USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 690 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 9 HIS HE2 : A 9 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 42 HIS HE2 : A 42 HIS NE2 : A 501 ZNZN :(H bumps) USER MOD NoAdj-H: A 49 HIS HE2 : A 49 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 79 HIS HE2 : A 79 HIS NE2 : A 701 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 4:sc= 0.397 USER MOD Single : A -4 SER OG : rot 180:sc=-0.00916 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -114:sc= 0.0312 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.59) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -160:sc= 0 USER MOD Single : A 27 SER OG : rot 170:sc= -0.0118 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= -0.155 (180deg=-0.159) USER MOD Single : A 62 ASN : amide:sc= -6.85! C(o=-6.9!,f=-8.3!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0547 USER MOD Single : A 70 THR OG1 : rot 47:sc= 0.0224 USER MOD Single : A 71 MET CE :methyl -147:sc= -1.37 (180deg=-4.58!) USER MOD Single : A 74 ASN : amide:sc= -2.54! C(o=-2.5!,f=-12!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 170:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -27.632 40.515 -16.526 1.00 0.00 N ATOM 2 CA GLY A -6 -27.144 39.157 -16.674 1.00 0.00 C ATOM 3 C GLY A -6 -26.144 38.780 -15.599 1.00 0.00 C ATOM 4 O GLY A -6 -25.430 39.637 -15.078 1.00 0.00 O ATOM 0 H1 GLY A -6 -28.646 40.496 -16.296 1.00 0.00 H new ATOM 0 H2 GLY A -6 -27.112 40.989 -15.760 1.00 0.00 H new ATOM 0 H3 GLY A -6 -27.488 41.034 -17.416 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -27.986 38.466 -16.641 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -26.679 39.046 -17.654 1.00 0.00 H new ATOM 8 N SER A -5 -26.094 37.495 -15.264 1.00 0.00 N ATOM 9 CA SER A -5 -25.178 37.007 -14.239 1.00 0.00 C ATOM 10 C SER A -5 -25.211 35.484 -14.162 1.00 0.00 C ATOM 11 O SER A -5 -26.085 34.840 -14.743 1.00 0.00 O ATOM 12 CB SER A -5 -25.536 37.606 -12.878 1.00 0.00 C ATOM 13 OG SER A -5 -26.638 36.931 -12.298 1.00 0.00 O ATOM 0 H SER A -5 -26.677 36.773 -15.687 1.00 0.00 H new ATOM 0 HA SER A -5 -24.169 37.318 -14.510 1.00 0.00 H new ATOM 0 HB2 SER A -5 -24.676 37.543 -12.212 1.00 0.00 H new ATOM 0 HB3 SER A -5 -25.773 38.664 -12.994 1.00 0.00 H new ATOM 0 HG SER A -5 -26.846 37.332 -11.428 1.00 0.00 H new ATOM 19 N SER A -4 -24.252 34.913 -13.439 1.00 0.00 N ATOM 20 CA SER A -4 -24.168 33.465 -13.287 1.00 0.00 C ATOM 21 C SER A -4 -23.167 33.090 -12.198 1.00 0.00 C ATOM 22 O SER A -4 -22.348 33.909 -11.784 1.00 0.00 O ATOM 23 CB SER A -4 -23.765 32.815 -14.612 1.00 0.00 C ATOM 24 OG SER A -4 -23.898 31.406 -14.550 1.00 0.00 O ATOM 0 H SER A -4 -23.523 35.431 -12.949 1.00 0.00 H new ATOM 0 HA SER A -4 -25.151 33.097 -12.994 1.00 0.00 H new ATOM 0 HB2 SER A -4 -24.387 33.207 -15.417 1.00 0.00 H new ATOM 0 HB3 SER A -4 -22.734 33.076 -14.850 1.00 0.00 H new ATOM 0 HG SER A -4 -23.636 31.015 -15.409 1.00 0.00 H new ATOM 30 N GLY A -3 -23.241 31.845 -11.739 1.00 0.00 N ATOM 31 CA GLY A -3 -22.337 31.382 -10.702 1.00 0.00 C ATOM 32 C GLY A -3 -22.539 29.917 -10.369 1.00 0.00 C ATOM 33 O GLY A -3 -23.672 29.450 -10.254 1.00 0.00 O ATOM 0 H GLY A -3 -23.910 31.149 -12.066 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -21.308 31.540 -11.024 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -22.484 31.980 -9.802 1.00 0.00 H new ATOM 37 N SER A -2 -21.438 29.189 -10.214 1.00 0.00 N ATOM 38 CA SER A -2 -21.499 27.767 -9.897 1.00 0.00 C ATOM 39 C SER A -2 -20.253 27.327 -9.135 1.00 0.00 C ATOM 40 O SER A -2 -19.272 28.064 -9.048 1.00 0.00 O ATOM 41 CB SER A -2 -21.645 26.944 -11.178 1.00 0.00 C ATOM 42 OG SER A -2 -22.914 27.149 -11.775 1.00 0.00 O ATOM 0 H SER A -2 -20.492 29.561 -10.303 1.00 0.00 H new ATOM 0 HA SER A -2 -22.370 27.597 -9.264 1.00 0.00 H new ATOM 0 HB2 SER A -2 -20.860 27.219 -11.882 1.00 0.00 H new ATOM 0 HB3 SER A -2 -21.513 25.886 -10.951 1.00 0.00 H new ATOM 0 HG SER A -2 -23.405 27.832 -11.273 1.00 0.00 H new ATOM 48 N SER A -1 -20.301 26.118 -8.584 1.00 0.00 N ATOM 49 CA SER A -1 -19.179 25.579 -7.825 1.00 0.00 C ATOM 50 C SER A -1 -19.393 24.100 -7.515 1.00 0.00 C ATOM 51 O SER A -1 -20.516 23.600 -7.563 1.00 0.00 O ATOM 52 CB SER A -1 -18.993 26.362 -6.524 1.00 0.00 C ATOM 53 OG SER A -1 -17.660 26.258 -6.052 1.00 0.00 O ATOM 0 H SER A -1 -21.105 25.494 -8.649 1.00 0.00 H new ATOM 0 HA SER A -1 -18.280 25.679 -8.433 1.00 0.00 H new ATOM 0 HB2 SER A -1 -19.243 27.410 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A -1 -19.681 25.984 -5.767 