USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 677 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 84 HIS : no HD1:sc= -1.59 K(o=-2.1,f=-5.4!) USER MOD Set 1.2: A 86 THR OG1 : rot -93:sc= -0.469 USER MOD Set 2.1: A 11 SER OG : rot -101:sc= 1.32 USER MOD Set 2.2: A 21 ASN :FLIP amide:sc= 0.524 F(o=0.3!,f=1.8) USER MOD Single : A 4 THR OG1 : rot 19:sc= 0.532 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.29 X(o=-0.29,f=-0.089) USER MOD Single : A 17 ASN : amide:sc= -4.29! C(o=-4.3!,f=-7.2!) USER MOD Single : A 19 LYS NZ :NH3+ -137:sc= 0.0735 (180deg=-0.766) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.09 F(o=-3!,f=-1.1) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -173:sc= 0.778 USER MOD Single : A 31 HIS : no HD1:sc= -0.0376 X(o=-0.038,f=-0.038) USER MOD Single : A 33 SER OG : rot -72:sc= 0.563 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.751 K(o=-0.75,f=-1.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.0096) USER MOD Single : A 52 SER OG : rot 180:sc= 0.0614 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -96:sc= 1.28 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 170:sc= 0.384 USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0241) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.562 K(o=-0.56,f=-3!) USER MOD Single : A 88 SER OG : rot -23:sc= 1.06 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -149:sc= 1.04 (180deg=-0.16) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.375 -4.485 -4.143 1.00 0.00 N ATOM 37 CA ARG A 3 -16.545 -4.171 -5.295 1.00 0.00 C ATOM 38 C ARG A 3 -15.087 -4.472 -4.948 1.00 0.00 C ATOM 39 O ARG A 3 -14.645 -4.191 -3.832 1.00 0.00 O ATOM 40 CB ARG A 3 -16.721 -2.701 -5.703 1.00 0.00 C ATOM 41 CG ARG A 3 -15.679 -2.220 -6.723 1.00 0.00 C ATOM 42 CD ARG A 3 -16.134 -0.981 -7.503 1.00 0.00 C ATOM 43 NE ARG A 3 -16.380 0.169 -6.630 1.00 0.00 N ATOM 44 CZ ARG A 3 -17.001 1.280 -7.022 1.00 0.00 C ATOM 45 NH1 ARG A 3 -17.518 1.363 -8.241 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.113 2.314 -6.197 1.00 0.00 N ATOM 0 HA ARG A 3 -16.847 -4.784 -6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.718 -2.565 -6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.662 -2.075 -4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.747 -1.994 -6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.466 -3.026 -7.425 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.374 -0.719 -8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -17.044 -1.216 -8.055 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.056 0.116 -5.664 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.441 0.574 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -17.993 2.216 -8.537 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.722 2.261 -5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.590 3.162 -6.504 1.00 0.00 H new ATOM 60 N THR A 4 -14.353 -5.052 -5.891 1.00 0.00 N ATOM 61 CA THR A 4 -12.994 -5.513 -5.624 1.00 0.00 C ATOM 62 C THR A 4 -12.022 -4.341 -5.449 1.00 0.00 C ATOM 63 O THR A 4 -11.905 -3.492 -6.336 1.00 0.00 O ATOM 64 CB THR A 4 -12.475 -6.424 -6.760 1.00 0.00 C ATOM 65 OG1 THR A 4 -12.332 -5.668 -7.975 1.00 0.00 O ATOM 66 CG2 THR A 4 -13.414 -7.596 -7.005 1.00 0.00 C ATOM 0 H THR A 4 -14.674 -5.214 -6.845 1.00 0.00 H new ATOM 0 HA THR A 4 -13.039 -6.081 -4.695 1.00 0.00 H new ATOM 0 HB THR A 4 -11.506 -6.816 -6.452 1.00 0.00 H new ATOM 0 HG1 THR A 4 -12.295 -4.712 -7.763 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.019 -8.216 -7.810 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.498 -8.191 -6.096 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.398 -7.221 -7.285 1.00 0.00 H new ATOM 74 N PRO A 5 -11.323 -4.268 -4.298 1.00 0.00 N ATOM 75 CA PRO A 5 -10.279 -3.274 -4.076 1.00 0.00 C ATOM 76 C PRO A 5 -9.030 -3.586 -4.898 1.00 0.00 C ATOM 77 O PRO A 5 -8.502 -4.700 -4.848 1.00 0.00 O ATOM 78 CB PRO A 5 -9.965 -3.370 -2.572 1.00 0.00 C ATOM 79 CG PRO A 5 -10.966 -4.320 -1.990 1.00 0.00 C ATOM 80 CD PRO A 5 -11.502 -5.140 -3.136 1.00 0.00 C ATOM 0 HA PRO A 5 -10.601 -2.277 -4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.949 -3.729 -2.410 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.037 -2.391 -2.097 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.501 -4.960 -1.240 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.770 -3.778 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.955 -6.076 -3.249 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.550 -5.399 -2.987 1.00 0.00 H new ATOM 88 N LYS A 6 -8.567 -2.608 -5.657 1.00 0.00 N ATOM 89 CA LYS A 6 -7.404 -2.796 -6.509 1.00 0.00 C ATOM 90 C LYS A 6 -6.166 -2.209 -5.840 1.00 0.00 C ATOM 91 O LYS A 6 -6.266 -1.263 -5.056 1.00 0.00 O ATOM 92 CB LYS A 6 -7.643 -2.134 -7.873 1.00 0.00 C ATOM 93 CG LYS A 6 -6.503 -2.317 -8.863 1.00 0.00 C ATOM 94 CD LYS A 6 -6.739 -1.527 -10.140 1.00 0.00 C ATOM 95 CE LYS A 6 -5.608 -1.729 -11.136 1.00 0.00 C ATOM 96 NZ LYS A 6 -5.785 -0.900 -12.358 1.00 0.00 N ATOM 0 H LYS A 6 -8.978 -1.676 -5.701 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.242 -3.863 -6.663 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.556 -2.542 -8.307 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.811 -1.068 -7.722 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.567 -1.997 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.395 -3.375 -9.103 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.682 -1.835 -10.591 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.831 -0.467 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -4.659 -1.478 -10.662 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.556 -2.781 -11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.992 -1.069 -13.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.678 -1.157 -12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.809 0.106 -12.095 1.00 0.00 H new ATOM 110 N ILE A 7 -5.004 -2.772 -6.150 1.00 0.00 N ATOM 111 CA ILE A 7 -3.773 -2.393 -5.474 1.00 0.00 C ATOM 112 C ILE A 7 -2.973 -1.401 -6.299 1.00 0.00 C ATOM 113 O ILE A 7 -2.671 -1.651 -7.467 1.00 0.00 O ATOM 114 CB ILE A 7 -2.862 -3.608 -5.205 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.684 -4.862 -4.915 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.919 -3.314 -4.043 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.660 -4.703 -3.780 1.00 0.00 C ATOM 0 H ILE A 7 -4.890 -3.491 -6.864 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.081 -1.945 -4.529 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.272 -3.792 -6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.231 -5.142 -5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.006 -5.684 -4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.282 -4.180 -3.864 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.299 -2.451 -4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.501 -3.100 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.205 -5.636 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.119 -4.454 -2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.363 -3.904 -4.014 1.00 0.00 H new ATOM 129 N GLN A 8 -2.636 -0.278 -5.695 1.00 0.00 N ATOM 130 CA GLN A 8 -1.688 0.641 -6.291 1.00 0.00 C ATOM 131 C GLN A 8 -0.624 1.011 -5.263 1.00 0.00 C ATOM 132 O GLN A 8 -0.929 1.573 -4.213 1.00 0.00 O ATOM 133 CB GLN A 8 -2.385 1.895 -6.818 1.00 0.00 C ATOM 134 CG GLN A 8 -3.258 1.644 -8.038 1.00 0.00 C ATOM 135 CD GLN A 8 -3.730 2.931 -8.682 1.00 0.00 C ATOM 136 OE1 GLN A 8 -3.072 3.470 -9.571 1.00 0.00 O ATOM 137 NE2 GLN A 8 -4.868 3.433 -8.238 1.00 0.00 N ATOM 0 H GLN A 8 -3.005 0.019 -4.792 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.214 0.149 -7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.000 2.319 -6.024 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -1.631 2.640 -7.070 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.699 1.059 -8.768 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.123 1.048 -7.747 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.383 2.954 -7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.232 4.300 -8.634 1.00 0.00 H new ATOM 146 N VAL A 9 0.619 0.680 -5.568 1.00 0.00 N ATOM 147 CA VAL A 9 1.728 0.949 -4.666 1.00 0.00 C ATOM 148 C VAL A 9 2.895 1.558 -5.425 1.00 0.00 C ATOM 149 O VAL A 9 3.318 1.043 -6.461 1.00 0.00 O ATOM 150 CB VAL A 9 2.179 -0.329 -3.900 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.225 -1.535 -4.821 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.537 -0.125 -3.237 1.00 0.00 C ATOM 0 H VAL A 9 0.888 0.222 -6.439 1.00 0.00 H new ATOM 0 HA VAL A 9 1.378 1.666 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 9 1.439 -0.517 -3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.543 -2.412 -4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.234 -1.712 -5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.931 -1.348 -5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.825 -1.035 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.283 0.105 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.476 0.701 -2.528 1.00 0.00 H new ATOM 162 N TYR A 10 3.393 2.667 -4.905 1.00 0.00 N ATOM 163 CA TYR A 10 4.490 3.392 -5.520 1.00 0.00 C ATOM 164 C TYR A 10 5.091 4.340 -4.489 1.00 0.00 C ATOM 165 O TYR A 10 4.514 4.539 -3.423 1.00 0.00 O ATOM 166 CB TYR A 10 4.015 4.150 -6.776 1.00 0.00 C ATOM 167 CG TYR A 10 2.891 5.142 -6.548 1.00 0.00 C ATOM 168 CD1 TYR A 10 3.156 6.466 -6.217 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.562 4.757 -6.692 1.00 0.00 C ATOM 170 CE1 TYR A 10 2.132 7.376 -6.034 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.533 5.661 -6.505 1.00 0.00 C ATOM 172 CZ TYR A 10 0.823 6.968 -6.179 1.00 0.00 C ATOM 173 OH TYR A 10 -0.200 7.872 -6.000 1.00 0.00 O ATOM 0 H TYR A 10 3.047 3.090 -4.044 1.00 0.00 H new ATOM 0 HA TYR A 10 5.256 2.689 -5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.866 4.682 -7.203 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.689 3.421 -7.518 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.180 6.789 -6.101 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.330 3.735 -6.954 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.356 8.401 -5.779 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.494 5.344 -6.614 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.060 7.424 -6.139 1.00 0.00 H new ATOM 183 N SER A 11 6.243 4.910 -4.793 1.00 0.00 N ATOM 184 CA SER A 11 6.926 5.766 -3.839 1.00 0.00 C ATOM 185 C SER A 11 6.355 7.175 -3.906 1.00 0.00 C ATOM 186 O SER A 11 6.103 7.704 -4.993 1.00 0.00 O ATOM 187 CB SER A 11 8.426 5.784 -4.120 1.00 0.00 C ATOM 188 OG SER A 11 