USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1012 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 130 SER OG : rot 180:sc=-0.00679 USER MOD Set 1.2: A 133 LYS NZ :NH3+ -158:sc= -0.15 (180deg=-0.777) USER MOD Set 2.1: A 17 TYR OH : rot 174:sc=-0.00491 USER MOD Set 2.2: A 110 ASN : amide:sc=-0.00267 K(o=-0.0076,f=-0.51) USER MOD Set 3.1: A 50 HIS : no HD1:sc= -0.0581 K(o=-0.55,f=-6.3!) USER MOD Set 3.2: A 53 GLN : amide:sc= -0.495 K(o=-0.55,f=-2.5!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.097) USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 31 THR OG1 : rot -58:sc= 0.426 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 45:sc= 1.92 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00477 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 48 TYR OH : rot 141:sc= 1.24 USER MOD Single : A 49 GLN : amide:sc= 0.0946 X(o=0.095,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.955 K(o=0.96,f=0) USER MOD Single : A 55 CYS SG : rot 59:sc= 0.666 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 27:sc= 0.0814 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -103:sc= 0.231 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.563 K(o=0.56,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -107:sc= 1.17 (180deg=-0.382!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc=-0.000876 K(o=-0.00088,f=-1.9!) USER MOD Single : A 113 LYS NZ :NH3+ -106:sc= 1.17 (180deg=-1.38) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -146:sc= 0.353 (180deg=0.0338) USER MOD Single : A 129 LYS NZ :NH3+ 173:sc= 1.24 (180deg=1.15) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N ALA A 5 0.064 -20.872 0.282 1.00 0.00 N ATOM 68 CA ALA A 5 0.233 -21.217 1.694 1.00 0.00 C ATOM 69 C ALA A 5 1.675 -20.982 2.143 1.00 0.00 C ATOM 70 O ALA A 5 2.286 -21.756 2.878 1.00 0.00 O ATOM 71 CB ALA A 5 -0.287 -22.634 1.955 1.00 0.00 C ATOM 0 HA ALA A 5 -0.371 -20.554 2.314 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -0.157 -22.881 3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.345 -22.686 1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 5 0.270 -23.344 1.344 1.00 0.00 H new ATOM 77 N THR A 6 2.190 -19.843 1.716 1.00 0.00 N ATOM 78 CA THR A 6 3.510 -19.332 2.055 1.00 0.00 C ATOM 79 C THR A 6 3.373 -18.477 3.330 1.00 0.00 C ATOM 80 O THR A 6 2.259 -18.058 3.683 1.00 0.00 O ATOM 81 CB THR A 6 4.020 -18.525 0.850 1.00 0.00 C ATOM 82 OG1 THR A 6 3.678 -19.141 -0.375 1.00 0.00 O ATOM 83 CG2 THR A 6 5.538 -18.379 0.829 1.00 0.00 C ATOM 0 H THR A 6 1.677 -19.218 1.094 1.00 0.00 H new ATOM 0 HA THR A 6 4.231 -20.123 2.261 1.00 0.00 H new ATOM 0 HB THR A 6 3.545 -17.550 0.959 1.00 0.00 H new ATOM 0 HG1 THR A 6 4.016 -18.600 -1.119 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.836 -17.800 -0.045 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.867 -17.866 1.733 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.998 -19.366 0.784 1.00 0.00 H new ATOM 91 N LYS A 7 4.469 -18.192 4.036 1.00 0.00 N ATOM 92 CA LYS A 7 4.467 -17.458 5.306 1.00 0.00 C ATOM 93 C LYS A 7 5.536 -16.377 5.318 1.00 0.00 C ATOM 94 O LYS A 7 6.080 -16.012 4.279 1.00 0.00 O ATOM 95 CB LYS A 7 4.586 -18.466 6.470 1.00 0.00 C ATOM 96 CG LYS A 7 3.230 -19.115 6.786 1.00 0.00 C ATOM 97 CD LYS A 7 3.380 -20.064 7.976 1.00 0.00 C ATOM 98 CE LYS A 7 2.033 -20.669 8.375 1.00 0.00 C ATOM 99 NZ LYS A 7 2.181 -21.635 9.480 1.00 0.00 N ATOM 0 H LYS A 7 5.403 -18.470 3.736 1.00 0.00 H new ATOM 0 HA LYS A 7 3.525 -16.925 5.432 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.310 -19.239 6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.964 -17.958 7.357 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.491 -18.346 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.865 -19.661 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.079 -20.861 7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.805 -19.525 8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.350 -19.874 8.674 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.586 -21.165 7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.249 -22.026 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.814 -22.406 9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.585 -21.155 10.309 1.00 0.00 H new ATOM 113 N ILE A 8 5.718 -15.774 6.483 1.00 0.00 N ATOM 114 CA ILE A 8 6.732 -14.774 6.763 1.00 0.00 C ATOM 115 C ILE A 8 7.373 -15.082 8.115 1.00 0.00 C ATOM 116 O ILE A 8 6.715 -15.655 8.994 1.00 0.00 O ATOM 117 CB ILE A 8 6.129 -13.346 6.760 1.00 0.00 C ATOM 118 CG1 ILE A 8 5.355 -12.923 8.024 1.00 0.00 C ATOM 119 CG2 ILE A 8 5.250 -13.061 5.540 1.00 0.00 C ATOM 120 CD1 ILE A 8 4.048 -13.656 8.338 1.00 0.00 C ATOM 0 H ILE A 8 5.135 -15.979 7.295 1.00 0.00 H new ATOM 0 HA ILE A 8 7.490 -14.809 5.980 1.00 0.00 H new ATOM 0 HB ILE A 8 7.034 -12.740 6.727 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.020 -13.042 8.880 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.131 -11.860 7.940 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.861 -12.045 5.602 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.843 -13.168 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.420 -13.767 5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.616 -13.253 9.254 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.347 -13.519 7.515 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.250 -14.719 8.469 1.00 0.00 H new ATOM 132 N ASP A 9 8.635 -14.693 8.303 1.00 0.00 N ATOM 133 CA ASP A 9 9.316 -14.832 9.592 1.00 0.00 C ATOM 134 C ASP A 9 8.880 -13.526 10.246 1.00 0.00 C ATOM 135 O ASP A 9 9.587 -12.523 10.208 1.00 0.00 O ATOM 136 CB ASP A 9 10.843 -14.950 9.459 1.00 0.00 C ATOM 137 CG ASP A 9 11.556 -15.063 10.818 1.00 0.00 C ATOM 138 OD1 ASP A 9 11.051 -14.595 11.867 1.00 0.00 O ATOM 139 OD2 ASP A 9 12.673 -15.630 10.845 1.00 0.00 O ATOM 0 H ASP A 9 9.211 -14.275 7.572 1.00 0.00 H new ATOM 0 HA ASP A 9 9.066 -15.736 10.147 1.00 0.00 H new ATOM 0 HB2 ASP A 9 11.083 -15.825 8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.224 -14.079 8.926 1.00 0.00 H new ATOM 144 N LYS A 10 7.648 -13.490 10.758 1.00 0.00 N ATOM 145 CA LYS A 10 7.067 -12.275 11.312 1.00 0.00 C ATOM 146 C LYS A 10 7.917 -11.623 12.380 1.00 0.00 C ATOM 147 O LYS A 10 7.925 -10.404 12.442 1.00 0.00 O ATOM 148 CB LYS A 10 5.609 -12.508 11.777 1.00 0.00 C ATOM 149 CG LYS A 10 5.502 -12.843 13.274 1.00 0.00 C ATOM 150 CD LYS A 10 4.136 -13.368 13.715 1.00 0.00 C ATOM 151 CE LYS A 10 4.111 -13.529 15.241 1.00 0.00 C ATOM 152 NZ LYS A 10 4.773 -14.760 15.729 1.00 0.00 N ATOM 0 H LYS A 10 7.031 -14.301 10.798 1.00 0.00 H new ATOM 0 HA LYS A 10 7.042 -11.553 10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.020 -11.616 11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.174 -13.321 11.196 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.259 -13.587 13.521 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.735 -11.948 13.850 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.352 -12.680 13.400 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.932 -14.325 13.235 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.595 -12.664 15.695 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.075 -13.528 15.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.715 -14.797 16.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.298 -15.593 15.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.771 -14.756 15.438 1.00 0.00 H new ATOM 166 N GLU A 11 8.616 -12.385 13.210 1.00 0.00 N ATOM 167 CA GLU A 11 9.365 -11.800 14.310 1.00 0.00 C ATOM 168 C GLU A 11 10.622 -11.120 13.766 1.00 0.00 C ATOM 169 O GLU A 11 10.873 -9.956 14.098 1.00 0.00 O ATOM 170 CB GLU A 11 9.549 -12.847 15.428 1.00 0.00 C ATOM 171 CG GLU A 11 8.147 -13.392 15.784 1.00 0.00 C ATOM 172 CD GLU A 11 8.020 -14.171 17.084 1.00 0.00 C ATOM 173 OE1 GLU A 11 7.784 -13.544 18.139 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.867 -15.410 17.034 1.00 0.00 O ATOM 0 H GLU A 11 8.679 -13.401 13.143 1.00 0.00 H new ATOM 0 HA GLU A 11 8.824 -10.992 14.802 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.202 -13.654 15.095 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.019 -12.397 16.302 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.456 -12.550 15.825 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.817 -14.036 14.969 1.00 0.00 H new ATOM 181 N ALA A 12 11.341 -11.769 12.842 1.00 0.00 N ATOM 182 CA ALA A 12 12.505 -11.172 12.203 1.00 0.00 C ATOM 183 C ALA A 12 12.113 -10.004 11.305 1.00 0.00 C ATOM 184 O ALA A 12 12.754 -8.950 11.341 1.00 0.00 O ATOM 185 CB ALA A 12 13.247 -12.220 11.365 1.00 0.00 C ATOM 0 H ALA A 12 11.129 -12.714 12.523 1.00 0.00 H new ATOM 0 HA ALA A 12 13.156 -10.800 12.994 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.115 -11.760 10.893 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.574 -13.036 12.009 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.580 -12.610 10.596 1.00 0.00 H new ATOM 191 N CYS A 13 11.076 -10.186 10.487 1.00 0.00 N ATOM 192 CA CYS A 13 10.661 -9.187 9.527 1.00 0.00 C ATOM 193 C CYS A 13 10.053 -7.981 10.237 1.00 0.00 C ATOM 194 O CYS A 13 10.357 -6.846 9.868 1.00 0.00 O ATOM 195 CB CYS A 13 9.711 -9.807 8.493 1.00 0.00 C ATOM 196 SG CYS A 13 10.656 -10.995 7.490 1.00 0.00 S ATOM 0 H CYS A 13 10.507 -11.032 10.478 1.00 0.00 H new ATOM 0 HA CYS A 13 11.533 -8.824 8.983 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.881 -10.307 8.992 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.282 -9.031 7.859 1.00 0.00 H new ATOM 0 HG CYS A 13 9.872 -11.537 6.606 1.00 0.00 H new ATOM 202 N ARG A 14 9.230 -8.197 11.272 1.00 0.00 N ATOM 203 CA ARG A 14 8.683 -7.092 12.050 1.00 0.00 C ATOM 204 C ARG A 14 9.808 -6.357 12.761 1.00 0.00 C ATOM 205 O ARG A 14 9.667 -5.152 12.910 1.00 0.00 O ATOM 206 CB ARG A 14 7.607 -7.555 13.043 1.00 0.00 C ATOM 207 CG ARG A 14 6.884 -6.383 13.729 1.00 0.00 C ATOM 208 CD ARG A 14 5.783 -6.886 14.667 1.00 0.00 C ATOM 209 NE ARG A 14 6.347 -7.525 15.868 1.00 0.00 N ATOM 210 CZ ARG A 14 5.879 -8.577 16.544 1.00 0.00 C ATOM 211 NH1 ARG A 14 4.787 -9.224 16.139 1.00 0.00 N ATOM 212 NH2 ARG A 14 6.517 -8.950 17.642 1.00 0.00 N ATOM 0 H ARG A 14 8.934 -9.122 11.583 1.00 0.00 H new ATOM 0 HA ARG A 14 8.190 -6.407 11.360 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.876 -8.170 12.518 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.068 -8.186 13.803 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.603 -5.789 14.293 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.451 -5.727 12.974 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.146 -6.052 14.962 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.150 -7.598 14.138 1.00 0.00 H new ATOM 0 HE ARG A 14 7.206 -7.111 16.230 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.294 -8.918 15.300 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.444 -10.026 16.668 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.343 -8.437 17.951 1.00 0.00 H new ATOM 0 HH22 ARG A 14 6.183 -9.750 18.179 1.00 0.00 H new ATOM 226 N ALA A 15 10.899 -7.015 13.178 1.00 0.00 N ATOM 227 CA ALA A 15 12.015 -6.312 13.788 1.00 0.00 C ATOM 228 C ALA A 15 12.616 -5.319 12.792 1.00 0.00 C ATOM 229 O ALA A 15 12.682 -4.133 13.096 1.00 0.00 O ATOM 230 CB ALA A 15 13.066 -7.285 14.334 1.00 0.00 C ATOM 0 H ALA A 15 11.024 -8.024 13.101 1.00 0.00 H new ATOM 0 HA ALA A 15 11.643 -5.750 14.644 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.885 -6.722 14.782 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.611 -7.927 15.089 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.451 -7.899 13.520 1.00 0.00 H new ATOM 236 N ALA A 16 12.992 -5.758 11.587 1.00 0.00 N ATOM 237 CA ALA A 16 13.511 -4.841 10.573 1.00 0.00 C ATOM 238 C ALA A 16 12.512 -3.715 10.289 1.00 0.00 C ATOM 239 O ALA A 16 12.899 -2.551 10.265 1.00 0.00 O ATOM 240 CB ALA A 16 13.828 -5.593 9.281 1.00 0.00 C ATOM 0 H ALA A 16 12.947 -6.734 11.293 1.00 0.00 H new ATOM 0 HA ALA A 16 14.429 -4.400 10.961 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.213 -4.894 8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 16 14.577 -6.359 9.481 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.921 -6.063 8.901 1.00 0.00 H new ATOM 246 N TYR A 17 11.232 -4.044 10.086 1.00 0.00 N ATOM 247 CA TYR A 17 10.186 -3.044 9.895 1.00 0.00 C ATOM 248 C TYR A 17 10.151 -2.052 11.069 1.00 0.00 C ATOM 249 O TYR A 17 10.036 -0.851 10.851 1.00 0.00 O ATOM 250 CB TYR A 17 8.827 -3.734 9.675 1.00 0.00 C ATOM 251 CG TYR A 17 7.654 -2.817 9.982 1.00 0.00 C ATOM 252 CD1 TYR A 17 7.169 -2.714 11.302 1.00 0.00 C ATOM 253 CD2 TYR A 17 7.191 -1.927 9.000 1.00 0.00 C ATOM 254 CE1 TYR A 17 6.306 -1.661 11.656 1.00 0.00 C ATOM 255 CE2 TYR A 17 6.336 -0.867 9.346 1.00 0.00 C ATOM 256 CZ TYR A 17 5.916 -0.711 10.686 1.00 0.00 C ATOM 257 OH TYR A 17 5.165 0.361 11.058 1.00 0.00 O ATOM 0 H TYR A 17 10.897 -5.007 10.050 1.00 0.00 H new ATOM 0 HA TYR A 17 10.411 -2.463 9.000 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.758 -4.073 8.641 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.766 -4.620 10.306 1.00 0.00 H new ATOM 0 HD1 TYR A 17 7.460 -3.444 12.042 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.494 -2.058 7.972 1.00 0.00 H new ATOM 0 HE1 TYR A 17 5.942 -1.579 12.669 1.00 0.00 H new ATOM 0 HE2 TYR A 17 6.001 -0.173 8.589 1.00 0.00 H new ATOM 0 HH TYR A 17 5.065 0.970 10.297 1.00 0.00 H new ATOM 267 N ASN A 18 10.246 -2.536 12.308 1.00 0.00 N ATOM 268 CA ASN A 18 10.218 -1.741 13.531 1.00 0.00 C ATOM 269 C ASN A 18 11.378 -0.757 13.527 1.00 0.00 C ATOM 270 O ASN A 18 11.139 0.413 13.827 1.00 0.00 O ATOM 271 CB ASN A 18 10.209 -2.682 14.753 1.00 0.00 C ATOM 272 CG ASN A 18 10.527 -2.100 16.120 1.00 0.00 C ATOM 273 OD1 ASN A 18 10.881 -2.846 17.024 1.00 0.00 O ATOM 274 ND2 ASN A 18 10.339 -0.813 16.330 1.00 0.00 N ATOM 0 H ASN A 18 10.349 -3.534 12.492 1.00 0.00 H new ATOM 0 HA ASN A 18 9.307 -1.145 13.588 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.222 -3.141 14.810 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.923 -3.483 14.560 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.489 -0.421 17.260 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.044 -0.209 15.563 1.00 0.00 H new ATOM 281 N LEU A 19 12.595 -1.199 13.201 1.00 0.00 N ATOM 282 CA LEU A 19 13.743 -0.316 13.079 1.00 0.00 C ATOM 283 C LEU A 19 13.494 0.721 11.994 1.00 0.00 C ATOM 284 O LEU A 19 13.763 1.895 12.217 1.00 0.00 O ATOM 285 CB LEU A 19 15.035 -1.084 12.770 1.00 0.00 C ATOM 286 CG LEU A 19 15.751 -1.720 13.973 1.00 0.00 C ATOM 287 CD1 LEU A 19 14.912 -2.607 14.899 1.00 0.00 C ATOM 288 CD2 LEU A 19 16.919 -2.533 13.413 1.00 0.00 C ATOM 0 H LEU A 19 12.806 -2.180 13.016 1.00 0.00 H new ATOM 0 HA LEU A 19 13.872 0.178 14.042 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.802 -1.872 12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.730 -0.402 12.279 1.00 0.00 H new ATOM 0 HG LEU A 19 16.047 -0.893 14.619 1.00 0.00 H new ATOM 0 HD11 LEU A 19 15.540 -2.990 15.704 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.096 -2.021 15.323 1.00 0.00 H new ATOM 0 HD13 LEU A 19 14.502 -3.442 14.330 