USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 654 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 57 ASN : amide:sc= -0.188 X(o=-0.52,f=-0.86) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= -0.336 USER MOD Single : A 4 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.0045) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0264 USER MOD Single : A 11 GLN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= -0.712 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -132:sc= -5.52! (180deg=-11.1!) USER MOD Single : A 25 GLN : amide:sc= -0.712 K(o=-0.71,f=-0.0031) USER MOD Single : A 36 SER OG : rot 15:sc= 0.0368 USER MOD Single : A 39 SER OG : rot 180:sc= -2.83! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.535 K(o=-0.53,f=-1.6!) USER MOD Single : A 49 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.5) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 53 SER OG : rot 14:sc= 0.0136 USER MOD Single : A 61 SER OG : rot 47:sc= 0.255 USER MOD Single : A 62 SER OG : rot -131:sc= -3.41! USER MOD Single : A 65 THR OG1 : rot 92:sc= 1.21 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.0381 USER MOD Single : A 68 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.013) USER MOD Single : A 70 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.9!) USER MOD Single : A 77 TYR OH : rot 180:sc= -1.88 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.515 USER MOD Single : A 87 THR OG1 : rot 70:sc= 0.721 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.15) USER MOD Single : A 96 LYS NZ :NH3+ 147:sc= 0.0597 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 3 -16.684 3.462 4.092 1.00 0.00 N ATOM 44 CA LEU A 3 -15.389 3.238 3.450 1.00 0.00 C ATOM 45 C LEU A 3 -14.263 3.859 4.279 1.00 0.00 C ATOM 46 O LEU A 3 -14.276 5.060 4.552 1.00 0.00 O ATOM 47 CB LEU A 3 -15.398 3.812 2.023 1.00 0.00 C ATOM 48 CG LEU A 3 -15.498 2.758 0.903 1.00 0.00 C ATOM 49 CD1 LEU A 3 -16.951 2.515 0.509 1.00 0.00 C ATOM 50 CD2 LEU A 3 -14.677 3.171 -0.316 1.00 0.00 C ATOM 0 HA LEU A 3 -15.210 2.164 3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -16.237 4.502 1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -14.488 4.394 1.875 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.087 1.826 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -16.993 1.767 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -17.508 2.158 1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -17.392 3.446 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -14.766 2.409 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.047 4.122 -0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -13.630 3.278 -0.031 1.00 0.00 H new ATOM 62 N GLN A 4 -13.298 3.025 4.684 1.00 0.00 N ATOM 63 CA GLN A 4 -12.168 3.478 5.494 1.00 0.00 C ATOM 64 C GLN A 4 -10.860 2.822 5.041 1.00 0.00 C ATOM 65 O GLN A 4 -10.836 1.632 4.727 1.00 0.00 O ATOM 66 CB GLN A 4 -12.443 3.155 6.970 1.00 0.00 C ATOM 67 CG GLN A 4 -11.945 4.216 7.950 1.00 0.00 C ATOM 68 CD GLN A 4 -10.904 3.692 8.929 1.00 0.00 C ATOM 69 OE1 GLN A 4 -11.015 3.901 10.136 1.00 0.00 O ATOM 70 NE2 GLN A 4 -9.885 3.005 8.413 1.00 0.00 N ATOM 0 H GLN A 4 -13.280 2.030 4.461 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.057 4.555 5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -13.517 3.026 7.107 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -11.973 2.202 7.215 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -11.519 5.048 7.389 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -12.793 4.610 8.509 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.830 2.854 7.406 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -9.160 2.631 9.025 1.00 0.00 H new ATOM 79 N VAL A 5 -9.775 3.609 5.029 1.00 0.00 N ATOM 80 CA VAL A 5 -8.449 3.115 4.639 1.00 0.00 C ATOM 81 C VAL A 5 -7.364 3.812 5.467 1.00 0.00 C ATOM 82 O VAL A 5 -7.450 5.017 5.716 1.00 0.00 O ATOM 83 CB VAL A 5 -8.134 3.340 3.133 1.00 0.00 C ATOM 84 CG1 VAL A 5 -6.903 2.539 2.725 1.00 0.00 C ATOM 85 CG2 VAL A 5 -9.314 2.978 2.236 1.00 0.00 C ATOM 0 H VAL A 5 -9.792 4.596 5.287 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.457 2.041 4.825 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.937 4.404 3.001 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.694 2.706 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.047 2.859 3.319 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -7.086 1.478 2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.046 3.152 1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.568 1.927 2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.173 3.596 2.498 1.00 0.00 H new ATOM 95 N ASP A 6 -6.340 3.054 5.876 1.00 0.00 N ATOM 96 CA ASP A 6 -5.233 3.608 6.657 1.00 0.00 C ATOM 97 C ASP A 6 -4.015 2.696 6.577 1.00 0.00 C ATOM 98 O ASP A 6 -4.111 1.510 6.870 1.00 0.00 O ATOM 99 CB ASP A 6 -5.643 3.809 8.117 1.00 0.00 C ATOM 100 CG ASP A 6 -6.376 5.119 8.334 1.00 0.00 C ATOM 101 OD1 ASP A 6 -5.706 6.171 8.392 1.00 0.00 O ATOM 102 OD2 ASP A 6 -7.620 5.093 8.445 1.00 0.00 O ATOM 0 H ASP A 6 -6.257 2.057 5.678 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.975 4.579 6.234 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -6.281 2.982 8.430 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -4.755 3.783 8.748 1.00 0.00 H new ATOM 107 N ILE A 7 -2.872 3.254 6.177 1.00 0.00 N ATOM 108 CA ILE A 7 -1.634 2.479 6.048 1.00 0.00 C ATOM 109 C ILE A 7 -0.780 2.603 7.312 1.00 0.00 C ATOM 110 O ILE A 7 -0.642 3.692 7.874 1.00 0.00 O ATOM 111 CB ILE A 7 -0.820 2.915 4.799 1.00 0.00 C ATOM 112 CG1 ILE A 7 -1.718 2.889 3.558 1.00 0.00 C ATOM 113 CG2 ILE A 7 0.397 2.013 4.587 1.00 0.00 C ATOM 114 CD1 ILE A 7 -1.087 3.521 2.333 1.00 0.00 C ATOM 0 H ILE A 7 -2.776 4.241 5.936 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.913 1.433 5.919 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.460 3.930 4.964 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.976 1.855 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.650 3.408 3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.946 2.344 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.047 2.067 5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.067 0.984 4.444 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.782 3.465 1.496 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.854 4.565 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.170 2.988 2.080 1.00 0.00 H new ATOM 126 N VAL A 8 -0.210 1.473 7.751 1.00 0.00 N ATOM 127 CA VAL A 8 0.633 1.431 8.948 1.00 0.00 C ATOM 128 C VAL A 8 2.016 0.848 8.593 1.00 0.00 C ATOM 129 O VAL A 8 2.082 -0.213 7.962 1.00 0.00 O ATOM 130 CB VAL A 8 -0.011 0.573 10.068 1.00 0.00 C ATOM 131 CG1 VAL A 8 0.773 0.693 11.372 1.00 0.00 C ATOM 132 CG2 VAL A 8 -1.470 0.962 10.293 1.00 0.00 C ATOM 0 H VAL A 8 -0.320 0.570 7.289 1.00 0.00 H new ATOM 0 HA VAL A 8 0.739 2.452 9.316 1.00 0.00 H new ATOM 0 HB VAL A 8 0.020 -0.466 9.740 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.299 0.081 12.139 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.795 0.350 11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.785 1.734 11.695 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.894 0.343 11.084 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.526 2.011 10.584 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.033 0.810 9.372 1.00 0.00 H new ATOM 142 N PRO A 9 3.147 1.507 8.979 1.00 0.00 N ATOM 143 CA PRO A 9 3.170 2.778 9.736 1.00 0.00 C ATOM 144 C PRO A 9 2.811 3.977 8.856 1.00 0.00 C ATOM 145 O PRO A 9 2.753 3.855 7.630 1.00 0.00 O ATOM 146 CB PRO A 9 4.619 2.870 10.215 1.00 0.00 C ATOM 147 CG PRO A 9 5.398 2.155 9.169 1.00 0.00 C ATOM 148 CD PRO A 9 4.517 1.032 8.689 1.00 0.00 C ATOM 0 HA PRO A 9 2.440 2.794 10.545 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.941 3.907 10.312 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.745 2.405 11.193 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.657 2.825 8.349 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.334 1.771 9.574 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.657 0.841 7.625 1.00 0.00 H new ATOM 0 HD3 PRO A 9 4.736 0.101 9.211 1.00 0.00 H new ATOM 156 N SER A 10 2.579 5.137 9.487 1.00 0.00 N ATOM 157 CA SER A 10 2.235 6.361 8.755 1.00 0.00 C ATOM 158 C SER A 10 3.424 6.836 7.923 1.00 0.00 C ATOM 159 O SER A 10 3.273 7.189 6.752 1.00 0.00 O ATOM 160 CB SER A 10 1.797 7.466 9.722 1.00 0.00 C ATOM 161 OG SER A 10 2.610 7.482 10.883 1.00 0.00 O ATOM 0 H SER A 10 2.623 5.252 10.500 1.00 0.00 H new ATOM 0 HA SER A 10 1.404 6.135 8.087 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.852 8.433 9.222 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.756 7.313 10.006 1.00 0.00 H new ATOM 0 HG SER A 10 2.310 8.197 11.482 1.00 0.00 H new ATOM 167 N GLN A 11 4.612 6.820 8.537 1.00 0.00 N ATOM 168 CA GLN A 11 5.848 7.224 7.866 1.00 0.00 C ATOM 169 C GLN A 11 6.942 6.194 8.144 1.00 0.00 C ATOM 170 O GLN A 11 7.448 6.104 9.266 1.00 0.00 O ATOM 171 CB GLN A 11 6.297 8.621 8.321 1.00 0.00 C ATOM 172 CG GLN A 11 6.236 8.842 9.826 1.00 0.00 C ATOM 173 CD GLN A 11 7.072 10.028 10.277 1.00 0.00 C ATOM 174 OE1 GLN A 11 6.537 11.031 10.751 1.00 0.00 O ATOM 175 NE2 GLN A 11 8.392 9.924 10.133 1.00 0.00 N ATOM 0 H GLN A 11 4.742 6.529 9.506 1.00 0.00 H new ATOM 0 HA GLN A 11 5.661 7.271 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.319 8.789 7.983 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.672 9.368 7.831 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.199 8.998 10.125 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.583 7.943 10.336 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.796 9.076 9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.998 10.692 10.420 1.00 0.00 H new ATOM 184 N GLY A 12 7.276 5.399 7.122 1.00 0.00 N ATOM 185 CA GLY A 12 8.278 4.357 7.273 1.00 0.00 C ATOM 186 C GLY A 12 9.708 4.838 7.096 1.00 0.00 C ATOM 187 O GLY A 12 9.952 5.886 