USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1013 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 81 ASN : amide:sc= 0 K(o=0.96,f=0.16) USER MOD Set 1.2: A 105 SER OG : rot -80:sc= 0.958 USER MOD Set 2.1: A 30 SER OG : rot 180:sc= 0.457 USER MOD Set 2.2: A 31 ASN : amide:sc= -0.0609 K(o=0.4,f=-1.6!) USER MOD Set 3.1: A 24 TYR OH : rot 180:sc= -0.0364 USER MOD Set 3.2: A 96 LYS NZ :NH3+ -131:sc= 0.0045 (180deg=0) USER MOD Single : A 1 MET CE :methyl 160:sc= -0.125 (180deg=-0.657) USER MOD Single : A 1 MET N :NH3+ 143:sc= 0.0203 (180deg=-0.0496) USER MOD Single : A 3 SER OG : rot 20:sc= 0.87 USER MOD Single : A 4 GLN : amide:sc= -1.1 K(o=-1.1,f=-5.4!) USER MOD Single : A 5 THR OG1 : rot -27:sc= 0.483 USER MOD Single : A 9 MET CE :methyl 169:sc= -0.414 (180deg=-0.752) USER MOD Single : A 10 THR OG1 : rot 73:sc= 1.35 USER MOD Single : A 12 GLN : amide:sc= 1.17 K(o=1.2,f=-0.46) USER MOD Single : A 13 MET CE :methyl -130:sc= -0.37 (180deg=-0.976) USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 1.28 (180deg=1.24) USER MOD Single : A 25 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.31) USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= 0.096 (180deg=-0.668!) USER MOD Single : A 29 ASN : amide:sc= 0.194 K(o=0.19,f=-4.6!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0186 X(o=-0.019,f=0) USER MOD Single : A 33 SER OG : rot 180:sc=0.000783 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0531 USER MOD Single : A 41 LYS NZ :NH3+ -140:sc= 0.869 (180deg=-1.36!) USER MOD Single : A 47 ASN : amide:sc= -1.03 K(o=-1,f=-0.17) USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= -0.095 (180deg=-0.32) USER MOD Single : A 68 LYS NZ :NH3+ -165:sc= 2.39 (180deg=1.88) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= 0.502 K(o=0.5,f=-1.7!) USER MOD Single : A 72 LYS NZ :NH3+ 141:sc= -0.574 (180deg=-2.9!) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.16) USER MOD Single : A 88 GLN : amide:sc= -1.88! C(o=-1.9!,f=-2.2!) USER MOD Single : A 89 SER OG : rot 75:sc= 1.27 USER MOD Single : A 90 TYR OH : rot 180:sc= 0.329 USER MOD Single : A 92 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.0073) USER MOD Single : A 93 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 95 HIS : no HD1:sc=-0.00745 X(o=-0.0075,f=-0.059) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= -0.0791 (180deg=-0.462) USER MOD Single : A 103 THR OG1 : rot 73:sc= 0.438 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 81:sc= 1.03 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot -33:sc= 0.922 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.692 12.853 -6.290 1.00 0.00 N ATOM 2 CA MET A 1 -13.268 12.556 -6.565 1.00 0.00 C ATOM 3 C MET A 1 -12.859 13.122 -7.917 1.00 0.00 C ATOM 4 O MET A 1 -13.653 13.135 -8.856 1.00 0.00 O ATOM 5 CB MET A 1 -13.018 11.042 -6.539 1.00 0.00 C ATOM 6 CG MET A 1 -13.721 10.281 -7.654 1.00 0.00 C ATOM 7 SD MET A 1 -13.446 8.499 -7.573 1.00 0.00 S ATOM 8 CE MET A 1 -14.216 8.109 -6.002 1.00 0.00 C ATOM 0 H1 MET A 1 -15.126 12.047 -5.797 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.761 13.702 -5.693 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.191 13.019 -7.187 1.00 0.00 H new ATOM 0 HA MET A 1 -12.666 13.026 -5.787 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.946 10.860 -6.608 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.347 10.646 -5.578 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.791 10.481 -7.604 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.372 10.654 -8.617 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.449 7.045 -5.965 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.533 8.359 -5.190 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.135 8.685 -5.894 1.00 0.00 H new ATOM 20 N LEU A 2 -11.625 13.599 -8.012 1.00 0.00 N ATOM 21 CA LEU A 2 -11.115 14.140 -9.266 1.00 0.00 C ATOM 22 C LEU A 2 -10.212 13.127 -9.961 1.00 0.00 C ATOM 23 O LEU A 2 -10.327 12.904 -11.166 1.00 0.00 O ATOM 24 CB LEU A 2 -10.347 15.443 -9.018 1.00 0.00 C ATOM 25 CG LEU A 2 -11.164 16.572 -8.381 1.00 0.00 C ATOM 26 CD1 LEU A 2 -10.295 17.804 -8.173 1.00 0.00 C ATOM 27 CD2 LEU A 2 -12.373 16.910 -9.242 1.00 0.00 C ATOM 0 H LEU A 2 -10.960 13.623 -7.239 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.966 14.352 -9.914 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -9.494 15.226 -8.375 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -9.948 15.797 -9.968 1.00 0.00 H new ATOM 0 HG LEU A 2 -11.521 16.233 -7.409 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -10.890 18.597 -7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -9.462 17.555 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -9.910 18.144 -9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.940 17.714 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -12.039 17.230 -10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -13.007 16.029 -9.341 1.00 0.00 H new ATOM 39 N SER A 3 -9.323 12.516 -9.178 1.00 0.00 N ATOM 40 CA SER A 3 -8.377 11.508 -9.660 1.00 0.00 C ATOM 41 C SER A 3 -7.619 11.984 -10.900 1.00 0.00 C ATOM 42 O SER A 3 -7.895 11.555 -12.021 1.00 0.00 O ATOM 43 CB SER A 3 -9.075 10.157 -9.911 1.00 0.00 C ATOM 44 OG SER A 3 -10.200 10.287 -10.765 1.00 0.00 O ATOM 0 H SER A 3 -9.238 12.709 -8.180 1.00 0.00 H new ATOM 0 HA SER A 3 -7.639 11.357 -8.872 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.364 9.459 -10.353 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.391 9.730 -8.959 1.00 0.00 H new ATOM 0 HG SER A 3 -10.127 11.119 -11.277 1.00 0.00 H new ATOM 50 N GLN A 4 -6.668 12.888 -10.688 1.00 0.00 N ATOM 51 CA GLN A 4 -5.864 13.416 -11.782 1.00 0.00 C ATOM 52 C GLN A 4 -4.893 12.350 -12.296 1.00 0.00 C ATOM 53 O GLN A 4 -4.947 11.962 -13.465 1.00 0.00 O ATOM 54 CB GLN A 4 -5.098 14.664 -11.324 1.00 0.00 C ATOM 55 CG GLN A 4 -4.454 15.451 -12.459 1.00 0.00 C ATOM 56 CD GLN A 4 -5.469 16.170 -13.337 1.00 0.00 C ATOM 57 OE1 GLN A 4 -6.601 15.714 -13.511 1.00 0.00 O ATOM 58 NE2 GLN A 4 -5.076 17.308 -13.886 1.00 0.00 N ATOM 0 H GLN A 4 -6.436 13.269 -9.771 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.529 13.697 -12.598 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -5.782 15.319 -10.785 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -4.323 14.363 -10.619 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.762 16.182 -12.040 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.865 14.772 -13.076 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -4.131 17.655 -13.720 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.718 17.838 -14.475 1.00 0.00 H new ATOM 67 N THR A 5 -4.003 11.879 -11.422 1.00 0.00 N ATOM 68 CA THR A 5 -3.059 10.822 -11.781 1.00 0.00 C ATOM 69 C THR A 5 -2.557 10.079 -10.535 1.00 0.00 C ATOM 70 O THR A 5 -2.937 8.936 -10.286 1.00 0.00 O ATOM 71 CB THR A 5 -1.843 11.382 -12.548 1.00 0.00 C ATOM 72 OG1 THR A 5 -2.273 12.282 -13.576 1.00 0.00 O ATOM 73 CG2 THR A 5 -1.044 10.252 -13.175 1.00 0.00 C ATOM 0 H THR A 5 -3.917 12.213 -10.462 1.00 0.00 H new ATOM 0 HA THR A 5 -3.599 10.129 -12.426 1.00 0.00 H new ATOM 0 HB THR A 5 -1.213 11.918 -11.838 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.178 12.041 -13.864 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.190 10.665 -13.712 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.691 9.579 -12.394 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.677 9.700 -13.870 1.00 0.00 H new ATOM 81 N LEU A 6 -1.725 10.755 -9.741 1.00 0.00 N ATOM 82 CA LEU A 6 -1.075 10.144 -8.577 1.00 0.00 C ATOM 83 C LEU A 6 -2.097 9.732 -7.515 1.00 0.00 C ATOM 84 O LEU A 6 -1.828 8.867 -6.682 1.00 0.00 O ATOM 85 CB LEU A 6 -0.052 11.120 -7.977 1.00 0.00 C ATOM 86 CG LEU A 6 0.819 10.556 -6.851 1.00 0.00 C ATOM 87 CD1 LEU A 6 1.649 9.386 -7.353 1.00 0.00 C ATOM 88 CD2 LEU A 6 1.721 11.642 -6.290 1.00 0.00 C ATOM 0 H LEU A 6 -1.483 11.735 -9.884 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.562 9.242 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.601 11.471 -8.776 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.587 11.991 -7.597 1.00 0.00 H new ATOM 0 HG LEU A 6 0.166 10.198 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.261 8.998 -6.539 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.987 8.599 -7.715 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.295 9.720 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.335 11.228 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.366 12.024 -7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.110 12.454 -5.895 1.00 0.00 H new ATOM 100 N LEU A 7 -3.276 10.340 -7.560 1.00 0.00 N ATOM 101 CA LEU A 7 -4.321 10.041 -6.592 1.00 0.00 C ATOM 102 C LEU A 7 -4.832 8.616 -6.798 1.00 0.00 C ATOM 103 O LEU A 7 -5.018 7.873 -5.839 1.00 0.00 O ATOM 104 CB LEU A 7 -5.463 11.057 -6.725 1.00 0.00 C ATOM 105 CG LEU A 7 -6.296 11.309 -5.460 1.00 0.00 C ATOM 106 CD1 LEU A 7 -7.163 10.114 -5.107 1.00 0.00 C ATOM 107 CD2 LEU A 7 -5.389 11.665 -4.293 1.00 0.00 C ATOM 0 H LEU A 7 -3.531 11.041 -8.255 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.911 10.115 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.040 12.007 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.133 10.718 -7.515 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.960 12.148 -5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.736 10.334 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.847 9.905 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.530 9.244 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.993 11.841 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.698 10.843 -4.106 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.825 12.566 -4.532 1.00 0.00 H new ATOM 119 N GLU A 8 -5.026 8.237 -8.060 1.00 0.00 N ATOM 120 CA GLU A 8 -5.491 6.899 -8.408 1.00 0.00 C ATOM 121 C GLU A 8 -4.500 5.848 -7.921 1.00 0.00 C ATOM 122 O GLU A 8 -4.889 4.819 -7.368 1.00 0.00 O ATOM 123 CB GLU A 8 -5.650 6.801 -9.926 1.00 0.00 C ATOM 124 CG GLU A 8 -6.213 5.479 -10.406 1.00 0.00 C ATOM 125 CD GLU A 8 -6.159 5.339 -11.914 1.00 0.00 C ATOM 126 OE1 GLU A 8 -6.935 6.027 -12.612 1.00 0.00 O ATOM 127 OE2 GLU A 8 -5.327 4.551 -12.413 1.00 0.00 O ATOM 0 H GLU A 8 -4.866 8.845 -8.863 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.451 6.717 -7.926 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.303 7.606 -10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.678 6.961 -10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.655 4.662 -9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.246 5.385 -10.072 1.00 0.00 H new ATOM 134 N MET A 9 -3.217 6.130 -8.125 1.00 0.00 N ATOM 135 CA MET A 9 -2.146 5.241 -7.678 1.00 0.00 C ATOM 136 C MET A 9 -2.242 4.986 -6.179 1.00 0.00 C ATOM 137 O MET A 9 -2.107 3.851 -5.717 1.00 0.00 O ATOM 138 CB MET A 9 -0.778 5.845 -8.015 1.00 0.00 C ATOM 139 CG MET A 9 -0.453 5.847 -9.499 1.00 0.00 C ATOM 140 SD MET A 9 1.079 6.730 -9.878 1.00 0.00 S ATOM 141 CE MET A 9 2.204 5.962 -8.719 1.00 0.00 C ATOM 0 H MET A 9 -2.891 6.972 -8.600 1.00 0.00 H new ATOM 0 HA MET A 9 -2.256 4.290 -8.200 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.743 6.869 -7.644 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.006 5.288 -7.485 1.00 0.00 H new ATOM 0 HG2 MET A 9 -0.371 4.818 -9.850 1.00 0.00 H new ATOM 0 HG3 MET A 9 -1.277 6.306 -10.046 1.00 0.00 H new ATOM 0 HE1 MET A 9 3.227 6.254 -8.957 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.961 6.285 -7.707 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.111 4.878 -8.786 1.00 0.00 H new ATOM 151 N THR A 10 -2.495 6.047 -5.429 1.00 0.00 N ATOM 152 CA THR A 10 -2.611 5.945 -3.986 1.00 0.00 C ATOM 153 C THR A 10 -3.898 5.221 -3.595 1.00 0.00 C ATOM 154 O THR A 10 -3.866 4.266 -2.818 1.00 0.00 O ATOM 155 CB THR A 10 -2.575 7.337 -3.329 1.00 0.00 C ATOM 156 OG1 THR A 10 -1.448 8.071 -3.822 1.00 0.00 O ATOM 157 CG2 THR A 10 -2.484 7.222 -1.813 1.00 0.00 C ATOM 0 H THR A 10 -2.624 6.989 -5.798 1.00 0.00 H new ATOM 0 HA THR A 10 -1.759 5.368 -3.627 1.00 0.00 H new ATOM 0 HB THR A 10 -3.497 7.861 -3.581 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.615 8.343 -4.748 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.460 8.219 -1.373 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.352 6.680 -1.436 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.575 6.684 -1.543 1.00 0.00 H new ATOM 165 N GLU A 11 -5.024 5.671 -4.151 1.00 0.00 N ATOM 166 CA GLU A 11 -6.321 5.057 -3.885 1.00 0.00 C ATOM 167 C GLU A 11 -6.326 3.561 -4.196 1.00 0.00 C ATOM 168 O GLU A 11 -6.976 2.778 -3.499 1.00 0.00 O ATOM 169 CB GLU A 11 -7.398 5.774 -4.693 1.00 0.00 C ATOM 170 CG GLU A 11 -7.927 7.013 -3.999 1.00 0.00 C ATOM 171 CD GLU A 11 -8.635 6.693 -2.696 1.00 0.00 C ATOM 172 OE1 GLU A 11 -9.667 5.989 -2.736 1.00 0.00 O ATOM 173 OE2 GLU A 11 -8.171 7.148 -1.633 1.00 0.00 O ATOM 0 H GLU A 11 -5.061 6.464 -4.792 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.530 5.160 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.991 6.054 -5.665 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.224 5.087 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.100 7.695 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.616 7.532 -4.665 1.00 0.00 H new ATOM 180 N GLN A 12 -5.613 3.167 -5.246 1.00 0.00 N ATOM 181 CA GLN A 12 -5.473 1.756 -5.579 1.00 0.00 C ATOM 182 C GLN A 12 -4.789 1.012 -4.438 1.00 0.00 C ATOM 183 O GLN A 12 -5.298 0.004 -3.949 1.00 0.00 O ATOM 184 CB GLN A 12 -4.674 1.578 -6.873 1.00 0.00 C ATOM 185 CG GLN A 12 -4.433 0.119 -7.241 1.00 0.00 C ATOM 186 CD GLN A 12 -3.603 -0.048 -8.502 1.00 0.00 C ATOM 187 OE1 GLN A 12 -3.659 0.776 -9.412 1.00 0.00 O ATOM 188 NE2 GLN A 12 -2.819 -1.115 -8.558 1.00 0.00 N ATOM 0 H GLN A 12 -5.126 3.802 -5.878 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.469 1.341 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.205 2.068 -7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.713 2.082 -6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.929 -0.380 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.393 -0.379 -7.377 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.801 -1.776 -7.781 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.234 -1.275 -9.378 1.00 0.00 H new ATOM 197 N MET A 13 -3.650 1.539 -4.002 1.00 0.00 N ATOM 198 CA MET A 13 -2.882 0.929 -2.922 1.00 0.00 C ATOM 199 C MET A 13 -3.706 0.871 -1.634 1.00 0.00 C ATOM 200 O MET A 13 -3.656 -0.117 -0.899 1.00 0.00 O ATOM 201 CB MET A 13 -1.583 1.709 -2.688 1.00 0.00 C ATOM 202 CG MET A 13 -0.706 1.126 -1.590 1.00 0.00 C ATOM 203 SD MET A 13 0.880 1.974 -1.437 1.00 0.00 S ATOM 204 CE MET A 13 1.591 1.664 -3.050 1.00 0.00 C ATOM 0 H MET A 13 -3.237 2.391 -4.382 1.00 0.00 H new ATOM 0 HA MET A 13 -2.632 -0.091 -3.214 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.015 1.737 -3.618 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.830 2.740 -2.434 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.236 1.183 -0.639 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.530 0.070 -1.794 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.603 1.277 -2.933 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.982 0.933 -3.581 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.621 2.593 -3.619 1.00 0.00 H new ATOM 214 N ILE A 14 -4.474 1.925 -1.380 1.00 0.00 N ATOM 215 CA ILE A 14 -5.321 1.989 -0.193 1.00 0.00 C ATOM 