1.00 0.00 H new ATOM 0 HD21 LEU A 19 17.460 -3.005 14.233 1.00 0.00 H new ATOM 0 HD22 LEU A 19 16.538 -3.301 12.740 1.00 0.00 H new ATOM 0 HD23 LEU A 19 17.593 -1.873 12.867 1.00 0.00 H new ATOM 300 N VAL A 20 13.005 0.307 10.826 1.00 0.00 N ATOM 301 CA VAL A 20 12.731 1.199 9.703 1.00 0.00 C ATOM 302 C VAL A 20 11.689 2.246 10.099 1.00 0.00 C ATOM 303 O VAL A 20 11.824 3.409 9.725 1.00 0.00 O ATOM 304 CB VAL A 20 12.361 0.348 8.476 1.00 0.00 C ATOM 305 CG1 VAL A 20 11.796 1.153 7.308 1.00 0.00 C ATOM 306 CG2 VAL A 20 13.620 -0.350 7.959 1.00 0.00 C ATOM 0 H VAL A 20 12.786 -0.670 10.632 1.00 0.00 H new ATOM 0 HA VAL A 20 13.614 1.775 9.426 1.00 0.00 H new ATOM 0 HB VAL A 20 11.591 -0.345 8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.560 0.481 6.483 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.890 1.669 7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.534 1.885 6.980 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.369 -0.956 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 20 14.361 0.398 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.028 -0.990 8.741 1.00 0.00 H new ATOM 316 N ARG A 21 10.663 1.867 10.867 1.00 0.00 N ATOM 317 CA ARG A 21 9.679 2.818 11.362 1.00 0.00 C ATOM 318 C ARG A 21 10.377 3.811 12.271 1.00 0.00 C ATOM 319 O ARG A 21 10.107 5.008 12.162 1.00 0.00 O ATOM 320 CB ARG A 21 8.542 2.100 12.116 1.00 0.00 C ATOM 321 CG ARG A 21 7.336 3.009 12.442 1.00 0.00 C ATOM 322 CD ARG A 21 7.307 3.613 13.864 1.00 0.00 C ATOM 323 NE ARG A 21 8.110 4.846 14.026 1.00 0.00 N ATOM 324 CZ ARG A 21 8.612 5.363 15.157 1.00 0.00 C ATOM 325 NH1 ARG A 21 8.377 4.762 16.323 1.00 0.00 N ATOM 326 NH2 ARG A 21 9.357 6.465 15.133 1.00 0.00 N ATOM 0 H ARG A 21 10.497 0.903 11.157 1.00 0.00 H new ATOM 0 HA ARG A 21 9.229 3.342 10.518 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.198 1.257 11.517 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.938 1.690 13.045 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.317 3.826 11.721 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.422 2.433 12.295 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.273 3.831 14.131 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.668 2.865 14.570 1.00 0.00 H new ATOM 0 HE ARG A 21 8.306 5.367 13.171 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.816 3.910 16.354 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.758 5.153 17.184 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.553 6.929 14.246 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.732 6.846 16.002 1.00 0.00 H new ATOM 340 N ASP A 22 11.178 3.299 13.206 1.00 0.00 N ATOM 341 CA ASP A 22 11.851 4.083 14.221 1.00 0.00 C ATOM 342 C ASP A 22 12.688 5.217 13.641 1.00 0.00 C ATOM 343 O ASP A 22 13.408 5.081 12.656 1.00 0.00 O ATOM 344 CB ASP A 22 12.661 3.223 15.191 1.00 0.00 C ATOM 345 CG ASP A 22 13.226 4.103 16.307 1.00 0.00 C ATOM 346 OD1 ASP A 22 12.500 5.024 16.754 1.00 0.00 O ATOM 347 OD2 ASP A 22 14.403 3.882 16.662 1.00 0.00 O ATOM 0 H ASP A 22 11.376 2.301 13.273 1.00 0.00 H new ATOM 0 HA ASP A 22 11.054 4.550 14.800 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.030 2.442 15.614 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.473 2.725 14.661 1.00 0.00 H new ATOM 352 N ASP A 23 12.545 6.364 14.286 1.00 0.00 N ATOM 353 CA ASP A 23 13.179 7.623 13.961 1.00 0.00 C ATOM 354 C ASP A 23 14.561 7.704 14.610 1.00 0.00 C ATOM 355 O ASP A 23 15.420 8.423 14.105 1.00 0.00 O ATOM 356 CB ASP A 23 12.244 8.764 14.402 1.00 0.00 C ATOM 357 CG ASP A 23 11.128 9.008 13.375 1.00 0.00 C ATOM 358 OD1 ASP A 23 10.292 8.098 13.154 1.00 0.00 O ATOM 359 OD2 ASP A 23 11.152 10.053 12.696 1.00 0.00 O ATOM 0 H ASP A 23 11.941 6.440 15.105 1.00 0.00 H new ATOM 0 HA ASP A 23 13.342 7.711 12.887 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.803 8.521 15.369 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.822 9.678 14.536 1.00 0.00 H new ATOM 364 N GLY A 24 14.811 6.940 15.682 1.00 0.00 N ATOM 365 CA GLY A 24 16.108 6.864 16.345 1.00 0.00 C ATOM 366 C GLY A 24 17.075 5.900 15.655 1.00 0.00 C ATOM 367 O GLY A 24 18.251 5.847 16.028 1.00 0.00 O ATOM 0 H GLY A 24 14.101 6.349 16.116 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.554 7.858 16.375 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.964 6.548 17.378 1.00 0.00 H new ATOM 371 N SER A 25 16.615 5.130 14.669 1.00 0.00 N ATOM 372 CA SER A 25 17.461 4.241 13.893 1.00 0.00 C ATOM 373 C SER A 25 18.171 5.056 12.810 1.00 0.00 C ATOM 374 O SER A 25 17.563 5.938 12.190 1.00 0.00 O ATOM 375 CB SER A 25 16.584 3.148 13.284 1.00 0.00 C ATOM 376 OG SER A 25 17.373 2.099 12.758 1.00 0.00 O ATOM 0 H SER A 25 15.635 5.110 14.389 1.00 0.00 H new ATOM 0 HA SER A 25 18.219 3.771 14.519 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.908 2.754 14.043 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.964 3.572 12.494 1.00 0.00 H new ATOM 0 HG SER A 25 16.806 1.492 12.238 1.00 0.00 H new ATOM 382 N ALA A 26 19.451 4.760 12.574 1.00 0.00 N ATOM 383 CA ALA A 26 20.234 5.385 11.520 1.00 0.00 C ATOM 384 C ALA A 26 19.864 4.791 10.167 1.00 0.00 C ATOM 385 O ALA A 26 19.872 5.514 9.172 1.00 0.00 O ATOM 386 CB ALA A 26 21.730 5.187 11.766 1.00 0.00 C ATOM 0 H ALA A 26 19.973 4.072 13.118 1.00 0.00 H new ATOM 0 HA ALA A 26 20.012 6.452 11.523 1.00 0.00 H new ATOM 0 HB1 ALA A 26 22.296 5.663 10.965 1.00 0.00 H new ATOM 0 HB2 ALA A 26 22.004 5.636 12.721 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.957 4.121 11.788 1.00 0.00 H new ATOM 392 N VAL A 27 19.564 3.489 10.124 1.00 0.00 N ATOM 393 CA VAL A 27 19.134 2.789 8.924 1.00 0.00 C ATOM 394 C VAL A 27 17.889 3.475 8.370 1.00 0.00 C ATOM 395 O VAL A 27 16.944 3.755 9.113 1.00 0.00 O ATOM 396 CB VAL A 27 18.909 1.296 9.258 1.00 0.00 C ATOM 397 CG1 VAL A 27 17.998 0.550 8.273 1.00 0.00 C ATOM 398 CG2 VAL A 27 20.265 0.579 9.294 1.00 0.00 C ATOM 0 H VAL A 27 19.617 2.885 10.944 1.00 0.00 H new ATOM 0 HA VAL A 27 19.897 2.829 8.147 1.00 0.00 H new ATOM 0 HB VAL A 27 18.404 1.282 10.224 1.00 0.00 H new ATOM 0 HG11 VAL A 27 17.897 -0.489 8.586 1.00 0.00 H new ATOM 0 HG12 VAL A 27 17.015 1.021 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.434 0.587 7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.113 -0.474 9.529 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.749 0.668 8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.897 1.034 10.057 1.00 0.00 H new ATOM 408 N ILE A 28 17.878 3.721 7.061 1.00 0.00 N ATOM 409 CA ILE A 28 16.737 4.286 6.369 1.00 0.00 C ATOM 410 C ILE A 28 16.196 3.274 5.357 1.00 0.00 C ATOM 411 O ILE A 28 15.015 3.335 5.032 1.00 0.00 O ATOM 412 CB ILE A 28 17.073 5.669 5.768 1.00 0.00 C ATOM 413 CG1 ILE A 28 17.823 5.619 4.417 1.00 0.00 C ATOM 414 CG2 ILE A 28 17.847 6.539 6.773 1.00 0.00 C ATOM 415 CD1 ILE A 28 16.831 5.750 3.253 1.00 0.00 C ATOM 0 H ILE A 28 18.673 3.529 6.451 1.00 0.00 H new ATOM 0 HA ILE A 28 15.932 4.479 7.078 1.00 0.00 H new ATOM 0 HB ILE A 28 16.105 6.123 5.556 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.557 6.423 4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.372 4.681 4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.069 7.506 6.322 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.242 6.687 7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 28 18.779 6.042 7.043 1.00 0.00 H new ATOM 0 HD11 ILE A 28 17.372 5.713 2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 28 16.114 4.930 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 28 16.302 6.700 3.331 1.00 0.00 H new ATOM 427 N TRP A 29 17.003 2.324 4.866 1.00 0.00 N ATOM 428 CA TRP A 29 16.526 1.305 3.947 1.00 0.00 C ATOM 429 C TRP A 29 16.951 -0.072 4.419 1.00 0.00 C ATOM 430 O TRP A 29 18.034 -0.263 4.973 1.00 0.00 O ATOM 431 CB TRP A 29 16.997 1.574 2.511 1.00 0.00 C ATOM 432 CG TRP A 29 18.465 1.456 2.249 1.00 0.00 C ATOM 433 CD1 TRP A 29 19.338 2.484 2.181 1.00 0.00 C ATOM 434 CD2 TRP A 29 19.253 0.243 2.040 1.00 0.00 C ATOM 435 NE1 TRP A 29 20.605 1.986 1.967 1.00 0.00 N ATOM 436 CE2 TRP A 29 20.623 0.612 1.938 1.00 0.00 C ATOM 437 CE3 TRP A 29 18.955 -1.134 1.963 1.00 0.00 C ATOM 438 CZ2 TRP A 29 21.655 -0.334 1.855 1.00 0.00 C ATOM 439 CZ3 TRP A 29 19.979 -2.094 1.863 1.00 0.00 C ATOM 440 CH2 TRP A 29 21.328 -1.699 1.836 1.00 0.00 C ATOM 0 H TRP A 29 17.994 2.248 5.097 1.00 0.00 H new ATOM 0 HA TRP A 29 15.437 1.342 3.937 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.477 0.883 1.848 1.00 0.00 H new ATOM 0 HB3 TRP A 29 16.682 2.580 2.233 1.00 0.00 H new ATOM 0 HD1 TRP A 29 19.084 3.529 2.279 1.00 0.00 H new ATOM 0 HE1 TRP A 29 21.433 2.569 1.844 1.00 0.00 H new ATOM 0 HE3 TRP A 29 17.924 -1.456 1.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 22.686 -0.017 1.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 19.727 -3.143 1.807 1.00 0.00 H new ATOM 0 HH2 TRP A 29 22.110 -2.443 1.801 1.00 0.00 H new ATOM 451 N VAL A 30 16.084 -1.038 4.158 1.00 0.00 N ATOM 452 CA VAL A 30 16.299 -2.454 4.429 1.00 0.00 C ATOM 453 C VAL A 30 15.790 -3.221 3.211 1.00 0.00 C ATOM 454 O VAL A 30 15.153 -2.658 2.319 1.00 0.00 O ATOM 455 CB VAL A 30 15.632 -2.866 5.769 1.00 0.00 C ATOM 456 CG1 VAL A 30 15.873 -4.339 6.144 1.00 0.00 C ATOM 457 CG2 VAL A 30 16.166 -2.031 6.939 1.00 0.00 C ATOM 0 H VAL A 30 15.175 -0.851 3.735 1.00 0.00 H new ATOM 0 HA VAL A 30 17.354 -2.690 4.569 1.00 0.00 H new ATOM 0 HB VAL A 30 14.567 -2.698 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 30 15.379 -4.559 7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 30 15.467 -4.984 5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 30 16.944 -4.519 6.243 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.679 -2.345 7.862 1.00 0.00 H new ATOM 0 HG22 VAL A 30 17.242 -2.177 7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 30 15.957 -0.977 6.759 1.00 0.00 H new ATOM 467 N THR A 31 16.095 -4.505 3.130 1.00 0.00 N ATOM 468 CA THR A 31 15.619 -5.395 2.096 1.00 0.00 C ATOM 469 C THR A 31 15.101 -6.651 2.776 1.00 0.00 C ATOM 470 O THR A 31 15.417 -6.922 3.937 1.00 0.00 O ATOM 471 CB THR A 31 16.705 -5.679 1.046 1.00 0.00 C ATOM 472 OG1 THR A 31 17.835 -6.243 1.659 1.00 0.00 O ATOM 473 CG2 THR A 31 17.173 -4.441 0.283 1.00 0.00 C ATOM 0 H THR A 31 16.701 -4.968 3.807 1.00 0.00 H new ATOM 0 HA THR A 31 14.807 -4.933 1.535 1.00 0.00 H new ATOM 0 HB THR A 31 16.240 -6.360 0.334 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.172 -5.633 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 31 17.939 -4.726 -0.438 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.328 -3.996 -0.242 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.587 -3.716 0.984 1.00 0.00 H new ATOM 481 N PHE A 32 14.283 -7.407 2.060 1.00 0.00 N ATOM 482 CA PHE A 32 13.653 -8.612 2.540 1.00 0.00 C ATOM 483 C PHE A 32 13.823 -9.616 1.408 1.00 0.00 C ATOM 484 O PHE A 32 13.510 -9.316 0.252 1.00 0.00 O ATOM 485 CB PHE A 32 12.192 -8.316 2.914 1.00 0.00 C ATOM 486 CG PHE A 32 12.024 -7.437 4.152 1.00 0.00 C ATOM 487 CD1 PHE A 32 12.248 -6.043 4.106 1.00 0.00 C ATOM 488 CD2 PHE A 32 11.645 -8.019 5.374 1.00 0.00 C ATOM 489 CE1 PHE A 32 12.109 -5.247 5.259 1.00 0.00 C ATOM 490 CE2 PHE A 32 11.469 -7.211 6.512 1.00 0.00 C ATOM 491 CZ PHE A 32 11.699 -5.830 6.468 1.00 0.00 C ATOM 0 H PHE A 32 14.036 -7.184 1.096 1.00 0.00 H new ATOM 0 HA PHE A 32 14.093 -9.016 3.452 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.705 -7.830 2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.674 -9.260 3.081 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.530 -5.581 3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.489 -9.086 5.439 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.318 -4.188 5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.150 -7.665 7.439 1.00 0.00 H new ATOM 0 HZ PHE A 32 11.563 -5.223 7.351 1.00 0.00 H new ATOM 501 N LYS A 33 14.430 -10.756 1.726 1.00 0.00 N ATOM 502 CA LYS A 33 14.756 -11.820 0.792 1.00 0.00 C ATOM 503 C LYS A 33 13.666 -12.878 0.934 1.00 0.00 C ATOM 504 O LYS A 33 12.798 -12.790 1.804 1.00 0.00 O ATOM 505 CB LYS A 33 16.156 -12.399 1.099 1.00 0.00 C ATOM 506 CG LYS A 33 17.298 -11.365 1.119 1.00 0.00 C ATOM 507 CD LYS A 33 18.285 -11.527 -0.049 1.00 0.00 C ATOM 508 CE LYS A 33 19.203 -10.298 -0.167 1.00 0.00 C ATOM 509 NZ LYS A 33 20.358 -10.542 -1.057 1.00 0.00 N ATOM 0 H LYS A 33 14.718 -10.969 2.681 1.00 0.00 H new ATOM 0 HA LYS A 33 14.792 -11.452 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.122 -12.899 2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.389 -13.161 0.355 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.872 -10.362 1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 33 17.842 -11.452 2.060 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.888 -12.423 0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.734 -11.665 -0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.628 -9.453 -0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.563 -10.020 0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 20.947 -9.686 -1.