9.128 6.464 -3.096 1.00 0.00 O ATOM 0 H SER A 11 6.723 4.797 -5.686 1.00 0.00 H new ATOM 0 HA SER A 11 6.770 5.371 -2.835 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.796 4.762 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.614 6.269 -5.078 1.00 0.00 H new ATOM 0 HG SER A 11 9.353 7.368 -3.399 1.00 0.00 H new ATOM 194 N ARG A 12 6.132 7.768 -2.735 1.00 0.00 N ATOM 195 CA ARG A 12 5.509 9.091 -2.653 1.00 0.00 C ATOM 196 C ARG A 12 6.451 10.151 -3.229 1.00 0.00 C ATOM 197 O ARG A 12 6.025 11.033 -3.968 1.00 0.00 O ATOM 198 CB ARG A 12 5.129 9.406 -1.183 1.00 0.00 C ATOM 199 CG ARG A 12 4.188 10.600 -0.962 1.00 0.00 C ATOM 200 CD ARG A 12 4.888 11.933 -1.174 1.00 0.00 C ATOM 201 NE ARG A 12 5.922 12.173 -0.169 1.00 0.00 N ATOM 202 CZ ARG A 12 5.857 13.140 0.748 1.00 0.00 C ATOM 203 NH1 ARG A 12 4.816 13.964 0.781 1.00 0.00 N ATOM 204 NH2 ARG A 12 6.839 13.284 1.629 1.00 0.00 N ATOM 0 H ARG A 12 6.371 7.357 -1.833 1.00 0.00 H new ATOM 0 HA ARG A 12 4.594 9.100 -3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.663 8.519 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.047 9.586 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.342 10.524 -1.645 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.786 10.560 0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.336 11.954 -2.167 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.154 12.738 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 12 6.741 11.566 -0.169 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.061 13.859 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.771 14.702 1.484 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.642 12.656 1.605 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.791 14.023 2.331 1.00 0.00 H new ATOM 218 N HIS A 13 7.720 10.057 -2.879 1.00 0.00 N ATOM 219 CA HIS A 13 8.750 10.930 -3.437 1.00 0.00 C ATOM 220 C HIS A 13 9.729 10.099 -4.295 1.00 0.00 C ATOM 221 O HIS A 13 9.490 8.907 -4.483 1.00 0.00 O ATOM 222 CB HIS A 13 9.480 11.655 -2.298 1.00 0.00 C ATOM 223 CG HIS A 13 8.885 12.984 -1.930 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.282 13.644 -0.793 1.00 0.00 N ATOM 225 CD2 HIS A 13 7.953 13.736 -2.575 1.00 0.00 C ATOM 226 CE1 HIS A 13 8.595 14.774 -0.771 1.00 0.00 C ATOM 227 NE2 HIS A 13 7.780 14.873 -1.826 1.00 0.00 N ATOM 0 H HIS A 13 8.071 9.378 -2.203 1.00 0.00 H new ATOM 0 HA HIS A 13 8.292 11.681 -4.081 1.00 0.00 H new ATOM 0 HB2 HIS A 13 9.481 11.014 -1.417 1.00 0.00 H new ATOM 0 HB3 HIS A 13 10.521 11.803 -2.585 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.448 13.487 -3.497 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.682 15.523 0.002 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.149 15.647 -2.035 1.00 0.00 H new ATOM 235 N PRO A 14 10.817 10.689 -4.858 1.00 0.00 N ATOM 236 CA PRO A 14 11.820 9.916 -5.620 1.00 0.00 C ATOM 237 C PRO A 14 12.396 8.738 -4.826 1.00 0.00 C ATOM 238 O PRO A 14 12.676 8.858 -3.635 1.00 0.00 O ATOM 239 CB PRO A 14 12.935 10.933 -5.925 1.00 0.00 C ATOM 240 CG PRO A 14 12.634 12.144 -5.081 1.00 0.00 C ATOM 241 CD PRO A 14 11.145 12.128 -4.853 1.00 0.00 C ATOM 0 HA PRO A 14 11.371 9.474 -6.510 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.915 10.522 -5.682 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.950 11.190 -6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.174 12.105 -4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.942 13.059 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.878 12.598 -3.907 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.612 12.665 -5.638 1.00 0.00 H new ATOM 249 N ALA A 15 12.583 7.607 -5.502 1.00 0.00 N ATOM 250 CA ALA A 15 13.109 6.403 -4.869 1.00 0.00 C ATOM 251 C ALA A 15 14.633 6.388 -4.917 1.00 0.00 C ATOM 252 O ALA A 15 15.229 6.263 -5.989 1.00 0.00 O ATOM 253 CB ALA A 15 12.555 5.158 -5.551 1.00 0.00 C ATOM 0 H ALA A 15 12.376 7.500 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 15 12.794 6.404 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.957 4.268 -5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.468 5.154 -5.473 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.843 5.160 -6.602 1.00 0.00 H new ATOM 259 N GLU A 16 15.271 6.520 -3.764 1.00 0.00 N ATOM 260 CA GLU A 16 16.717 6.545 -3.708 1.00 0.00 C ATOM 261 C GLU A 16 17.247 5.439 -2.792 1.00 0.00 C ATOM 262 O GLU A 16 16.826 5.319 -1.643 1.00 0.00 O ATOM 263 CB GLU A 16 17.175 7.918 -3.204 1.00 0.00 C ATOM 264 CG GLU A 16 18.667 8.168 -3.327 1.00 0.00 C ATOM 265 CD GLU A 16 19.041 9.592 -2.976 1.00 0.00 C ATOM 266 OE1 GLU A 16 19.867 9.788 -2.064 1.00 0.00 O ATOM 267 OE2 GLU A 16 18.490 10.524 -3.603 1.00 0.00 O ATOM 0 H GLU A 16 14.808 6.611 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 16 17.115 6.369 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.643 8.691 -3.759 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.887 8.022 -2.158 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.203 7.482 -2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.987 7.951 -4.346 1.00 0.00 H new ATOM 274 N ASN A 17 18.165 4.634 -3.310 1.00 0.00 N ATOM 275 CA ASN A 17 18.769 3.549 -2.534 1.00 0.00 C ATOM 276 C ASN A 17 19.870 4.082 -1.620 1.00 0.00 C ATOM 277 O ASN A 17 20.748 4.835 -2.049 1.00 0.00 O ATOM 278 CB ASN A 17 19.307 2.446 -3.465 1.00 0.00 C ATOM 279 CG ASN A 17 20.360 1.546 -2.820 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.309 1.245 -1.632 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.330 1.108 -3.610 1.00 0.00 N ATOM 0 H ASN A 17 18.511 4.709 -4.267 1.00 0.00 H new ATOM 0 HA ASN A 17 17.996 3.109 -1.904 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.473 1.829 -3.800 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.736 2.911 -4.352 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.060 0.504 -3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.346 1.375 -4.594 1.00 0.00 H new ATOM 288 N GLY A 18 19.793 3.687 -0.357 1.00 0.00 N ATOM 289 CA GLY A 18 20.729 4.152 0.645 1.00 0.00 C ATOM 290 C GLY A 18 20.261 5.456 1.234 1.00 0.00 C ATOM 291 O GLY A 18 21.024 6.194 1.861 1.00 0.00 O ATOM 0 H GLY A 18 19.086 3.042 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.830 3.405 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.715 4.280 0.199 1.00 0.00 H new ATOM 295 N LYS A 19 18.982 5.720 1.041 1.00 0.00 N ATOM 296 CA LYS A 19 18.393 6.988 1.386 1.00 0.00 C ATOM 297 C LYS A 19 16.999 6.783 1.936 1.00 0.00 C ATOM 298 O LYS A 19 16.318 5.819 1.587 1.00 0.00 O ATOM 299 CB LYS A 19 18.337 7.842 0.130 1.00 0.00 C ATOM 300 CG LYS A 19 17.908 9.283 0.355 1.00 0.00 C ATOM 301 CD LYS A 19 18.886 10.055 1.207 1.00 0.00 C ATOM 302 CE LYS A 19 18.627 11.558 1.141 1.00 0.00 C ATOM 303 NZ LYS A 19 18.700 12.070 -0.255 1.00 0.00 N ATOM 0 H LYS A 19 18.324 5.053 0.638 1.00 0.00 H new ATOM 0 HA LYS A 19 18.991 7.483 2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.322 7.840 -0.337 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.648 7.379 -0.576 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.800 9.781 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.928 9.296 0.832 1.00 0.00 H new ATOM 0 HD2 LYS A 19 18.813 9.718 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.903 9.846 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.644 11.776 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.358 12.080 1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 19.226 12.967 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 19.187 11.374 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.738 12.227 -0.618 1.00 0.00 H new ATOM 317 N SER A 20 16.591 7.681 2.806 1.00 0.00 N ATOM 318 CA SER A 20 15.277 7.624 3.384 1.00 0.00 C ATOM 319 C SER A 20 14.228 8.002 2.347 1.00 0.00 C ATOM 320 O SER A 20 14.364 9.004 1.634 1.00 0.00 O ATOM 321 CB SER A 20 15.216 8.558 4.573 1.00 0.00 C ATOM 322 OG SER A 20 16.228 8.246 5.518 1.00 0.00 O ATOM 0 H SER A 20 17.160 8.464 3.127 1.00 0.00 H new ATOM 0 HA SER A 20 15.069 6.608 3.718 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.333 9.588 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.237 8.486 5.046 1.00 0.00 H new ATOM 0 HG SER A 20 16.169 8.864 6.276 1.00 0.00 H new ATOM 328 N ASN A 21 13.189 7.198 2.275 1.00 0.00 N ATOM 329 CA ASN A 21 12.162 7.338 1.255 1.00 0.00 C ATOM 330 C ASN A 21 10.798 7.134 1.911 1.00 0.00 C ATOM 331 O ASN A 21 10.722 6.651 3.041 1.00 0.00 O ATOM 332 CB ASN A 21 12.406 6.288 0.148 1.00 0.00 C ATOM 333 CG ASN A 21 11.646 6.546 -1.144 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.344 7.798 -1.455 1.00 0.00 O flip ATOM 335 ND2 ASN A 21 11.328 5.605 -1.870 1.00 0.00 N flip ATOM 0 H ASN A 21 13.029 6.426 2.922 1.00 0.00 H new ATOM 0 HA ASN A 21 12.194 8.329 0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.473 6.253 -0.073 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.127 5.305 0.529 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.574 4.651 -1.605 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.819 5.779 -2.736 1.00 0.00 H new ATOM 342 N PHE A 22 9.726 7.500 1.222 1.00 0.00 N ATOM 343 CA PHE A 22 8.389 7.367 1.780 1.00 0.00 C ATOM 344 C PHE A 22 7.534 6.501 0.868 1.00 0.00 C ATOM 345 O PHE A 22 7.268 6.871 -0.278 1.00 0.00 O ATOM 346 CB PHE A 22 7.727 8.740 1.956 1.00 0.00 C ATOM 347 CG PHE A 22 8.300 9.584 3.065 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.545 9.857 4.195 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.580 10.112 2.978 1.00 0.00 C ATOM 350 CE1 PHE A 22 8.054 10.633 5.216 1.00 0.00 C ATOM 351 CE2 PHE A 22 10.095 10.890 3.998 1.00 0.00 C ATOM 352 CZ PHE A 22 9.330 11.150 5.118 1.00 0.00 C ATOM 0 H PHE A 22 9.756 7.890 0.280 1.00 0.00 H new ATOM 0 HA PHE A 22 8.473 6.897 2.760 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.812 9.291 1.019 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.663 8.593 2.144 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.545 9.457 4.277 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.181 9.913 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.454 10.836 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 22 11.094 11.294 3.919 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.730 11.757 5.917 1.00 0.00 H new ATOM 362 N LEU A 23 7.111 5.348 1.372 1.00 0.00 N ATOM 363 CA LEU A 23 6.286 4.435 0.594 1.00 0.00 C ATOM 364 C LEU A 23 4.871 4.956 0.544 1.00 0.00 C ATOM 365 O LEU A 23 4.465 5.756 1.382 1.00 0.00 O ATOM 366 CB LEU A 23 6.280 3.042 1.218 1.00 0.00 C ATOM 367 CG LEU A 23 6.657 1.871 0.288 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.553 0.552 1.038 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.779 