1.00 0.00 H new ATOM 0 HG SER A -1 -17.567 26.768 -5.221 1.00 0.00 H new ATOM 59 N GLY A 0 -18.305 23.405 -7.198 1.00 0.00 N ATOM 60 CA GLY A 0 -18.393 21.990 -6.885 1.00 0.00 C ATOM 61 C GLY A 0 -17.117 21.452 -6.268 1.00 0.00 C ATOM 62 O GLY A 0 -16.253 20.930 -6.971 1.00 0.00 O ATOM 0 H GLY A 0 -17.364 23.796 -7.152 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -19.223 21.824 -6.198 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -18.616 21.433 -7.795 1.00 0.00 H new ATOM 66 N MET A 1 -16.999 21.581 -4.951 1.00 0.00 N ATOM 67 CA MET A 1 -15.819 21.103 -4.240 1.00 0.00 C ATOM 68 C MET A 1 -16.216 20.305 -3.002 1.00 0.00 C ATOM 69 O MET A 1 -16.834 20.839 -2.081 1.00 0.00 O ATOM 70 CB MET A 1 -14.928 22.280 -3.838 1.00 0.00 C ATOM 71 CG MET A 1 -14.441 23.104 -5.019 1.00 0.00 C ATOM 72 SD MET A 1 -13.795 24.713 -4.524 1.00 0.00 S ATOM 73 CE MET A 1 -12.181 24.684 -5.300 1.00 0.00 C ATOM 0 H MET A 1 -17.705 22.012 -4.355 1.00 0.00 H new ATOM 0 HA MET A 1 -15.263 20.448 -4.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.480 22.927 -3.157 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.066 21.902 -3.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.664 22.551 -5.547 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.263 23.247 -5.721 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.657 25.615 -5.084 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.605 23.845 -4.910 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.298 24.575 -6.378 1.00 0.00 H new ATOM 83 N GLU A 2 -15.856 19.026 -2.987 1.00 0.00 N ATOM 84 CA GLU A 2 -16.177 18.155 -1.862 1.00 0.00 C ATOM 85 C GLU A 2 -15.000 17.243 -1.527 1.00 0.00 C ATOM 86 O GLU A 2 -14.294 16.772 -2.418 1.00 0.00 O ATOM 87 CB GLU A 2 -17.415 17.313 -2.177 1.00 0.00 C ATOM 88 CG GLU A 2 -17.164 16.221 -3.202 1.00 0.00 C ATOM 89 CD GLU A 2 -16.452 15.019 -2.612 1.00 0.00 C ATOM 90 OE1 GLU A 2 -16.705 14.699 -1.432 1.00 0.00 O ATOM 91 OE2 GLU A 2 -15.641 14.399 -3.332 1.00 0.00 O ATOM 0 H GLU A 2 -15.342 18.570 -3.741 1.00 0.00 H new ATOM 0 HA GLU A 2 -16.385 18.784 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.778 16.858 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -18.206 17.968 -2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -18.115 15.902 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -16.568 16.626 -4.020 1.00 0.00 H new ATOM 98 N GLU A 3 -14.795 17.001 -0.236 1.00 0.00 N ATOM 99 CA GLU A 3 -13.703 16.147 0.217 1.00 0.00 C ATOM 100 C GLU A 3 -14.241 14.879 0.873 1.00 0.00 C ATOM 101 O GLU A 3 -15.279 14.903 1.534 1.00 0.00 O ATOM 102 CB GLU A 3 -12.808 16.904 1.200 1.00 0.00 C ATOM 103 CG GLU A 3 -13.536 17.373 2.449 1.00 0.00 C ATOM 104 CD GLU A 3 -12.591 17.682 3.594 1.00 0.00 C ATOM 105 OE1 GLU A 3 -11.460 17.150 3.589 1.00 0.00 O ATOM 106 OE2 GLU A 3 -12.981 18.454 4.494 1.00 0.00 O ATOM 0 H GLU A 3 -15.370 17.384 0.514 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.113 15.862 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.979 16.260 1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.377 17.768 0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.118 18.264 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.242 16.605 2.763 1.00 0.00 H new ATOM 113 N GLU A 4 -13.526 13.774 0.686 1.00 0.00 N ATOM 114 CA GLU A 4 -13.932 12.496 1.259 1.00 0.00 C ATOM 115 C GLU A 4 -13.762 12.502 2.776 1.00 0.00 C ATOM 116 O GLU A 4 -12.767 13.006 3.299 1.00 0.00 O ATOM 117 CB GLU A 4 -13.116 11.355 0.647 1.00 0.00 C ATOM 118 CG GLU A 4 -13.752 9.987 0.829 1.00 0.00 C ATOM 119 CD GLU A 4 -14.931 9.764 -0.099 1.00 0.00 C ATOM 120 OE1 GLU A 4 -15.950 10.470 0.055 1.00 0.00 O ATOM 121 OE2 GLU A 4 -14.834 8.884 -0.979 1.00 0.00 O ATOM 0 H GLU A 4 -12.664 13.738 0.143 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.986 12.342 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.982 11.546 -0.418 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.123 11.348 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.003 9.216 0.651 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.082 9.878 1.862 1.00 0.00 H new ATOM 128 N LEU A 5 -14.739 11.937 3.477 1.00 0.00 N ATOM 129 CA LEU A 5 -14.699 11.876 4.934 1.00 0.00 C ATOM 130 C LEU A 5 -14.758 10.432 5.421 1.00 0.00 C ATOM 131 O LEU A 5 -14.997 9.513 4.637 1.00 0.00 O ATOM 132 CB LEU A 5 -15.859 12.676 5.529 1.00 0.00 C ATOM 133 CG LEU A 5 -15.809 14.189 5.318 1.00 0.00 C ATOM 134 CD1 LEU A 5 -17.077 14.844 5.845 1.00 0.00 C ATOM 135 CD2 LEU A 5 -14.581 14.782 5.993 1.00 0.00 C ATOM 0 H LEU A 5 -15.569 