6.501 1.00 0.00 O ATOM 0 H GLY A 12 6.866 5.462 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.176 3.911 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.079 3.569 6.547 1.00 0.00 H new ATOM 191 N GLU A 13 10.653 4.044 7.613 1.00 0.00 N ATOM 192 CA GLU A 13 12.083 4.343 7.521 1.00 0.00 C ATOM 193 C GLU A 13 12.877 3.040 7.613 1.00 0.00 C ATOM 194 O GLU A 13 13.005 2.465 8.696 1.00 0.00 O ATOM 195 CB GLU A 13 12.510 5.301 8.638 1.00 0.00 C ATOM 196 CG GLU A 13 12.226 6.764 8.336 1.00 0.00 C ATOM 197 CD GLU A 13 12.637 7.685 9.469 1.00 0.00 C ATOM 198 OE1 GLU A 13 12.176 7.465 10.610 1.00 0.00 O ATOM 199 OE2 GLU A 13 13.417 8.627 9.217 1.00 0.00 O ATOM 0 H GLU A 13 10.445 3.176 8.107 1.00 0.00 H new ATOM 0 HA GLU A 13 12.284 4.827 6.565 1.00 0.00 H new ATOM 0 HB2 GLU A 13 11.995 5.023 9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.578 5.178 8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.755 7.053 7.428 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.162 6.890 8.138 1.00 0.00 H new ATOM 206 N ILE A 14 13.381 2.562 6.470 1.00 0.00 N ATOM 207 CA ILE A 14 14.132 1.302 6.415 1.00 0.00 C ATOM 208 C ILE A 14 15.479 1.490 5.704 1.00 0.00 C ATOM 209 O ILE A 14 15.673 2.458 4.980 1.00 0.00 O ATOM 210 CB ILE A 14 13.272 0.216 5.689 1.00 0.00 C ATOM 211 CG1 ILE A 14 11.962 -0.021 6.466 1.00 0.00 C ATOM 212 CG2 ILE A 14 14.024 -1.105 5.485 1.00 0.00 C ATOM 213 CD1 ILE A 14 10.798 0.801 5.954 1.00 0.00 C ATOM 0 H ILE A 14 13.282 3.029 5.569 1.00 0.00 H new ATOM 0 HA ILE A 14 14.342 0.974 7.433 1.00 0.00 H new ATOM 0 HB ILE A 14 13.045 0.598 4.694 1.00 0.00 H new ATOM 0 HG12 ILE A 14 11.702 -1.078 6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 14 12.126 0.212 7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.375 -1.818 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 14 14.913 -0.928 4.880 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.319 -1.509 6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.910 0.583 6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.038 1.861 6.035 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.607 0.551 4.910 1.00 0.00 H new ATOM 225 N SER A 15 16.401 0.544 5.912 1.00 0.00 N ATOM 226 CA SER A 15 17.718 0.590 5.277 1.00 0.00 C ATOM 227 C SER A 15 17.709 -0.243 3.995 1.00 0.00 C ATOM 228 O SER A 15 16.946 -1.212 3.878 1.00 0.00 O ATOM 229 CB SER A 15 18.808 0.072 6.230 1.00 0.00 C ATOM 230 OG SER A 15 18.280 -0.828 7.190 1.00 0.00 O ATOM 0 H SER A 15 16.257 -0.264 6.517 1.00 0.00 H new ATOM 0 HA SER A 15 17.942 1.628 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 15 19.588 -0.426 5.654 1.00 0.00 H new ATOM 0 HB3 SER A 15 19.276 0.914 6.739 1.00 0.00 H new ATOM 0 HG SER A 15 19.000 -1.139 7.778 1.00 0.00 H new ATOM 236 N VAL A 16 18.581 0.117 3.043 1.00 0.00 N ATOM 237 CA VAL A 16 18.679 -0.620 1.777 1.00 0.00 C ATOM 238 C VAL A 16 19.170 -2.041 2.048 1.00 0.00 C ATOM 239 O VAL A 16 20.018 -2.254 2.918 1.00 0.00 O ATOM 240 CB VAL A 16 19.611 0.079 0.750 1.00 0.00 C ATOM 241 CG1 VAL A 16 19.565 -0.622 -0.605 1.00 0.00 C ATOM 242 CG2 VAL A 16 19.232 1.545 0.586 1.00 0.00 C ATOM 0 H VAL A 16 19.222 0.906 3.124 1.00 0.00 H new ATOM 0 HA VAL A 16 17.683 -0.646 1.336 1.00 0.00 H new ATOM 0 HB VAL A 16 20.628 0.017 1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.228 -0.110 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.889 -1.657 -0.491 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.546 -0.601 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.898 2.014 -0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.203 1.618 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.323 2.054 1.546 1.00 0.00 H new ATOM 252 N GLY A 17 18.586 -3.007 1.336 1.00 0.00 N ATOM 253 CA GLY A 17 18.923 -4.404 1.548 1.00 0.00 C ATOM 254 C GLY A 17 17.934 -5.089 2.490 1.00 0.00 C ATOM 255 O GLY A 17 17.836 -6.318 2.496 1.00 0.00 O ATOM 0 H GLY A 17 17.884 -2.843 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 17 18.933 -4.925 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 17 19.929 -4.477 1.961 1.00 0.00 H new ATOM 259 N GLU A 18 17.187 -4.290 3.280 1.00 0.00 N ATOM 260 CA GLU A 18 16.196 -4.819 4.209 1.00 0.00 C ATOM 261 C GLU A 18 14.823 -4.767 3.556 1.00 0.00 C ATOM 262 O GLU A 18 14.624 -4.018 2.595 1.00 0.00 O ATOM 263 CB GLU A 18 16.170 -4.000 5.510 1.00 0.00 C ATOM 264 CG GLU A 18 17.537 -3.615 6.048 1.00 0.00 C ATOM 265 CD GLU A 18 18.336 -4.811 6.528 1.00 0.00 C ATOM 266 OE1 GLU A 18 18.026 -5.330 7.621 1.00 0.00 O ATOM 267 OE2 GLU A 18 19.270 -5.226 5.813 1.00 0.00 O ATOM 0 H GLU A 18 17.260 -3.273 3.284 1.00 0.00 H new ATOM 0 HA GLU A 18 16.461 -5.848 4.453 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.593 -3.091 5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.643 -4.573 6.273 1.00 0.00 H new ATOM 0 HG2 GLU A 18 18.097 -3.098 5.269 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.414 -2.912 6.871 1.00 0.00 H new ATOM 274 N SER A 19 13.873 -5.550 4.076 1.00 0.00 N ATOM 275 CA SER A 19 12.517 -5.564 3.528 1.00 0.00 C ATOM 276 C SER A 19 11.611 -4.628 4.325 1.00 0.00 C ATOM 277 O SER A 19 11.958 -4.221 5.436 1.00 0.00 O ATOM 278 CB SER A 19 11.954 -6.982 3.503 1.00 0.00 C ATOM 279 OG SER A 19 11.838 -7.515 4.810 1.00 0.00 O ATOM 0 H SER A 19 14.017 -6.176 4.868 1.00 0.00 H new ATOM 0 HA SER A 19 12.558 -5.205 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.976 -6.978 3.022 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.602 -7.622 2.904 1.00 0.00 H new ATOM 0 HG SER A 19 11.473 -8.423 4.762 1.00 0.00 H new ATOM 285 N LYS A 20 10.466 -4.263 3.739 1.00 0.00 N ATOM 286 CA LYS A 20 9.528 -3.338 4.382 1.00 0.00 C ATOM 287 C LYS A 20 8.103 -3.537 3.871 1.00 0.00 C ATOM 288 O LYS A 20 7.825 -3.278 2.698 1.00 0.00 O ATOM 289 CB LYS A 20 9.963 -1.885 4.108 1.00 0.00 C ATOM 290 CG LYS A 20 10.206 -1.597 2.629 1.00 0.00 C ATOM 291 CD LYS A 20 11.229 -0.490 2.394 1.00 0.00 C ATOM 292 CE LYS A 20 10.570 0.863 2.161 1.00 0.00 C ATOM 293 NZ LYS A 20 10.238 1.128 0.716 1.00 0.00 N ATOM 0 H LYS A 20 10.167 -4.594 2.822 1.00 0.00 H new ATOM 0 HA LYS A 20 9.541 -3.542 5.453 1.00 0.00 H new ATOM 0 HB2 LYS A 20 9.196 -1.207 4.482 1.00 0.00 H new ATOM 0 HB3 LYS A 20 10.875 -1.674 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 20 10.547 -2.509 2.139 1.00 0.00 H new ATOM 0 HG3 LYS A 20 9.263 -1.317 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 20 11.895 -0.424 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 20 11.846 -0.745 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.656 0.920 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 20 11.233 1.649 2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.571 2.077 0.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.705 0.418 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 9.208 1.072 0.580 1.00 0.00 H new ATOM 307 N PHE A 21 7.191 -3.972 4.758 1.00 0.00 N ATOM 308 CA PHE A 21 5.783 -4.171 4.381 1.00 0.00 C ATOM 309 C PHE A 21 4.886 -3.143 5.061 1.00 0.00 C ATOM 310 O PHE A 21 5.094 -2.803 6.229 1.00 0.00 O ATOM 311 CB PHE A 21 5.301 -5.594 4.687 1.00 0.00 C ATOM 312 CG PHE A 21 5.317 -5.985 6.134 1.00 0.00 C ATOM 313 CD1 PHE A 21 4.275 -5.632 6.979 1.00 0.00 C ATOM 314 CD2 PHE A 21 6.369 -6.724 6.637 1.00 0.00 C ATOM 315 CE1 PHE A 21 4.288 -6.012 8.307 1.00 0.00 C ATOM 316 CE2 PHE A 21 6.391 -7.106 7.965 1.00 0.00 C ATOM 317 CZ PHE A 21 5.349 -6.749 8.803 1.00 0.00 C ATOM 0 H PHE A 21 7.402 -4.190 5.732 1.00 0.00 H new ATOM 0 HA PHE A 21 5.718 -4.029 3.302 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.284 -5.703 4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.923 -6.296 4.132 1.00 0.00 H new ATOM 0 HD1 PHE A 21 3.447 -5.055 6.595 1.00 0.00 H new ATOM 0 HD2 PHE A 21 7.183 -7.007 5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.471 -5.734 8.957 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.220 -7.682 8.348 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.364 -7.045 9.842 1.00 0.00 H new ATOM 327 N PHE A 22 3.890 -2.642 4.320 1.00 0.00 N ATOM 328 CA PHE A 22 2.953 -1.636 4.846 1.00 0.00 C ATOM 329 C PHE A 22 1.526 -2.178 4.858 1.00 0.00 C ATOM 330 O PHE A 22 0.955 -2.484 3.813 1.00 0.00 O ATOM 331 CB PHE A 22 3.068 -0.350 4.029 1.00 0.00 C ATOM 332 CG PHE A 22 4.454 0.221 4.094 1.00 0.00 C ATOM 333 CD1 PHE A 22 5.445 -0.245 3.247 1.00 0.00 C ATOM 334 CD2 PHE A 22 4.776 1.188 5.032 1.00 0.00 C ATOM 335 CE1 PHE A 22 6.734 0.246 3.331 1.00 0.00 C ATOM 336 CE2 PHE A 22 6.060 1.688 5.116 1.00 0.00 C ATOM 337 CZ PHE A 22 7.042 1.215 4.266 1.00 0.00 C ATOM 0 H PHE A 22 3.710 -2.916 3.354 1.00 0.00 H new ATOM 0 HA PHE A 22 3.214 -1.406 5.879 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.805 -0.553 2.991 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.353 0.384 4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.208 -1.001 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.015 1.555 5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.499 -0.127 2.667 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.297 2.448 5.845 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.048 1.602 4.333 1.00 0.00 H new ATOM 347 N LEU A 23 0.977 -2.334 6.063 1.00 0.00 N ATOM 348 CA LEU A 23 -0.363 -2.898 6.244 1.00 0.00 C ATOM 349 C LEU A 23 -1.493 -1.896 5.995 1.00 0.00 C ATOM 350 O LEU A 23 -1.708 -0.987 6.793 1.00 0.00 O ATOM 351 CB LEU A 23 -0.481 -3.468 7.660 1.00 0.00 C ATOM 352 CG LEU A 23 -1.616 -4.465 7.874 1.00 0.00 C ATOM 353 CD1 LEU A 23 -1.477 -5.646 6.923 1.00 0.00 C ATOM 354 CD2 LEU A 23 -1.631 -4.944 9.316 1.00 0.00 C ATOM 0 H LEU A 23 1.442 -2.076 6.933 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.480 -3.681 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.460 -3.955 7.917 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.612 -2.640 8.357 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.561 -3.964 7.663 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.295 -6.346 7.090 