337 -3.749 -8.422 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.460 -1.844 -8.364 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.970 -2.772 -9.246 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.659 -4.792 -9.093 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.964 -2.828 -10.647 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.628 -4.845 -10.504 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.289 -3.879 -11.281 1.00 0.00 C ATOM 0 H TRP A 40 8.326 -3.380 -5.170 1.00 0.00 H new ATOM 0 HA TRP A 40 6.240 -4.904 -3.940 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.111 -4.606 -6.087 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.516 -3.161 -5.181 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.420 -1.572 -6.195 1.00 0.00 H new ATOM 0 HE1 TRP A 40 7.981 -1.012 -8.642 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.158 -5.558 -8.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.472 -2.073 -11.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.087 -5.641 -10.994 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.277 -3.946 -12.359 1.00 0.00 H new ATOM 623 N GLN A 41 7.944 -6.282 -6.457 1.00 0.00 N ATOM 624 CA GLN A 41 8.029 -7.435 -7.355 1.00 0.00 C ATOM 625 C GLN A 41 8.105 -8.792 -6.653 1.00 0.00 C ATOM 626 O GLN A 41 7.364 -9.688 -7.040 1.00 0.00 O ATOM 627 CB GLN A 41 9.225 -7.261 -8.313 1.00 0.00 C ATOM 628 CG GLN A 41 8.852 -6.618 -9.653 1.00 0.00 C ATOM 629 CD GLN A 41 8.136 -7.616 -10.560 1.00 0.00 C ATOM 630 OE1 GLN A 41 8.768 -8.387 -11.275 1.00 0.00 O ATOM 631 NE2 GLN A 41 6.819 -7.630 -10.573 1.00 0.00 N ATOM 0 H GLN A 41 8.565 -5.522 -6.735 1.00 0.00 H new ATOM 0 HA GLN A 41 7.090 -7.451 -7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.984 -6.649 -7.825 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.674 -8.236 -8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.210 -5.754 -9.479 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.752 -6.253 -10.148 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.296 -6.988 -9.977 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.322 -8.283 -11.179 1.00 0.00 H new ATOM 640 N GLN A 42 8.965 -8.965 -5.644 1.00 0.00 N ATOM 641 CA GLN A 42 9.120 -10.254 -4.971 1.00 0.00 C ATOM 642 C GLN A 42 7.859 -10.736 -4.247 1.00 0.00 C ATOM 643 O GLN A 42 7.734 -11.930 -3.960 1.00 0.00 O ATOM 644 CB GLN A 42 10.248 -10.161 -3.943 1.00 0.00 C ATOM 645 CG GLN A 42 11.639 -10.250 -4.569 1.00 0.00 C ATOM 646 CD GLN A 42 12.673 -10.614 -3.509 1.00 0.00 C ATOM 647 OE1 GLN A 42 12.647 -10.110 -2.387 1.00 0.00 O ATOM 648 NE2 GLN A 42 13.580 -11.526 -3.806 1.00 0.00 N ATOM 0 H GLN A 42 9.564 -8.226 -5.277 1.00 0.00 H new ATOM 0 HA GLN A 42 9.340 -10.975 -5.758 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.160 -9.220 -3.400 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.133 -10.962 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.642 -10.998 -5.362 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.900 -9.297 -5.029 1.00 0.00 H new ATOM 0 HE21 GLN A 42 13.599 -11.942 -4.737 1.00 0.00 H new ATOM 0 HE22 GLN A 42 14.262 -11.815 -3.104 1.00 0.00 H new ATOM 657 N ARG A 43 6.935 -9.843 -3.904 1.00 0.00 N ATOM 658 CA ARG A 43 5.658 -10.201 -3.303 1.00 0.00 C ATOM 659 C ARG A 43 4.757 -10.781 -4.404 1.00 0.00 C ATOM 660 O ARG A 43 5.230 -11.150 -5.480 1.00 0.00 O ATOM 661 CB ARG A 43 5.096 -8.970 -2.571 1.00 0.00 C ATOM 662 CG ARG A 43 6.071 -8.463 -1.486 1.00 0.00 C ATOM 663 CD ARG A 43 5.480 -7.291 -0.689 1.00 0.00 C ATOM 664 NE ARG A 43 6.010 -7.212 0.683 1.00 0.00 N ATOM 665 CZ ARG A 43 7.005 -6.448 1.147 1.00 0.00 C ATOM 666 NH1 ARG A 43 7.805 -5.764 0.329 1.00 0.00 N ATOM 667 NH2 ARG A 43 7.179 -6.375 2.461 1.00 0.00 N ATOM 0 H ARG A 43 7.055 -8.839 -4.038 1.00 0.00 H new ATOM 0 HA ARG A 43 5.745 -10.978 -2.543 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.904 -8.174 -3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.140 -9.223 -2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.314 -9.279 -0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.004 -8.150 -1.954 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.693 -6.358 -1.211 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.396 -7.394 -0.650 1.00 0.00 H new ATOM 0 HE ARG A 43 5.560 -7.819 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.666 -5.815 -0.680 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.556 -5.190 0.712 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.562 -6.893 3.087 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.929 -5.801 2.845 1.00 0.00 H new ATOM 681 N ASN A 44 3.454 -10.900 -4.154 1.00 0.00 N ATOM 682 CA ASN A 44 2.507 -11.374 -5.170 1.00 0.00 C ATOM 683 C ASN A 44 1.685 -10.223 -5.747 1.00 0.00 C ATOM 684 O ASN A 44 0.804 -10.451 -6.576 1.00 0.00 O ATOM 685 CB ASN A 44 1.634 -12.507 -4.613 1.00 0.00 C ATOM 686 CG ASN A 44 2.472 -13.738 -4.302 1.00 0.00 C ATOM 687 OD1 ASN A 44 3.141 -14.277 -5.182 1.00 0.00 O ATOM 688 ND2 ASN A 44 2.506 -14.157 -3.051 1.00 0.00 N ATOM 0 H ASN A 44 3.026 -10.675 -3.256 1.00 0.00 H new ATOM 0 HA ASN A 44 3.074 -11.790 -6.003 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.127 -12.170 -3.709 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.859 -12.763 -5.336 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.098 -14.947 -2.794 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.940 -13.691 -2.342 1.00 0.00 H new ATOM 695 N LEU A 45 1.942 -8.977 -5.329 1.00 0.00 N ATOM 696 CA LEU A 45 1.196 -7.829 -5.801 1.00 0.00 C ATOM 697 C LEU A 45 1.406 -7.577 -7.306 1.00 0.00 C ATOM 698 O LEU A 45 2.462 -7.893 -7.863 1.00 0.00 O ATOM 699 CB LEU A 45 1.620 -6.572 -5.020 1.00 0.00 C ATOM 700 CG LEU A 45 1.174 -6.454 -3.548 1.00 0.00 C ATOM 701 CD1 LEU A 45 -0.267 -6.890 -3.302 1.00 0.00 C ATOM 702 CD2 LEU A 45 2.124 -7.141 -2.562 1.00 0.00 C ATOM 0 H LEU A 45 2.673 -8.748 -4.656 1.00 0.00 H new ATOM 0 HA LEU A 45 0.140 -8.043 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.708 -6.513 -5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.241 -5.702 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 45 1.221 -5.383 -3.351 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.506 -6.778 -2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.941 -6.270 -3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.386 -7.934 -3.592 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.747 -7.017 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.188 -8.203 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.114 -6.692 -2.638 1.00 0.00 H new ATOM 714 N PRO A 46 0.445 -6.901 -7.951 1.00 0.00 N ATOM 715 CA PRO A 46 0.618 -6.238 -9.243 1.00 0.00 C ATOM 716 C PRO A 46 1.548 -5.010 -9.117 1.00 0.00 C ATOM 717 O PRO A 46 1.883 -4.550 -8.017 1.00 0.00 O ATOM 718 CB PRO A 46 -0.796 -5.794 -9.661 1.00 0.00 C ATOM 719 CG PRO A 46 -1.459 -5.601 -8.317 1.00 0.00 C ATOM 720 CD PRO A 46 -0.874 -6.645 -7.413 1.00 0.00 C ATOM 0 HA PRO A 46 1.077 -6.902 -9.975 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.781 -4.875 -10.247 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.302 -6.548 -10.264 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.271 -4.600 -7.929 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.540 -5.714 -8.396 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.820 -6.292 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.482 -7.550 -7.408 1.00 0.00 H new ATOM 728 N ALA A 47 1.917 -4.434 -10.263 1.00 0.00 N ATOM 729 CA ALA A 47 2.670 -3.185 -10.373 1.00 0.00 C ATOM 730 C ALA A 47 1.936 -1.998 -9.731 1.00 0.00 C ATOM 731 O ALA A 47 0.712 -2.039 -9.591 1.00 0.00 O ATOM 732 CB ALA A 47 2.916 -2.896 -11.859 1.00 0.00 C ATOM 0 H ALA A 47 1.691 -4.839 -11.171 1.00 0.00 H new ATOM 0 HA ALA A 47 3.610 -3.306 -9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.477 -1.967 -11.961 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.486 -3.714 -12.299 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.960 -2.801 -12.374 1.00 0.00 H new ATOM 738 N PRO A 48 2.645 -0.919 -9.359 1.00 0.00 N ATOM 739 CA PRO A 48 2.012 0.342 -8.992 1.00 0.00 C ATOM 740 C PRO A 48 1.411 1.038 -10.227 1.00 0.00 C ATOM 741 O PRO A 48 1.843 0.797 -11.362 1.00 0.00 O ATOM 742 CB PRO A 48 3.133 1.165 -8.340 1.00 0.00 C ATOM 743 CG PRO A 48 4.414 0.639 -8.980 1.00 0.00 C ATOM 744 CD PRO A 48 4.096 -0.828 -9.252 1.00 0.00 C ATOM 0 HA PRO A 48 1.173 0.209 -8.309 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.004 2.231 -8.528 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.146 1.032 -7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.654 1.175 -9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.270 0.748 -8.314 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.576 -1.166 -10.171 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.467 -1.462 -8.447 1.00 0.00 H new ATOM 752 N ASP A 49 0.451 1.947 -10.015 1.00 0.00 N ATOM 753 CA ASP A 49 0.046 2.928 -11.026 1.00 0.00 C ATOM 754 C ASP A 49 1.270 3.789 -11.311 1.00 0.00 C ATOM 755 O ASP A 49 2.085 4.052 -10.421 1.00 0.00 O ATOM 756 CB ASP A 49 -1.077 3.891 -10.584 1.00 0.00 C ATOM 757 CG ASP A 49 -2.512 3.373 -10.565 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.752 2.150 -10.693 1.00 0.00 O ATOM 759 OD2 ASP A 49 -3.419 4.228 -10.460 1.00 0.00 O ATOM 0 H ASP A 49 -0.065 2.022 -9.139 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.335 2.366 -11.879 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.837 4.242 -9.580 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.047 4.760 -11.241 1.00 0.00 H new ATOM 764 N ALA A 50 1.372 4.275 -12.539 1.00 0.00 N ATOM 765 CA ALA A 50 2.386 5.225 -12.938 1.00 0.00 C ATOM 766 C ALA A 50 2.245 6.529 -12.140 1.00 0.00 C ATOM 767 O ALA A 50 1.387 7.348 -12.473 1.00 0.00 O ATOM 768 CB ALA A 50 2.213 5.461 -14.432 1.00 0.00 C ATOM 0 H ALA A 50 0.739 4.013 -13.295 1.00 0.00 H new ATOM 0 HA ALA A 50 3.386 4.842 -12.733 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.961 6.175 -14.777 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.337 4.519 -14.966 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.217 5.859 -14.625 1.00 0.00 H new ATOM 774 N GLY A 51 3.082 6.724 -11.119 1.00 0.00 N ATOM 775 CA GLY A 51 3.028 7.869 -10.217 1.00 0.00 C ATOM 776 C GLY A 51 2.673 7.492 -8.779 1.00 0.00 C ATOM 777 O GLY A 51 2.375 8.392 -7.988 1.00 0.00 O ATOM 0 H GLY A 51 3.834 6.072 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.994 8.374 -10.225 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.293 8.582 -10.590 1.00 0.00 H new ATOM 781 N SER A 52 2.708 6.207 -8.416 1.00 0.00 N ATOM 782 CA SER A 52 2.343 5.711 -7.094 1.00 0.00 C ATOM 783 C SER A 52 3.398 4.744 -6.560 1.00 0.00 C ATOM 784 O SER A 52 4.354 4.407 -7.264 1.00 0.00 O ATOM 785 CB SER A 52 0.954 5.065 -7.184 1.00 0.00 C ATOM 786 OG SER A 52 0.972 3.932 -8.009 1.00 0.00 O ATOM 0 H SER A 52 2.999 5.466 -9.054 1.00 0.00 H new ATOM 0 HA SER A 52 2.302 6.536 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.615 4.786 -6.186 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.238 5.789 -7.573 1.00 0.00 H new ATOM 0 HG SER A 52 1.611 4.069 -8.739 1.00 0.00 H new ATOM 792 N HIS A 53 3.219 4.283 -5.324 1.00 0.00 N ATOM 793 CA HIS A 53 3.966 3.182 -4.751 1.00 0.00 C ATOM 794 C HIS A 53 3.113 2.430 -3.736 1.00 0.00 C ATOM 795 O HIS A 53 2.169 2.975 -3.161 1.00 0.00 O ATOM 796 CB HIS A 53 5.246 3.677 -4.083 1.00 0.00 C ATOM 797 CG HIS A 53 5.079 4.835 -3.121 1.00 0.00 C ATOM 798 ND1 HIS A 53 5.262 6.170 -3.415 1.00 0.00 N ATOM 799 CD2 HIS A 53 4.790 4.751 -1.784 1.00 0.00 C ATOM 800 CE1 HIS A 53 5.086 6.869 -2.285 1.00 0.00 C ATOM 801 NE2 HIS A 53 4.833 6.046 -1.254 1.00 0.00 N ATOM 0 H HIS A 53 2.532 4.679 -4.683 1.00 0.00 H new ATOM 0 HA HIS A 53 4.237 2.505 -5.562 1.00 0.00 H new ATOM 0 HB2 HIS A 53 5.699 2.844 -3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.949 3.974 -4.861 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.491 6.557 -4.331 1.00 0.00 H new ATOM 0 HD2 HIS A 53 4.569 3.847 -1.237 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.140 7.945 -2.213 1.00 0.00 H new ATOM 809 N TRP A 54 3.429 1.155 -3.532 1.00 0.00 N ATOM 810 CA TRP A 54 2.824 0.349 -2.489 1.00 0.00 C ATOM 811 C TRP A 54 3.363 0.780 -1.118 1.00 0.00 C ATOM 812 O TRP A 54 4.474 1.302 -1.022 1.00 0.00 O ATOM 813 CB TRP A 54 3.087 -1.131 -2.793 1.00 0.00 C ATOM 814 CG TRP A 54 2.322 -1.661 -3.972 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.772 -1.782 -5.245 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.936 -2.109 -3.999 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.770 -2.313 -6.038 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.588 -2.424 -5.342 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.074 -2.238 -3.026 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.723 -2.740 -5.720 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.391 -2.580 -3.376 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.722 -2.792 -4.725 1.00 0.00 C ATOM 0 H TRP A 54 4.118 0.653 -4.092 1.00 0.00 H new ATOM 0 HA TRP A 54 1.744 0.497 -2.461 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.153 -1.270 -2.973 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.833 -1.722 -1.913 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.759 -1.507 -5.587 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.892 -2.587 -7.013 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.169 -2.070 -1.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.965 -2.940 -6.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.146 -2.680 -2.611 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.746 -2.996 -5.002 1.00 0.00 H new ATOM 833 N THR A 55 2.614 0.528 -0.047 1.00 0.00 N ATOM 834 CA THR A 55 3.054 0.711 1.330 1.00 0.00 C ATOM 835 C THR A 55 2.363 -0.359 2.178 1.00 0.00 C ATOM 836 O THR A 55 1.438 -1.045 1.720 1.00 0.00 O ATOM 837 CB THR A 55 2.788 2.160 1.813 1.00 0.00 C ATOM 838 OG1 THR A 55 2.918 2.339 3.202 1.00 0.00 O ATOM 839 CG2 THR A 55 1.358 2.640 1.549 1.00 0.00 C ATOM 0 H THR A 55 1.657 0.181 -0.117 1.00 0.00 H new ATOM 0 HA THR A 55 4.133 0.583 1.422 1.00 0.00 H new ATOM 0 HB THR A 55 3.539 2.713 1.249 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.882 3.295 3.413 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.244 3.661 1.913 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.157 2.612 0.478 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.654 1.989 2.068 1.00 0.00 H new ATOM 847 N TYR A 56 2.830 -0.507 3.414 1.00 0.00 N ATOM 848 CA TYR A 56 2.377 -1.474 4.391 1.00 0.00 C ATOM 849 C TYR A 56 1.577 -0.733 5.468 1.00 0.00 C ATOM 850 O TYR A 56 2.155 0.000 6.270 1.00 0.00 O ATOM 851 CB TYR A 56 3.594 -2.223 4.968 1.00 0.00 C ATOM 852 CG TYR A 56 3.379 -3.684 5.315 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.094 -4.196 5.575 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.496 -4.537 5.381 1.00 0.00 C ATOM 855 CE1 TYR A 56 1.923 -5.545 5.934 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.337 -5.889 5.742 1.00 0.00 C ATOM 857 CZ TYR A 56 3.048 -6.395 6.038 1.00 0.00 C ATOM 858 OH TYR A 56 2.896 -7.695 6.419 1.00 0.00 O ATOM 0 H TYR A 56 3.579 0.083 3.775 1.00 0.00 H new ATOM 0 HA TYR A 56 1.725 -2.222 3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.409 -2.159 4.247 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.922 -1.702 5.868 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.233 -3.548 5.498 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.480 -4.153 5.154 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.934 -5.931 6.130 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.198 -6.539 5.793 1.00 0.00 H new ATOM 0 HH TYR A 56 3.771 -8.135 6.437 1.00 0.00 H new ATOM 868 N MET A 57 0.254 -0.880 5.457 1.00 0.00 N ATOM 869 CA MET A 57 -0.685 -0.336 6.441 1.00 0.00 C ATOM 870 C MET A 57 -0.729 -1.250 7.675 1.00 0.00 C ATOM 871 O MET A 57 0.221 -1.990 7.948 1.00 0.00 O ATOM 872 CB MET A 57 -2.076 -0.195 5.790 1.00 0.00 C ATOM 873 CG MET A 57 -2.091 0.785 4.640 1.00 0.00 C ATOM 874 SD MET A 57 -1.817 2.528 5.051 1.00 0.00 S ATOM 875 CE MET