11.515 3.060 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.757 12.312 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -16.789 12.301 5.103 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.897 12.480 6.601 1.00 0.00 H new ATOM 0 HG LEU A 5 -15.741 14.385 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.023 15.921 5.686 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -17.941 14.442 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -17.176 14.639 6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.562 15.860 5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.618 14.575 7.063 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.682 14.336 5.569 1.00 0.00 H new ATOM 147 N GLN A 6 -14.543 10.241 6.718 1.00 0.00 N ATOM 148 CA GLN A 6 -14.574 8.908 7.309 1.00 0.00 C ATOM 149 C GLN A 6 -15.967 8.296 7.199 1.00 0.00 C ATOM 150 O GLN A 6 -16.916 8.960 6.782 1.00 0.00 O ATOM 151 CB GLN A 6 -14.144 8.967 8.775 1.00 0.00 C ATOM 152 CG GLN A 6 -15.029 9.857 9.633 1.00 0.00 C ATOM 153 CD GLN A 6 -14.361 10.266 10.932 1.00 0.00 C ATOM 154 OE1 GLN A 6 -13.672 9.467 11.568 1.00 0.00 O ATOM 155 NE2 GLN A 6 -14.562 11.515 11.333 1.00 0.00 N ATOM 0 H GLN A 6 -14.346 10.992 7.380 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.876 8.278 6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.149 7.958 9.187 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.117 9.329 8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.295 10.751 9.069 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.958 9.332 9.856 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.140 12.143 10.775 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.138 11.847 12.199 1.00 0.00 H new ATOM 164 N HIS A 7 -16.081 7.027 7.575 1.00 0.00 N ATOM 165 CA HIS A 7 -17.359 6.325 7.519 1.00 0.00 C ATOM 166 C HIS A 7 -17.754 5.805 8.898 1.00 0.00 C ATOM 167 O HIS A 7 -17.039 5.002 9.498 1.00 0.00 O ATOM 168 CB HIS A 7 -17.285 5.165 6.526 1.00 0.00 C ATOM 169 CG HIS A 7 -17.218 5.605 5.096 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.378 5.024 4.169 1.00 0.00 N ATOM 171 CD2 HIS A 7 -17.893 6.574 4.435 1.00 0.00 C ATOM 172 CE1 HIS A 7 -16.539 5.618 3.000 1.00 0.00 C ATOM 173 NE2 HIS A 7 -17.453 6.561 3.134 1.00 0.00 N ATOM 0 H HIS A 7 -15.305 6.463 7.922 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.119 7.031 7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.408 4.559 6.753 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.158 4.526 6.661 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.639 7.234 4.853 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.012 5.374 2.089 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.780 7.180 2.392 1.00 0.00 H new ATOM 181 N SER A 8 -18.896 6.270 9.396 1.00 0.00 N ATOM 182 CA SER A 8 -19.384 5.855 10.706 1.00 0.00 C ATOM 183 C SER A 8 -19.247 4.346 10.884 1.00 0.00 C ATOM 184 O SER A 8 -18.977 3.861 11.983 1.00 0.00 O ATOM 185 CB SER A 8 -20.845 6.270 10.884 1.00 0.00 C ATOM 186 OG SER A 8 -21.171 6.411 12.256 1.00 0.00 O ATOM 0 H SER A 8 -19.500 6.934 8.912 1.00 0.00 H new ATOM 0 HA SER A 8 -18.778 6.349 11.465 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.025 7.212 10.366 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.496 5.525 10.427 1.00 0.00 H new ATOM 0 HG SER A 8 -22.110 6.678 12.343 1.00 0.00 H new ATOM 192 N HIS A 9 -19.435 3.608 9.794 1.00 0.00 N ATOM 193 CA HIS A 9 -19.332 2.154 9.829 1.00 0.00 C ATOM 194 C HIS A 9 -17.872 1.712 9.817 1.00 0.00 C ATOM 195 O HIS A 9 -17.358 1.205 10.815 1.00 0.00 O ATOM 196 CB HIS A 9 -20.072 1.541 8.639 1.00 0.00 C ATOM 197 CG HIS A 9 -19.716 0.108 8.386 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.388 -0.948 8.964 1.00 0.00 N ATOM 199 CD2 HIS A 9 -18.753 -0.441 7.610 1.00 0.00 C ATOM 200 CE1 HIS A 9 -19.853 -2.084 8.556 1.00 0.00 C ATOM 201 NE2 HIS A 9 -18.858 -1.804 7.733 1.00 0.00 N ATOM 0 H HIS A 9 -19.659 3.993 8.877 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.792 1.804 10.753 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.146 1.615 8.812 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.852 2.125 7.745 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -21.176 -0.865 9.607 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.035 0.094 7.006 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.174 -3.074 8.846 1.00 0.00 H new ATOM 209 N CYS A 10 -17.209 1.906 8.682 1.00 0.00 N ATOM 210 CA CYS A 10 -15.809 1.527 8.539 1.00 0.00 C ATOM 211 C CYS A 10 -15.013 1.906 9.785 1.00 0.00 C ATOM 212 O CYS A 10 -14.339 1.068 