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.509 -5.290 5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.527 -6.149 7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.446 -5.655 9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.683 -5.429 9.548 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.775 -4.092 9.981 1.00 0.00 H new ATOM 366 N CYS A 24 -2.240 -2.099 4.899 1.00 0.00 N ATOM 367 CA CYS A 24 -3.375 -1.234 4.563 1.00 0.00 C ATOM 368 C CYS A 24 -4.669 -1.805 5.136 1.00 0.00 C ATOM 369 O CYS A 24 -5.293 -2.680 4.531 1.00 0.00 O ATOM 370 CB CYS A 24 -3.509 -1.064 3.044 1.00 0.00 C ATOM 371 SG CYS A 24 -4.380 0.455 2.535 1.00 0.00 S ATOM 0 H CYS A 24 -2.077 -2.854 4.233 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.190 -0.255 5.005 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.513 -1.064 2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.039 -1.926 2.639 1.00 0.00 H new ATOM 376 N GLN A 25 -5.068 -1.293 6.303 1.00 0.00 N ATOM 377 CA GLN A 25 -6.293 -1.733 6.964 1.00 0.00 C ATOM 378 C GLN A 25 -7.469 -0.918 6.448 1.00 0.00 C ATOM 379 O GLN A 25 -7.269 0.129 5.826 1.00 0.00 O ATOM 380 CB GLN A 25 -6.172 -1.580 8.484 1.00 0.00 C ATOM 381 CG GLN A 25 -5.374 -2.691 9.145 1.00 0.00 C ATOM 382 CD GLN A 25 -4.799 -2.274 10.489 1.00 0.00 C ATOM 383 OE1 GLN A 25 -5.540 -1.932 11.410 1.00 0.00 O ATOM 384 NE2 GLN A 25 -3.473 -2.299 10.611 1.00 0.00 N ATOM 0 H GLN A 25 -4.556 -0.570 6.809 1.00 0.00 H new ATOM 0 HA GLN A 25 -6.456 -2.787 6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.701 -0.623 8.708 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.171 -1.553 8.919 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.015 -3.562 9.282 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.562 -2.993 8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.894 -2.589 9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.037 -2.028 11.492 1.00 0.00 H new ATOM 393 N VAL A 26 -8.694 -1.397 6.690 1.00 0.00 N ATOM 394 CA VAL A 26 -9.883 -0.693 6.220 1.00 0.00 C ATOM 395 C VAL A 26 -11.074 -0.860 7.163 1.00 0.00 C ATOM 396 O VAL A 26 -11.002 -1.599 8.147 1.00 0.00 O ATOM 397 CB VAL A 26 -10.278 -1.162 4.802 1.00 0.00 C ATOM 398 CG1 VAL A 26 -9.181 -0.821 3.808 1.00 0.00 C ATOM 399 CG2 VAL A 26 -10.566 -2.657 4.772 1.00 0.00 C ATOM 0 H VAL A 26 -8.883 -2.259 7.202 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.623 0.365 6.195 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.191 -0.637 4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.474 -1.158 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.025 0.258 3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.256 -1.318 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.841 -2.954 3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.676 -3.205 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.387 -2.883 5.452 1.00 0.00 H new ATOM 409 N ALA A 27 -12.171 -0.171 6.836 1.00 0.00 N ATOM 410 CA ALA A 27 -13.392 -0.235 7.632 1.00 0.00 C ATOM 411 C ALA A 27 -14.601 0.174 6.795 1.00 0.00 C ATOM 412 O ALA A 27 -14.584 1.223 6.145 1.00 0.00 O ATOM 413 CB ALA A 27 -13.270 0.642 8.872 1.00 0.00 C ATOM 0 H ALA A 27 -12.235 0.439 6.021 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.537 -1.265 7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.190 0.581 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.434 0.298 9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.099 1.676 8.571 1.00 0.00 H new ATOM 504 N ASP A 34 -12.592 -2.953 -3.336 1.00 0.00 N ATOM 505 CA ASP A 34 -11.385 -3.280 -4.100 1.00 0.00 C ATOM 506 C ASP A 34 -10.182 -2.523 -3.538 1.00 0.00 C ATOM 507 O ASP A 34 -10.352 -1.465 -2.934 1.00 0.00 O ATOM 508 CB ASP A 34 -11.577 -2.936 -5.579 1.00 0.00 C ATOM 509 CG ASP A 34 -12.680 -3.752 -6.221 1.00 0.00 C ATOM 510 OD1 ASP A 34 -13.859 -3.355 -6.102 1.00 0.00 O ATOM 511 OD2 ASP A 34 -12.367 -4.790 -6.841 1.00 0.00 O ATOM 0 HA ASP A 34 -11.201 -4.351 -4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.809 -1.875 -5.676 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.643 -3.108 -6.114 1.00 0.00 H new ATOM 516 N ILE A 35 -8.974 -3.077 -3.732 1.00 0.00 N ATOM 517 CA ILE A 35 -7.733 -2.464 -3.235 1.00 0.00 C ATOM 518 C ILE A 35 -6.711 -2.276 -4.371 1.00 0.00 C ATOM 519 O ILE A 35 -6.611 -3.111 -5.273 1.00 0.00 O ATOM 520 CB ILE A 35 -7.103 -3.339 -2.104 1.00 0.00 C ATOM 521 CG1 ILE A 35 -8.106 -3.534 -0.958 1.00 0.00 C ATOM 522 CG2 ILE A 35 -5.780 -2.754 -1.571 1.00 0.00 C ATOM 523 CD1 ILE A 35 -8.994 -4.749 -1.132 1.00 0.00 C ATOM 0 H ILE A 35 -8.831 -3.954 -4.233 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.989 -1.484 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.867 -4.308 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.560 -3.625 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.732 -2.645 -0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.386 -3.401 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.058 -2.688 -2.385 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.960 -1.759 -1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.677 -4.825 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.567 -4.652 -2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.377 -5.646 -1.181 1.00 0.00 H new ATOM 535 N SER A 36 -5.946 -1.178 -4.300 1.00 0.00 N ATOM 536 CA SER A 36 -4.915 -0.871 -5.292 1.00 0.00 C ATOM 537 C SER A 36 -3.712 -0.210 -4.613 1.00 0.00 C ATOM 538 O SER A 36 -3.870 0.467 -3.600 1.00 0.00 O ATOM 539 CB SER A 36 -5.480 0.050 -6.376 1.00 0.00 C ATOM 540 OG SER A 36 -6.244 -0.682 -7.320 1.00 0.00 O ATOM 0 H SER A 36 -6.026 -0.484 -3.557 1.00 0.00 H new ATOM 0 HA SER A 36 -4.590 -1.801 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.102 0.818 -5.917 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.663 0.563 -6.884 1.00 0.00 H new ATOM 0 HG SER A 36 -6.443 -1.572 -6.960 1.00 0.00 H new ATOM 546 N TRP A 37 -2.509 -0.419 -5.170 1.00 0.00 N ATOM 547 CA TRP A 37 -1.272 0.151 -4.609 1.00 0.00 C ATOM 548 C TRP A 37 -0.505 0.950 -5.664 1.00 0.00 C ATOM 549 O TRP A 37 -0.136 0.396 -6.699 1.00 0.00 O ATOM 550 CB TRP A 37 -0.373 -0.971 -4.079 1.00 0.00 C ATOM 551 CG TRP A 37 -0.678 -1.376 -2.670 1.00 0.00 C ATOM 552 CD1 TRP A 37 -1.434 -2.441 -2.274 1.00 0.00 C ATOM 553 CD2 TRP A 37 -0.237 -0.728 -1.468 1.00 0.00 C ATOM 554 NE1 TRP A 37 -1.488 -2.499 -0.904 1.00 0.00 N ATOM 555 CE2 TRP A 37 -0.765 -1.458 -0.386 1.00 0.00 C ATOM 556 CE3 TRP A 37 0.552 0.396 -1.199 1.00 0.00 C ATOM 557 CZ2 TRP A 37 -0.526 -1.103 0.940 1.00 0.00 C ATOM 558 CZ3 TRP A 37 0.785 0.751 0.119 1.00 0.00 C ATOM 559 CH2 TRP A 37 0.249 0.003 1.173 1.00 0.00 C ATOM 0 H TRP A 37 -2.366 -0.980 -6.010 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.551 0.821 -3.796 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.474 -1.841 -4.727 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.667 -0.649 -4.138 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.919 -3.137 -2.942 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.986 -3.203 -0.360 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.972 0.977 -2.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -0.937 -1.679 1.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.390 1.619 0.337 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.450 0.303 2.191 1.00 0.00 H new ATOM 570 N PHE A 38 -0.251 2.243 -5.389 1.00 0.00 N ATOM 571 CA PHE A 38 0.487 3.108 -6.331 1.00 0.00 C ATOM 572 C PHE A 38 1.772 3.663 -5.736 1.00 0.00 C ATOM 573 O PHE A 38 1.731 4.512 -4.847 1.00 0.00 O ATOM 574 CB PHE A 38 -0.358 4.299 -6.777 1.00 0.00 C ATOM 575 CG PHE A 38 -1.644 3.928 -7.437 1.00 0.00 C ATOM 576 CD1 PHE A 38 -2.717 3.485 -6.692 1.00 0.00 C ATOM 577 CD2 PHE A 38 -1.770 4.021 -8.805 1.00 0.00 C ATOM 578 CE1 PHE A 38 -3.906 3.141 -7.305 1.00 0.00 C ATOM 579 CE2 PHE A 38 -2.951 3.679 -9.432 1.00 0.00 C ATOM 580 CZ PHE A 38 -4.023 3.235 -8.680 1.00 0.00 C ATOM 0 H PHE A 38 -0.543 2.709 -4.530 1.00 0.00 H new ATOM 0 HA PHE A 38 0.726 2.465 -7.178 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.575 4.921 -5.908 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.228 4.907 -7.466 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.627 3.406 -5.619 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.934 4.366 -9.395 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.742 2.800 -6.712 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.037 3.758 -10.506 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.949 2.962 -9.165 1.00 0.00 H new ATOM 590 N SER A 39 2.917 3.225 -6.271 1.00 0.00 N ATOM 591 CA SER A 39 4.227 3.719 -5.824 1.00 0.00 C ATOM 592 C SER A 39 4.290 5.255 -5.942 1.00 0.00 C ATOM 593 O SER A 39 3.625 5.822 -6.828 1.00 0.00 O ATOM 594 CB SER A 39 5.356 3.092 -6.645 1.00 0.00 C ATOM 595 OG SER A 39 5.174 1.695 -6.787 1.00 0.00 O ATOM 0 H SER A 39 2.964 2.529 -7.015 1.00 0.00 H new ATOM 0 HA SER A 39 4.355 3.434 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.394 3.558 -7.630 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.313 3.289 -6.162 1.00 0.00 H new ATOM 0 HG SER A 39 5.909 1.322 -7.317 1.00 0.00 H new ATOM 601 N PRO A 40 5.097 5.943 -5.058 1.00 0.00 N ATOM 602 CA PRO A 40 5.273 7.418 -5.019 1.00 0.00 C ATOM 603 C PRO A 40 5.150 8.088 -6.392 1.00 0.00 C ATOM 604 O PRO A 40 4.120 8.699 -6.693 1.00 0.00 O ATOM 605 CB PRO A 40 6.687 7.583 -4.402 1.00 0.00 C ATOM 606 CG PRO A 40 7.168 6.190 -4.108 1.00 0.00 C ATOM 607 CD PRO A 40 5.936 5.342 -4.016 1.00 0.00 C ATOM 0 HA PRO A 40 4.490 7.911 -4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.359 8.091 -5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.650 8.184 -3.494 1.00 0.00 H new ATOM 0 HG2 PRO A 40 7.831 5.831 -4.895 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.733 6.160 -3.177 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.145 4.290 -4.212 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.472 5.397 -3.031 1.00 0.00 H new ATOM 651 N LYS A 44 0.459 2.593 -10.175 1.00 0.00 N ATOM 652 CA LYS A 44 0.107 1.241 -9.721 1.00 0.00 C ATOM 653 C LYS A 44 1.185 0.195 -10.031 1.00 0.00 C ATOM 654 O LYS A 44 1.418 -0.159 -11.188 1.00 0.00 O ATOM 655 CB LYS A 44 -1.269 0.800 -10.239 1.00 0.00 C ATOM 656 CG LYS A 44 -2.178 0.278 -9.126 1.00 0.00 C ATOM 657 CD LYS A 44 -3.330 -0.543 -9.679 1.00 0.00 C ATOM 658 CE LYS A 44 -4.466 0.346 -10.160 1.00 0.00 C ATOM 659 NZ LYS A 44 -5.359 -0.365 -11.115 1.00 0.00 N ATOM 0 HA LYS A 44 0.048 1.304 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.754 1.642 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.138 0.021 -10.990 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.595 -0.332 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.572 1.118 -8.554 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.975 -1.160 -10.504 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.698 -1.221 -8.909 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.048 0.687 -9.304 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.054 1.234 -10.