1.830 -0.958 1.00 0.00 C ATOM 0 H LEU A 23 7.326 5.024 2.315 1.00 0.00 H new ATOM 0 HA LEU A 23 6.701 4.369 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.970 3.043 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.285 2.852 1.620 1.00 0.00 H new ATOM 0 HG LEU A 23 7.686 2.027 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.821 -0.268 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.232 0.564 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.531 0.413 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.078 0.991 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.736 1.711 -0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.895 2.759 -1.515 1.00 0.00 H new ATOM 381 N ASN A 24 4.133 4.519 -0.446 1.00 0.00 N ATOM 382 CA ASN A 24 2.739 4.884 -0.562 1.00 0.00 C ATOM 383 C ASN A 24 1.927 3.711 -1.099 1.00 0.00 C ATOM 384 O ASN A 24 2.232 3.171 -2.165 1.00 0.00 O ATOM 385 CB ASN A 24 2.591 6.120 -1.461 1.00 0.00 C ATOM 386 CG ASN A 24 1.157 6.404 -1.847 1.00 0.00 C ATOM 387 OD1 ASN A 24 0.740 5.885 -2.991 1.00 0.00 O flip ATOM 388 ND2 ASN A 24 0.438 7.092 -1.134 1.00 0.00 N flip ATOM 0 H ASN A 24 4.474 3.907 -1.187 1.00 0.00 H new ATOM 0 HA ASN A 24 2.353 5.134 0.426 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.001 6.988 -0.945 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.183 5.977 -2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.801 7.472 -0.260 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.524 7.285 -1.414 1.00 0.00 H new ATOM 395 N CYS A 25 0.901 3.321 -0.361 1.00 0.00 N ATOM 396 CA CYS A 25 0.053 2.208 -0.755 1.00 0.00 C ATOM 397 C CYS A 25 -1.401 2.666 -0.749 1.00 0.00 C ATOM 398 O CYS A 25 -1.922 3.111 0.280 1.00 0.00 O ATOM 399 CB CYS A 25 0.268 1.023 0.189 1.00 0.00 C ATOM 400 SG CYS A 25 -0.131 -0.597 -0.544 1.00 0.00 S ATOM 0 H CYS A 25 0.634 3.762 0.519 1.00 0.00 H new ATOM 0 HA CYS A 25 0.312 1.879 -1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.308 1.016 0.514 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.343 1.167 1.080 1.00 0.00 H new ATOM 405 N TYR A 26 -2.042 2.572 -1.904 1.00 0.00 N ATOM 406 CA TYR A 26 -3.391 3.079 -2.089 1.00 0.00 C ATOM 407 C TYR A 26 -4.326 1.945 -2.456 1.00 0.00 C ATOM 408 O TYR A 26 -4.259 1.408 -3.564 1.00 0.00 O ATOM 409 CB TYR A 26 -3.429 4.137 -3.197 1.00 0.00 C ATOM 410 CG TYR A 26 -3.477 5.576 -2.723 1.00 0.00 C ATOM 411 CD1 TYR A 26 -2.331 6.354 -2.682 1.00 0.00 C ATOM 412 CD2 TYR A 26 -4.681 6.168 -2.356 1.00 0.00 C ATOM 413 CE1 TYR A 26 -2.380 7.679 -2.290 1.00 0.00 C ATOM 414 CE2 TYR A 26 -4.736 7.490 -1.958 1.00 0.00 C ATOM 415 CZ TYR A 26 -3.584 8.240 -1.930 1.00 0.00 C ATOM 416 OH TYR A 26 -3.634 9.559 -1.540 1.00 0.00 O ATOM 0 H TYR A 26 -1.641 2.142 -2.738 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.711 3.534 -1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.549 4.010 -3.828 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.301 3.950 -3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.383 5.918 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.589 5.584 -2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.477 8.271 -2.266 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.679 7.932 -1.670 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.558 9.800 -1.320 1.00 0.00 H new ATOM 426 N VAL A 27 -5.179 1.569 -1.526 1.00 0.00 N ATOM 427 CA VAL A 27 -6.177 0.556 -1.796 1.00 0.00 C ATOM 428 C VAL A 27 -7.558 1.182 -1.693 1.00 0.00 C ATOM 429 O VAL A 27 -7.996 1.556 -0.609 1.00 0.00 O ATOM 430 CB VAL A 27 -6.076 -0.642 -0.827 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.738 -1.864 -1.439 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.630 -0.939 -0.462 1.00 0.00 C ATOM 0 H VAL A 27 -5.201 1.948 -0.579 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.002 0.173 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.599 -0.381 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.662 -2.704 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.789 -1.649 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.240 -2.118 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.594 -1.788 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.068 -1.176 -1.365 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.190 -0.066 0.020 1.00 0.00 H new ATOM 442 N SER A 28 -8.222 1.332 -2.828 1.00 0.00 N ATOM 443 CA SER A 28 -9.515 1.989 -2.856 1.00 0.00 C ATOM 444 C SER A 28 -10.383 1.439 -3.981 1.00 0.00 C ATOM 445 O SER A 28 -9.972 0.530 -4.710 1.00 0.00 O ATOM 446 CB SER A 28 -9.332 3.503 -3.001 1.00 0.00 C ATOM 447 OG SER A 28 -10.552 4.194 -2.771 1.00 0.00 O ATOM 0 H SER A 28 -7.888 1.009 -3.736 1.00 0.00 H new ATOM 0 HA SER A 28 -10.025 1.787 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.577 3.850 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.964 3.733 -4.001 1.00 0.00 H new ATOM 0 HG SER A 28 -10.432 5.146 -2.971 1.00 0.00 H new ATOM 453 N GLY A 29 -11.586 1.990 -4.103 1.00 0.00 N ATOM 454 CA GLY A 29 -12.542 1.509 -5.073 1.00 0.00 C ATOM 455 C GLY A 29 -13.413 0.430 -4.481 1.00 0.00 C ATOM 456 O GLY A 29 -14.058 -0.322 -5.196 1.00 0.00 O ATOM 0 H GLY A 29 -11.915 2.772 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.164 2.335 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.017 1.120 -5.945 1.00 0.00 H new ATOM 460 N PHE A 30 -13.435 0.363 -3.163 1.00 0.00 N ATOM 461 CA PHE A 30 -14.128 -0.705 -2.464 1.00 0.00 C ATOM 462 C PHE A 30 -15.176 -0.160 -1.491 1.00 0.00 C ATOM 463 O PHE A 30 -15.387 1.049 -1.392 1.00 0.00 O ATOM 464 CB PHE A 30 -13.115 -1.550 -1.696 1.00 0.00 C ATOM 465 CG PHE A 30 -12.473 -0.795 -0.562 1.00 0.00 C ATOM 466 CD1 PHE A 30 -11.325 -0.055 -0.772 1.00 0.00 C ATOM 467 CD2 PHE A 30 -13.034 -0.807 0.705 1.00 0.00 C ATOM 468 CE1 PHE A 30 -10.746 0.658 0.259 1.00 0.00 C ATOM 469 CE2 PHE A 30 -12.459 -0.098 1.738 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.312 0.635 1.515 1.00 0.00 C ATOM 0 H PHE A 30 -12.978 1.039 -2.551 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.643 -1.313 -3.207 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.611 -2.437 -1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.341 -1.896 -2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.876 -0.034 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -13.932 -1.379 0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.850 1.234 0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -12.906 -0.116 2.721 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.859 1.190 2.323 1.00 0.00 H new ATOM 480 N HIS A 31 -15.798 -1.088 -0.769 1.00 0.00 N ATOM 481 CA HIS A 31 -16.785 -0.791 0.276 1.00 0.00 C ATOM 482 C HIS A 31 -16.674 -1.900 1.324 1.00 0.00 C ATOM 483 O HIS A 31 -15.990 -2.895 1.067 1.00 0.00 O ATOM 484 CB HIS A 31 -18.240 -0.709 -0.266 1.00 0.00 C ATOM 485 CG HIS A 31 -18.472 0.366 -1.289 1.00 0.00 C ATOM 486 ND1 HIS A 31 -18.703 1.665 -0.917 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.520 0.279 -2.642 1.00 0.00 C ATOM 488 CE1 HIS A 31 -18.886 2.337 -2.038 1.00 0.00 C ATOM 489 NE2 HIS A 31 -18.788 1.542 -3.114 1.00 0.00 N ATOM 0 H HIS A 31 -15.630 -2.086 -0.893 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.571 0.191 0.698 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.504 -1.671 -0.705 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.916 -0.545 0.573 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.375 -0.612 -3.235 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.090 3.397 -2.083 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -18.892 1.820 -4.090 1.00 0.00 H new ATOM 497 N PRO A 32 -17.300 -1.787 2.515 1.00 0.00 N ATOM 498 CA PRO A 32 -18.066 -0.608 2.962 1.00 0.00 C ATOM 499 C PRO A 32 -17.245 0.684 3.024 1.00 0.00 C ATOM 500 O PRO A 32 -17.491 1.598 2.243 1.00 0.00 O ATOM 501 CB PRO A 32 -18.564 -1.001 4.358 1.00 0.00 C ATOM 502 CG PRO A 32 -18.514 -2.489 4.377 1.00 0.00 C ATOM 503 CD PRO A 32 -17.348 -2.870 3.510 1.00 0.00 C ATOM 0 HA PRO A 32 -18.863 -0.377 2.255 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.933 -0.574 5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.576 -0.637 4.533 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -18.385 -2.863 5.393 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -19.441 -2.916 3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -16.423 -2.931 4.083 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -17.497 -3.842 3.040 1.00 0.00 H new ATOM 511 N SER A 33 -16.282 0.794 3.940 1.00 0.00 N ATOM 512 CA SER A 33 -15.479 2.013 4.055 1.00 0.00 C ATOM 513 C SER A 33 -14.135 1.686 4.703 1.00 0.00 C ATOM 514 O SER A 33 -13.428 2.571 5.182 1.00 0.00 O ATOM 515 CB SER A 33 -16.205 3.056 4.910 1.00 0.00 C ATOM 516 OG SER A 33 -17.435 3.453 4.324 1.00 0.00 O ATOM 0 H SER A 33 -16.040 0.062 4.607 1.00 0.00 H new ATOM 0 HA SER A 33 -15.321 2.417 3.055 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.391 2.647 5.903 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.565 3.929 5.040 1.00 0.00 H new ATOM 0 HG SER A 33 -17.258 4.016 3.541 1.00 0.00 H new ATOM 522 N ASP A 34 -13.793 0.405 4.701 1.00 0.00 N ATOM 523 CA ASP A 34 -12.606 -0.066 5.413 1.00 0.00 C ATOM 524 C ASP A 34 -12.013 -1.323 4.782 1.00 0.00 C ATOM 525 O ASP A 34 -12.733 -2.244 4.386 1.00 0.00 O ATOM 526 CB ASP A 34 -12.923 -0.313 6.896 1.00 0.00 C ATOM 527 CG ASP A 34 -11.929 -1.238 7.571 1.00 0.00 C ATOM 528 OD1 ASP A 34 -10.832 -0.777 7.946 1.00 0.00 O ATOM 529 OD2 ASP A 34 -12.254 -2.433 7.746 1.00 0.00 O ATOM 0 H ASP A 34 -14.315 -0.326 4.218 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.857 0.722 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.937 0.641 7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.923 -0.739 6.982 1.00 0.00 H new ATOM 534 N ILE A 35 -10.692 -1.339 4.698 1.00 0.00 N ATOM 535 CA ILE A 35 -9.933 -2.492 4.229 1.00 0.00 C ATOM 536 C ILE A 35 -8.644 -2.560 5.029 1.00 0.00 C ATOM 537 O ILE A 35 -8.180 -1.539 5.541 1.00 0.00 O ATOM 538 CB ILE A 35 -9.569 -2.417 2.720 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.160 -3.804 2.205 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.427 -1.431 2.491 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.241 -3.769 0.998 1.00 0.00 C ATOM 0 H ILE A 35 -10.108 -0.543 4.956 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.558 -3.375 4.365 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.447 -2.073 2.174 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.665 -4.347 3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.059 -4.364 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.187 -1.393 