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.924 -11.331 -0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 20.017 -10.781 -2.010 1.00 0.00 H new ATOM 523 N TYR A 34 13.730 -13.904 0.102 1.00 0.00 N ATOM 524 CA TYR A 34 12.811 -15.021 0.131 1.00 0.00 C ATOM 525 C TYR A 34 13.636 -16.259 0.385 1.00 0.00 C ATOM 526 O TYR A 34 14.703 -16.428 -0.216 1.00 0.00 O ATOM 527 CB TYR A 34 12.102 -15.146 -1.226 1.00 0.00 C ATOM 528 CG TYR A 34 11.071 -14.071 -1.453 1.00 0.00 C ATOM 529 CD1 TYR A 34 11.471 -12.734 -1.635 1.00 0.00 C ATOM 530 CD2 TYR A 34 9.708 -14.397 -1.379 1.00 0.00 C ATOM 531 CE1 TYR A 34 10.514 -11.712 -1.635 1.00 0.00 C ATOM 532 CE2 TYR A 34 8.748 -13.380 -1.440 1.00 0.00 C ATOM 533 CZ TYR A 34 9.146 -12.028 -1.540 1.00 0.00 C ATOM 534 OH TYR A 34 8.229 -11.025 -1.482 1.00 0.00 O ATOM 0 H TYR A 34 14.439 -13.982 -0.627 1.00 0.00 H new ATOM 0 HA TYR A 34 12.054 -14.885 0.903 1.00 0.00 H new ATOM 0 HB2 TYR A 34 12.845 -15.104 -2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.621 -16.122 -1.290 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.515 -12.497 -1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.401 -15.427 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 34 10.826 -10.681 -1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.698 -13.630 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 34 8.445 -10.345 -2.154 1.00 0.00 H new ATOM 544 N ASP A 35 13.125 -17.151 1.221 1.00 0.00 N ATOM 545 CA ASP A 35 13.805 -18.383 1.563 1.00 0.00 C ATOM 546 C ASP A 35 12.755 -19.478 1.626 1.00 0.00 C ATOM 547 O ASP A 35 11.818 -19.382 2.416 1.00 0.00 O ATOM 548 CB ASP A 35 14.476 -18.150 2.921 1.00 0.00 C ATOM 549 CG ASP A 35 15.155 -19.380 3.498 1.00 0.00 C ATOM 550 OD1 ASP A 35 15.633 -20.251 2.736 1.00 0.00 O ATOM 551 OD2 ASP A 35 15.260 -19.452 4.745 1.00 0.00 O ATOM 0 H ASP A 35 12.222 -17.036 1.681 1.00 0.00 H new ATOM 0 HA ASP A 35 14.563 -18.678 0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.215 -17.356 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.726 -17.797 3.629 1.00 0.00 H new ATOM 556 N GLY A 36 12.928 -20.541 0.842 1.00 0.00 N ATOM 557 CA GLY A 36 11.989 -21.645 0.712 1.00 0.00 C ATOM 558 C GLY A 36 10.542 -21.203 0.511 1.00 0.00 C ATOM 559 O GLY A 36 10.137 -20.871 -0.606 1.00 0.00 O ATOM 0 H GLY A 36 13.758 -20.658 0.260 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.289 -22.268 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.048 -22.267 1.605 1.00 0.00 H new ATOM 563 N SER A 37 9.776 -21.202 1.597 1.00 0.00 N ATOM 564 CA SER A 37 8.356 -20.910 1.686 1.00 0.00 C ATOM 565 C SER A 37 8.076 -19.717 2.620 1.00 0.00 C ATOM 566 O SER A 37 6.976 -19.624 3.177 1.00 0.00 O ATOM 567 CB SER A 37 7.625 -22.206 2.093 1.00 0.00 C ATOM 568 OG SER A 37 8.395 -23.024 2.967 1.00 0.00 O ATOM 0 H SER A 37 10.169 -21.424 2.512 1.00 0.00 H new ATOM 0 HA SER A 37 7.970 -20.590 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.684 -21.949 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.376 -22.774 1.197 1.00 0.00 H new ATOM 0 HG SER A 37 7.886 -23.830 3.195 1.00 0.00 H new ATOM 574 N THR A 38 9.034 -18.799 2.819 1.00 0.00 N ATOM 575 CA THR A 38 8.823 -17.638 3.672 1.00 0.00 C ATOM 576 C THR A 38 9.620 -16.396 3.243 1.00 0.00 C ATOM 577 O THR A 38 10.533 -16.472 2.414 1.00 0.00 O ATOM 578 CB THR A 38 9.097 -18.074 5.122 1.00 0.00 C ATOM 579 OG1 THR A 38 8.477 -17.201 6.032 1.00 0.00 O ATOM 580 CG2 THR A 38 10.584 -18.160 5.479 1.00 0.00 C ATOM 0 H THR A 38 9.961 -18.846 2.396 1.00 0.00 H new ATOM 0 HA THR A 38 7.790 -17.303 3.577 1.00 0.00 H new ATOM 0 HB THR A 38 8.681 -19.079 5.195 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.662 -17.497 6.948 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.691 -18.474 6.517 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.073 -18.885 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.047 -17.182 5.345 1.00 0.00 H new ATOM 588 N ILE A 39 9.244 -15.247 3.813 1.00 0.00 N ATOM 589 CA ILE A 39 9.891 -13.946 3.652 1.00 0.00 C ATOM 590 C ILE A 39 10.889 -13.835 4.802 1.00 0.00 C ATOM 591 O ILE A 39 10.507 -14.066 5.955 1.00 0.00 O ATOM 592 CB ILE A 39 8.881 -12.775 3.777 1.00 0.00 C ATOM 593 CG1 ILE A 39 7.638 -12.885 2.876 1.00 0.00 C ATOM 594 CG2 ILE A 39 9.566 -11.410 3.562 1.00 0.00 C ATOM 595 CD1 ILE A 39 7.904 -12.874 1.386 1.00 0.00 C ATOM 0 H ILE A 39 8.435 -15.200 4.433 1.00 0.00 H new ATOM 0 HA ILE A 39 10.351 -13.881 2.666 1.00 0.00 H new ATOM 0 HB ILE A 39 8.515 -12.850 4.801 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.111 -13.806 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.966 -12.060 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.828 -10.614 3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.346 -11.273 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.009 -11.378 2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.960 -12.956 0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.398 -11.942 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 39 8.546 -13.716 1.125 1.00 0.00 H new ATOM 607 N VAL A 40 12.120 -13.424 4.508 1.00 0.00 N ATOM 608 CA VAL A 40 13.158 -13.192 5.520 1.00 0.00 C ATOM 609 C VAL A 40 13.752 -11.782 5.377 1.00 0.00 C ATOM 610 O VAL A 40 13.590 -11.177 4.319 1.00 0.00 O ATOM 611 CB VAL A 40 14.232 -14.292 5.430 1.00 0.00 C ATOM 612 CG1 VAL A 40 13.618 -15.689 5.441 1.00 0.00 C ATOM 613 CG2 VAL A 40 15.093 -14.202 4.174 1.00 0.00 C ATOM 0 H VAL A 40 12.432 -13.240 3.554 1.00 0.00 H new ATOM 0 HA VAL A 40 12.713 -13.245 6.513 1.00 0.00 H new ATOM 0 HB VAL A 40 14.854 -14.127 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.410 -16.435 5.376 1.00 0.00 H new ATOM 0 HG12 VAL A 40 13.059 -15.833 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.946 -15.798 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.827 -15.008 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.460 -14.292 3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.608 -13.242 4.154 1.00 0.00 H new ATOM 623 N PRO A 41 14.424 -11.207 6.391 1.00 0.00 N ATOM 624 CA PRO A 41 15.081 -9.910 6.233 1.00 0.00 C ATOM 625 C PRO A 41 16.372 -10.095 5.411 1.00 0.00 C ATOM 626 O PRO A 41 16.839 -11.222 5.207 1.00 0.00 O ATOM 627 CB PRO A 41 15.356 -9.417 7.655 1.00 0.00 C ATOM 628 CG PRO A 41 15.524 -10.718 8.433 1.00 0.00 C ATOM 629 CD PRO A 41 14.531 -11.670 7.766 1.00 0.00 C ATOM 0 HA PRO A 41 14.476 -9.180 5.695 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.252 -8.798 7.703 1.00 0.00 H new ATOM 0 HB3 PRO A 41 14.533 -8.817 8.042 1.00 0.00 H new ATOM 0 HG2 PRO A 41 16.545 -11.094 8.368 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.301 -10.583 9.491 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.884 -12.700 7.808 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.563 -11.644 8.267 1.00 0.00 H new ATOM 637 N GLY A 42 16.962 -8.994 4.950 1.00 0.00 N ATOM 638 CA GLY A 42 18.136 -8.968 4.091 1.00 0.00 C ATOM 639 C GLY A 42 19.115 -7.868 4.489 1.00 0.00 C ATOM 640 O GLY A 42 19.421 -7.671 5.662 1.00 0.00 O ATOM 0 H GLY A 42 16.619 -8.060 5.176 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.639 -9.934 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.825 -8.819 3.057 1.00 0.00 H new ATOM 644 N GLU A 43 19.695 -7.223 3.483 1.00 0.00 N ATOM 645 CA GLU A 43 20.641 -6.115 3.585 1.00 0.00 C ATOM 646 C GLU A 43 19.948 -4.880 4.156 1.00 0.00 C ATOM 647 O GLU A 43 18.736 -4.734 3.978 1.00 0.00 O ATOM 648 CB GLU A 43 21.161 -5.780 2.175 1.00 0.00 C ATOM 649 CG GLU A 43 21.823 -6.971 1.475 1.00 0.00 C ATOM 650 CD GLU A 43 23.106 -7.355 2.199 1.00 0.00 C ATOM 651 OE1 GLU A 43 23.020 -8.171 3.142 1.00 0.00 O ATOM 652 OE2 GLU A 43 24.169 -6.820 1.811 1.00 0.00 O ATOM 0 H GLU A 43 19.506 -7.475 2.513 1.00 0.00 H new ATOM 0 HA GLU A 43 21.462 -6.403 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.331 -5.424 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 43 21.879 -4.963 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.138 -7.819 1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 43 22.043 -6.717 0.438 1.00 0.00 H new ATOM 659 N GLN A 44 20.714 -3.966 4.756 1.00 0.00 N ATOM 660 CA GLN A 44 20.229 -2.721 5.341 1.00 0.00 C ATOM 661 C GLN A 44 21.307 -1.635 5.240 1.00 0.00 C ATOM 662 O GLN A 44 22.496 -1.960 5.131 1.00 0.00 O ATOM 663 CB GLN A 44 19.784 -2.980 6.796 1.00 0.00 C ATOM 664 CG GLN A 44 20.819 -3.684 7.691 1.00 0.00 C ATOM 665 CD GLN A 44 20.305 -3.929 9.114 1.00 0.00 C ATOM 666 OE1 GLN A 44 19.206 -4.433 9.332 1.00 0.00 O ATOM 667 NE2 GLN A 44 21.093 -3.601 10.125 1.00 0.00 N ATOM 0 H GLN A 44 21.723 -4.080 4.849 1.00 0.00 H new ATOM 0 HA GLN A 44 19.362 -2.358 4.789 1.00 0.00 H new ATOM 0 HB2 GLN A 44 19.524 -2.025 7.253 1.00 0.00 H new ATOM 0 HB3 GLN A 44 18.876 -3.583 6.778 1.00 0.00 H new ATOM 0 HG2 GLN A 44 21.094 -4.637 7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 44 21.725 -3.079 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 44 22.006 -3.183 9.945 1.00 0.00 H new ATOM 0 HE22 GLN A 44 20.788 -3.767 11.084 1.00 0.00 H new ATOM 676 N GLY A 45 20.915 -0.359 5.305 1.00 0.00 N ATOM 677 CA GLY A 45 21.820 0.777 5.182 1.00 0.00 C ATOM 678 C GLY A 45 21.128 2.115 5.455 1.00 0.00 C ATOM 679 O GLY A 45 19.908 2.189 5.631 1.00 0.00 O ATOM 0 H GLY A 45 19.942 -0.087 5.447 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.649 0.653 5.878 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.245 0.791 4.179 1.00 0.00 H new ATOM 683 N ALA A 46 21.923 3.188 5.468 1.00 0.00 N ATOM 684 CA ALA A 46 21.498 4.565 5.738 1.00 0.00 C ATOM 685 C ALA A 46 21.867 5.533 4.602 1.00 0.00 C ATOM 686 O ALA A 46 21.428 6.682 4.603 1.00 0.00 O ATOM 687 CB ALA A 46 22.140 5.029 7.048 1.00 0.00 C ATOM 0 H ALA A 46 22.924 3.118 5.283 1.00 0.00 H new ATOM 0 HA ALA A 46 20.411 4.572 5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.832 6.053 7.261 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.820 4.377 7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.225 4.988 6.956 1.00 0.00 H new ATOM 693 N GLU A 47 22.659 5.074 3.634 1.00 0.00 N ATOM 694 CA GLU A 47 23.099 5.792 2.446 1.00 0.00 C ATOM 695 C GLU A 47 22.594 4.938 1.280 1.00 0.00 C ATOM 696 O GLU A 47 22.662 3.709 1.353 1.00 0.00 O ATOM 697 CB GLU A 47 24.623 5.992 2.544 1.00 0.00 C ATOM 698 CG GLU A 47 25.283 6.610 1.301 1.00 0.00 C ATOM 699 CD GLU A 47 25.974 5.553 0.433 1.00 0.00 C ATOM 700 OE1 GLU A 47 25.320 4.545 0.091 1.00 0.00 O ATOM 701 OE2 GLU A 47 27.148 5.733 0.048 1.00 0.00 O ATOM 0 H GLU A 47 23.034 4.126 3.664 1.00 0.00 H new ATOM 0 HA GLU A 47 22.707 6.801 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 47 24.835 6.629 3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.088 5.026 2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 47 24.528 7.128 0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 47 26.013 7.358 1.612 1.00 0.00 H new ATOM 708 N TYR A 48 22.004 5.564 0.256 1.00 0.00 N ATOM 709 CA TYR A 48 21.387 4.863 -0.873 1.00 0.00 C ATOM 710 C TYR A 48 22.339 4.500 -2.018 1.00 0.00 C ATOM 711 O TYR A 48 21.978 3.667 -2.842 1.00 0.00 O ATOM 712 CB TYR A 48 20.212 5.712 -1.389 1.00 0.00 C ATOM 713 CG TYR A 48 19.274 4.981 -2.338 1.00 0.00 C ATOM 714 CD1 TYR A 48 18.247 4.160 -1.834 1.00 0.00 C ATOM 715 CD2 TYR A 48 19.423 5.127 -3.730 1.00 0.00 C ATOM 716 CE1 TYR A 48 17.393 3.479 -2.721 1.00 0.00 C ATOM 717 CE2 TYR A 48 18.603 4.411 -4.622 1.00 0.00 C ATOM 718 CZ TYR A 48 17.585 3.570 -4.118 1.00 0.00 C ATOM 719 OH TYR A 48 16.761 2.878 -4.952 1.00 0.00 O ATOM 0 H TYR A 48 21.941 6.580 0.188 1.00 0.00 H new ATOM 0 HA TYR A 48 21.048 3.899 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 48 19.637 6.071 -0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.610 6.590 -1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 48 18.115 4.053 -0.767 1.00 0.00 H new ATOM 0 HD2 TYR A 48 20.176 5.797 -4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.583 2.881 -2.330 1.00 0.00 H new ATOM 0 HE2 TYR A 48 18.751 4.504 -5.688 1.00 0.00 H new ATOM 0 HH TYR A 48 16.562 3.423 -5.742 1.00 0.00 H new ATOM 729 N GLN A 49 23.547 5.059 -2.096 1.00 0.00 N ATOM 730 CA GLN A 49 24.508 4.772 -3.162 1.00 0.00 C ATOM 731 C GLN A 49 24.762 3.257 -3.231 1.00 0.00 C ATOM 732 O GLN A 49 24.691 2.638 -4.299 1.00 0.00 O ATOM 733 CB GLN A 49 25.800 5.539 -2.858 1.00 0.00 C ATOM 734 CG GLN A 49 26.707 5.761 -4.061 1.00 0.00 C ATOM 735 CD GLN A 49 28.055 6.404 -3.697 1.00 0.00 C ATOM 736 OE1 GLN A 49 28.758 6.887 -4.577 1.00 0.00 O ATOM 737 NE2 GLN A 49 28.456 6.465 -2.431 1.00 0.00 N ATOM 0 H GLN A 49 23.890 5.733 -1.412 1.00 0.00 H new ATOM 0 HA GLN A 49 24.122 5.089 -4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.539 6.508 -2.433 1.00 0.00 H new ATOM 0 HB3 GLN A 49 26.358 4.996 -2.095 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.889 4.805 -4.551 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.193 6.396 -4.783 1.00 0.00 H new ATOM 0 HE21 GLN A 49 27.877 6.065 -1.693 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.343 6.911 -2.198 1.00 0.00 H new ATOM 746 N HIS A 50 24.952 2.646 -2.059 1.00 0.00 N ATOM 747 CA HIS A 50 25.202 1.224 -1.910 1.00 0.00 C ATOM 748 C HIS A 50 24.029 0.382 -2.403 1.00 0.00 C ATOM 749 O HIS A 50 24.235 -0.769 -2.779 1.00 0.00 O ATOM 750 CB HIS A 50 25.583 0.911 -0.459 1.00 0.00 C ATOM 751 CG HIS A 50 26.997 1.353 -0.185 1.00 0.00 C ATOM 752 ND1 HIS A 50 27.435 2.654 -0.069 1.00 0.00 N ATOM 753 CD2 HIS A 50 28.102 0.546 -0.221 1.00 0.00 C ATOM 754 CE1 HIS A 50 28.775 2.632 -0.053 1.00 0.00 C ATOM 755 NE2 HIS A 50 29.230 1.367 -0.146 1.00 0.00 N ATOM 0 H HIS A 50 24.934 3.145 -1.170 1.00 0.00 H new ATOM 0 HA HIS A 50 26.045 0.952 -2.545 1.00 0.00 H new ATOM 0 HB2 HIS A 50 24.898 1.417 0.222 1.00 0.00 H new ATOM 0 HB3 HIS A 50 25.486 -0.159 -0.273 1.00 0.00 H new ATOM 0 HD2 HIS A 50 28.102 -0.532 -0.294 1.00 0.00 H new ATOM 0 HE1 HIS A 50 29.403 3.507 0.024 1.00 0.00 H new ATOM 0 HE2 HIS A 50 30.205 1.068 -0.159 1.00 0.00 H new ATOM 763 N PHE A 51 22.815 0.931 -2.455 1.00 0.00 N ATOM 764 CA PHE A 51 21.658 0.233 -2.995 1.00 0.00 C ATOM 765 C PHE A 51 21.933 -0.057 -4.473 1.00 0.00 C ATOM 766 O PHE A 51 21.889 -1.211 -4.904 1.00 0.00 O ATOM 767 CB PHE A 51 20.393 1.093 -2.815 1.00 0.00 C ATOM 768 CG PHE A 51 19.072 0.348 -2.859 1.00 0.00 C ATOM 769 CD1 PHE A 51 18.776 -0.529 -3.918 1.00 0.00 C ATOM 770 CD2 PHE A 51 18.093 0.596 -1.879 1.00 0.00 C ATOM 771 CE1 PHE A 51 17.504 -1.098 -4.044 1.00 0.00 C ATOM 772 CE2 PHE A 51 16.801 0.064 -2.028 1.00 0.00 C ATOM 773 CZ PHE A 51 16.500 -0.752 -3.134 1.00 0.00 C ATOM 0 H PHE A 51 22.611 1.873 -2.122 1.00 0.00 H new ATOM 0 HA PHE A 51 21.488 -0.705 -2.467 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.463 1.612 -1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.383 1.857 -3.593 1.00 0.00 H new ATOM 0 HD1 PHE A 51 19.540 -0.766 -4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 51 18.334 1.195 -1.013 1.00 0.00 H new ATOM 0 HE1 PHE A 51 17.299 -1.800 -4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.039 0.281 -1.294 1.00 0.00 H new ATOM 0 HZ PHE A 51 15.492 -1.112 -3.280 1.00 0.00 H new ATOM 783 N ILE A 52 22.239 0.982 -5.254 1.00 0.00 N ATOM 784 CA ILE A 52 22.441 0.865 -6.694 1.00 0.00 C ATOM 785 C ILE A 52 23.661 -0.023 -6.978 1.00 0.00 C ATOM 786 O ILE A 52 23.670 -0.768 -7.964 1.00 0.00 O ATOM 787 CB ILE A 52 22.536 2.262 -7.352 1.00 0.00 C ATOM 788 CG1 ILE A 52 21.465 3.272 -6.865 1.00 0.00 C ATOM 789 CG2 ILE A 52 22.371 2.118 -8.868 1.00 0.00 C ATOM 790 CD1 ILE A 52 22.095 4.428 -6.105 1.00 0.00 C ATOM 0 H ILE A 52 22.353 1.932 -4.900 1.00 0.00 H new ATOM 0 HA ILE A 52 21.578 0.378 -7.147 1.00 0.00 H new ATOM 0 HB ILE A 52 23.512 2.654 -7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 52 20.910 3.657 -7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 52 20.747 2.761 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 52 22.437 3.100 -9.336 1.00 0.00 H new ATOM 0 HG22 ILE A 52 23.159 1.475 -9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 52 21.399 1.676 -9.088 1.00 0.00 H new ATOM 0 HD11 ILE A 52 21.316 5.117 -5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 52 22.628 4.044 -5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 52 22.794 4.953 -6.756 1.00 0.00 H new ATOM 802 N GLN A 53 24.680 0.023 -6.111 1.00 0.00 N ATOM 803 CA GLN A 53 25.854 -0.838 -6.216 1.00 0.00 C ATOM 804 C GLN A 53 25.421 -2.304 -6.070 1.00 0.00 C ATOM 805 O GLN A 53 25.808 -3.144 -6.883 1.00 0.00 O ATOM 806 CB GLN A 53 26.886 -0.469 -5.132 1.00 0.00 C ATOM 807 CG GLN A 53 27.547 0.908 -5.331 1.00 0.00 C ATOM 808 CD GLN A 53 28.144 1.478 -4.039 1.00 0.00 C ATOM 809 OE1 GLN A 53 27.868 2.609 -3.676 1.00 0.00 O ATOM 810 NE2 GLN A 53 28.940 0.721 -3.299 1.00 0.00 N ATOM 0 H GLN A 53 24.709 0.662 -5.316 1.00 0.00 H new ATOM 0 HA GLN A 53 26.321 -0.697 -7.191 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.396 -0.487 -4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 53 27.663 -1.233 -5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 53 28.333 0.823 -6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.808 1.607 -5.722 1.00 0.00 H new ATOM 0 HE21 GLN A 53 29.171 -0.225 -3.602 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.322 1.084 -2.426 1.00 0.00 H new ATOM 819 N GLN A 54 24.613 -2.616 -5.053 