USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 741 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 51 MET CE :methyl -178:sc= -1 (180deg=-1.01) USER MOD Set 1.2: B 51 SER OG : rot 72:sc= 0.305 USER MOD Set 2.1: A 36 MET CE :methyl -156:sc= 0 (180deg=-0.523) USER MOD Set 2.2: A 41 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.3!) USER MOD Single : A 1 ALA N :NH3+ -170:sc= -0.197 (180deg=-0.451) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.232 USER MOD Single : A 8 GLN :FLIP amide:sc= 1.25 F(o=-1.7,f=1.2) USER MOD Single : A 13 LYS NZ :NH3+ -161:sc= 0.184 (180deg=0.0215) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -149:sc= 0.634 (180deg=0.185) USER MOD Single : A 26 THR OG1 : rot 42:sc= -0.809! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 93:sc= 0.834 USER MOD Single : A 38 SER OG : rot -15:sc= -0.0432 USER MOD Single : A 42 ASN : amide:sc= -0.0337 X(o=-0.034,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.46 USER MOD Single : A 49 GLN : amide:sc= -0.511 K(o=-0.51,f=-3.3!) USER MOD Single : A 53 ASN : amide:sc= -2.74! C(o=-2.7!,f=-4.5!) USER MOD Single : A 60 ASN : amide:sc= -0.0639 K(o=-0.064,f=-2.2!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 73:sc= 0.539 USER MOD Single : A 71 MET CE :methyl -162:sc= -0.0969 (180deg=-0.762) USER MOD Single : A 72 MET CE :methyl -153:sc= 0 (180deg=-0.169) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 165:sc=-0.00145 (180deg=-0.298) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : B 53 GLN : amide:sc= -0.544 X(o=-0.54,f=-0.56) USER MOD Single : B 61 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.77) USER MOD Single : B 63 LYS NZ :NH3+ -160:sc= -0.0584 (180deg=-0.484) USER MOD Single : B 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 67 SER OG : rot 180:sc= 0.00598 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.347 -23.654 -2.309 1.00 0.00 N ATOM 2 CA ALA A 1 -3.913 -23.792 -2.697 1.00 0.00 C ATOM 3 C ALA A 1 -3.766 -23.432 -4.167 1.00 0.00 C ATOM 4 O ALA A 1 -2.667 -23.181 -4.659 1.00 0.00 O ATOM 5 CB ALA A 1 -3.466 -25.239 -2.481 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.436 -23.731 -1.276 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.703 -22.727 -2.619 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.903 -24.407 -2.762 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.298 -23.129 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.418 -25.342 -2.764 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.586 -25.504 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.075 -25.903 -3.095 1.00 0.00 H new ATOM 13 N ASP A 2 -4.898 -23.421 -4.857 1.00 0.00 N ATOM 14 CA ASP A 2 -4.931 -23.110 -6.278 1.00 0.00 C ATOM 15 C ASP A 2 -4.984 -21.600 -6.511 1.00 0.00 C ATOM 16 O ASP A 2 -5.261 -21.144 -7.621 1.00 0.00 O ATOM 17 CB ASP A 2 -6.155 -23.777 -6.897 1.00 0.00 C ATOM 18 CG ASP A 2 -6.084 -23.712 -8.415 1.00 0.00 C ATOM 19 OD1 ASP A 2 -5.005 -23.462 -8.929 1.00 0.00 O ATOM 20 OD2 ASP A 2 -7.109 -23.918 -9.045 1.00 0.00 O ATOM 0 H ASP A 2 -5.811 -23.626 -4.452 1.00 0.00 H new ATOM 0 HA ASP A 2 -4.021 -23.486 -6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -6.213 -24.816 -6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.062 -23.283 -6.548 1.00 0.00 H new ATOM 25 N GLN A 3 -4.712 -20.830 -5.458 1.00 0.00 N ATOM 26 CA GLN A 3 -4.723 -19.365 -5.545 1.00 0.00 C ATOM 27 C GLN A 3 -3.532 -18.775 -4.791 1.00 0.00 C ATOM 28 O GLN A 3 -2.711 -19.508 -4.240 1.00 0.00 O ATOM 29 CB GLN A 3 -6.033 -18.822 -4.964 1.00 0.00 C ATOM 30 CG GLN A 3 -6.223 -19.355 -3.543 1.00 0.00 C ATOM 31 CD GLN A 3 -7.529 -18.827 -2.958 1.00 0.00 C ATOM 32 OE1 GLN A 3 -8.238 -18.059 -3.611 1.00 0.00 O ATOM 33 NE2 GLN A 3 -7.896 -19.199 -1.761 1.00 0.00 N ATOM 0 H GLN A 3 -4.481 -21.194 -4.533 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.647 -19.075 -6.593 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -6.015 -17.732 -4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.873 -19.122 -5.591 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.234 -20.445 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.385 -19.050 -2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -7.308 -19.835 -1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -8.771 -18.854 -1.365 1.00 0.00 H new ATOM 42 N LEU A 4 -3.445 -17.445 -4.772 1.00 0.00 N ATOM 43 CA LEU A 4 -2.354 -16.757 -4.083 1.00 0.00 C ATOM 44 C LEU A 4 -1.029 -17.504 -4.227 1.00 0.00 C ATOM 45 O LEU A 4 -0.600 -18.221 -3.324 1.00 0.00 O ATOM 46 CB LEU A 4 -2.687 -16.621 -2.605 1.00 0.00 C ATOM 47 CG LEU A 4 -1.688 -15.658 -1.930 1.00 0.00 C ATOM 48 CD1 LEU A 4 -2.223 -14.231 -1.998 1.00 0.00 C ATOM 49 CD2 LEU A 4 -1.502 -16.065 -0.478 1.00 0.00 C ATOM 0 H LEU A 4 -4.115 -16.824 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.244 -15.774 -4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.704 -16.247 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.647 -17.598 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.730 -15.706 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.515 -13.554 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -2.355 -13.941 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.182 -14.177 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.797 -15.387 0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.461 -16.018 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.115 -17.083 -0.432 1.00 0.00 H new ATOM 61 N THR A 5 -0.414 -17.338 -5.377 1.00 0.00 N ATOM 62 CA THR A 5 0.858 -18.009 -5.687 1.00 0.00 C ATOM 63 C THR A 5 2.010 -17.298 -4.996 1.00 0.00 C ATOM 64 O THR A 5 1.792 -16.416 -4.169 1.00 0.00 O ATOM 65 CB THR A 5 1.110 -18.045 -7.210 1.00 0.00 C ATOM 66 OG1 THR A 5 2.192 -18.930 -7.485 1.00 0.00 O ATOM 67 CG2 THR A 5 1.467 -16.649 -7.719 1.00 0.00 C ATOM 0 H THR A 5 -0.766 -16.743 -6.127 1.00 0.00 H new ATOM 0 HA THR A 5 0.794 -19.034 -5.322 1.00 0.00 H new ATOM 0 HB THR A 5 0.205 -18.389 -7.712 1.00 0.00 H new ATOM 0 HG1 THR A 5 2.355 -18.958 -8.451 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.642 -16.688 -8.794 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.645 -15.964 -7.510 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.368 -16.298 -7.217 1.00 0.00 H new ATOM 75 N GLU A 6 3.237 -17.693 -5.330 1.00 0.00 N ATOM 76 CA GLU A 6 4.409 -17.080 -4.719 1.00 0.00 C ATOM 77 C GLU A 6 4.463 -15.589 -5.040 1.00 0.00 C ATOM 78 O GLU A 6 4.712 -14.760 -4.170 1.00 0.00 O ATOM 79 CB GLU A 6 5.679 -17.778 -5.217 1.00 0.00 C ATOM 80 CG GLU A 6 6.904 -17.212 -4.493 1.00 0.00 C ATOM 81 CD GLU A 6 8.168 -17.926 -4.967 1.00 0.00 C ATOM 82 OE1 GLU A 6 8.041 -18.974 -5.579 1.00 0.00 O ATOM 83 OE2 GLU A 6 9.246 -17.415 -4.709 1.00 0.00 O ATOM 0 H GLU A 6 3.442 -18.424 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 6 4.341 -17.194 -3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.607 -18.851 -5.042 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.784 -17.636 -6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.987 -16.142 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.789 -17.335 -3.416 1.00 0.00 H new ATOM 90 N GLU A 7 4.227 -15.253 -6.296 1.00 0.00 N ATOM 91 CA GLU A 7 4.246 -13.864 -6.714 1.00 0.00 C ATOM 92 C GLU A 7 3.470 -12.996 -5.724 1.00 0.00 C ATOM 93 O GLU A 7 4.023 -12.073 -5.129 1.00 0.00 O ATOM 94 CB GLU A 7 3.619 -13.762 -8.110 1.00 0.00 C ATOM 95 CG GLU A 7 3.464 -12.302 -8.515 1.00 0.00 C ATOM 96 CD GLU A 7 2.986 -12.200 -9.961 1.00 0.00 C ATOM 97 OE1 GLU A 7 2.593 -13.216 -10.511 1.00 0.00 O ATOM 98 OE2 GLU A 7 3.020 -11.103 -10.499 1.00 0.00 O ATOM 0 H GLU A 7 4.021 -15.920 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 7 5.275 -13.506 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.244 -14.283 -8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.646 -14.253 -8.116 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.752 -11.808 -7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.416 -11.783 -8.402 1.00 0.00 H new ATOM 105 N GLN A 8 2.180 -13.269 -5.591 1.00 0.00 N ATOM 106 CA GLN A 8 1.314 -12.478 -4.721 1.00 0.00 C ATOM 107 C GLN A 8 1.929 -12.241 -3.338 1.00 0.00 C ATOM 108 O GLN A 8 2.089 -11.099 -2.912 1.00 0.00 O ATOM 109 CB GLN A 8 -0.047 -13.204 -4.575 1.00 0.00 C ATOM 110 CG GLN A 8 -1.203 -12.326 -5.084 1.00 0.00 C ATOM 111 CD GLN A 8 -1.352 -11.089 -4.199 1.00 0.00 C ATOM 112 OE1 GLN A 8 -1.228 -11.200 -2.905 1.00 0.00 O flip ATOM 113 NE2 GLN A 8 -1.588 -9.991 -4.706 1.00 0.00 N flip ATOM 0 H GLN A 8 1.707 -14.033 -6.074 1.00 0.00 H new ATOM 0 HA GLN A 8 1.181 -11.498 -5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.025 -14.140 -5.133 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.215 -13.461 -3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.015 -12.025 -6.115 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.131 -12.897 -5.083 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -1.685 -9.907 -5.718 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.687 -9.166 -4.114 1.00 0.00 H new ATOM 122 N ILE A 9 2.234 -13.310 -2.623 1.00 0.00 N ATOM 123 CA ILE A 9 2.788 -13.158 -1.285 1.00 0.00 C ATOM 124 C ILE A 9 4.059 -12.320 -1.321 1.00 0.00 C ATOM 125 O ILE A 9 4.191 -11.354 -0.570 1.00 0.00 O ATOM 126 CB ILE A 9 3.069 -14.530 -0.652 1.00 0.00 C ATOM 127 CG1 ILE A 9 3.791 -15.434 -1.658 1.00 0.00 C ATOM 128 CG2 ILE A 9 1.750 -15.193 -0.247 1.00 0.00 C ATOM 129 CD1 ILE A 9 3.983 -16.840 -1.094 1.00 0.00 C ATOM 0 H ILE A 9 2.112 -14.273 -2.935 1.00 0.00 H new ATOM 0 HA ILE A 9 2.051 -12.641 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 9 3.697 -14.388 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.217 -15.485 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.761 -15.003 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.954 -16.165 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.232 -14.562 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.123 -15.324 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.498 -17.460 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.578 -16.788 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.010 -17.277 -0.868 1.00 0.00 H new ATOM 141 N ALA A 10 4.984 -12.681 -2.193 1.00 0.00 N ATOM 142 CA ALA A 10 6.227 -11.941 -2.305 1.00 0.00 C ATOM 143 C ALA A 10 5.934 -10.482 -2.648 1.00 0.00 C ATOM 144 O ALA A 10 6.595 -9.569 -2.160 1.00 0.00 O ATOM 145 CB ALA A 10 7.099 -12.565 -3.396 1.00 0.00 C ATOM 0 H ALA A 10 4.899 -13.475 -2.828 1.00 0.00 H new ATOM 0 HA ALA A 10 6.756 -11.982 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.032 -12.008 -3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.317 -13.602 -3.139 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.570 -12.531 -4.349 1.00 0.00 H new ATOM 151 N GLU A 11 4.932 -10.283 -3.497 1.00 0.00 N ATOM 152 CA GLU A 11 4.541 -8.945 -3.927 1.00 0.00 C ATOM 153 C GLU A 11 4.076 -8.101 -2.742 1.00 0.00 C ATOM 154 O GLU A 11 4.470 -6.943 -2.607 1.00 0.00 O ATOM 155 CB GLU A 11 3.410 -9.046 -4.959 1.00 0.00 C ATOM 156 CG GLU A 11 3.101 -7.665 -5.530 1.00 0.00 C ATOM 157 CD GLU A 11 2.020 -7.776 -6.599 1.00 0.00 C ATOM 158 OE1 GLU A 11 1.788 -8.878 -7.069 1.00 0.00 O ATOM 159 OE2 GLU A 11 1.444 -6.755 -6.942 1.00 