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.728 -0.440 2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.549 -1.755 3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.998 -4.788 0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.740 -3.256 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.324 -3.239 1.254 1.00 0.00 H new ATOM 553 N GLU A 36 -8.071 -3.739 5.163 1.00 0.00 N ATOM 554 CA GLU A 36 -6.797 -3.869 5.839 1.00 0.00 C ATOM 555 C GLU A 36 -5.714 -4.173 4.822 1.00 0.00 C ATOM 556 O GLU A 36 -5.810 -5.139 4.056 1.00 0.00 O ATOM 557 CB GLU A 36 -6.836 -4.979 6.887 1.00 0.00 C ATOM 558 CG GLU A 36 -5.674 -4.923 7.875 1.00 0.00 C ATOM 559 CD GLU A 36 -5.702 -3.681 8.743 1.00 0.00 C ATOM 560 OE1 GLU A 36 -5.654 -3.817 9.982 1.00 0.00 O ATOM 561 OE2 GLU A 36 -5.768 -2.567 8.193 1.00 0.00 O ATOM 0 H GLU A 36 -8.464 -4.614 4.816 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.582 -2.928 6.346 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.774 -4.915 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.827 -5.945 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.702 -5.807 8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.733 -4.956 7.325 1.00 0.00 H new ATOM 568 N VAL A 37 -4.695 -3.345 4.814 1.00 0.00 N ATOM 569 CA VAL A 37 -3.578 -3.514 3.903 1.00 0.00 C ATOM 570 C VAL A 37 -2.265 -3.384 4.666 1.00 0.00 C ATOM 571 O VAL A 37 -2.089 -2.484 5.487 1.00 0.00 O ATOM 572 CB VAL A 37 -3.651 -2.533 2.692 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.728 -1.494 2.916 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.311 -1.860 2.387 1.00 0.00 C ATOM 0 H VAL A 37 -4.613 -2.539 5.433 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.632 -4.516 3.478 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.905 -3.133 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.765 -0.818 2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.693 -1.989 3.029 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.503 -0.926 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.426 -1.190 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.984 -1.289 3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.567 -2.621 2.152 1.00 0.00 H new ATOM 584 N ASP A 38 -1.371 -4.315 4.403 1.00 0.00 N ATOM 585 CA ASP A 38 -0.110 -4.406 5.117 1.00 0.00 C ATOM 586 C ASP A 38 1.047 -4.329 4.133 1.00 0.00 C ATOM 587 O ASP A 38 0.930 -4.767 2.993 1.00 0.00 O ATOM 588 CB ASP A 38 -0.070 -5.705 5.946 1.00 0.00 C ATOM 589 CG ASP A 38 1.119 -6.596 5.639 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.206 -6.347 6.189 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.951 -7.567 4.870 1.00 0.00 O ATOM 0 H ASP A 38 -1.497 -5.031 3.688 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.016 -3.568 5.808 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.054 -5.448 7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.987 -6.266 5.768 1.00 0.00 H new ATOM 596 N LEU A 39 2.139 -3.731 4.559 1.00 0.00 N ATOM 597 CA LEU A 39 3.296 -3.577 3.695 1.00 0.00 C ATOM 598 C LEU A 39 4.329 -4.641 4.032 1.00 0.00 C ATOM 599 O LEU A 39 4.555 -4.951 5.197 1.00 0.00 O ATOM 600 CB LEU A 39 3.910 -2.181 3.835 1.00 0.00 C ATOM 601 CG LEU A 39 2.927 -1.004 3.803 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.678 0.311 3.921 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.088 -1.007 2.541 1.00 0.00 C ATOM 0 H LEU A 39 2.253 -3.343 5.496 1.00 0.00 H new ATOM 0 HA LEU A 39 2.973 -3.698 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.462 -2.142 4.774 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.636 -2.044 3.033 1.00 0.00 H new ATOM 0 HG LEU A 39 2.254 -1.116 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.969 1.138 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.229 0.332 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.376 0.407 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.405 -0.158 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.740 -0.932 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.515 -1.933 2.487 1.00 0.00 H new ATOM 615 N LEU A 40 4.950 -5.196 3.010 1.00 0.00 N ATOM 616 CA LEU A 40 5.861 -6.313 3.180 1.00 0.00 C ATOM 617 C LEU A 40 7.305 -5.949 2.873 1.00 0.00 C ATOM 618 O LEU A 40 7.624 -4.847 2.435 1.00 0.00 O ATOM 619 CB LEU A 40 5.469 -7.478 2.283 1.00 0.00 C ATOM 620 CG LEU A 40 4.000 -7.874 2.311 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.733 -8.939 1.260 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.610 -8.365 3.695 1.00 0.00 C ATOM 0 H LEU A 40 4.839 -4.889 2.044 1.00 0.00 H new ATOM 0 HA LEU A 40 5.787 -6.594 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.738 -7.228 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.065 -8.346 2.566 1.00 0.00 H new ATOM 0 HG LEU A 40 3.390 -7.000 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.680 -9.219 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.981 -8.547 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.346 -9.816 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.556 -8.644 3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.216 -9.232 3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.777 -7.571 4.423 1.00 0.00 H new ATOM 634 N LYS A 41 8.145 -6.945 3.089 1.00 0.00 N ATOM 635 CA LYS A 41 9.577 -6.870 2.845 1.00 0.00 C ATOM 636 C LYS A 41 10.090 -8.239 2.463 1.00 0.00 C ATOM 637 O LYS A 41 10.232 -9.106 3.326 1.00 0.00 O ATOM 638 CB LYS A 41 10.332 -6.360 4.062 1.00 0.00 C ATOM 639 CG LYS A 41 10.314 -4.847 4.192 1.00 0.00 C ATOM 640 CD LYS A 41 10.793 -4.406 5.568 1.00 0.00 C ATOM 641 CE LYS A 41 10.831 -2.893 5.696 1.00 0.00 C ATOM 642 NZ LYS A 41 11.192 -2.453 7.068 1.00 0.00 N ATOM 0 H LYS A 41 7.844 -7.851 3.448 1.00 0.00 H new ATOM 0 HA LYS A 41 9.746 -6.163 2.032 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.898 -6.800 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.366 -6.700 4.008 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.950 -4.406 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.303 -4.477 4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.133 -4.819 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.788 -4.811 5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.552 -2.488 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.857 -2.483 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.205 -1.414 7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.491 -2.816 7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.133 -2.821 7.314 1.00 0.00 H new ATOM 656 N ASN A 42 10.305 -8.445 1.165 1.00 0.00 N ATOM 657 CA ASN A 42 10.746 -9.738 0.622 1.00 0.00 C ATOM 658 C ASN A 42 9.635 -10.787 0.734 1.00 0.00 C ATOM 659 O ASN A 42 9.663 -11.815 0.061 1.00 0.00 O ATOM 660 CB ASN A 42 12.027 -10.209 1.332 1.00 0.00 C ATOM 661 CG ASN A 42 13.196 -9.279 1.063 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.372 -8.794 -0.054 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.984 -8.999 2.087 1.00 0.00 N ATOM 0 H ASN A 42 10.180 -7.723 0.456 1.00 0.00 H new ATOM 0 HA ASN A 42 10.971 -9.608 -0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.847 -10.266 2.406 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.279 -11.215 0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.770 -8.361 1.966 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.806 -9.421 2.998 1.00 0.00 H new ATOM 670 N GLY A 43 8.660 -10.502 1.586 1.00 0.00 N ATOM 671 CA GLY A 43 7.519 -11.373 1.758 1.00 0.00 C ATOM 672 C GLY A 43 7.041 -11.401 3.197 1.00 0.00 C ATOM 673 O GLY A 43 6.175 -12.199 3.554 1.00 0.00 O ATOM 0 H GLY A 43 8.642 -9.666 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.707 -11.039 1.112 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.782 -12.383 1.443 1.00 0.00 H new ATOM 677 N GLU A 44 7.607 -10.535 4.036 1.00 0.00 N ATOM 678 CA GLU A 44 7.285 -10.533 5.447 1.00 0.00 C ATOM 679 C GLU A 44 6.666 -9.203 5.875 1.00 0.00 C ATOM 680 O GLU A 44 7.003 -8.152 5.334 1.00 0.00 O ATOM 681 CB GLU A 44 8.554 -10.825 6.226 1.00 0.00 C ATOM 682 CG GLU A 44 9.204 -12.126 5.788 1.00 0.00 C ATOM 683 CD GLU A 44 10.253 -12.626 6.753 1.00 0.00 C ATOM 684 OE1 GLU A 44 9.900 -13.398 7.670 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.435 -12.266 6.592 1.00 0.00 O ATOM 0 H GLU A 44 8.289 -9.830 3.756 1.00 0.00 H new ATOM 0 HA GLU A 44 6.541 -11.303 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.259 -10.004 6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.323 -10.876 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.433 -12.888 5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.660 -11.984 4.808 1.00 0.00 H new ATOM 692 N ARG A 45 5.759 -9.278 6.845 1.00 0.00 N ATOM 693 CA ARG A 45 4.956 -8.140 7.289 1.00 0.00 C ATOM 694 C ARG A 45 5.793 -7.049 7.965 1.00 0.00 C ATOM 695 O ARG A 45 6.687 -7.339 8.765 1.00 0.00 O ATOM 696 CB ARG A 45 3.889 -8.653 8.260 1.00 0.00 C ATOM 697 CG ARG A 45 2.942 -7.608 8.775 1.00 0.00 C ATOM 698 CD ARG A 45 1.688 -8.293 9.328 1.00 0.00 C ATOM 699 NE ARG A 45 1.374 -9.534 8.609 1.00 0.00 N ATOM 700 CZ ARG A 45 0.143 -10.036 8.486 1.00 0.00 C ATOM 701 NH1 ARG A 45 -0.896 -9.398 9.011 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.049 -11.179 7.834 1.00 0.00 N ATOM 0 H ARG A 45 5.558 -10.140 7.351 1.00 0.00 H new ATOM 0 HA ARG A 45 4.502 -7.683 6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.311 -9.431 7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.387 -9.120 9.110 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.422 -7.018 9.555 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.672 -6.919 7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.833 -8.514 10.386 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.842 -7.610 9.258 1.00 0.00 H new ATOM 0 HE ARG A 45 2.144 -10.044 8.177 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.756 -8.520 9.511 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.834 -9.786 8.914 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.745 -11.674 7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.990 -11.561 7.741 1.00 0.00 H new ATOM 716 N ILE A 46 5.489 -5.797 7.634 1.00 0.00 N ATOM 717 CA ILE A 46 6.084 -4.643 8.292 1.00 0.00 C ATOM 718 C ILE A 46 5.146 -4.144 9.380 1.00 0.00 C ATOM 719 O ILE A 46 3.930 -4.093 9.192 1.00 0.00 O ATOM 720 CB ILE A 46 6.346 -3.488 7.301 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.252 -3.949 6.168 1.00 0.00 C ATOM 722 CG2 ILE A 46 6.972 -2.294 8.014 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.403 -2.920 5.069 1.00 0.00 C ATOM 0 H ILE A 46 4.822 -5.556 6.901 1.00 0.00 H new ATOM 0 HA ILE A 46 7.038 -4.959 8.714 1.00 0.00 