1.00 0.00 N ATOM 820 CA GLN A 54 24.170 -3.964 -4.711 1.00 0.00 C ATOM 821 C GLN A 54 23.112 -4.575 -5.634 1.00 0.00 C ATOM 822 O GLN A 54 22.957 -5.792 -5.586 1.00 0.00 O ATOM 823 CB GLN A 54 23.726 -4.037 -3.242 1.00 0.00 C ATOM 824 CG GLN A 54 24.920 -3.891 -2.276 1.00 0.00 C ATOM 825 CD GLN A 54 24.943 -4.966 -1.197 1.00 0.00 C ATOM 826 OE1 GLN A 54 25.903 -5.724 -1.076 1.00 0.00 O ATOM 827 NE2 GLN A 54 23.911 -5.060 -0.383 1.00 0.00 N ATOM 0 H GLN A 54 24.237 -1.907 -4.423 1.00 0.00 H new ATOM 0 HA GLN A 54 25.052 -4.586 -4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.998 -3.250 -3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 54 23.225 -4.988 -3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 54 25.849 -3.934 -2.845 1.00 0.00 H new ATOM 0 HG3 GLN A 54 24.881 -2.910 -1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.118 -4.427 -0.490 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.905 -5.765 0.354 1.00 0.00 H new ATOM 836 N CYS A 55 22.316 -3.808 -6.389 1.00 0.00 N ATOM 837 CA CYS A 55 21.319 -4.359 -7.318 1.00 0.00 C ATOM 838 C CYS A 55 21.960 -5.400 -8.249 1.00 0.00 C ATOM 839 O CYS A 55 22.886 -5.056 -8.992 1.00 0.00 O ATOM 840 CB CYS A 55 20.701 -3.223 -8.134 1.00 0.00 C ATOM 841 SG CYS A 55 19.704 -2.167 -7.054 1.00 0.00 S ATOM 0 H CYS A 55 22.344 -2.788 -6.374 1.00 0.00 H new ATOM 0 HA CYS A 55 20.537 -4.857 -6.744 1.00 0.00 H new ATOM 0 HB2 CYS A 55 21.486 -2.635 -8.609 1.00 0.00 H new ATOM 0 HB3 CYS A 55 20.081 -3.631 -8.932 1.00 0.00 H new ATOM 0 HG CYS A 55 20.452 -1.688 -6.105 1.00 0.00 H new ATOM 847 N THR A 56 21.489 -6.647 -8.226 1.00 0.00 N ATOM 848 CA THR A 56 22.036 -7.774 -8.979 1.00 0.00 C ATOM 849 C THR A 56 21.219 -8.113 -10.245 1.00 0.00 C ATOM 850 O THR A 56 20.075 -7.686 -10.415 1.00 0.00 O ATOM 851 CB THR A 56 22.274 -8.934 -7.987 1.00 0.00 C ATOM 852 OG1 THR A 56 21.226 -9.001 -7.039 1.00 0.00 O ATOM 853 CG2 THR A 56 23.569 -8.738 -7.194 1.00 0.00 C ATOM 0 H THR A 56 20.683 -6.909 -7.659 1.00 0.00 H new ATOM 0 HA THR A 56 23.002 -7.517 -9.414 1.00 0.00 H new ATOM 0 HB THR A 56 22.328 -9.844 -8.584 1.00 0.00 H new ATOM 0 HG1 THR A 56 21.392 -9.742 -6.420 1.00 0.00 H new ATOM 0 HG21 THR A 56 23.704 -9.573 -6.506 1.00 0.00 H new ATOM 0 HG22 THR A 56 24.414 -8.694 -7.882 1.00 0.00 H new ATOM 0 HG23 THR A 56 23.512 -7.808 -6.629 1.00 0.00 H new ATOM 861 N ASP A 57 21.846 -8.896 -11.126 1.00 0.00 N ATOM 862 CA ASP A 57 21.444 -9.342 -12.461 1.00 0.00 C ATOM 863 C ASP A 57 20.050 -9.949 -12.660 1.00 0.00 C ATOM 864 O ASP A 57 19.248 -9.365 -13.395 1.00 0.00 O ATOM 865 CB ASP A 57 22.536 -10.258 -13.044 1.00 0.00 C ATOM 866 CG ASP A 57 22.683 -11.590 -12.309 1.00 0.00 C ATOM 867 OD1 ASP A 57 23.078 -11.569 -11.124 1.00 0.00 O ATOM 868 OD2 ASP A 57 22.377 -12.658 -12.875 1.00 0.00 O ATOM 0 H ASP A 57 22.761 -9.279 -10.890 1.00 0.00 H new ATOM 0 HA ASP A 57 21.342 -8.407 -13.011 1.00 0.00 H new ATOM 0 HB2 ASP A 57 22.310 -10.455 -14.092 1.00 0.00 H new ATOM 0 HB3 ASP A 57 23.490 -9.732 -13.017 1.00 0.00 H new ATOM 873 N ASP A 58 19.803 -11.155 -12.151 1.00 0.00 N ATOM 874 CA ASP A 58 18.564 -11.901 -12.339 1.00 0.00 C ATOM 875 C ASP A 58 17.677 -11.950 -11.114 1.00 0.00 C ATOM 876 O ASP A 58 16.450 -11.897 -11.229 1.00 0.00 O ATOM 877 CB ASP A 58 18.920 -13.341 -12.735 1.00 0.00 C ATOM 878 CG ASP A 58 17.694 -14.246 -12.917 1.00 0.00 C ATOM 879 OD1 ASP A 58 17.132 -14.754 -11.915 1.00 0.00 O ATOM 880 OD2 ASP A 58 17.357 -14.531 -14.090 1.00 0.00 O ATOM 0 H ASP A 58 20.483 -11.654 -11.578 1.00 0.00 H new ATOM 0 HA ASP A 58 18.001 -11.379 -13.113 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.490 -13.324 -13.664 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.568 -13.770 -11.971 1.00 0.00 H new ATOM 885 N VAL A 59 18.287 -12.039 -9.935 1.00 0.00 N ATOM 886 CA VAL A 59 17.553 -12.191 -8.707 1.00 0.00 C ATOM 887 C VAL A 59 16.589 -11.031 -8.519 1.00 0.00 C ATOM 888 O VAL A 59 16.864 -9.881 -8.864 1.00 0.00 O ATOM 889 CB VAL A 59 18.504 -12.403 -7.518 1.00 0.00 C ATOM 890 CG1 VAL A 59 19.642 -13.374 -7.855 1.00 0.00 C ATOM 891 CG2 VAL A 59 19.097 -11.102 -6.990 1.00 0.00 C ATOM 0 H VAL A 59 19.300 -12.007 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 59 16.943 -13.093 -8.761 1.00 0.00 H new ATOM 0 HB VAL A 59 17.883 -12.837 -6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 59 20.288 -13.493 -6.985 1.00 0.00 H new ATOM 0 HG12 VAL A 59 19.224 -14.342 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 59 20.223 -12.978 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 59 19.759 -11.318 -6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.663 -10.612 -7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 59 18.294 -10.444 -6.658 1.00 0.00 H new ATOM 901 N ARG A 60 15.450 -11.358 -7.927 1.00 0.00 N ATOM 902 CA ARG A 60 14.437 -10.392 -7.576 1.00 0.00 C ATOM 903 C ARG A 60 14.568 -10.201 -6.082 1.00 0.00 C ATOM 904 O ARG A 60 14.848 -11.159 -5.351 1.00 0.00 O ATOM 905 CB ARG A 60 13.063 -10.863 -8.060 1.00 0.00 C ATOM 906 CG ARG A 60 12.613 -12.237 -7.530 1.00 0.00 C ATOM 907 CD ARG A 60 11.829 -13.022 -8.597 1.00 0.00 C ATOM 908 NE ARG A 60 12.508 -14.289 -8.920 1.00 0.00 N ATOM 909 CZ ARG A 60 12.226 -15.482 -8.388 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.272 -15.604 -7.467 1.00 0.00 N ATOM 911 NH2 ARG A 60 12.899 -16.552 -8.784 1.00 0.00 N ATOM 0 H ARG A 60 15.207 -12.316 -7.676 1.00 0.00 H new ATOM 0 HA ARG A 60 14.561 -9.425 -8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.320 -10.120 -7.771 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.072 -10.898 -9.149 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.485 -12.813 -7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.991 -12.101 -6.646 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.821 -13.226 -8.237 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.729 -12.418 -9.499 1.00 0.00 H new ATOM 0 HE ARG A 60 13.259 -14.252 -9.610 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.750 -14.783 -7.162 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.064 -16.519 -7.067 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.628 -16.463 -9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.688 -17.465 -8.381 1.00 0.00 H new ATOM 925 N LEU A 61 14.442 -8.963 -5.637 1.00 0.00 N ATOM 926 CA LEU A 61 14.614 -8.574 -4.251 1.00 0.00 C ATOM 927 C LEU A 61 13.566 -7.526 -3.957 1.00 0.00 C ATOM 928 O LEU A 61 12.992 -6.923 -4.861 1.00 0.00 O ATOM 929 CB LEU A 61 16.049 -8.064 -4.032 1.00 0.00 C ATOM 930 CG LEU A 61 16.421 -7.601 -2.612 1.00 0.00 C ATOM 931 CD1 LEU A 61 16.242 -8.743 -1.602 1.00 0.00 C ATOM 932 CD2 LEU A 61 17.885 -7.150 -2.564 1.00 0.00 C ATOM 0 H LEU A 61 14.211 -8.180 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 61 14.481 -9.411 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.738 -8.858 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.220 -7.231 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 61 15.762 -6.772 -2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.511 -8.393 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.202 -9.070 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 61 16.886 -9.578 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.133 -6.826 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.531 -7.981 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.034 -6.322 -3.257 1.00 0.00 H new ATOM 944 N PHE A 62 13.275 -7.334 -2.685 1.00 0.00 N ATOM 945 CA PHE A 62 12.262 -6.389 -2.262 1.00 0.00 C ATOM 946 C PHE A 62 12.955 -5.493 -1.257 1.00 0.00 C ATOM 947 O PHE A 62 13.468 -5.997 -0.256 1.00 0.00 O ATOM 948 CB PHE A 62 11.061 -7.130 -1.648 1.00 0.00 C ATOM 949 CG PHE A 62 10.164 -7.933 -2.584 1.00 0.00 C ATOM 950 CD1 PHE A 62 10.671 -8.947 -3.425 1.00 0.00 C ATOM 951 CD2 PHE A 62 8.771 -7.741 -2.525 1.00 0.00 C ATOM 952 CE1 PHE A 62 9.812 -9.744 -4.197 1.00 0.00 C ATOM 953 CE2 PHE A 62 7.912 -8.552 -3.284 1.00 0.00 C ATOM 954 CZ PHE A 62 8.427 -9.549 -4.126 1.00 0.00 C ATOM 0 H PHE A 62 13.733 -7.827 -1.919 1.00 0.00 H new ATOM 0 HA PHE A 62 11.857 -5.807 -3.090 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.441 -7.809 -0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.439 -6.394 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.737 -9.112 -3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.361 -6.967 -1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 62 10.218 -10.507 -4.845 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.844 -8.407 -3.219 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.760 -10.162 -4.715 1.00 0.00 H new ATOM 964 N ALA A 63 12.961 -4.181 -1.475 1.00 0.00 N ATOM 965 CA ALA A 63 13.518 -3.238 -0.530 1.00 0.00 C ATOM 966 C ALA A 63 12.373 -2.551 0.181 1.00 0.00 C ATOM 967 O ALA A 63 11.229 -2.578 -0.270 1.00 0.00 O ATOM 968 CB ALA A 63 14.441 -2.250 -1.221 1.00 0.00 C ATOM 0 H ALA A 63 12.577 -3.748 -2.315 1.00 0.00 H new ATOM 0 HA ALA A 63 14.132 -3.759 0.204 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.845 -1.554 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.260 -2.789 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.882 -1.697 -1.976 1.00 0.00 H new ATOM 974 N PHE A 64 12.677 -1.942 1.305 1.00 0.00 N ATOM 975 CA PHE A 64 11.749 -1.202 2.113 1.00 0.00 C ATOM 976 C PHE A 64 12.562 0.030 2.490 1.00 0.00 C ATOM 977 O PHE A 64 13.640 -0.120 3.063 1.00 0.00 O ATOM 978 CB PHE A 64 11.368 -2.140 3.271 1.00 0.00 C ATOM 979 CG PHE A 64 10.249 -1.674 4.166 1.00 0.00 C ATOM 980 CD1 PHE A 64 8.996 -1.325 3.622 1.00 0.00 C ATOM 981 CD2 PHE A 64 10.464 -1.591 5.552 1.00 0.00 C ATOM 982 CE1 PHE A 64 7.996 -0.801 4.459 1.00 0.00 C ATOM 983 CE2 PHE A 64 9.464 -1.067 6.384 1.00 0.00 C ATOM 984 CZ PHE A 64 8.249 -0.639 5.833 1.00 0.00 C ATOM 0 H PHE A 64 13.620 -1.953 1.693 1.00 0.00 H new ATOM 0 HA PHE A 64 10.806 -0.882 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 64 11.090 -3.107 2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 64 12.253 -2.302 3.886 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.806 -1.460 2.567 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.398 -1.930 5.976 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.036 -0.524 4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 64 9.630 -0.993 7.449 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.503 -0.182 6.467 1.00 0.00 H new ATOM 994 N VAL A 65 12.074 1.229 2.181 1.00 0.00 N ATOM 995 CA VAL A 65 12.815 2.466 2.407 1.00 0.00 C ATOM 996 C VAL A 65 11.923 3.448 3.163 1.00 0.00 C ATOM 997 O VAL A 65 10.734 3.581 2.846 1.00 0.00 O ATOM 998 CB VAL A 65 13.240 3.060 1.043 1.00 0.00 C ATOM 999 CG1 VAL A 65 14.125 4.304 1.181 1.00 0.00 C ATOM 1000 CG2 VAL A 65 14.005 2.054 0.163 1.00 0.00 C ATOM 0 H VAL A 65 11.153 1.370 1.766 1.00 0.00 H new ATOM 0 HA VAL A 65 13.709 2.270 2.999 1.00 0.00 H new ATOM 0 HB VAL A 65 12.295 3.327 0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.390 4.674 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.583 5.078 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 65 15.033 4.046 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.276 2.528 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.909 1.732 0.680 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.372 1.189 -0.035 1.00 0.00 H new ATOM 1010 N ARG A 66 12.481 4.085 4.188 1.00 0.00 N ATOM 1011 CA ARG A 66 11.863 5.122 4.998 1.00 0.00 C ATOM 1012 C ARG A 66 11.924 6.381 4.145 1.00 0.00 C ATOM 1013 O ARG A 66 13.002 6.909 3.867 1.00 0.00 O ATOM 1014 CB ARG A 66 12.625 5.212 6.332 1.00 0.00 C ATOM 1015 CG ARG A 66 12.337 6.411 7.242 1.00 0.00 C ATOM 1016 CD ARG A 66 13.201 6.263 8.509 1.00 0.00 C ATOM 1017 NE ARG A 66 13.298 7.519 9.258 1.00 0.00 N ATOM 1018 CZ ARG A 66 12.479 7.993 10.199 1.00 0.00 C ATOM 1019 NH1 ARG A 66 11.470 7.270 10.687 1.00 0.00 N ATOM 1020 NH2 ARG A 66 12.698 9.231 10.617 1.00 0.00 N ATOM 0 H ARG A 66 13.433 3.877 4.491 1.00 0.00 H new ATOM 0 HA ARG A 66 10.824 4.935 5.269 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.416 4.304 6.898 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.692 5.210 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.570 7.344 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.279 6.446 7.503 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.775 5.491 9.150 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.200 5.930 8.229 1.00 0.00 H new ATOM 0 HE ARG A 66 14.098 8.109 9.030 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.306 6.325 10.341 1.00 0.00 H new ATOM 0 HH12 ARG A 66 10.862 7.663 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.465 9.775 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.100 9.640 11.335 1.00 0.00 H new ATOM 1034 N PHE A 67 10.759 6.858 3.739 1.00 0.00 N ATOM 1035 CA PHE A 67 10.554 7.985 2.849 1.00 0.00 C ATOM 1036 C PHE A 67 9.816 9.086 3.605 1.00 0.00 C ATOM 1037 O PHE A 67 9.391 8.894 4.740 1.00 0.00 O ATOM 1038 CB PHE A 67 9.834 7.460 1.593 1.00 0.00 C ATOM 1039 CG PHE A 67 9.825 8.454 0.462 1.00 0.00 C ATOM 1040 CD1 PHE A 67 11.028 8.760 -0.195 1.00 0.00 C ATOM 1041 CD2 PHE A 67 8.633 9.097 0.086 1.00 0.00 C ATOM 1042 CE1 PHE A 67 11.052 9.749 -1.186 1.00 0.00 C ATOM 1043 CE2 PHE A 67 8.660 10.087 -0.909 1.00 0.00 C ATOM 1044 CZ PHE A 67 9.873 10.443 -1.515 1.00 0.00 C ATOM 0 H PHE A 67 9.878 6.442 4.042 1.00 0.00 H new ATOM 0 HA PHE A 67 11.485 8.441 2.512 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.319 6.543 1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 67 8.807 7.202 1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 67 11.934 8.233 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.700 8.831 0.561 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.975 9.979 -1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.744 10.575 -1.208 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.903 11.249 -2.233 1.00 0.00 H new ATOM 1054 N THR A 68 9.647 10.252 2.994 1.00 0.00 N ATOM 1055 CA THR A 68 9.040 11.413 3.619 1.00 0.00 C ATOM 1056 C THR A 68 8.008 12.036 2.671 1.00 0.00 C ATOM 1057 O THR A 68 8.331 12.393 1.539 1.00 0.00 O ATOM 1058 CB THR A 68 10.194 12.358 3.988 1.00 0.00 C ATOM 1059 OG1 THR A 68 10.991 11.777 5.006 1.00 0.00 O ATOM 1060 CG2 THR A 68 9.703 13.702 4.509 1.00 0.00 C ATOM 0 H THR A 68 9.935 10.417 2.030 1.00 0.00 H new ATOM 0 HA THR A 68 8.485 11.165 4.524 1.00 0.00 H new ATOM 0 HB THR A 68 10.764 12.517 3.073 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.725 12.385 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 68 10.558 14.331 4.755 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.101 14.191 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.098 13.547 5.402 1.00 0.00 H new ATOM 1128 N SER A 74 3.472 19.708 11.325 1.00 0.00 N ATOM 1129 CA SER A 74 4.538 18.867 11.815 1.00 0.00 C ATOM 1130 C SER A 74 4.961 18.010 10.619 1.00 0.00 C ATOM 1131 O SER A 74 4.141 17.710 9.744 1.00 0.00 O ATOM 1132 CB SER A 74 4.018 18.029 12.982 1.00 0.00 C ATOM 1133 OG SER A 74 3.615 18.879 14.041 1.00 0.00 O ATOM 0 HA SER A 74 5.393 19.427 12.195 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.178 17.416 12.656 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.795 17.347 13.327 1.00 0.00 H new ATOM 0 HG SER A 74 3.352 19.751 13.679 1.00 0.00 H new ATOM 1139 N LYS A 75 6.246 17.653 10.545 1.00 0.00 N ATOM 1140 CA LYS A 75 6.741 16.763 9.494 1.00 0.00 C ATOM 1141 C LYS A 75 6.179 15.359 9.738 1.00 0.00 C ATOM 1142 O LYS A 75 5.626 15.074 10.802 1.00 0.00 O ATOM 1143 CB LYS A 75 8.281 16.795 9.435 1.00 0.00 C ATOM 1144 CG LYS A 75 8.881 17.990 8.659 1.00 0.00 C ATOM 1145 CD LYS A 75 8.358 19.400 8.999 1.00 0.00 C ATOM 1146 CE LYS A 75 9.079 20.446 8.126 1.00 0.00 C ATOM 1147 NZ LYS A 75 8.475 21.802 8.206 1.00 0.00 N ATOM 0 H LYS A 75 6.961 17.967 11.201 1.00 0.00 H new ATOM 0 HA LYS A 75 6.398 17.098 8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 75 8.668 16.812 10.454 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.631 15.871 8.976 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.959 17.985 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.714 17.818 7.596 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.282 19.450 8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.525 19.616 10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.124 20.504 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.067 20.112 7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.007 22.455 7.