0.00 O ATOM 0 H GLU A 11 4.374 -11.034 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 11 5.410 -8.462 -4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.698 -9.725 -5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.518 -9.464 -4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.770 -6.998 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.004 -7.228 -5.957 1.00 0.00 H new ATOM 166 N PHE A 12 3.240 -8.679 -1.888 1.00 0.00 N ATOM 167 CA PHE A 12 2.743 -7.959 -0.724 1.00 0.00 C ATOM 168 C PHE A 12 3.892 -7.626 0.234 1.00 0.00 C ATOM 169 O PHE A 12 3.969 -6.515 0.750 1.00 0.00 O ATOM 170 CB PHE A 12 1.632 -8.804 -0.039 1.00 0.00 C ATOM 171 CG PHE A 12 1.975 -9.109 1.405 1.00 0.00 C ATOM 172 CD1 PHE A 12 1.889 -8.102 2.369 1.00 0.00 C ATOM 173 CD2 PHE A 12 2.388 -10.392 1.770 1.00 0.00 C ATOM 174 CE1 PHE A 12 2.215 -8.379 3.697 1.00 0.00 C ATOM 175 CE2 PHE A 12 2.714 -10.672 3.096 1.00 0.00 C ATOM 176 CZ PHE A 12 2.630 -9.667 4.062 1.00 0.00 C ATOM 0 H PHE A 12 2.895 -9.635 -1.978 1.00 0.00 H new ATOM 0 HA PHE A 12 2.307 -7.009 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.685 -8.266 -0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.494 -9.737 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.570 -7.109 2.087 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.455 -11.169 1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.148 -7.601 4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.031 -11.666 3.376 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.885 -9.882 5.089 1.00 0.00 H new ATOM 186 N LYS A 13 4.767 -8.600 0.472 1.00 0.00 N ATOM 187 CA LYS A 13 5.886 -8.406 1.375 1.00 0.00 C ATOM 188 C LYS A 13 6.735 -7.231 0.921 1.00 0.00 C ATOM 189 O LYS A 13 7.139 -6.397 1.730 1.00 0.00 O ATOM 190 CB LYS A 13 6.738 -9.678 1.420 1.00 0.00 C ATOM 191 CG LYS A 13 7.916 -9.504 2.388 1.00 0.00 C ATOM 192 CD LYS A 13 7.386 -9.215 3.800 1.00 0.00 C ATOM 193 CE LYS A 13 8.420 -9.604 4.846 1.00 0.00 C ATOM 194 NZ LYS A 13 8.106 -8.901 6.120 1.00 0.00 N ATOM 0 H LYS A 13 4.719 -9.528 0.051 1.00 0.00 H new ATOM 0 HA LYS A 13 5.501 -8.193 2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.124 -10.523 1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.111 -9.908 0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.529 -10.405 2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.556 -8.687 2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.144 -8.156 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.463 -9.769 3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.413 -10.683 4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.420 -9.337 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.949 -8.892 6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.817 -7.923 5.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.332 -9.396 6.608 1.00 0.00 H new ATOM 208 N GLU A 14 7.003 -7.172 -0.376 1.00 0.00 N ATOM 209 CA GLU A 14 7.806 -6.090 -0.921 1.00 0.00 C ATOM 210 C GLU A 14 7.106 -4.751 -0.708 1.00 0.00 C ATOM 211 O GLU A 14 7.666 -3.841 -0.101 1.00 0.00 O ATOM 212 CB GLU A 14 8.016 -6.307 -2.419 1.00 0.00 C ATOM 213 CG GLU A 14 8.950 -7.501 -2.667 1.00 0.00 C ATOM 214 CD GLU A 14 10.358 -7.194 -2.171 1.00 0.00 C ATOM 215 OE1 GLU A 14 10.675 -6.025 -2.021 1.00 0.00 O ATOM 216 OE2 GLU A 14 11.108 -8.136 -1.964 1.00 0.00 O ATOM 0 H GLU A 14 6.680 -7.853 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 14 8.768 -6.080 -0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.056 -6.482 -2.905 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.440 -5.408 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.564 -8.384 -2.157 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.976 -7.734 -3.732 1.00 0.00 H new ATOM 223 N ALA A 15 5.877 -4.640 -1.203 1.00 0.00 N ATOM 224 CA ALA A 15 5.118 -3.402 -1.062 1.00 0.00 C ATOM 225 C ALA A 15 5.044 -2.991 0.406 1.00 0.00 C ATOM 226 O ALA A 15 5.300 -1.835 0.751 1.00 0.00 O ATOM 227 CB ALA A 15 3.707 -3.592 -1.638 1.00 0.00 C ATOM 0 H ALA A 15 5.389 -5.385 -1.701 1.00 0.00 H new ATOM 0 HA ALA A 15 5.622 -2.609 -1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.143 -2.666 -1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.777 -3.854 -2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.198 -4.391 -1.099 1.00 0.00 H new ATOM 233 N PHE A 16 4.712 -3.944 1.266 1.00 0.00 N ATOM 234 CA PHE A 16 4.621 -3.664 2.694 1.00 0.00 C ATOM 235 C PHE A 16 5.936 -3.079 3.218 1.00 0.00 C ATOM 236 O PHE A 16 5.942 -2.041 3.879 1.00 0.00 O ATOM 237 CB PHE A 16 4.271 -4.976 3.435 1.00 0.00 C ATOM 238 CG PHE A 16 4.931 -5.026 4.795 1.00 0.00 C ATOM 239 CD1 PHE A 16 6.225 -5.544 4.893 1.00 0.00 C ATOM 240 CD2 PHE A 16 4.272 -4.555 5.933 1.00 0.00 C ATOM 241 CE1 PHE A 16 6.869 -5.588 6.127 1.00 0.00 C ATOM 242 CE2 PHE A 16 4.917 -4.601 7.175 1.00 0.00 C ATOM 243 CZ PHE A 16 6.216 -5.117 7.265 1.00 0.00 C ATOM 0 H PHE A 16 4.503 -4.908 1.005 1.00 0.00 H new ATOM 0 HA PHE A 16 3.840 -2.924 2.872 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.190 -5.056 3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 16 4.593 -5.830 2.840 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.727 -5.911 4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.271 -4.158 5.855 1.00 0.00 H new ATOM 0 HE1 PHE A 16 7.870 -5.985 6.202 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.415 -4.240 8.060 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.715 -5.150 8.222 1.00 0.00 H new ATOM 253 N SER A 17 7.032 -3.759 2.934 1.00 0.00 N ATOM 254 CA SER A 17 8.340 -3.316 3.398 1.00 0.00 C ATOM 255 C SER A 17 8.646 -1.903 2.915 1.00 0.00 C ATOM 256 O SER A 17 9.273 -1.119 3.628 1.00 0.00 O ATOM 257 CB SER A 17 9.422 -4.277 2.895 1.00 0.00 C ATOM 258 OG SER A 17 10.599 -4.103 3.671 1.00 0.00 O ATOM 0 H SER A 17 7.046 -4.619 2.386 1.00 0.00 H new ATOM 0 HA SER A 17 8.330 -3.311 4.488 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.073 -5.307 2.968 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.634 -4.086 1.843 1.00 0.00 H new ATOM 0 HG SER A 17 11.294 -4.717 3.354 1.00 0.00 H new ATOM 264 N LEU A 18 8.210 -1.585 1.703 1.00 0.00 N ATOM 265 CA LEU A 18 8.460 -0.255 1.145 1.00 0.00 C ATOM 266 C LEU A 18 7.748 0.828 1.946 1.00 0.00 C ATOM 267 O LEU A 18 8.310 1.896 2.198 1.00 0.00 O ATOM 268 CB LEU A 18 7.995 -0.195 -0.315 1.00 0.00 C ATOM 269 CG LEU A 18 8.907 -1.060 -1.201 1.00 0.00 C ATOM 270 CD1 LEU A 18 8.324 -1.125 -2.620 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.334 -0.471 -1.252 1.00 0.00 C ATOM 0 H LEU A 18 7.690 -2.215 1.093 1.00 0.00 H new ATOM 0 HA LEU A 18 9.534 -0.074 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.965 -0.544 -0.391 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.008 0.837 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 18 8.961 -2.063 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.968 -1.738 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.327 -1.565 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.262 -0.119 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.964 -1.097 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.297 0.538 -1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.750 -0.437 -0.245 1.00 0.00 H new ATOM 283 N PHE A 19 6.502 0.564 2.322 1.00 0.00 N ATOM 284 CA PHE A 19 5.723 1.543 3.071 1.00 0.00 C ATOM 285 C PHE A 19 6.251 1.723 4.492 1.00 0.00 C ATOM 286 O PHE A 19 6.490 2.843 4.928 1.00 0.00 O ATOM 287 CB PHE A 19 4.264 1.111 3.122 1.00 0.00 C ATOM 288 CG PHE A 19 3.685 1.105 1.725 1.00 0.00 C ATOM 289 CD1 PHE A 19 3.578 2.296 0.996 1.00 0.00 C ATOM 290 CD2 PHE A 19 3.258 -0.099 1.154 1.00 0.00 C ATOM 291 CE1 PHE A 19 3.046 2.278 -0.298 1.00 0.00 C ATOM 292 CE2 PHE A 19 2.730 -0.118 -0.133 1.00 0.00 C ATOM 293 CZ PHE A 19 2.621 1.070 -0.863 1.00 0.00 C ATOM 0 H PHE A 19 6.014 -0.309 2.123 1.00 0.00 H new ATOM 0 HA PHE A 19 5.812 2.500 2.556 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.184 0.118 3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.696 1.789 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.906 3.228 1.432 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.339 -1.018 1.715 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.963 3.196 -0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.404 -1.051 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.209 1.055 -1.861 1.00 0.00 H new ATOM 303 N ASP A 20 6.421 0.624 5.219 1.00 0.00 N ATOM 304 CA ASP A 20 6.915 0.707 6.591 1.00 0.00 C ATOM 305 C ASP A 20 8.309 1.332 6.622 1.00 0.00 C ATOM 306 O ASP A 20 9.311 0.629 6.770 1.00 0.00 O ATOM 307 CB ASP A 20 6.962 -0.693 7.208 1.00 0.00 C ATOM 308 CG ASP A 20 7.122 -0.593 8.721 1.00 0.00 C ATOM 309 OD1 ASP A 20 7.694 0.386 9.171 1.00 0.00 O ATOM 310 OD2 ASP A 20 6.673 -1.499 9.407 1.00 0.00 O ATOM 0 H ASP A 20 6.228 -0.322 4.889 1.00 0.00 H new ATOM 0 HA ASP A 20 6.238 1.337 7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.049 -1.236 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.791 -1.259 6.783 1.00 0.00 H new ATOM 315 N LYS A 21 8.373 2.657 6.467 1.00 0.00 N ATOM 316 CA LYS A 21 9.666 3.343 6.463 1.00 0.00 C ATOM 317 C LYS A 21 10.387 3.120 7.786 1.00 0.00 C ATOM 318 O LYS A 21 11.544 2.695 7.806 1.00 0.00 O ATOM 319 CB LYS A 21 9.475 4.852 6.235 1.00 0.00 C ATOM 320 CG LYS A 21 8.395 5.117 5.176 1.00 0.00 C ATOM 321 CD LYS A 21 8.660 4.320 3.888 1.00 0.00 C ATOM 322 CE LYS A 21 10.010 4.729 3.285 1.00 0.00 C ATOM 323 NZ LYS A 21 10.086 4.251 1.877 1.00 0.00 N ATOM 0 H LYS A 21 7.563 3.265 6.345 1.00 0.00 H new ATOM 0 HA LYS A 21 10.266 2.932 5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.195 5.332 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.418 5.297 5.917 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.418 4.848 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.363 6.182 4.946 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.658 3.252 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.862 4.500 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.123 5.813 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.826 4.304 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.075 4.037 1.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.510 3.392 1.