216 C ILE A 14 -6.376 0.888 -0.224 1.00 0.00 C ATOM 217 O ILE A 14 -6.545 0.151 0.749 1.00 0.00 O ATOM 218 CB ILE A 14 -6.025 3.364 -0.061 1.00 0.00 C ATOM 219 CG1 ILE A 14 -4.991 4.485 0.062 1.00 0.00 C ATOM 220 CG2 ILE A 14 -6.966 3.373 1.140 1.00 0.00 C ATOM 221 CD1 ILE A 14 -5.596 5.869 0.175 1.00 0.00 C ATOM 0 H ILE A 14 -4.528 2.748 -1.980 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.669 1.849 0.669 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.615 3.535 -0.961 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.370 4.298 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.334 4.456 -0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -7.450 4.347 1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -7.724 2.600 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.397 3.179 2.049 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -4.800 6.609 0.259 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.194 6.078 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.230 5.918 1.060 1.00 0.00 H new ATOM 233 N GLU A 15 -7.073 0.767 -1.351 1.00 0.00 N ATOM 234 CA GLU A 15 -8.145 -0.207 -1.471 1.00 0.00 C ATOM 235 C GLU A 15 -7.597 -1.629 -1.391 1.00 0.00 C ATOM 236 O GLU A 15 -8.208 -2.497 -0.773 1.00 0.00 O ATOM 237 CB GLU A 15 -8.919 -0.015 -2.776 1.00 0.00 C ATOM 238 CG GLU A 15 -10.184 -0.853 -2.840 1.00 0.00 C ATOM 239 CD GLU A 15 -10.902 -0.749 -4.167 1.00 0.00 C ATOM 240 OE1 GLU A 15 -11.734 0.166 -4.330 1.00 0.00 O ATOM 241 OE2 GLU A 15 -10.653 -1.600 -5.048 1.00 0.00 O ATOM 0 H GLU A 15 -6.913 1.329 -2.187 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.830 -0.049 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.180 1.037 -2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.275 -0.273 -3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.931 -1.896 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.859 -0.541 -2.043 1.00 0.00 H new ATOM 248 N VAL A 16 -6.441 -1.864 -2.009 1.00 0.00 N ATOM 249 CA VAL A 16 -5.816 -3.184 -1.977 1.00 0.00 C ATOM 250 C VAL A 16 -5.461 -3.581 -0.547 1.00 0.00 C ATOM 251 O VAL A 16 -5.688 -4.719 -0.142 1.00 0.00 O ATOM 252 CB VAL A 16 -4.550 -3.245 -2.867 1.00 0.00 C ATOM 253 CG1 VAL A 16 -3.840 -4.583 -2.718 1.00 0.00 C ATOM 254 CG2 VAL A 16 -4.911 -3.009 -4.325 1.00 0.00 C ATOM 0 H VAL A 16 -5.921 -1.162 -2.535 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.544 -3.891 -2.375 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.873 -2.457 -2.537 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.955 -4.598 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.543 -4.723 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.513 -5.387 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.009 -3.055 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.612 -3.776 -4.655 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.371 -2.027 -4.432 1.00 0.00 H new ATOM 264 N ALA A 17 -4.925 -2.637 0.218 1.00 0.00 N ATOM 265 CA ALA A 17 -4.590 -2.885 1.616 1.00 0.00 C ATOM 266 C ALA A 17 -5.846 -3.214 2.420 1.00 0.00 C ATOM 267 O ALA A 17 -5.871 -4.177 3.190 1.00 0.00 O ATOM 268 CB ALA A 17 -3.870 -1.683 2.209 1.00 0.00 C ATOM 0 H ALA A 17 -4.713 -1.693 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.922 -3.745 1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.627 -1.883 3.252 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.952 -1.497 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.515 -0.806 2.149 1.00 0.00 H new ATOM 274 N GLU A 18 -6.891 -2.422 2.217 1.00 0.00 N ATOM 275 CA GLU A 18 -8.170 -2.645 2.876 1.00 0.00 C ATOM 276 C GLU A 18 -8.753 -4.007 2.506 1.00 0.00 C ATOM 277 O GLU A 18 -9.194 -4.756 3.378 1.00 0.00 O ATOM 278 CB GLU A 18 -9.146 -1.530 2.504 1.00 0.00 C ATOM 279 CG GLU A 18 -9.200 -0.399 3.519 1.00 0.00 C ATOM 280 CD GLU A 18 -9.950 -0.795 4.777 1.00 0.00 C ATOM 281 OE1 GLU A 18 -9.359 -1.456 5.655 1.00 0.00 O ATOM 282 OE2 GLU A 18 -11.147 -0.449 4.886 1.00 0.00 O ATOM 0 H GLU A 18 -6.876 -1.613 1.596 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.007 -2.635 3.954 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.864 -1.122 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.144 -1.955 2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.185 -0.100 3.782 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.682 0.469 3.069 1.00 0.00 H new ATOM 289 N LYS A 19 -8.734 -4.327 1.215 1.00 0.00 N ATOM 290 CA LYS A 19 -9.253 -5.602 0.729 1.00 0.00 C ATOM 291 C LYS A 19 -8.375 -6.764 1.183 1.00 0.00 C ATOM 292 O LYS A 19 -8.860 -7.879 1.382 1.00 0.00 O ATOM 293 CB LYS A 19 -9.363 -5.588 -0.800 1.00 0.00 C ATOM 294 CG LYS A 19 -10.442 -4.648 -1.318 1.00 0.00 C ATOM 295 CD LYS A 19 -10.588 -4.713 -2.833 1.00 0.00 C ATOM 296 CE LYS A 19 -9.306 -4.309 -3.549 1.00 0.00 C ATOM 297 NZ LYS A 19 -9.538 -4.059 -4.997 1.00 0.00 N ATOM 0 H LYS A 19 -8.364 -3.719 0.485 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.247 -5.742 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.402 -5.295 -1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.572 -6.598 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.395 -4.901 -0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.203 -3.626 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.864 -5.726 -3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.400 -4.058 -3.147 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.898 -3.411 -3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.560 -5.095 -3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.646 -3.770 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.887 -4.929 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.243 -3.303 -5.110 1.00 0.00 H new ATOM 311 N GLY A 20 -7.084 -6.500 1.339 1.00 0.00 N ATOM 312 CA GLY A 20 -6.167 -7.511 1.826 1.00 0.00 C ATOM 313 C GLY A 20 -6.419 -7.844 3.281 1.00 0.00 C ATOM 314 O GLY A 20 -6.452 -9.018 3.662 1.00 0.00 O ATOM 0 H GLY A 20 -6.654 -5.598 1.135 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.268 -8.414 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.142 -7.160 1.706 1.00 0.00 H new ATOM 318 N ALA A 21 -6.604 -6.811 4.091 1.00 0.00 N ATOM 319 CA ALA A 21 -6.927 -6.992 5.500 1.00 0.00 C ATOM 320 C ALA A 21 -8.321 -7.582 5.651 1.00 0.00 C ATOM 321 O ALA A 21 -8.558 -8.425 6.510 1.00 0.00 O ATOM 322 CB ALA A 21 -6.830 -5.668 6.235 1.00 0.00 C ATOM 0 H ALA A 21 -6.536 -5.837 3.796 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.209 -7.686 5.937 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.074 -5.817 7.287 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.816 -5.278 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.531 -4.957 5.797 1.00 0.00 H new ATOM 328 N ASP A 22 -9.236 -7.132 4.799 1.00 0.00 N ATOM 329 CA ASP A 22 -10.594 -7.667 4.761 1.00 0.00 C ATOM 330 C ASP A 22 -10.567 -9.161 4.468 1.00 0.00 C ATOM 331 O ASP A 22 -11.304 -9.939 5.073 1.00 0.00 O ATOM 332 CB ASP A 22 -11.417 -6.936 3.697 1.00 0.00 C ATOM 333 CG ASP A 22 -12.803 -7.517 3.519 1.00 0.00 C ATOM 334 OD1 ASP A 22 -13.716 -7.135 4.278 1.00 0.00 O ATOM 335 OD2 ASP A 22 -12.993 -8.339 2.599 1.00 0.00 O ATOM 0 H ASP A 22 -9.060 -6.392 4.120 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.058 -7.512 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -11.502 -5.884 3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.887 -6.976 2.745 1.00 0.00 H new ATOM 340 N ARG A 23 -9.694 -9.548 3.546 1.00 0.00 N ATOM 341 CA ARG A 23 -9.489 -10.950 3.200 1.00 0.00 C ATOM 342 C ARG A 23 -9.042 -11.744 4.421 1.00 0.00 C ATOM 343 O ARG A 23 -9.570 -12.817 4.704 1.00 0.00 O ATOM 344 CB ARG A 23 -8.444 -11.057 2.089 1.00 0.00 C ATOM 345 CG ARG A 23 -8.043 -12.482 1.742 1.00 0.00 C ATOM 346 CD ARG A 23 -7.007 -12.507 0.630 1.00 0.00 C ATOM 347 NE ARG A 23 -5.845 -11.666 0.941 1.00 0.00 N ATOM 348 CZ ARG A 23 -4.953 -11.262 0.034 1.00 0.00 C ATOM 349 NH1 ARG A 23 -5.076 -11.635 -1.235 1.00 0.00 N ATOM 350 NH2 ARG A 23 -3.935 -10.485 0.399 1.00 0.00 N ATOM 0 H ARG A 23 -9.109 -8.901 3.018 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.432 -11.367 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.833 -10.573 1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.554 -10.504 2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.642 -12.975 2.627 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.924 -13.046 1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.678 -13.533 0.464 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.464 -12.165 -0.299 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.711 -11.373 1.909 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.853 -12.231 -1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.393 -11.325 -1.926 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.836 -10.198 1.373 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.254 -10.177 -0.295 1.00 0.00 H new ATOM 364 N TYR A 24 -8.072 -11.200 5.145 1.00 0.00 N ATOM 365 CA TYR A 24 -7.578 -11.835 6.360 1.00 0.00 C ATOM 366 C TYR A 24 -8.674 -11.881 7.422 1.00 0.00 C ATOM 367 O TYR A 24 -8.781 -12.850 8.176 1.00 0.00 O ATOM 368 CB TYR A 24 -6.354 -11.083 6.892 1.00 0.00 C ATOM 369 CG TYR A 24 -5.952 -11.491 8.293 1.00 0.00 C ATOM 370 CD1 TYR A 24 -5.264 -12.675 8.524 1.00 0.00 C ATOM 371 CD2 TYR A 24 -6.284 -10.700 9.386 1.00 0.00 C ATOM 372 CE1 TYR A 24 -4.915 -13.055 9.805 1.00 0.00 C ATOM 373 CE2 TYR A 24 -5.942 -11.075 10.667 1.00 0.00 C ATOM 374 CZ TYR A 24 -5.260 -12.252 10.872 1.00 0.00 C ATOM 375 OH TYR A 24 -4.928 -12.629 12.151 1.00 0.00 O ATOM 0 H TYR A 24 -7.612 -10.320 4.912 1.00 0.00 H new ATOM 0 HA TYR A 24 -7.284 -12.857 6.122 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.514 -11.252 6.219 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.562 -10.013 6.880 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.998 -13.308 7.690 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.819 -9.775 9.229 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.375 -13.976 9.970 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.208 -10.448 11.505 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.244 -11.951 12.784 1.00 0.00 H new ATOM 385 N GLN A 25 -9.478 -10.830 7.467 1.00 0.00 N ATOM 386 CA GLN A 25 -10.564 -10.732 8.435 1.00 0.00 C ATOM 387 C GLN A 25 -11.585 -11.830 8.163 1.00 0.00 C ATOM 388 O GLN A 25 -11.918 -12.613 9.051 1.00 0.00 O ATOM 389 CB GLN A 25 -11.219 -9.343 8.341 1.00 0.00 C ATOM 390 CG GLN A 25 -12.005 -8.900 9.576 1.00 0.00 C ATOM 391 CD GLN A 25 -13.321 -9.634 9.767 1.00 0.00 C ATOM 392 OE1 GLN A 25 -14.347 -9.244 9.210 1.00 0.00 O ATOM 393 NE2 GLN A 25 -13.312 -10.673 10.584 1.00 0.00 N ATOM 0 H GLN A 25 -9.400 -10.028 6.842 1.00 0.00 H new ATOM 0 HA GLN A 25 -10.172 -10.860 9.444 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.440 -8.606 8.144 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.890 -9.335 7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.386 -9.049 10.461 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.204 -7.831 9.503 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.441 -10.966 11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.176 -11.182 10.772 1.00 0.00 H new ATOM 402 N GLU A 26 -12.051 -11.891 6.921 1.00 0.00 N ATOM 403 CA GLU A 26 -13.012 -12.900 6.503 1.00 0.00 C ATOM 404 C GLU A 26 -12.412 -14.297 6.667 1.00 0.00 C ATOM 405 O GLU A 26 -13.043 -15.198 7.223 1.00 0.00 O ATOM 406 CB GLU A 26 -13.429 -12.627 5.050 1.00 0.00 C ATOM 407 CG GLU A 26 -14.588 -13.473 4.544 1.00 0.00 C ATOM 408 CD GLU A 26 -14.154 -14.840 4.064 1.00 0.00 C ATOM 409 OE1 GLU A 26 -13.342 -14.906 3.120 1.00 0.00 O ATOM 410 OE2 GLU A 26 -14.623 -15.854 4.626 1.00 0.00 O ATOM 0 H GLU A 26 -11.774 -11.246 6.181 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.902 -12.852 7.131 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.699 -11.575 4.957 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.568 -12.794 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.321 -13.590 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.085 -12.948 3.728 1.00 0.00 H new ATOM 417 N GLY A 27 -11.183 -14.467 6.196 1.00 0.00 N ATOM 418 CA GLY A 27 -10.476 -15.714 6.391 1.00 0.00 C ATOM 419 C GLY A 27 -10.507 -16.602 5.167 1.00 0.00 C ATOM 420 O GLY A 27 -9.456 -16.969 4.638 1.00 0.00 O ATOM 0 H GLY A 27 -10.662 -13.758 5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.440 -15.502 6.654 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.916 -16.248 7.233 1.00 0.00 H new ATOM 424 N LYS A 28 -11.717 -16.926 4.714 1.00 0.00 N ATOM 425 CA LYS A 28 -11.922 -17.841 3.594 1.00 0.00 C ATOM 426 C LYS A 28 -11.295 -19.204 3.886 1.00 0.00 C ATOM 427 O LYS A 28 -10.171 -19.502 3.474 1.00 0.00 O ATOM 428 CB LYS A 28 -11.374 -17.246 2.285 1.00 0.00 C ATOM 429 CG LYS A 28 -11.534 -18.152 1.072 1.00 0.00 C ATOM 430 CD LYS A 28 -12.994 -18.482 0.768 1.00 0.00 C ATOM 431 CE LYS A 28 -13.753 -17.287 0.204 1.00 0.00 C ATOM 432 NZ LYS A 28 -14.325 -16.414 1.264 1.00 0.00 N ATOM 0 H LYS A 28 -12.582 -16.561 5.113 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.995 -17.985 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -11.881 -16.301 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.316 -17.018 2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.087 -17.670 0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.985 -19.078 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.037 -19.306 0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.484 -18.823 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.082 -16.699 -0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -14.557 -17.644 -0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.183 -15.949 0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.565 -16.990 2.