10.384 1.00 0.00 O ATOM 213 CB CYS A 10 -15.200 2.199 7.307 1.00 0.00 C ATOM 214 SG CYS A 10 -16.146 1.936 5.773 1.00 0.00 S ATOM 0 H CYS A 10 -17.620 2.324 7.847 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.762 0.445 8.414 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.120 3.270 7.493 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.187 1.824 7.165 1.00 0.00 H new ATOM 219 N VAL A 11 -15.096 3.176 10.169 1.00 0.00 N ATOM 220 CA VAL A 11 -14.385 3.667 11.344 1.00 0.00 C ATOM 221 C VAL A 11 -14.472 2.671 12.495 1.00 0.00 C ATOM 222 O VAL A 11 -13.511 2.481 13.238 1.00 0.00 O ATOM 223 CB VAL A 11 -14.942 5.025 11.810 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.647 6.105 10.781 1.00 0.00 C ATOM 225 CG2 VAL A 11 -16.437 4.924 12.075 1.00 0.00 C ATOM 0 H VAL A 11 -15.648 3.883 9.684 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.342 3.791 11.054 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.448 5.300 12.742 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.048 7.057 11.128 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.569 6.193 10.645 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.112 5.840 9.832 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.815 5.892 12.403 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.949 4.626 11.160 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.620 4.181 12.851 1.00 0.00 H new ATOM 235 N ASN A 12 -15.633 2.039 12.636 1.00 0.00 N ATOM 236 CA ASN A 12 -15.847 1.062 13.698 1.00 0.00 C ATOM 237 C ASN A 12 -15.992 -0.344 13.122 1.00 0.00 C ATOM 238 O ASN A 12 -16.819 -1.132 13.581 1.00 0.00 O ATOM 239 CB ASN A 12 -17.092 1.424 14.509 1.00 0.00 C ATOM 240 CG ASN A 12 -16.957 2.764 15.208 1.00 0.00 C ATOM 241 OD1 ASN A 12 -17.760 3.672 14.993 1.00 0.00 O ATOM 242 ND2 ASN A 12 -15.938 2.892 16.049 1.00 0.00 N ATOM 0 H ASN A 12 -16.439 2.186 12.029 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.977 1.079 14.354 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.959 1.448 13.848 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -17.278 0.647 15.251 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -15.796 3.770 16.548 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -15.297 2.112 16.196 1.00 0.00 H new ATOM 249 N CYS A 13 -15.182 -0.651 12.115 1.00 0.00 N ATOM 250 CA CYS A 13 -15.219 -1.961 11.476 1.00 0.00 C ATOM 251 C CYS A 13 -13.812 -2.534 11.327 1.00 0.00 C ATOM 252 O CYS A 13 -12.962 -1.953 10.652 1.00 0.00 O ATOM 253 CB CYS A 13 -15.890 -1.864 10.104 1.00 0.00 C ATOM 254 SG CYS A 13 -16.101 -3.466 9.264 1.00 0.00 S ATOM 0 H CYS A 13 -14.492 -0.010 11.724 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.800 -2.631 12.111 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.867 -1.396 10.222 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.297 -1.207 9.467 1.00 0.00 H new ATOM 259 N VAL A 14 -13.575 -3.677 11.962 1.00 0.00 N ATOM 260 CA VAL A 14 -12.272 -4.330 11.900 1.00 0.00 C ATOM 261 C VAL A 14 -12.372 -5.692 11.221 1.00 0.00 C ATOM 262 O VAL A 14 -11.359 -6.322 10.919 1.00 0.00 O ATOM 263 CB VAL A 14 -11.668 -4.511 13.305 1.00 0.00 C ATOM 264 CG1 VAL A 14 -11.288 -3.164 13.901 1.00 0.00 C ATOM 265 CG2 VAL A 14 -12.640 -5.250 14.211 1.00 0.00 C ATOM 0 H VAL A 14 -14.268 -4.170 12.525 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.620 -3.682 11.314 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.762 -5.110 13.218 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.863 -3.312 14.894 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.553 -2.677 13.260 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.176 -2.536 13.976 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.197 -5.369 15.200 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.565 -4.680 14.294 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.856 -6.232 13.789 1.00 0.00 H new ATOM 275 N SER A 15 -13.601 -6.140 10.984 1.00 0.00 N ATOM 276 CA SER A 15 -13.834 -7.429 10.344 1.00 0.00 C ATOM 277 C SER A 15 -13.453 -7.380 8.868 1.00 0.00 C ATOM 278 O SER A 15 -13.963 -6.554 8.111 1.00 0.00 O ATOM 279 CB SER A 15 -15.301 -7.838 10.491 1.00 0.00 C ATOM 280 OG SER A 15 -15.679 -7.900 11.855 1.00 0.00 O ATOM 0 H SER A 15 -14.450 -5.629 11.226 1.00 0.00 H new ATOM 0 HA SER A 15 -13.206 -8.171 10.838 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.935 -7.123 9.967 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.460 -8.809 10.022 1.00 0.00 H new ATOM 0 HG SER A 15 -16.621 -8.162 11.922 1.00 0.00 H new ATOM 286 N ARG A 16 -12.552 -8.270 8.465 1.00 0.00 N