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.121 0.274 -11.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.809 -0.669 -11.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.772 -1.198 -10.649 1.00 0.00 H new ATOM 673 N LEU A 45 1.839 -0.279 -8.962 1.00 0.00 N ATOM 674 CA LEU A 45 2.902 -1.273 -9.071 1.00 0.00 C ATOM 675 C LEU A 45 2.329 -2.689 -9.128 1.00 0.00 C ATOM 676 O LEU A 45 1.333 -2.990 -8.465 1.00 0.00 O ATOM 677 CB LEU A 45 3.873 -1.137 -7.888 1.00 0.00 C ATOM 678 CG LEU A 45 3.253 -1.355 -6.491 1.00 0.00 C ATOM 679 CD1 LEU A 45 3.383 -2.808 -6.058 1.00 0.00 C ATOM 680 CD2 LEU A 45 3.895 -0.437 -5.452 1.00 0.00 C ATOM 0 H LEU A 45 1.644 0.017 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 45 3.444 -1.093 -9.999 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.684 -1.853 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.318 -0.142 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 45 2.194 -1.107 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.939 -2.935 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.867 -3.448 -6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.437 -3.083 -6.019 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.438 -0.614 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.964 -0.644 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.742 0.603 -5.741 1.00 0.00 H new ATOM 692 N SER A 46 2.963 -3.549 -9.933 1.00 0.00 N ATOM 693 CA SER A 46 2.521 -4.937 -10.092 1.00 0.00 C ATOM 694 C SER A 46 2.699 -5.729 -8.790 1.00 0.00 C ATOM 695 O SER A 46 3.599 -5.430 -8.003 1.00 0.00 O ATOM 696 CB SER A 46 3.292 -5.620 -11.226 1.00 0.00 C ATOM 697 OG SER A 46 2.878 -5.132 -12.491 1.00 0.00 O ATOM 0 H SER A 46 3.786 -3.306 -10.485 1.00 0.00 H new ATOM 0 HA SER A 46 1.460 -4.920 -10.342 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.361 -5.448 -11.098 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.135 -6.698 -11.179 1.00 0.00 H new ATOM 0 HG SER A 46 3.386 -5.582 -13.198 1.00 0.00 H new ATOM 703 N PRO A 47 1.840 -6.755 -8.537 1.00 0.00 N ATOM 704 CA PRO A 47 1.923 -7.572 -7.316 1.00 0.00 C ATOM 705 C PRO A 47 3.018 -8.647 -7.366 1.00 0.00 C ATOM 706 O PRO A 47 3.369 -9.215 -6.328 1.00 0.00 O ATOM 707 CB PRO A 47 0.539 -8.220 -7.255 1.00 0.00 C ATOM 708 CG PRO A 47 0.155 -8.391 -8.681 1.00 0.00 C ATOM 709 CD PRO A 47 0.720 -7.199 -9.406 1.00 0.00 C ATOM 0 HA PRO A 47 2.186 -6.970 -6.446 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.569 -9.176 -6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.173 -7.589 -6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.557 -9.320 -9.085 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.928 -8.438 -8.791 1.00 0.00 H new ATOM 0 HD2 PRO A 47 1.069 -7.466 -10.404 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -0.027 -6.414 -9.529 1.00 0.00 H new ATOM 717 N ASN A 48 3.551 -8.932 -8.565 1.00 0.00 N ATOM 718 CA ASN A 48 4.598 -9.946 -8.727 1.00 0.00 C ATOM 719 C ASN A 48 5.706 -9.447 -9.666 1.00 0.00 C ATOM 720 O ASN A 48 6.260 -10.217 -10.459 1.00 0.00 O ATOM 721 CB ASN A 48 3.980 -11.250 -9.255 1.00 0.00 C ATOM 722 CG ASN A 48 3.244 -11.059 -10.571 1.00 0.00 C ATOM 723 OD1 ASN A 48 3.775 -10.463 -11.508 1.00 0.00 O ATOM 724 ND2 ASN A 48 2.013 -11.563 -10.651 1.00 0.00 N ATOM 0 H ASN A 48 3.273 -8.474 -9.433 1.00 0.00 H new ATOM 0 HA ASN A 48 5.052 -10.139 -7.755 1.00 0.00 H new ATOM 0 HB2 ASN A 48 4.767 -11.993 -9.388 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.289 -11.647 -8.511 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.475 -11.461 -11.512 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.609 -12.050 -9.851 1.00 0.00 H new ATOM 731 N GLN A 49 6.025 -8.148 -9.571 1.00 0.00 N ATOM 732 CA GLN A 49 7.068 -7.541 -10.417 1.00 0.00 C ATOM 733 C GLN A 49 8.440 -8.190 -10.182 1.00 0.00 C ATOM 734 O GLN A 49 8.899 -8.975 -11.017 1.00 0.00 O ATOM 735 CB GLN A 49 7.150 -6.005 -10.234 1.00 0.00 C ATOM 736 CG GLN A 49 6.888 -5.490 -8.815 1.00 0.00 C ATOM 737 CD GLN A 49 7.888 -4.438 -8.365 1.00 0.00 C ATOM 738 OE1 GLN A 49 9.047 -4.747 -8.088 1.00 0.00 O ATOM 739 NE2 GLN A 49 7.442 -3.187 -8.284 1.00 0.00 N ATOM 0 H GLN A 49 5.580 -7.499 -8.922 1.00 0.00 H new ATOM 0 HA GLN A 49 6.777 -7.733 -11.450 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.141 -5.673 -10.544 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.432 -5.538 -10.908 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.883 -5.070 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.916 -6.329 -8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.473 -2.974 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.069 -2.441 -7.983 1.00 0.00 H new ATOM 748 N GLN A 50 9.090 -7.868 -9.056 1.00 0.00 N ATOM 749 CA GLN A 50 10.406 -8.434 -8.739 1.00 0.00 C ATOM 750 C GLN A 50 10.625 -8.507 -7.226 1.00 0.00 C ATOM 751 O GLN A 50 10.567 -9.587 -6.635 1.00 0.00 O ATOM 752 CB GLN A 50 11.564 -7.646 -9.418 1.00 0.00 C ATOM 753 CG GLN A 50 11.186 -6.896 -10.690 1.00 0.00 C ATOM 754 CD GLN A 50 12.377 -6.212 -11.340 1.00 0.00 C ATOM 755 OE1 GLN A 50 13.163 -5.546 -10.666 1.00 0.00 O ATOM 756 NE2 GLN A 50 12.518 -6.372 -12.654 1.00 0.00 N ATOM 0 H GLN A 50 8.728 -7.223 -8.354 1.00 0.00 H new ATOM 0 HA GLN A 50 10.418 -9.447 -9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.964 -6.930 -8.700 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.367 -8.344 -9.653 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.740 -7.593 -11.400 1.00 0.00 H new ATOM 0 HG3 GLN A 50 10.427 -6.150 -10.456 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.843 -6.932 -13.175 1.00 0.00 H new ATOM 0 HE22 GLN A 50 13.301 -5.934 -13.140 1.00 0.00 H new ATOM 765 N ARG A 51 10.895 -7.355 -6.615 1.00 0.00 N ATOM 766 CA ARG A 51 11.151 -7.265 -5.177 1.00 0.00 C ATOM 767 C ARG A 51 9.924 -6.798 -4.393 1.00 0.00 C ATOM 768 O ARG A 51 9.741 -7.189 -3.236 1.00 0.00 O ATOM 769 CB ARG A 51 12.336 -6.335 -4.934 1.00 0.00 C ATOM 770 CG ARG A 51 13.641 -6.862 -5.532 1.00 0.00 C ATOM 771 CD ARG A 51 14.470 -5.762 -6.184 1.00 0.00 C ATOM 772 NE ARG A 51 15.431 -6.299 -7.155 1.00 0.00 N ATOM 773 CZ ARG A 51 16.167 -5.557 -7.996 1.00 0.00 C ATOM 774 NH1 ARG A 51 16.061 -4.229 -8.025 1.00 0.00 N ATOM 775 NH2 ARG A 51 17.015 -6.158 -8.821 1.00 0.00 N ATOM 0 H ARG A 51 10.943 -6.459 -7.100 1.00 0.00 H new ATOM 0 HA ARG A 51 11.386 -8.265 -4.813 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.116 -5.356 -5.361 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.466 -6.193 -3.861 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.229 -7.340 -4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 51 13.414 -7.629 -6.273 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.807 -5.056 -6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.005 -5.207 -5.414 1.00 0.00 H new ATOM 0 HE ARG A 51 15.548 -7.312 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.410 -3.756 -7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 51 16.631 -3.686 -8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.102 -7.174 -8.811 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.580 -5.604 -9.465 1.00 0.00 H new ATOM 789 N ILE A 52 9.087 -5.961 -5.022 1.00 0.00 N ATOM 790 CA ILE A 52 7.875 -5.453 -4.371 1.00 0.00 C ATOM 791 C ILE A 52 6.698 -6.407 -4.627 1.00 0.00 C ATOM 792 O ILE A 52 6.144 -6.439 -5.727 1.00 0.00 O ATOM 793 CB ILE A 52 7.518 -4.010 -4.841 1.00 0.00 C ATOM 794 CG1 ILE A 52 8.724 -3.071 -4.614 1.00 0.00 C ATOM 795 CG2 ILE A 52 6.275 -3.494 -4.107 1.00 0.00 C ATOM 796 CD1 ILE A 52 8.453 -1.589 -4.878 1.00 0.00 C ATOM 0 H ILE A 52 9.227 -5.624 -5.975 1.00 0.00 H new ATOM 0 HA ILE A 52 8.073 -5.404 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 52 7.290 -4.032 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.064 -3.184 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.542 -3.395 -5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.043 -2.486 -4.449 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.431 -4.151 -4.315 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.467 -3.478 -3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.360 -1.014 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.146 -1.454 -5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.660 -1.241 -4.217 1.00 0.00 H new ATOM 808 N SER A 53 6.332 -7.181 -3.597 1.00 0.00 N ATOM 809 CA SER A 53 5.230 -8.143 -3.688 1.00 0.00 C ATOM 810 C SER A 53 4.018 -7.668 -2.881 1.00 0.00 C ATOM 811 O SER A 53 4.110 -7.474 -1.668 1.00 0.00 O ATOM 812 CB SER A 53 5.689 -9.512 -3.176 1.00 0.00 C ATOM 813 OG SER A 53 4.892 -10.554 -3.714 1.00 0.00 O ATOM 0 H SER A 53 6.788 -7.158 -2.685 1.00 0.00 H new ATOM 0 HA SER A 53 4.935 -8.226 -4.734 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.733 -9.673 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.634 -9.533 -2.088 1.00 0.00 H new ATOM 0 HG SER A 53 4.359 -10.206 -4.459 1.00 0.00 H new ATOM 819 N VAL A 54 2.884 -7.490 -3.566 1.00 0.00 N ATOM 820 CA VAL A 54 1.642 -7.047 -2.926 1.00 0.00 C ATOM 821 C VAL A 54 0.795 -8.263 -2.543 1.00 0.00 C ATOM 822 O VAL A 54 0.912 -9.318 -3.174 1.00 0.00 O ATOM 823 CB VAL A 54 0.814 -6.133 -3.870 1.00 0.00 C ATOM 824 CG1 VAL A 54 -0.388 -5.534 -3.149 1.00 0.00 C ATOM 825 CG2 VAL A 54 1.679 -5.027 -4.463 1.00 0.00 C ATOM 0 H VAL A 54 2.801 -7.647 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 54 1.910 -6.478 -2.036 1.00 0.00 H new ATOM 0 HB VAL A 54 0.447 -6.757 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.946 -4.900 -3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.033 -6.336 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.045 -4.938 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.072 -4.403 -5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.090 -4.416 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.494 -5.470 -5.035 1.00 0.00 H new ATOM 835 N VAL A 55 -0.063 -8.118 -1.522 1.00 0.00 N ATOM 836 CA VAL A 55 -0.928 -9.223 -1.090 1.00 0.00 C ATOM 837 C VAL A 55 -2.244 -8.730 -0.476 1.00 0.00 C ATOM 838 O VAL A 55 -2.432 -7.539 -0.239 1.00 0.00 O ATOM 839 CB VAL A 55 -0.219 -10.177 -0.082 1.00 0.00 C ATOM 840 CG1 VAL A 55 1.108 -10.662 -0.647 1.00 0.00 C ATOM 841 CG2 VAL A 55 -0.022 -9.521 1.292 1.00 0.00 C ATOM 0 H VAL A 55 -0.175 -7.257 -0.987 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.153 -9.781 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.871 -11.038 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.588 -11.327 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.932 -11.200 -1.578 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.756 -9.807 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.476 -10.222 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.591 -8.626 1.183 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.992 -9.248 1.708 1.00 0.00 H new ATOM 851 N TRP A 56 -3.123 -9.689 -0.192 1.00 0.00 N ATOM 852 CA TRP A 56 -4.418 -9.429 0.432 1.00 0.00 C ATOM 853 C TRP A 56 -4.682 -10.569 1.409 1.00 0.00 C ATOM 854 O TRP A 56 -4.654 -11.737 1.013 1.00 0.00 O ATOM 855 CB TRP A 56 -5.508 -9.307 -0.637 1.00 0.00 C ATOM 856 CG TRP A 56 -5.177 -8.247 -1.645 1.00 0.00 C ATOM 857 CD1 TRP A 56 -5.626 -6.956 -1.667 1.00 0.00 C ATOM 858 CD2 TRP A 56 -4.285 -8.381 -2.760 1.00 0.00 C ATOM 859 NE1 TRP A 56 -5.068 -6.285 -2.725 1.00 0.00 N ATOM 860 CE2 TRP A 56 -4.246 -7.137 -3.414 1.00 0.00 C ATOM 861 CE3 TRP A 56 -3.517 -9.432 -3.268 1.00 0.00 C ATOM 862 CZ2 TRP A 56 -3.469 -6.914 -4.546 1.00 0.00 C ATOM 863 CZ3 TRP A 56 -2.746 -9.209 -4.394 1.00 0.00 C ATOM 864 CH2 TRP A 56 -2.728 -7.957 -5.023 1.00 0.00 C ATOM 0 H TRP A 56 -2.955 -10.675 -0.390 1.00 0.00 H new ATOM 0 HA TRP A 56 -4.420 -8.483 0.973 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.631 -10.265 -1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.460 -9.073 -0.161 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -6.318 -6.528 -0.957 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.238 -5.307 -2.961 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -3.525 -10.400 -2.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.452 -5.949 -5.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.148 -10.013 -4.795 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.116 -7.814 -5.902 1.00 0.00 H new ATOM 875 N ASN A 57 -4.844 -10.242 2.699 1.00 0.00 N ATOM 876 CA ASN A 57 -4.999 -11.288 3.741 1.00 0.00 C ATOM 877 C ASN A 57 -6.422 -11.419 4.297 1.00 0.00 C ATOM 878 O ASN A 57 -7.157 -12.315 3.879 1.00 0.00 O ATOM 879 CB ASN A 57 -3.965 -11.096 4.886 1.00 0.00 C ATOM 880 CG ASN A 57 -3.561 -9.647 5.140 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.051 -9.010 6.071 1.00 0.00 O ATOM 882 ND2 ASN A 57 -2.658 -9.122 4.306 1.00 0.00 N ATOM 0 H ASN A 57 -4.872 -9.284 3.049 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.797 -12.233 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.379 -11.510 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.071 -11.673 4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.350 -8.157 4.429 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.277 -9.686 3.546 1.00 0.00 H new ATOM 889 N ASP A 58 -6.796 -10.564 5.265 1.00 0.00 N ATOM 890 CA ASP A 58 -8.127 -10.614 5.916 1.00 0.00 C ATOM 891 C ASP A 58 -9.277 -10.861 4.930 1.00 0.00 C ATOM 892 O ASP A 58 -9.954 -11.887 4.985 1.00 0.00 O ATOM 893 CB ASP A 58 -8.378 -9.313 6.695 1.00 0.00 C ATOM 894 CG ASP A 58 -9.196 -9.537 7.952 1.00 0.00 C ATOM 895 OD1 ASP A 58 -10.424 -9.733 7.835 1.00 0.00 O ATOM 896 OD2 ASP A 58 -8.609 -9.515 9.053 1.00 0.00 O ATOM 0 H ASP A 58 -6.193 -9.822 5.620 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.110 -11.465 6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.422 -8.864 6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.895 -8.602 6.051 1.00 0.00 H new ATOM 901 N ASP A 59 -9.467 -9.904 4.042 1.00 0.00 N ATOM 902 CA ASP A 59 -10.512 -9.948 3.007 1.00 0.00 C ATOM 903 C ASP A 59 -10.428 -8.665 2.183 1.00 0.00 C ATOM 904 O ASP A 59 -10.476 -8.689 0.953 1.00 0.00 O ATOM 905 CB ASP A 59 -11.915 -10.092 3.633 1.00 0.00 C ATOM 906 CG ASP A 59 -12.404 -11.530 3.644 1.00 0.00 C ATOM 907 OD1 ASP A 59 -12.679 -12.072 2.553 1.00 0.00 O ATOM 908 OD2 ASP A 59 -12.508 -12.112 4.743 1.00 0.00 O ATOM 0 H ASP A 59 -8.898 -9.058 4.009 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.351 -10.817 2.370 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.894 -9.711 4.654 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -12.622 -9.476 3.077 1.00 0.00 H new ATOM 913 N ASP A 60 -10.269 -7.546 2.899 1.00 0.00 N ATOM 914 CA ASP A 60 -10.139 -6.230 2.288 1.00 0.00 C ATOM 915 C ASP A 60 -8.744 -5.652 2.559 1.00 0.00 C ATOM 916 O ASP A 60 -8.174 -4.978 1.704 1.00 0.00 O ATOM 917 CB ASP A 60 -11.215 -5.283 2.828 1.00 0.00 C ATOM 918 CG ASP A 60 -12.632 -5.818 2.659 1.00 0.00 C ATOM 919 OD1 ASP A 60 -12.828 -6.788 1.892 1.00 0.00 O ATOM 920 OD2 ASP A 60 -13.549 -5.257 3.294 1.00 0.00 O ATOM 0 H ASP A 60 -10.228 -7.534 3.918 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.272 -6.334 1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.028 -5.098 3.886 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.134 -4.323 2.317 1.00 0.00 H new ATOM 925 N SER A 61 -8.195 -5.928 3.755 1.00 0.00 N ATOM 926 CA SER A 61 -6.864 -5.439 4.132 1.00 0.00 C ATOM 927 C SER A 61 -5.778 -6.065 3.254 1.00 0.00 C ATOM 928 O SER A 61 -5.809 -7.271 2.959 1.00 0.00 O ATOM 929 CB SER A 61 -6.578 -5.729 5.610 1.00 0.00 C ATOM 930 OG SER A 61 -5.245 -5.389 5.948 1.00 0.00 O ATOM 0 H SER A 61 -8.655 -6.487 4.474 1.00 0.00 H new ATOM 0 HA SER A 61 -6.851 -4.360 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.270 -5.165 6.235 1.00 0.00 H new ATOM 0 HB3 SER A 61 -6.751 -6.785 5.817 1.00 0.00 H new ATOM 0 HG SER A 61 -5.033 -4.502 5.589 1.00 0.00 H new ATOM 936 N SER A 62 -4.827 -5.228 2.822 1.00 0.00 N ATOM 937 CA SER A 62 -3.738 -5.661 1.953 1.00 0.00 C ATOM 938 C SER A 62 -2.384 -5.363 2.591 1.00 0.00 C ATOM 939 O SER A 62 -2.327 -4.925 3.739 1.00 0.00 O ATOM 940 CB SER A 62 -3.867 -4.930 0.614 1.00 0.00 C ATOM 941 OG SER A 62 -5.220 -4.875 0.201 1.00 0.00 O ATOM 0 H SER A 62 -4.795 -4.238 3.066 1.00 0.00 H new ATOM 0 HA SER A 62 -3.801 -6.738 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.469 -3.920 0.706 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.271 -5.440 -0.143 1.00 0.00 H new ATOM 0 HG SER A 62 -5.290 -5.173 -0.730 1.00 0.00 H new ATOM 947 N THR A 63 -1.301 -5.591 1.840 1.00 0.00 N ATOM 948 CA THR A 63 0.046 -5.325 2.336 1.00 0.00 C ATOM 949 C THR A 63 1.021 -5.106 1.183 1.00 0.00 C ATOM 950 O THR A 63 1.073 -5.899 0.238 1.00 0.00 O ATOM 951 CB THR A 63 0.550 -6.452 3.236 1.00 0.00 C ATOM 952 OG1 THR A 63 -0.465 -6.878 4.128 1.00 0.00 O ATOM 953 CG2 THR A 63 1.754 -6.048 4.062 1.00 0.00 C ATOM 0 H THR A 63 -1.335 -5.958 0.889 1.00 0.00 H new ATOM 0 HA THR A 63 -0.008 -4.413 2.931 1.00 0.00 H new ATOM 0 HB THR A 63 0.839 -7.260 2.564 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.121 -7.601 4.694 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.068 -6.888 4.682 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.570 -5.761 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.491 -5.204 4.700 1.00 0.00 H new ATOM 961 N LEU A 64 1.791 -4.021 1.275 1.00 0.00 N ATOM 962 CA LEU A 64 2.775 -3.658 0.267 1.00 0.00 C ATOM 963 C LEU A 64 4.168 -4.047 0.738 1.00 0.00 C ATOM 964 O LEU A 64 4.826 -3.273 1.440 1.00 0.00 O ATOM 965 CB LEU A 64 2.716 -2.142 0.028 1.00 0.00 C ATOM 966 CG LEU A 64 3.317 -1.563 -1.286 1.00 0.00 C ATOM 967 CD1 LEU A 64 4.273 -0.408 -0.979 1.00 0.00 C ATOM 968 CD2 LEU A 64 4.015 -2.622 -2.149 1.00 0.00 C ATOM 0 H LEU A 64 1.745 -3.369 2.058 1.00 0.00 H new ATOM 0 HA LEU A 64 2.555 -4.186 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.669 -1.842 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.221 -1.657 0.863 1.00 0.00 H new ATOM 0 HG LEU A 64 2.476 -1.190 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.682 -0.017 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.733 0.383 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.086 -0.767 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.412 -2.154 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.832 -3.071 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.298 -3.395 -2.428 1.00 0.00 H new ATOM 980 N THR A 65 4.611 -5.247 0.359 1.00 0.00 N ATOM 981 CA THR A 65 5.928 -5.739 0.756 1.00 0.00 C ATOM 982 C THR A 65 6.987 -5.296 -0.254 1.00 0.00 C ATOM 983 O THR A 65 6.753 -5.324 -1.459 1.00 0.00 O ATOM 984 CB THR A 65 5.926 -7.284 0.915 1.00 0.00 C ATOM 985 OG1 THR A 65 4.614 -7.813 0.811 1.00 0.00 O ATOM 986 CG2 THR A 65 6.484 -7.754 2.244 1.00 0.00 C ATOM 0 H THR A 65 4.077 -5.894 -0.221 1.00 0.00 H new ATOM 0 HA THR A 65 6.174 -5.308 1.727 1.00 0.00 H new ATOM 0 HB THR A 65 6.565 -7.643 0.108 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.435 -8.063 -0.119 1.00 0.00 H new ATOM 0 HG21 THR A 65 6.453 -8.843 2.287 1.00 0.00 H new ATOM 0 HG22 THR A 65 7.515 -7.416 2.345 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.886 -7.341 3.056 1.00 0.00 H new ATOM 994 N ILE A 66 8.149 -4.894 0.258 1.00 0.00 N ATOM 995 CA ILE A 66 9.274 -4.455 -0.567 1.00 0.00 C ATOM 996 C ILE A 66 10.540 -5.107 -0.008 1.00 0.00 C ATOM 997 O ILE A 66 11.228 -4.532 0.833 1.00 0.00 O ATOM 998 CB ILE A 66 9.407 -2.909 -0.576 1.00 0.00 C ATOM 999 CG1 ILE A 66 8.086 -2.258 -1.011 1.00 0.00 C ATOM 1000 CG2 ILE A 66 10.567 -2.450 -1.464 1.00 0.00 C ATOM 1001 CD1 ILE A 66 7.997 -0.786 -0.669 1.00 0.00 C ATOM 0 H ILE A 66 8.338 -4.863 1.260 1.00 0.00 H new ATOM 0 HA ILE A 66 9.113 -4.757 -1.602 1.00 0.00 H new ATOM 0 HB ILE A 66 9.630 -2.586 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.967 -2.381 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.257 -2.784 -0.537 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.630 -1.362 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.500 -2.874 -1.092 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.398 -2.787 -2.487 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.038 -0.392 -1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.084 -0.657 0.410 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.805 -0.248 -1.165 1.00 0.00 H new ATOM 1013 N TYR A 67 10.797 -6.342 -0.448 1.00 0.00 N ATOM 1014 CA TYR A 67 11.936 -7.146 0.035 1.00 0.00 C ATOM 1015 C TYR A 67 13.286 -6.415 0.002 1.00 0.00 C ATOM 1016 O TYR A 67 13.953 -6.284 1.030 1.00 0.00 O ATOM 1017 CB TYR A 67 12.039 -8.449 -0.777 1.00 0.00 C ATOM 1018 CG TYR A 67 10.734 -9.224 -0.884 1.00 0.00 C ATOM 1019 CD1 TYR A 67 9.882 -9.365 0.211 1.00 0.00 C ATOM 1020 CD2 TYR A 67 10.355 -9.810 -2.086 1.00 0.00 C ATOM 1021 CE1 TYR A 67 8.695 -10.065 0.105 1.00 0.00 C ATOM 1022 CE2 TYR A 67 9.170 -10.512 -2.196 1.00 0.00 C ATOM 1023 CZ TYR A 67 8.345 -10.637 -1.099 1.00 0.00 C ATOM 1024 OH TYR A 67 7.165 -11.337 -1.208 1.00 0.00 O ATOM 0 H TYR A 67 10.226 -6.817 -1.147 1.00 0.00 H new ATOM 0 HA TYR A 67 11.728 -7.355 1.084 1.00 0.00 H new ATOM 0 HB2 TYR A 67 12.390 -8.211 -1.781 1.00 0.00 H new ATOM 0 HB3 TYR A 67 12.792 -9.090 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.154 -8.920 1.157 1.00 0.00 H new ATOM 0 HD2 TYR A 67 10.998 -9.715 -2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 67 8.045 -10.163 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 67 8.891 -10.961 -3.138 1.00 0.00 H new ATOM 0 HH TYR A 67 7.068 -11.675 -2.123 1.00 0.00 H new ATOM 1034 N ASN A 68 13.690 -5.990 -1.185 1.00 0.00 N ATOM 1035 CA ASN A 68 14.975 -5.315 -1.384 1.00 0.00 C ATOM 1036 C ASN A 68 15.066 -3.980 -0.652 1.00 0.00 C ATOM 1037 O ASN A 68 15.880 -3.818 0.258 1.00 0.00 O ATOM 1038 CB ASN A 68 15.243 -5.104 -2.876 1.00 0.00 C ATOM 1039 CG ASN A 68 16.692 -4.756 -3.163 1.00 0.00 C ATOM 1040 OD1 ASN A 68 17.465 -5.606 -3.601 1.00 0.00 O ATOM 1041 ND2 ASN A 68 17.072 -3.504 -2.914 1.00 0.00 N ATOM 0 H ASN A 68 13.143 -6.100 -2.039 1.00 0.00 H new ATOM 0 HA ASN A 68 15.736 -5.969 -0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 68 14.975 -6.009 -3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 68 14.601 -4.306 -3.248 1.00 0.00 H new ATOM 0 HD21 ASN A 68 18.036 -3.220 -3.087 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.399 -2.829 -2.551 1.00 0.00 H new ATOM 1048 N ALA A 69 14.242 -3.020 -1.070 1.00 0.00 N ATOM 1049 CA ALA A 69 14.222 -1.668 -0.486 1.00 0.00 C ATOM 1050 C ALA A 69 15.440 -0.864 -0.934 1.00 0.00 C ATOM 1051 O ALA A 69 16.578 -1.241 -0.656 1.00 0.00 O ATOM 1052 CB ALA A 69 14.145 -1.700 1.042 1.00 0.00 C ATOM 0 H ALA A 69 13.567 -3.152 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 69 13.319 -1.179 -0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.133 -0.680 1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 69 13.235 -2.215 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 69 15.012 -2.227 1.439 1.00 0.00 H new ATOM 1058 N ASN A 70 15.185 0.250 -1.629 1.00 0.00 N ATOM 1059 CA ASN A 70 16.249 1.126 -2.123 1.00 0.00 C ATOM 1060 C ASN A 70 15.805 2.591 -2.086 1.00 0.00 C ATOM 1061 O ASN A 70 14.616 2.896 -1.945 1.00 0.00 O ATOM 1062 CB ASN A 70 16.674 0.735 -3.549 1.00 0.00 C ATOM 1063 CG ASN A 70 15.502 0.392 -4.462 1.00 0.00 C ATOM 1064 OD1 ASN A 70 15.095 1.197 -5.295 1.00 0.00 O ATOM 1065 ND2 ASN A 70 14.952 -0.812 -4.306 1.00 0.00 N ATOM 0 H ASN A 70 14.244 0.566 -1.862 1.00 0.00 H new ATOM 0 HA ASN A 70 17.110 1.005 -1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 70 17.238 1.557 -3.989 1.00 0.00 H new ATOM 0 HB3 ASN A 70 17.346 -0.121 -3.497 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.164 -1.092 -4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 70 15.319 -1.453 -3.602 1.00 0.00 H new ATOM 1072 N ILE A 71 16.770 3.507 -2.204 1.00 0.00 N ATOM 1073 CA ILE A 71 16.482 4.946 -2.168 1.00 0.00 C ATOM 1074 C ILE A 71 15.430 5.366 -3.207 1.00 0.00 C ATOM 1075 O ILE A 71 14.715 6.349 -3.000 1.00 0.00 O ATOM 1076 CB ILE A 71 17.765 5.782 -2.370 1.00 0.00 C ATOM 1077 CG1 ILE A 71 18.477 5.377 -3.669 1.00 0.00 C ATOM 1078 CG2 ILE A 71 18.691 5.614 -1.172 1.00 0.00 C ATOM 1079 CD1 ILE A 71 19.666 6.249 -4.015 1.00 0.00 C ATOM 0 H ILE A 71 17.757 3.280 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 71 16.074 5.144 -1.177 1.00 0.00 H new ATOM 0 HB ILE A 71 17.488 6.833 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 71 18.810 4.343 -3.582 1.00 0.00 H new ATOM 0 HG13 ILE A 71 17.761 5.413 -4.490 1.00 0.00 H new ATOM 0 HG21 ILE A 71 19.593 6.207 -1.323 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.182 5.951 -0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.961 4.563 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 71 20.115 5.900 -4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 71 19.337 7.281 -4.136 1.00 0.00 H new ATOM 0 HD13 ILE A 71 20.403 6.195 -3.213 1.00 0.00 H new ATOM 1091 N ASP A 72 15.331 4.611 -4.310 1.00 0.00 N ATOM 1092 CA ASP A 72 14.351 4.906 -5.356 1.00 0.00 C ATOM 1093 C ASP A 72 12.942 4.529 -4.891 1.00 0.00 C ATOM 1094 O ASP A 72 11.975 5.230 -5.198 1.00 0.00 O ATOM 1095 CB ASP A 72 14.699 4.171 -6.655 1.00 0.00 C ATOM 1096 CG ASP A 72 15.791 4.871 -7.441 1.00 0.00 C ATOM 1097 OD1 ASP A 72 15.770 6.118 -7.506 1.00 0.00 O ATOM 1098 OD2 ASP A 72 16.667 4.172 -7.992 1.00 0.00 O ATOM 0 H ASP A 72 15.916 3.796 -4.497 1.00 0.00 H new ATOM 0 HA ASP A 72 14.378 5.978 -5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 72 15.018 3.156 -6.420 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.805 4.089 -7.274 1.00 0.00 H new ATOM 1103 N ASP A 73 12.837 3.428 -4.131 1.00 0.00 N ATOM 1104 CA ASP A 73 11.557 2.969 -3.601 1.00 0.00 C ATOM 1105 C ASP A 73 11.029 3.945 -2.551 1.00 0.00 C ATOM 1106 O ASP A 73 9.818 4.143 -2.438 1.00 0.00 O ATOM 1107 CB ASP A 73 11.709 1.566 -2.996 1.00 0.00 C ATOM 1108 CG ASP A 73 11.770 0.464 -4.047 1.00 0.00 C ATOM 1109 OD1 ASP A 73 12.012 0.772 -5.236 1.00 0.00 O ATOM 1110 OD2 ASP A 73 11.581 -0.713 -3.676 1.00 0.00 O ATOM 0 H ASP A 73 13.630 2.841 -3.873 1.00 0.00 H new ATOM 0 HA ASP A 73 10.839 2.924 -4.419 1.00 0.00 H new ATOM 0 HB2 ASP A 73 12.616 1.534 -2.392 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.872 1.374 -2.325 1.00 0.00 H new ATOM 1115 N ALA A 74 11.947 4.569 -1.785 1.00 0.00 N ATOM 1116 CA ALA A 74 11.566 5.545 -0.748 1.00 0.00 C ATOM 1117 C ALA A 74 10.675 6.663 -1.305 1.00 0.00 C ATOM 1118 O ALA A 74 11.105 7.433 -2.167 1.00 0.00 O ATOM 1119 CB ALA A 74 12.813 6.150 -0.108 1.00 0.00 C ATOM 0 H ALA A 74 12.952 4.414 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 74 10.991 5.006 0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.517 6.869 0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.408 5.359 0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.405 6.655 -0.871 1.00 0.00 H new ATOM 1125 N GLY A 75 9.440 6.744 -0.796 1.00 0.00 N ATOM 1126 CA GLY A 75 8.512 7.771 -1.241 1.00 0.00 C ATOM 1127 C GLY A 75 7.105 7.549 -0.718 1.00 0.00 C ATOM 1128 O GLY A 75 6.841 6.552 -0.044 1.00 0.00 O ATOM 0 H GLY A 75 9.070 6.115 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.869 8.747 -0.911 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.492 7.791 -2.331 1.00 0.00 H new ATOM 1132 N ILE A 76 6.204 8.487 -1.025 1.00 0.00 N ATOM 1133 CA ILE A 76 4.813 8.411 -0.577 1.00 0.00 C ATOM 1134 C ILE A 76 4.013 7.384 -1.398 1.00 0.00 C ATOM 1135 O ILE A 76 3.388 7.741 -2.400 1.00 0.00 O ATOM 1136 CB ILE A 76 4.113 9.803 -0.678 1.00 0.00 C ATOM 1137 CG1 ILE A 76 4.959 10.909 -0.008 1.00 0.00 C ATOM 1138 CG2 ILE A 76 2.698 9.761 -0.091 1.00 0.00 C ATOM 1139 CD1 ILE A 76 5.000 10.863 1.509 1.00 0.00 C ATOM 0 H ILE A 76 6.417 9.312 -1.586 1.00 0.00 H new ATOM 0 HA ILE A 76 4.833 8.093 0.465 1.00 0.00 H new ATOM 0 HB ILE A 76 4.026 10.047 -1.737 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.979 10.842 -0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.569 11.879 -0.316 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.239 10.746 -0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.099 9.032 -0.637 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.748 9.475 0.960 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.619 11.680 1.881 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.989 10.965 1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.422 9.912 1.833 1.00 0.00 H new ATOM 1151 N TYR A 77 3.997 6.114 -0.951 1.00 0.00 N ATOM 1152 CA TYR A 77 3.222 5.076 -1.650 1.00 0.00 C ATOM 1153 C TYR A 77 1.730 5.384 -1.515 1.00 0.00 C ATOM 1154 O TYR A 77 1.349 6.305 -0.777 1.00 0.00 O ATOM 1155 CB TYR A 77 3.512 3.670 -1.110 1.00 0.00 C ATOM 1156 CG TYR A 77 4.869 3.114 -1.489 1.00 0.00 C ATOM 1157 CD1 TYR A 77 6.003 3.528 -0.812 1.00 0.00 C ATOM 1158 CD2 TYR A 77 5.015 2.161 -2.499 1.00 0.00 C ATOM 1159 CE1 TYR A 77 7.252 3.016 -1.121 1.00 0.00 C ATOM 1160 CE2 TYR A 77 6.261 1.640 -2.815 1.00 0.00 C ATOM 1161 CZ TYR A 77 