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.627 -15.692 1.533 1.00 0.00 H new ATOM 446 N ASN A 29 -12.032 -20.024 4.622 1.00 0.00 N ATOM 447 CA ASN A 29 -11.572 -21.358 4.970 1.00 0.00 C ATOM 448 C ASN A 29 -11.818 -22.314 3.810 1.00 0.00 C ATOM 449 O ASN A 29 -12.940 -22.434 3.313 1.00 0.00 O ATOM 450 CB ASN A 29 -12.253 -21.862 6.254 1.00 0.00 C ATOM 451 CG ASN A 29 -13.770 -21.935 6.160 1.00 0.00 C ATOM 452 OD1 ASN A 29 -14.413 -21.147 5.464 1.00 0.00 O ATOM 453 ND2 ASN A 29 -14.356 -22.879 6.877 1.00 0.00 N ATOM 0 H ASN A 29 -12.953 -19.787 4.990 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.500 -21.314 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.866 -22.852 6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.981 -21.204 7.080 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -15.372 -22.972 6.865 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.792 -23.514 7.442 1.00 0.00 H new ATOM 460 N SER A 30 -10.764 -22.983 3.373 1.00 0.00 N ATOM 461 CA SER A 30 -10.821 -23.816 2.183 1.00 0.00 C ATOM 462 C SER A 30 -9.528 -24.623 2.057 1.00 0.00 C ATOM 463 O SER A 30 -8.942 -25.026 3.064 1.00 0.00 O ATOM 464 CB SER A 30 -11.023 -22.917 0.950 1.00 0.00 C ATOM 465 OG SER A 30 -11.270 -23.677 -0.223 1.00 0.00 O ATOM 0 H SER A 30 -9.852 -22.965 3.829 1.00 0.00 H new ATOM 0 HA SER A 30 -11.656 -24.513 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.859 -22.240 1.127 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.138 -22.299 0.802 1.00 0.00 H new ATOM 0 HG SER A 30 -11.395 -23.073 -0.984 1.00 0.00 H new ATOM 471 N ASN A 31 -9.095 -24.861 0.820 1.00 0.00 N ATOM 472 CA ASN A 31 -7.834 -25.550 0.553 1.00 0.00 C ATOM 473 C ASN A 31 -6.678 -24.816 1.218 1.00 0.00 C ATOM 474 O ASN A 31 -5.690 -25.430 1.620 1.00 0.00 O ATOM 475 CB ASN A 31 -7.576 -25.656 -0.956 1.00 0.00 C ATOM 476 CG ASN A 31 -8.552 -26.573 -1.671 1.00 0.00 C ATOM 477 OD1 ASN A 31 -9.711 -26.714 -1.270 1.00 0.00 O ATOM 478 ND2 ASN A 31 -8.089 -27.206 -2.738 1.00 0.00 N ATOM 0 H ASN A 31 -9.604 -24.584 -0.019 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.908 -26.556 0.967 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.633 -24.661 -1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.561 -26.019 -1.119 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.697 -27.837 -3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.125 -27.063 -3.037 1.00 0.00 H new ATOM 485 N HIS A 32 -6.815 -23.487 1.310 1.00 0.00 N ATOM 486 CA HIS A 32 -5.874 -22.638 2.045 1.00 0.00 C ATOM 487 C HIS A 32 -4.496 -22.636 1.378 1.00 0.00 C ATOM 488 O HIS A 32 -3.501 -22.245 1.984 1.00 0.00 O ATOM 489 CB HIS A 32 -5.774 -23.126 3.497 1.00 0.00 C ATOM 490 CG HIS A 32 -5.382 -22.069 4.487 1.00 0.00 C ATOM 491 ND1 HIS A 32 -4.383 -22.246 5.417 1.00 0.00 N ATOM 492 CD2 HIS A 32 -5.898 -20.839 4.726 1.00 0.00 C ATOM 493 CE1 HIS A 32 -4.300 -21.177 6.183 1.00 0.00 C ATOM 494 NE2 HIS A 32 -5.209 -20.303 5.790 1.00 0.00 N ATOM 0 H HIS A 32 -7.581 -22.972 0.877 1.00 0.00 H new ATOM 0 HA HIS A 32 -6.244 -21.613 2.035 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.737 -23.543 3.793 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.047 -23.937 3.544 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.702 -20.366 4.182 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.604 -21.038 6.997 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -5.373 -19.386 6.205 1.00 0.00 H new ATOM 503 N SER A 33 -4.459 -23.045 0.115 1.00 0.00 N ATOM 504 CA SER A 33 -3.210 -23.172 -0.622 1.00 0.00 C ATOM 505 C SER A 33 -3.067 -22.080 -1.678 1.00 0.00 C ATOM 506 O SER A 33 -4.059 -21.533 -2.165 1.00 0.00 O ATOM 507 CB SER A 33 -3.147 -24.551 -1.278 1.00 0.00 C ATOM 508 OG SER A 33 -4.384 -24.874 -1.891 1.00 0.00 O ATOM 0 H SER A 33 -5.289 -23.296 -0.423 1.00 0.00 H new ATOM 0 HA SER A 33 -2.384 -23.059 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.351 -24.568 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.899 -25.304 -0.530 1.00 0.00 H new ATOM 0 HG SER A 33 -4.322 -25.759 -2.306 1.00 0.00 H new ATOM 514 N TYR A 34 -1.823 -21.772 -2.021 1.00 0.00 N ATOM 515 CA TYR A 34 -1.511 -20.776 -3.041 1.00 0.00 C ATOM 516 C TYR A 34 -0.281 -21.226 -3.816 1.00 0.00 C ATOM 517 O TYR A 34 -0.246 -21.178 -5.045 1.00 0.00 O ATOM 518 CB TYR A 34 -1.265 -19.398 -2.411 1.00 0.00 C ATOM 519 CG TYR A 34 -2.484 -18.799 -1.737 1.00 0.00 C ATOM 520 CD1 TYR A 34 -3.438 -18.104 -2.473 1.00 0.00 C ATOM 521 CD2 TYR A 34 -2.680 -18.927 -0.366 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.552 -17.557 -1.862 1.00 0.00 C ATOM 523 CE2 TYR A 34 -3.792 -18.384 0.251 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.723 -17.698 -0.501 1.00 0.00 C ATOM 525 OH TYR A 34 -5.829 -17.152 0.111 1.00 0.00 O ATOM 0 H TYR A 34 -1.001 -22.205 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.361 -20.685 -3.717 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -0.463 -19.484 -1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -0.918 -18.713 -3.185 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.307 -17.990 -3.539 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.951 -19.460 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.284 -17.022 -2.448 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.931 -18.496 1.316 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.799 -17.342 1.072 1.00 0.00 H new ATOM 535 N ASP A 35 0.739 -21.623 -3.058 1.00 0.00 N ATOM 536 CA ASP A 35 1.896 -22.351 -3.583 1.00 0.00 C ATOM 537 C ASP A 35 2.647 -21.601 -4.686 1.00 0.00 C ATOM 538 O ASP A 35 3.220 -22.213 -5.585 1.00 0.00 O ATOM 539 CB ASP A 35 1.460 -23.739 -4.051 1.00 0.00 C ATOM 540 CG ASP A 35 1.168 -24.656 -2.876 1.00 0.00 C ATOM 541 OD1 ASP A 35 0.211 -24.382 -2.116 1.00 0.00 O ATOM 542 OD2 ASP A 35 1.920 -25.635 -2.687 1.00 0.00 O ATOM 0 H ASP A 35 0.788 -21.448 -2.054 1.00 0.00 H new ATOM 0 HA ASP A 35 2.611 -22.447 -2.766 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.571 -23.651 -4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.242 -24.178 -4.671 1.00 0.00 H new ATOM 547 N PHE A 36 2.632 -20.272 -4.597 1.00 0.00 N ATOM 548 CA PHE A 36 3.549 -19.410 -5.351 1.00 0.00 C ATOM 549 C PHE A 36 3.294 -19.383 -6.861 1.00 0.00 C ATOM 550 O PHE A 36 4.116 -18.845 -7.603 1.00 0.00 O ATOM 551 CB PHE A 36 5.006 -19.822 -5.095 1.00 0.00 C ATOM 552 CG PHE A 36 5.459 -19.638 -3.674 1.00 0.00 C ATOM 553 CD1 PHE A 36 5.962 -18.420 -3.244 1.00 0.00 C ATOM 554 CD2 PHE A 36 5.393 -20.688 -2.771 1.00 0.00 C ATOM 555 CE1 PHE A 36 6.389 -18.253 -1.941 1.00 0.00 C ATOM 556 CE2 PHE A 36 5.818 -20.527 -1.468 1.00 0.00 C ATOM 557 CZ PHE A 36 6.316 -19.309 -1.052 1.00 0.00 C ATOM 0 H PHE A 36 1.984 -19.759 -4.000 1.00 0.00 H new ATOM 0 HA PHE A 36 3.360 -18.401 -4.984 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.129 -20.869 -5.371 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.656 -19.241 -5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.021 -17.592 -3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.004 -21.643 -3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.779 -17.299 -1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.761 -21.353 -0.775 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.648 -19.181 -0.032 1.00 0.00 H new ATOM 567 N PHE A 37 2.178 -19.927 -7.336 1.00 0.00 N ATOM 568 CA PHE A 37 1.902 -19.862 -8.769 1.00 0.00 C ATOM 569 C PHE A 37 0.407 -19.900 -9.077 1.00 0.00 C ATOM 570 O PHE A 37 -0.173 -20.961 -9.306 1.00 0.00 O ATOM 571 CB PHE A 37 2.633 -20.983 -9.515 1.00 0.00 C ATOM 572 CG PHE A 37 2.725 -20.748 -10.998 1.00 0.00 C ATOM 573 CD1 PHE A 37 3.562 -19.763 -11.503 1.00 0.00 C ATOM 574 CD2 PHE A 37 1.975 -21.502 -11.884 1.00 0.00 C ATOM 575 CE1 PHE A 37 3.647 -19.536 -12.863 1.00 0.00 C ATOM 576 CE2 PHE A 37 2.056 -21.279 -13.246 1.00 0.00 C ATOM 577 CZ PHE A 37 2.893 -20.295 -13.736 1.00 0.00 C ATOM 0 H PHE A 37 1.472 -20.402 -6.774 1.00 0.00 H new ATOM 0 HA PHE A 37 2.278 -18.901 -9.120 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.639 -21.086 -9.107 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.118 -21.926 -9.335 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.154 -19.167 -10.825 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.319 -22.273 -11.507 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.302 -18.766 -13.243 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.465 -21.874 -13.927 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.957 -20.120 -14.800 1.00 0.00 H new ATOM 587 N GLU A 38 -0.194 -18.717 -9.065 1.00 0.00 N ATOM 588 CA GLU A 38 -1.565 -18.510 -9.483 1.00 0.00 C ATOM 589 C GLU A 38 -1.890 -17.027 -9.381 1.00 0.00 C ATOM 590 O GLU A 38 -1.919 -16.315 -10.382 1.00 0.00 O ATOM 591 CB GLU A 38 -2.536 -19.321 -8.638 1.00 0.00 C ATOM 592 CG GLU A 38 -3.945 -19.312 -9.194 1.00 0.00 C ATOM 593 CD GLU A 38 -4.897 -20.215 -8.436 1.00 0.00 C ATOM 594 OE1 GLU A 38 -5.346 -19.827 -7.339 1.00 0.00 O ATOM 595 OE2 GLU A 38 -5.214 -21.312 -8.942 1.00 0.00 O ATOM 0 H GLU A 38 0.270 -17.862 -8.758 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.672 -18.848 -10.514 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.182 -20.350 -8.573 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.548 -18.923 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.329 -18.292 -9.173 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.917 -19.621 -10.239 1.00 0.00 H new ATOM 602 N THR A 39 -2.103 -16.565 -8.159 1.00 0.00 N ATOM 603 CA THR A 39 -2.286 -15.149 -7.896 1.00 0.00 C ATOM 604 C THR A 39 -0.950 -14.503 -7.542 1.00 0.00 C ATOM 605 O THR A 39 -0.775 -13.288 -7.662 1.00 0.00 O ATOM 606 CB THR A 39 -3.288 -14.936 -6.748 1.00 0.00 C ATOM 607 OG1 THR A 39 -3.076 -15.928 -5.735 1.00 0.00 O ATOM 608 CG2 THR A 39 -4.721 -15.008 -7.256 1.00 0.00 C ATOM 0 H THR A 39 -2.153 -17.156 -7.329 1.00 0.00 H new ATOM 0 HA THR A 39 -2.682 -14.681 -8.797 1.00 0.00 H new ATOM 0 HB THR A 39 -3.127 -13.944 -6.326 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.714 -15.790 -5.004 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.410 -14.854 -6.425 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.880 -14.234 -8.007 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.901 -15.987 -7.700 1.00 0.00 H new ATOM 616 N ILE A 40 0.005 -15.336 -7.138 1.00 0.00 N ATOM 617 CA ILE A 40 1.324 -14.868 -6.734 1.00 0.00 C ATOM 618 C ILE A 40 2.239 -14.703 -7.956 1.00 0.00 C ATOM 619 O ILE A 40 3.353 -15.219 -8.000 1.00 0.00 O ATOM 620 CB ILE A 40 1.966 -15.836 -5.710 1.00 0.00 C ATOM 621 CG1 ILE A 40 0.943 -16.209 -4.632 1.00 0.00 C ATOM 622 CG2 ILE A 40 3.197 -15.203 -5.065 1.00 0.00 C ATOM 623 CD1 ILE A 40 1.476 -17.154 -3.581 1.00 0.00 C ATOM 0 H ILE A 40 -0.114 -16.348 -7.082 1.00 0.00 H new ATOM 0 HA ILE A 40 1.202 -13.896 -6.257 1.00 0.00 H new ATOM 0 HB ILE A 40 2.279 -16.738 -6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.596 -15.298 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.076 -16.665 -5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.632 -15.900 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.932 -14.969 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.907 -14.287 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.692 -17.370 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.797 -18.082 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.324 -16.694 -3.074 1.00 0.00 H new ATOM 635 N LYS A 41 1.738 -13.996 -8.960 1.00 0.00 N ATOM 636 CA LYS A 41 2.535 -13.637 -10.129 1.00 0.00 C ATOM 637 C LYS A 41 2.140 -12.245 -10.652 1.00 0.00 C ATOM 638 O LYS A 41 2.994 -11.364 -10.728 1.00 0.00 O ATOM 639 CB LYS A 41 2.428 -14.705 -11.237 1.00 0.00 C ATOM 640 CG LYS A 41 3.113 -14.326 -12.549 1.00 0.00 C ATOM 641 CD LYS A 41 4.623 -14.184 -12.389 1.00 0.00 C ATOM 642 CE LYS A 41 5.322 -14.024 -13.737 1.00 0.00 C ATOM 643 NZ LYS A 41 4.983 -12.741 -14.413 1.00 0.00 N ATOM 0 H LYS A 41 0.776 -13.657 -8.989 1.00 0.00 H new ATOM 0 HA LYS A 41 3.580 -13.597 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.862 -15.635 -10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.374 -14.901 -11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.899 -15.085 -13.302 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.698 -13.387 -12.916 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.843 -13.321 -11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.018 -15.061 -11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.401 -14.079 -13.591 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.046 -14.855 -14.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.861 -12.907 -15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.100 -12.362 -14.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.751 -12.056 -14.263 1.00 0.00 H new ATOM 657 N PRO A 42 0.847 -11.995 -10.989 1.00 0.00 N ATOM 658 CA PRO A 42 0.431 -10.695 -11.520 1.00 0.00 C ATOM 659 C PRO A 42 0.433 -9.613 -10.445 1.00 0.00 C ATOM 660 O PRO A 42 0.807 -8.469 -10.700 1.00 0.00 O ATOM 661 CB PRO A 42 -1.002 -10.931 -12.028 1.00 0.00 C ATOM 662 CG PRO A 42 -1.223 -12.407 -11.955 1.00 0.00 C ATOM 663 CD PRO A 42 -0.299 -12.912 -10.887 1.00 0.00 C ATOM 0 HA PRO A 42 1.111 -10.346 -12.297 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.727 -10.396 -11.414 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -1.119 -10.568 -13.049 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -2.261 -12.634 -11.712 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -1.008 -12.881 -12.913 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.761 -12.874 -9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.006 -13.947 -11.062 1.00 0.00 H new ATOM 671 N ALA A 43 0.024 -9.993 -9.236 1.00 0.00 N ATOM 672 CA ALA A 43 -0.093 -9.051 -8.133 1.00 0.00 C ATOM 673 C ALA A 43 1.279 -8.614 -7.626 1.00 0.00 C ATOM 674 O ALA A 43 1.506 -7.431 -7.381 1.00 0.00 O ATOM 675 CB ALA A 43 -0.907 -9.663 -7.001 1.00 0.00 C ATOM 0 H ALA A 43 -0.232 -10.951 -8.998 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.609 -8.165 -8.502 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.987 -8.948 -6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.904 -9.912 -7.364 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.413 -10.568 -6.646 1.00 0.00 H new ATOM 681 N VAL A 44 2.191 -9.573 -7.496 1.00 0.00 N ATOM 682 CA VAL A 44 3.522 -9.300 -6.959 1.00 0.00 C ATOM 683 C VAL A 44 4.238 -8.237 -7.785 1.00 0.00 C ATOM 684 O VAL A 44 4.737 -7.249 -7.245 1.00 0.00 O ATOM 685 CB VAL A 44 4.387 -10.578 -6.912 1.00 0.00 C ATOM 686 CG1 VAL A 44 5.751 -10.284 -6.306 1.00 0.00 C ATOM 687 CG2 VAL A 44 3.685 -11.668 -6.119 1.00 0.00 C ATOM 0 H VAL A 44 2.033 -10.547 -7.755 1.00 0.00 H new ATOM 0 HA VAL A 44 3.385 -8.933 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 44 4.531 -10.927 -7.934 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.344 -11.199 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.263 -9.535 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.625 -9.908 -5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.309 -12.561 -6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.510 -11.322 -5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.731 -11.904 -6.591 1.00 0.00 H new ATOM 697 N GLU A 45 4.264 -8.437 -9.095 1.00 0.00 N ATOM 698 CA GLU A 45 4.915 -7.508 -10.002 1.00 0.00 C ATOM 699 C GLU A 45 4.216 -6.155 -9.985 1.00 0.00 C ATOM 700 O GLU A 45 4.863 -5.112 -9.910 1.00 0.00 O ATOM 701 CB GLU A 45 4.891 -8.084 -11.409 1.00 0.00 C ATOM 702 CG GLU A 45 5.582 -9.432 -11.525 1.00 0.00 C ATOM 703 CD GLU A 45 5.424 -10.042 -12.898 1.00 0.00 C ATOM 704 OE1 GLU A 45 4.325 -9.936 -13.475 1.00 0.00 O ATOM 705 OE2 GLU A 45 6.395 -10.636 -13.409 1.00 0.00 O ATOM 0 H GLU A 45 3.838 -9.242 -9.554 1.00 0.00 H new ATOM 0 HA GLU A 45 5.946 -7.363 -9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.855 -8.187 -11.733 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.370 -7.380 -12.089 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.642 -9.314 -11.302 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.173 -10.113 -10.778 1.00 0.00 H new ATOM 712 N GLU A 46 2.892 -6.198 -10.047 1.00 0.00 N ATOM 713 CA GLU A 46 2.066 -4.993 -10.041 1.00 0.00 C ATOM 714 C GLU A 46 2.396 -4.132 -8.834 1.00 0.00 C ATOM 715 O GLU A 46 2.823 -2.990 -8.968 1.00 0.00 O ATOM 716 CB GLU A 46 0.590 -5.388 -9.999 1.00 0.00 C ATOM 717 CG GLU A 46 -0.349 -4.442 -10.735 1.00 0.00 C ATOM 718 CD GLU A 46 -0.746 -3.225 -9.922 1.00 0.00 C ATOM 719 OE1 GLU A 46 -0.591 -3.248 -8.684 1.00 0.00 O ATOM 720 OE2 GLU A 46 -1.263 -2.258 -10.524 1.00 0.00 O ATOM 0 H GLU A 46 2.359 -7.066 -10.103 1.00 0.00 H new ATOM 0 HA GLU A 46 2.269 -4.421 -10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.484 -6.386 -10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.275 -5.451 -8.957 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.130 -4.112 -11.657 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.249 -4.987 -11.021 1.00 0.00 H new ATOM 727 N ASN A 47 2.226 -4.714 -7.659 