ATOM 287 CA ARG A 16 -12.101 -8.328 7.080 1.00 0.00 C ATOM 288 C ARG A 16 -13.199 -8.875 6.173 1.00 0.00 C ATOM 289 O ARG A 16 -13.414 -8.373 5.070 1.00 0.00 O ATOM 290 CB ARG A 16 -10.848 -9.199 6.965 1.00 0.00 C ATOM 291 CG ARG A 16 -11.053 -10.626 7.447 1.00 0.00 C ATOM 292 CD ARG A 16 -9.729 -11.297 7.777 1.00 0.00 C ATOM 293 NE ARG A 16 -9.161 -11.986 6.620 1.00 0.00 N ATOM 294 CZ ARG A 16 -9.538 -13.198 6.229 1.00 0.00 C ATOM 295 NH1 ARG A 16 -10.478 -13.852 6.898 1.00 0.00 N ATOM 296 NH2 ARG A 16 -8.975 -13.758 5.166 1.00 0.00 N ATOM 0 H ARG A 16 -12.120 -8.961 9.078 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.861 -7.314 6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.524 -9.219 5.925 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.044 -8.742 7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.692 -10.625 8.330 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.572 -11.200 6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.023 -10.548 8.136 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.876 -12.011 8.588 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.436 -11.510 6.084 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.914 -13.424 7.715 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.765 -14.783 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.252 -13.258 4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -9.265 -14.689 4.866 1.00 0.00 H new ATOM 310 N ARG A 17 -13.890 -9.907 6.646 1.00 0.00 N ATOM 311 CA ARG A 17 -14.964 -10.524 5.877 1.00 0.00 C ATOM 312 C ARG A 17 -16.272 -9.760 6.061 1.00 0.00 C ATOM 313 O ARG A 17 -17.355 -10.345 6.029 1.00 0.00 O ATOM 314 CB ARG A 17 -15.150 -11.983 6.299 1.00 0.00 C ATOM 315 CG ARG A 17 -14.002 -12.888 5.882 1.00 0.00 C ATOM 316 CD ARG A 17 -14.042 -13.189 4.392 1.00 0.00 C ATOM 317 NE ARG A 17 -13.541 -12.073 3.595 1.00 0.00 N ATOM 318 CZ ARG A 17 -13.611 -12.027 2.269 1.00 0.00 C ATOM 319 NH1 ARG A 17 -14.159 -13.029 1.596 1.00 0.00 N ATOM 320 NH2 ARG A 17 -13.133 -10.977 1.614 1.00 0.00 N ATOM 0 H ARG A 17 -13.725 -10.333 7.558 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.688 -10.490 4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.262 -12.028 7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.076 -12.362 5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.053 -12.413 6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.050 -13.821 6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.446 -14.078 4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -15.066 -13.416 4.095 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.114 -11.286 4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.528 -13.838 2.096 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.212 -12.991 0.578 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.711 -10.204 2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.187 -10.943 0.596 1.00 0.00 H new ATOM 334 N CYS A 18 -16.163 -8.450 6.254 1.00 0.00 N ATOM 335 CA CYS A 18 -17.336 -7.604 6.444 1.00 0.00 C ATOM 336 C CYS A 18 -18.196 -7.576 5.184 1.00 0.00 C ATOM 337 O CYS A 18 -17.704 -7.300 4.090 1.00 0.00 O ATOM 338 CB CYS A 18 -16.911 -6.183 6.816 1.00 0.00 C ATOM 339 SG CYS A 18 -18.087 -4.894 6.292 1.00 0.00 S ATOM 0 H CYS A 18 -15.274 -7.951 6.283 1.00 0.00 H new ATOM 0 HA CYS A 18 -17.928 -8.024 7.258 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.783 -6.125 7.897 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.939 -5.977 6.368 1.00 0.00 H new ATOM 344 N MET A 19 -19.483 -7.865 5.347 1.00 0.00 N ATOM 345 CA MET A 19 -20.413 -7.871 4.223 1.00 0.00 C ATOM 346 C MET A 19 -21.588 -6.934 4.484 1.00 0.00 C ATOM 347 O MET A 19 -22.747 -7.347 4.436 1.00 0.00 O ATOM 348 CB MET A 19 -20.924 -9.290 3.964 1.00 0.00 C ATOM 349 CG MET A 19 -19.986 -10.127 3.109 1.00 0.00 C ATOM 350 SD MET A 19 -20.397 -11.882 3.142 1.00 0.00 S ATOM 351 CE MET A 19 -18.767 -12.609 3.286 1.00 0.00 C ATOM 0 H MET A 19 -19.906 -8.098 6.246 1.00 0.00 H new ATOM 0 HA MET A 19 -19.880 -7.518 3.340 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.077 -9.792 4.919 1.00 0.00 H new ATOM 0 HB3 MET A 19 -21.896 -9.234 3.474 1.00 0.00 H new ATOM 0 HG2 MET A 19 -20.021 -9.769 2.080 1.00 0.00 H new ATOM 0 HG3 MET A 19 -18.963 -9.991 3.459 1.00 0.00 H new ATOM 0 HE1 MET A 19 -18.855 -13.695 3.318 1.00 0.00 H new ATOM 0 HE2 MET A 19 -18.162 -12.319 2.427 1.00 0.00 H new ATOM 0 HE3 MET A 19 -18.291 -12.256 4.201 1.00 0.00 H new ATOM 361 N THR A 20 -21.282 -5.671 4.761 1.00 0.00 N ATOM 362 CA THR A 20 -22.313 -4.677 5.032 1.00 0.00 