H new ATOM 0 HB ILE A 46 5.387 -3.181 6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.236 -4.187 6.572 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.851 -4.869 5.743 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.148 -1.493 7.296 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.297 -1.941 8.794 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.919 -2.594 8.462 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.061 -3.311 4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.426 -2.700 4.640 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.832 -2.007 5.482 1.00 0.00 H new ATOM 735 N GLU A 47 5.711 -3.770 10.509 1.00 0.00 N ATOM 736 CA GLU A 47 4.913 -3.375 11.664 1.00 0.00 C ATOM 737 C GLU A 47 4.806 -1.857 11.800 1.00 0.00 C ATOM 738 O GLU A 47 3.743 -1.331 12.143 1.00 0.00 O ATOM 739 CB GLU A 47 5.460 -4.024 12.951 1.00 0.00 C ATOM 740 CG GLU A 47 6.948 -4.263 12.982 1.00 0.00 C ATOM 741 CD GLU A 47 7.735 -3.188 13.688 1.00 0.00 C ATOM 742 OE1 GLU A 47 7.340 -2.771 14.794 1.00 0.00 O ATOM 743 OE2 GLU A 47 8.779 -2.784 13.143 1.00 0.00 O ATOM 0 H GLU A 47 6.719 -3.729 10.657 1.00 0.00 H new ATOM 0 HA GLU A 47 3.900 -3.743 11.503 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.195 -3.389 13.797 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.954 -4.978 13.098 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.141 -5.218 13.471 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.312 -4.350 11.958 1.00 0.00 H new ATOM 750 N LYS A 48 5.899 -1.157 11.528 1.00 0.00 N ATOM 751 CA LYS A 48 5.943 0.299 11.614 1.00 0.00 C ATOM 752 C LYS A 48 5.109 1.011 10.544 1.00 0.00 C ATOM 753 O LYS A 48 5.139 2.240 10.450 1.00 0.00 O ATOM 754 CB LYS A 48 7.396 0.724 11.531 1.00 0.00 C ATOM 755 CG LYS A 48 8.221 -0.026 12.550 1.00 0.00 C ATOM 756 CD LYS A 48 9.703 0.287 12.479 1.00 0.00 C ATOM 757 CE LYS A 48 10.339 -0.362 11.262 1.00 0.00 C ATOM 758 NZ LYS A 48 11.805 -0.117 11.215 1.00 0.00 N ATOM 0 H LYS A 48 6.781 -1.581 11.241 1.00 0.00 H new ATOM 0 HA LYS A 48 5.495 0.594 12.563 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.781 0.533 10.529 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.479 1.797 11.705 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.855 0.213 13.549 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.077 -1.097 12.405 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.849 1.366 12.438 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.197 -0.067 13.384 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.149 -1.435 11.280 1.00 0.00 H new ATOM 0 HE3 LYS A 48 9.875 0.028 10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.207 -0.574 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.985 0.906 11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.250 -0.512 12.068 1.00 0.00 H new ATOM 772 N VAL A 49 4.392 0.247 9.729 1.00 0.00 N ATOM 773 CA VAL A 49 3.459 0.819 8.768 1.00 0.00 C ATOM 774 C VAL A 49 2.359 1.587 9.463 1.00 0.00 C ATOM 775 O VAL A 49 1.859 1.174 10.512 1.00 0.00 O ATOM 776 CB VAL A 49 2.819 -0.259 7.890 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.763 0.341 6.967 1.00 0.00 C ATOM 778 CG2 VAL A 49 3.897 -0.942 7.096 1.00 0.00 C ATOM 0 H VAL A 49 4.439 -0.772 9.715 1.00 0.00 H new ATOM 0 HA VAL A 49 4.040 1.495 8.141 1.00 0.00 H new ATOM 0 HB VAL A 49 2.316 -0.989 8.525 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.325 -0.447 6.355 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.983 0.812 7.565 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.226 1.087 6.321 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.452 -1.713 6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.406 -0.210 6.469 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.616 -1.399 7.776 1.00 0.00 H new ATOM 788 N GLU A 50 1.976 2.694 8.867 1.00 0.00 N ATOM 789 CA GLU A 50 0.973 3.537 9.445 1.00 0.00 C ATOM 790 C GLU A 50 -0.016 3.992 8.407 1.00 0.00 C ATOM 791 O GLU A 50 0.293 4.075 7.215 1.00 0.00 O ATOM 792 CB GLU A 50 1.648 4.737 10.091 1.00 0.00 C ATOM 793 CG GLU A 50 1.756 5.948 9.223 1.00 0.00 C ATOM 794 CD GLU A 50 2.243 7.146 10.014 1.00 0.00 C ATOM 795 OE1 GLU A 50 3.457 7.444 9.975 1.00 0.00 O ATOM 796 OE2 GLU A 50 1.416 7.782 10.698 1.00 0.00 O ATOM 0 H GLU A 50 2.351 3.026 7.978 1.00 0.00 H new ATOM 0 HA GLU A 50 0.425 2.971 10.198 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.095 5.003 10.992 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.650 4.445 10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.442 5.749 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.785 6.170 8.782 1.00 0.00 H new ATOM 803 N HIS A 51 -1.210 4.256 8.869 1.00 0.00 N ATOM 804 CA HIS A 51 -2.185 4.907 8.036 1.00 0.00 C ATOM 805 C HIS A 51 -2.531 6.285 8.589 1.00 0.00 C ATOM 806 O HIS A 51 -2.642 6.473 9.802 1.00 0.00 O ATOM 807 CB HIS A 51 -3.451 4.053 7.866 1.00 0.00 C ATOM 808 CG HIS A 51 -4.136 3.676 9.146 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.373 4.176 9.462 1.00 0.00 N ATOM 810 CD2 HIS A 51 -3.733 2.842 10.134 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.699 3.637 10.621 1.00 0.00 C ATOM 812 NE2 HIS A 51 -4.735 2.819 11.070 1.00 0.00 N ATOM 0 H HIS A 51 -1.529 4.032 9.812 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.742 5.031 7.048 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.158 4.598 7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.187 3.141 7.330 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.801 2.299 10.177 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.625 3.830 11.143 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.745 2.284 11.938 1.00 0.00 H new ATOM 820 N SER A 52 -2.635 7.251 7.686 1.00 0.00 N ATOM 821 CA SER A 52 -3.068 8.597 8.035 1.00 0.00 C ATOM 822 C SER A 52 -4.581 8.630 8.246 1.00 0.00 C ATOM 823 O SER A 52 -5.221 7.579 8.291 1.00 0.00 O ATOM 824 CB SER A 52 -2.656 9.563 6.911 1.00 0.00 C ATOM 825 OG SER A 52 -2.900 8.978 5.640 1.00 0.00 O ATOM 0 H SER A 52 -2.423 7.125 6.696 1.00 0.00 H new ATOM 0 HA SER A 52 -2.592 8.904 8.966 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.213 10.495 7.002 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.599 9.812 7.007 1.00 0.00 H new ATOM 0 HG SER A 52 -2.635 9.605 4.935 1.00 0.00 H new ATOM 973 N PHE A 62 -14.587 5.692 -0.706 1.00 0.00 N ATOM 974 CA PHE A 62 -13.720 6.246 0.319 1.00 0.00 C ATOM 975 C PHE A 62 -12.304 5.718 0.121 1.00 0.00 C ATOM 976 O PHE A 62 -12.108 4.604 -0.373 1.00 0.00 O ATOM 977 CB PHE A 62 -14.241 5.889 1.722 1.00 0.00 C ATOM 978 CG PHE A 62 -15.708 6.195 1.958 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.104 7.370 2.594 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.693 5.296 1.561 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.447 7.635 2.827 1.00 0.00 C ATOM 982 CE2 PHE A 62 -18.034 5.561 1.790 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.408 6.730 2.422 1.00 0.00 C ATOM 0 HA PHE A 62 -13.713 7.333 0.233 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -14.075 4.826 1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.649 6.429 2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -15.357 8.083 2.910 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -16.409 4.379 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -17.740 8.548 3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.786 4.853 1.474 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.453 6.937 2.600 1.00 0.00 H new ATOM 993 N TYR A 63 -11.323 6.521 0.494 1.00 0.00 N ATOM 994 CA TYR A 63 -9.930 6.211 0.213 1.00 0.00 C ATOM 995 C TYR A 63 -9.188 5.893 1.510 1.00 0.00 C ATOM 996 O TYR A 63 -9.541 6.408 2.564 1.00 0.00 O ATOM 997 CB TYR A 63 -9.290 7.412 -0.508 1.00 0.00 C ATOM 998 CG TYR A 63 -10.142 7.947 -1.645 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.117 7.358 -2.905 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -10.988 9.033 -1.448 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -10.913 7.836 -3.932 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -11.781 9.517 -2.471 1.00 0.00 C ATOM 1003 CZ TYR A 63 -11.742 8.914 -3.709 1.00 0.00 C ATOM 1004 OH TYR A 63 -12.543 9.381 -4.729 1.00 0.00 O ATOM 0 H TYR A 63 -11.466 7.398 0.995 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.867 5.333 -0.429 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.115 8.210 0.213 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.316 7.117 -0.899 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.467 6.515 -3.085 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -11.026 9.507 -0.478 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -10.884 7.366 -4.904 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -12.429 10.364 -2.301 1.00 0.00 H new ATOM 0 HH TYR A 63 -13.068 10.144 -4.409 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.189 5.018 1.440 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.388 4.681 2.609 1.00 0.00 C ATOM 1016 C LEU A 64 -5.927 4.477 2.212 1.00 0.00 C ATOM 1017 O LEU A 64 -5.625 3.795 1.229 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.004 3.449 3.295 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.166 2.736 4.355 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.070 2.275 5.485 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.454 1.547 3.735 1.00 0.00 C ATOM 0 H LEU A 64 -7.916 4.531 0.586 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.395 5.500 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.941 3.756 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.254 2.724 2.521 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.418 3.423 4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.474 1.766 6.243 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.564 3.138 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.821 1.590 5.093 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.858 1.043 4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.190 0.852 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.802 1.891 2.932 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.032 5.103 2.970 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.612 5.127 2.640 1.00 0.00 C ATOM 1035 C LEU A 65 -2.787 4.438 3.730 1.00 0.00 C ATOM 1036 O LEU A 65 -2.956 4.716 4.913 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.160 6.587 2.490 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.046 6.869 1.472 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.803 8.374 1.371 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.754 6.140 1.824 1.00 0.00 C ATOM 0 H LEU A 65 -5.269 5.605 3.826 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.456 