1.00 0.00 N ATOM 728 CA ASN A 47 2.410 -3.988 -6.409 1.00 0.00 C ATOM 729 C ASN A 47 3.854 -3.518 -6.235 1.00 0.00 C ATOM 730 O ASN A 47 4.096 -2.431 -5.709 1.00 0.00 O ATOM 731 CB ASN A 47 1.993 -4.848 -5.211 1.00 0.00 C ATOM 732 CG ASN A 47 0.538 -5.296 -5.264 1.00 0.00 C ATOM 733 OD1 ASN A 47 0.172 -6.308 -4.672 1.00 0.00 O ATOM 734 ND2 ASN A 47 -0.299 -4.568 -5.996 1.00 0.00 N ATOM 0 H ASN A 47 1.960 -5.692 -7.542 1.00 0.00 H new ATOM 0 HA ASN A 47 1.770 -3.107 -6.453 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.635 -5.728 -5.164 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.158 -4.284 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.277 -4.845 -6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.037 -3.733 -6.475 1.00 0.00 H new ATOM 741 N ASP A 48 4.811 -4.331 -6.677 1.00 0.00 N ATOM 742 CA ASP A 48 6.226 -3.976 -6.560 1.00 0.00 C ATOM 743 C ASP A 48 6.549 -2.760 -7.424 1.00 0.00 C ATOM 744 O ASP A 48 7.150 -1.792 -6.952 1.00 0.00 O ATOM 745 CB ASP A 48 7.118 -5.153 -6.956 1.00 0.00 C ATOM 746 CG ASP A 48 8.589 -4.881 -6.704 1.00 0.00 C ATOM 747 OD1 ASP A 48 9.068 -5.172 -5.588 1.00 0.00 O ATOM 748 OD2 ASP A 48 9.280 -4.391 -7.619 1.00 0.00 O ATOM 0 H ASP A 48 4.636 -5.234 -7.117 1.00 0.00 H new ATOM 0 HA ASP A 48 6.424 -3.728 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.815 -6.038 -6.397 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.970 -5.377 -8.012 1.00 0.00 H new ATOM 753 N GLU A 49 6.134 -2.814 -8.689 1.00 0.00 N ATOM 754 CA GLU A 49 6.308 -1.689 -9.603 1.00 0.00 C ATOM 755 C GLU A 49 5.540 -0.473 -9.098 1.00 0.00 C ATOM 756 O GLU A 49 6.032 0.661 -9.141 1.00 0.00 O ATOM 757 CB GLU A 49 5.818 -2.063 -10.996 1.00 0.00 C ATOM 758 CG GLU A 49 6.614 -3.183 -11.632 1.00 0.00 C ATOM 759 CD GLU A 49 8.020 -2.776 -12.023 1.00 0.00 C ATOM 760 OE1 GLU A 49 8.179 -2.106 -13.065 1.00 0.00 O ATOM 761 OE2 GLU A 49 8.972 -3.146 -11.309 1.00 0.00 O ATOM 0 H GLU A 49 5.675 -3.625 -9.103 1.00 0.00 H new ATOM 0 HA GLU A 49 7.369 -1.444 -9.651 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.771 -2.359 -10.937 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.865 -1.183 -11.638 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.666 -4.021 -10.937 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.086 -3.536 -12.518 1.00 0.00 H new ATOM 768 N LEU A 50 4.331 -0.733 -8.613 1.00 0.00 N ATOM 769 CA LEU A 50 3.441 0.305 -8.108 1.00 0.00 C ATOM 770 C LEU A 50 4.086 1.056 -6.948 1.00 0.00 C ATOM 771 O LEU A 50 4.188 2.283 -6.972 1.00 0.00 O ATOM 772 CB LEU A 50 2.133 -0.326 -7.631 1.00 0.00 C ATOM 773 CG LEU A 50 0.903 0.578 -7.679 1.00 0.00 C ATOM 774 CD1 LEU A 50 0.366 0.657 -9.101 1.00 0.00 C ATOM 775 CD2 LEU A 50 -0.166 0.072 -6.724 1.00 0.00 C ATOM 0 H LEU A 50 3.940 -1.673 -8.559 1.00 0.00 H new ATOM 0 HA LEU A 50 3.243 1.009 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.935 -1.210 -8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.269 -0.668 -6.605 1.00 0.00 H new ATOM 0 HG LEU A 50 1.191 1.581 -7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.511 1.304 -9.123 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.134 1.064 -9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.089 -0.341 -9.441 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.035 0.728 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.458 -0.939 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.228 0.064 -5.708 1.00 0.00 H new ATOM 787 N ALA A 51 4.527 0.303 -5.945 1.00 0.00 N ATOM 788 CA ALA A 51 5.109 0.878 -4.739 1.00 0.00 C ATOM 789 C ALA A 51 6.351 1.696 -5.056 1.00 0.00 C ATOM 790 O ALA A 51 6.572 2.752 -4.466 1.00 0.00 O ATOM 791 CB ALA A 51 5.438 -0.221 -3.744 1.00 0.00 C ATOM 0 H ALA A 51 4.491 -0.716 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 51 4.374 1.551 -4.297 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.872 0.219 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.527 -0.758 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.151 -0.914 -4.190 1.00 0.00 H new ATOM 797 N ALA A 52 7.151 1.215 -6.000 1.00 0.00 N ATOM 798 CA ALA A 52 8.357 1.919 -6.409 1.00 0.00 C ATOM 799 C ALA A 52 8.013 3.297 -6.964 1.00 0.00 C ATOM 800 O ALA A 52 8.523 4.314 -6.491 1.00 0.00 O ATOM 801 CB ALA A 52 9.125 1.102 -7.436 1.00 0.00 C ATOM 0 H ALA A 52 6.985 0.339 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 52 8.991 2.055 -5.533 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.024 1.642 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.405 0.142 -7.002 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.497 0.935 -8.311 1.00 0.00 H new ATOM 807 N ARG A 53 7.117 3.330 -7.943 1.00 0.00 N ATOM 808 CA ARG A 53 6.718 4.577 -8.575 1.00 0.00 C ATOM 809 C ARG A 53 5.964 5.471 -7.598 1.00 0.00 C ATOM 810 O ARG A 53 6.062 6.693 -7.664 1.00 0.00 O ATOM 811 CB ARG A 53 5.848 4.281 -9.795 1.00 0.00 C ATOM 812 CG ARG A 53 6.403 4.842 -11.092 1.00 0.00 C ATOM 813 CD ARG A 53 6.337 6.364 -11.137 1.00 0.00 C ATOM 814 NE ARG A 53 4.956 6.855 -11.149 1.00 0.00 N ATOM 815 CZ ARG A 53 4.579 8.020 -11.685 1.00 0.00 C ATOM 816 NH1 ARG A 53 5.481 8.829 -12.235 1.00 0.00 N ATOM 817 NH2 ARG A 53 3.300 8.374 -11.666 1.00 0.00 N ATOM 0 H ARG A 53 6.652 2.502 -8.316 1.00 0.00 H new ATOM 0 HA ARG A 53 7.617 5.106 -8.890 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.734 3.202 -9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.852 4.692 -9.628 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.438 4.521 -11.211 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.844 4.431 -11.932 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.860 6.775 -10.274 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.857 6.723 -12.025 1.00 0.00 H new ATOM 0 HE ARG A 53 4.237 6.271 -10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.465 8.561 -12.249 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.188 9.717 -12.643 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.606 7.757 -11.243 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.011 9.263 -12.075 1.00 0.00 H new ATOM 831 N TRP A 54 5.208 4.855 -6.698 1.00 0.00 N ATOM 832 CA TRP A 54 4.463 5.602 -5.694 1.00 0.00 C ATOM 833 C TRP A 54 5.422 6.283 -4.725 1.00 0.00 C ATOM 834 O TRP A 54 5.268 7.463 -4.414 1.00 0.00 O ATOM 835 CB TRP A 54 3.499 4.687 -4.931 1.00 0.00 C ATOM 836 CG TRP A 54 2.604 5.432 -3.989 1.00 0.00 C ATOM 837 CD1 TRP A 54 1.471 6.123 -4.311 1.00 0.00 C ATOM 838 CD2 TRP A 54 2.775 5.578 -2.574 1.00 0.00 C ATOM 839 NE1 TRP A 54 0.924 6.684 -3.183 1.00 0.00 N ATOM 840 CE2 TRP A 54 1.704 6.362 -2.102 1.00 0.00 C ATOM 841 CE3 TRP A 54 3.726 5.118 -1.660 1.00 0.00 C ATOM 842 CZ2 TRP A 54 1.562 6.697 -0.758 1.00 0.00 C ATOM 843 CZ3 TRP A 54 3.583 5.449 -0.327 1.00 0.00 C ATOM 844 CH2 TRP A 54 2.508 6.230 0.114 1.00 0.00 C ATOM 0 H TRP A 54 5.095 3.843 -6.643 1.00 0.00 H new ATOM 0 HA TRP A 54 3.875 6.364 -6.205 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.887 4.137 -5.646 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.074 3.950 -4.370 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.064 6.215 -5.307 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.075 7.249 -3.154 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.558 4.514 -1.990 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.736 7.303 -0.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.313 5.099 0.388 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.423 6.469 1.164 1.00 0.00 H new ATOM 855 N ALA A 55 6.420 5.538 -4.266 1.00 0.00 N ATOM 856 CA ALA A 55 7.428 6.079 -3.365 1.00 0.00 C ATOM 857 C ALA A 55 8.171 7.228 -4.028 1.00 0.00 C ATOM 858 O ALA A 55 8.339 8.292 -3.437 1.00 0.00 O ATOM 859 CB ALA A 55 8.402 4.994 -2.936 1.00 0.00 C ATOM 0 H ALA A 55 6.552 4.555 -4.504 1.00 0.00 H new ATOM 0 HA ALA A 55 6.925 6.459 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.147 5.419 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.859 4.201 -2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.899 4.583 -3.815 1.00 0.00 H new ATOM 865 N GLU A 56 8.590 7.013 -5.272 1.00 0.00 N ATOM 866 CA GLU A 56 9.276 8.027 -6.044 1.00 0.00 C ATOM 867 C GLU A 56 8.402 9.264 -6.234 1.00 0.00 C ATOM 868 O GLU A 56 8.898 10.391 -6.230 1.00 0.00 O ATOM 869 CB GLU A 56 9.664 7.437 -7.395 1.00 0.00 C ATOM 870 CG GLU A 56 10.800 6.429 -7.314 1.00 0.00 C ATOM 871 CD GLU A 56 11.124 5.785 -8.650 1.00 0.00 C ATOM 872 OE1 GLU A 56 11.402 6.520 -9.618 1.00 0.00 O ATOM 873 OE2 GLU A 56 11.135 4.538 -8.725 1.00 0.00 O ATOM 0 H GLU A 56 8.461 6.130 -5.766 1.00 0.00 H new ATOM 0 HA GLU A 56 10.170 8.340 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.792 6.954 -7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.954 8.246 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.692 6.926 -6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.537 5.651 -6.597 1.00 0.00 H new ATOM 880 N GLY A 57 7.102 9.042 -6.394 1.00 0.00 N ATOM 881 CA GLY A 57 6.167 10.142 -6.550 1.00 0.00 C ATOM 882 C GLY A 57 5.958 10.909 -5.257 1.00 0.00 C ATOM 883 O GLY A 57 6.016 12.138 -5.240 1.00 0.00 O ATOM 0 H GLY A 57 6.677 8.115 -6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.535 10.822 -7.318 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.210 9.755 -6.899 1.00 0.00 H new ATOM 887 N ALA A 58 5.723 10.180 -4.174 1.00 0.00 N ATOM 888 CA ALA A 58 5.501 10.795 -2.871 1.00 0.00 C ATOM 889 C ALA A 58 6.733 11.570 -2.414 1.00 0.00 C ATOM 890 O ALA A 58 6.631 12.718 -1.980 1.00 0.00 O ATOM 891 CB ALA A 58 5.129 9.739 -1.840 1.00 0.00 C ATOM 0 H ALA A 58 5.681 9.161 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 58 4.673 11.498 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.967 10.216 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.216 9.232 -2.152 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.937 9.013 -1.755 1.00 0.00 H new ATOM 897 N LEU A 59 7.900 10.939 -2.530 1.00 0.00 N ATOM 898 CA LEU A 59 9.159 11.555 -2.150 1.00 0.00 C ATOM 899 C LEU A 59 9.434 12.807 -2.980 1.00 0.00 C ATOM 900 O LEU A 59 9.979 13.792 -2.480 1.00 0.00 O ATOM 901 CB LEU A 59 10.286 10.539 -2.318 1.00 0.00 C ATOM 902 CG LEU A 59 10.344 9.448 -1.243 1.00 0.00 C ATOM 903 CD1 LEU A 59 11.461 8.462 -1.543 1.00 0.00 C ATOM 904 CD2 LEU A 59 10.534 10.063 0.135 1.00 0.00 C ATOM 0 H LEU A 59 7.994 9.989 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 59 9.100 11.863 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 59 10.182 10.062 -3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 59 11.237 11.072 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 59 9.396 8.909 -1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.487 7.695 -0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 59 11.283 7.995 -2.512 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.415 8.988 -1.564 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.573 9.272 0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.466 10.628 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.700 10.730 0.354 1.00 0.00 H new ATOM 916 N GLU A 60 9.046 12.754 -4.246 1.00 0.00 N ATOM 917 CA GLU A 60 9.173 13.891 -5.155 1.00 0.00 C ATOM 918 C GLU A 60 8.443 15.116 -4.601 1.00 0.00 C ATOM 919 O GLU A 60 9.020 16.200 -4.485 1.00 0.00 O ATOM 920 CB GLU A 60 8.600 13.510 -6.527 1.00 0.00 C ATOM 921 CG GLU A 60 8.748 14.582 -7.597 1.00 0.00 C ATOM 922 CD GLU A 60 10.191 14.888 -7.929 1.00 0.00 C ATOM 923 OE1 GLU A 60 11.014 13.951 -7.974 1.00 0.00 O ATOM 924 OE2 GLU A 60 10.514 16.071 -8.154 1.00 0.00 O ATOM 0 H GLU A 60 8.635 11.925 -4.674 1.00 0.00 H new ATOM 0 HA GLU A 60 10.228 14.145 -5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.093 12.601 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.542 13.275 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.233 14.258 -8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.257 15.495 -7.260 1.00 0.00 H new ATOM 931 N LEU A 61 7.183 14.932 -4.234 1.00 0.00 N ATOM 932 CA LEU A 61 6.351 16.040 -3.778 1.00 0.00 C ATOM 933 C LEU A 61 6.833 16.613 -2.450 1.00 0.00 C ATOM 934 O LEU A 61 6.837 17.832 -2.270 1.00 0.00 O ATOM 935 CB LEU A 61 4.885 15.606 -3.656 1.00 0.00 C ATOM 936 CG LEU A 61 4.048 15.738 -4.933 1.00 0.00 C ATOM 937 CD1 LEU A 61 3.995 17.187 -5.391 1.00 0.00 C ATOM 938 CD2 LEU A 61 4.599 14.851 -6.039 1.00 0.00 C ATOM 0 H LEU A 61 6.713 14.027 -4.242 1.00 0.00 H new ATOM 0 HA LEU A 61 6.433 16.825 -4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.858 14.566 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.414 16.197 -2.871 1.00 0.00 H new ATOM 0 HG LEU A 61 3.034 15.409 -4.707 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.396 17.260 -6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.545 17.799 -4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.006 17.542 -5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.987 14.963 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.625 15.143 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.580 13.811 -5.715 1.00 0.00 H new ATOM 950 N ILE A 62 7.255 15.747 -1.531 1.00 0.00 N ATOM 951 CA ILE A 62 7.640 16.196 -0.193 1.00 0.00 C ATOM 952 C ILE A 62 8.983 16.932 -0.198 1.00 0.00 C ATOM 953 O ILE A 62 9.278 17.701 0.717 1.00 0.00 O ATOM 954 CB ILE A 62 7.697 15.033 0.825 1.00 0.00 C ATOM 955 CG1 ILE A 62 8.816 14.049 0.478 1.00 0.00 C ATOM 956 CG2 ILE A 62 6.356 14.316 0.884 1.00 0.00 C ATOM 957 CD1 ILE A 62 9.040 12.990 1.534 1.00 0.00 C ATOM 0 H ILE A 62 7.339 14.742 -1.684 1.00 0.00 H new ATOM 0 HA ILE A 62 6.859 16.890 0.119 1.00 0.00 H new ATOM 0 HB ILE A 62 7.914 15.454 1.807 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.580 13.562 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.743 14.603 0.329 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.411 13.500 1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.581 15.019 1.190 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.114 13.915 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.847 12.328 1.220 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.307 13.467 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.127 12.410 1.667 1.00 0.00 H new ATOM 969 N LYS A 63 9.817 16.680 -1.204 1.00 0.00 N ATOM 970 CA LYS A 63 11.062 17.426 -1.333 1.00 0.00 C ATOM 971 C LYS A 63 10.807 18.760 -2.036 1.00 0.00 C ATOM 972 O LYS A 63 11.570 19.714 -1.876 1.00 0.00 O ATOM 973 CB LYS A 63 12.152 16.594 -2.038 1.00 0.00 C ATOM 974 CG LYS A 63 11.891 16.291 -3.503 1.00 0.00 C ATOM 975 CD LYS A 63 12.514 17.336 -4.418 1.00 0.00 C ATOM 976 CE LYS A 63 12.200 17.059 -5.879 1.00 0.00 C ATOM 977 NZ LYS A 63 12.784 15.773 -6.349 1.00 0.00 N ATOM 0 H LYS A 63 9.657 15.979 -1.928 1.00 0.00 H new ATOM 0 HA LYS A 63 11.441 17.642 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.100 17.125 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.268 15.651 -1.504 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.293 15.308 -3.748 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.816 16.249 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.144 18.325 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 63 13.594 17.349 -4.274 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.119 17.037 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.583 17.875 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.691 15.707 -7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.790 15.733 -6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.279 14.980 -5.905 1.00 0.00 H new ATOM 991 N VAL A 64 9.724 18.827 -2.808 1.00 0.00 N ATOM 992 CA VAL A 64 9.331 20.074 -3.458 1.00 0.00 C ATOM 993 C VAL A 64 8.628 21.002 -2.467 1.00 0.00 C ATOM 994 O VAL A 64 9.094 22.111 -2.204 1.00 0.00 O ATOM 995 CB VAL A 64 8.408 19.828 -4.673 1.00 0.00 C ATOM 996 CG1 VAL A 64 7.918 21.146 -5.259 1.00 0.00 C ATOM 997 CG2 VAL A 64 9.130 19.022 -5.742 1.00 0.00 C ATOM 0 H VAL A 64 9.107 18.037 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 64 10.246 20.546 -3.815 1.00 0.00 H new ATOM 0 HB VAL A 64 7.545 19.259 -4.326 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.270 20.946 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.360 21.696 -4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.772 21.740 -5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.463 18.860 -6.588 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.013 19.568 -6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.433 18.060 -5.329 1.00 0.00 H new ATOM 1007 N ARG A 65 7.513 20.544 -1.912 1.00 0.00 N ATOM 1008 CA ARG A 65 6.755 21.341 -0.956 1.00 0.00 C ATOM 1009 C ARG A 65 6.878 20.747 0.436 1.00 0.00 C ATOM 1010 O ARG A 65 7.380 19.640 0.597 1.00 0.00 O ATOM 1011 CB ARG A 65 5.272 21.412 -1.333 1.00 0.00 C ATOM 1012 CG ARG A 65 4.994 22.072 -2.670 1.00 0.00 C ATOM 1013 CD ARG A 65 3.505 22.304 -2.852 1.00 0.00 C ATOM 1014 NE ARG A 65 3.195 22.933 -4.131 1.00 0.00 N ATOM 1015 CZ ARG A 65 2.810 24.202 -4.263 1.00 0.00 C ATOM 1016 NH1 ARG A 65 2.759 24.994 -3.199 1.00 0.00 N ATOM 1017 NH2 ARG A 65 2.484 24.677 -5.458 1.00 0.00 N ATOM 0 H ARG A 65 7.114 19.626 -2.107 1.00 0.00 H new ATOM 0 HA ARG A 65 7.170 22.349 -0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.866 20.401 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.738 21.957 -0.555 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.526 23.022 -2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.371 21.444 -3.477 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.980 21.351 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.136 22.932 -2.042 1.00 0.00 H new ATOM 0 HE ARG A 65 3.278 22.367 -4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.014 24.631 -2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.464 25.965 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.528 24.071 -6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.189 25.648 -5.558 1.00 0.00 H new ATOM 1031 N ARG A 66 6.433 21.489 1.438 1.00 0.00 N ATOM 1032 CA ARG A 66 6.401 20.980 2.802 1.00 0.00 C ATOM 1033 C ARG A 66 5.199 20.061 2.983 1.00 0.00 C ATOM 1034 O ARG A 66 4.054 20.495 2.830 1.00 0.00 O ATOM 1035 CB ARG A 66 6.332 22.129 3.811 1.00 0.00 C ATOM 1036 CG ARG A 66 7.475 23.119 3.692 1.00 0.00 C ATOM 1037 CD ARG A 66 7.359 24.219 4.734 1.00 0.00 C ATOM 1038 NE ARG A 66 8.382 25.247 4.562 1.00 0.00 N ATOM 1039 CZ ARG A 66 8.878 25.971 5.560 1.00 0.00 C ATOM 1040 NH1 ARG A 66 8.485 25.751 6.808 1.00 0.00 N ATOM 1041 NH2 ARG A 66 9.774 26.916 5.312 1.00 0.00 N ATOM 0 H ARG A 66 6.089 22.444 1.334 1.00 0.00 H new ATOM 0 HA ARG A 66 7.318 20.419 2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.389 22.660 3.679 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.326 21.715 4.819 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.425 22.598 3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.477 23.558 2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.372 24.676 4.670 1.00 0.00 H new ATOM 0 HD3 ARG A 66 7.445 23.785 5.730 1.00 0.00 H new ATOM 0 HE ARG A 66 8.736 25.419 3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.799 25.023 7.006 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.869 26.310 7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.083 27.088 4.355 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.155 27.472 6.078 1.00 0.00 H new ATOM 1055 N PRO A 67 5.445 18.781 3.298 1.00 0.00 N ATOM 1056 CA PRO A 67 4.383 17.782 3.457 1.00 0.00 C ATOM 1057 C PRO A 67 3.585 17.975 4.743 1.00 0.00 C ATOM 1058 O PRO A 67 4.061 18.594 5.699 1.00 0.00 O ATOM 1059 CB PRO A 67 5.150 16.461 3.501 1.00 0.00 C ATOM 1060 CG PRO A 67 6.495 16.819 4.033 1.00 0.00 C ATOM 1061 CD PRO A 67 6.785 18.204 3.524 1.00 0.00 C ATOM 0 HA PRO A 67 3.646 17.842 2.656 1.00 0.00 H new ATOM 0 HB2 PRO A 67 4.651 15.735 4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.223 16.013 2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.503 16.794 5.123 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.251 16.111 3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.355 18.786 4.249 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.370 18.179 2.605 1.00 0.00 H new ATOM 1069 N LYS A 68 2.373 17.443 4.769 1.00 0.00 N ATOM 1070 CA LYS A 68 1.523 17.553 5.945 1.00 0.00 C ATOM 1071 C LYS A 68 1.350 16.190 6.602 1.00 0.00 C ATOM 1072 O LYS A 68 0.858 15.251 5.973 1.00 0.00 O ATOM 1073 CB LYS A 68 0.141 18.136 5.595 1.00 0.00 C ATOM 1074 CG LYS A 68 0.182 19.503 4.920 1.00 0.00 C ATOM 1075 CD LYS A 68 0.456 19.372 3.432 1.00 0.00 C ATOM 1076 CE LYS A 68 0.853 20.692 2.802 1.00 0.00 C ATOM 1077 NZ LYS A 68 1.253 20.517 1.381 1.00 0.00 N ATOM 0 H LYS A 68 1.956 16.932 3.991 1.00 0.00 H new ATOM 0 HA LYS A 68 2.014 18.234 6.640 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.378 17.437 4.940 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.448 18.214 6.509 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.767 20.016 5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.955 20.117 5.382 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.251 18.643 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.434 18.987 2.933 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.019 21.391 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.679 21.131 3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.753 21.368 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.881 19.692 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.405 20.368 0.797 1.00 0.00 H new ATOM 1091 N TYR A 69 1.778 16.093 7.866 1.00 0.00 N ATOM 1092 CA TYR A 69 1.647 14.875 8.679 1.00 0.00 C ATOM 1093 C TYR A 69 2.613 13.776 8.225 1.00 0.00 C ATOM 1094 O TYR A 69 3.320 13.176 9.040 1.00 0.00 O ATOM 1095 CB TYR A 69 0.203 14.340 8.663 1.00 0.00 C ATOM 1096 CG TYR A 69 -0.843 15.364 9.050 1.00 0.00 C ATOM 1097 CD1 TYR A 69 -0.943 15.830 10.352 1.00 0.00 C ATOM 1098 CD2 TYR A 69 -1.733 15.864 8.106 1.00 0.00 C ATOM 1099 CE1 TYR A 69 -1.898 16.763 10.704 1.00 0.00 C ATOM 1100 CE2 TYR A 69 -2.691 16.797 8.451 1.00 0.00 C ATOM 1101 CZ TYR A 69 -2.767 17.244 9.751 1.00 0.00 C ATOM 1102 OH TYR A 69 -3.716 18.179 10.102 1.00 0.00 O ATOM 0 H TYR A 69 2.229 16.864 8.359 1.00 0.00 H new ATOM 0 HA TYR A 69 1.906 15.156 9.700 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.023 13.966 7.664 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.134 13.492 9.344 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.263 15.457 11.103 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.674 15.517 7.085 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.963 17.114 11.723 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.376 17.174 7.706 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.249 18.416 9.314 1.00 0.00 H new ATOM 1112 N VAL A 70 2.638 13.510 6.928 1.00 0.00 N ATOM 1113 CA VAL A 70 3.486 12.468 6.371 1.00 0.00 C ATOM 1114 C VAL A 70 4.960 12.861 6.445 1.00 0.00 C ATOM 1115 O VAL A 70 5.318 14.027 6.282 1.00 0.00 O ATOM 1116 CB VAL A 70 3.093 12.149 4.908 1.00 0.00 C ATOM 1117 CG1 VAL A 70 3.207 13.382 4.023 1.00 0.00 C ATOM 1118 CG2 VAL A 70 3.934 11.010 4.356 1.00 0.00 C ATOM 0 H VAL A 70 2.076 14.006 6.237 1.00 0.00 H new ATOM 0 HA VAL A 70 3.336 11.571 6.971 1.00 0.00 H new ATOM 0 HB VAL A 70 2.050 11.834 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 70 2.924 13.125 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.544 14.161 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.235 13.744 4.034 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.639 10.805 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.987 11.289 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.780 10.117 4.962 1.00 0.00 H new ATOM 1128 N HIS A 71 5.806 11.883 6.733 1.00 0.00 N ATOM 1129 CA HIS A 71 7.248 12.093 6.793 1.00 0.00 C ATOM 1130 C HIS A 71 7.939 11.069 5.899 1.00 0.00 C ATOM 1131 O HIS A 71 7.330 10.059 5.544 1.00 0.00 O ATOM 1132 CB HIS A 71 7.752 11.966 8.235 1.00 0.00 C ATOM 1133 CG HIS A 71 7.423 13.134 9.119 1.00 0.00 C ATOM 1134 ND1 HIS A 71 6.143 13.443 9.529 1.00 0.00 N ATOM 1135 CD2 HIS A 71 8.228 14.065 9.688 1.00 0.00 C ATOM 1136 CE1 HIS A 71 6.176 14.509 10.306 1.00 0.00 C ATOM 1137 NE2 HIS A 71 7.429 14.905 10.421 1.00 0.00 N ATOM 0 H HIS A 71 5.516 10.925 6.931 1.00 0.00 H new ATOM 0 HA HIS A 71 7.479 13.099 6.442 1.00 0.00 H new ATOM 0 HB2 HIS A 71 7.328 11.063 8.676 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.834 11.834 8.217 1.00 0.00 H new ATOM 0 HD1 HIS A 71 5.301 12.927 9.272 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.301 14.133 9.583 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.321 14.978 10.770 1.00 0.00 H new ATOM 1146 N LYS A 72 9.197 11.310 5.538 1.00 0.00 N ATOM 1147 CA LYS A 72 9.894 10.408 4.622 1.00 0.00 C ATOM 1148 C LYS A 72 10.074 9.026 5.243 1.00 0.00 C ATOM 1149 O LYS A 72 9.915 8.021 4.563 1.00 0.00 O ATOM 1150 CB LYS A 72 11.252 10.971 4.177 1.00 0.00 C ATOM 1151 CG LYS A 72 12.243 11.195 5.308 1.00 0.00 C ATOM 1152 CD LYS A 72 13.657 11.446 4.799 1.00 0.00 C ATOM 1153 CE LYS A 72 14.365 10.157 4.385 1.00 0.00 C ATOM 1154 NZ LYS A 72 13.964 9.673 3.033 1.00 0.00 N ATOM 0 H LYS A 72 9.747 12.107 5.858 1.00 0.00 H new ATOM 0 HA LYS A 72 9.267 10.315 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.695 10.287 3.453 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.088 11.918 3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.919 12.045 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.245 10.324 5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.618 12.125 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 72 14.237 11.942 5.577 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.442 10.321 4.400 1.00 0.00 H new ATOM 0 HE3 LYS A 72 14.151 9.381 5.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 14.798 9.298 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.252 8.921 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.562 10.462 2.487 1.00 0.00 H new ATOM 1168 N GLU A 73 10.373 8.983 6.542 1.00 0.00 N ATOM 1169 CA GLU A 73 10.573 7.714 7.245 1.00 0.00 C ATOM 1170 C GLU A 73 9.345 6.824 7.091 1.00 0.00 C ATOM 1171 O GLU A 73 9.450 5.599 6.995 1.00 0.00 O ATOM 1172 CB GLU A 73 10.836 7.938 8.738 1.00 0.00 C ATOM 1173 CG GLU A 73 11.819 9.056 9.043 1.00 0.00 C ATOM 1174 CD GLU A 73 11.138 10.398 9.198 1.00 0.00 C ATOM 1175 OE1 GLU A 73 10.715 10.728 10.325 1.00 0.00 O ATOM 1176 OE2 GLU A 73 11.018 11.129 8.192 1.00 0.00 O ATOM 0 H GLU A 73 10.482 9.811 7.128 1.00 0.00 H new ATOM 0 HA GLU A 73 11.443 7.230 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.890 8.158 9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.213 7.011 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.361 8.819 9.958 1.00 0.00 H new ATOM 0 HG3 GLU A 73 12.556 9.116 8.242 1.00 0.00 H new ATOM 1183 N GLN A 74 8.186 7.463 7.052 1.00 0.00 N ATOM 1184 CA GLN A 74 6.919 6.770 6.929 1.00 0.00 C ATOM 1185 C GLN A 74 6.794 6.132 5.550 1.00 0.00 C ATOM 1186 O GLN A 74 6.462 4.955 5.422 1.00 0.00 O ATOM 1187 CB GLN A 74 5.771 7.760 7.160 1.00 0.00 C ATOM 1188 CG GLN A 74 5.909 8.568 8.445 1.00 0.00 C ATOM 1189 CD GLN A 74 5.827 7.713 9.696 1.00 0.00 C ATOM 1190 OE1 GLN A 74 5.133 6.699 9.728 1.00 0.00 O ATOM 1191 NE2 GLN A 74 6.530 8.120 10.742 1.00 0.00 N ATOM 0 H GLN A 74 8.100 8.478 7.105 1.00 0.00 H new ATOM 0 HA GLN A 74 6.870 5.980 7.678 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.718 8.445 6.314 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.829 7.212 7.185 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.862 9.096 8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.126 9.325 8.477 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.095 8.967 10.679 1.00 0.00 H new ATOM 0 HE22 GLN A 74 6.507 7.587 11.611 1.00 0.00 H new ATOM 1200 N ILE A 75 7.095 6.917 4.525 1.00 0.00 N ATOM 1201 CA ILE A 75 6.977 6.469 3.141 1.00 0.00 C ATOM 1202 C ILE A 75 7.928 5.312 2.851 1.00 0.00 C ATOM 1203 O ILE A 75 7.563 4.357 2.161 1.00 0.00 O ATOM 1204 CB ILE A 75 7.266 7.631 2.163 1.00 0.00 C ATOM 1205 CG1 ILE A 75 6.335 8.810 2.456 1.00 0.00 C ATOM 1206 CG2 ILE A 75 7.112 7.174 0.718 1.00 0.00 C ATOM 1207 CD1 ILE A 75 6.622 10.044 1.625 1.00 0.00 C ATOM 0 H ILE A 75 7.426 7.877 4.626 1.00 0.00 H new ATOM 0 HA ILE A 75 5.953 6.124 2.997 1.00 0.00 H new ATOM 0 HB ILE A 75 8.297 7.955 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.305 8.498 2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.415 9.069 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.320 8.008 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.812 6.363 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.093 6.823 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.920 10.834 1.892 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.640 10.383 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.513 9.804 0.567 1.00 0.00 H new ATOM 1219 N GLU A 76 9.135 5.392 3.403 1.00 0.00 N ATOM 1220 CA GLU A 76 10.158 4.378 3.163 1.00 0.00 C ATOM 1221 C GLU A 76 9.681 3.012 3.653 1.00 0.00 C ATOM 1222 O GLU A 76 9.866 1.995 2.980 1.00 0.00 O ATOM 1223 CB GLU A 76 11.461 4.740 3.881 1.00 0.00 C ATOM 1224 CG GLU A 76 11.956 6.157 3.626 1.00 0.00 C ATOM 1225 CD GLU A 76 12.363 6.426 2.191 1.00 0.00 C ATOM 1226 OE1 GLU A 76 12.673 5.463 1.458 1.00 0.00 O ATOM 1227 OE2 GLU A 76 12.412 7.616 1.807 1.00 0.00 O ATOM 0 H GLU A 76 9.429 6.149 4.020 1.00 0.00 H new ATOM 0 HA GLU A 76 10.340 4.337 2.089 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.318 4.607 4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 76 12.236 4.038 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.171 6.860 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.808 6.354 4.276 1.00 0.00 H new ATOM 1234 N ALA A 77 9.057 3.003 4.825 1.00 0.00 N ATOM 1235 CA ALA A 77 8.594 1.771 5.442 1.00 0.00 C ATOM 1236 C ALA A 77 7.356 1.230 4.741 1.00 0.00 C ATOM 1237 O ALA A 77 7.287 0.045 4.416 1.00 0.00 O ATOM 1238 CB ALA A 77 8.306 1.996 6.918 1.00 0.00 C ATOM 0 H ALA A 77 8.860 3.843 5.369 1.00 0.00 H new ATOM 0 HA ALA A 77 9.387 1.029 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.960 1.065 7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.216 2.325 7.420 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.535 2.759 7.026 1.00 0.00 H new ATOM 1244 N VAL A 78 6.389 2.109 4.491 1.00 0.00 N ATOM 1245 CA VAL A 78 5.117 1.714 3.883 1.00 0.00 C ATOM 1246 C VAL A 78 5.326 0.967 2.566 1.00 0.00 C ATOM 1247 O VAL A 78 4.614 0.006 2.274 1.00 0.00 O ATOM 1248 CB VAL A 78 4.206 2.939 3.642 1.00 0.00 C ATOM 1249 CG1 VAL A 78 2.987 2.574 2.809 1.00 0.00 C ATOM 1250 CG2 VAL A 78 3.770 3.536 4.966 1.00 0.00 C ATOM 0 H VAL A 78 6.461 3.105 4.701 1.00 0.00 H new ATOM 0 HA VAL A 78 4.629 1.042 4.589 1.00 0.00 H new ATOM 0 HB VAL A 78 4.783 3.677 3.086 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.370 3.460 