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.485 21.761 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.509 22.140 9.189 1.00 0.00 H new ATOM 1161 N ARG A 76 6.302 14.481 8.746 1.00 0.00 N ATOM 1162 CA ARG A 76 5.777 13.121 8.781 1.00 0.00 C ATOM 1163 C ARG A 76 6.825 12.198 8.172 1.00 0.00 C ATOM 1164 O ARG A 76 7.752 12.672 7.519 1.00 0.00 O ATOM 1165 CB ARG A 76 4.460 13.027 7.985 1.00 0.00 C ATOM 1166 CG ARG A 76 3.375 14.050 8.375 1.00 0.00 C ATOM 1167 CD ARG A 76 2.065 13.723 7.635 1.00 0.00 C ATOM 1168 NE ARG A 76 1.369 14.919 7.116 1.00 0.00 N ATOM 1169 CZ ARG A 76 0.093 14.966 6.704 1.00 0.00 C ATOM 1170 NH1 ARG A 76 -0.729 13.948 6.961 1.00 0.00 N ATOM 1171 NH2 ARG A 76 -0.377 16.006 6.022 1.00 0.00 N ATOM 0 H ARG A 76 6.782 14.702 7.874 1.00 0.00 H new ATOM 0 HA ARG A 76 5.565 12.830 9.810 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.686 13.149 6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.051 12.024 8.110 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.211 14.028 9.452 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.704 15.058 8.123 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.283 13.050 6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.398 13.189 8.312 1.00 0.00 H new ATOM 0 HE ARG A 76 1.906 15.785 7.067 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.388 13.133 7.471 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.699 13.984 6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.236 16.791 5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.351 16.019 5.719 1.00 0.00 H new ATOM 1185 N SER A 77 6.637 10.894 8.339 1.00 0.00 N ATOM 1186 CA SER A 77 7.473 9.852 7.766 1.00 0.00 C ATOM 1187 C SER A 77 6.544 8.914 6.987 1.00 0.00 C ATOM 1188 O SER A 77 5.324 8.899 7.203 1.00 0.00 O ATOM 1189 CB SER A 77 8.258 9.173 8.902 1.00 0.00 C ATOM 1190 OG SER A 77 9.260 8.312 8.409 1.00 0.00 O ATOM 0 H SER A 77 5.869 10.522 8.898 1.00 0.00 H new ATOM 0 HA SER A 77 8.222 10.228 7.069 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.714 9.935 9.534 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.570 8.607 9.530 1.00 0.00 H new ATOM 0 HG SER A 77 8.962 7.382 8.491 1.00 0.00 H new ATOM 1196 N LYS A 78 7.099 8.168 6.039 1.00 0.00 N ATOM 1197 CA LYS A 78 6.418 7.262 5.124 1.00 0.00 C ATOM 1198 C LYS A 78 7.328 6.075 4.899 1.00 0.00 C ATOM 1199 O LYS A 78 8.503 6.086 5.248 1.00 0.00 O ATOM 1200 CB LYS A 78 6.140 7.917 3.760 1.00 0.00 C ATOM 1201 CG LYS A 78 5.256 9.154 3.821 1.00 0.00 C ATOM 1202 CD LYS A 78 3.772 8.911 4.128 1.00 0.00 C ATOM 1203 CE LYS A 78 2.999 8.731 2.815 1.00 0.00 C ATOM 1204 NZ LYS A 78 1.585 8.355 3.022 1.00 0.00 N ATOM 0 H LYS A 78 8.106 8.182 5.879 1.00 0.00 H new ATOM 0 HA LYS A 78 5.461 6.979 5.563 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.091 8.188 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.669 7.182 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 78 5.658 9.825 4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 78 5.328 9.674 2.866 1.00 0.00 H new ATOM 0 HD2 LYS A 78 3.660 8.025 4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.364 9.751 4.690 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.042 9.659 2.245 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.488 7.964 2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.116 8.248 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.538 7.455 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 1.105 9.097 3.571 1.00 0.00 H new ATOM 1218 N PHE A 79 6.778 5.079 4.222 1.00 0.00 N ATOM 1219 CA PHE A 79 7.462 3.817 3.984 1.00 0.00 C ATOM 1220 C PHE A 79 7.073 3.309 2.604 1.00 0.00 C ATOM 1221 O PHE A 79 5.880 3.177 2.315 1.00 0.00 O ATOM 1222 CB PHE A 79 7.101 2.848 5.125 1.00 0.00 C ATOM 1223 CG PHE A 79 7.521 3.399 6.478 1.00 0.00 C ATOM 1224 CD1 PHE A 79 8.889 3.494 6.788 1.00 0.00 C ATOM 1225 CD2 PHE A 79 6.580 4.040 7.310 1.00 0.00 C ATOM 1226 CE1 PHE A 79 9.326 4.270 7.869 1.00 0.00 C ATOM 1227 CE2 PHE A 79 7.021 4.825 8.391 1.00 0.00 C ATOM 1228 CZ PHE A 79 8.393 4.950 8.667 1.00 0.00 C ATOM 0 H PHE A 79 5.841 5.123 3.821 1.00 0.00 H new ATOM 0 HA PHE A 79 8.547 3.925 3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.026 2.666 5.123 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.587 1.887 4.955 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.611 2.963 6.186 1.00 0.00 H new ATOM 0 HD2 PHE A 79 5.523 3.929 7.118 1.00 0.00 H new ATOM 0 HE1 PHE A 79 10.381 4.345 8.088 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.300 5.335 9.013 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.728 5.566 9.489 1.00 0.00 H new ATOM 1238 N ALA A 80 8.070 3.065 1.755 1.00 0.00 N ATOM 1239 CA ALA A 80 7.931 2.646 0.369 1.00 0.00 C ATOM 1240 C ALA A 80 8.485 1.229 0.235 1.00 0.00 C ATOM 1241 O ALA A 80 9.584 0.946 0.716 1.00 0.00 O ATOM 1242 CB ALA A 80 8.663 3.655 -0.534 1.00 0.00 C ATOM 0 H ALA A 80 9.046 3.161 2.034 1.00 0.00 H new ATOM 0 HA ALA A 80 6.887 2.628 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.564 3.349 -1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.225 4.645 -0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.718 3.687 -0.263 1.00 0.00 H new ATOM 1248 N LEU A 81 7.701 0.330 -0.365 1.00 0.00 N ATOM 1249 CA LEU A 81 8.086 -1.049 -0.661 1.00 0.00 C ATOM 1250 C LEU A 81 8.510 -1.078 -2.121 1.00 0.00 C ATOM 1251 O LEU A 81 7.706 -0.857 -3.015 1.00 0.00 O ATOM 1252 CB LEU A 81 6.909 -1.995 -0.359 1.00 0.00 C ATOM 1253 CG LEU A 81 7.089 -3.503 -0.654 1.00 0.00 C ATOM 1254 CD1 LEU A 81 6.888 -3.929 -2.116 1.00 0.00 C ATOM 1255 CD2 LEU A 81 8.414 -4.070 -0.154 1.00 0.00 C ATOM 0 H LEU A 81 6.752 0.550 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 81 8.914 -1.392 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.660 -1.890 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.047 -1.645 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 81 6.268 -3.934 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.039 -5.005 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.876 -3.677 -2.433 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.607 -3.408 -2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.470 -5.131 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.239 -3.544 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.481 -3.940 0.926 1.00 0.00 H new ATOM 1267 N ILE A 82 9.773 -1.331 -2.390 1.00 0.00 N ATOM 1268 CA ILE A 82 10.318 -1.330 -3.740 1.00 0.00 C ATOM 1269 C ILE A 82 10.485 -2.780 -4.133 1.00 0.00 C ATOM 1270 O ILE A 82 10.936 -3.579 -3.312 1.00 0.00 O ATOM 1271 CB ILE A 82 11.647 -0.553 -3.726 1.00 0.00 C ATOM 1272 CG1 ILE A 82 11.362 0.966 -3.729 1.00 0.00 C ATOM 1273 CG2 ILE A 82 12.628 -0.937 -4.846 1.00 0.00 C ATOM 1274 CD1 ILE A 82 12.083 1.620 -2.556 1.00 0.00 C ATOM 0 H ILE A 82 10.463 -1.547 -1.671 1.00 0.00 H new ATOM 0 HA ILE A 82 9.672 -0.840 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 82 12.157 -0.837 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.697 1.408 -4.668 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.289 1.146 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.535 -0.339 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.881 -1.994 -4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 82 12.165 -0.751 -5.815 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.883 2.691 -2.557 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.727 1.185 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.156 1.452 -2.649 1.00 0.00 H new ATOM 1286 N THR A 83 10.128 -3.135 -5.365 1.00 0.00 N ATOM 1287 CA THR A 83 10.356 -4.492 -5.826 1.00 0.00 C ATOM 1288 C THR A 83 11.354 -4.369 -6.975 1.00 0.00 C ATOM 1289 O THR A 83 11.070 -3.700 -7.975 1.00 0.00 O ATOM 1290 CB THR A 83 9.016 -5.114 -6.255 1.00 0.00 C ATOM 1291 OG1 THR A 83 7.966 -4.729 -5.379 1.00 0.00 O ATOM 1292 CG2 THR A 83 9.104 -6.639 -6.210 1.00 0.00 C ATOM 0 H THR A 83 9.690 -2.514 -6.045 1.00 0.00 H new ATOM 0 HA THR A 83 10.760 -5.151 -5.057 1.00 0.00 H new ATOM 0 HB THR A 83 8.809 -4.762 -7.265 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.126 -5.137 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.150 -7.068 -6.516 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.888 -6.978 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.337 -6.960 -5.195 1.00 0.00 H new ATOM 1300 N TRP A 84 12.484 -5.058 -6.846 1.00 0.00 N ATOM 1301 CA TRP A 84 13.527 -5.161 -7.844 1.00 0.00 C ATOM 1302 C TRP A 84 13.229 -6.472 -8.546 1.00 0.00 C ATOM 1303 O TRP A 84 13.169 -7.514 -7.888 1.00 0.00 O ATOM 1304 CB TRP A 84 14.919 -5.228 -7.181 1.00 0.00 C ATOM 1305 CG TRP A 84 16.012 -5.560 -8.154 1.00 0.00 C ATOM 1306 CD1 TRP A 84 16.786 -6.672 -8.166 1.00 0.00 C ATOM 1307 CD2 TRP A 84 16.386 -4.813 -9.344 1.00 0.00 C ATOM 1308 NE1 TRP A 84 17.564 -6.685 -9.310 1.00 0.00 N ATOM 1309 CE2 TRP A 84 17.317 -5.581 -10.100 1.00 0.00 C ATOM 1310 CE3 TRP A 84 16.007 -3.560 -9.860 1.00 0.00 C ATOM 1311 CZ2 TRP A 84 17.776 -5.161 -11.358 1.00 0.00 C ATOM 1312 CZ3 TRP A 84 16.489 -3.112 -11.101 1.00 0.00 C ATOM 1313 CH2 TRP A 84 17.333 -3.928 -11.874 1.00 0.00 C ATOM 0 H TRP A 84 12.701 -5.583 -5.999 1.00 0.00 H new ATOM 0 HA TRP A 84 13.543 -4.304 -8.517 1.00 0.00 H new ATOM 0 HB2 TRP A 84 15.138 -4.270 -6.709 1.00 0.00 H new ATOM 0 HB3 TRP A 84 14.904 -5.977 -6.390 1.00 0.00 H new ATOM 0 HD1 TRP A 84 16.794 -7.433 -7.399 1.00 0.00 H new ATOM 0 HE1 TRP A 84 18.235 -7.418 -9.540 1.00 0.00 H new ATOM 0 HE3 TRP A 84 15.335 -2.933 -9.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 18.461 -5.776 -11.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 16.209 -2.134 -11.464 1.00 0.00 H new ATOM 0 HH2 TRP A 84 17.640 -3.611 -12.859 1.00 0.00 H new ATOM 1324 N ILE A 85 13.049 -6.435 -9.860 1.00 0.00 N ATOM 1325 CA ILE A 85 12.831 -7.607 -10.689 1.00 0.00 C ATOM 1326 C ILE A 85 13.531 -7.242 -11.989 1.00 0.00 C ATOM 1327 O ILE A 85 12.986 -6.457 -12.766 1.00 0.00 O ATOM 1328 CB ILE A 85 11.334 -7.955 -10.873 1.00 0.00 C ATOM 1329 CG1 ILE A 85 10.614 -8.011 -9.509 1.00 0.00 C ATOM 1330 CG2 ILE A 85 11.235 -9.302 -11.608 1.00 0.00 C ATOM 1331 CD1 ILE A 85 9.167 -8.465 -9.557 1.00 0.00 C ATOM 0 H ILE A 85 13.051 -5.564 -10.390 1.00 0.00 H new ATOM 0 HA ILE A 85 13.227 -8.519 -10.242 1.00 0.00 H new ATOM 0 HB ILE A 85 10.843 -7.181 -11.463 1.00 0.00 H new ATOM 0 HG12 ILE A 85 11.167 -8.683 -8.852 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.652 -7.020 -9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.186 -9.564 -11.747 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.721 -9.223 -12.580 1.00 0.00 H new ATOM 0 HG23 ILE A 85 11.727 -10.075 -11.018 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.753 -8.470 -8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.592 -7.782 -10.182 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.115 -9.470 -9.975 1.00 0.00 H new ATOM 1343 N GLY A 86 14.765 -7.712 -12.177 1.00 0.00 N ATOM 1344 CA GLY A 86 15.524 -7.395 -13.376 1.00 0.00 C ATOM 1345 C GLY A 86 14.794 -7.885 -14.628 1.00 0.00 C ATOM 1346 O GLY A 86 13.928 -8.761 -14.571 1.00 0.00 O ATOM 0 H GLY A 86 15.255 -8.312 -11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.680 -6.318 -13.439 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.510 -7.857 -13.320 1.00 0.00 H new ATOM 1350 N GLU A 87 15.175 -7.373 -15.792 1.00 0.00 N ATOM 1351 CA GLU A 87 14.569 -7.767 -17.058 1.00 0.00 C ATOM 1352 C GLU A 87 15.079 -9.156 -17.508 1.00 0.00 C ATOM 1353 O GLU A 87 14.553 -9.740 -18.458 1.00 0.00 O ATOM 1354 CB GLU A 87 14.855 -6.674 -18.099 1.00 0.00 C ATOM 1355 CG GLU A 87 13.854 -6.729 -19.261 1.00 0.00 C ATOM 1356 CD GLU A 87 14.522 -6.586 -20.622 1.00 0.00 C ATOM 1357 OE1 GLU A 87 14.873 -5.453 -21.008 1.00 0.00 O ATOM 1358 OE2 GLU A 87 14.664 -7.613 -21.329 1.00 0.00 O ATOM 0 H GLU A 87 15.912 -6.674 -15.885 1.00 0.00 H new ATOM 0 HA GLU A 87 13.490 -7.864 -16.942 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.808 -5.695 -17.623 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.868 -6.793 -18.484 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.313 -7.675 -19.224 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.117 -5.935 -19.138 1.00 0.00 H new ATOM 1365 N ASN A 88 16.059 -9.727 -16.792 1.00 0.00 N ATOM 1366 CA ASN A 88 16.683 -10.997 -17.158 1.00 0.00 C ATOM 1367 C ASN A 88 15.826 -12.154 -16.649 1.00 0.00 C ATOM 1368 O ASN A 88 15.710 -13.169 -17.337 1.00 0.00 O ATOM 1369 CB ASN A 88 18.067 -11.145 -16.493 1.00 0.00 C ATOM 1370 CG ASN A 88 19.159 -10.287 -17.117 1.00 0.00 C ATOM 1371 OD1 ASN A 88 19.438 -10.386 -18.303 1.00 0.00 O ATOM 1372 ND2 ASN A 88 19.834 -9.455 -16.342 1.00 0.00 N ATOM 0 H ASN A 88 16.439 -9.315 -15.940 1.00 0.00 H new ATOM 0 HA ASN A 88 16.780 -11.013 -18.244 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.979 -10.888 -15.437 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.371 -12.191 -16.542 1.00 0.00 H new ATOM 0 HD21 ASN A 88 20.590 -8.893 -16.733 1.00 0.00 H new ATOM 0 HD22 ASN A 88 19.599 -9.375 -15.353 1.00 0.00 H new ATOM 1379 N VAL A 89 15.199 -12.016 -15.478 1.00 0.00 N ATOM 1380 CA VAL A 89 14.309 -13.028 -14.943 1.00 0.00 C ATOM 1381 C VAL A 89 13.017 -13.041 -15.767 1.00 0.00 C ATOM 1382 O VAL A 89 12.382 -12.005 -15.980 1.00 0.00 O ATOM 1383 CB VAL A 89 14.128 -12.809 -13.430 1.00 0.00 C ATOM 1384 CG1 VAL A 89 13.756 -11.390 -12.991 1.00 0.00 C ATOM 1385 CG2 VAL A 89 13.117 -13.790 -12.840 1.00 0.00 C ATOM 0 H VAL A 89 15.300 -11.196 -14.880 1.00 0.00 H new ATOM 0 HA VAL A 89 14.727 -14.030 -15.035 1.00 0.00 H new ATOM 0 HB VAL A 89 15.128 -12.990 -13.036 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.656 -11.359 -11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.537 -10.696 -13.303 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.810 -11.103 -13.451 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.014 -13.607 -11.770 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.151 -13.653 -13.326 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.463 -14.811 -13.002 1.00 0.00 H new ATOM 1395 N SER A 90 12.637 -14.224 -16.248 1.00 0.00 N ATOM 1396 CA SER A 90 11.437 -14.439 -17.036 1.00 0.00 C ATOM 1397 C SER A 90 10.183 -14.116 -16.217 1.00 0.00 C ATOM 1398 O SER A 90 10.139 -14.307 -14.995 1.00 0.00 O ATOM 1399 CB SER A 90 11.441 -15.905 -17.489 1.00 0.00 C ATOM 1400 OG SER A 90 10.310 -16.247 -18.264 1.00 0.00 O ATOM 0 H SER A 90 13.173 -15.078 -16.093 1.00 0.00 H new ATOM 0 HA SER A 90 11.425 -13.778 -17.903 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.344 -16.098 -18.069 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.482 -16.550 -16.612 1.00 0.00 H new ATOM 0 HG SER A 90 10.366 -17.190 -18.526 1.00 0.00 H new ATOM 1406 N GLY A 91 9.115 -13.741 -16.927 1.00 0.00 N ATOM 1407 CA GLY A 91 7.793 -13.463 -16.388 1.00 0.00 C ATOM 1408 C GLY A 91 7.263 -14.584 -15.495 1.00 0.00 C ATOM 1409 O GLY A 91 6.539 -14.306 -14.541 1.00 0.00 O ATOM 0 H GLY A 91 9.157 -13.619 -17.939 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.828 -12.536 -15.816 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.097 -13.303 -17.212 1.00 0.00 H new ATOM 1413 N LEU A 92 7.655 -15.838 -15.749 1.00 0.00 N ATOM 1414 CA LEU A 92 7.278 -16.977 -14.919 1.00 0.00 C ATOM 1415 C LEU A 92 7.757 -16.767 -13.486 1.00 0.00 C ATOM 1416 O LEU A 92 6.983 -16.887 -12.542 1.00 0.00 O ATOM 1417 CB LEU A 92 7.863 -18.269 -15.517 1.00 0.00 C ATOM 1418 CG LEU A 92 7.463 -19.587 -14.816 1.00 0.00 C ATOM 1419 CD1 LEU A 92 8.179 -19.860 -13.486 1.00 0.00 C ATOM 1420 CD2 LEU A 92 5.947 -19.702 -14.633 1.00 0.00 C ATOM 0 H LEU A 92 8.246 -16.087 -16.542 1.00 0.00 H new ATOM 0 HA LEU A 92 6.192 -17.067 -14.898 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.560 -18.331 -16.562 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.950 -18.191 -15.505 1.00 0.00 H new ATOM 0 HG LEU A 92 7.805 -20.361 -15.503 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.831 -20.807 -13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.254 -19.912 -13.656 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.961 -19.056 -12.784 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.711 -20.643 -14.137 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.590 -18.871 -14.025 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.460 -19.674 -15.608 1.00 0.00 H new ATOM 1432 N GLN A 93 9.035 -16.452 -13.302 1.00 0.00 N ATOM 1433 CA GLN A 93 9.567 -16.168 -11.979 1.00 0.00 C ATOM 1434 C GLN A 93 9.023 -14.838 -11.472 1.00 0.00 C ATOM 1435 O GLN A 93 8.781 -14.722 -10.272 1.00 0.00 O ATOM 1436 CB GLN A 93 11.086 -16.299 -12.021 1.00 0.00 C ATOM 1437 CG GLN A 93 11.498 -17.785 -11.964 1.00 0.00 C ATOM 1438 CD GLN A 93 12.571 -18.123 -12.993 1.00 0.00 C ATOM 1439 OE1 GLN A 93 13.591 -17.453 -13.096 1.00 0.00 O ATOM 1440 NE2 GLN A 93 12.377 -19.142 -13.814 1.00 0.00 N ATOM 0 H GLN A 93 9.720 -16.388 -14.055 1.00 0.00 H new ATOM 0 HA GLN A 93 9.232 -16.893 -11.238 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.472 -15.842 -12.932 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.527 -15.760 -11.183 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.867 -18.020 -10.966 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.622 -18.410 -12.136 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.531 -19.706 -13.736 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.074 -19.364 -14.525 1.00 0.00 H new ATOM 1449 N ARG A 94 8.742 -13.860 -12.342 1.00 0.00 N ATOM 1450 CA ARG A 94 8.118 -12.622 -11.875 1.00 0.00 C ATOM 1451 C ARG A 94 6.729 -12.938 -11.308 1.00 0.00 C ATOM 1452 O ARG A 94 6.308 -12.262 -10.371 1.00 0.00 O ATOM 1453 CB ARG A 94 8.037 -11.582 -13.002 1.00 0.00 C ATOM 1454 CG ARG A 94 7.461 -10.254 -12.490 1.00 0.00 C ATOM 1455 CD ARG A 94 7.586 -9.143 -13.533 1.00 0.00 C ATOM 1456 NE ARG A 94 8.079 -7.876 -12.968 1.00 0.00 N ATOM 1457 CZ ARG A 94 8.389 -6.802 -13.703 1.00 0.00 C ATOM 1458 NH1 ARG A 94 8.201 -6.846 -15.019 1.00 0.00 N ATOM 1459 NH2 ARG A 94 8.868 -5.694 -13.139 1.00 0.00 N ATOM 0 H ARG A 94 8.931 -13.900 -13.344 1.00 0.00 H new ATOM 0 HA ARG A 94 8.733 -12.189 -11.086 1.00 0.00 H new ATOM 0 HB2 ARG A 94 9.030 -11.414 -13.418 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.413 -11.965 -13.810 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.412 -10.390 -12.227 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.982 -9.958 -11.579 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.262 -9.469 -14.324 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.613 -8.974 -13.994 1.00 0.00 H new ATOM 0 HE ARG A 94 8.191 -7.813 -11.956 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.826 -7.690 -15.453 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.432 -6.036 -15.595 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.005 -5.654 -12.129 1.00 0.00 H new ATOM 0 HH22 ARG A 94 9.098 -4.886 -13.717 1.00 0.00 H new ATOM 1473 N ALA A 95 6.048 -13.986 -11.790 1.00 0.00 N ATOM 1474 CA ALA A 95 4.727 -14.399 -11.327 1.00 0.00 C ATOM 1475 C ALA A 95 4.721 -14.725 -9.836 1.00 0.00 C ATOM 1476 O ALA A 95 3.655 -14.697 -9.217 1.00 0.00 O ATOM 1477 CB ALA A 95 4.207 -15.592 -12.131 1.00 0.00 C ATOM 0 H ALA A 95 6.415 -14.582 -12.532 1.00 0.00 H new ATOM 0 HA ALA A 95 4.059 -13.553 -11.487 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.221 -15.877 -11.763 1.00 0.00 H new ATOM 0 HB2 ALA A 95 4.136 -15.318 -13.184 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.892 -16.432 -12.020 1.00 0.00 H new ATOM 1483 N LYS A 96 5.870 -15.085 -9.250 1.00 0.00 N ATOM 1484 CA LYS A 96 5.974 -15.312 -7.814 1.00 0.00 C ATOM 1485 C LYS A 96 5.545 -14.068 -7.045 1.00 0.00 C ATOM 1486 O LYS A 96 4.819 -14.200 -6.065 1.00 0.00 O ATOM 1487 CB LYS A 96 7.370 -15.831 -7.426 1.00 0.00 C ATOM 1488 CG LYS A 96 7.569 -17.338 -7.636 1.00 0.00 C ATOM 1489 CD LYS A 96 7.889 -17.773 -9.063 1.00 0.00 C ATOM 1490 CE LYS A 96 7.781 -19.291 -9.239 1.00 0.00 C ATOM 1491 NZ LYS A 96 8.875 -20.041 -8.586 1.00 0.00 N ATOM 0 H LYS A 96 6.743 -15.225 -9.758 1.00 0.00 H new ATOM 0 HA LYS A 96 5.282 -16.104 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.118 -15.294 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.553 -15.596 -6.378 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.376 -17.673 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.664 -17.853 -7.313 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.206 -17.279 -9.754 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.897 -17.449 -9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.827 -19.629 -8.833 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.775 -19.526 -10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.740 -21.060 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.787 -19.746 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.868 -19.846 -7.565 1.00 0.00 H new ATOM 1505 N THR A 97 5.829 -12.868 -7.553 1.00 0.00 N ATOM 1506 CA THR A 97 5.396 -11.601 -6.967 1.00 0.00 C ATOM 1507 C THR A 97 3.865 -11.595 -6.787 1.00 0.00 C ATOM 1508 O THR A 97 3.350 -11.083 -5.788 1.00 0.00 O ATOM 1509 CB THR A 97 5.869 -10.442 -7.868 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.163 -10.708 -8.362 1.00 0.00 O ATOM 1511 CG2 THR A 97 5.911 -9.112 -7.124 1.00 0.00 C ATOM 0 H THR A 97 6.379 -12.748 -8.403 1.00 0.00 H new ATOM 0 HA THR A 97 5.840 -11.474 -5.980 1.00 0.00 H new ATOM 0 HB THR A 97 5.149 -10.366 -8.683 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.096 -11.129 -9.244 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.250 -8.327 -7.800 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.914 -8.869 -6.757 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.599 -9.188 -6.282 1.00 0.00 H new ATOM 1519 N GLY A 98 3.138 -12.256 -7.697 1.00 0.00 N ATOM 1520 CA GLY A 98 1.693 -12.404 -7.678 1.00 0.00 C ATOM 1521 C GLY A 98 1.159 -13.237 -6.520 1.00 0.00 C ATOM 1522 O GLY A 98 -0.049 -13.221 -6.290 1.00 0.00 O ATOM 0 H GLY A 98 3.568 -12.719 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.239 -11.414 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 98 1.375 -12.861 -8.615 1.00 0.00 H new ATOM 1526 N THR A 99 2.000 -13.985 -5.809 1.00 0.00 N ATOM 1527 CA THR A 99 1.634 -14.756 -4.617 1.00 0.00 C ATOM 1528 C THR A 99 2.513 -14.327 -3.424 1.00 0.00 C ATOM 1529 O THR A 99 2.272 -14.746 -2.294 1.00 0.00 O ATOM 1530 CB THR A 99 1.724 -16.261 -4.945 1.00 0.00 C ATOM 1531 OG1 THR A 99 0.963 -16.535 -6.109 1.00 0.00 O ATOM 1532 CG2 THR A 99 1.176 -17.179 -3.848 1.00 0.00 C ATOM 0 H THR A 99 2.986 -14.076 -6.052 1.00 0.00 H new ATOM 0 HA THR A 99 0.604 -14.555 -4.321 1.00 0.00 H new ATOM 0 HB THR A 99 2.788 -16.465 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.020 -17.490 -6.320 1.00 0.00 H new ATOM 0 HG21 THR A 99 1.278 -18.219 -4.159 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.736 -17.020 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.124 -16.953 -3.676 1.00 0.00 H new ATOM 1540 N ASP A 100 3.481 -13.431 -3.643 1.00 0.00 N ATOM 1541 CA ASP A 100 4.441 -13.011 -2.635 1.00 0.00 C ATOM 1542 C ASP A 100 4.133 -11.644 -2.071 1.00 0.00 C ATOM 1543 O ASP A 100 4.321 -11.452 -0.874 1.00 0.00 O ATOM 1544 CB ASP A 100 5.848 -12.936 -3.227 1.00 0.00 C ATOM 1545 CG ASP A 100 6.474 -14.298 -3.512 1.00 0.00 C ATOM 1546 OD1 ASP A 100 6.003 -15.322 -2.961 1.00 0.00 O ATOM 1547 OD2 ASP A 100 7.453 -14.375 -4.280 1.00 0.00 O ATOM 0 H ASP A 100 3.616 -12.973 -4.544 1.00 0.00 H new ATOM 0 HA ASP A 100 4.378 -13.757 -1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.811 -12.363 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.492 -12.388 -2.539 1.00 0.00 H new ATOM 1552 N LYS A 101 3.666 -10.675 -2.868 1.00 0.00 N ATOM 1553 CA LYS A 101 3.438 -9.341 -2.313 1.00 0.00 C ATOM 1554 C LYS A 101 2.483 -9.387 -1.144 1.00 0.00 C ATOM 1555 O LYS A 101 2.748 -8.696 -0.177 1.00 0.00 O ATOM 1556 CB LYS A 101 3.023 -8.289 -3.348 1.00 0.00 C ATOM 1557 CG LYS A 101 4.300 -7.817 -4.040 1.00 0.00 C ATOM 1558 CD LYS A 101 4.197 -6.625 -4.985 1.00 0.00 C ATOM 1559 CE LYS A 101 2.975 -6.574 -5.905 1.00 0.00 C ATOM 1560 NZ LYS A 101 1.897 -5.738 -5.335 1.00 0.00 N ATOM 0 H LYS A 101 3.447 -10.783 -3.858 1.00 0.00 H new ATOM 0 HA LYS A 101 4.410 -9.008 -1.948 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.326 -8.713 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.514 -7.454 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.028 -7.570 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.706 -8.657 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 101 4.208 -5.715 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.091 -6.608 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.268 -6.178 -6.877 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.602 -7.585 -6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.125 -6.349 -4.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.272 -5.184 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.535 -5.092 -6.066 1.00 0.00 H new ATOM 1574 N THR A 102 1.455 -10.229 -1.152 1.00 0.00 N ATOM 1575 CA THR A 102 0.560 -10.335 -0.011 1.00 0.00 C ATOM 1576 C THR A 102 1.314 -10.687 1.284 1.00 0.00 C ATOM 1577 O THR A 102 0.894 -10.234 2.340 1.00 0.00 O ATOM 1578 CB THR A 102 -0.550 -11.345 -0.332 1.00 0.00 C ATOM 1579 OG1 THR A 102 -1.676 -11.146 0.510 1.00 0.00 O ATOM 1580 CG2 THR A 102 -0.066 -12.788 -0.217 1.00 0.00 C ATOM 0 H THR A 102 1.224 -10.844 -1.932 1.00 0.00 H new ATOM 0 HA THR A 102 0.103 -9.362 0.171 1.00 0.00 H new ATOM 0 HB THR A 102 -0.842 -11.171 -1.368 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.371 -11.800 0.287 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.886 -13.467 -0.453 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.755 -12.953 -0.915 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.279 -12.976 0.800 1.00 0.00 H new ATOM 1588 N LEU A 103 2.385 -11.486 1.222 1.00 0.00 N ATOM 1589 CA LEU A 103 3.157 -11.974 2.363 1.00 0.00 C ATOM 1590 C LEU A 103 3.845 -10.809 3.029 1.00 0.00 C ATOM 1591 O LEU A 103 3.543 -10.480 4.169 1.00 0.00 O ATOM 1592 CB LEU A 103 4.196 -12.987 1.895 1.00 0.00 C ATOM 1593 CG LEU A 103 3.600 -14.274 1.328 1.00 0.00 C ATOM 1594 CD1 LEU A 103 4.774 -15.210 1.106 1.00 0.00 C ATOM 1595 CD2 LEU A 103 2.565 -14.957 2.234 1.00 0.00 C ATOM 0 H LEU A 103 2.752 -11.824 0.332 1.00 0.00 H new ATOM 0 HA LEU A 103 2.487 -12.460 3.073 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.823 -12.523 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.846 -13.239 2.733 1.00 0.00 H new ATOM 0 HG LEU A 103 3.053 -14.030 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.414 -16.155 0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.474 -14.756 0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.278 -15.392 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.198 -15.861 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.030 -15.218 3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.732 -14.277 2.412 1.00 0.00 H new ATOM 1607 N VAL A 104 4.771 -10.182 2.316 1.00 0.00 N ATOM 1608 CA VAL A 104 5.446 -8.991 2.794 1.00 0.00 C ATOM 1609 C VAL A 104 4.389 -7.920 3.097 1.00 0.00 C ATOM 1610 O VAL A 104 4.544 -7.230 4.097 1.00 0.00 O ATOM 1611 CB VAL A 104 6.582 -8.606 1.812 1.00 0.00 C ATOM 1612 CG1 VAL A 104 6.236 -8.771 0.320 1.00 0.00 C ATOM 1613 CG2 VAL A 104 7.129 -7.195 2.054 1.00 0.00 C ATOM 0 H VAL A 104 5.073 -10.487 1.391 1.00 0.00 H new ATOM 0 HA VAL A 104 5.966 -9.145 3.739 1.00 0.00 H new ATOM 0 HB VAL A 104 7.358 -9.336 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.092 -8.477 -0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.988 -9.813 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.382 -8.140 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 104 7.921 -6.984 1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.326 -6.468 1.933 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.529 -7.128 3.066 1.00 0.00 H new ATOM 1623 N LYS A 105 3.259 -7.835 2.375 1.00 0.00 N ATOM 1624 CA LYS A 105 2.222 -6.842 2.679 1.00 0.00 C ATOM 1625 C LYS A 105 1.550 -7.134 4.015 1.00 0.00 C ATOM 1626 O LYS A 105 1.040 -6.203 4.619 1.00 0.00 O ATOM 1627 CB LYS A 105 1.222 -6.729 1.522 1.00 0.00 C ATOM 1628 CG LYS A 105 0.357 -5.461 1.529 1.00 0.00 C ATOM 1629 CD LYS A 105 -0.427 -5.385 0.208 1.00 0.00 C ATOM 1630 CE LYS A 105 -0.988 -3.982 -0.027 1.00 0.00 C ATOM 1631 NZ LYS A 105 -1.666 -3.878 -1.337 1.00 0.00 N ATOM 0 H LYS A 105 3.044 -8.439 1.582 1.00 0.00 H new ATOM 0 HA LYS A 105 2.697 -5.866 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 105 1.772 -6.769 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.565 -7.598 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.330 -5.478 2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 105 0.984 -4.577 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.225 -5.661 -0.620 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.243 -6.107 0.225 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -1.691 -3.733 0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -0.179 -3.253 0.