A 57 -3.495 2.975 5.565 1.00 0.00 C ATOM 0 H MET A 57 -0.219 -1.409 4.724 1.00 0.00 H new ATOM 0 HA MET A 57 -0.358 0.651 6.769 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.405 -1.171 5.433 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.794 0.127 6.545 1.00 0.00 H new ATOM 0 HG2 MET A 57 -1.328 0.480 3.924 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.053 0.702 4.135 1.00 0.00 H new ATOM 0 HE1 MET A 57 -3.770 3.930 5.118 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.193 2.205 5.236 1.00 0.00 H new ATOM 0 HE3 MET A 57 -3.533 3.059 6.651 1.00 0.00 H new ATOM 885 N GLY A 58 -1.850 -1.214 8.405 1.00 0.00 N ATOM 886 CA GLY A 58 -2.233 -2.016 9.555 1.00 0.00 C ATOM 887 C GLY A 58 -2.493 -3.461 9.170 1.00 0.00 C ATOM 888 O GLY A 58 -3.589 -3.976 9.369 1.00 0.00 O ATOM 0 H GLY A 58 -2.585 -0.547 8.172 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.444 -1.976 10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.129 -1.594 10.011 1.00 0.00 H new ATOM 892 N GLY A 59 -1.476 -4.092 8.602 1.00 0.00 N ATOM 893 CA GLY A 59 -1.445 -5.489 8.249 1.00 0.00 C ATOM 894 C GLY A 59 -1.731 -5.762 6.782 1.00 0.00 C ATOM 895 O GLY A 59 -1.745 -6.927 6.398 1.00 0.00 O ATOM 0 H GLY A 59 -0.608 -3.611 8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.465 -5.895 8.499 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.176 -6.023 8.857 1.00 0.00 H new ATOM 899 N ASN A 60 -1.914 -4.731 5.954 1.00 0.00 N ATOM 900 CA ASN A 60 -2.383 -4.852 4.582 1.00 0.00 C ATOM 901 C ASN A 60 -1.464 -4.050 3.676 1.00 0.00 C ATOM 902 O ASN A 60 -0.814 -3.109 4.136 1.00 0.00 O ATOM 903 CB ASN A 60 -3.797 -4.278 4.502 1.00 0.00 C ATOM 904 CG ASN A 60 -4.716 -4.865 5.561 1.00 0.00 C ATOM 905 OD1 ASN A 60 -5.014 -6.052 5.540 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.097 -4.069 6.550 1.00 0.00 N ATOM 0 H ASN A 60 -1.734 -3.766 6.232 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.385 -5.897 4.270 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.755 -3.195 4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.212 -4.475 3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.653 -4.442 7.320 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.834 -3.083 6.542 1.00 0.00 H new ATOM 913 N TYR A 61 -1.445 -4.365 2.387 1.00 0.00 N ATOM 914 CA TYR A 61 -0.653 -3.669 1.390 1.00 0.00 C ATOM 915 C TYR A 61 -1.567 -2.751 0.596 1.00 0.00 C ATOM 916 O TYR A 61 -2.552 -3.210 0.018 1.00 0.00 O ATOM 917 CB TYR A 61 0.000 -4.680 0.450 1.00 0.00 C ATOM 918 CG TYR A 61 1.046 -5.527 1.132 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.267 -4.943 1.500 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.795 -6.877 1.422 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.268 -5.722 2.098 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.790 -7.661 2.033 1.00 0.00 C ATOM 923 CZ TYR A 61 3.044 -7.088 2.351 1.00 0.00 C ATOM 924 OH TYR A 61 4.080 -7.830 2.825 1.00 0.00 O ATOM 0 H TYR A 61 -1.995 -5.132 2.000 1.00 0.00 H new ATOM 0 HA TYR A 61 0.127 -3.086 1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.769 -5.329 0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.458 -4.149 -0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.437 -3.891 1.322 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.162 -7.314 1.176 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.213 -5.273 2.365 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.597 -8.699 2.259 1.00 0.00 H new ATOM 0 HH TYR A 61 4.112 -8.687 2.351 1.00 0.00 H new ATOM 934 N VAL A 62 -1.246 -1.464 0.512 1.00 0.00 N ATOM 935 CA VAL A 62 -2.072 -0.505 -0.218 1.00 0.00 C ATOM 936 C VAL A 62 -1.211 0.254 -1.200 1.00 0.00 C ATOM 937 O VAL A 62 -0.011 0.410 -0.981 1.00 0.00 O ATOM 938 CB VAL A 62 -2.836 0.419 0.743 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.637 -0.436 1.725 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.909 1.365 1.507 1.00 0.00 C ATOM 0 H VAL A 62 -0.415 -1.058 0.943 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.834 -1.039 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.503 1.043 0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.182 0.212 2.411 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.343 -1.058 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.957 -1.073 2.291 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.500 1.995 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.199 0.783 2.095 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.366 1.992 0.800 1.00 0.00 H new ATOM 950 N LEU A 63 -1.820 0.688 -2.294 1.00 0.00 N ATOM 951 CA LEU A 63 -1.165 1.454 -3.340 1.00 0.00 C ATOM 952 C LEU A 63 -1.582 2.909 -3.187 1.00 0.00 C ATOM 953 O LEU A 63 -2.784 3.175 -3.107 1.00 0.00 O ATOM 954 CB LEU A 63 -1.565 0.862 -4.696 1.00 0.00 C ATOM 955 CG LEU A 63 -0.928 1.577 -5.894 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.598 1.453 -5.861 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.502 1.011 -7.198 1.00 0.00 C ATOM 0 H LEU A 63 -2.807 0.512 -2.482 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.078 1.407 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.283 -0.190 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.650 0.903 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.168 2.639 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.024 1.969 -6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.980 