2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.309 2.189 1.841 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.407 1.811 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.129 4.398 4.783 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.219 2.789 5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.648 3.850 5.530 1.00 0.00 H new ATOM 1260 N LYS A 79 6.313 1.400 1.790 1.00 0.00 N ATOM 1261 CA LYS A 79 6.604 0.786 0.498 1.00 0.00 C ATOM 1262 C LYS A 79 6.868 -0.714 0.639 1.00 0.00 C ATOM 1263 O LYS A 79 6.230 -1.531 -0.028 1.00 0.00 O ATOM 1264 CB LYS A 79 7.808 1.488 -0.152 1.00 0.00 C ATOM 1265 CG LYS A 79 8.302 0.850 -1.449 1.00 0.00 C ATOM 1266 CD LYS A 79 9.373 -0.201 -1.184 1.00 0.00 C ATOM 1267 CE LYS A 79 9.732 -0.982 -2.438 1.00 0.00 C ATOM 1268 NZ LYS A 79 10.748 -2.034 -2.162 1.00 0.00 N ATOM 0 H LYS A 79 6.928 2.177 2.034 1.00 0.00 H new ATOM 0 HA LYS A 79 5.730 0.906 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.540 2.525 -0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.630 1.505 0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.463 0.392 -1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.703 1.622 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.267 0.284 -0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.021 -0.890 -0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.834 -1.443 -2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.114 -0.298 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.806 -2.682 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.675 -1.589 -2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.474 -2.567 -1.312 1.00 0.00 H new ATOM 1282 N ASP A 80 7.806 -1.074 1.507 1.00 0.00 N ATOM 1283 CA ASP A 80 8.188 -2.459 1.677 1.00 0.00 C ATOM 1284 C ASP A 80 7.173 -3.212 2.520 1.00 0.00 C ATOM 1285 O ASP A 80 6.910 -4.392 2.277 1.00 0.00 O ATOM 1286 CB ASP A 80 9.579 -2.540 2.291 1.00 0.00 C ATOM 1287 CG ASP A 80 10.657 -2.716 1.237 1.00 0.00 C ATOM 1288 OD1 ASP A 80 10.361 -3.296 0.170 1.00 0.00 O ATOM 1289 OD2 ASP A 80 11.801 -2.263 1.462 1.00 0.00 O ATOM 0 H ASP A 80 8.314 -0.420 2.103 1.00 0.00 H new ATOM 0 HA ASP A 80 8.210 -2.935 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.776 -1.633 2.863 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.618 -3.374 2.992 1.00 0.00 H new ATOM 1294 N ASN A 81 6.601 -2.524 3.504 1.00 0.00 N ATOM 1295 CA ASN A 81 5.545 -3.101 4.334 1.00 0.00 C ATOM 1296 C ASN A 81 4.393 -3.586 3.468 1.00 0.00 C ATOM 1297 O ASN A 81 3.863 -4.674 3.681 1.00 0.00 O ATOM 1298 CB ASN A 81 5.023 -2.078 5.355 1.00 0.00 C ATOM 1299 CG ASN A 81 5.919 -1.935 6.571 1.00 0.00 C ATOM 1300 OD1 ASN A 81 7.127 -2.150 6.501 1.00 0.00 O ATOM 1301 ND2 ASN A 81 5.332 -1.552 7.696 1.00 0.00 N ATOM 0 H ASN A 81 6.850 -1.565 3.747 1.00 0.00 H new ATOM 0 HA ASN A 81 5.972 -3.946 4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.924 -1.107 4.869 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.026 -2.375 5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.886 -1.426 8.543 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.326 -1.383 7.715 1.00 0.00 H new ATOM 1308 N PHE A 82 4.021 -2.777 2.480 1.00 0.00 N ATOM 1309 CA PHE A 82 2.931 -3.114 1.572 1.00 0.00 C ATOM 1310 C PHE A 82 3.224 -4.415 0.833 1.00 0.00 C ATOM 1311 O PHE A 82 2.371 -5.300 0.752 1.00 0.00 O ATOM 1312 CB PHE A 82 2.717 -1.984 0.563 1.00 0.00 C ATOM 1313 CG PHE A 82 1.521 -2.189 -0.324 1.00 0.00 C ATOM 1314 CD1 PHE A 82 0.239 -2.134 0.197 1.00 0.00 C ATOM 1315 CD2 PHE A 82 1.682 -2.447 -1.675 1.00 0.00 C ATOM 1316 CE1 PHE A 82 -0.861 -2.330 -0.613 1.00 0.00 C ATOM 1317 CE2 PHE A 82 0.584 -2.644 -2.492 1.00 0.00 C ATOM 1318 CZ PHE A 82 -0.689 -2.586 -1.960 1.00 0.00 C ATOM 0 H PHE A 82 4.462 -1.878 2.288 1.00 0.00 H new ATOM 0 HA PHE A 82 2.025 -3.246 2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.602 -1.044 1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.608 -1.889 -0.058 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.098 -1.935 1.249 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.676 -2.495 -2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.856 -2.283 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.722 -2.843 -3.545 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.549 -2.740 -2.595 1.00 0.00 H new ATOM 1328 N LEU A 83 4.440 -4.531 0.319 1.00 0.00 N ATOM 1329 CA LEU A 83 4.835 -5.694 -0.467 1.00 0.00 C ATOM 1330 C LEU A 83 4.855 -6.956 0.387 1.00 0.00 C ATOM 1331 O LEU A 83 4.299 -7.988 -0.001 1.00 0.00 O ATOM 1332 CB LEU A 83 6.210 -5.471 -1.095 1.00 0.00 C ATOM 1333 CG LEU A 83 6.291 -4.290 -2.061 1.00 0.00 C ATOM 1334 CD1 LEU A 83 7.696 -4.153 -2.621 1.00 0.00 C ATOM 1335 CD2 LEU A 83 5.283 -4.459 -3.186 1.00 0.00 C ATOM 0 H LEU A 83 5.174 -3.832 0.432 1.00 0.00 H new ATOM 0 HA LEU A 83 4.097 -5.827 -1.258 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.938 -5.320 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.502 -6.377 -1.626 1.00 0.00 H new ATOM 0 HG LEU A 83 6.051 -3.378 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.733 -3.307 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.399 -3.990 -1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.965 -5.064 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.352 -3.610 -3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.496 -5.379 -3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.277 -4.509 -2.769 1.00 0.00 H new ATOM 1347 N GLU A 84 5.485 -6.869 1.552 1.00 0.00 N ATOM 1348 CA GLU A 84 5.581 -8.013 2.444 1.00 0.00 C ATOM 1349 C GLU A 84 4.207 -8.396 2.981 1.00 0.00 C ATOM 1350 O GLU A 84 3.933 -9.573 3.201 1.00 0.00 O ATOM 1351 CB GLU A 84 6.555 -7.726 3.589 1.00 0.00 C ATOM 1352 CG GLU A 84 7.988 -7.528 3.117 1.00 0.00 C ATOM 1353 CD GLU A 84 8.978 -7.433 4.259 1.00 0.00 C ATOM 1354 OE1 GLU A 84 9.388 -8.492 4.785 1.00 0.00 O ATOM 1355 OE2 GLU A 84 9.356 -6.306 4.637 1.00 0.00 O ATOM 0 H GLU A 84 5.935 -6.021 1.898 1.00 0.00 H new ATOM 0 HA GLU A 84 5.968 -8.858 1.875 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.227 -6.833 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.524 -8.551 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.269 -8.357 2.468 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.045 -6.620 2.517 1.00 0.00 H new ATOM 1362 N LEU A 85 3.343 -7.399 3.162 1.00 0.00 N ATOM 1363 CA LEU A 85 1.972 -7.630 3.610 1.00 0.00 C ATOM 1364 C LEU A 85 1.257 -8.553 2.628 1.00 0.00 C ATOM 1365 O LEU A 85 0.678 -9.569 3.021 1.00 0.00 O ATOM 1366 CB LEU A 85 1.230 -6.285 3.722 1.00 0.00 C ATOM 1367 CG LEU A 85 -0.063 -6.278 4.551 1.00 0.00 C ATOM 1368 CD1 LEU A 85 -0.485 -4.847 4.836 1.00 0.00 C ATOM 1369 CD2 LEU A 85 -1.193 -7.014 3.843 1.00 0.00 C ATOM 0 H LEU A 85 3.571 -6.417 3.004 1.00 0.00 H new ATOM 0 HA LEU A 85 1.985 -8.106 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.914 -5.554 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.991 -5.943 2.715 1.00 0.00 H new ATOM 0 HG LEU A 85 0.141 -6.798 5.487 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.403 -4.849 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.302 -4.340 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.658 -4.324 3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.090 -6.986 4.462 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.398 -6.533 2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.902 -8.050 3.673 1.00 0.00 H new ATOM 1381 N VAL A 86 1.314 -8.202 1.348 1.00 0.00 N ATOM 1382 CA VAL A 86 0.685 -9.003 0.306 1.00 0.00 C ATOM 1383 C VAL A 86 1.263 -10.416 0.299 1.00 0.00 C ATOM 1384 O VAL A 86 0.524 -11.399 0.246 1.00 0.00 O ATOM 1385 CB VAL A 86 0.868 -8.362 -1.088 1.00 0.00 C ATOM 1386 CG1 VAL A 86 0.214 -9.208 -2.172 1.00 0.00 C ATOM 1387 CG2 VAL A 86 0.305 -6.952 -1.105 1.00 0.00 C ATOM 0 H VAL A 86 1.790 -7.367 1.007 1.00 0.00 H new ATOM 0 HA VAL A 86 -0.382 -9.048 0.526 1.00 0.00 H new ATOM 0 HB VAL A 86 1.937 -8.313 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.359 -8.732 -3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.667 -10.199 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.853 -9.299 -1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.443 -6.517 -2.095 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.758 -6.982 -0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.825 -6.343 -0.365 1.00 0.00 H new ATOM 1397 N LEU A 87 2.587 -10.502 0.387 1.00 0.00 N ATOM 1398 CA LEU A 87 3.290 -11.782 0.379 1.00 0.00 C ATOM 1399 C LEU A 87 2.851 -12.668 1.545 1.00 0.00 C ATOM 1400 O LEU A 87 2.422 -13.809 1.344 1.00 0.00 O ATOM 1401 CB LEU A 87 4.803 -11.550 0.444 1.00 0.00 C ATOM 1402 CG LEU A 87 5.666 -12.815 0.459 1.00 0.00 C ATOM 1403 CD1 LEU A 87 5.505 -13.588 -0.842 1.00 0.00 C ATOM 1404 CD2 LEU A 87 7.125 -12.453 0.695 1.00 0.00 C ATOM 0 H LEU A 87 3.201 -9.691 0.466 1.00 0.00 H new ATOM 0 HA LEU A 87 3.039 -12.295 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.096 -10.942 -0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.025 -10.969 1.339 1.00 0.00 H new ATOM 0 HG LEU A 87 5.333 -13.455 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.126 -14.483 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.461 -13.874 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.813 -12.961 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.728 -13.361 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.470 -11.795 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.223 -11.943 1.653 1.00 0.00 H new ATOM 1416 N GLN A 88 2.934 -12.130 2.760 1.00 0.00 N ATOM 1417 CA GLN A 88 2.641 -12.903 3.963 1.00 0.00 C ATOM 1418 C GLN A 88 1.164 -13.279 4.041 1.00 0.00 C ATOM 1419 O GLN A 88 0.795 -14.211 4.753 1.00 0.00 O ATOM 1420 CB GLN A 88 3.073 -12.141 5.221 1.00 0.00 C ATOM 1421 CG GLN A 88 2.315 -10.843 5.459 1.00 0.00 C ATOM 1422 CD GLN A 88 2.974 -9.965 6.507 1.00 0.00 C ATOM 1423 OE1 GLN A 88 2.307 -9.223 7.224 1.00 0.00 O ATOM 1424 NE2 GLN A 88 4.295 -10.036 6.593 1.00 0.00 N ATOM 0 H GLN A 88 3.202 -11.162 2.937 1.00 0.00 H new ATOM 0 HA GLN A 88 3.216 -13.827 3.907 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.941 -12.789 6.087 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.138 -11.918 5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.243 -10.292 4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.297 -11.074 5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.813 -10.665 5.979 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.793 -9.462 7.273 1.00 0.00 H new ATOM 1433 N SER A 89 0.326 -12.562 3.298 1.00 0.00 N ATOM 1434 CA SER A 89 -1.095 -12.882 3.231 1.00 0.00 C ATOM 1435 C SER A 89 -1.311 -14.249 2.585 1.00 0.00 C ATOM 1436 O SER A 89 -2.142 -15.037 3.037 1.00 0.00 O ATOM 1437 CB SER A 89 -1.853 -11.813 2.436 1.00 0.00 C ATOM 1438 OG SER A 89 -1.808 -10.552 3.080 1.00 0.00 O ATOM 0 H SER A 89 0.606 -11.758 2.736 1.00 0.00 H new ATOM 0 HA SER A 89 -1.480 -12.907 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.423 -11.728 1.438 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.891 -12.121 2.310 1.00 0.00 H new ATOM 0 HG SER A 89 -0.922 -10.153 2.956 1.00 0.00 H new ATOM 1444 N TYR A 90 -0.543 -14.533 1.539 1.00 0.00 N ATOM 1445 CA TYR A 90 -0.703 -15.777 0.799 1.00 0.00 C ATOM 1446 C TYR A 90 0.065 -16.915 1.457 1.00 0.00 C ATOM 1447 O TYR A 90 -0.481 -17.995 1.675 1.00 0.00 O ATOM 1448 CB TYR A 90 -0.242 -15.611 -0.651 1.00 0.00 C ATOM 1449 CG TYR A 90 -1.044 -14.596 -1.431 1.00 0.00 C ATOM 1450 CD1 TYR A 90 -2.381 -14.817 -1.724 1.00 0.00 C ATOM 1451 CD2 TYR A 90 -0.462 -13.418 -1.877 1.00 0.00 C ATOM 1452 CE1 TYR A 90 -3.118 -13.893 -2.438 1.00 0.00 C ATOM 1453 CE2 TYR A 90 -1.192 -12.488 -2.593 1.00 0.00 C ATOM 1454 CZ TYR A 90 -2.520 -12.728 -2.869 1.00 0.00 C ATOM 1455 OH TYR A 90 -3.256 -11.798 -3.573 1.00 0.00 O ATOM 0 H TYR A 90 0.193 -13.921 1.186 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.764 -16.026 0.807 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.807 -15.315 -0.658 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.304 -16.575 -1.155 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.854 -15.728 -1.388 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.578 -13.225 -1.661 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.158 -14.082 -2.658 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.723 -11.577 -2.935 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.686 -11.034 -3.801 1.00 0.00 H new ATOM 1465 N VAL A 91 1.326 -16.669 1.790 1.00 0.00 N ATOM 1466 CA VAL A 91 2.175 -17.710 2.359 1.00 0.00 C ATOM 1467 C VAL A 91 1.826 -17.981 3.824 1.00 0.00 C ATOM 1468 O VAL A 91 2.191 -19.024 4.373 1.00 0.00 O ATOM 1469 CB VAL A 91 3.674 -17.357 2.236 1.00 0.00 C ATOM 1470 CG1 VAL A 91 4.063 -17.205 0.776 1.00 0.00 C ATOM 1471 CG2 VAL A 91 4.006 -16.091 3.012 1.00 0.00 C ATOM 0 H VAL A 91 1.782 -15.764 1.677 1.00 0.00 H new ATOM 0 HA VAL A 91 1.985 -18.615 1.782 1.00 0.00 H new ATOM 0 HB VAL A 91 4.250 -18.175 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 91 5.122 -16.956 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.874 -18.141 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.472 -16.409 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.068 -15.868 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.420 -15.260 2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.769 -16.237 4.066 1.00 0.00 H new ATOM 1481 N HIS A 92 1.111 -17.036 4.444 1.00 0.00 N ATOM 1482 CA HIS A 92 0.664 -17.162 5.834 1.00 0.00 C ATOM 1483 C HIS A 92 1.858 -17.243 6.784 1.00 0.00 C ATOM 1484 O HIS A 92 1.797 -17.884 7.834 1.00 0.00 O ATOM 1485 CB HIS A 92 -0.243 -18.390 6.007 1.00 0.00 C ATOM 1486 CG HIS A 92 -1.459 -18.371 5.127 1.00 0.00 C ATOM 1487 ND1 HIS A 92 -1.757 -19.378 4.233 1.00 0.00 N ATOM 1488 CD2 HIS A 92 -2.455 -17.462 5.006 1.00 0.00 C ATOM 1489 CE1 HIS A 92 -2.873 -19.085 3.599 1.00 0.00 C ATOM 1490 NE2 HIS A 92 -3.319 -17.929 4.048 1.00 0.00 N ATOM 0 H HIS A 92 0.827 -16.164 3.997 1.00 0.00 H new ATOM 0 HA HIS A 92 0.087 -16.271 6.083 1.00 0.00 H new ATOM 0 HB2 HIS A 92 0.334 -19.290 5.795 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -0.560 -18.453 7.048 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.551 -16.540 5.561 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.344 -19.690 2.839 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.168 -17.458 3.734 1.00 0.00 H new ATOM 1499 N HIS A 93 2.928 -16.545 6.426 1.00 0.00 N ATOM 1500 CA HIS A 93 4.156 -16.538 7.215 1.00 0.00 C ATOM 1501 C HIS A 93 4.133 -15.363 8.194 1.00 0.00 C ATOM 1502 O HIS A 93 5.105 -14.623 8.342 1.00 0.00 O ATOM 1503 CB HIS A 93 5.362 -16.455 6.272 1.00 0.00 C ATOM 1504 CG HIS A 93 6.696 -16.643 6.936 1.00 0.00 C ATOM 1505 ND1 HIS A 93 7.102 -17.837 7.485 1.00 0.00 N ATOM 1506 CD2 HIS A 93 7.723 -15.779 7.120 1.00 0.00 C ATOM 1507 CE1 HIS A 93 8.320 -17.705 7.976 1.00 0.00 C ATOM 1508 NE2 HIS A 93 8.723 -16.465 7.767 1.00 0.00 N ATOM 0 H HIS A 93 2.971 -15.970 5.585 1.00 0.00 H new ATOM 0 HA HIS A 93 4.234 -17.458 7.795 1.00 0.00 H new ATOM 0 HB2 HIS A 93 5.250 -17.210 5.494 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.352 -15.484 5.777 1.00 0.00 H new ATOM 0 HD2 HIS A 93 7.751 -14.743 6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 93 8.891 -18.480 8.466 1.00 0.00 H new ATOM 0 HE2 HIS A 93 9.627 -16.080 8.041 1.00 0.00 H new ATOM 1517 N ILE A 94 3.009 -15.207 