C ATOM 363 C THR A 20 -22.573 -3.807 3.807 1.00 0.00 C ATOM 364 O THR A 20 -21.640 -3.296 3.187 1.00 0.00 O ATOM 365 CB THR A 20 -21.924 -3.772 6.216 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.785 -4.555 7.406 1.00 0.00 O ATOM 367 CG2 THR A 20 -22.969 -2.688 6.435 1.00 0.00 C ATOM 0 H THR A 20 -20.328 -5.312 4.804 1.00 0.00 H new ATOM 0 HA THR A 20 -23.221 -5.225 5.286 1.00 0.00 H new ATOM 0 HB THR A 20 -20.972 -3.295 5.982 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.855 -3.972 8.191 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.673 -2.061 7.276 1.00 0.00 H new ATOM 0 HG22 THR A 20 -23.051 -2.075 5.537 1.00 0.00 H new ATOM 0 HG23 THR A 20 -23.933 -3.150 6.649 1.00 0.00 H new ATOM 375 N ARG A 21 -23.846 -3.643 3.463 1.00 0.00 N ATOM 376 CA ARG A 21 -24.229 -2.836 2.311 1.00 0.00 C ATOM 377 C ARG A 21 -23.530 -1.480 2.342 1.00 0.00 C ATOM 378 O ARG A 21 -23.688 -0.694 3.277 1.00 0.00 O ATOM 379 CB ARG A 21 -25.746 -2.640 2.279 1.00 0.00 C ATOM 380 CG ARG A 21 -26.278 -2.225 0.917 1.00 0.00 C ATOM 381 CD ARG A 21 -27.774 -2.474 0.804 1.00 0.00 C ATOM 382 NE ARG A 21 -28.540 -1.631 1.718 1.00 0.00 N ATOM 383 CZ ARG A 21 -29.802 -1.871 2.056 1.00 0.00 C ATOM 384 NH1 ARG A 21 -30.436 -2.924 1.559 1.00 0.00 N ATOM 385 NH2 ARG A 21 -30.432 -1.057 2.894 1.00 0.00 N ATOM 0 H ARG A 21 -24.630 -4.059 3.966 1.00 0.00 H new ATOM 0 HA ARG A 21 -23.920 -3.365 1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.230 -3.569 2.581 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -26.022 -1.883 3.013 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -26.070 -1.168 0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -25.756 -2.779 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -28.097 -2.285 -0.220 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -27.984 -3.522 1.016 1.00 0.00 H new ATOM 0 HE ARG A 21 -28.081 -0.813 2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -29.955 -3.552 0.915 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -31.405 -3.106 1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -29.947 -0.246 3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -31.401 -1.242 3.153 1.00 0.00 H new ATOM 399 N PRO A 22 -22.740 -1.197 1.296 1.00 0.00 N ATOM 400 CA PRO A 22 -22.001 0.064 1.180 1.00 0.00 C ATOM 401 C PRO A 22 -22.922 1.254 0.930 1.00 0.00 C ATOM 402 O PRO A 22 -23.564 1.344 -0.115 1.00 0.00 O ATOM 403 CB PRO A 22 -21.089 -0.168 -0.027 1.00 0.00 C ATOM 404 CG PRO A 22 -21.791 -1.202 -0.839 1.00 0.00 C ATOM 405 CD PRO A 22 -22.506 -2.086 0.146 1.00 0.00 C ATOM 0 HA PRO A 22 -21.464 0.307 2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.944 0.750 -0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.102 -0.511 0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.494 -0.742 -1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.083 -1.776 -1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.441 -2.469 -0.263 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -21.902 -2.950 0.423 1.00 0.00 H new ATOM 413 N GLU A 23 -22.980 2.164 1.897 1.00 0.00 N ATOM 414 CA GLU A 23 -23.823 3.349 1.781 1.00 0.00 C ATOM 415 C GLU A 23 -22.991 4.575 1.420 1.00 0.00 C ATOM 416 O GLU A 23 -21.768 4.593 1.566 1.00 0.00 O ATOM 417 CB GLU A 23 -24.576 3.597 3.090 1.00 0.00 C ATOM 418 CG GLU A 23 -25.953 2.957 3.131 1.00 0.00 C ATOM 419 CD GLU A 23 -26.711 3.120 1.828 1.00 0.00 C ATOM 420 OE1 GLU A 23 -26.536 2.270 0.930 1.00 0.00 O ATOM 421 OE2 GLU A 23 -27.478 4.098 1.705 1.00 0.00 O ATOM 0 H GLU A 23 -22.454 2.104 2.769 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.545 3.173 0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -23.982 3.214 3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.679 4.671 3.242 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -25.850 1.896 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.532 3.400 3.941 1.00 0.00 H new ATOM 428 N PRO A 24 -23.668 5.628 0.936 1.00 0.00 N ATOM 429 CA PRO A 24 -23.012 6.878 0.544 1.00 0.00 C ATOM 430 C PRO A 24 -22.474 7.652 1.742 1.00 0.00 C ATOM 431 O PRO A 24 -22.026 8.790 1.609 1.00 0.00 O ATOM 432 CB PRO A 24 -24.132 7.666 -0.142 1.00 0.00 C ATOM 433 CG PRO A 24 -25.389 7.130 0.450 1.00 0.00 C ATOM 434 CD PRO A 24 -25.126 5.677 0.736 1.00 0.00 C ATOM 0 HA PRO A 24 -22.145 6.701 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -24.033 8.736 0.041 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -24.111 7.524 -1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.650 7.666 1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -26.226 