1.902 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.878 0.400 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.047 1.521 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.286 -0.056 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.581 1.165 -7.218 1.00 0.00 H new ATOM 969 N ILE A 64 -0.610 3.823 -3.136 1.00 0.00 N ATOM 970 CA ILE A 64 -0.798 5.244 -2.857 1.00 0.00 C ATOM 971 C ILE A 64 -0.053 6.095 -3.884 1.00 0.00 C ATOM 972 O ILE A 64 1.111 5.850 -4.191 1.00 0.00 O ATOM 973 CB ILE A 64 -0.347 5.584 -1.421 1.00 0.00 C ATOM 974 CG1 ILE A 64 1.080 5.095 -1.101 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.366 5.009 -0.423 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.734 5.861 0.042 1.00 0.00 C ATOM 0 H ILE A 64 0.368 3.581 -3.295 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.861 5.473 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.312 6.670 -1.333 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.046 4.036 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.698 5.189 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.053 5.246 0.594 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.347 5.446 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.422 3.927 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.736 5.468 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.799 6.918 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.136 5.746 0.946 1.00 0.00 H new ATOM 988 N THR A 65 -0.720 7.095 -4.447 1.00 0.00 N ATOM 989 CA THR A 65 -0.107 8.075 -5.334 1.00 0.00 C ATOM 990 C THR A 65 1.010 8.808 -4.578 1.00 0.00 C ATOM 991 O THR A 65 0.787 9.309 -3.482 1.00 0.00 O ATOM 992 CB THR A 65 -1.183 9.050 -5.869 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.454 8.868 -5.265 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.392 8.873 -7.368 1.00 0.00 C ATOM 0 H THR A 65 -1.717 7.250 -4.298 1.00 0.00 H new ATOM 0 HA THR A 65 0.337 7.578 -6.197 1.00 0.00 H new ATOM 0 HB THR A 65 -0.800 10.042 -5.628 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.147 9.262 -5.835 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.154 9.572 -7.714 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.456 9.068 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.716 7.853 -7.572 1.00 0.00 H new ATOM 1002 N ASP A 66 2.180 8.985 -5.190 1.00 0.00 N ATOM 1003 CA ASP A 66 3.277 9.804 -4.653 1.00 0.00 C ATOM 1004 C ASP A 66 2.871 11.287 -4.547 1.00 0.00 C ATOM 1005 O ASP A 66 3.592 12.110 -3.983 1.00 0.00 O ATOM 1006 CB ASP A 66 4.513 9.669 -5.569 1.00 0.00 C ATOM 1007 CG ASP A 66 5.780 9.199 -4.857 1.00 0.00 C ATOM 1008 OD1 ASP A 66 6.321 9.951 -4.002 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.276 8.106 -5.203 1.00 0.00 O ATOM 0 H ASP A 66 2.401 8.557 -6.089 1.00 0.00 H new ATOM 0 HA ASP A 66 3.513 9.446 -3.651 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.281 8.968 -6.371 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.710 10.634 -6.036 1.00 0.00 H new ATOM 1014 N THR A 67 1.711 11.648 -5.096 1.00 0.00 N ATOM 1015 CA THR A 67 1.320 12.982 -5.508 1.00 0.00 C ATOM 1016 C THR A 67 -0.109 13.277 -5.008 1.00 0.00 C ATOM 1017 O THR A 67 -0.745 14.234 -5.452 1.00 0.00 O ATOM 1018 CB THR A 67 1.559 13.045 -7.033 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.421 14.350 -7.542 1.00 0.00 O ATOM 1020 CG2 THR A 67 0.726 12.050 -7.851 1.00 0.00 C ATOM 0 H THR A 67 0.975 10.964 -5.273 1.00 0.00 H new ATOM 0 HA THR A 67 1.907 13.787 -5.065 1.00 0.00 H new ATOM 0 HB THR A 67 2.597 12.735 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.688 14.806 -7.079 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.958 12.165 -8.910 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.961 11.033 -7.536 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.334 12.244 -7.689 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.643 12.431 -4.111 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.972 12.557 -3.511 1.00 0.00 C ATOM 1030 C GLU A 68 -2.178 11.535 -2.386 1.00 0.00 C ATOM 1031 O GLU A 68 -2.909 11.792 -1.432 1.00 0.00 O ATOM 1032 CB GLU A 68 -3.035 12.330 -4.602 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.465 12.590 -4.147 1.00 0.00 C ATOM 1034 CD GLU A 68 -5.292 13.111 -5.326 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -5.883 12.307 -6.082 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.241 14.337 -5.594 1.00 0.00 O ATOM 0 H GLU A 68 -0.138 11.611 -3.775 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.065 13.556 -3.084 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.812 12.978 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.960 11.302 -4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.906 11.672 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.473 13.317 -3.335 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.568 10.354 -2.501 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.866 9.173 -1.715 1.00 0.00 C ATOM 1045 C GLY A 69 -3.350 8.854 -1.662 1.00 0.00 C ATOM 1046 O GLY A 69 -3.841 8.399 -0.623 1.00 0.00 O ATOM 0 H GLY A 69 -0.821 10.196 -3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.331 8.320 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.494 9.315 -0.700 1.00 0.00 H new ATOM 1050 N LYS A 70 -4.059 9.058 -2.781 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.340 8.397 -2.971 1.00 