7.373 2.071 -2.122 1.00 0.00 C ATOM 1162 OH TYR A 77 8.607 1.558 -2.433 1.00 0.00 O ATOM 0 H TYR A 77 4.501 5.788 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 77 3.520 5.088 -2.698 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.433 3.690 -0.023 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.741 2.990 -1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.912 4.265 -0.028 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.144 1.824 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.126 3.353 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.360 0.902 -3.598 1.00 0.00 H new ATOM 0 HH TYR A 77 8.517 0.905 -3.158 1.00 0.00 H new ATOM 1172 N LYS A 78 0.891 4.636 -2.236 1.00 0.00 N ATOM 1173 CA LYS A 78 -0.554 4.863 -2.210 1.00 0.00 C ATOM 1174 C LYS A 78 -1.341 3.571 -2.004 1.00 0.00 C ATOM 1175 O LYS A 78 -0.880 2.484 -2.347 1.00 0.00 O ATOM 1176 CB LYS A 78 -0.996 5.539 -3.516 1.00 0.00 C ATOM 1177 CG LYS A 78 -1.908 6.742 -3.315 1.00 0.00 C ATOM 1178 CD LYS A 78 -2.139 7.494 -4.618 1.00 0.00 C ATOM 1179 CE LYS A 78 -0.855 8.127 -5.129 1.00 0.00 C ATOM 1180 NZ LYS A 78 -1.121 9.262 -6.055 1.00 0.00 N ATOM 0 H LYS A 78 1.187 3.871 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.767 5.513 -1.361 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.110 5.856 -4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.511 4.805 -4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.865 6.411 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.467 7.415 -2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.533 6.810 -5.370 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.892 8.267 -4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.264 8.480 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.259 7.373 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.218 9.664 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.663 8.922 -6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.668 9.994 -5.559 1.00 0.00 H new ATOM 1194 N CYS A 79 -2.554 3.729 -1.478 1.00 0.00 N ATOM 1195 CA CYS A 79 -3.468 2.620 -1.236 1.00 0.00 C ATOM 1196 C CYS A 79 -4.891 3.080 -1.545 1.00 0.00 C ATOM 1197 O CYS A 79 -5.589 3.598 -0.667 1.00 0.00 O ATOM 1198 CB CYS A 79 -3.360 2.137 0.216 1.00 0.00 C ATOM 1199 SG CYS A 79 -4.126 0.509 0.520 1.00 0.00 S ATOM 0 H CYS A 79 -2.931 4.637 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 79 -3.206 1.783 -1.883 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.307 2.088 0.494 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.828 2.874 0.868 1.00 0.00 H new ATOM 1204 N VAL A 80 -5.299 2.931 -2.811 1.00 0.00 N ATOM 1205 CA VAL A 80 -6.626 3.373 -3.250 1.00 0.00 C ATOM 1206 C VAL A 80 -7.639 2.235 -3.246 1.00 0.00 C ATOM 1207 O VAL A 80 -7.423 1.194 -3.871 1.00 0.00 O ATOM 1208 CB VAL A 80 -6.609 4.011 -4.665 1.00 0.00 C ATOM 1209 CG1 VAL A 80 -7.906 4.785 -4.916 1.00 0.00 C ATOM 1210 CG2 VAL A 80 -5.393 4.918 -4.855 1.00 0.00 C ATOM 0 H VAL A 80 -4.731 2.509 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.925 4.131 -2.526 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.536 3.205 -5.395 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.879 5.227 -5.912 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -8.755 4.105 -4.843 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.008 5.575 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.413 5.348 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.417 5.719 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.481 4.335 -4.728 1.00 0.00 H new ATOM 1220 N VAL A 81 -8.764 2.460 -2.555 1.00 0.00 N ATOM 1221 CA VAL A 81 -9.843 1.483 -2.481 1.00 0.00 C ATOM 1222 C VAL A 81 -11.053 2.018 -3.261 1.00 0.00 C ATOM 1223 O VAL A 81 -11.170 3.228 -3.471 1.00 0.00 O ATOM 1224 CB VAL A 81 -10.189 1.164 -0.986 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -11.634 0.707 -0.771 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -9.222 0.123 -0.442 1.00 0.00 C ATOM 0 H VAL A 81 -8.945 3.320 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.533 0.543 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.084 2.100 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.798 0.505 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -12.316 1.490 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.818 -0.200 -1.346 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.468 -0.094 0.597 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.301 -0.790 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.203 0.506 -0.501 1.00 0.00 H new ATOM 1236 N THR A 82 -11.945 1.112 -3.690 1.00 0.00 N ATOM 1237 CA THR A 82 -13.138 1.513 -4.448 1.00 0.00 C ATOM 1238 C THR A 82 -14.381 0.734 -4.028 1.00 0.00 C ATOM 1239 O THR A 82 -14.294 -0.429 -3.634 1.00 0.00 O ATOM 1240 CB THR A 82 -12.906 1.336 -5.949 1.00 0.00 C ATOM 1241 OG1 THR A 82 -11.632 1.830 -6.323 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.943 2.045 -6.798 1.00 0.00 C ATOM 0 H THR A 82 -11.864 0.108 -3.527 1.00 0.00 H new ATOM 0 HA THR A 82 -13.313 2.566 -4.225 1.00 0.00 H new ATOM 0 HB THR A 82 -12.979 0.264 -6.130 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.503 1.706 -7.287 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.723 1.881 -7.853 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.933 1.651 -6.568 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.920 3.114 -6.584 1.00 0.00 H new ATOM 1250 N ALA A 83 -15.545 1.392 -4.128 1.00 0.00 N ATOM 1251 CA ALA A 83 -16.824 0.779 -3.776 1.00 0.00 C ATOM 1252 C ALA A 83 -17.518 0.230 -5.024 1.00 0.00 C ATOM 1253 O ALA A 83 -16.960 0.293 -6.122 1.00 0.00 O ATOM 1254 CB ALA A 83 -17.710 1.798 -3.073 1.00 0.00 C ATOM 0 H ALA A 83 -15.622 2.356 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.641 -0.054 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.662 1.335 -2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.216 2.145 -2.166 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.888 2.645 -3.736 1.00 0.00 H new ATOM 1260 N GLU A 84 -18.730 -0.308 -4.850 1.00 0.00 N ATOM 1261 CA GLU A 84 -19.494 -0.869 -5.968 1.00 0.00 C ATOM 1262 C GLU A 84 -20.008 0.236 -6.892 1.00 0.00 C ATOM 1263 O GLU A 84 -19.765 0.206 -8.100 1.00 0.00 O ATOM 1264 CB GLU A 84 -20.670 -1.705 -5.449 1.00 0.00 C ATOM 1265 CG GLU A 84 -21.124 -2.789 -6.413 1.00 0.00 C ATOM 1266 CD GLU A 84 -22.397 -3.476 -5.958 1.00 0.00 C ATOM 1267 OE1 GLU A 84 -23.442 -2.795 -5.876 1.00 0.00 O ATOM 1268 OE2 GLU A 84 -22.351 -4.694 -5.686 1.00 0.00 O ATOM 0 H GLU A 84 -19.202 -0.366 -3.947 1.00 0.00 H new ATOM 0 HA GLU A 84 -18.825 -1.513 -6.539 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -20.386 -2.168 -4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -21.510 -1.043 -5.240 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -21.284 -2.351 -7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -20.333 -3.531 -6.519 1.00 0.00 H new ATOM 1275 N ASP A 85 -20.721 1.207 -6.312 1.00 0.00 N ATOM 1276 CA ASP A 85 -21.276 2.327 -7.080 1.00 0.00 C ATOM 1277 C ASP A 85 -20.174 3.240 -7.622 1.00 0.00 C ATOM 1278 O ASP A 85 -20.334 3.842 -8.688 1.00 0.00 O ATOM 1279 CB ASP A 85 -22.250 3.141 -6.218 1.00 0.00 C ATOM 1280 CG ASP A 85 -21.627 3.609 -4.915 1.00 0.00 C ATOM 1281 OD1 ASP A 85 -21.680 2.849 -3.924 1.00 0.00 O ATOM 1282 OD2 ASP A 85 -21.085 4.734 -4.886 1.00 0.00 O ATOM 0 H ASP A 85 -20.927 1.240 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 85 -21.814 1.905 -7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -22.593 4.007 -6.784 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -23.129 2.535 -5.999 1.00 0.00 H new ATOM 1287 N GLY A 86 -19.056 3.341 -6.885 1.00 0.00 N ATOM 1288 CA GLY A 86 -17.941 4.184 -7.308 1.00 0.00 C ATOM 1289 C GLY A 86 -17.251 4.922 -6.162 1.00 0.00 C ATOM 1290 O GLY A 86 -16.186 5.506 -6.368 1.00 0.00 O ATOM 0 H GLY A 86 -18.907 2.852 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.206 3.565 -7.823 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -18.305 4.915 -8.030 1.00 0.00 H new ATOM 1294 N THR A 87 -17.845 4.905 -4.953 1.00 0.00 N ATOM 1295 CA THR A 87 -17.257 5.585 -3.785 1.00 0.00 C ATOM 1296 C THR A 87 -15.852 5.049 -3.481 1.00 0.00 C ATOM 1297 O THR A 87 -15.704 3.947 -2.951 1.00 0.00 O ATOM 1298 CB THR A 87 -18.161 5.411 -2.555 1.00 0.00 C ATOM 1299 OG1 THR A 87 -19.478 5.849 -2.835 1.00 0.00 O ATOM 1300 CG2 THR A 87 -17.679 6.167 -1.333 1.00 0.00 C ATOM 0 H THR A 87 -18.727 4.430 -4.761 1.00 0.00 H new ATOM 0 HA THR A 87 -17.175 6.646 -4.022 1.00 0.00 H new ATOM 0 HB THR A 87 -18.134 4.344 -2.333 1.00 0.00 H new ATOM 0 HG1 THR A 87 -19.901 5.231 -3.467 1.00 0.00 H new ATOM 0 HG21 THR A 87 -18.367 5.996 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 87 -16.685 5.816 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 87 -17.638 7.233 -1.557 1.00 0.00 H new ATOM 1308 N GLN A 88 -14.830 5.839 -3.829 1.00 0.00 N ATOM 1309 CA GLN A 88 -13.438 5.448 -3.605 1.00 0.00 C ATOM 1310 C GLN A 88 -12.840 6.150 -2.392 1.00 0.00 C ATOM 1311 O GLN A 88 -13.004 7.359 -2.219 1.00 0.00 O ATOM 1312 CB GLN A 88 -12.586 5.775 -4.829 1.00 0.00 C ATOM 1313 CG GLN A 88 -12.921 4.945 -6.056 1.00 0.00 C ATOM 1314 CD GLN A 88 -12.411 5.572 -7.342 1.00 0.00 C ATOM 1315 OE1 GLN A 88 -13.191 5.887 -8.240 1.00 0.00 O ATOM 1316 NE2 GLN A 88 -11.096 5.758 -7.442 1.00 0.00 N ATOM 0 H GLN A 88 -14.943 6.753 -4.267 1.00 0.00 H new ATOM 0 HA GLN A 88 -13.437 4.373 -3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -12.709 6.830 -5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -11.536 5.626 -4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.490 3.950 -5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -14.002 4.819 -6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.482 5.483 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.703 6.175 -8.286 1.00 0.00 H new ATOM 1325 N SER A 89 -12.113 5.383 -1.572 1.00 0.00 N ATOM 1326 CA SER A 89 -11.442 5.921 -0.388 1.00 0.00 C ATOM 