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.726 4.990 1.240 1.00 0.00 H new ATOM 337 N ASP A 22 9.709 3.407 8.890 1.00 0.00 N ATOM 338 CA ASP A 22 10.311 3.233 10.203 1.00 0.00 C ATOM 339 C ASP A 22 10.626 1.761 10.438 1.00 0.00 C ATOM 340 O ASP A 22 11.429 1.415 11.305 1.00 0.00 O ATOM 341 CB ASP A 22 9.346 3.736 11.276 1.00 0.00 C ATOM 342 CG ASP A 22 7.995 3.046 11.114 1.00 0.00 C ATOM 343 OD1 ASP A 22 7.726 2.573 10.020 1.00 0.00 O ATOM 344 OD2 ASP A 22 7.251 2.999 12.082 1.00 0.00 O ATOM 0 H ASP A 22 8.751 3.758 8.902 1.00 0.00 H new ATOM 0 HA ASP A 22 11.238 3.805 10.254 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.752 3.535 12.267 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.226 4.816 11.194 1.00 0.00 H new ATOM 349 N GLY A 23 10.006 0.900 9.635 1.00 0.00 N ATOM 350 CA GLY A 23 10.240 -0.538 9.738 1.00 0.00 C ATOM 351 C GLY A 23 9.835 -1.082 11.104 1.00 0.00 C ATOM 352 O GLY A 23 10.557 -1.885 11.693 1.00 0.00 O ATOM 0 H GLY A 23 9.342 1.171 8.910 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.678 -1.054 8.960 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.295 -0.748 9.561 1.00 0.00 H new ATOM 356 N ASP A 24 8.678 -0.648 11.611 1.00 0.00 N ATOM 357 CA ASP A 24 8.210 -1.117 12.921 1.00 0.00 C ATOM 358 C ASP A 24 7.318 -2.353 12.774 1.00 0.00 C ATOM 359 O ASP A 24 6.879 -2.931 13.770 1.00 0.00 O ATOM 360 CB ASP A 24 7.447 0.001 13.640 1.00 0.00 C ATOM 361 CG ASP A 24 6.061 0.194 13.033 1.00 0.00 C ATOM 362 OD1 ASP A 24 5.839 -0.302 11.938 1.00 0.00 O ATOM 363 OD2 ASP A 24 5.243 0.836 13.676 1.00 0.00 O ATOM 0 H ASP A 24 8.057 0.015 11.146 1.00 0.00 H new ATOM 0 HA ASP A 24 9.081 -1.394 13.515 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.354 -0.240 14.699 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.010 0.932 13.573 1.00 0.00 H new ATOM 368 N GLY A 25 7.057 -2.756 11.530 1.00 0.00 N ATOM 369 CA GLY A 25 6.218 -3.928 11.262 1.00 0.00 C ATOM 370 C GLY A 25 4.797 -3.515 10.894 1.00 0.00 C ATOM 371 O GLY A 25 3.909 -4.354 10.762 1.00 0.00 O ATOM 0 H GLY A 25 7.412 -2.291 10.694 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.652 -4.511 10.450 1.00 0.00 H new ATOM 0 HA3 GLY A 25 6.196 -4.572 12.141 1.00 0.00 H new ATOM 375 N THR A 26 4.587 -2.214 10.736 1.00 0.00 N ATOM 376 CA THR A 26 3.271 -1.690 10.383 1.00 0.00 C ATOM 377 C THR A 26 3.419 -0.488 9.459 1.00 0.00 C ATOM 378 O THR A 26 4.526 -0.004 9.230 1.00 0.00 O ATOM 379 CB THR A 26 2.513 -1.281 11.657 1.00 0.00 C ATOM 380 OG1 THR A 26 3.430 -0.715 12.587 1.00 0.00 O ATOM 381 CG2 THR A 26 1.833 -2.506 12.281 1.00 0.00 C ATOM 0 H THR A 26 5.309 -1.502 10.846 1.00 0.00 H new ATOM 0 HA THR A 26 2.707 -2.466 9.866 1.00 0.00 H new ATOM 0 HB THR A 26 1.749 -0.547 11.402 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.051 -0.123 12.114 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.299 -2.206 13.183 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.129 -2.934 11.568 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.587 -3.250 12.537 1.00 0.00 H new ATOM 389 N ILE A 27 2.288 0.002 8.950 1.00 0.00 N ATOM 390 CA ILE A 27 2.286 1.169 8.067 1.00 0.00 C ATOM 391 C ILE A 27 1.422 2.264 8.678 1.00 0.00 C ATOM 392 O ILE A 27 0.360 1.986 9.236 1.00 0.00 O ATOM 393 CB ILE A 27 1.767 0.799 6.682 1.00 0.00 C ATOM 394 CG1 ILE A 27 2.737 -0.178 6.018 1.00 0.00 C ATOM 395 CG2 ILE A 27 1.630 2.065 5.824 1.00 0.00 C ATOM 396 CD1 ILE A 27 2.071 -0.788 4.775 1.00 0.00 C ATOM 0 H ILE A 27 1.364 -0.390 9.133 1.00 0.00 H new ATOM 0 HA ILE A 27 3.308 1.531 7.958 1.00 0.00 H new ATOM 0 HB ILE A 27 0.789 0.327 6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.655 0.338 5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.015 -0.965 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.259 1.796 4.835 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.931 2.753 6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.603 2.546 5.728 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.760 -1.486 4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.165 -1.317 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.815 0.006 4.073 1.00 0.00 H new ATOM 408 N THR A 28 1.887 3.509 8.587 1.00 0.00 N ATOM 409 CA THR A 28 1.154 4.647 9.153 1.00 0.00 C ATOM 410 C THR A 28 0.775 5.652 8.066 1.00 0.00 C ATOM 411 O THR A 28 1.254 5.574 6.936 1.00 0.00 O ATOM 412 CB THR A 28 2.014 5.333 10.219 1.00 0.00 C ATOM 413 OG1 THR A 28 2.367 4.386 11.218 1.00 0.00 O ATOM 414 CG2 THR A 28 1.233 6.485 10.861 1.00 0.00 C ATOM 0 H THR A 28 2.764 3.758 8.129 1.00 0.00 H new ATOM 0 HA THR A 28 0.235 4.274 9.606 1.00 0.00 H new ATOM 0 HB THR A 28 2.915 5.730 9.752 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.919 4.821 11.901 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.852 6.967 11.618 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.963 7.213 10.096 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.328 6.096 11.327 1.00 0.00 H new ATOM 422 N THR A 29 -0.096 6.592 8.428 1.00 0.00 N ATOM 423 CA THR A 29 -0.551 7.610 7.490 1.00 0.00 C ATOM 424 C THR A 29 0.626 8.438 6.986 1.00 0.00 C ATOM 425 O THR A 29 0.724 8.746 5.798 1.00 0.00 O ATOM 426 CB THR A 29 -1.554 8.541 8.180 1.00 0.00 C ATOM 427 OG1 THR A 29 -0.898 9.243 9.227 1.00 0.00 O ATOM 428 CG2 THR A 29 -2.710 7.724 8.764 1.00 0.00 C ATOM 0 H THR A 29 -0.498 6.668 9.362 1.00 0.00 H new ATOM 0 HA THR A 29 -1.026 7.110 6.646 1.00 0.00 H new ATOM 0 HB THR A 29 -1.949 9.248 7.450 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.536 9.841 9.670 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.418 8.393 9.253 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.215 7.184 7.963 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.321 7.013 9.493 1.00 0.00 H new ATOM 436 N LYS A 30 1.510 8.800 7.908 1.00 0.00 N ATOM 437 CA LYS A 30 2.683 9.598 7.573 1.00 0.00 C ATOM 438 C LYS A 30 3.662 8.791 6.723 1.00 0.00 C ATOM 439 O LYS A 30 4.225 9.302 5.756 1.00 0.00 O ATOM 440 CB LYS A 30 3.364 10.078 8.856 1.00 0.00 C ATOM 441 CG LYS A 30 2.429 11.043 9.592 1.00 0.00 C ATOM 442 CD LYS A 30 3.090 11.509 10.892 1.00 0.00 C ATOM 443 CE LYS A 30 2.177 12.508 11.612 1.00 0.00 C ATOM 444 NZ LYS A 30 1.090 11.772 12.317 1.00 0.00 N ATOM 0 H LYS A 30 1.437 8.553 8.895 1.00 0.00 H new ATOM 0 HA LYS A 30 2.363 10.463 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.604 9.228 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.305 10.574 8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.204 11.901 8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.481 10.551 9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.287 10.653 11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.052 11.973 10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.755 13.095 12.326 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.750 13.209 10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.471 12.451 12.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.533 11.230 11.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.506 11.121 13.013 1.00 0.00 H new ATOM 458 N GLU A 31 3.854 7.523 7.088 1.00 0.00 N ATOM 459 CA GLU A 31 4.762 6.654 6.344 1.00 0.00 C ATOM 460 C GLU A 31 4.321 6.577 4.887 1.00 0.00 C ATOM 461 O GLU A 31 5.069 6.944 3.979 1.00 0.00 O ATOM 462 CB GLU A 31 4.768 5.252 6.967 1.00 0.00 C ATOM 463 CG GLU A 31 5.518 5.286 8.304 1.00 0.00 C ATOM 464 CD GLU A 31 5.429 3.930 8.996 1.00 0.00 C ATOM 465 OE1 GLU A 31 5.065 2.977 8.336 1.00 0.00 O ATOM 466 OE2 GLU A 31 5.708 3.874 10.181 1.00 0.00 O ATOM 0 H GLU A 31 3.398 7.080 7.885 1.00 0.00 H new ATOM 0 HA GLU A 31 5.771 7.065 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.746 4.907 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.245 4.544 6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.563 5.548 8.136 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.095 6.058 8.946 1.00 0.00 H new ATOM 473 N LEU A 32 3.095 6.118 4.673 1.00 0.00 N ATOM 474 CA LEU A 32 2.557 6.015 3.322 1.00 0.00 C ATOM 475 C LEU A 32 2.462 7.386 2.673 1.00 0.00 C ATOM 476 O LEU A 32 2.888 7.574 1.535 1.00 0.00 O ATOM 477 CB LEU A 32 1.168 5.370 3.390 1.00 0.00 C ATOM 478 CG LEU A 32 0.432 5.432 2.042 1.00 0.00 C ATOM 479 CD1 LEU A 32 1.166 4.574 1.019 1.00 0.00 C ATOM 480 CD2 LEU A 32 -0.989 4.897 2.223 1.00 0.00 C ATOM 0 H LEU A 32 2.459 5.813 5.410 1.00 0.00 H new ATOM 0 HA LEU A 32 3.224 5.401 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.267 4.330 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.572 5.874 4.151 1.00 0.00 H new ATOM 0 HG LEU A 32 0.398 6.464 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.643 4.619 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.183 4.947 0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.198 3.541 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.517 4.938 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.948 3.865 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.516 5.506 2.957 1.00 0.00 H new ATOM 492 N GLY A 33 1.894 8.341 3.398 1.00 0.00 N ATOM 493 CA GLY A 33 1.738 9.689 2.866 1.00 0.00 C ATOM 494 C GLY A 33 3.055 10.181 2.287 1.00 0.00 C ATOM 495 O GLY A 33 3.088 10.761 1.203 1.00 0.00 O ATOM 0 H GLY A 33 1.537 8.211 4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.968 9.696 2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.405 10.363 3.655 1.00 0.00 H new ATOM 499 N THR A 34 4.139 9.937 3.013 1.00 0.00 N ATOM 500 CA THR A 34 5.455 10.356 2.555 1.00 0.00 C ATOM 501 C THR A 34 5.782 9.666 1.237 1.00 0.00 C ATOM 502 O THR A 34 6.247 10.306 0.293 1.00 0.00 O ATOM 503 CB THR A 34 6.512 10.016 3.609 1.00 0.00 C ATOM 504 OG1 THR A 34 6.078 10.485 4.880 1.00 0.00 O ATOM 505 CG2 THR A 34 7.841 10.681 3.248 1.00 0.00 C ATOM 0 H THR A 34 4.133 9.456 3.912 1.00 0.00 H new ATOM 0 HA THR A 34 5.454 11.435 2.400 1.00 0.00 H new ATOM 0 HB THR A 34 6.651 8.935 3.643 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.602 9.768 5.348 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.588 10.434 4.003 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.176 10.321 2.275 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.708 11.762 3.209 1.00 0.00 H new ATOM 513 N VAL A 35 5.544 8.359 1.178 1.00 0.00 N ATOM 514 CA VAL A 35 5.814 7.592 -0.031 1.00 0.00 C ATOM 515 C VAL A 35 4.964 8.098 -1.194 1.00 0.00 C ATOM 516 O VAL A 35 5.426 8.178 -2.325 1.00 0.00 O ATOM 517 CB VAL A 35 5.494 6.108 0.213 1.00 0.00 C ATOM 518 CG1 VAL A 35 5.773 5.299 -1.061 1.00 0.00 C ATOM 519 CG2 VAL A 35 6.363 5.573 1.354 1.00 0.00 C ATOM 0 H VAL A 35 5.166 7.812 1.951 1.00 0.00 H new ATOM 0 HA VAL A 35 6.868 7.711 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 35 4.442 6.011 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.545 4.248 -0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.150 5.673 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.823 5.401 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.133 4.521 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.415 5.676 1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.160 6.140 2.263 1.00 0.00 H new ATOM 529 N MET A 36 3.728 8.469 -0.896 1.00 0.00 N ATOM 530 CA MET A 36 2.842 8.990 -1.943 1.00 0.00 C ATOM 531 C MET A 36 3.351 10.333 -2.493 1.00 0.00 C ATOM 532 O MET A 36 3.465 10.512 -3.708 1.00 0.00 O ATOM 533 CB MET A 36 1.427 9.151 -1.396 1.00 0.00 C ATOM 534 CG MET A 36 0.866 7.769 -1.062 1.00 0.00 C ATOM 535 SD MET A 36 -0.838 7.930 -0.462 1.00 0.00 S ATOM 536 CE MET A 36 -1.664 7.647 -2.047 1.00 0.00 C ATOM 0 H MET A 36 3.317 8.424 0.036 1.00 0.00 H new ATOM 0 HA MET A 36 2.834 8.273 -2.764 1.00 0.00 H new ATOM 0 HB2 MET A 36 1.436 9.780 -0.506 1.00 0.00 H new ATOM 0 HB3 MET A 36 0.793 9.648 -2.130 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.892 7.132 -1.946 1.00 0.00 H new ATOM 0 HG3 MET A 36 1.485 7.288 -0.304 1.00 0.00 H new ATOM 0 HE1 MET A 36 -2.654 8.103 -2.028 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.075 8.092 -2.849 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.761 6.575 -2.220 1.00 0.00 H new ATOM 546 N ARG A 37 3.645 11.266 -1.591 1.00 0.00 N ATOM 547 CA ARG A 37 4.130 12.590 -1.997 1.00 0.00 C ATOM 548 C ARG A 37 5.507 12.470 -2.649 1.00 0.00 C