0.00 C ATOM 1052 C LYS A 70 -5.064 6.907 -2.896 1.00 0.00 C ATOM 1053 O LYS A 70 -4.013 6.442 -3.326 1.00 0.00 O ATOM 1054 CB LYS A 70 -6.010 8.752 -4.312 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.300 9.576 -4.138 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.405 9.172 -5.125 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.977 9.166 -6.593 1.00 0.00 C ATOM 1058 NZ LYS A 70 -7.635 10.515 -7.070 1.00 0.00 N ATOM 0 H LYS A 70 -3.768 9.664 -3.548 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.039 8.728 -2.203 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.306 9.314 -4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.242 7.833 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.668 9.455 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.070 10.633 -4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.764 8.177 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.246 9.856 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.117 8.508 -6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.782 8.758 -7.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.192 10.449 -8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.499 11.090 -7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.972 10.961 -6.404 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.011 6.169 -2.355 1.00 0.00 N ATOM 1073 CA ILE A 71 -5.964 4.740 -2.175 1.00 0.00 C ATOM 1074 C ILE A 71 -6.365 4.172 -3.525 1.00 0.00 C ATOM 1075 O ILE A 71 -7.558 4.037 -3.815 1.00 0.00 O ATOM 1076 CB ILE A 71 -6.889 4.375 -0.993 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.305 5.056 0.266 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.004 2.853 -0.786 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.164 4.931 1.516 1.00 0.00 C ATOM 0 H ILE A 71 -6.881 6.577 -2.011 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.992 4.326 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.901 4.724 -1.199 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.324 4.627 0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.152 6.114 0.052 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.665 2.649 0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.411 2.393 -1.686 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.017 2.438 -0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.674 5.439 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.137 5.387 1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.297 3.878 1.762 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.371 3.920 -4.381 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.580 3.313 -5.674 1.00 0.00 C ATOM 1093 C LEU A 72 -6.180 1.925 -5.477 1.00 0.00 C ATOM 1094 O LEU A 72 -7.263 1.667 -5.996 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.282 3.299 -6.493 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.674 4.675 -6.842 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -4.683 5.779 -7.191 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -2.647 5.163 -5.848 1.00 0.00 C ATOM 0 H LEU A 72 -4.394 4.138 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.287 3.904 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.536 2.726 -5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.471 2.763 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.149 4.461 -7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.149 6.701 -7.419 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.269 5.475 -8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.348 5.945 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.268 6.135 -6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.108 5.255 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.823 4.451 -5.797 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.504 1.049 -4.720 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.904 -0.344 -4.462 1.00 0.00 C ATOM 1112 C LYS A 73 -5.510 -0.758 -3.041 1.00 0.00 C ATOM 1113 O LYS A 73 -4.633 -0.126 -2.448 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.224 -1.269 -5.487 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.866 -1.201 -6.889 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.849 -1.423 -8.016 1.00 0.00 C ATOM 1117 CE LYS A 73 -5.052 -2.603 -8.980 1.00 0.00 C ATOM 1118 NZ LYS A 73 -5.731 -3.784 -8.409 1.00 0.00 N ATOM 0 H LYS A 73 -4.632 1.299 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.987 -0.428 -4.558 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.170 -1.002 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.267 -2.296 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.652 -1.952 -6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.341 -0.229 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.815 -0.512 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.868 -1.539 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.628 -2.254 -9.837 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.077 -2.913 -9.