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.034 -2.913 -1.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.988 -4.091 -2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -2.453 -4.556 -1.375 1.00 0.00 H new ATOM 1645 N GLU A 106 1.551 -8.378 4.504 1.00 0.00 N ATOM 1646 CA GLU A 106 1.012 -8.724 5.817 1.00 0.00 C ATOM 1647 C GLU A 106 1.876 -8.111 6.925 1.00 0.00 C ATOM 1648 O GLU A 106 1.382 -7.869 8.026 1.00 0.00 O ATOM 1649 CB GLU A 106 0.914 -10.249 6.008 1.00 0.00 C ATOM 1650 CG GLU A 106 -0.122 -10.913 5.093 1.00 0.00 C ATOM 1651 CD GLU A 106 -1.144 -11.702 5.898 1.00 0.00 C ATOM 1652 OE1 GLU A 106 -0.777 -12.783 6.419 1.00 0.00 O ATOM 1653 OE2 GLU A 106 -2.285 -11.204 6.042 1.00 0.00 O ATOM 0 H GLU A 106 1.929 -9.176 3.994 1.00 0.00 H new ATOM 0 HA GLU A 106 0.004 -8.314 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.891 -10.694 5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.660 -10.462 7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.631 -10.151 4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 106 0.382 -11.577 4.391 1.00 0.00 H new ATOM 1660 N VAL A 107 3.165 -7.883 6.668 1.00 0.00 N ATOM 1661 CA VAL A 107 4.082 -7.221 7.589 1.00 0.00 C ATOM 1662 C VAL A 107 3.924 -5.715 7.345 1.00 0.00 C ATOM 1663 O VAL A 107 3.553 -4.952 8.235 1.00 0.00 O ATOM 1664 CB VAL A 107 5.524 -7.742 7.352 1.00 0.00 C ATOM 1665 CG1 VAL A 107 6.529 -7.046 8.286 1.00 0.00 C ATOM 1666 CG2 VAL A 107 5.607 -9.253 7.610 1.00 0.00 C ATOM 0 H VAL A 107 3.608 -8.161 5.792 1.00 0.00 H new ATOM 0 HA VAL A 107 3.863 -7.434 8.635 1.00 0.00 H new ATOM 0 HB VAL A 107 5.773 -7.523 6.314 1.00 0.00 H new ATOM 0 HG11 VAL A 107 7.530 -7.432 8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 107 6.514 -5.972 8.102 1.00 0.00 H new ATOM 0 HG13 VAL A 107 6.256 -7.240 9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.627 -9.596 7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.323 -9.462 8.641 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.930 -9.775 6.934 1.00 0.00 H new ATOM 1676 N VAL A 108 4.136 -5.310 6.097 1.00 0.00 N ATOM 1677 CA VAL A 108 4.146 -3.969 5.535 1.00 0.00 C ATOM 1678 C VAL A 108 2.735 -3.341 5.493 1.00 0.00 C ATOM 1679 O VAL A 108 2.555 -2.330 4.829 1.00 0.00 O ATOM 1680 CB VAL A 108 4.892 -4.086 4.169 1.00 0.00 C ATOM 1681 CG1 VAL A 108 5.013 -2.847 3.281 1.00 0.00 C ATOM 1682 CG2 VAL A 108 6.347 -4.522 4.421 1.00 0.00 C ATOM 0 H VAL A 108 4.328 -6.000 5.371 1.00 0.00 H new ATOM 0 HA VAL A 108 4.681 -3.254 6.160 1.00 0.00 H new ATOM 0 HB VAL A 108 4.254 -4.789 3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 108 5.558 -3.102 2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.018 -2.489 3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.550 -2.065 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.872 -4.605 3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 108 6.845 -3.782 5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.355 -5.488 4.925 1.00 0.00 H new ATOM 1692 N GLN A 109 1.726 -3.834 6.231 1.00 0.00 N ATOM 1693 CA GLN A 109 0.399 -3.194 6.253 1.00 0.00 C ATOM 1694 C GLN A 109 0.501 -1.729 6.704 1.00 0.00 C ATOM 1695 O GLN A 109 -0.290 -0.874 6.293 1.00 0.00 O ATOM 1696 CB GLN A 109 -0.531 -3.907 7.255 1.00 0.00 C ATOM 1697 CG GLN A 109 -0.890 -5.365 6.949 1.00 0.00 C ATOM 1698 CD GLN A 109 -1.886 -5.549 5.802 1.00 0.00 C ATOM 1699 OE1 GLN A 109 -2.121 -4.671 4.970 1.00 0.00 O ATOM 1700 NE2 GLN A 109 -2.573 -6.682 5.767 1.00 0.00 N ATOM 0 H GLN A 109 1.802 -4.666 6.816 1.00 0.00 H new ATOM 0 HA GLN A 109 0.002 -3.256 5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.061 -3.872 8.238 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.457 -3.337 7.324 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.024 -5.908 6.709 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -1.304 -5.820 7.849 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.385 -7.414 6.452 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.290 -6.822 5.055 1.00 0.00 H new ATOM 1709 N ASN A 110 1.530 -1.416 7.492 1.00 0.00 N ATOM 1710 CA ASN A 110 1.845 -0.084 7.966 1.00 0.00 C ATOM 1711 C ASN A 110 2.874 0.515 7.006 1.00 0.00 C ATOM 1712 O ASN A 110 4.062 0.597 7.312 1.00 0.00 O ATOM 1713 CB ASN A 110 2.321 -0.191 9.419 1.00 0.00 C ATOM 1714 CG ASN A 110 2.342 1.161 10.117 1.00 0.00 C ATOM 1715 OD1 ASN A 110 2.961 2.116 9.666 1.00 0.00 O ATOM 1716 ND2 ASN A 110 1.668 1.263 11.247 1.00 0.00 N ATOM 0 H ASN A 110 2.189 -2.119 7.827 1.00 0.00 H new ATOM 0 HA ASN A 110 0.986 0.587 7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 110 1.666 -0.870 9.965 1.00 0.00 H new ATOM 0 HB3 ASN A 110 3.321 -0.625 9.441 1.00 0.00 H new ATOM 0 HD21 ASN A 110 1.658 2.146 11.757 1.00 0.00 H new ATOM 0 HD22 ASN A 110 1.157 0.459 11.610 1.00 0.00 H new ATOM 1723 N PHE A 111 2.427 0.870 5.798 1.00 0.00 N ATOM 1724 CA PHE A 111 3.259 1.514 4.789 1.00 0.00 C ATOM 1725 C PHE A 111 2.442 2.534 4.006 1.00 0.00 C ATOM 1726 O PHE A 111 1.238 2.681 4.238 1.00 0.00 O ATOM 1727 CB PHE A 111 3.915 0.504 3.834 1.00 0.00 C ATOM 1728 CG PHE A 111 3.087 -0.039 2.670 1.00 0.00 C ATOM 1729 CD1 PHE A 111 1.735 -0.419 2.808 1.00 0.00 C ATOM 1730 CD2 PHE A 111 3.710 -0.196 1.416 1.00 0.00 C ATOM 1731 CE1 PHE A 111 1.028 -0.963 1.721 1.00 0.00 C ATOM 1732 CE2 PHE A 111 3.002 -0.739 0.330 1.00 0.00 C ATOM 1733 CZ PHE A 111 1.659 -1.118 0.477 1.00 0.00 C ATOM 0 H PHE A 111 1.466 0.715 5.494 1.00 0.00 H new ATOM 0 HA PHE A 111 4.066 2.024 5.315 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.807 0.972 3.417 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.250 -0.346 4.429 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.238 -0.291 3.758 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.740 0.103 1.288 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.002 -1.262 1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 111 3.494 -0.865 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 111 1.114 -1.526 -0.362 1.00 0.00 H new ATOM 1743 N ALA A 112 3.108 3.253 3.100 1.00 0.00 N ATOM 1744 CA ALA A 112 2.484 4.225 2.227 1.00 0.00 C ATOM 1745 C ALA A 112 2.099 3.606 0.880 1.00 0.00 C ATOM 1746 O ALA A 112 0.909 3.535 0.590 1.00 0.00 O ATOM 1747 CB ALA A 112 3.427 5.422 2.062 1.00 0.00 C ATOM 0 H ALA A 112 4.114 3.168 2.957 1.00 0.00 H new ATOM 0 HA ALA A 112 1.553 4.570 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.966 6.160 1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.618 5.872 3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 112 4.368 5.086 1.626 1.00 0.00 H new ATOM 1753 N LYS A 113 3.073 3.191 0.063 1.00 0.00 N ATOM 1754 CA LYS A 113 2.928 2.654 -1.298 1.00 0.00 C ATOM 1755 C LYS A 113 4.097 1.765 -1.680 1.00 0.00 C ATOM 1756 O LYS A 113 5.046 1.610 -0.912 1.00 0.00 O ATOM 1757 CB LYS A 113 2.817 3.791 -2.338 1.00 0.00 C ATOM 1758 CG LYS A 113 1.416 4.390 -2.477 1.00 0.00 C ATOM 1759 CD LYS A 113 1.381 5.916 -2.351 1.00 0.00 C ATOM 1760 CE LYS A 113 0.109 6.427 -3.026 1.00 0.00 C ATOM 1761 NZ LYS A 113 0.222 6.433 -4.498 1.00 0.00 N ATOM 0 H LYS A 113 4.050 3.223 0.353 1.00 0.00 H new ATOM 0 HA LYS A 113 2.013 2.062 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.512 4.585 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.133 3.410 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 113 1.004 4.105 -3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.768 3.957 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 113 1.398 6.210 -1.302 1.00 0.00 H new ATOM 0 HD3 LYS A 113 2.262 6.355 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.733 5.801 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -0.106 7.437 -2.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 0.335 7.411 -4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 1.049 5.871 -4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.638 6.021 -4.914 1.00 0.00 H new ATOM 1775 N GLU A 114 4.011 1.174 -2.867 1.00 0.00 N ATOM 1776 CA GLU A 114 5.068 0.366 -3.450 1.00 0.00 C ATOM 1777 C GLU A 114 5.489 0.908 -4.816 1.00 0.00 C ATOM 1778 O GLU A 114 4.734 1.662 -5.440 1.00 0.00 O ATOM 1779 CB GLU A 114 4.672 -1.113 -3.500 1.00 0.00 C ATOM 1780 CG GLU A 114 3.426 -1.382 -4.349 1.00 0.00 C ATOM 1781 CD GLU A 114 3.271 -2.871 -4.639 1.00 0.00 C ATOM 1782 OE1 GLU A 114 2.691 -3.606 -3.810 1.00 0.00 O ATOM 1783 OE2 GLU A 114 3.723 -3.333 -5.713 1.00 0.00 O ATOM 0 H GLU A 114 3.185 1.247 -3.461 1.00 0.00 H new ATOM 0 HA GLU A 114 5.943 0.433 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.506 -1.691 -3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.494 -1.468 -2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.541 -1.016 -3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.495 -0.831 -5.287 1.00 0.00 H new ATOM 1790 N PHE A 115 6.652 0.480 -5.315 1.00 0.00 N ATOM 1791 CA PHE A 115 7.240 0.966 -6.559 1.00 0.00 C ATOM 1792 C PHE A 115 7.803 -0.282 -7.265 1.00 0.00 C ATOM 1793 O PHE A 115 8.252 -1.221 -6.594 1.00 0.00 O ATOM 1794 CB PHE A 115 8.357 1.951 -6.168 1.00 0.00 C ATOM 1795 CG PHE A 115 8.784 2.978 -7.201 1.00 0.00 C ATOM 1796 CD1 PHE A 115 9.333 2.634 -8.448 1.00 0.00 C ATOM 1797 CD2 PHE A 115 8.629 4.338 -6.869 1.00 0.00 C ATOM 1798 CE1 PHE A 115 9.779 3.636 -9.329 1.00 0.00 C ATOM 1799 CE2 PHE A 115 9.052 5.339 -7.752 1.00 0.00 C ATOM 1800 CZ PHE A 115 9.644 4.988 -8.972 1.00 0.00 C ATOM 0 H PHE A 115 7.221 -0.229 -4.853 1.00 0.00 H new ATOM 0 HA PHE A 115 6.540 1.478 -7.219 1.00 0.00 H new ATOM 0 HB2 PHE A 115 8.035 2.487 -5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 115 9.236 1.369 -5.890 1.00 0.00 H new ATOM 0 HD1 PHE A 115 9.413 1.595 -8.732 1.00 0.00 H new ATOM 0 HD2 PHE A 115 8.180 4.611 -5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 115 10.223 3.367 -10.276 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.922 6.379 -7.493 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.998 5.759 -9.640 1.00 0.00 H new ATOM 1810 N VAL A 116 7.802 -0.314 -8.597 1.00 0.00 N ATOM 1811 CA VAL A 116 8.269 -1.450 -9.389 1.00 0.00 C ATOM 1812 C VAL A 116 9.449 -0.957 -10.226 1.00 0.00 C ATOM 1813 O VAL A 116 9.300 -0.021 -11.018 1.00 0.00 O ATOM 1814 CB VAL A 116 7.107 -1.962 -10.272 1.00 0.00 C ATOM 1815 CG1 VAL A 116 7.472 -3.259 -10.998 1.00 0.00 C ATOM 1816 CG2 VAL A 116 5.837 -2.253 -9.463 1.00 0.00 C ATOM 0 H VAL A 116 7.470 0.464 -9.166 1.00 0.00 H new ATOM 0 HA VAL A 116 8.593 -2.283 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 116 6.923 -1.157 -10.983 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.629 -3.585 -11.607 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.337 -3.086 -11.638 1.00 0.00 H new ATOM 0 HG13 VAL A 116 7.710 -4.031 -10.266 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.053 -2.609 -10.132 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.050 -3.016 -8.714 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.504 -1.341 -8.968 1.00 0.00 H new ATOM 1826 N ILE A 117 10.609 -1.601 -10.097 1.00 0.00 N ATOM 1827 CA ILE A 117 11.840 -1.197 -10.765 1.00 0.00 C ATOM 1828 C ILE A 117 12.466 -2.435 -11.407 1.00 0.00 C ATOM 1829 O ILE A 117 12.403 -3.539 -10.856 1.00 0.00 O ATOM 1830 CB ILE A 117 12.762 -0.498 -9.744 1.00 0.00 C ATOM 1831 CG1 ILE A 117 12.204 0.870 -9.295 1.00 0.00 C ATOM 1832 CG2 ILE A 117 14.153 -0.238 -10.317 1.00 0.00 C ATOM 1833 CD1 ILE A 117 12.016 0.949 -7.783 1.00 0.00 C ATOM 0 H ILE A 117 10.718 -2.432 -9.515 1.00 0.00 H new ATOM 0 HA ILE A 117 11.655 -0.476 -11.561 1.00 0.00 H new ATOM 0 HB ILE A 117 12.816 -1.182 -8.897 1.00 0.00 H new ATOM 0 HG12 ILE A 117 12.882 1.660 -9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 117 11.249 1.050 -9.788 1.00 0.00 H new ATOM 0 HG21 ILE A 117 14.770 0.255 -9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 117 14.613 -1.185 -10.599 1.00 0.00 H new ATOM 0 HG23 ILE A 117 14.071 0.402 -11.196 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.622 1.930 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 117 11.316 0.177 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 117 12.975 0.797 -7.289 1.00 0.00 H new ATOM 1845 N SER A 118 13.060 -2.244 -12.582 1.00 0.00 N ATOM 1846 CA SER A 118 13.660 -3.300 -13.386 1.00 0.00 C ATOM 1847 C SER A 118 14.934 -2.845 -14.102 1.00 0.00 C ATOM 1848 O SER A 118 15.572 -3.640 -14.789 1.00 0.00 O ATOM 1849 CB SER A 118 12.612 -3.792 -14.392 1.00 0.00 C ATOM 1850 OG SER A 118 11.923 -2.713 -15.024 1.00 0.00 O ATOM 0 H SER A 118 13.138 -1.322 -13.012 1.00 0.00 H new ATOM 0 HA SER A 118 13.964 -4.111 -12.725 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.099 -4.404 -15.151 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.892 -4.431 -13.881 1.00 0.00 H new ATOM 0 HG SER A 118 11.266 -3.071 -15.658 1.00 0.00 H new ATOM 1856 N ASP A 119 15.335 -1.587 -13.933 1.00 0.00 N ATOM 1857 CA ASP A 119 16.463 -0.954 -14.592 1.00 0.00 C ATOM 1858 C ASP A 119 17.200 -0.082 -13.579 1.00 0.00 C ATOM 1859 O ASP A 119 16.616 0.321 -12.574 1.00 0.00 O ATOM 1860 CB ASP A 119 15.890 -0.116 -15.734 1.00 0.00 C ATOM 1861 CG ASP A 119 16.883 0.930 -16.214 1.00 0.00 C ATOM 1862 OD1 ASP A 119 17.881 0.563 -16.872 1.00 0.00 O ATOM 1863 OD2 ASP A 119 16.698 2.120 -15.890 1.00 0.00 O ATOM 0 H ASP A 119 14.852 -0.952 -13.297 1.00 0.00 H new ATOM 0 HA ASP A 119 17.174 -1.680 -14.985 1.00 0.00 H new ATOM 0 HB2 ASP A 119 15.618 -0.768 -16.564 1.00 0.00 H new ATOM 0 HB3 ASP A 119 14.975 0.375 -15.402 1.00 0.00 H new ATOM 1868 N ARG A 120 18.480 0.208 -13.814 1.00 0.00 N ATOM 1869 CA ARG A 120 19.274 0.969 -12.869 1.00 0.00 C ATOM 1870 C ARG A 120 18.893 2.449 -12.869 1.00 0.00 C ATOM 1871 O ARG A 120 18.807 3.024 -11.791 1.00 0.00 O ATOM 1872 CB ARG A 120 20.762 0.788 -13.183 1.00 0.00 C ATOM 1873 CG ARG A 120 21.582 1.122 -11.933 1.00 0.00 C ATOM 1874 CD ARG A 120 23.000 1.589 -12.248 1.00 0.00 C ATOM 1875 NE ARG A 120 23.121 3.046 -12.098 1.00 0.00 N ATOM 1876 CZ ARG A 120 24.257 3.734 -12.010 1.00 0.00 C ATOM 1877 NH1 ARG A 120 25.436 3.133 -12.184 1.00 0.00 N ATOM 1878 NH2 ARG A 120 24.182 5.029 -11.735 1.00 0.00 N ATOM 0 H ARG A 120 18.983 -0.076 -14.654 1.00 0.00 H new ATOM 0 HA ARG A 120 19.070 0.589 -11.868 1.00 0.00 H new ATOM 0 HB2 ARG A 120 20.958 -0.237 -13.498 1.00 0.00 H new ATOM 0 HB3 ARG A 120 21.054 1.437 -14.009 1.00 0.00 H new ATOM 0 HG2 ARG A 120 21.068 1.899 -11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 120 21.631 0.241 -11.293 1.00 0.00 H new ATOM 0 HD2 ARG A 120 23.706 1.092 -11.583 1.00 0.00 H new ATOM 0 HD3 ARG A 120 23.264 1.302 -13.266 1.00 0.00 H new ATOM 0 HE ARG A 120 22.253 3.580 -12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 120 25.474 2.134 -12.387 1.00 0.00 H new ATOM 0 HH12 ARG A 120 26.299 3.673 -12.114 1.00 0.00 H new ATOM 0 HH21 ARG A 120 23.272 5.469 -11.598 1.00 0.00 H new ATOM 0 HH22 ARG A 120 25.034 5.585 -11.661 1.00 0.00 H new ATOM 1892 N LYS A 121 18.652 3.082 -14.026 1.00 0.00 N ATOM 1893 CA LYS A 121 18.218 4.475 -14.053 1.00 0.00 C ATOM 1894 C LYS A 121 16.864 4.600 -13.351 1.00 0.00 C ATOM 1895 O LYS A 121 16.578 5.614 -12.719 1.00 0.00 O ATOM 1896 CB LYS A 121 18.152 5.078 -15.468 1.00 0.00 C ATOM 1897 CG LYS A 121 19.475 5.129 -16.262 1.00 0.00 C ATOM 1898 CD LYS A 121 19.875 3.853 -17.023 1.00 0.00 C ATOM 1899 CE LYS A 121 18.801 3.420 -18.033 1.00 0.00 C ATOM 1900 NZ LYS A 121 19.233 2.290 -18.884 1.00 0.00 N ATOM 0 H LYS A 121 18.751 2.651 -14.945 1.00 0.00 H new ATOM 0 HA LYS A 121 18.975 5.053 -13.522 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.429 4.505 -16.048 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.764 6.093 -15.387 1.00 0.00 H new ATOM 0 HG2 LYS A 121 19.409 5.947 -16.980 1.00 0.00 H new ATOM 0 HG3 LYS A 121 20.278 5.377 -15.569 1.00 0.00 H new ATOM 0 HD2 LYS A 121 20.816 4.024 -17.546 1.00 0.00 H new ATOM 0 HD3 LYS A 121 20.048 3.046 -16.311 1.00 0.00 H new ATOM 0 HE2 LYS A 121 17.896 3.138 -17.495 1.00 0.00 H new ATOM 0 HE3 LYS A 121 18.543 4.268 -18.