1327 C SER A 89 -9.986 5.494 -0.426 1.00 0.00 C ATOM 1328 O SER A 89 -9.689 4.309 -0.293 1.00 0.00 O ATOM 1329 CB SER A 89 -12.112 5.416 0.889 1.00 0.00 C ATOM 1330 OG SER A 89 -11.774 6.231 1.999 1.00 0.00 O ATOM 0 H SER A 89 -11.975 4.382 -1.710 1.00 0.00 H new ATOM 0 HA SER A 89 -11.511 7.009 -0.390 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.194 5.407 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.806 4.388 1.082 1.00 0.00 H new ATOM 0 HG SER A 89 -12.216 5.888 2.803 1.00 0.00 H new ATOM 1336 N GLU A 90 -9.079 6.448 -0.661 1.00 0.00 N ATOM 1337 CA GLU A 90 -7.652 6.137 -0.772 1.00 0.00 C ATOM 1338 C GLU A 90 -6.864 6.475 0.498 1.00 0.00 C ATOM 1339 O GLU A 90 -7.414 6.981 1.477 1.00 0.00 O ATOM 1340 CB GLU A 90 -7.049 6.867 -1.987 1.00 0.00 C ATOM 1341 CG GLU A 90 -6.949 8.382 -1.833 1.00 0.00 C ATOM 1342 CD GLU A 90 -6.600 9.083 -3.132 1.00 0.00 C ATOM 1343 OE1 GLU A 90 -7.426 9.042 -4.069 1.00 0.00 O ATOM 1344 OE2 GLU A 90 -5.501 9.671 -3.213 1.00 0.00 O ATOM 0 H GLU A 90 -9.307 7.435 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.570 5.059 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.053 6.468 -2.176 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.654 6.644 -2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.898 8.768 -1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.193 8.617 -1.084 1.00 0.00 H new ATOM 1351 N ALA A 91 -5.560 6.195 0.442 1.00 0.00 N ATOM 1352 CA ALA A 91 -4.648 6.463 1.546 1.00 0.00 C ATOM 1353 C ALA A 91 -3.232 6.667 1.013 1.00 0.00 C ATOM 1354 O ALA A 91 -2.992 6.511 -0.187 1.00 0.00 O ATOM 1355 CB ALA A 91 -4.676 5.320 2.554 1.00 0.00 C ATOM 0 H ALA A 91 -5.111 5.776 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.970 7.373 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.988 5.539 3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -5.686 5.208 2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.374 4.395 2.063 1.00 0.00 H new ATOM 1361 N THR A 92 -2.300 7.005 1.901 1.00 0.00 N ATOM 1362 CA THR A 92 -0.907 7.213 1.510 1.00 0.00 C ATOM 1363 C THR A 92 0.018 6.931 2.682 1.00 0.00 C ATOM 1364 O THR A 92 -0.393 7.028 3.842 1.00 0.00 O ATOM 1365 CB THR A 92 -0.684 8.640 0.980 1.00 0.00 C ATOM 1366 OG1 THR A 92 -1.592 9.550 1.578 1.00 0.00 O ATOM 1367 CG2 THR A 92 -0.843 8.753 -0.522 1.00 0.00 C ATOM 0 H THR A 92 -2.483 7.141 2.895 1.00 0.00 H new ATOM 0 HA THR A 92 -0.676 6.517 0.704 1.00 0.00 H new ATOM 0 HB THR A 92 0.346 8.884 1.241 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.431 10.451 1.228 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.673 9.785 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.119 8.103 -1.014 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.852 8.452 -0.805 1.00 0.00 H new ATOM 1375 N VAL A 93 1.268 6.580 2.374 1.00 0.00 N ATOM 1376 CA VAL A 93 2.258 6.278 3.407 1.00 0.00 C ATOM 1377 C VAL A 93 3.626 6.855 3.030 1.00 0.00 C ATOM 1378 O VAL A 93 4.181 6.513 1.986 1.00 0.00 O ATOM 1379 CB VAL A 93 2.351 4.747 3.655 1.00 0.00 C ATOM 1380 CG1 VAL A 93 2.654 4.003 2.360 1.00 0.00 C ATOM 1381 CG2 VAL A 93 3.376 4.411 4.741 1.00 0.00 C ATOM 0 H VAL A 93 1.617 6.498 1.419 1.00 0.00 H new ATOM 0 HA VAL A 93 1.935 6.749 4.335 1.00 0.00 H new ATOM 0 HB VAL A 93 1.378 4.413 4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.714 2.933 2.560 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.861 4.193 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.604 4.350 1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.412 3.331 4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.359 4.769 4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.087 4.893 5.675 1.00 0.00 H new ATOM 1391 N ASN A 94 4.152 7.732 3.893 1.00 0.00 N ATOM 1392 CA ASN A 94 5.451 8.366 3.667 1.00 0.00 C ATOM 1393 C ASN A 94 6.584 7.383 3.976 1.00 0.00 C ATOM 1394 O ASN A 94 7.134 7.379 5.079 1.00 0.00 O ATOM 1395 CB ASN A 94 5.561 9.658 4.513 1.00 0.00 C ATOM 1396 CG ASN A 94 6.971 10.257 4.622 1.00 0.00 C ATOM 1397 OD1 ASN A 94 7.311 10.862 5.639 1.00 0.00 O ATOM 1398 ND2 ASN A 94 7.796 10.096 3.586 1.00 0.00 N ATOM 0 H ASN A 94 3.693 8.018 4.758 1.00 0.00 H new ATOM 0 HA ASN A 94 5.541 8.646 2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.898 10.410 4.085 1.00 0.00 H new ATOM 0 HB3 ASN A 94 5.196 9.446 5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.740 10.480 3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.482 9.589 2.758 1.00 0.00 H new ATOM 1405 N VAL A 95 6.926 6.562 2.984 1.00 0.00 N ATOM 1406 CA VAL A 95 7.986 5.578 3.130 1.00 0.00 C ATOM 1407 C VAL A 95 9.351 6.216 2.860 1.00 0.00 C ATOM 1408 O VAL A 95 9.504 7.006 1.925 1.00 0.00 O ATOM 1409 CB VAL A 95 7.770 4.370 2.183 1.00 0.00 C ATOM 1410 CG1 VAL A 95 8.804 3.291 2.434 1.00 0.00 C ATOM 1411 CG2 VAL A 95 6.367 3.796 2.346 1.00 0.00 C ATOM 0 H VAL A 95 6.479 6.563 2.067 1.00 0.00 H new ATOM 0 HA VAL A 95 7.959 5.214 4.157 1.00 0.00 H new ATOM 0 HB VAL A 95 7.884 4.728 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.630 2.455 1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 95 9.801 3.696 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.726 2.945 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 95 6.240 2.950 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 95 6.227 3.464 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 95 5.630 4.563 2.109 1.00 0.00 H new ATOM 1421 N LYS A 96 10.339 5.853 3.686 1.00 0.00 N ATOM 1422 CA LYS A 96 11.700 6.370 3.554 1.00 0.00 C ATOM 1423 C LYS A 96 12.698 5.222 3.439 1.00 0.00 C ATOM 1424 O LYS A 96 12.437 4.113 3.910 1.00 0.00 O ATOM 1425 CB LYS A 96 12.061 7.254 4.765 1.00 0.00 C ATOM 1426 CG LYS A 96 12.701 8.582 4.387 1.00 0.00 C ATOM 1427 CD LYS A 96 13.433 9.209 5.566 1.00 0.00 C ATOM 1428 CE LYS A 96 12.480 9.951 6.491 1.00 0.00 C ATOM 1429 NZ LYS A 96 13.173 11.021 7.261 1.00 0.00 N ATOM 0 H LYS A 96 10.216 5.198 4.458 1.00 0.00 H new ATOM 0 HA LYS A 96 11.748 6.974 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.158 7.448 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.743 6.704 5.414 1.00 0.00 H new ATOM 0 HG2 LYS A 96 13.400 8.428 3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.933 9.268 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.953 8.432 6.127 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.193 9.898 5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.673 10.391 5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.022 9.244 7.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.519 11.814 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.485 10.642 8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 13.999 11.355 6.725 1.00 0.00 H new ATOM 1443 N ILE A 97 13.856 5.517 2.851 1.00 0.00 N ATOM 1444 CA ILE A 97 14.928 4.536 2.709 1.00 0.00 C ATOM 1445 C ILE A 97 16.281 5.240 2.752 1.00 0.00 C ATOM 1446 O ILE A 97 16.438 6.339 2.216 1.00 0.00 O ATOM 1447 CB ILE A 97 14.810 3.658 1.433 1.00 0.00 C ATOM 1448 CG1 ILE A 97 13.371 3.096 1.314 1.00 0.00 C ATOM 1449 CG2 ILE A 97 15.853 2.532 1.486 1.00 0.00 C ATOM 1450 CD1 ILE A 97 13.160 2.042 0.241 1.00 0.00 C ATOM 0 H ILE A 97 14.076 6.434 2.463 1.00 0.00 H new ATOM 0 HA ILE A 97 14.835 3.849 3.550 1.00 0.00 H new ATOM 0 HB ILE A 97 15.007 4.261 0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 97 13.087 2.670 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 97 12.692 3.926 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 97 15.770 1.916 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 97 16.852 2.964 1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 97 15.678 1.915 2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.119 1.720 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 97 13.404 2.462 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 97 13.805 1.186 0.440 1.00 0.00 H new ATOM 1462 N PHE A 98 17.246 4.608 3.424 1.00 0.00 N ATOM 1463 CA PHE A 98 18.592 5.171 3.587 1.00 0.00 C ATOM 1464 C PHE A 98 19.646 4.160 3.141 1.00 0.00 C ATOM 1465 O PHE A 98 19.631 3.004 3.578 1.00 0.00 O ATOM 1466 CB PHE A 98 18.841 5.619 5.058 1.00 0.00 C ATOM 1467 CG PHE A 98 17.791 5.166 6.051 1.00 0.00 C ATOM 1468 CD1 PHE A 98 16.519 5.725 6.035 1.00 0.00 C ATOM 1469 CD2 PHE A 98 18.070 4.171 6.972 1.00 0.00 C ATOM 1470 CE1 PHE A 98 15.551 5.299 6.918 1.00 0.00 C ATOM 1471 CE2 PHE A 98 17.103 3.745 7.862 1.00 0.00 C ATOM 1472 CZ PHE A 98 15.843 4.310 7.832 1.00 0.00 C ATOM 0 H PHE A 98 17.120 3.698 3.868 1.00 0.00 H new ATOM 0 HA PHE A 98 18.670 6.056 2.955 1.00 0.00 H new ATOM 0 HB2 PHE A 98 19.811 5.239 5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 98 18.900 6.707 5.086 1.00 0.00 H new ATOM 0 HD1 PHE A 98 16.286 6.502 5.322 1.00 0.00 H new ATOM 0 HD2 PHE A 98 19.053 3.724 6.995 1.00 0.00 H new ATOM 0 HE1 PHE A 98 14.565 5.739 6.894 1.00 0.00 H new ATOM 0 HE2 PHE A 98 17.332 2.971 8.580 1.00 0.00 H new ATOM 0 HZ PHE A 98 15.086 3.976 8.526 1.00 0.00 H new ATOM 1482 N GLN A 99 20.551 4.606 2.267 1.00 0.00 N ATOM 1483 CA GLN A 99 21.613 3.753 1.744 1.00 0.00 C ATOM 1484 C GLN A 99 22.834 3.775 2.661 1.00 0.00 C ATOM 1485 O GLN A 99 23.085 2.755 3.335 1.00 0.00 O ATOM 1486 CB GLN A 99 22.000 4.210 0.334 1.00 0.00 C ATOM 1487 CG GLN A 99 22.543 3.094 -0.541 1.00 0.00 C ATOM 1488 CD GLN A 99 23.462 3.606 -1.637 1.00 0.00 C ATOM 1489 OE1 GLN A 99 24.673 3.391 -1.594 1.00 0.00 O ATOM 1490 NE2 GLN A 99 22.892 4.289 -2.629 1.00 0.00 N ATOM 1491 OXT GLN A 99 23.528 4.813 2.694 1.00 0.00 O ATOM 0 H GLN A 99 20.566 5.560 1.906 1.00 0.00 H new ATOM 0 HA GLN A 99 21.243 2.729 1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 99 21.126 4.647 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN A 99 22.749 4.998 0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 99 23.086 2.382 0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 99 21.711 2.554 -0.992 1.00 0.00 H new ATOM 0 HE21 GLN A 99 21.884 4.445 -2.627 1.00 0.00 H new ATOM 0 HE22 GLN A 99 23.464 4.655 -3.390 1.00 0.00 H new