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.419 -4.640 -8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.492 -3.868 -7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.760 -3.677 -8.513 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.096 -1.847 -2.534 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.805 -2.466 -1.236 1.00 0.00 C ATOM 1134 C VAL A 74 -5.763 -3.980 -1.453 1.00 0.00 C ATOM 1135 O VAL A 74 -6.648 -4.526 -2.116 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.903 -2.106 -0.202 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.663 -2.728 1.191 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -7.081 -0.590 -0.034 1.00 0.00 C ATOM 0 H VAL A 74 -6.824 -2.347 -3.044 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.854 -2.103 -0.847 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.813 -2.535 -0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.469 -2.435 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.639 -3.814 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.712 -2.374 1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.862 -0.395 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.144 -0.149 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.364 -0.149 -0.990 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.781 -4.659 -0.871 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.748 -6.110 -0.754 1.00 0.00 C ATOM 1150 C TYR A 75 -4.411 -6.468 0.690 1.00 0.00 C ATOM 1151 O TYR A 75 -3.618 -5.776 1.331 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.729 -6.685 -1.747 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.235 -6.671 -3.179 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -4.977 -7.758 -3.677 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -4.028 -5.542 -3.993 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.519 -7.723 -4.972 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.589 -5.490 -5.282 1.00 0.00 C ATOM 1158 CZ TYR A 75 -5.343 -6.576 -5.772 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.937 -6.480 -6.992 1.00 0.00 O ATOM 0 H TYR A 75 -3.967 -4.204 -0.458 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.717 -6.545 -1.000 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.805 -6.110 -1.687 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.487 -7.709 -1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.131 -8.628 -3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.438 -4.715 -3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.068 -8.571 -5.353 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.442 -4.615 -5.898 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.775 -6.989 -6.989 1.00 0.00 H new ATOM 1169 N ASP A 76 -5.016 -7.532 1.213 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.718 -8.032 2.554 1.00 0.00 C ATOM 1171 C ASP A 76 -3.255 -8.493 2.592 1.00 0.00 C ATOM 1172 O ASP A 76 -2.754 -9.000 1.588 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.685 -9.178 2.877 1.00 0.00 C ATOM 1174 CG ASP A 76 -5.657 -9.585 4.351 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.552 -9.755 4.912 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -6.745 -9.814 4.920 1.00 0.00 O ATOM 0 H ASP A 76 -5.727 -8.072 0.720 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.849 -7.254 3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.698 -8.878 2.608 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.434 -10.042 2.262 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.555 -8.344 3.721 1.00 0.00 N ATOM 1182 CA GLY A 77 -1.199 -8.845 3.924 1.00 0.00 C ATOM 1183 C GLY A 77 -1.088 -10.351 3.714 1.00 0.00 C ATOM 1184 O GLY A 77 0.002 -10.836 3.409 1.00 0.00 O ATOM 0 H GLY A 77 -2.928 -7.859 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.522 -8.336 3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.873 -8.599 4.935 1.00 0.00 H new ATOM 1188 N GLU A 78 -2.203 -11.082 3.806 1.00 0.00 N ATOM 1189 CA GLU A 78 -2.295 -12.494 3.460 1.00 0.00 C ATOM 1190 C GLU A 78 -1.700 -12.798 2.079 1.00 0.00 C ATOM 1191 O GLU A 78 -1.139 -13.881 1.890 1.00 0.00 O ATOM 1192 CB GLU A 78 -3.760 -12.946 3.506 1.00 0.00 C ATOM 1193 CG GLU A 78 -4.339 -13.025 4.926 1.00 0.00 C ATOM 1194 CD GLU A 78 -5.035 -14.364 5.149 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -4.323 -15.341 5.472 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -6.271 -14.446 4.963 1.00 0.00 O ATOM 0 H GLU A 78 -3.087 -10.693 4.133 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.710 -13.047 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.362 -12.255 2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.844 -13.925 3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.541 -12.898 5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.047 -12.211 5.082 1.00 0.00 H new ATOM 1203 N ILE A 79 -1.764 -11.849 1.137 1.00 0.00 N ATOM 1204 CA ILE A 79 -1.236 -11.984 -0.214 1.00 0.00 C ATOM 1205 C ILE A 79 0.268 -12.288 -0.231 1.00 0.00 C ATOM 1206 O ILE A 79 0.760 -12.883 -1.191 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.583 -10.700 -1.004 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.435 -10.932 -2.514 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.725 -9.486 -0.589 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.266 -9.976 -3.367 1.00 0.00 C ATOM 0 H ILE A 79 -2.199 -10.942 1.305 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.703 -12.844 -0.695 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.621 -10.470 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.385 -10.829 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.725 -11.957 -2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.016 -8.616 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.880 -9.275 