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.820 2.392 -19.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 20.270 2.287 -18.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 18.913 1.395 -18.462 1.00 0.00 H new ATOM 1914 N GLU A 122 16.018 3.579 -13.477 1.00 0.00 N ATOM 1915 CA GLU A 122 14.723 3.459 -12.819 1.00 0.00 C ATOM 1916 C GLU A 122 14.895 3.344 -11.288 1.00 0.00 C ATOM 1917 O GLU A 122 13.959 3.613 -10.552 1.00 0.00 O ATOM 1918 CB GLU A 122 13.986 2.261 -13.443 1.00 0.00 C ATOM 1919 CG GLU A 122 12.516 2.071 -13.049 1.00 0.00 C ATOM 1920 CD GLU A 122 11.585 2.930 -13.896 1.00 0.00 C ATOM 1921 OE1 GLU A 122 11.423 4.140 -13.633 1.00 0.00 O ATOM 1922 OE2 GLU A 122 10.981 2.390 -14.852 1.00 0.00 O ATOM 0 H GLU A 122 16.229 2.776 -14.069 1.00 0.00 H new ATOM 0 HA GLU A 122 14.119 4.353 -12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 122 14.037 2.358 -14.527 1.00 0.00 H new ATOM 0 HB3 GLU A 122 14.528 1.353 -13.179 1.00 0.00 H new ATOM 0 HG2 GLU A 122 12.243 1.022 -13.160 1.00 0.00 H new ATOM 0 HG3 GLU A 122 12.387 2.324 -11.997 1.00 0.00 H new ATOM 1929 N LEU A 123 16.055 2.900 -10.788 1.00 0.00 N ATOM 1930 CA LEU A 123 16.319 2.681 -9.363 1.00 0.00 C ATOM 1931 C LEU A 123 16.804 3.934 -8.621 1.00 0.00 C ATOM 1932 O LEU A 123 16.681 3.988 -7.400 1.00 0.00 O ATOM 1933 CB LEU A 123 17.312 1.505 -9.258 1.00 0.00 C ATOM 1934 CG LEU A 123 17.530 0.796 -7.912 1.00 0.00 C ATOM 1935 CD1 LEU A 123 18.668 1.429 -7.122 1.00 0.00 C ATOM 1936 CD2 LEU A 123 16.249 0.583 -7.094 1.00 0.00 C ATOM 0 H LEU A 123 16.856 2.678 -11.380 1.00 0.00 H new ATOM 0 HA LEU A 123 15.384 2.437 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 123 16.993 0.748 -9.974 1.00 0.00 H new ATOM 0 HB3 LEU A 123 18.283 1.871 -9.592 1.00 0.00 H new ATOM 0 HG LEU A 123 17.845 -0.219 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 123 18.792 0.901 -6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 123 19.591 1.364 -7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 123 18.436 2.476 -6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 123 16.494 0.077 -6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 123 15.793 1.548 -6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 123 15.550 -0.027 -7.665 1.00 0.00 H new ATOM 1948 N GLU A 124 17.389 4.912 -9.317 1.00 0.00 N ATOM 1949 CA GLU A 124 17.972 6.124 -8.728 1.00 0.00 C ATOM 1950 C GLU A 124 16.918 6.891 -7.898 1.00 0.00 C ATOM 1951 O GLU A 124 15.888 7.284 -8.443 1.00 0.00 O ATOM 1952 CB GLU A 124 18.491 7.032 -9.863 1.00 0.00 C ATOM 1953 CG GLU A 124 19.439 6.388 -10.903 1.00 0.00 C ATOM 1954 CD GLU A 124 20.777 5.819 -10.404 1.00 0.00 C ATOM 1955 OE1 GLU A 124 21.134 6.015 -9.222 1.00 0.00 O ATOM 1956 OE2 GLU A 124 21.507 5.219 -11.235 1.00 0.00 O ATOM 0 H GLU A 124 17.473 4.884 -10.333 1.00 0.00 H new ATOM 0 HA GLU A 124 18.791 5.838 -8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.629 7.435 -10.395 1.00 0.00 H new ATOM 0 HB3 GLU A 124 19.010 7.877 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 124 18.896 5.581 -11.396 1.00 0.00 H new ATOM 0 HG3 GLU A 124 19.658 7.137 -11.664 1.00 0.00 H new ATOM 1963 N GLU A 125 17.160 7.168 -6.608 1.00 0.00 N ATOM 1964 CA GLU A 125 16.176 7.861 -5.767 1.00 0.00 C ATOM 1965 C GLU A 125 15.801 9.275 -6.203 1.00 0.00 C ATOM 1966 O GLU A 125 14.703 9.703 -5.834 1.00 0.00 O ATOM 1967 CB GLU A 125 16.568 7.915 -4.275 1.00 0.00 C ATOM 1968 CG GLU A 125 16.229 6.646 -3.488 1.00 0.00 C ATOM 1969 CD GLU A 125 14.826 6.693 -2.862 1.00 0.00 C ATOM 1970 OE1 GLU A 125 14.601 7.491 -1.914 1.00 0.00 O ATOM 1971 OE2 GLU A 125 13.952 5.905 -3.285 1.00 0.00 O ATOM 0 H GLU A 125 18.026 6.923 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 125 15.299 7.229 -5.907 1.00 0.00 H new ATOM 0 HB2 GLU A 125 17.640 8.100 -4.199 1.00 0.00 H new ATOM 0 HB3 GLU A 125 16.065 8.762 -3.810 1.00 0.00 H new ATOM 0 HG2 GLU A 125 16.298 5.783 -4.151 1.00 0.00 H new ATOM 0 HG3 GLU A 125 16.969 6.503 -2.701 1.00 0.00 H new ATOM 1978 N ASP A 126 16.626 10.017 -6.956 1.00 0.00 N ATOM 1979 CA ASP A 126 16.235 11.396 -7.244 1.00 0.00 C ATOM 1980 C ASP A 126 14.891 11.512 -7.937 1.00 0.00 C ATOM 1981 O ASP A 126 14.003 12.207 -7.425 1.00 0.00 O ATOM 1982 CB ASP A 126 17.272 12.333 -7.857 1.00 0.00 C ATOM 1983 CG ASP A 126 16.754 13.752 -7.551 1.00 0.00 C ATOM 1984 OD1 ASP A 126 16.754 14.127 -6.351 1.00 0.00 O ATOM 1985 OD2 ASP A 126 16.197 14.399 -8.464 1.00 0.00 O ATOM 0 H ASP A 126 17.513 9.708 -7.353 1.00 0.00 H new ATOM 0 HA ASP A 126 16.142 11.784 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 126 18.258 12.170 -7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 126 17.366 12.170 -8.931 1.00 0.00 H new ATOM 1990 N PHE A 127 14.686 10.787 -9.042 1.00 0.00 N ATOM 1991 CA PHE A 127 13.401 10.956 -9.711 1.00 0.00 C ATOM 1992 C PHE A 127 12.311 10.243 -8.891 1.00 0.00 C ATOM 1993 O PHE A 127 11.152 10.640 -8.986 1.00 0.00 O ATOM 1994 CB PHE A 127 13.383 10.472 -11.167 1.00 0.00 C ATOM 1995 CG PHE A 127 13.179 8.984 -11.304 1.00 0.00 C ATOM 1996 CD1 PHE A 127 14.132 8.069 -10.831 1.00 0.00 C ATOM 1997 CD2 PHE A 127 11.920 8.529 -11.733 1.00 0.00 C ATOM 1998 CE1 PHE A 127 13.800 6.708 -10.740 1.00 0.00 C ATOM 1999 CE2 PHE A 127 11.600 7.169 -11.661 1.00 0.00 C ATOM 2000 CZ PHE A 127 12.533 6.258 -11.151 1.00 0.00 C ATOM 0 H PHE A 127 15.339 10.127 -9.464 1.00 0.00 H new ATOM 0 HA PHE A 127 13.208 12.028 -9.762 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.589 10.991 -11.704 1.00 0.00 H new ATOM 0 HB3 PHE A 127 14.323 10.747 -11.645 1.00 0.00 H new ATOM 0 HD1 PHE A 127 15.114 8.410 -10.539 1.00 0.00 H new ATOM 0 HD2 PHE A 127 11.197 9.232 -12.120 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.521 6.003 -10.353 1.00 0.00 H new ATOM 0 HE2 PHE A 127 10.634 6.822 -11.998 1.00 0.00 H new ATOM 0 HZ PHE A 127 12.280 5.211 -11.073 1.00 0.00 H new ATOM 2010 N ILE A 128 12.661 9.245 -8.057 1.00 0.00 N ATOM 2011 CA ILE A 128 11.718 8.552 -7.173 1.00 0.00 C ATOM 2012 C ILE A 128 11.024 9.589 -6.297 1.00 0.00 C ATOM 2013 O ILE A 128 9.808 9.498 -6.139 1.00 0.00 O ATOM 2014 CB ILE A 128 12.344 7.395 -6.352 1.00 0.00 C ATOM 2015 CG1 ILE A 128 12.753 6.261 -7.315 1.00 0.00 C ATOM 2016 CG2 ILE A 128 11.378 6.877 -5.266 1.00 0.00 C ATOM 2017 CD1 ILE A 128 13.367 5.032 -6.640 1.00 0.00 C ATOM 0 H ILE A 128 13.617 8.898 -7.981 1.00 0.00 H new ATOM 0 HA ILE A 128 10.982 8.046 -7.797 1.00 0.00 H new ATOM 0 HB ILE A 128 13.226 7.769 -5.833 1.00 0.00 H new ATOM 0 HG12 ILE A 128 11.874 5.947 -7.878 1.00 0.00 H new ATOM 0 HG13 ILE A 128 13.468 6.657 -8.036 1.00 0.00 H new ATOM 0 HG21 ILE A 128 11.853 6.067 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 128 11.131 7.688 -4.581 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.466 6.509 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 128 13.622 4.290 -7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 128 14.268 5.325 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 128 12.649 4.604 -5.940 1.00 0.00 H new ATOM 2029 N LYS A 129 11.733 10.597 -5.763 1.00 0.00 N ATOM 2030 CA LYS A 129 11.041 11.641 -5.004 1.00 0.00 C ATOM 2031 C LYS A 129 9.925 12.274 -5.820 1.00 0.00 C ATOM 2032 O LYS A 129 8.806 12.390 -5.320 1.00 0.00 O ATOM 2033 CB LYS A 129 11.950 12.757 -4.461 1.00 0.00 C ATOM 2034 CG LYS A 129 12.699 12.461 -3.150 1.00 0.00 C ATOM 2035 CD LYS A 129 13.942 11.578 -3.254 1.00 0.00 C ATOM 2036 CE LYS A 129 14.958 12.130 -4.250 1.00 0.00 C ATOM 2037 NZ LYS A 129 15.340 13.550 -4.075 1.00 0.00 N ATOM 0 H LYS A 129 12.744 10.707 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 129 10.636 11.113 -4.141 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.687 12.999 -5.227 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.342 13.649 -4.311 1.00 0.00 H new ATOM 0 HG2 LYS A 129 12.993 13.411 -2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.002 11.987 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.408 11.492 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 129 13.648 10.573 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 129 15.861 11.522 -4.191 1.00 0.00 H new ATOM 0 HE3 LYS A 129 14.555 12.005 -5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 16.117 13.783 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 14.522 14.158 -4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 15.650 13.708 -3.095 1.00 0.00 H new ATOM 2051 N SER A 130 10.207 12.718 -7.043 1.00 0.00 N ATOM 2052 CA SER A 130 9.193 13.408 -7.820 1.00 0.00 C ATOM 2053 C SER A 130 8.104 12.436 -8.292 1.00 0.00 C ATOM 2054 O SER A 130 6.940 12.824 -8.380 1.00 0.00 O ATOM 2055 CB SER A 130 9.830 14.202 -8.960 1.00 0.00 C ATOM 2056 OG SER A 130 8.917 15.211 -9.349 1.00 0.00 O ATOM 0 H SER A 130 11.110 12.613 -7.505 1.00 0.00 H new ATOM 0 HA SER A 130 8.693 14.135 -7.180 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.773 14.644 -8.637 1.00 0.00 H new ATOM 0 HB3 SER A 130 10.057 13.547 -9.801 1.00 0.00 H new ATOM 0 HG SER A 130 9.303 15.737 -10.080 1.00 0.00 H new ATOM 2062 N GLU A 131 8.437 11.173 -8.544 1.00 0.00 N ATOM 2063 CA GLU A 131 7.495 10.128 -8.911 1.00 0.00 C ATOM 2064 C GLU A 131 6.532 9.898 -7.741 1.00 0.00 C ATOM 2065 O GLU A 131 5.315 9.909 -7.923 1.00 0.00 O ATOM 2066 CB GLU A 131 8.306 8.891 -9.330 1.00 0.00 C ATOM 2067 CG GLU A 131 7.530 7.643 -9.774 1.00 0.00 C ATOM 2068 CD GLU A 131 6.497 7.828 -10.886 1.00 0.00 C ATOM 2069 OE1 GLU A 131 6.387 8.923 -11.484 1.00 0.00 O ATOM 2070 OE2 GLU A 131 5.854 6.817 -11.261 1.00 0.00 O ATOM 0 H GLU A 131 9.401 10.842 -8.496 1.00 0.00 H new ATOM 0 HA GLU A 131 6.869 10.398 -9.761 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.965 9.184 -10.147 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.943 8.609 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 131 8.251 6.895 -10.102 1.00 0.00 H new ATOM 0 HG3 GLU A 131 7.020 7.233 -8.902 1.00 0.00 H new ATOM 2077 N LEU A 132 7.055 9.789 -6.516 1.00 0.00 N ATOM 2078 CA LEU A 132 6.251 9.658 -5.308 1.00 0.00 C ATOM 2079 C LEU A 132 5.449 10.940 -5.058 1.00 0.00 C ATOM 2080 O LEU A 132 4.352 10.852 -4.498 1.00 0.00 O ATOM 2081 CB LEU A 132 7.117 9.243 -4.105 1.00 0.00 C ATOM 2082 CG LEU A 132 7.669 7.801 -4.214 1.00 0.00 C ATOM 2083 CD1 LEU A 132 8.616 7.509 -3.048 1.00 0.00 C ATOM 2084 CD2 LEU A 132 6.559 6.738 -4.208 1.00 0.00 C ATOM 0 H LEU A 132 8.059 9.790 -6.339 1.00 0.00 H new ATOM 0 HA LEU A 132 5.528 8.855 -5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 132 7.952 9.938 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 132 6.525 9.330 -3.194 1.00 0.00 H new ATOM 0 HG LEU A 132 8.194 7.745 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 132 8.998 6.492 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 132 9.448 8.212 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 132 8.077 7.615 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 132 7.004 5.746 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 132 5.993 6.809 -3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 132 5.892 6.904 -5.054 1.00 0.00 H new ATOM 2096 N LYS A 133 5.953 12.122 -5.449 1.00 0.00 N ATOM 2097 CA LYS A 133 5.201 13.377 -5.338 1.00 0.00 C ATOM 2098 C LYS A 133 4.006 13.304 -6.280 1.00 0.00 C ATOM 2099 O LYS A 133 2.890 13.564 -5.841 1.00 0.00 O ATOM 2100 CB LYS A 133 6.041 14.636 -5.642 1.00 0.00 C ATOM 2101 CG LYS A 133 6.887 15.092 -4.445 1.00 0.00 C ATOM 2102 CD LYS A 133 7.487 16.500 -4.616 1.00 0.00 C ATOM 2103 CE LYS A 133 8.822 16.551 -5.377 1.00 0.00 C ATOM 2104 NZ LYS A 133 8.709 16.712 -6.846 1.00 0.00 N ATOM 0 H LYS A 133 6.886 12.232 -5.847 1.00 0.00 H new ATOM 0 HA LYS A 133 4.884 13.479 -4.300 1.00 0.00 H new ATOM 0 HB2 LYS A 133 6.697 14.433 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.377 15.447 -5.941 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.270 15.076 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 133 7.696 14.378 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 133 6.764 17.125 -5.140 1.00 0.00 H new ATOM 0 HD3 LYS A 133 7.632 16.939 -3.629 1.00 0.00 H new ATOM 0 HE2 LYS A 133 9.415 17.376 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 133 9.374 15.634 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 9.580 16.371 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 7.898 16.161 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 8.569 17.717 -7.075 1.00 0.00 H new ATOM 2118 N LYS A 134 4.205 12.922 -7.544 1.00 0.00 N ATOM 2119 CA LYS A 134 3.112 12.754 -8.501 1.00 0.00 C ATOM 2120 C LYS A 134 2.088 11.762 -7.959 1.00 0.00 C ATOM 2121 O LYS A 134 0.886 12.037 -7.977 1.00 0.00 O ATOM 2122 CB LYS A 134 3.654 12.308 -9.869 1.00 0.00 C ATOM 2123 CG LYS A 134 4.324 13.480 -10.598 1.00 0.00 C ATOM 2124 CD LYS A 134 4.968 13.081 -11.931 1.00 0.00 C ATOM 2125 CE LYS A 134 6.200 12.191 -11.714 1.00 0.00 C ATOM 2126 NZ LYS A 134 7.155 12.279 -12.835 1.00 0.00 N ATOM 0 H LYS A 134 5.127 12.721 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 134 2.614 13.713 -8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.372 11.499 -9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.840 11.913 -10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.581 14.257 -10.780 1.00 0.00 H new ATOM 0 HG3 LYS A 134 5.086 13.913 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 134 4.239 12.552 -12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 134 5.257 13.977 -12.480 1.00 0.00 H new ATOM 0 HE2 LYS A 134 6.699 12.483 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 134 5.881 11.156 -11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 7.971 11.662 -12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 6.688 11.976 -13.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 7.480 13.261 -12.937 1.00 0.00 H new ATOM 2140 N ALA A 135 2.565 10.643 -7.418 1.00 0.00 N ATOM 2141 CA ALA A 135 1.765 9.607 -6.785 1.00 0.00 C ATOM 2142 C ALA A 135 1.117 10.039 -5.457 1.00 0.00 C ATOM 2143 O ALA A 135 0.472 9.204 -4.813 1.00 0.00 O ATOM 2144 CB ALA A 135 2.664 8.389 -6.566 1.00 0.00 C ATOM 0 H ALA A 135 3.562 10.428 -7.411 1.00 0.00 H new ATOM 0 HA ALA A 135 0.931 9.378 -7.448 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.090 7.593 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.043 8.039 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.501 8.665 -5.924 1.00 0.00 H new