ATOM 549 O ARG A 37 5.753 13.042 -3.710 1.00 0.00 O ATOM 550 CB ARG A 37 4.190 13.532 -0.805 1.00 0.00 C ATOM 551 CG ARG A 37 4.592 14.920 -1.296 1.00 0.00 C ATOM 552 CD ARG A 37 4.513 15.893 -0.134 1.00 0.00 C ATOM 553 NE ARG A 37 4.782 17.259 -0.587 1.00 0.00 N ATOM 554 CZ ARG A 37 6.025 17.731 -0.663 1.00 0.00 C ATOM 555 NH1 ARG A 37 7.034 16.982 -0.304 1.00 0.00 N ATOM 556 NH2 ARG A 37 6.237 18.947 -1.095 1.00 0.00 N ATOM 0 H ARG A 37 3.558 11.136 -0.583 1.00 0.00 H new ATOM 0 HA ARG A 37 3.431 13.004 -2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.221 13.573 -0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.910 13.168 -0.072 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.603 14.898 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.932 15.241 -2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.524 15.843 0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 37 5.233 15.610 0.634 1.00 0.00 H new ATOM 0 HE ARG A 37 4.002 17.861 -0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.870 16.034 0.035 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.985 17.345 -0.363 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.450 19.534 -1.374 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.189 19.309 -1.153 1.00 0.00 H new ATOM 570 N SER A 38 6.402 11.733 -1.999 1.00 0.00 N ATOM 571 CA SER A 38 7.757 11.554 -2.512 1.00 0.00 C ATOM 572 C SER A 38 7.725 11.104 -3.969 1.00 0.00 C ATOM 573 O SER A 38 8.658 11.366 -4.728 1.00 0.00 O ATOM 574 CB SER A 38 8.494 10.505 -1.679 1.00 0.00 C ATOM 575 OG SER A 38 7.802 9.265 -1.762 1.00 0.00 O ATOM 0 H SER A 38 6.215 11.251 -1.119 1.00 0.00 H new ATOM 0 HA SER A 38 8.277 12.510 -2.446 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.516 10.389 -2.041 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.559 10.829 -0.640 1.00 0.00 H new ATOM 0 HG SER A 38 6.904 9.415 -2.124 1.00 0.00 H new ATOM 581 N LEU A 39 6.647 10.427 -4.356 1.00 0.00 N ATOM 582 CA LEU A 39 6.507 9.945 -5.730 1.00 0.00 C ATOM 583 C LEU A 39 6.000 11.050 -6.655 1.00 0.00 C ATOM 584 O LEU A 39 6.057 10.917 -7.878 1.00 0.00 O ATOM 585 CB LEU A 39 5.541 8.762 -5.751 1.00 0.00 C ATOM 586 CG LEU A 39 6.185 7.557 -5.040 1.00 0.00 C ATOM 587 CD1 LEU A 39 5.094 6.553 -4.651 1.00 0.00 C ATOM 588 CD2 LEU A 39 7.198 6.857 -5.966 1.00 0.00 C ATOM 0 H LEU A 39 5.863 10.200 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 39 7.486 9.631 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.608 9.033 -5.257 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.293 8.500 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 39 6.704 7.916 -4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.548 5.699 -4.148 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.381 7.032 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.577 6.212 -5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.642 6.009 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.688 6.506 -6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.982 7.561 -6.246 1.00 0.00 H new ATOM 600 N GLY A 40 5.533 12.148 -6.067 1.00 0.00 N ATOM 601 CA GLY A 40 5.049 13.287 -6.849 1.00 0.00 C ATOM 602 C GLY A 40 3.540 13.230 -7.055 1.00 0.00 C ATOM 603 O GLY A 40 2.998 13.916 -7.920 1.00 0.00 O ATOM 0 H GLY A 40 5.479 12.275 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.312 14.215 -6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.548 13.301 -7.818 1.00 0.00 H new ATOM 607 N GLN A 41 2.863 12.410 -6.257 1.00 0.00 N ATOM 608 CA GLN A 41 1.414 12.278 -6.366 1.00 0.00 C ATOM 609 C GLN A 41 0.703 13.429 -5.644 1.00 0.00 C ATOM 610 O GLN A 41 1.034 13.764 -4.506 1.00 0.00 O ATOM 611 CB GLN A 41 0.973 10.935 -5.782 1.00 0.00 C ATOM 612 CG GLN A 41 1.447 9.796 -6.696 1.00 0.00 C ATOM 613 CD GLN A 41 1.054 8.442 -6.105 1.00 0.00 C ATOM 614 OE1 GLN A 41 0.347 8.383 -5.098 1.00 0.00 O ATOM 615 NE2 GLN A 41 1.473 7.344 -6.675 1.00 0.00 N ATOM 0 H GLN A 41 3.290 11.831 -5.534 1.00 0.00 H new ATOM 0 HA GLN A 41 1.140 12.320 -7.420 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.387 10.808 -4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.112 10.908 -5.684 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.007 9.909 -7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.529 9.846 -6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.058 7.394 -7.509 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.215 6.437 -6.286 1.00 0.00 H new ATOM 624 N ASN A 42 -0.272 14.032 -6.327 1.00 0.00 N ATOM 625 CA ASN A 42 -1.033 15.155 -5.768 1.00 0.00 C ATOM 626 C ASN A 42 -1.314 14.947 -4.275 1.00 0.00 C ATOM 627 O ASN A 42 -1.340 13.815 -3.794 1.00 0.00 O ATOM 628 CB ASN A 42 -2.364 15.301 -6.537 1.00 0.00 C ATOM 629 CG ASN A 42 -2.187 16.207 -7.754 1.00 0.00 C ATOM 630 OD1 ASN A 42 -2.667 17.342 -7.760 1.00 0.00 O ATOM 631 ND2 ASN A 42 -1.519 15.770 -8.784 1.00 0.00 N ATOM 0 H ASN A 42 -0.555 13.762 -7.269 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.440 16.063 -5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.715 14.320 -6.856 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.127 15.714 -5.878 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.391 16.368 -9.600 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.124 14.830 -8.774 1.00 0.00 H new ATOM 638 N PRO A 43 -1.532 16.016 -3.543 1.00 0.00 N ATOM 639 CA PRO A 43 -1.827 15.941 -2.080 1.00 0.00 C ATOM 640 C PRO A 43 -3.111 15.161 -1.805 1.00 0.00 C ATOM 641 O PRO A 43 -4.198 15.565 -2.221 1.00 0.00 O ATOM 642 CB PRO A 43 -1.947 17.417 -1.644 1.00 0.00 C ATOM 643 CG PRO A 43 -2.220 18.179 -2.904 1.00 0.00 C ATOM 644 CD PRO A 43 -1.524 17.410 -4.023 1.00 0.00 C ATOM 0 HA PRO A 43 -1.053 15.409 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.752 17.550 -0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -1.030 17.762 -1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.291 18.253 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.837 19.197 -2.834 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.055 17.511 -4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -0.509 17.772 -4.187 1.00 0.00 H new ATOM 652 N THR A 44 -2.976 14.043 -1.095 1.00 0.00 N ATOM 653 CA THR A 44 -4.126 13.208 -0.760 1.00 0.00 C ATOM 654 C THR A 44 -3.884 12.474 0.559 1.00 0.00 C ATOM 655 O THR A 44 -4.631 11.569 0.923 1.00 0.00 O ATOM 656 CB THR A 44 -4.386 12.208 -1.897 1.00 0.00 C ATOM 657 OG1 THR A 44 -5.682 11.647 -1.746 1.00 0.00 O ATOM 658 CG2 THR A 44 -3.337 11.094 -1.873 1.00 0.00 C ATOM 0 H THR A 44 -2.084 13.696 -0.742 1.00 0.00 H new ATOM 0 HA THR A 44 -5.005 13.841 -0.639 1.00 0.00 H new ATOM 0 HB THR A 44 -4.322 12.731 -2.851 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.849 11.010 -2.472 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.533 10.392 -2.684 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.344 11.526 -1.999 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.386 10.569 -0.919 1.00 0.00 H new ATOM 666 N GLU A 45 -2.841 12.880 1.274 1.00 0.00 N ATOM 667 CA GLU A 45 -2.514 12.265 2.554 1.00 0.00 C ATOM 668 C GLU A 45 -3.717 12.329 3.493 1.00 0.00 C ATOM 669 O GLU A 45 -3.822 11.552 4.443 1.00 0.00 O ATOM 670 CB GLU A 45 -1.315 12.995 3.176 1.00 0.00 C ATOM 671 CG GLU A 45 -0.982 12.389 4.541 1.00 0.00 C ATOM 672 CD GLU A 45 0.277 13.037 5.110 1.00 0.00 C ATOM 673 OE1 GLU A 45 0.997 13.661 4.347 1.00 0.00 O ATOM 674 OE2 GLU A 45 0.503 12.901 6.302 1.00 0.00 O ATOM 0 H GLU A 45 -2.210 13.629 0.990 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.256 11.218 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.451 12.920 2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -1.542 14.056 3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.817 12.536 5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.835 11.313 4.444 1.00 0.00 H new ATOM 681 N ALA A 46 -4.637 13.239 3.197 1.00 0.00 N ATOM 682 CA ALA A 46 -5.844 13.383 4.005 1.00 0.00 C ATOM 683 C ALA A 46 -6.816 12.246 3.708 1.00 0.00 C ATOM 684 O ALA A 46 -7.422 11.670 4.616 1.00 0.00 O ATOM 685 CB ALA A 46 -6.506 14.729 3.710 1.00 0.00 C ATOM 0 H ALA A 46 -4.573 13.884 2.410 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.571 13.342 5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.407 14.832 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.813 15.536 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.771 14.780 2.654 1.00 0.00 H new ATOM 691 N GLU A 47 -6.946 11.925 2.428 1.00 0.00 N ATOM 692 CA GLU A 47 -7.832 10.853 2.001 1.00 0.00 C ATOM 693 C GLU A 47 -7.444 9.550 2.690 1.00 0.00 C ATOM 694 O GLU A 47 -8.294 8.851 3.245 1.00 0.00 O ATOM 695 CB GLU A 47 -7.732 10.678 0.479 1.00 0.00 C ATOM 696 CG GLU A 47 -8.568 11.749 -0.241 1.00 0.00 C ATOM 697 CD GLU A 47 -10.056 11.524 0.009 1.00 0.00 C ATOM 698 OE1 GLU A 47 -10.420 10.407 0.341 1.00 0.00 O ATOM 699 OE2 GLU A 47 -10.811 12.473 -0.136 1.00 0.00 O ATOM 0 H GLU A 47 -6.450 12.391 1.669 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.856 11.109 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -6.690 10.750 0.166 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.082 9.685 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.280 12.740 0.110 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.365 11.719 -1.311 1.00 0.00 H new ATOM 706 N LEU A 48 -6.158 9.230 2.652 1.00 0.00 N ATOM 707 CA LEU A 48 -5.673 8.009 3.275 1.00 0.00 C ATOM 708 C LEU A 48 -5.979 8.038 4.769 1.00 0.00 C ATOM 709 O LEU A 48 -6.550 7.094 5.310 1.00 0.00 O ATOM 710 CB LEU A 48 -4.162 7.908 3.052 1.00 0.00 C ATOM 711 CG LEU A 48 -3.854 7.308 1.671 1.00 0.00 C ATOM 712 CD1 LEU A 48 -4.272 5.823 1.607 1.00 0.00 C ATOM 713 CD2 LEU A 48 -4.597 8.109 0.597 1.00 0.00 C ATOM 0 H LEU A 48 -5.438 9.794 2.200 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.167 7.144 2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.711 8.897 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.715 7.289 3.830 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.780 7.363 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.043 5.423 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.726 5.258 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.343 5.738 1.794 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.382 7.688 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.670 8.062 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.269 9.148 0.626 1.00 0.00 H new ATOM 725 N GLN A 49 -5.601 9.126 5.429 1.00 0.00 N ATOM 726 CA GLN A 49 -5.849 9.248 6.864 1.00 0.00 C ATOM 727 C GLN A 49 -7.278 8.827 7.195 1.00 0.00 C ATOM 728 O GLN A 49 -7.519 8.147 8.195 1.00 0.00 O ATOM 729 CB GLN A 49 -5.623 10.701 7.302 1.00 0.00 C ATOM 730 CG GLN A 49 -4.126 10.968 7.480 1.00 0.00 C ATOM 731 CD GLN A 49 -3.888 12.448 7.750 1.00 0.00 C ATOM 732 OE1 GLN A 49 -4.116 13.286 6.878 1.00 0.00 O ATOM 733 NE2 GLN A 49 -3.440 12.824 8.916 1.00 0.00 N ATOM 0 H GLN A 49 -5.130 9.925 5.005 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.160 8.594 7.398 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.036 11.382 6.558 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.149 10.893 8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.738 10.372 8.306 