0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.328 -9.708 -0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.110 -10.201 -4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.322 -10.095 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.960 -8.949 -3.166 1.00 0.00 H new ATOM 1222 N PHE A 80 1.011 -11.900 0.812 1.00 0.00 N ATOM 1223 CA PHE A 80 2.438 -12.179 0.912 1.00 0.00 C ATOM 1224 C PHE A 80 2.693 -13.685 0.925 1.00 0.00 C ATOM 1225 O PHE A 80 3.682 -14.144 0.357 1.00 0.00 O ATOM 1226 CB PHE A 80 2.997 -11.535 2.186 1.00 0.00 C ATOM 1227 CG PHE A 80 4.509 -11.557 2.273 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.269 -10.548 1.651 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.162 -12.587 2.972 1.00 0.00 C ATOM 1230 CE1 PHE A 80 6.672 -10.548 1.760 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.562 -12.594 3.069 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.316 -11.565 2.482 1.00 0.00 C ATOM 0 H PHE A 80 0.635 -11.384 1.607 1.00 0.00 H new ATOM 0 HA PHE A 80 2.943 -11.757 0.043 1.00 0.00 H new ATOM 0 HB2 PHE A 80 2.655 -10.501 2.239 1.00 0.00 H new ATOM 0 HB3 PHE A 80 2.586 -12.052 3.053 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.773 -9.771 1.088 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.585 -13.374 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.252 -9.768 1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.061 -13.393 3.597 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.391 -11.556 2.586 1.00 0.00 H new ATOM 1242 N TYR A 81 1.793 -14.447 1.546 1.00 0.00 N ATOM 1243 CA TYR A 81 1.978 -15.866 1.805 1.00 0.00 C ATOM 1244 C TYR A 81 1.506 -16.755 0.646 1.00 0.00 C ATOM 1245 O TYR A 81 1.512 -17.979 0.777 1.00 0.00 O ATOM 1246 CB TYR A 81 1.280 -16.222 3.130 1.00 0.00 C ATOM 1247 CG TYR A 81 1.711 -15.348 4.295 1.00 0.00 C ATOM 1248 CD1 TYR A 81 3.056 -15.344 4.704 1.00 0.00 C ATOM 1249 CD2 TYR A 81 0.786 -14.495 4.926 1.00 0.00 C ATOM 1250 CE1 TYR A 81 3.482 -14.470 5.717 1.00 0.00 C ATOM 1251 CE2 TYR A 81 1.203 -13.620 5.947 1.00 0.00 C ATOM 1252 CZ TYR A 81 2.558 -13.608 6.345 1.00 0.00 C ATOM 1253 OH TYR A 81 3.007 -12.743 7.297 1.00 0.00 O ATOM 0 H TYR A 81 0.902 -14.085 1.887 1.00 0.00 H new ATOM 0 HA TYR A 81 3.046 -16.065 1.892 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.202 -16.133 2.999 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.487 -17.264 3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.763 -16.014 4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -0.251 -14.512 4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 81 4.520 -14.457 6.016 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.491 -12.962 6.423 1.00 0.00 H new ATOM 0 HH TYR A 81 2.256 -12.214 7.638 1.00 0.00 H new ATOM 1263 N HIS A 82 1.039 -16.162 -0.458 1.00 0.00 N ATOM 1264 CA HIS A 82 0.627 -16.896 -1.649 1.00 0.00 C ATOM 1265 C HIS A 82 1.850 -17.200 -2.533 1.00 0.00 C ATOM 1266 O HIS A 82 2.993 -16.912 -2.158 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.462 -16.103 -2.387 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.368 -16.973 -3.231 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -2.292 -17.870 -2.748 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.429 -17.022 -4.600 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -2.861 -18.479 -3.799 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.351 -18.020 -4.953 1.00 0.00 N ATOM 0 H HIS A 82 0.937 -15.151 -0.546 1.00 0.00 H new ATOM 0 HA HIS A 82 0.196 -17.858 -1.370 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -1.065 -15.562 -1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.011 -15.357 -3.025 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.868 -16.403 -5.285 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.627 -19.237 -3.727 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.586 -18.333 -5.895 1.00 0.00 H new ATOM 1280 N ARG A 83 1.621 -17.772 -3.714 1.00 0.00 N ATOM 1281 CA ARG A 83 2.614 -18.280 -4.651 1.00 0.00 C ATOM 1282 C ARG A 83 2.183 -17.946 -6.063 1.00 0.00 C ATOM 1283 O ARG A 83 2.978 -18.171 -6.998 1.00 0.00 O ATOM 1284 CB ARG A 83 2.746 -19.800 -4.489 1.00 0.00 C ATOM 1285 CG ARG A 83 1.418 -20.552 -4.676 1.00 0.00 C ATOM 1286 CD ARG A 83 1.628 -22.063 -4.751 1.00 0.00 C ATOM 1287 NE ARG A 83 2.059 -22.477 -6.098 1.00 0.00 N ATOM 1288 CZ ARG A 83 1.270 -22.990 -7.050 1.00 0.00 C ATOM 1289 NH1 ARG A 83 -0.056 -22.993 -6.932 1.00 0.00 N ATOM 1290 NH2 ARG A 83 1.799 -23.496 -8.152 1.00 0.00 N ATOM 0 H ARG A 83 0.671 -17.900 -4.062 1.00 0.00 H new ATOM 0 HA ARG A 83 3.580 -17.818 -4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.471 -20.173 -5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.143 -20.019 -3.498 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.748 -20.319 -3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.930 -20.207 -5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.376 -22.365 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.702 -22.575 -4.490 1.00 0.00 H new ATOM 0 HE ARG A 83 3.047 -22.362 -6.325 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.495 -22.598 -6.100 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.633 -23.391 -7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.811 -23.496 -8.278 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.195 -23.886 -8.875 1.00 0.00 H new TER 1304 ARG A 83