8.866 1.00 0.00 N ATOM 1518 CA ILE A 94 2.813 -14.112 9.797 1.00 0.00 C ATOM 1519 C ILE A 94 1.991 -14.602 10.984 1.00 0.00 C ATOM 1520 O ILE A 94 1.209 -15.545 10.847 1.00 0.00 O ATOM 1521 CB ILE A 94 2.100 -12.922 9.100 1.00 0.00 C ATOM 1522 CG1 ILE A 94 2.145 -11.667 9.964 1.00 0.00 C ATOM 1523 CG2 ILE A 94 0.661 -13.274 8.760 1.00 0.00 C ATOM 1524 CD1 ILE A 94 3.523 -11.067 10.082 1.00 0.00 C ATOM 0 H ILE A 94 2.208 -15.833 8.783 1.00 0.00 H new ATOM 0 HA ILE A 94 3.784 -13.764 10.148 1.00 0.00 H new ATOM 0 HB ILE A 94 2.636 -12.717 8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.468 -10.923 9.545 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.776 -11.908 10.961 1.00 0.00 H new ATOM 0 HG21 ILE A 94 0.184 -12.424 8.273 1.00 0.00 H new ATOM 0 HG22 ILE A 94 0.645 -14.133 8.089 1.00 0.00 H new ATOM 0 HG23 ILE A 94 0.120 -13.518 9.674 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.480 -10.178 10.711 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.200 -11.795 10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.887 -10.794 9.092 1.00 0.00 H new ATOM 1536 N HIS A 95 2.171 -13.987 12.146 1.00 0.00 N ATOM 1537 CA HIS A 95 1.445 -14.419 13.331 1.00 0.00 C ATOM 1538 C HIS A 95 0.067 -13.769 13.392 1.00 0.00 C ATOM 1539 O HIS A 95 -0.879 -14.273 12.794 1.00 0.00 O ATOM 1540 CB HIS A 95 2.232 -14.134 14.611 1.00 0.00 C ATOM 1541 CG HIS A 95 3.548 -14.844 14.684 1.00 0.00 C ATOM 1542 ND1 HIS A 95 3.740 -16.129 14.232 1.00 0.00 N ATOM 1543 CD2 HIS A 95 4.744 -14.432 15.156 1.00 0.00 C ATOM 1544 CE1 HIS A 95 4.998 -16.477 14.424 1.00 0.00 C ATOM 1545 NE2 HIS A 95 5.633 -15.463 14.985 1.00 0.00 N ATOM 0 H HIS A 95 2.803 -13.200 12.292 1.00 0.00 H new ATOM 0 HA HIS A 95 1.315 -15.499 13.257 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.405 -13.061 14.688 1.00 0.00 H new ATOM 0 HB3 HIS A 95 1.626 -14.422 15.470 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.961 -13.467 15.589 1.00 0.00 H new ATOM 0 HE1 HIS A 95 5.435 -17.430 14.166 1.00 0.00 H new ATOM 0 HE2 HIS A 95 6.619 -15.449 15.247 1.00 0.00 H new ATOM 1554 N LYS A 96 -0.042 -12.636 14.086 1.00 0.00 N ATOM 1555 CA LYS A 96 -1.331 -11.963 14.248 1.00 0.00 C ATOM 1556 C LYS A 96 -1.180 -10.445 14.238 1.00 0.00 C ATOM 1557 O LYS A 96 -1.388 -9.797 13.212 1.00 0.00 O ATOM 1558 CB LYS A 96 -2.023 -12.399 15.554 1.00 0.00 C ATOM 1559 CG LYS A 96 -2.521 -13.838 15.551 1.00 0.00 C ATOM 1560 CD LYS A 96 -3.506 -14.080 14.420 1.00 0.00 C ATOM 1561 CE LYS A 96 -4.040 -15.498 14.434 1.00 0.00 C ATOM 1562 NZ LYS A 96 -4.824 -15.808 13.210 1.00 0.00 N ATOM 0 H LYS A 96 0.741 -12.167 14.542 1.00 0.00 H new ATOM 0 HA LYS A 96 -1.948 -12.256 13.399 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.325 -12.270 16.381 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.867 -11.736 15.743 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.675 -14.518 15.450 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.998 -14.062 16.505 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.336 -13.378 14.504 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -3.018 -13.884 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -3.209 -16.198 14.519 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.668 -15.640 15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.731 -16.240 13.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.002 -14.931 12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.289 -16.471 12.613 1.00 0.00 H new ATOM 1576 N LYS A 97 -0.787 -9.889 15.379 1.00 0.00 N ATOM 1577 CA LYS A 97 -0.779 -8.441 15.575 1.00 0.00 C ATOM 1578 C LYS A 97 0.158 -7.731 14.603 1.00 0.00 C ATOM 1579 O LYS A 97 -0.172 -6.660 14.097 1.00 0.00 O ATOM 1580 CB LYS A 97 -0.393 -8.099 17.014 1.00 0.00 C ATOM 1581 CG LYS A 97 -0.455 -6.611 17.328 1.00 0.00 C ATOM 1582 CD LYS A 97 -0.281 -6.346 18.813 1.00 0.00 C ATOM 1583 CE LYS A 97 -1.370 -7.028 19.624 1.00 0.00 C ATOM 1584 NZ LYS A 97 -1.248 -6.738 21.075 1.00 0.00 N ATOM 0 H LYS A 97 -0.468 -10.422 16.188 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.790 -8.087 15.375 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.056 -8.633 17.695 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.618 -8.460 17.205 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.322 -6.088 16.771 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.411 -6.208 16.995 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.696 -6.705 19.137 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.304 -5.272 18.999 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.346 -6.698 19.269 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.320 -8.105 19.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.010 -7.222 21.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.327 -7.076 21.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.321 -5.712 21.231 1.00 0.00 H new ATOM 1598 N ARG A 98 1.316 -8.326 14.333 1.00 0.00 N ATOM 1599 CA ARG A 98 2.294 -7.690 13.456 1.00 0.00 C ATOM 1600 C ARG A 98 1.755 -7.566 12.034 1.00 0.00 C ATOM 1601 O ARG A 98 2.137 -6.660 11.301 1.00 0.00 O ATOM 1602 CB ARG A 98 3.631 -8.441 13.468 1.00 0.00 C ATOM 1603 CG ARG A 98 4.323 -8.402 14.823 1.00 0.00 C ATOM 1604 CD ARG A 98 5.819 -8.664 14.712 1.00 0.00 C ATOM 1605 NE ARG A 98 6.133 -10.034 14.302 1.00 0.00 N ATOM 1606 CZ ARG A 98 7.371 -10.532 14.287 1.00 0.00 C ATOM 1607 NH1 ARG A 98 8.404 -9.758 14.609 1.00 0.00 N ATOM 1608 NH2 ARG A 98 7.577 -11.797 13.938 1.00 0.00 N ATOM 0 H ARG A 98 1.598 -9.234 14.702 1.00 0.00 H new ATOM 0 HA ARG A 98 2.474 -6.686 13.840 1.00 0.00 H new ATOM 0 HB2 ARG A 98 3.461 -9.479 13.183 1.00 0.00 H new ATOM 0 HB3 ARG A 98 4.291 -8.008 12.716 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.160 -7.428 15.285 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.873 -9.146 15.480 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.251 -7.968 13.993 1.00 0.00 H new ATOM 0 HD3 ARG A 98 6.290 -8.462 15.674 1.00 0.00 H new ATOM 0 HE ARG A 98 5.365 -10.640 14.013 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.250 -8.783 14.868 1.00 0.00 H new ATOM 0 HH12 ARG A 98 9.350 -10.139 14.597 1.00 0.00 H new ATOM 0 HH21 ARG A 98 6.788 -12.390 13.681 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.524 -12.175 13.927 1.00 0.00 H new ATOM 1622 N PHE A 99 0.844 -8.461 11.660 1.00 0.00 N ATOM 1623 CA PHE A 99 0.200 -8.395 10.350 1.00 0.00 C ATOM 1624 C PHE A 99 -0.716 -7.182 10.292 1.00 0.00 C ATOM 1625 O PHE A 99 -0.655 -6.376 9.358 1.00 0.00 O ATOM 1626 CB PHE A 99 -0.606 -9.673 10.082 1.00 0.00 C ATOM 1627 CG PHE A 99 -1.324 -9.677 8.759 1.00 0.00 C ATOM 1628 CD1 PHE A 99 -0.682 -10.105 7.607 1.00 0.00 C ATOM 1629 CD2 PHE A 99 -2.642 -9.260 8.667 1.00 0.00 C ATOM 1630 CE1 PHE A 99 -1.338 -10.114 6.392 1.00 0.00 C ATOM 1631 CE2 PHE A 99 -3.304 -9.265 7.454 1.00 0.00 C ATOM 1632 CZ PHE A 99 -2.650 -9.694 6.315 1.00 0.00 C ATOM 0 H PHE A 99 0.535 -9.239 12.243 1.00 0.00 H new ATOM 0 HA PHE A 99 0.970 -8.305 9.584 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.067 -10.530 10.121 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.336 -9.804 10.881 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.345 -10.436 7.661 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.159 -8.927 9.555 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.825 -10.449 5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.330 -8.934 7.396 1.00 0.00 H new ATOM 0 HZ PHE A 99 -3.165 -9.701 5.366 1.00 0.00 H new ATOM 1642 N LYS A 100 -1.554 -7.054 11.313 1.00 0.00 N ATOM 1643 CA LYS A 100 -2.477 -5.939 11.407 1.00 0.00 C ATOM 1644 C LYS A 100 -1.711 -4.629 11.497 1.00 0.00 C ATOM 1645 O LYS A 100 -2.042 -3.667 10.822 1.00 0.00 O ATOM 1646 CB LYS A 100 -3.391 -6.090 12.624 1.00 0.00 C ATOM 1647 CG LYS A 100 -4.447 -5.002 12.720 1.00 0.00 C ATOM 1648 CD LYS A 100 -5.413 -5.244 13.865 1.00 0.00 C ATOM 1649 CE LYS A 100 -6.480 -4.167 13.913 1.00 0.00 C ATOM 1650 NZ LYS A 100 -7.241 -4.088 12.639 1.00 0.00 N ATOM 0 H LYS A 100 -1.610 -7.714 12.089 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.094 -5.933 10.509 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.883 -7.062 12.582 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.784 -6.079 13.529 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.960 -4.036 12.855 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.001 -4.952 11.783 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.882 -6.221 13.749 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.867 -5.262 14.808 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.167 -4.372 14.735 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.015 -3.203 14.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.117 -3.549 12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -6.662 -3.612 11.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.476 -5.048 12.315 1.00 0.00 H new ATOM 1664 N ASP A 101 -0.681 -4.618 12.326 1.00 0.00 N ATOM 1665 CA ASP A 101 0.169 -3.437 12.515 1.00 0.00 C ATOM 1666 C ASP A 101 0.772 -2.966 11.196 1.00 0.00 C ATOM 1667 O ASP A 101 0.804 -1.768 10.914 1.00 0.00 O ATOM 1668 CB ASP A 101 1.287 -3.768 13.502 1.00 0.00 C ATOM 1669 CG ASP A 101 2.173 -2.577 13.818 1.00 0.00 C ATOM 1670 OD1 ASP A 101 1.749 -1.707 14.610 1.00 0.00 O ATOM 1671 OD2 ASP A 101 3.308 -2.521 13.298 1.00 0.00 O ATOM 0 H ASP A 101 -0.404 -5.422 12.890 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.451 -2.631 12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.848 -4.143 14.427 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.900 -4.571 13.092 1.00 0.00 H new ATOM 1676 N ILE A 102 1.250 -3.910 10.395 1.00 0.00 N ATOM 1677 CA ILE A 102 1.757 -3.588 9.065 1.00 0.00 C ATOM 1678 C ILE A 102 0.651 -2.961 8.216 1.00 0.00 C ATOM 1679 O ILE A 102 0.876 -1.970 7.528 1.00 0.00 O ATOM 1680 CB ILE A 102 2.338 -4.835 8.349 1.00 0.00 C ATOM 1681 CG1 ILE A 102 3.610 -5.307 9.062 1.00 0.00 C ATOM 1682 CG2 ILE A 102 2.639 -4.532 6.887 1.00 0.00 C ATOM 1683 CD1 ILE A 102 4.217 -6.561 8.468 1.00 0.00 C ATOM 0 H ILE A 102 1.298 -4.899 10.640 1.00 0.00 H new ATOM 0 HA ILE A 102 2.569 -2.871 9.188 1.00 0.00 H new ATOM 0 HB ILE A 102 1.592 -5.629 8.387 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.350 -4.507 9.031 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.380 -5.489 10.112 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.045 -5.422 6.407 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.721 -4.234 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 102 3.366 -3.723 6.825 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.113 -6.831 9.027 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.495 -7.376 8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.480 -6.379 7.426 1.00 0.00 H new ATOM 1695 N THR A 103 -0.547 -3.526 8.298 1.00 0.00 N ATOM 1696 CA THR A 103 -1.699 -2.983 7.586 1.00 0.00 C ATOM 1697 C THR A 103 -2.010 -1.568 8.073 1.00 0.00 C ATOM 1698 O THR A 103 -2.191 -0.644 7.278 1.00 0.00 O ATOM 1699 CB THR A 103 -2.949 -3.864 7.790 1.00 0.00 C ATOM 1700 OG1 THR A 103 -2.645 -5.238 7.512 1.00 0.00 O ATOM 1701 CG2 THR A 103 -4.084 -3.405 6.890 1.00 0.00 C ATOM 0 H THR A 103 -0.747 -4.360 8.850 1.00 0.00 H new ATOM 0 HA THR A 103 -1.446 -2.963 6.526 1.00 0.00 H new ATOM 0 HB THR A 103 -3.261 -3.768 8.830 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.092 -5.603 8.234 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.955 -4.040 7.050 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.340 -2.372 7.125 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.772 -3.473 5.848 1.00 0.00 H new ATOM 1709 N GLU A 104 -2.041 -1.415 9.389 1.00 0.00 N ATOM 1710 CA GLU A 104 -2.371 -0.157 10.037 1.00 0.00 C ATOM 1711 C GLU A 104 -1.386 0.942 9.657 1.00 0.00 C ATOM 1712 O GLU A 104 -1.796 2.030 9.265 1.00 0.00 O ATOM 1713 CB GLU A 104 -2.368 -0.352 11.557 1.00 0.00 C ATOM 1714 CG GLU A 104 -3.450 -1.290 12.065 1.00 0.00 C ATOM 1715 CD GLU A 104 -4.848 -0.823 11.724 1.00 0.00 C ATOM 1716 OE1 GLU A 104 -5.356 0.091 12.406 1.00 0.00 O ATOM 1717 OE2 GLU A 104 -5.453 -1.371 10.779 1.00 0.00 O ATOM 0 H GLU A 104 -1.835 -2.170 10.043 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.361 0.151 9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -1.395 -0.739 11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.489 0.619 12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.291 -2.282 11.641 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.360 -1.387 13.147 1.00 0.00 H new ATOM 1724 N SER A 105 -0.093 0.648 9.765 1.00 0.00 N ATOM 1725 CA SER A 105 0.944 1.630 9.466 1.00 0.00 C ATOM 1726 C SER A 105 0.869 2.093 8.010 1.00 0.00 C ATOM 1727 O SER A 105 1.048 3.279 7.714 1.00 0.00 O ATOM 1728 CB SER A 105 2.325 1.048 9.782 1.00 0.00 C ATOM 1729 OG SER A 105 2.460 -0.262 9.259 1.00 0.00 O ATOM 0 H SER A 105 0.261 -0.263 10.057 1.00 0.00 H new ATOM 0 HA SER A 105 0.779 2.504 10.096 1.00 0.00 H new ATOM 0 HB2 SER A 105 3.098 1.691 9.363 1.00 0.00 H new ATOM 0 HB3 SER A 105 2.477 1.029 10.861 1.00 0.00 H new ATOM 0 HG SER A 105 2.027 -0.901 9.862 1.00 0.00 H new ATOM 1735 N VAL A 106 0.592 1.155 7.107 1.00 0.00 N ATOM 1736 CA VAL A 106 0.420 1.478 5.696 1.00 0.00 C ATOM 1737 C VAL A 106 -0.811 2.363 5.497 1.00 0.00 C ATOM 1738 O VAL A 106 -0.706 3.472 4.976 1.00 0.00 O ATOM 1739 CB VAL A 106 0.296 0.197 4.836 1.00 0.00 C ATOM 1740 CG1 VAL A 106 -0.023 0.531 3.387 1.00 0.00 C ATOM 1741 CG2 VAL A 106 1.573 -0.621 4.916 1.00 0.00 C ATOM 0 H VAL A 106 0.482 0.166 7.329 1.00 0.00 H new ATOM 0 HA VAL A 106 1.307 2.022 5.370 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.529 -0.393 5.236 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.103 -0.391 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.967 1.073 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.773 1.150 2.973 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.469 -1.518 4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.409 -0.027 4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.758 -0.906 5.952 1.00 0.00 H new ATOM 1751 N LEU A 107 -1.963 1.877 5.951 1.00 0.00 N ATOM 1752 CA LEU A 107 -3.234 2.592 5.811 1.00 0.00 C ATOM 1753 C LEU A 107 -3.177 3.984 6.437 1.00 0.00 C ATOM 1754 O LEU A 107 -3.676 4.956 5.864 1.00 0.00 O ATOM 1755 CB LEU A 107 -4.363 1.777 6.447 1.00 0.00 C ATOM 1756 CG LEU A 107 -4.828 0.573 5.626 1.00 0.00 C ATOM 1757 CD1 LEU A 107 -5.885 -0.209 6.385 1.00 0.00 C ATOM 1758 CD2 LEU A 107 -5.364 1.025 4.273 1.00 0.00 C ATOM 0 H LEU A 107 -2.045 0.978 6.426 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.428 2.718 4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.032 1.426 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.216 2.435 6.616 1.00 0.00 H new ATOM 0 HG LEU A 107 -3.973 -0.081 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.205 -1.062 5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -5.469 -0.562 7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.741 0.436 6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -5.690 0.156 3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.208 1.699 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -4.578 1.544 3.725 1.00 0.00 H new ATOM 1770 N TYR A 108 -2.564 4.063 7.608 1.00 0.00 N ATOM 1771 CA TYR A 108 -2.395 5.322 8.328 1.00 0.00 C ATOM 1772 C TYR A 108 -1.648 6.337 7.464 1.00 0.00 C ATOM 1773 O TYR A 108 -2.100 7.469 7.280 1.00 