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.585 10.662 6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.251 12.129 9.638 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.278 13.813 9.106 1.00 0.00 H new ATOM 742 N ASP A 50 -8.213 9.227 6.350 1.00 0.00 N ATOM 743 CA ASP A 50 -9.614 8.885 6.556 1.00 0.00 C ATOM 744 C ASP A 50 -9.861 7.401 6.285 1.00 0.00 C ATOM 745 O ASP A 50 -10.624 6.752 7.000 1.00 0.00 O ATOM 746 CB ASP A 50 -10.489 9.731 5.632 1.00 0.00 C ATOM 747 CG ASP A 50 -11.955 9.613 6.036 1.00 0.00 C ATOM 748 OD1 ASP A 50 -12.271 8.710 6.794 1.00 0.00 O ATOM 749 OD2 ASP A 50 -12.741 10.428 5.582 1.00 0.00 O ATOM 0 H ASP A 50 -8.031 9.787 5.517 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.870 9.090 7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.175 10.774 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.362 9.404 4.600 1.00 0.00 H new ATOM 754 N MET A 51 -9.218 6.869 5.246 1.00 0.00 N ATOM 755 CA MET A 51 -9.384 5.456 4.897 1.00 0.00 C ATOM 756 C MET A 51 -8.758 4.550 5.951 1.00 0.00 C ATOM 757 O MET A 51 -9.365 3.573 6.380 1.00 0.00 O ATOM 758 CB MET A 51 -8.742 5.177 3.536 1.00 0.00 C ATOM 759 CG MET A 51 -9.625 5.758 2.427 1.00 0.00 C ATOM 760 SD MET A 51 -8.901 5.369 0.810 1.00 0.00 S ATOM 761 CE MET A 51 -8.457 7.054 0.319 1.00 0.00 C ATOM 0 H MET A 51 -8.584 7.387 4.637 1.00 0.00 H new ATOM 0 HA MET A 51 -10.452 5.243 4.851 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.747 5.620 3.493 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.619 4.103 3.393 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.632 5.345 2.495 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.714 6.838 2.547 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.022 7.039 -0.680 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.350 7.679 0.317 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.732 7.459 1.025 1.00 0.00 H new ATOM 771 N ILE A 52 -7.546 4.887 6.380 1.00 0.00 N ATOM 772 CA ILE A 52 -6.863 4.094 7.393 1.00 0.00 C ATOM 773 C ILE A 52 -7.662 4.111 8.691 1.00 0.00 C ATOM 774 O ILE A 52 -7.819 3.083 9.350 1.00 0.00 O ATOM 775 CB ILE A 52 -5.436 4.629 7.622 1.00 0.00 C ATOM 776 CG1 ILE A 52 -4.570 4.302 6.390 1.00 0.00 C ATOM 777 CG2 ILE A 52 -4.831 3.987 8.874 1.00 0.00 C ATOM 778 CD1 ILE A 52 -3.196 4.981 6.496 1.00 0.00 C ATOM 0 H ILE A 52 -7.022 5.696 6.045 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.786 3.064 7.045 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.470 5.709 7.766 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.442 3.223 6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.077 4.635 5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.822 4.371 9.028 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.447 4.227 9.740 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.792 2.905 8.746 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.601 4.737 5.616 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.328 6.061 6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.683 4.627 7.390 1.00 0.00 H new ATOM 790 N ASN A 53 -8.163 5.282 9.046 1.00 0.00 N ATOM 791 CA ASN A 53 -8.950 5.434 10.262 1.00 0.00 C ATOM 792 C ASN A 53 -10.057 4.381 10.324 1.00 0.00 C ATOM 793 O ASN A 53 -10.516 4.015 11.406 1.00 0.00 O ATOM 794 CB ASN A 53 -9.561 6.839 10.300 1.00 0.00 C ATOM 795 CG ASN A 53 -10.356 7.042 11.587 1.00 0.00 C ATOM 796 OD1 ASN A 53 -11.176 6.201 11.955 1.00 0.00 O ATOM 797 ND2 ASN A 53 -10.160 8.119 12.297 1.00 0.00 N ATOM 0 H ASN A 53 -8.040 6.142 8.511 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.298 5.295 11.124 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.771 7.587 10.232 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.212 6.982 9.437 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.687 8.265 13.158 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.480 8.815 11.991 1.00 0.00 H new ATOM 804 N GLU A 54 -10.493 3.902 9.156 1.00 0.00 N ATOM 805 CA GLU A 54 -11.560 2.899 9.092 1.00 0.00 C ATOM 806 C GLU A 54 -10.993 1.484 8.928 1.00 0.00 C ATOM 807 O GLU A 54 -11.515 0.532 9.505 1.00 0.00 O ATOM 808 CB GLU A 54 -12.493 3.219 7.919 1.00 0.00 C ATOM 809 CG GLU A 54 -13.243 4.523 8.208 1.00 0.00 C ATOM 810 CD GLU A 54 -14.105 4.918 7.014 1.00 0.00 C ATOM 811 OE1 GLU A 54 -14.122 4.176 6.045 1.00 0.00 O ATOM 812 OE2 GLU A 54 -14.736 5.962 7.084 1.00 0.00 O ATOM 0 H GLU A 54 -10.127 4.189 8.248 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.114 2.933 10.030 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.918 3.314 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.201 2.404 7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.869 4.401 9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.531 5.318 8.429 1.00 0.00 H new ATOM 819 N VAL A 55 -9.940 1.350 8.126 1.00 0.00 N ATOM 820 CA VAL A 55 -9.338 0.038 7.881 1.00 0.00 C ATOM 821 C VAL A 55 -8.778 -0.578 9.172 1.00 0.00 C ATOM 822 O VAL A 55 -8.971 -1.767 9.425 1.00 0.00 O ATOM 823 CB VAL A 55 -8.215 0.154 6.842 1.00 0.00 C ATOM 824 CG1 VAL A 55 -7.549 -1.212 6.653 1.00 0.00 C ATOM 825 CG2 VAL A 55 -8.782 0.629 5.495 1.00 0.00 C ATOM 0 H VAL A 55 -9.488 2.124 7.638 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.123 -0.616 7.502 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.482 0.879 7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.751 -1.129 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.131 -1.548 7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.290 -1.933 6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.974 0.707 4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.523 -0.087 5.139 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.252 1.605 5.622 1.00 0.00 H new ATOM 835 N ASP A 56 -8.073 0.219 9.974 1.00 0.00 N ATOM 836 CA ASP A 56 -7.486 -0.290 11.214 1.00 0.00 C ATOM 837 C ASP A 56 -8.518 -1.091 12.011 1.00 0.00 C ATOM 838 O ASP A 56 -9.633 -0.627 12.245 1.00 0.00 O ATOM 839 CB ASP A 56 -6.959 0.871 12.060 1.00 0.00 C ATOM 840 CG ASP A 56 -6.046 0.346 13.165 1.00 0.00 C ATOM 841 OD1 ASP A 56 -6.557 -0.271 14.085 1.00 0.00 O ATOM 842 OD2 ASP A 56 -4.849 0.568 13.070 1.00 0.00 O ATOM 0 H ASP A 56 -7.896 1.207 9.792 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.658 -0.951 10.958 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.412 1.572 11.429 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.793 1.420 12.497 1.00 0.00 H new ATOM 847 N ALA A 57 -8.134 -2.304 12.411 1.00 0.00 N ATOM 848 CA ALA A 57 -9.027 -3.182 13.166 1.00 0.00 C ATOM 849 C ALA A 57 -9.187 -2.726 14.620 1.00 0.00 C ATOM 850 O ALA A 57 -10.290 -2.760 15.166 1.00 0.00 O ATOM 851 CB ALA A 57 -8.491 -4.615 13.133 1.00 0.00 C ATOM 0 H ALA A 57 -7.212 -2.700 12.225 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.009 -3.138 12.695 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.159 -5.266 13.697 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -8.435 -4.959 12.100 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.497 -4.642 13.579 1.00 0.00 H new ATOM 857 N ASP A 58 -8.083 -2.320 15.249 1.00 0.00 N ATOM 858 CA ASP A 58 -8.119 -1.879 16.651 1.00 0.00 C ATOM 859 C ASP A 58 -8.241 -0.359 16.748 1.00 0.00 C ATOM 860 O ASP A 58 -8.245 0.198 17.846 1.00 0.00 O ATOM 861 CB ASP A 58 -6.844 -2.324 17.372 1.00 0.00 C ATOM 862 CG ASP A 58 -6.775 -3.848 17.438 1.00 0.00 C ATOM 863 OD1 ASP A 58 -7.815 -4.475 17.307 1.00 0.00 O ATOM 864 OD2 ASP A 58 -5.683 -4.364 17.617 1.00 0.00 O ATOM 0 H ASP A 58 -7.159 -2.286 14.818 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.991 -2.332 17.121 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.969 -1.936 16.850 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.824 -1.909 18.380 1.00 0.00 H new ATOM 869 N GLY A 59 -8.328 0.310 15.602 1.00 0.00 N ATOM 870 CA GLY A 59 -8.429 1.766 15.591 1.00 0.00 C ATOM 871 C GLY A 59 -7.098 2.386 16.001 1.00 0.00 C ATOM 872 O GLY A 59 -7.048 3.503 16.517 1.00 0.00 O ATOM 0 H GLY A 59 -8.331 -0.126 14.680 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.709 2.111 14.596 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.215 2.089 16.273 1.00 0.00 H new ATOM 876 N ASN A 60 -6.023 1.635 15.772 1.00 0.00 N ATOM 877 CA ASN A 60 -4.682 2.082 16.119 1.00 0.00 C ATOM 878 C ASN A 60 -4.199 3.140 15.134 1.00 0.00 C ATOM 879 O ASN A 60 -3.308 3.931 15.441 1.00 0.00 O ATOM 880 CB ASN A 60 -3.726 0.881 16.096 1.00 0.00 C ATOM 881 CG ASN A 60 -3.897 0.042 17.360 1.00 0.00 C ATOM 882 OD1 ASN A 60 -4.489 0.501 18.338 1.00 0.00 O ATOM 883 ND2 ASN A 60 -3.406 -1.168 17.400 1.00 0.00 N ATOM 0 H ASN A 60 -6.059 0.709 15.345 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.702 2.520 17.117 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.922 0.269 15.216 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.696 1.229 16.019 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.513 -1.734 18.242 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.916 -1.547 16.589 1.00 0.00 H new ATOM 890 N GLY A 61 -4.798 3.144 13.947 1.00 0.00 N ATOM 891 CA GLY A 61 -4.427 4.101 12.914 1.00 0.00 C ATOM 892 C GLY A 61 -3.278 3.569 12.064 1.00 0.00 C ATOM 893 O GLY A 61 -2.574 4.333 11.403 1.00 0.00 O ATOM 0 H GLY A 61 -5.540 2.497 13.679 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.288 4.308 12.279 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.136 5.045 13.375 1.00 0.00 H new ATOM 897 N THR A 62 -3.091 2.246 12.082 1.00 0.00 N ATOM 898 CA THR A 62 -2.024 1.615 11.306 1.00 0.00 C ATOM 899 C THR A 62 -2.560 0.425 10.516 1.00 0.00 C ATOM 900 O THR A 62 -3.541 -0.207 10.914 1.00 0.00 O ATOM 901 CB THR A 62 -0.923 1.139 12.251 1.00 0.00 C ATOM 902 OG1 THR A 62 -1.439 0.129 13.110 1.00 0.00 O ATOM 903 CG2 THR A 62 -0.419 2.316 13.084 1.00 0.00 C ATOM 0 H THR A 62 -3.662 1.596 12.623 1.00 0.00 H new ATOM 0 HA THR A 62 -1.625 2.348 10.605 1.00 0.00 H new ATOM 0 HB THR A 62 -0.096 0.731 11.670 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.732 -0.178 13.715 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.367 1.975 13.758 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.021 3.086 12.423 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.243 2.729 13.667 1.00 0.00 H new ATOM 911 N ILE A 63 -1.900 0.116 9.396 1.00 0.00 N ATOM 912 CA ILE A 63 -2.305 -1.014 8.552 1.00 0.00 C ATOM 913 C ILE A 63 -1.331 -2.174 8.716 1.00 0.00 C ATOM 914 O ILE A 63 -0.130 -2.034 8.473 1.00 0.00 O ATOM 915 CB ILE A 63 -2.335 -0.588 7.081 1.00 0.00 C ATOM 916 CG1 ILE A 63 -3.150 0.703 6.932 1.00 0.00 C ATOM 917 CG2 ILE A 63 -2.968 -1.692 6.231 1.00 0.00 C ATOM 918 CD1 ILE A 63 -4.516 0.542 7.602 1.00 0.00 C ATOM 0 H ILE A 63 -1.087 0.629 9.053 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.301 -1.333 8.860 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.314 -0.414 6.741 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.611 1.537 7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.280 0.941 5.876 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.986 -1.382 5.186 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.383 -2.607 6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.987 -1.875 6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.087 1.464 7.491 