4.589 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.029 7.185 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.825 6.940 3.465 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.374 6.491 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.011 8.567 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.719 8.870 1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.505 8.761 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.007 6.368 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.409 6.465 2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.936 5.065 1.841 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.893 3.555 3.313 1.00 0.00 N ATOM 1053 CA TYR A 66 -0.970 2.884 4.226 1.00 0.00 C ATOM 1054 C TYR A 66 0.458 3.099 3.759 1.00 0.00 C ATOM 1055 O TYR A 66 0.804 2.764 2.628 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.275 1.389 4.318 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.218 0.993 5.436 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.749 0.818 6.734 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.562 0.747 5.190 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.595 0.411 7.751 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.409 0.346 6.200 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.922 0.173 7.477 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.765 -0.232 8.489 1.00 0.00 O ATOM 0 H TYR A 66 -1.784 3.281 2.336 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.095 3.314 5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.703 1.062 3.370 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.337 0.850 4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.707 1.003 6.952 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.950 0.872 4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.216 0.281 8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.453 0.168 5.991 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.848 -1.208 8.475 1.00 0.00 H new ATOM 1073 N TYR A 67 1.284 3.677 4.617 1.00 0.00 N ATOM 1074 CA TYR A 67 2.650 3.978 4.225 1.00 0.00 C ATOM 1075 C TYR A 67 3.625 3.672 5.347 1.00 0.00 C ATOM 1076 O TYR A 67 3.224 3.402 6.480 1.00 0.00 O ATOM 1077 CB TYR A 67 2.782 5.447 3.786 1.00 0.00 C ATOM 1078 CG TYR A 67 2.447 6.453 4.860 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.335 6.712 5.893 1.00 0.00 C ATOM 1080 CD2 TYR A 67 1.244 7.142 4.839 1.00 0.00 C ATOM 1081 CE1 TYR A 67 3.037 7.633 6.872 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.934 8.066 5.816 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.834 8.309 6.830 1.00 0.00 C ATOM 1084 OH TYR A 67 1.535 9.236 7.802 1.00 0.00 O ATOM 0 H TYR A 67 1.039 3.942 5.571 1.00 0.00 H new ATOM 0 HA TYR A 67 2.898 3.339 3.378 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.803 5.622 3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.129 5.617 2.930 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.276 6.183 5.930 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.537 6.952 4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.740 7.826 7.668 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.007 8.595 5.786 1.00 0.00 H new ATOM 0 HH TYR A 67 0.651 9.621 7.626 1.00 0.00 H new ATOM 1094 N THR A 68 4.903 3.706 5.020 1.00 0.00 N ATOM 1095 CA THR A 68 5.946 3.534 6.015 1.00 0.00 C ATOM 1096 C THR A 68 7.221 4.219 5.542 1.00 0.00 C ATOM 1097 O THR A 68 7.494 4.286 4.337 1.00 0.00 O ATOM 1098 CB THR A 68 6.222 2.035 6.305 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.157 1.887 7.382 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.757 1.316 5.073 1.00 0.00 C ATOM 0 H THR A 68 5.245 3.852 4.070 1.00 0.00 H new ATOM 0 HA THR A 68 5.605 3.991 6.944 1.00 0.00 H new ATOM 0 HB THR A 68 5.270 1.584 6.587 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.315 0.934 7.549 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.939 0.268 5.313 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.026 1.382 4.267 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.690 1.783 4.756 1.00 0.00 H new ATOM 1108 N GLU A 69 7.968 4.765 6.484 1.00 0.00 N ATOM 1109 CA GLU A 69 9.266 5.330 6.182 1.00 0.00 C ATOM 1110 C GLU A 69 10.268 4.190 6.072 1.00 0.00 C ATOM 1111 O GLU A 69 10.392 3.360 6.978 1.00 0.00 O ATOM 1112 CB GLU A 69 9.673 6.345 7.265 1.00 0.00 C ATOM 1113 CG GLU A 69 10.977 7.092 6.993 1.00 0.00 C ATOM 1114 CD GLU A 69 12.212 6.275 7.320 1.00 0.00 C ATOM 1115 OE1 GLU A 69 13.056 6.075 6.424 1.00 0.00 O ATOM 1116 OE2 GLU A 69 12.335 5.824 8.480 1.00 0.00 O ATOM 0 H GLU A 69 7.696 4.828 7.465 1.00 0.00 H new ATOM 0 HA GLU A 69 9.237 5.871 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.871 7.074 7.378 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.764 5.821 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.009 7.383 5.943 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.991 8.011 7.579 1.00 0.00 H new ATOM 1123 N PHE A 70 10.963 4.143 4.956 1.00 0.00 N ATOM 1124 CA PHE A 70 11.837 3.030 4.658 1.00 0.00 C ATOM 1125 C PHE A 70 13.075 3.534 3.936 1.00 0.00 C ATOM 1126 O PHE A 70 13.064 4.616 3.350 1.00 0.00 O ATOM 1127 CB PHE A 70 11.101 1.952 3.831 1.00 0.00 C ATOM 1128 CG PHE A 70 10.730 2.360 2.428 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.744 1.431 1.402 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.377 3.660 2.138 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.417 1.795 0.109 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.046 4.034 0.849 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.067 3.100 -0.170 1.00 0.00 C ATOM 0 H PHE A 70 10.939 4.866 4.237 1.00 0.00 H new ATOM 0 HA PHE A 70 12.146 2.561 5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.731 1.064 3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.192 1.668 4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.014 0.407 1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.359 4.396 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.436 1.059 -0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.771 5.057 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.811 3.390 -1.178 1.00 0.00 H new ATOM 1143 N THR A 71 14.140 2.767 3.997 1.00 0.00 N ATOM 1144 CA THR A 71 15.359 3.099 3.294 1.00 0.00 C ATOM 1145 C THR A 71 15.632 2.046 2.218 1.00 0.00 C ATOM 1146 O THR A 71 16.270 1.032 2.492 1.00 0.00 O ATOM 1147 CB THR A 71 16.541 3.168 4.281 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.173 3.996 5.388 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.794 3.730 3.619 1.00 0.00 C ATOM 0 H THR A 71 14.186 1.900 4.532 1.00 0.00 H new ATOM 0 HA THR A 71 15.245 4.074 2.821 1.00 0.00 H new ATOM 0 HB THR A 71 16.768 2.156 4.618 1.00 0.00 H new ATOM 0 HG1 THR A 71 16.918 4.044 6.022 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.606 3.763 4.346 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.081 3.092 2.783 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.592 4.737 3.254 1.00 0.00 H new ATOM 1157 N PRO A 72 15.090 2.237 0.996 1.00 0.00 N ATOM 1158 CA PRO A 72 15.303 1.315 -0.125 1.00 0.00 C ATOM 1159 C PRO A 72 16.772 0.993 -0.337 1.00 0.00 C ATOM 1160 O PRO A 72 17.641 1.863 -0.226 1.00 0.00 O ATOM 1161 CB PRO A 72 14.734 2.060 -1.347 1.00 0.00 C ATOM 1162 CG PRO A 72 14.420 3.447 -0.876 1.00 0.00 C ATOM 1163 CD PRO A 72 14.218 3.351 0.614 1.00 0.00 C ATOM 0 HA PRO A 72 14.820 0.355 0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.456 2.079 -2.163 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.840 1.564 -1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.233 4.132 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.525 3.831 -1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.499 4.275 1.119 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.177 3.153 0.868 1.00 0.00 H new ATOM 1171 N THR A 73 17.030 -0.267 -0.627 1.00 0.00 N ATOM 1172 CA THR A 73 18.376 -0.767 -0.785 1.00 0.00 C ATOM 1173 C THR A 73 18.451 -1.668 -2.007 1.00 0.00 C ATOM 1174 O THR A 73 17.421 -2.042 -2.566 1.00 0.00 O ATOM 1175 CB THR A 73 18.831 -1.576 0.452 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.008 -2.740 0.609 1.00 0.00 O ATOM 1177 CG2 THR A 73 18.759 -0.746 1.722 1.00 0.00 C ATOM 0 H THR A 73 16.307 -0.974 -0.760 1.00 0.00 H new ATOM 0 HA THR A 73 19.034 0.094 -0.903 1.00 0.00 H new ATOM 0 HB THR A 73 19.868 -1.868 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.398 -3.327 1.290 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.086 -1.348 2.569 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.407 0.125 1.624 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.732 -0.418 1.885 1.00 0.00 H new ATOM 1185 N GLU A 74 19.658 -2.004 -2.415 1.00 0.00 N ATOM 1186 CA GLU A 74 19.863 -2.957 -3.495 1.00 0.00 C ATOM 1187 C GLU A 74 19.347 -4.340 -3.085 1.00 0.00 C ATOM 1188 O GLU A 74 18.584 -4.980 -3.807 1.00 0.00 O ATOM 1189 CB GLU A 74 21.357 -3.026 -3.825 1.00 0.00 C ATOM 1190 CG GLU A 74 21.674 -3.324 -5.281 1.00 0.00 C ATOM 1191 CD GLU A 74 21.158 -4.667 -5.758 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.163 -4.690 -6.510 1.00 0.00 O ATOM 1193 OE2 GLU A 74 21.752 -5.701 -5.382 1.00 0.00 O ATOM 0 H GLU A 74 20.518 -1.631 -2.014 1.00 0.00 H new ATOM 0 HA GLU A 74 19.311 -2.632 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.819 -2.077 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.817 -3.794 -3.203 1.00 0.00 H new ATOM 0 HG2 GLU A 74 21.246 -2.539 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.754 -3.290 -5.422 1.00 0.00 H new ATOM 1200 N LYS A 75 19.748 -4.770 -1.896 1.00 0.00 N ATOM 1201 CA LYS A 75 19.541 -6.137 -1.445 1.00 0.00 C ATOM 1202 C LYS A 75 18.090 -6.446 -1.088 1.00 0.00 C ATOM 1203 O LYS A 75 17.591 -7.518 -1.429 1.00 0.00 O ATOM 1204 CB LYS A 75 20.432 -6.410 -0.234 1.00 0.00 C ATOM 1205 CG LYS A 75 21.924 -6.367 -0.539 1.00 0.00 C ATOM 1206 CD LYS A 75 22.658 -5.416 0.393 1.00 0.00 C ATOM 1207 CE LYS A 75 22.521 -5.831 1.858 1.00 0.00 C ATOM 1208 NZ LYS A 75 23.187 -7.131 2.146 1.00 0.00 N ATOM 0 H LYS A 75 20.227 -4.178 -1.217 1.00 0.00 H new ATOM 0 HA LYS A 75 19.804 -6.788 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.209 -5.677 0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.183 -7.390 0.174 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.345 -7.368 -0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.076 -6.055 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 75 23.713 -5.385 0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 75 22.266 -4.407 0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.951 -5.057 