0.00 O ATOM 1774 CB TYR A 108 -1.621 5.046 9.626 1.00 0.00 C ATOM 1775 CG TYR A 108 -1.446 6.231 10.548 1.00 0.00 C ATOM 1776 CD1 TYR A 108 -0.390 7.118 10.384 1.00 0.00 C ATOM 1777 CD2 TYR A 108 -2.322 6.445 11.603 1.00 0.00 C ATOM 1778 CE1 TYR A 108 -0.216 8.187 11.240 1.00 0.00 C ATOM 1779 CE2 TYR A 108 -2.150 7.509 12.467 1.00 0.00 C ATOM 1780 CZ TYR A 108 -1.097 8.376 12.282 1.00 0.00 C ATOM 1781 OH TYR A 108 -0.919 9.433 13.147 1.00 0.00 O ATOM 0 H TYR A 108 -2.168 3.256 8.089 1.00 0.00 H new ATOM 0 HA TYR A 108 -3.372 5.743 8.566 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -2.135 4.256 10.173 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -0.634 4.663 9.365 1.00 0.00 H new ATOM 0 HD1 TYR A 108 0.307 6.969 9.573 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -3.151 5.769 11.751 1.00 0.00 H new ATOM 0 HE1 TYR A 108 0.606 8.871 11.094 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -2.839 7.660 13.285 1.00 0.00 H new ATOM 0 HH TYR A 108 -1.627 9.424 13.825 1.00 0.00 H new ATOM 1791 N THR A 109 -0.518 5.913 6.918 1.00 0.00 N ATOM 1792 CA THR A 109 0.311 6.787 6.105 1.00 0.00 C ATOM 1793 C THR A 109 -0.356 7.092 4.764 1.00 0.00 C ATOM 1794 O THR A 109 -0.300 8.223 4.280 1.00 0.00 O ATOM 1795 CB THR A 109 1.695 6.157 5.873 1.00 0.00 C ATOM 1796 OG1 THR A 109 2.253 5.758 7.133 1.00 0.00 O ATOM 1797 CG2 THR A 109 2.638 7.135 5.186 1.00 0.00 C ATOM 0 H THR A 109 -0.154 4.966 7.024 1.00 0.00 H new ATOM 0 HA THR A 109 0.435 7.725 6.647 1.00 0.00 H new ATOM 0 HB THR A 109 1.573 5.289 5.225 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.873 4.895 7.400 1.00 0.00 H new ATOM 0 HG21 THR A 109 3.608 6.661 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.222 7.424 4.221 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.760 8.021 5.809 1.00 0.00 H new ATOM 1805 N LEU A 110 -1.005 6.087 4.179 1.00 0.00 N ATOM 1806 CA LEU A 110 -1.691 6.252 2.898 1.00 0.00 C ATOM 1807 C LEU A 110 -2.716 7.375 2.965 1.00 0.00 C ATOM 1808 O LEU A 110 -2.811 8.195 2.052 1.00 0.00 O ATOM 1809 CB LEU A 110 -2.383 4.954 2.475 1.00 0.00 C ATOM 1810 CG LEU A 110 -1.453 3.809 2.074 1.00 0.00 C ATOM 1811 CD1 LEU A 110 -2.260 2.579 1.691 1.00 0.00 C ATOM 1812 CD2 LEU A 110 -0.547 4.234 0.928 1.00 0.00 C ATOM 0 H LEU A 110 -1.070 5.148 4.572 1.00 0.00 H new ATOM 0 HA LEU A 110 -0.935 6.509 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.013 4.615 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.044 5.172 1.636 1.00 0.00 H new ATOM 0 HG LEU A 110 -0.827 3.556 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.583 1.773 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -2.866 2.263 2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.911 2.818 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.108 3.406 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.155 4.513 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.056 5.087 1.238 1.00 0.00 H new ATOM 1824 N HIS A 111 -3.471 7.422 4.054 1.00 0.00 N ATOM 1825 CA HIS A 111 -4.484 8.454 4.230 1.00 0.00 C ATOM 1826 C HIS A 111 -3.850 9.834 4.334 1.00 0.00 C ATOM 1827 O HIS A 111 -4.401 10.811 3.829 1.00 0.00 O ATOM 1828 CB HIS A 111 -5.342 8.174 5.466 1.00 0.00 C ATOM 1829 CG HIS A 111 -6.549 7.340 5.175 1.00 0.00 C ATOM 1830 ND1 HIS A 111 -7.825 7.858 5.131 1.00 0.00 N ATOM 1831 CD2 HIS A 111 -6.672 6.020 4.906 1.00 0.00 C ATOM 1832 CE1 HIS A 111 -8.680 6.895 4.847 1.00 0.00 C ATOM 1833 NE2 HIS A 111 -8.006 5.770 4.707 1.00 0.00 N ATOM 0 H HIS A 111 -3.402 6.760 4.827 1.00 0.00 H new ATOM 0 HA HIS A 111 -5.127 8.436 3.350 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -4.733 7.669 6.215 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -5.660 9.122 5.900 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -5.870 5.298 4.857 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -9.749 7.008 4.746 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -8.411 4.860 4.486 1.00 0.00 H new ATOM 1842 N ALA A 112 -2.684 9.899 4.964 1.00 0.00 N ATOM 1843 CA ALA A 112 -1.981 11.167 5.137 1.00 0.00 C ATOM 1844 C ALA A 112 -1.434 11.675 3.806 1.00 0.00 C ATOM 1845 O ALA A 112 -1.453 12.875 3.532 1.00 0.00 O ATOM 1846 CB ALA A 112 -0.855 11.013 6.153 1.00 0.00 C ATOM 0 H ALA A 112 -2.205 9.092 5.363 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.693 11.903 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.339 11.966 6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.270 10.703 7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.149 10.260 5.803 1.00 0.00 H new ATOM 1852 N VAL A 113 -0.972 10.752 2.973 1.00 0.00 N ATOM 1853 CA VAL A 113 -0.396 11.111 1.683 1.00 0.00 C ATOM 1854 C VAL A 113 -1.500 11.442 0.687 1.00 0.00 C ATOM 1855 O VAL A 113 -1.445 12.456 -0.006 1.00 0.00 O ATOM 1856 CB VAL A 113 0.484 9.975 1.111 1.00 0.00 C ATOM 1857 CG1 VAL A 113 1.129 10.396 -0.200 1.00 0.00 C ATOM 1858 CG2 VAL A 113 1.546 9.557 2.113 1.00 0.00 C ATOM 0 H VAL A 113 -0.985 9.751 3.167 1.00 0.00 H new ATOM 0 HA VAL A 113 0.235 11.985 1.842 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.161 9.118 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.743 9.580 -0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.353 10.637 -0.926 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.754 11.273 -0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.152 8.757 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 113 2.183 10.411 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.066 9.203 3.025 1.00 0.00 H new ATOM 1868 N LYS A 114 -2.513 10.580 0.644 1.00 0.00 N ATOM 1869 CA LYS A 114 -3.627 10.733 -0.285 1.00 0.00 C ATOM 1870 C LYS A 114 -4.297 12.091 -0.100 1.00 0.00 C ATOM 1871 O LYS A 114 -4.695 12.738 -1.072 1.00 0.00 O ATOM 1872 CB LYS A 114 -4.641 9.599 -0.065 1.00 0.00 C ATOM 1873 CG LYS A 114 -5.709 9.487 -1.151 1.00 0.00 C ATOM 1874 CD LYS A 114 -6.921 10.369 -0.874 1.00 0.00 C ATOM 1875 CE LYS A 114 -7.716 9.863 0.318 1.00 0.00 C ATOM 1876 NZ LYS A 114 -8.882 10.734 0.627 1.00 0.00 N ATOM 0 H LYS A 114 -2.584 9.761 1.248 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.248 10.679 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.102 8.653 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.132 9.749 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -5.275 9.763 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -6.031 8.449 -1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.593 11.392 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -7.562 10.396 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -8.065 8.850 0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -7.064 9.808 1.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -9.394 10.350 1.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.549 11.695 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -9.518 10.767 -0.195 1.00 0.00 H new ATOM 1890 N ASP A 115 -4.402 12.523 1.150 1.00 0.00 N ATOM 1891 CA ASP A 115 -5.045 13.789 1.469 1.00 0.00 C ATOM 1892 C ASP A 115 -4.270 14.958 0.868 1.00 0.00 C ATOM 1893 O ASP A 115 -4.854 15.825 0.230 1.00 0.00 O ATOM 1894 CB ASP A 115 -5.177 13.967 2.981 1.00 0.00 C ATOM 1895 CG ASP A 115 -5.946 15.220 3.342 1.00 0.00 C ATOM 1896 OD1 ASP A 115 -7.170 15.262 3.093 1.00 0.00 O ATOM 1897 OD2 ASP A 115 -5.338 16.163 3.883 1.00 0.00 O ATOM 0 H ASP A 115 -4.049 12.014 1.960 1.00 0.00 H new ATOM 0 HA ASP A 115 -6.044 13.774 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.681 13.098 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -4.184 14.010 3.429 1.00 0.00 H new ATOM 1902 N GLU A 116 -2.950 14.958 1.045 1.00 0.00 N ATOM 1903 CA GLU A 116 -2.111 16.033 0.527 1.00 0.00 C ATOM 1904 C GLU A 116 -2.087 16.035 -1.001 1.00 0.00 C ATOM 1905 O GLU A 116 -2.130 17.097 -1.626 1.00 0.00 O ATOM 1906 CB GLU A 116 -0.689 15.931 1.087 1.00 0.00 C ATOM 1907 CG GLU A 116 0.261 16.955 0.487 1.00 0.00 C ATOM 1908 CD GLU A 116 1.527 17.149 1.293 1.00 0.00 C ATOM 1909 OE1 GLU A 116 1.764 16.376 2.243 1.00 0.00 O ATOM 1910 OE2 GLU A 116 2.275 18.106 0.991 1.00 0.00 O ATOM 0 H GLU A 116 -2.441 14.227 1.542 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.545 16.977 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -0.720 16.063 2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -0.301 14.930 0.899 1.00 0.00 H new ATOM 0 HG2 GLU A 116 0.527 16.644 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -0.255 17.911 0.401 1.00 0.00 H new ATOM 1917 N ILE A 117 -2.030 14.851 -1.600 1.00 0.00 N ATOM 1918 CA ILE A 117 -2.045 14.731 -3.055 1.00 0.00 C ATOM 1919 C ILE A 117 -3.296 15.388 -3.632 1.00 0.00 C ATOM 1920 O ILE A 117 -3.223 16.167 -4.586 1.00 0.00 O ATOM 1921 CB ILE A 117 -1.980 13.255 -3.510 1.00 0.00 C ATOM 1922 CG1 ILE A 117 -0.671 12.614 -3.042 1.00 0.00 C ATOM 1923 CG2 ILE A 117 -2.111 13.153 -5.023 1.00 0.00 C ATOM 1924 CD1 ILE A 117 -0.562 11.143 -3.378 1.00 0.00 C ATOM 0 H ILE A 117 -1.973 13.962 -1.103 1.00 0.00 H new ATOM 0 HA ILE A 117 -1.158 15.242 -3.430 1.00 0.00 H new ATOM 0 HB ILE A 117 -2.814 12.717 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 117 0.166 13.145 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -0.580 12.739 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -2.063 12.106 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -3.066 13.576 -5.335 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -1.298 13.704 -5.497 1.00 0.00 H new ATOM 0 HD11 ILE A 117 0.391 10.757 -3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -1.378 10.600 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -0.620 11.011 -4.458 1.00 0.00 H new ATOM 1936 N ALA A 118 -4.440 15.091 -3.029 1.00 0.00 N ATOM 1937 CA ALA A 118 -5.703 15.676 -3.459 1.00 0.00 C ATOM 1938 C ALA A 118 -5.788 17.143 -3.048 1.00 0.00 C ATOM 1939 O ALA A 118 -6.466 17.942 -3.695 1.00 0.00 O ATOM 1940 CB ALA A 118 -6.876 14.900 -2.879 1.00 0.00 C ATOM 0 H ALA A 118 -4.519 14.448 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.749 15.619 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.811 15.352 -3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.832 13.865 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.827 14.926 -1.790 1.00 0.00 H new ATOM 1946 N ARG A 119 -5.094 17.480 -1.967 1.00 0.00 N ATOM 1947 CA ARG A 119 -5.086 18.834 -1.426 1.00 0.00 C ATOM 1948 C ARG A 119 -4.416 19.809 -2.389 1.00 0.00 C ATOM 1949 O ARG A 119 -4.997 20.833 -2.749 1.00 0.00 O ATOM 1950 CB ARG A 119 -4.353 18.851 -0.083 1.00 0.00 C ATOM 1951 CG ARG A 119 -4.370 20.196 0.617 1.00 0.00 C ATOM 1952 CD ARG A 119 -3.422 20.207 1.807 1.00 0.00 C ATOM 1953 NE ARG A 119 -3.516 21.447 2.575 1.00 0.00 N ATOM 1954 CZ ARG A 119 -2.848 22.562 2.282 1.00 0.00 C ATOM 1955 NH1 ARG A 119 -2.021 22.599 1.243 1.00 0.00 N ATOM 1956 NH2 ARG A 119 -2.996 23.642 3.039 1.00 0.00 N ATOM 0 H ARG A 119 -4.520 16.821 -1.440 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.120 19.149 -1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.803 18.107 0.574 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.318 18.550 -0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -4.085 20.979 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -5.382 20.422 0.953 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -3.647 19.361 2.457 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.399 20.076 1.456 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.133 21.460 3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -1.894 21.770 0.663 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -1.513 23.457 1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.621 23.618 3.845 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -2.485 24.496 2.815 1.00 0.00 H new ATOM 1970 N GLU A 120 -3.194 19.484 -2.799 1.00 0.00 N ATOM 1971 CA GLU A 120 -2.431 20.359 -3.680 1.00 0.00 C ATOM 1972 C GLU A 120 -3.031 20.358 -5.083 1.00 0.00 C ATOM 1973 O GLU A 120 -3.523 21.382 -5.556 1.00 0.00 O ATOM 1974 CB GLU A 120 -0.968 19.925 -3.738 1.00 0.00 C ATOM 1975 CG GLU A 120 -0.320 19.748 -2.372 1.00 0.00 C ATOM 1976 CD GLU A 120 -0.476 20.959 -1.473 1.00 0.00 C ATOM 1977 OE1 GLU A 120 -0.235 22.091 -1.938 1.00 0.00 O ATOM 1978 OE2 GLU A 120 -0.827 20.776 -0.285 1.00 0.00 O ATOM 0 H GLU A 120 -2.713 18.624 -2.536 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.478 21.371 -3.277 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.900 18.985 -4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.402 20.665 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.758 18.880 -1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.741 19.537 -2.505 1.00 0.00 H new ATOM 1985 N ASP A 121 -2.987 19.198 -5.734 1.00 0.00 N ATOM 1986 CA ASP A 121 -3.586 19.005 -7.057 1.00 0.00 C ATOM 1987 C ASP A 121 -3.389 17.567 -7.514 1.00 0.00 C ATOM 1988 O ASP A 121 -4.355 16.865 -7.825 1.00 0.00 O ATOM 1989 CB ASP A 121 -3.027 19.988 -8.113 1.00 0.00 C ATOM 1990 CG ASP A 121 -1.526 19.879 -8.349 1.00 0.00 C ATOM 1991 OD1 ASP A 121 -1.102 19.040 -9.177 1.00 0.00 O ATOM 1992 OD2 ASP A 121 -0.764 20.648 -7.729 1.00 0.00 O ATOM 0 H ASP A 121 -2.535 18.363 -5.361 1.00 0.00 H new ATOM 0 HA ASP A 121 -4.651 19.216 -6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -3.543 19.818 -9.058 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -3.260 21.006 -7.801 1.00 0.00 H new ATOM 1997 N SER A 122 -2.137 17.129 -7.528 1.00 0.00 N ATOM 1998 CA SER A 122 -1.791 15.778 -7.933 1.00 0.00 C ATOM 1999 C SER A 122 -0.301 15.525 -7.723 1.00 0.00 C ATOM 2000 O SER A 122 0.088 14.755 -6.849 1.00 0.00 O ATOM 2001 CB SER A 122 -2.172 15.548 -9.399 1.00 0.00 C ATOM 2002 OG SER A 122 -1.650 16.569 -10.235 1.00 0.00 O ATOM 0 H SER A 122 -1.336 17.701 -7.259 1.00 0.00 H new ATOM 0 HA SER A 122 -2.351 15.076 -7.315 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.796 14.579 -9.727 1.00 0.00 H new ATOM 0 HB3 SER A 122 -3.257 15.517 -9.494 1.00 0.00 H new ATOM 0 HG SER A 122 -1.632 17.417 -9.744 1.00 0.00 H new ATOM 2008 N ARG A 123 0.525 16.190 -8.528 1.00 0.00 N ATOM 2009 CA ARG A 123 1.973 16.037 -8.456 1.00 0.00 C ATOM 2010 C ARG A 123 2.673 17.062 -9.339 1.00 0.00 C ATOM 2011 O ARG A 123 2.023 17.831 -10.046 1.00 0.00 O ATOM 2012 CB ARG A 123 2.403 14.610 -8.854 1.00 0.00 C ATOM 2013 CG ARG A 123 1.708 14.022 -10.086 1.00 0.00 C ATOM 2014 CD ARG A 123 2.017 14.791 -11.362 1.00 0.00 C ATOM 2015 NE ARG A 123 1.799 13.979 -12.560 1.00 0.00 N ATOM 2016 CZ ARG A 123 0.951 14.288 -13.541 1.00 0.00 C ATOM 2017 NH1 ARG A 123 0.223 15.399 -13.485 1.00 0.00 N ATOM 2018 NH2 ARG A 123 0.859 13.492 -14.597 1.00 0.00 N ATOM 0 H ARG A 123 0.210 16.845 -9.243 1.00 0.00 H new ATOM 0 HA ARG A 123 2.270 16.209 -7.421 1.00 0.00 H new ATOM 0 HB2 ARG A 123 3.478 14.612 -9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 123 2.222 13.947 -8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 123 2.016 12.984 -10.210 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.630 14.018 -9.922 1.00 0.00 H new ATOM 0 HD2 ARG A 123 1.390 15.681 -11.409 1.00 0.00 H new ATOM 0 HD3 ARG A 123 3.052 15.131 -11.338 1.00 0.00 H new ATOM 0 HE ARG A 123 2.334 13.115 -12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 123 0.310 16.026 -12.685 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -0.422 15.625 -14.242 1.00 0.00 H new ATOM 0 HH21 ARG A 123 1.434 12.652 -14.654 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.213 13.720 -15.353 1.00 0.00 H new TER 2032 ARG A 123