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.057 -0.279 7.132 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.378 0.326 8.662 1.00 0.00 H new ATOM 930 N ASP A 64 -1.857 -3.313 9.157 1.00 0.00 N ATOM 931 CA ASP A 64 -1.033 -4.495 9.378 1.00 0.00 C ATOM 932 C ASP A 64 -0.718 -5.204 8.060 1.00 0.00 C ATOM 933 O ASP A 64 -1.257 -4.866 7.007 1.00 0.00 O ATOM 934 CB ASP A 64 -1.759 -5.451 10.327 1.00 0.00 C ATOM 935 CG ASP A 64 -2.304 -4.685 11.527 1.00 0.00 C ATOM 936 OD1 ASP A 64 -1.688 -3.701 11.905 1.00 0.00 O ATOM 937 OD2 ASP A 64 -3.332 -5.092 12.048 1.00 0.00 O ATOM 0 H ASP A 64 -2.847 -3.442 9.367 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.089 -4.181 9.823 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.575 -5.947 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.075 -6.231 10.663 1.00 0.00 H new ATOM 942 N PHE A 65 0.162 -6.201 8.142 1.00 0.00 N ATOM 943 CA PHE A 65 0.568 -6.987 6.976 1.00 0.00 C ATOM 944 C PHE A 65 -0.635 -7.595 6.232 1.00 0.00 C ATOM 945 O PHE A 65 -0.747 -7.445 5.014 1.00 0.00 O ATOM 946 CB PHE A 65 1.539 -8.112 7.411 1.00 0.00 C ATOM 947 CG PHE A 65 2.265 -7.704 8.668 1.00 0.00 C ATOM 948 CD1 PHE A 65 1.675 -7.895 9.928 1.00 0.00 C ATOM 949 CD2 PHE A 65 3.531 -7.130 8.572 1.00 0.00 C ATOM 950 CE1 PHE A 65 2.360 -7.510 11.085 1.00 0.00 C ATOM 951 CE2 PHE A 65 4.216 -6.744 9.727 1.00 0.00 C ATOM 952 CZ PHE A 65 3.632 -6.935 10.984 1.00 0.00 C ATOM 0 H PHE A 65 0.611 -6.486 9.012 1.00 0.00 H new ATOM 0 HA PHE A 65 1.069 -6.308 6.286 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.986 -9.035 7.583 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.256 -8.314 6.615 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.693 -8.339 10.003 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.984 -6.983 7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.908 -7.656 12.055 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.197 -6.298 9.649 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.163 -6.639 11.877 1.00 0.00 H new ATOM 962 N PRO A 66 -1.518 -8.300 6.915 1.00 0.00 N ATOM 963 CA PRO A 66 -2.701 -8.957 6.262 1.00 0.00 C ATOM 964 C PRO A 66 -3.625 -7.969 5.546 1.00 0.00 C ATOM 965 O PRO A 66 -3.974 -8.165 4.381 1.00 0.00 O ATOM 966 CB PRO A 66 -3.437 -9.647 7.434 1.00 0.00 C ATOM 967 CG PRO A 66 -2.946 -8.965 8.670 1.00 0.00 C ATOM 968 CD PRO A 66 -1.514 -8.556 8.374 1.00 0.00 C ATOM 0 HA PRO A 66 -2.385 -9.645 5.478 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.518 -9.546 7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.218 -10.714 7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.560 -8.096 8.908 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.992 -9.633 9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.227 -7.667 8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.809 -9.343 8.641 1.00 0.00 H new ATOM 976 N GLU A 67 -4.031 -6.929 6.256 1.00 0.00 N ATOM 977 CA GLU A 67 -4.933 -5.935 5.690 1.00 0.00 C ATOM 978 C GLU A 67 -4.446 -5.473 4.325 1.00 0.00 C ATOM 979 O GLU A 67 -5.204 -5.460 3.356 1.00 0.00 O ATOM 980 CB GLU A 67 -5.026 -4.737 6.634 1.00 0.00 C ATOM 981 CG GLU A 67 -5.679 -5.169 7.949 1.00 0.00 C ATOM 982 CD GLU A 67 -7.141 -5.531 7.709 1.00 0.00 C ATOM 983 OE1 GLU A 67 -7.681 -5.089 6.709 1.00 0.00 O ATOM 984 OE2 GLU A 67 -7.695 -6.246 8.529 1.00 0.00 O ATOM 0 H GLU A 67 -3.753 -6.750 7.221 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.917 -6.389 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.032 -4.334 6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.609 -3.941 6.171 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.147 -6.025 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.610 -4.364 8.681 1.00 0.00 H new ATOM 991 N PHE A 68 -3.178 -5.095 4.254 1.00 0.00 N ATOM 992 CA PHE A 68 -2.604 -4.635 2.999 1.00 0.00 C ATOM 993 C PHE A 68 -2.659 -5.734 1.947 1.00 0.00 C ATOM 994 O PHE A 68 -3.113 -5.519 0.825 1.00 0.00 O ATOM 995 CB PHE A 68 -1.158 -4.209 3.224 1.00 0.00 C ATOM 996 CG PHE A 68 -0.546 -3.788 1.911 1.00 0.00 C ATOM 997 CD1 PHE A 68 -0.061 -4.758 1.030 1.00 0.00 C ATOM 998 CD2 PHE A 68 -0.455 -2.432 1.583 1.00 0.00 C ATOM 999 CE1 PHE A 68 0.514 -4.375 -0.183 1.00 0.00 C ATOM 1000 CE2 PHE A 68 0.117 -2.048 0.366 1.00 0.00 C ATOM 1001 CZ PHE A 68 0.603 -3.020 -0.518 1.00 0.00 C ATOM 0 H PHE A 68 -2.532 -5.098 5.043 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.185 -3.785 2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.117 -3.385 3.937 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.588 -5.032 3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.131 -5.804 1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.825 -1.683 2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.890 -5.125 -0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.184 -1.002 0.108 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.046 -2.723 -1.457 1.00 0.00 H new ATOM 1011 N LEU A 69 -2.206 -6.915 2.326 1.00 0.00 N ATOM 1012 CA LEU A 69 -2.209 -8.051 1.418 1.00 0.00 C ATOM 1013 C LEU A 69 -3.605 -8.267 0.844 1.00 0.00 C ATOM 1014 O LEU A 69 -3.765 -8.813 -0.247 1.00 0.00 O ATOM 1015 CB LEU A 69 -1.719 -9.301 2.169 1.00 0.00 C ATOM 1016 CG LEU A 69 -2.003 -10.592 1.351 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -0.842 -11.583 1.517 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -3.300 -11.264 1.843 1.00 0.00 C ATOM 0 H LEU A 69 -1.832 -7.114 3.254 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.535 -7.855 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.650 -9.217 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.214 -9.364 3.138 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.110 -10.316 0.302 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.048 -12.485 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.080 -11.126 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.733 -11.842 2.570 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.486 -12.167 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.197 -11.526 2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.136 -10.575 1.721 1.00 0.00 H new ATOM 1030 N THR A 70 -4.621 -7.861 1.596 1.00 0.00 N ATOM 1031 CA THR A 70 -6.005 -8.034 1.158 1.00 0.00 C ATOM 1032 C THR A 70 -6.441 -6.919 0.209 1.00 0.00 C ATOM 1033 O THR A 70 -6.643 -7.149 -0.983 1.00 0.00 O ATOM 1034 CB THR A 70 -6.924 -8.057 2.376 1.00 0.00 C ATOM 1035 OG1 THR A 70 -6.537 -9.122 3.235 1.00 0.00 O ATOM 1036 CG2 THR A 70 -8.369 -8.263 1.920 1.00 0.00 C ATOM 0 H THR A 70 -4.517 -7.412 2.506 1.00 0.00 H new ATOM 0 HA THR A 70 -6.072 -8.978 0.618 1.00 0.00 H new ATOM 0 HB THR A 70 -6.847 -7.111 2.912 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.694 -8.894 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.026 -8.280 2.790 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.662 -7.447 1.259 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.450 -9.210 1.386 1.00 0.00 H new ATOM 1044 N MET A 71 -6.604 -5.714 0.744 1.00 0.00 N ATOM 1045 CA MET A 71 -7.040 -4.581 -0.069 1.00 0.00 C ATOM 1046 C MET A 71 -6.189 -4.433 -1.330 1.00 0.00 C ATOM 1047 O MET A 71 -6.603 -3.779 -2.287 1.00 0.00 O ATOM 1048 CB MET A 71 -7.006 -3.273 0.764 1.00 0.00 C ATOM 1049 CG MET A 71 -5.607 -2.626 0.761 1.00 0.00 C ATOM 1050 SD MET A 71 -5.679 -1.042 1.629 1.00 0.00 S ATOM 1051 CE MET A 71 -5.159 -1.643 3.250 1.00 0.00 C ATOM 0 H MET A 71 -6.443 -5.496 1.727 1.00 0.00 H new ATOM 0 HA MET A 71 -8.066 -4.774 -0.383 1.00 0.00 H new ATOM 0 HB2 MET A 71 -7.733 -2.568 0.362 1.00 0.00 H new ATOM 0 HB3 MET A 71 -7.304 -3.488 1.790 1.00 0.00 H new ATOM 0 HG2 MET A 71 -4.887 -3.286 1.245 1.00 0.00 H new ATOM 0 HG3 MET A 71 -5.265 -2.477 -0.263 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.433 -0.915 4.013 1.00 0.00 H new ATOM 0 HE2 MET A 71 -5.651 -2.592 3.461 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.078 -1.786 3.256 1.00 0.00 H new ATOM 1061 N MET A 72 -5.005 -5.044 -1.333 1.00 0.00 N ATOM 1062 CA MET A 72 -4.121 -4.977 -2.498 1.00 0.00 C ATOM 1063 C MET A 72 -4.377 -6.136 -3.471 1.00 0.00 C ATOM 1064 O MET A 72 -4.185 -5.999 -4.679 1.00 0.00 O ATOM 1065 CB MET A 72 -2.657 -4.942 -2.041 1.00 0.00 C ATOM 1066 CG MET A 72 -2.125 -6.352 -1.800 1.00 0.00 C ATOM 1067 SD MET A 72 -1.586 -7.080 -3.369 1.00 0.00 S ATOM 1068 CE MET A 72 0.082 -6.381 -3.391 1.00 0.00 C ATOM 0 H MET A 72 -4.638 -5.586 -0.551 1.00 0.00 H new ATOM 0 HA MET A 72 -4.338 -4.057 -3.041 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.049 -4.444 -2.796 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.572 -4.356 -1.126 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.292 -6.321 -1.097 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.900 -6.971 -1.348 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.422 -6.284 -4.422 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.071 -5.399 -2.918 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.759 -7.039 -2.846 1.00 0.00 H new ATOM 1078 N ALA A 73 -4.768 -7.283 -2.918 1.00 0.00 N ATOM 1079 CA ALA A 73 -5.008 -8.486 -3.720 1.00 0.00 C ATOM 1080 C ALA A 73 -6.104 -8.259 -4.751 1.00 0.00 C ATOM 1081 O ALA A 73 -6.035 -8.774 -5.866 1.00 0.00 O ATOM 1082 CB ALA A 73 -5.411 -9.641 -2.802 1.00 0.00 C ATOM 0 H ALA A 73 -4.926 -7.407 -1.918 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.086 -8.728 -4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.589 -10.535 -3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.610 -9.835 -2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.321 -9.377 -2.263 1.00 0.00 H new ATOM 1088 N ARG A 74 -7.113 -7.489 -4.374 1.00 0.00 N ATOM 1089 CA ARG A 74 -8.221 -7.201 -5.274 1.00 0.00 C ATOM 1090 C ARG A 74 -7.735 -6.423 -6.497 1.00 0.00 C ATOM 1091 O ARG A 74 -8.540 -5.975 -7.314 1.00 0.00 O ATOM 1092 CB ARG A 74 -9.303 -6.407 -4.527 1.00 0.00 C ATOM 1093 CG ARG A 74 -8.638 -5.433 -3.548 1.00 0.00 C ATOM 1094 CD ARG A 74 -9.668 -4.424 -3.046 1.00 0.00 C ATOM 1095 NE ARG A 74 -10.154 -3.606 -4.153 1.00 0.00 N ATOM 1096 CZ ARG A 74 -11.170 -2.762 -3.991 1.00 0.00 C ATOM 1097 NH1 ARG A 74 -11.759 -2.661 -2.830 1.00 0.00 N ATOM 1098 NH2 ARG A 74 -11.579 -2.036 -4.996 1.00 0.00 N ATOM 0 H ARG A 74 -7.188 -7.053 -3.455 1.00 0.00 H new ATOM 0 HA ARG A 74 -8.647 -8.143 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.923 -5.859 -5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.962 -7.088 -3.988 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -8.212 -5.981 -2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.815 -4.913 -4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.502 -4.947 -2.577 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.222 -3.787 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 74 -9.707 -3.683 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.440 -3.230 -2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.538 -2.014 -2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.120 -2.116 -5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.358 -1.389 -4.874 1.00 0.00 H new ATOM 1112 N LYS A 75 -6.410 -6.267 -6.612 1.00 0.00 N ATOM 1113 CA LYS A 75 -5.798 -5.543 -7.731 1.00 0.00 C ATOM 1114 C LYS A 75 -6.608 -5.711 -9.013 1.00 0.00 C ATOM 1115 O LYS A 75 -7.296 -6.715 -9.201 1.00 0.00 O ATOM 1116 CB LYS A 75 -4.371 -6.052 -7.953 1.00 0.00 C ATOM 1117 CG LYS A 75 -3.681 -5.219 -9.036 1.00 0.00 C ATOM 1118 CD LYS A 75 -2.231 -5.687 -9.196 1.00 0.00 C ATOM 1119 CE LYS A 75 -1.533 -4.847 -10.270 1.00 0.00 C ATOM 1120 NZ LYS A 75 -0.126 -5.313 -10.436 1.00 0.00 N ATOM 0 H LYS A 75 -5.738 -6.636 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.780 -4.483 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.806 -5.993 -7.023 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.392 -7.101 -8.248 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.213 -5.320 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.706 -4.163 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.702 -5.594 -8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.207 -6.741 -9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.068 -4.931 -11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.547 -3.794 -9.