2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.464 -5.903 2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.154 -7.319 3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.695 -7.893 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.178 -7.090 1.833 1.00 0.00 H new ATOM 1222 N ASP A 76 17.401 -5.527 -0.422 1.00 0.00 N ATOM 1223 CA ASP A 76 16.091 -5.865 0.154 1.00 0.00 C ATOM 1224 C ASP A 76 14.953 -5.462 -0.784 1.00 0.00 C ATOM 1225 O ASP A 76 15.199 -5.009 -1.903 1.00 0.00 O ATOM 1226 CB ASP A 76 15.914 -5.212 1.525 1.00 0.00 C ATOM 1227 CG ASP A 76 15.419 -6.193 2.567 1.00 0.00 C ATOM 1228 OD1 ASP A 76 14.297 -6.006 3.083 1.00 0.00 O ATOM 1229 OD2 ASP A 76 16.145 -7.168 2.864 1.00 0.00 O ATOM 0 H ASP A 76 17.709 -4.567 -0.266 1.00 0.00 H new ATOM 0 HA ASP A 76 16.055 -6.947 0.282 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.865 -4.789 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.209 -4.385 1.443 1.00 0.00 H new ATOM 1234 N GLU A 77 13.706 -5.626 -0.330 1.00 0.00 N ATOM 1235 CA GLU A 77 12.543 -5.373 -1.181 1.00 0.00 C ATOM 1236 C GLU A 77 11.299 -5.176 -0.325 1.00 0.00 C ATOM 1237 O GLU A 77 11.223 -5.695 0.784 1.00 0.00 O ATOM 1238 CB GLU A 77 12.329 -6.542 -2.149 1.00 0.00 C ATOM 1239 CG GLU A 77 11.306 -6.270 -3.249 1.00 0.00 C ATOM 1240 CD GLU A 77 11.856 -5.369 -4.333 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.733 -5.828 -5.096 1.00 0.00 O ATOM 1242 OE2 GLU A 77 11.404 -4.213 -4.442 1.00 0.00 O ATOM 0 H GLU A 77 13.479 -5.931 0.616 1.00 0.00 H new ATOM 0 HA GLU A 77 12.725 -4.466 -1.757 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.283 -6.794 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.009 -7.415 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.990 -7.215 -3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.419 -5.810 -2.812 1.00 0.00 H new ATOM 1249 N TYR A 78 10.338 -4.420 -0.837 1.00 0.00 N ATOM 1250 CA TYR A 78 9.111 -4.143 -0.114 1.00 0.00 C ATOM 1251 C TYR A 78 7.898 -4.473 -0.981 1.00 0.00 C ATOM 1252 O TYR A 78 7.973 -4.444 -2.210 1.00 0.00 O ATOM 1253 CB TYR A 78 9.072 -2.672 0.329 1.00 0.00 C ATOM 1254 CG TYR A 78 10.378 -2.171 0.916 1.00 0.00 C ATOM 1255 CD1 TYR A 78 11.458 -1.831 0.104 1.00 0.00 C ATOM 1256 CD2 TYR A 78 10.529 -2.044 2.287 1.00 0.00 C ATOM 1257 CE1 TYR A 78 12.648 -1.386 0.648 1.00 0.00 C ATOM 1258 CE2 TYR A 78 11.714 -1.596 2.836 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.769 -1.271 2.015 1.00 0.00 C ATOM 1260 OH TYR A 78 13.952 -0.834 2.567 1.00 0.00 O ATOM 0 H TYR A 78 10.388 -3.986 -1.758 1.00 0.00 H new ATOM 0 HA TYR A 78 9.081 -4.772 0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.809 -2.052 -0.528 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.281 -2.546 1.068 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.364 -1.917 -0.968 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.706 -2.300 2.938 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.477 -1.130 0.005 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.812 -1.501 3.907 1.00 0.00 H new ATOM 0 HH TYR A 78 13.868 -0.809 3.543 1.00 0.00 H new ATOM 1270 N ALA A 79 6.788 -4.802 -0.336 1.00 0.00 N ATOM 1271 CA ALA A 79 5.570 -5.203 -1.051 1.00 0.00 C ATOM 1272 C ALA A 79 4.315 -4.660 -0.374 1.00 0.00 C ATOM 1273 O ALA A 79 4.377 -4.176 0.744 1.00 0.00 O ATOM 1274 CB ALA A 79 5.491 -6.718 -1.185 1.00 0.00 C ATOM 0 H ALA A 79 6.699 -4.801 0.680 1.00 0.00 H new ATOM 0 HA ALA A 79 5.623 -4.770 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.580 -6.989 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.357 -7.080 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.480 -7.171 -0.194 1.00 0.00 H new ATOM 1280 N CYS A 80 3.197 -4.681 -1.083 1.00 0.00 N ATOM 1281 CA CYS A 80 1.909 -4.289 -0.518 1.00 0.00 C ATOM 1282 C CYS A 80 0.950 -5.480 -0.496 1.00 0.00 C ATOM 1283 O CYS A 80 0.807 -6.184 -1.496 1.00 0.00 O ATOM 1284 CB CYS A 80 1.286 -3.159 -1.338 1.00 0.00 C ATOM 1285 SG CYS A 80 1.687 -1.484 -0.753 1.00 0.00 S ATOM 0 H CYS A 80 3.153 -4.968 -2.061 1.00 0.00 H new ATOM 0 HA CYS A 80 2.080 -3.943 0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.614 -3.256 -2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.203 -3.281 -1.335 1.00 0.00 H new ATOM 1290 N ARG A 81 0.304 -5.696 0.641 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.689 -6.756 0.801 1.00 0.00 C ATOM 1292 C ARG A 81 -2.037 -6.145 1.160 1.00 0.00 C ATOM 1293 O ARG A 81 -2.095 -5.209 1.946 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.284 -7.687 1.942 1.00 0.00 C ATOM 1295 CG ARG A 81 -1.110 -8.960 2.037 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.900 -9.656 3.377 1.00 0.00 C ATOM 1297 NE ARG A 81 0.498 -9.980 3.615 1.00 0.00 N ATOM 1298 CZ ARG A 81 0.990 -11.215 3.547 1.00 0.00 C ATOM 1299 NH1 ARG A 81 0.173 -12.245 3.350 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.286 -11.425 3.721 1.00 0.00 N ATOM 0 H ARG A 81 0.452 -5.140 1.483 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.753 -7.310 -0.135 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.765 -7.957 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.365 -7.144 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.166 -8.722 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.836 -9.636 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.264 -9.014 4.179 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.493 -10.570 3.407 1.00 0.00 H new ATOM 0 HE ARG A 81 1.136 -9.219 3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.830 -12.089 3.251 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.549 -13.192 3.298 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.909 -10.640 3.908 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.661 -12.372 3.668 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.120 -6.667 0.603 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.450 -6.236 1.025 1.00 0.00 C ATOM 1316 C VAL A 82 -5.356 -7.432 1.226 1.00 0.00 C ATOM 1317 O VAL A 82 -5.250 -8.443 0.524 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.123 -5.252 0.048 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.112 -4.289 -0.504 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.859 -5.972 -1.066 1.00 0.00 C ATOM 0 H VAL A 82 -3.109 -7.377 -0.129 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.302 -5.704 1.965 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.870 -4.688 0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.603 -3.601 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.662 -3.725 0.313 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.336 -4.841 -1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.318 -5.240 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.156 -6.584 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.633 -6.609 -0.638 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.211 -7.320 2.214 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.157 -8.373 2.531 1.00 0.00 C ATOM 1332 C ASN A 83 -8.591 -7.863 2.429 1.00 0.00 C ATOM 1333 O ASN A 83 -8.972 -6.946 3.156 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.910 -8.887 3.963 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.462 -9.278 4.234 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.099 -10.448 4.183 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.619 -8.294 4.509 1.00 0.00 N ATOM 0 H ASN A 83 -6.274 -6.502 2.821 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.015 -9.182 1.815 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.207 -8.115 4.673 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.550 -9.750 4.145 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.636 -8.499 4.686 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.953 -7.331 4.544 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.382 -8.435 1.522 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.796 -8.142 1.463 1.00 0.00 C ATOM 1346 C HIS A 84 -11.530 -9.411 1.073 1.00 0.00 C ATOM 1347 O HIS A 84 -10.933 -10.321 0.493 1.00 0.00 O ATOM 1348 CB HIS A 84 -11.081 -7.042 0.444 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.333 -6.276 0.730 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.465 -6.464 -0.019 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.575 -5.331 1.674 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.368 -5.635 0.476 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.875 -4.927 1.503 1.00 0.00 N ATOM 0 H HIS A 84 -9.059 -9.103 0.822 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.135 -7.791 2.437 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.238 -6.351 0.422 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.155 -7.487 -0.548 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.879 -4.968 2.416 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.376 -5.540 0.101 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.371 -4.224 2.051 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.817 -9.466 1.377 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.609 -10.662 1.121 1.00 0.00 C ATOM 1363 C VAL A 85 -13.745 -10.928 -0.373 1.00 0.00 C ATOM 1364 O VAL A 85 -13.985 -12.060 -0.793 1.00 0.00 O ATOM 1365 CB VAL A 85 -15.019 -10.560 1.747 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.921 -10.376 3.252 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.823 -9.429 1.120 1.00 0.00 C ATOM 0 H VAL A 85 -13.337 -8.698 1.801 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.076 -11.491 1.587 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.544 -11.493 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.923 -10.306 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.400 -11.228 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.369 -9.462 3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.809 -9.384 1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.305 -8.483 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.931 -9.609 0.050 1.00 0.00 H new ATOM 1377 N THR A 86 -13.586 -9.879 -1.168 1.00 0.00 N ATOM 1378 CA THR A 86 -13.775 -9.959 -2.604 1.00 0.00 C ATOM 1379 C THR A 86 -12.656 -10.745 -3.272 1.00 0.00 C ATOM 1380 O THR A 86 -12.894 -11.593 -4.133 1.00 0.00 O ATOM 1381 CB THR A 86 -13.802 -8.544 -3.194 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.570 -7.880 -2.907 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.927 -7.730 -2.609 1.00 0.00 C ATOM 0 H THR A 86 -13.323 -8.952 -0.834 1.00 0.00 H new ATOM 0 HA THR A 86 -14.718 -10.473 -2.789 1.00 0.00 H new ATOM 0 HB THR A 86 -13.949 -8.635 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.661 -7.366 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.920 -6.732 -3.047 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.879 -8.215 -2.827 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.798 -7.653 -1.529 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.432 -10.441 -2.870 1.00 0.00 N ATOM 1392 CA LEU A 87 -10.265 -11.070 -3.456 1.00 0.00 C ATOM 1393 C LEU A 87 -10.240 -12.554 -3.128 1.00 0.00 C ATOM 1394 O LEU A 87 -9.649 -13.341 -3.864 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.978 -10.388 -2.977 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.799 -8.947 -3.458 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.426 -8.415 -3.069 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -9.006 -8.867 -4.964 1.00 0.00 C ATOM 0 H LEU A 87 -11.224 -9.761 -2.139 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.324 -10.957 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.963 -10.397 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.125 -10.977 -3.313 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.549 -8.322 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.320 -7.389 -3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.320 -8.439 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.653 -9.036 -3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.876 -7.837 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.277 -9.504 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.013 -9.203 -5.211 1.00 0.00 H new ATOM 1410 N SER A 88 -10.881 -12.906 -2.003 1.00 0.00 N ATOM 1411 CA SER A 88 -10.993 -14.288 -1.499 1.00 0.00 C ATOM 1412 C SER A 88 -9.621 -14.859 -1.109 1.00 0.00 C ATOM 1413 O SER A 88 -9.523 -15.829 -0.358 1.00 0.00 O ATOM 1414 CB SER A 88 -11.726 -15.201 -2.507 1.00 0.00 C ATOM 1415 OG SER A 88 -10.917 -15.538 -3.624 1.00 0.00 O ATOM 0 H SER A 88 -11.347 -12.225 -1.404 1.00 0.00 H new ATOM 0 HA SER A 88 -11.598 -14.256 -0.593 1.00 0.00 H new ATOM 0 HB2 SER A 88 -12.041 -16.114 -2.002 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.630 -14.701 -2.855 1.00 0.00 H new ATOM 0 HG SER A 88 -10.210 -14.868 -3.730 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.572 -14.219 -1.608 1.00 0.00 N ATOM 1422 CA GLN A 89 -7.195 -14.549 -1.304 1.00 0.00 C ATOM 1423 C GLN A 89 -6.437 -13.230 -1.346 1.00 0.00 C ATOM 1424 O GLN A 89 -6.418 -12.585 -2.396 1.00 0.00 O ATOM 1425 CB GLN A 89 -6.610 -15.495 -2.362 1.00 0.00 C ATOM 1426 CG GLN A 89 -7.566 -16.589 -2.809 1.00 0.00 C ATOM 1427 CD GLN A 89 -7.106 -17.314 -4.054 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -5.906 -17.449 -4.305 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -8.060 -17.779 -4.846 1.00 0.00 N ATOM 0 H GLN A 89 -8.663 -13.434 -2.253 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.120 -15.048 -0.338 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.311 -14.910 -3.232 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.707 -15.957 -1.962 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.685 -17.310 -2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.547 -16.151 -2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.040 -17.644 -4.598 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.815 -18.272 -5.704 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.864 -12.774 -0.216 1.00 0.00 N ATOM 1439 CA PRO A 90 -5.193 -11.464 -0.142 1.00 0.00 C ATOM 1440 C PRO A 90 -4.236 -11.208 -1.292 1.00 0.00 C ATOM 1441 O PRO A 90 -3.624 -12.130 -1.839 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.440 -11.537 1.176 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.301 -12.404 2.018 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.822 -13.475 1.087 1.00 0.00 C ATOM 0 HA PRO A 90 -5.909 -10.644 -0.205 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.445 -11.963 1.047 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.309 -10.550 1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.735 -12.840 2.841 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.119 -11.835 2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.164 -14.344 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.807 -13.831 1.388 1.00 0.00 H new ATOM 1452 N LYS A 91 -4.079 -9.940 -1.623 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.365 -9.555 -2.815 1.00 0.00 C ATOM 1454 C LYS A 91 -2.032 -8.932 -2.458 1.00 0.00 C ATOM 1455 O LYS A 91 -1.971 -8.029 -1.625 1.00 0.00 O ATOM 1456 CB LYS A 91 -4.174 -8.555 -3.627 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.536 -8.256 -4.961 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.554 -9.482 -5.844 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.954 -9.779 -6.364 1.00 0.00 C ATOM 1460 NZ LYS A 91 -4.968 -10.928 -7.307 1.00 0.00 N ATOM 0 H LYS A 91 -4.441 -9.159 -1.076 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.200 -10.455 -3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -5.179 -8.947 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.279 -7.630 -3.061 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.068 -7.440 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.509 -7.923 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.877 -9.335 -6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.184 -10.340 -5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.615 -9.992 -5.524 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.350 -8.895 -6.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.940 -11.095 -7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.358 -10.715 -8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.615 -11.778 -6.823 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.971 -9.420 -3.073 1.00 0.00 N ATOM 1475 CA ILE A 92 0.347 -8.834 -2.883 1.00 0.00 C ATOM 1476 C ILE A 92 0.854 -8.237 -4.184 1.00 0.00 C ATOM 1477 O ILE A 92 0.844 -8.887 -5.232 1.00 0.00 O ATOM 1478 CB ILE A 92 1.405 -9.845 -2.373 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.074 -10.367 -0.963 1.00 0.00 C ATOM 1480 CG2 ILE A 92 2.796 -9.212 -2.382 1.00 0.00 C ATOM 1481 CD1 ILE A 92 -0.028 -11.401 -0.918 1.00 0.00 C ATOM 0 H ILE A 92 -0.993 -10.219 -3.707 1.00 0.00 H new ATOM 0 HA ILE A 92 0.219 -8.066 -2.120 1.00 0.00 H new ATOM 0 HB ILE A 92 1.390 -10.697 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.976 -10.797 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.788 -9.523 -0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.527 -9.935 -2.021 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.053 -8.913 -3.398 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.801 -8.336 -1.733 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.194 -11.712 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.946 -10.972 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.260 -12.266 -1.515 1.00 0.00 H new ATOM 1493 N VAL A 93 1.282 -6.997 -4.105 1.00 0.00 N ATOM 1494 CA VAL A 93 1.925 -6.325 -5.213 1.00 0.00 C ATOM 1495 C VAL A 93 3.248 -5.756 -4.729 1.00 0.00 C ATOM 1496 O VAL A 93 3.296 -5.066 -3.713 1.00 0.00 O ATOM 1497 CB VAL A 93 1.039 -5.199 -5.794 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.756 -4.469 -6.919 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.282 -5.761 -6.292 1.00 0.00 C ATOM 0 H VAL A 93 1.194 -6.423 -3.266 1.00 0.00 H new ATOM 0 HA VAL A 93 2.091 -7.046 -6.014 1.00 0.00 H new ATOM 0 HB VAL A 93 0.837 -4.485 -4.995 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.112 -3.682 -7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.677 -4.028 -6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.994 -5.173 -7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.891 -4.953 -6.697 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.093 -6.499 -7.072 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.811 -6.235 -5.465 1.00 0.00 H new ATOM 1509 N LYS A 94 4.314 -6.061 -5.441 1.00 0.00 N ATOM 1510 CA LYS A 94 5.637 -5.639 -5.028 1.00 0.00 C ATOM 1511 C LYS A 94 5.824 -4.168 -5.377 1.00 0.00 C ATOM 1512 O LYS A 94 5.232 -3.674 -6.341 1.00 0.00 O ATOM 1513 CB LYS A 94 6.719 -6.498 -5.700 1.00 0.00 C ATOM 1514 CG LYS A 94 7.450 -5.797 -6.841 1.00 0.00 C ATOM 1515 CD LYS A 94 8.655 -6.593 -7.315 1.00 0.00 C ATOM 1516 CE LYS A 94 9.941 -5.766 -7.291 1.00 0.00 C ATOM 1517 NZ LYS A 94 9.791 -4.446 -7.961 1.00 0.00 N ATOM 0 H LYS A 94 4.290 -6.599 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 94 5.735 -5.769 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.447 -6.800 -4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.259 -7.409 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.763 -5.647 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.774 -4.809 -6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.779 -7.472 -6.683 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.475 -6.952 -8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.248 -5.610 -6.257 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.738 -6.327 -7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.699 -4.165 -8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.070 -4.515 -8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.499 -3.733 -7.262 1.00 0.00 H new ATOM 1531 N TRP A 95 6.624 -3.465 -4.592 1.00 0.00 N ATOM 1532 CA TRP A 95 6.894 -2.074 -4.874 1.00 0.00 C ATOM 1533 C TRP A 95 7.849 -1.968 -6.049 1.00 0.00 C ATOM 1534 O TRP A 95 8.946 -2.522 -6.031 1.00 0.00 O ATOM 1535 CB TRP A 95 7.464 -1.345 -3.651 1.00 0.00 C ATOM 1536 CG TRP A 95 7.853 0.061 -3.973 1.00 0.00 C ATOM 1537 CD1 TRP A 95 7.009 1.089 -4.262 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.179 0.588 -4.064 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.727 2.221 -4.543 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.061 1.942 -4.424 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.454 0.045 -3.882 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.167 2.761 -4.609 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.555 0.859 -4.060 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.405 2.208 -4.423 1.00 0.00 C ATOM 0 H TRP A 95 7.091 -3.834 -3.764 1.00 0.00 H new ATOM 0 HA TRP A 95 5.951 -1.590 -5.127 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.723 -1.343 -2.852 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.334 -1.886 -3.278 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.931 1.022 -4.269 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.331 3.125 -4.799 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.576 -0.992 -3.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.054 3.798 -4.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.546 0.453 -3.918 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.284 2.821 -4.558 1.00 0.00 H new