7.247 -0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.665 5.338 1.621 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -25.440 5.041 -0.092 1.00 0.00 H new ATOM 442 N GLY A 25 -22.520 7.025 2.915 1.00 0.00 N ATOM 443 CA GLY A 25 -22.034 7.670 4.120 1.00 0.00 C ATOM 444 C GLY A 25 -21.707 6.677 5.218 1.00 0.00 C ATOM 445 O GLY A 25 -20.572 6.616 5.691 1.00 0.00 O ATOM 0 H GLY A 25 -22.885 6.082 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.143 8.251 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.786 8.372 4.481 1.00 0.00 H new ATOM 449 N ILE A 26 -22.704 5.899 5.625 1.00 0.00 N ATOM 450 CA ILE A 26 -22.517 4.905 6.674 1.00 0.00 C ATOM 451 C ILE A 26 -21.274 4.061 6.416 1.00 0.00 C ATOM 452 O ILE A 26 -20.263 4.199 7.105 1.00 0.00 O ATOM 453 CB ILE A 26 -23.739 3.975 6.793 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.907 4.713 7.450 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.380 2.727 7.586 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.396 5.902 6.653 1.00 0.00 C ATOM 0 H ILE A 26 -23.649 5.938 5.244 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.395 5.452 7.609 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.044 3.670 5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.733 4.016 7.591 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.602 5.051 8.440 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.254 2.080 7.661 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.576 2.193 7.080 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -23.053 3.013 8.586 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.225 6.377 7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.584 6.619 6.534 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.733 5.568 5.671 1.00 0.00 H new ATOM 468 N SER A 27 -21.355 3.187 5.418 1.00 0.00 N ATOM 469 CA SER A 27 -20.236 2.319 5.069 1.00 0.00 C ATOM 470 C SER A 27 -19.972 2.349 3.567 1.00 0.00 C ATOM 471 O SER A 27 -20.809 2.805 2.787 1.00 0.00 O ATOM 472 CB SER A 27 -20.517 0.884 5.520 1.00 0.00 C ATOM 473 OG SER A 27 -21.402 0.232 4.626 1.00 0.00 O ATOM 0 H SER A 27 -22.184 3.061 4.837 1.00 0.00 H new ATOM 0 HA SER A 27 -19.348 2.688 5.583 1.00 0.00 H new ATOM 0 HB2 SER A 27 -19.581 0.329 5.580 1.00 0.00 H new ATOM 0 HB3 SER A 27 -20.947 0.892 6.521 1.00 0.00 H new ATOM 0 HG SER A 27 -21.440 -0.723 4.842 1.00 0.00 H new ATOM 479 N CYS A 28 -18.803 1.860 3.168 1.00 0.00 N ATOM 480 CA CYS A 28 -18.426 1.831 1.760 1.00 0.00 C ATOM 481 C CYS A 28 -18.059 0.415 1.325 1.00 0.00 C ATOM 482 O CYS A 28 -18.022 -0.507 2.141 1.00 0.00 O ATOM 483 CB CYS A 28 -17.250 2.776 1.505 1.00 0.00 C ATOM 484 SG CYS A 28 -15.661 2.181 2.168 1.00 0.00 S ATOM 0 H CYS A 28 -18.100 1.478 3.800 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.283 2.162 1.173 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.148 2.931 0.431 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.475 3.747 1.947 1.00 0.00 H new ATOM 489 N ASP A 29 -17.787 0.250 0.035 1.00 0.00 N ATOM 490 CA ASP A 29 -17.421 -1.052 -0.509 1.00 0.00 C ATOM 491 C ASP A 29 -16.066 -1.504 0.026 1.00 0.00 C ATOM 492 O ASP A 29 -15.253 -0.685 0.457 1.00 0.00 O ATOM 493 CB ASP A 29 -17.388 -0.999 -2.038 1.00 0.00 C ATOM 494 CG ASP A 29 -18.466 -0.099 -2.609 1.00 0.00 C ATOM 495 OD1 ASP A 29 -19.659 -0.441 -2.470 1.00 0.00 O ATOM 496 OD2 ASP A 29 -18.117 0.946 -3.197 1.00 0.00 O ATOM 0 H ASP A 29 -17.813 1.002 -0.653 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.174 -1.774 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.411 -0.644 -2.365 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.511 -2.006 -2.436 1.00 0.00 H new ATOM 501 N LEU A 30 -15.830 -2.810 -0.003 1.00 0.00 N ATOM 502 CA LEU A 30 -14.573 -3.372 0.480 1.00 0.00 C ATOM 503 C LEU A 30 -13.666 -3.758 -0.684 1.00 0.00 C ATOM 504 O LEU A 30 -14.141 -4.086 -1.771 1.00 0.00 O ATOM 505 CB LEU A 30 -14.842 -4.594 1.359 1.00 0.00 C ATOM 506 CG LEU A 30 -15.040 -4.318 2.850 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.900 -5.401 3.484 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.696 -4.219 3.557 1.00 0.00 C ATOM 0 H LEU A 30 -16.492 -3.501 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.067 -2.610 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.731 -5.099 0.982 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.009 -5.288 1.246 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.556 -3.364 2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.030 -5.188 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.875 -5.424 