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.345 -4.741 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.382 -5.211 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.123 -6.312 -10.724 1.00 0.00 H new ATOM 1134 N MET A 76 -6.533 -4.707 -9.879 1.00 0.00 N ATOM 1135 CA MET A 76 -7.278 -4.738 -11.130 1.00 0.00 C ATOM 1136 C MET A 76 -7.081 -6.071 -11.842 1.00 0.00 C ATOM 1137 O MET A 76 -5.977 -6.615 -11.885 1.00 0.00 O ATOM 1138 CB MET A 76 -6.841 -3.576 -12.037 1.00 0.00 C ATOM 1139 CG MET A 76 -5.329 -3.355 -11.931 1.00 0.00 C ATOM 1140 SD MET A 76 -4.845 -2.043 -13.083 1.00 0.00 S ATOM 1141 CE MET A 76 -3.051 -2.231 -12.937 1.00 0.00 C ATOM 0 H MET A 76 -5.969 -3.869 -9.739 1.00 0.00 H new ATOM 0 HA MET A 76 -8.338 -4.626 -10.903 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.112 -3.791 -13.071 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.369 -2.666 -11.752 1.00 0.00 H new ATOM 0 HG2 MET A 76 -5.059 -3.080 -10.911 1.00 0.00 H new ATOM 0 HG3 MET A 76 -4.796 -4.277 -12.164 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.555 -1.503 -13.579 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.751 -2.066 -11.902 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.765 -3.238 -13.242 1.00 0.00 H new ATOM 1151 N LYS A 77 -8.174 -6.588 -12.401 1.00 0.00 N ATOM 1152 CA LYS A 77 -8.151 -7.860 -13.121 1.00 0.00 C ATOM 1153 C LYS A 77 -8.122 -7.607 -14.626 1.00 0.00 C ATOM 1154 O LYS A 77 -7.857 -6.479 -15.012 1.00 0.00 O ATOM 1155 CB LYS A 77 -9.389 -8.690 -12.749 1.00 0.00 C ATOM 1156 CG LYS A 77 -9.281 -9.162 -11.292 1.00 0.00 C ATOM 1157 CD LYS A 77 -10.509 -10.003 -10.926 1.00 0.00 C ATOM 1158 CE LYS A 77 -10.363 -10.558 -9.501 1.00 0.00 C ATOM 1159 NZ LYS A 77 -10.318 -9.436 -8.520 1.00 0.00 N ATOM 1160 OXT LYS A 77 -8.358 -8.545 -15.372 1.00 0.00 O ATOM 0 H LYS A 77 -9.091 -6.143 -12.369 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.255 -8.413 -12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.291 -8.093 -12.881 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.475 -9.550 -13.414 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.373 -9.750 -11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.206 -8.302 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.411 -9.394 -10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -10.622 -10.824 -11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.199 -11.219 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.454 -11.155 -9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.475 -9.807 -7.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.388 -8.973 -8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.060 -8.744 -8.749 1.00 0.00 H new TER 1174 LYS A 77 ATOM 1175 N GLY B 45 -17.090 10.934 -6.641 1.00 0.00 N ATOM 1176 CA GLY B 45 -16.911 9.881 -5.601 1.00 0.00 C ATOM 1177 C GLY B 45 -15.421 9.654 -5.359 1.00 0.00 C ATOM 1178 O GLY B 45 -14.589 10.008 -6.195 1.00 0.00 O ATOM 0 HA2 GLY B 45 -17.399 10.183 -4.674 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -17.384 8.953 -5.922 1.00 0.00 H new ATOM 1184 N THR B 46 -15.087 9.060 -4.215 1.00 0.00 N ATOM 1185 CA THR B 46 -13.687 8.791 -3.885 1.00 0.00 C ATOM 1186 C THR B 46 -13.205 7.528 -4.599 1.00 0.00 C ATOM 1187 O THR B 46 -14.006 6.756 -5.124 1.00 0.00 O ATOM 1188 CB THR B 46 -13.519 8.618 -2.371 1.00 0.00 C ATOM 1189 OG1 THR B 46 -14.518 7.733 -1.880 1.00 0.00 O ATOM 1190 CG2 THR B 46 -13.645 9.975 -1.673 1.00 0.00 C ATOM 0 H THR B 46 -15.757 8.758 -3.508 1.00 0.00 H new ATOM 0 HA THR B 46 -13.089 9.640 -4.217 1.00 0.00 H new ATOM 0 HB THR B 46 -12.533 8.202 -2.165 1.00 0.00 H new ATOM 0 HG1 THR B 46 -14.409 7.621 -0.912 1.00 0.00 H new ATOM 0 HG21 THR B 46 -13.525 9.844 -0.598 1.00 0.00 H new ATOM 0 HG22 THR B 46 -12.873 10.649 -2.045 1.00 0.00 H new ATOM 0 HG23 THR B 46 -14.627 10.400 -1.879 1.00 0.00 H new ATOM 1198 N GLY B 47 -11.885 7.325 -4.611 1.00 0.00 N ATOM 1199 CA GLY B 47 -11.286 6.151 -5.256 1.00 0.00 C ATOM 1200 C GLY B 47 -10.200 5.545 -4.368 1.00 0.00 C ATOM 1201 O GLY B 47 -9.007 5.670 -4.647 1.00 0.00 O ATOM 0 H GLY B 47 -11.210 7.958 -4.182 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -12.057 5.407 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -10.860 6.436 -6.218 1.00 0.00 H new ATOM 1205 N ALA B 48 -10.632 4.904 -3.287 1.00 0.00 N ATOM 1206 CA ALA B 48 -9.711 4.293 -2.333 1.00 0.00 C ATOM 1207 C ALA B 48 -8.816 3.235 -2.988 1.00 0.00 C ATOM 1208 O ALA B 48 -7.613 3.184 -2.725 1.00 0.00 O ATOM 1209 CB ALA B 48 -10.522 3.653 -1.204 1.00 0.00 C ATOM 0 H ALA B 48 -11.618 4.794 -3.048 1.00 0.00 H new ATOM 0 HA ALA B 48 -9.058 5.074 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -9.844 3.193 -0.485 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -11.117 4.418 -0.705 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.183 2.892 -1.618 1.00 0.00 H new ATOM 1215 N ALA B 49 -9.403 2.391 -3.834 1.00 0.00 N ATOM 1216 CA ALA B 49 -8.639 1.338 -4.504 1.00 0.00 C ATOM 1217 C ALA B 49 -7.566 1.933 -5.413 1.00 0.00 C ATOM 1218 O ALA B 49 -6.441 1.434 -5.475 1.00 0.00 O ATOM 1219 CB ALA B 49 -9.583 0.463 -5.330 1.00 0.00 C ATOM 0 H ALA B 49 -10.395 2.414 -4.071 1.00 0.00 H new ATOM 0 HA ALA B 49 -8.148 0.734 -3.742 1.00 0.00 H new ATOM 0 HB1 ALA B 49 -9.011 -0.320 -5.828 1.00 0.00 H new ATOM 0 HB2 ALA B 49 -10.326 0.009 -4.674 1.00 0.00 H new ATOM 0 HB3 ALA B 49 -10.086 1.076 -6.078 1.00 0.00 H new ATOM 1225 N LEU B 50 -7.921 3.004 -6.113 1.00 0.00 N ATOM 1226 CA LEU B 50 -6.987 3.671 -7.013 1.00 0.00 C ATOM 1227 C LEU B 50 -5.813 4.231 -6.227 1.00 0.00 C ATOM 1228 O LEU B 50 -4.668 4.163 -6.662 1.00 0.00 O ATOM 1229 CB LEU B 50 -7.712 4.809 -7.747 1.00 0.00 C ATOM 1230 CG LEU B 50 -8.534 4.238 -8.923 1.00 0.00 C ATOM 1231 CD1 LEU B 50 -9.724 5.159 -9.218 1.00 0.00 C ATOM 1232 CD2 LEU B 50 -7.656 4.145 -10.178 1.00 0.00 C ATOM 0 H LEU B 50 -8.848 3.429 -6.075 1.00 0.00 H new ATOM 0 HA LEU B 50 -6.611 2.950 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -8.369 5.338 -7.056 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -6.987 5.534 -8.117 1.00 0.00 H new ATOM 0 HG LEU B 50 -8.892 3.245 -8.652 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -10.301 4.753 -10.048 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -10.358 5.228 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -9.359 6.152 -9.481 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -8.243 3.741 -11.003 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -7.293 5.138 -10.442 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -6.808 3.489 -9.981 1.00 0.00 H new ATOM 1244 N SER B 51 -6.111 4.796 -5.067 1.00 0.00 N ATOM 1245 CA SER B 51 -5.074 5.369 -4.223 1.00 0.00 C ATOM 1246 C SER B 51 -4.072 4.295 -3.816 1.00 0.00 C ATOM 1247 O SER B 51 -2.858 4.502 -3.874 1.00 0.00 O ATOM 1248 CB SER B 51 -5.716 5.964 -2.971 1.00 0.00 C ATOM 1249 OG SER B 51 -6.575 7.031 -3.345 1.00 0.00 O ATOM 0 H SER B 51 -7.056 4.870 -4.690 1.00 0.00 H new ATOM 0 HA SER B 51 -4.552 6.148 -4.779 1.00 0.00 H new ATOM 0 HB2 SER B 51 -6.280 5.198 -2.438 1.00 0.00 H new ATOM 0 HB3 SER B 51 -4.945 6.324 -2.290 1.00 0.00 H new ATOM 0 HG SER B 51 -7.372 6.670 -3.787 1.00 0.00 H new ATOM 1255 N TRP B 52 -4.597 3.146 -3.409 1.00 0.00 N ATOM 1256 CA TRP B 52 -3.754 2.037 -2.991 1.00 0.00 C ATOM 1257 C TRP B 52 -3.024 1.433 -4.194 1.00 0.00 C ATOM 1258 O TRP B 52 -1.808 1.256 -4.167 1.00 0.00 O ATOM 1259 CB TRP B 52 -4.628 0.966 -2.308 1.00 0.00 C ATOM 1260 CG TRP B 52 -4.752 1.246 -0.838 1.00 0.00 C ATOM 1261 CD1 TRP B 52 -5.916 1.457 -0.181 1.00 0.00 C ATOM 1262 CD2 TRP B 52 -3.696 1.345 0.164 1.00 0.00 C ATOM 1263 NE1 TRP B 52 -5.644 1.672 1.158 1.00 0.00 N ATOM 1264 CE2 TRP B 52 -4.289 1.611 1.420 1.00 0.00 C ATOM 1265 CE3 TRP B 52 -2.295 1.225 0.104 1.00 0.00 C ATOM 1266 CZ2 TRP B 52 -3.522 1.755 2.581 1.00 0.00 C ATOM 1267 CZ3 TRP B 52 -1.515 1.371 1.262 1.00 0.00 C ATOM 1268 CH2 TRP B 52 -2.123 1.632 2.501 1.00 0.00 C ATOM 0 H TRP B 52 -5.599 2.960 -3.360 1.00 0.00 H new ATOM 0 HA TRP B 52 -3.006 2.402 -2.287 1.00 0.00 H new ATOM 0 HB2 TRP B 52 -5.617 0.950 -2.766 1.00 0.00 H new ATOM 0 HB3 TRP B 52 -4.190 -0.020 -2.460 1.00 0.00 H new ATOM 0 HD1 TRP B 52 -6.898 1.457 -0.630 1.00 0.00 H new ATOM 0 HE1 TRP B 52 -6.356 1.853 1.865 1.00 0.00 H new ATOM 0 HE3 TRP B 52 -1.816 1.019 -0.842 1.00 0.00 H new ATOM 0 HZ2 TRP B 52 -3.999 1.958 3.528 1.00 0.00 H new ATOM 0 HZ3 TRP B 52 -0.440 1.282 1.200 1.00 0.00 H new ATOM 0 HH2 TRP B 52 -1.518 1.738 3.390 1.00 0.00 H new ATOM 1279 N GLN B 53 -3.776 1.113 -5.244 1.00 0.00 N ATOM 1280 CA GLN B 53 -3.189 0.517 -6.442 1.00 0.00 C ATOM 1281 C GLN B 53 -2.212 1.475 -7.121 1.00 0.00 C ATOM 1282 O GLN B 53 -1.113 1.079 -7.510 1.00 0.00 O ATOM 1283 CB GLN B 53 -4.301 0.132 -7.423 1.00 0.00 C ATOM 1284 CG GLN B 53 -5.086 -1.059 -6.865 1.00 0.00 C ATOM 1285 CD GLN B 53 -6.209 -1.446 -7.825 1.00 0.00 C ATOM 1286 OE1 GLN B 53 -5.983 -1.572 -9.029 1.00 0.00 O ATOM 1287 NE2 GLN B 53 -7.414 -1.645 -7.359 1.00 0.00 N ATOM 0 H GLN B 53 -4.785 1.255 -5.291 1.00 0.00 H new ATOM 0 HA GLN B 53 -2.635 -0.372 -6.141 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -4.969 0.979 -7.582 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -3.873 -0.123 -8.392 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -4.417 -1.907 -6.715 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -5.502 -0.805 -5.890 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -7.599 -1.540 -6.361 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.169 -1.905 -7.993 1.00 0.00 H new ATOM 1296 N ALA B 54 -2.615 2.732 -7.267 1.00 0.00 N ATOM 1297 CA ALA B 54 -1.761 3.730 -7.912 1.00 0.00 C ATOM 1298 C ALA B 54 -0.454 3.915 -7.140 1.00 0.00 C ATOM 1299 O ALA B 54 0.611 4.061 -7.739 1.00 0.00 O ATOM 1300 CB ALA B 54 -2.498 5.070 -7.998 1.00 0.00 C ATOM 0 H ALA B 54 -3.519 3.085 -6.952 1.00 0.00 H new ATOM 0 HA ALA B 54 -1.524 3.376 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA B 54 -1.856 5.808 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA B 54 -3.410 4.947 -8.582 1.00 0.00 H new ATOM 0 HB3 ALA B 54 -2.753 5.410 -6.994 1.00 0.00 H new ATOM 1306 N ALA B 55 -0.541 3.915 -5.813 1.00 0.00 N ATOM 1307 CA ALA B 55 0.647 4.087 -4.981 1.00 0.00 C ATOM 1308 C ALA B 55 1.610 2.912 -5.155 1.00 0.00 C ATOM 1309 O ALA B 55 2.825 3.099 -5.246 1.00 0.00 O ATOM 1310 CB ALA B 55 0.234 4.196 -3.514 1.00 0.00 C ATOM 0 H ALA B 55 -1.412 3.799 -5.294 1.00 0.00 H new ATOM 0 HA ALA B 55 1.156 5.000 -5.291 1.00 0.00 H new ATOM 0 HB1 ALA B 55 1.122 4.324 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -0.426 5.054 -3.385 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -0.289 3.288 -3.215 1.00 0.00 H new ATOM 1316 N ILE B 56 1.057 1.706 -5.203 1.00 0.00 N ATOM 1317 CA ILE B 56 1.865 0.500 -5.370 1.00 0.00 C ATOM 1318 C ILE B 56 2.560 0.501 -6.729 1.00 0.00 C ATOM 1319 O ILE B 56 3.736 0.156 -6.839 1.00 0.00 O ATOM 1320 CB ILE B 56 0.971 -0.739 -5.239 1.00 0.00 C ATOM 1321 CG1 ILE B 56 0.478 -0.855 -3.794 1.00 0.00 C ATOM 1322 CG2 ILE B 56 1.763 -1.998 -5.607 1.00 0.00 C ATOM 1323 CD1 ILE B 56 -0.639 -1.898 -3.715 1.00 0.00 C ATOM 0 H ILE B 56 0.054 1.535 -5.129 1.00 0.00 H new ATOM 0 HA ILE B 56 2.630 0.480 -4.594 1.00 0.00 H new ATOM 0 HB ILE B 56 0.121 -0.641 -5.914 1.00 0.00 H new ATOM 0 HG12 ILE B 56 1.302 -1.140 -3.140 1.00 0.00 H new ATOM 0 HG13 ILE B 56 0.113 0.111 -3.445 1.00 0.00 H new ATOM 0 HG21 ILE B 56 1.120 -2.873 -5.511 1.00 0.00 H new ATOM 0 HG22 ILE B 56 2.116 -1.918 -6.635 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.617 -2.100 -4.937 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -0.989 -1.979 -2.686 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -1.466 -1.594 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE B 56 -0.259 -2.864 -4.046 1.00 0.00 H new ATOM 1335 N ASP B 57 1.816 0.877 -7.762 1.00 0.00 N ATOM 1336 CA ASP B 57 2.356 0.906 -9.115 1.00 0.00 C ATOM 1337 C ASP B 57 3.533 1.873 -9.208 1.00 0.00 C ATOM 1338 O ASP B 57 4.573 1.546 -9.783 1.00 0.00 O ATOM 1339 CB ASP B 57 1.259 1.333 -10.092 1.00 0.00 C ATOM 1340 CG ASP B 57 0.243 0.208 -10.261 1.00 0.00 C ATOM 1341 OD1 ASP B 57 0.523 -0.889 -9.806 1.00 0.00 O ATOM 1342 OD2 ASP B 57 -0.801 0.460 -10.839 1.00 0.00 O ATOM 0 H ASP B 57 0.840 1.165 -7.689 1.00 0.00 H new ATOM 0 HA ASP B 57 2.710 -0.093 -9.371 1.00 0.00 H new ATOM 0 HB2 ASP B 57 0.762 2.230 -9.724 1.00 0.00 H new ATOM 0 HB3 ASP B 57 1.698 1.585 -11.057 1.00 0.00 H new ATOM 1347 N ALA B 58 3.368 3.060 -8.637 1.00 0.00 N ATOM 1348 CA ALA B 58 4.428 4.060 -8.661 1.00 0.00 C ATOM 1349 C ALA B 58 5.627 3.588 -7.840 1.00 0.00 C ATOM 1350 O ALA B 58 6.777 3.802 -8.223 1.00 0.00 O ATOM 1351 CB ALA B 58 3.902 5.386 -8.108 1.00 0.00 C ATOM 0 H ALA B 58 2.518 3.352 -8.155 1.00 0.00 H new ATOM 0 HA ALA B 58 4.751 4.205 -9.692 1.00 0.00 H new ATOM 0 HB1 ALA B 58 4.698 6.130 -8.128 1.00 0.00 H new ATOM 0 HB2 ALA B 58 3.068 5.730 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA B 58 3.564 5.244 -7.081 1.00 0.00 H new ATOM 1357 N ALA B 59 5.350 2.940 -6.712 1.00 0.00 N ATOM 1358 CA ALA B 59 6.416 2.438 -5.850 1.00 0.00 C ATOM 1359 C ALA B 59 7.218 1.370 -6.582 1.00 0.00 C ATOM 1360 O ALA B 59 8.445 1.313 -6.480 1.00 0.00 O ATOM 1361 CB ALA B 59 5.816 1.848 -4.571 1.00 0.00 C ATOM 0 H ALA B 59 4.406 2.751 -6.376 1.00 0.00 H new ATOM 0 HA ALA B 59 7.078 3.264 -5.588 1.00 0.00 H new ATOM 0 HB1 ALA B 59 6.616 1.475 -3.932 1.00 0.00 H new ATOM 0 HB2 ALA B 59 5.258 2.620 -4.041 1.00 0.00 H new ATOM 0 HB3 ALA B 59 5.145 1.028 -4.828 1.00 0.00 H new ATOM 1367 N ARG B 60 6.514 0.529 -7.326 1.00 0.00 N ATOM 1368 CA ARG B 60 7.151 -0.537 -8.081 1.00 0.00 C ATOM 1369 C ARG B 60 8.084 0.040 -9.142 1.00 0.00 C ATOM 1370 O ARG B 60 9.206 -0.436 -9.319 1.00 0.00 O ATOM 1371 CB ARG B 60 6.082 -1.397 -8.756 1.00 0.00 C ATOM 1372 CG ARG B 60 6.704 -2.708 -9.264 1.00 0.00 C ATOM 1373 CD ARG B 60 6.694 -3.767 -8.159 1.00 0.00 C ATOM 1374 NE ARG B 60 7.335 -4.976 -8.646 1.00 0.00 N ATOM 1375 CZ ARG B 60 7.599 -5.997 -7.842 1.00 0.00 C ATOM 1376 NH1 ARG B 60 7.343 -5.919 -6.561 1.00 0.00 N ATOM 1377 NH2 ARG B 60 8.130 -7.076 -8.339 1.00 0.00 N ATOM 0 H ARG B 60 5.499 0.566 -7.422 1.00 0.00 H new ATOM 0 HA ARG B 60 7.737 -1.148 -7.394 1.00 0.00 H new ATOM 0 HB2 ARG B 60 5.280 -1.615 -8.050 1.00 0.00 H new ATOM 0 HB3 ARG B 60 5.636 -0.851 -9.587 1.00 0.00 H new ATOM 0 HG2 ARG B 60 6.148 -3.070 -10.129 1.00 0.00 H new ATOM 0 HG3 ARG B 60 7.727 -2.528 -9.595 1.00 0.00 H new ATOM 0 HD2 ARG B 60 7.216 -3.394 -7.278 1.00 0.00 H new ATOM 0 HD3 ARG B 60 5.670 -3.982 -7.855 1.00 0.00 H new ATOM 0 HE ARG B 60 7.589 -5.041 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG B 60 6.937 -5.068 -6.173 1.00 0.00 H new ATOM 0 HH12 ARG B 60 7.550 -6.710 -5.951 1.00 0.00 H new ATOM 0 HH21 ARG B 60 8.338 -7.129 -9.336 1.00 0.00 H new ATOM 0 HH22 ARG B 60 8.338 -7.868 -7.731 1.00 0.00 H new ATOM 1391 N GLN B 61 7.612 1.065 -9.848 1.00 0.00 N ATOM 1392 CA GLN B 61 8.418 1.693 -10.889 1.00 0.00 C ATOM 1393 C GLN B 61 9.687 2.274 -10.274 1.00 0.00 C ATOM 1394 O GLN B 61 10.770 2.183 -10.854 1.00 0.00 O ATOM 1395 CB GLN B 61 7.615 2.806 -11.573 1.00 0.00 C ATOM 1396 CG GLN B 61 8.404 3.373 -12.760 1.00 0.00 C ATOM 1397 CD GLN B 61 8.546 2.316 -13.850 1.00 0.00 C ATOM 1398 OE1 GLN B 61 7.596 1.586 -14.137 1.00 0.00 O ATOM 1399 NE2 GLN B 61 9.682 2.189 -14.480 1.00 0.00 N ATOM 0 H GLN B 61 6.686 1.474 -9.720 1.00 0.00 H new ATOM 0 HA GLN B 61 8.689 0.943 -11.633 1.00 0.00 H new ATOM 0 HB2 GLN B 61 6.657 2.415 -11.917 1.00 0.00 H new ATOM 0 HB3 GLN B 61 7.398 3.600 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN B 61 7.895 4.251 -13.158 1.00 0.00 H new ATOM 0 HG3 GLN B 61 9.390 3.699 -12.429 1.00 0.00 H new ATOM 0 HE21 GLN B 61 10.468 2.794 -14.242 1.00 0.00 H new ATOM 0 HE22 GLN B 61 9.784 1.485 -15.211 1.00 0.00 H new ATOM 1408 N ALA B 62 9.542 2.866 -9.094 1.00 0.00 N ATOM 1409 CA ALA B 62 10.679 3.456 -8.402 1.00 0.00 C ATOM 1410 C ALA B 62 11.727 2.390 -8.098 1.00 0.00 C ATOM 1411 O ALA B 62 12.917 2.585 -8.345 1.00 0.00 O ATOM 1412 CB ALA B 62 10.213 4.104 -7.096 1.00 0.00 C ATOM 0 H ALA B 62 8.654 2.949 -8.600 1.00 0.00 H new ATOM 0 HA ALA B 62 11.123 4.215 -9.046 1.00 0.00 H new ATOM 0 HB1 ALA B 62 11.068 4.544 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA B 62 9.483 4.882 -7.316 1.00 0.00 H new ATOM 0 HB3 ALA B 62 9.756 3.348 -6.458 1.00 0.00 H new ATOM 1418 N LYS B 63 11.275 1.262 -7.563 1.00 0.00 N ATOM 1419 CA LYS B 63 12.181 0.172 -7.232 1.00 0.00 C ATOM 1420 C LYS B 63 12.821 -0.388 -8.499 1.00 0.00 C ATOM 1421 O LYS B 63 14.006 -0.724 -8.513 1.00 0.00 O ATOM 1422 CB LYS B 63 11.412 -0.944 -6.505 1.00 0.00 C ATOM 1423 CG LYS B 63 12.384 -2.024 -5.984 1.00 0.00 C ATOM 1424 CD LYS B 63 12.918 -1.624 -4.606 1.00 0.00 C ATOM 1425 CE LYS B 63 13.896 -2.690 -4.113 1.00 0.00 C ATOM 1426 NZ LYS B 63 13.164 -3.971 -3.913 1.00 0.00 N ATOM 0 H LYS B 63 10.294 1.080 -7.351 1.00 0.00 H new ATOM 0 HA LYS B 63 12.965 0.555 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS B 63 10.849 -0.522 -5.673 1.00 0.00 H new ATOM 0 HB3 LYS B 63 10.688 -1.395 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS B 63 11.874 -2.985 -5.921 1.00 0.00 H new ATOM 0 HG3 LYS B 63 13.212 -2.148 -6.682 1.00 0.00 H new ATOM 0 HD2 LYS B 63 13.416 -0.656 -4.663 1.00 0.00 H new ATOM 0 HD3 LYS B 63 12.094 -1.517 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS B 63 14.700 -2.826 -4.837 1.00 0.00 H new ATOM 0 HE3 LYS B 63 14.359 -2.372 -3.179 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 13.710 -4.587 -3.278 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 12.233 -3.777 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 13.037 -4.445 -4.830 1.00 0.00 H new ATOM 1440 N LEU B 64 12.022 -0.513 -9.553 1.00 0.00 N ATOM 1441 CA LEU B 64 12.513 -1.063 -10.811 1.00 0.00 C ATOM 1442 C LEU B 64 13.622 -0.175 -11.386 1.00 0.00 C ATOM 1443 O LEU B 64 14.620 -0.669 -11.911 1.00 0.00 O ATOM 1444 CB LEU B 64 11.345 -1.176 -11.813 1.00 0.00 C ATOM 1445 CG LEU B 64 11.577 -2.353 -12.775 1.00 0.00 C ATOM 1446 CD1 LEU B 64 10.405 -2.450 -13.759 1.00 0.00 C ATOM 1447 CD2 LEU B 64 12.893 -2.159 -13.545 1.00 0.00 C ATOM 0 H LEU B 64 11.038 -0.243 -9.562 1.00 0.00 H new ATOM 0 HA LEU B 64 12.928 -2.054 -10.629 1.00 0.00 H new ATOM 0 HB2 LEU B 64 10.408 -1.317 -11.275 1.00 0.00 H new ATOM 0 HB3 LEU B 64 11.251 -0.249 -12.378 1.00 0.00 H new ATOM 0 HG LEU B 64 11.643 -3.276 -12.199 1.00 0.00 H new ATOM 0 HD11 LEU B 64 10.570 -3.284 -14.441 1.00 0.00 H new ATOM 0 HD12 LEU B 64 9.479 -2.610 -13.207 1.00 0.00 H new ATOM 0 HD13 LEU B 64 10.332 -1.524 -14.330 1.00 0.00 H new ATOM 0 HD21 LEU B 64 13.045 -2.999 -14.223 1.00 0.00 H new ATOM 0 HD22 LEU B 64 12.846 -1.234 -14.119 1.00 0.00 H new ATOM 0 HD23 LEU B 64 13.723 -2.106 -12.840 1.00 0.00 H new ATOM 1459 N MET B 65 13.437 1.137 -11.290 1.00 0.00 N ATOM 1460 CA MET B 65 14.421 2.079 -11.817 1.00 0.00 C ATOM 1461 C MET B 65 15.743 1.968 -11.057 1.00 0.00 C ATOM 1462 O MET B 65 16.803 2.300 -11.588 1.00 0.00 O ATOM 1463 CB MET B 65 13.883 3.509 -11.713 1.00 0.00 C ATOM 1464 CG MET B 65 14.767 4.457 -12.526 1.00 0.00 C ATOM 1465 SD MET B 65 14.559 4.117 -14.292 1.00 0.00 S ATOM 1466 CE MET B 65 13.194 5.269 -14.587 1.00 0.00 C ATOM 0 H MET B 65 12.622 1.571 -10.856 1.00 0.00 H new ATOM 0 HA MET B 65 14.602 1.835 -12.864 1.00 0.00 H new ATOM 0 HB2 MET B 65 12.858 3.549 -12.080 1.00 0.00 H new ATOM 0 HB3 MET B 65 13.860 3.824 -10.670 1.00 0.00 H new ATOM 0 HG2 MET B 65 14.502 5.492 -12.311 1.00 0.00 H new ATOM 0 HG3 MET B 65 15.812 4.330 -12.242 1.00 0.00 H new ATOM 0 HE1 MET B 65 12.899 5.223 -15.635 1.00 0.00 H new ATOM 0 HE2 MET B 65 12.346 4.996 -13.959 1.00 0.00 H new ATOM 0 HE3 MET B 65 13.514 6.282 -14.344 1.00 0.00 H new ATOM 1476 N GLY B 66 15.678 1.482 -9.818 1.00 0.00 N ATOM 1477 CA GLY B 66 16.882 1.317 -9.002 1.00 0.00 C ATOM 1478 C GLY B 66 17.176 2.563 -8.170 1.00 0.00 C ATOM 1479 O GLY B 66 18.278 2.715 -7.641 1.00 0.00 O ATOM 0 H GLY B 66 14.812 1.197 -9.359 1.00 0.00 H new ATOM 0 HA2 GLY B 66 16.759 0.459 -8.341 1.00 0.00 H new ATOM 0 HA3 GLY B 66 17.733 1.102 -9.648 1.00 0.00 H new ATOM 1483 N SER B 67 16.192 3.448 -8.050 1.00 0.00 N ATOM 1484 CA SER B 67 16.374 4.671 -7.270 1.00 0.00 C ATOM 1485 C SER B 67 16.376 4.361 -5.775 1.00 0.00 C ATOM 1486 O SER B 67 15.928 3.294 -5.352 1.00 0.00 O ATOM 1487 CB SER B 67 15.255 5.665 -7.579 1.00 0.00 C ATOM 1488 OG SER B 67 14.000 5.014 -7.437 1.00 0.00 O ATOM 0 H SER B 67 15.271 3.346 -8.476 1.00 0.00 H new ATOM 0 HA SER B 67 17.334 5.108 -7.543 1.00 0.00 H new ATOM 0 HB2 SER B 67 15.314 6.519 -6.904 1.00 0.00 H new ATOM 0 HB3 SER B 67 15.365 6.052 -8.592 1.00 0.00 H new ATOM 0 HG SER B 67 13.279 5.648 -7.633 1.00 0.00 H new ATOM 1494 N ALA B 68 16.884 5.302 -4.983 1.00 0.00 N ATOM 1495 CA ALA B 68 16.943 5.130 -3.533 1.00 0.00 C ATOM 1496 C ALA B 68 15.664 5.644 -2.879 1.00 0.00 C ATOM 1497 O ALA B 68 15.640 5.738 -1.662 1.00 0.00 O ATOM 1498 CB ALA B 68 18.147 5.891 -2.972 1.00 0.00 C ATOM 1499 OXT ALA B 68 14.729 5.940 -3.604 1.00 0.00 O ATOM 0 H ALA B 68 17.260 6.189 -5.319 1.00 0.00 H new ATOM 0 HA ALA B 68 17.046 4.067 -3.313 1.00 0.00 H new ATOM 0 HB1 ALA B 68 18.188 5.761 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA B 68 19.063 5.504 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA B 68 18.049 6.951 -3.206 1.00 0.00 H new TER 1505 ALA B 68 HETATM 1506 CA CA A 101 4.433 1.956 11.454 1.00 0.00 CA HETATM 1507 CA CA A 102 -4.134 -2.405 12.475 1.00 0.00 CA