2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.412 -6.369 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.856 -4.022 4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.153 -5.157 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.115 -3.407 3.121 1.00 0.00 H new ATOM 520 N ILE A 31 -12.359 -3.718 -0.447 1.00 0.00 N ATOM 521 CA ILE A 31 -11.386 -4.067 -1.474 1.00 0.00 C ATOM 522 C ILE A 31 -10.155 -4.728 -0.864 1.00 0.00 C ATOM 523 O ILE A 31 -9.665 -4.306 0.183 1.00 0.00 O ATOM 524 CB ILE A 31 -10.945 -2.828 -2.276 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.331 -1.782 -1.343 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.125 -2.241 -3.036 1.00 0.00 C ATOM 527 CD1 ILE A 31 -8.838 -1.938 -1.159 1.00 0.00 C ATOM 0 H ILE A 31 -11.950 -3.447 0.447 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.877 -4.770 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.188 -3.132 -2.999 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.538 -0.788 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.817 -1.845 -0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.797 -1.366 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.521 -2.987 -3.725 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.903 -1.949 -2.331 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.471 -1.163 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.624 -2.919 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.341 -1.845 -2.124 1.00 0.00 H new ATOM 539 N GLY A 32 -9.658 -5.768 -1.527 1.00 0.00 N ATOM 540 CA GLY A 32 -8.487 -6.470 -1.035 1.00 0.00 C ATOM 541 C GLY A 32 -7.198 -5.731 -1.337 1.00 0.00 C ATOM 542 O GLY A 32 -7.036 -5.168 -2.420 1.00 0.00 O ATOM 0 H GLY A 32 -10.045 -6.137 -2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.578 -6.611 0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.447 -7.462 -1.484 1.00 0.00 H new ATOM 546 N CYS A 33 -6.279 -5.731 -0.377 1.00 0.00 N ATOM 547 CA CYS A 33 -4.999 -5.053 -0.544 1.00 0.00 C ATOM 548 C CYS A 33 -4.419 -5.319 -1.930 1.00 0.00 C ATOM 549 O CYS A 33 -4.389 -6.453 -2.411 1.00 0.00 O ATOM 550 CB CYS A 33 -4.012 -5.513 0.531 1.00 0.00 C ATOM 551 SG CYS A 33 -2.639 -4.352 0.824 1.00 0.00 S ATOM 0 H CYS A 33 -6.397 -6.193 0.525 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.167 -3.981 -0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.553 -5.663 1.465 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.601 -6.480 0.242 1.00 0.00 H new ATOM 556 N PRO A 34 -3.947 -4.251 -2.589 1.00 0.00 N ATOM 557 CA PRO A 34 -3.358 -4.343 -3.928 1.00 0.00 C ATOM 558 C PRO A 34 -2.011 -5.057 -3.922 1.00 0.00 C ATOM 559 O PRO A 34 -1.412 -5.286 -4.974 1.00 0.00 O ATOM 560 CB PRO A 34 -3.185 -2.879 -4.341 1.00 0.00 C ATOM 561 CG PRO A 34 -3.080 -2.133 -3.056 1.00 0.00 C ATOM 562 CD PRO A 34 -3.950 -2.870 -2.076 1.00 0.00 C ATOM 0 HA PRO A 34 -3.983 -4.922 -4.608 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.293 -2.743 -4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.032 -2.532 -4.932 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.047 -2.096 -2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.413 -1.102 -3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.550 -2.816 -1.064 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.958 -2.456 -2.043 1.00 0.00 H new ATOM 570 N LEU A 35 -1.539 -5.408 -2.731 1.00 0.00 N ATOM 571 CA LEU A 35 -0.261 -6.098 -2.587 1.00 0.00 C ATOM 572 C LEU A 35 -0.471 -7.555 -2.189 1.00 0.00 C ATOM 573 O LEU A 35 0.458 -8.226 -1.737 1.00 0.00 O ATOM 574 CB LEU A 35 0.608 -5.392 -1.545 1.00 0.00 C ATOM 575 CG LEU A 35 0.993 -3.946 -1.860 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.196 -3.155 -0.577 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.249 -3.904 -2.718 1.00 0.00 C ATOM 0 H LEU A 35 -2.022 -5.226 -1.851 1.00 0.00 H new ATOM 0 HA LEU A 35 0.248 -6.074 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.081 -5.407 -0.591 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.523 -5.970 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 35 0.178 -3.487 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.469 -2.129 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.272 -3.156 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.992 -3.612 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.509 -2.867 -2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.071 -4.381 -2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.069 -4.434 -3.653 1.00 0.00 H new ATOM 589 N VAL A 36 -1.696 -8.040 -2.360 1.00 0.00 N ATOM 590 CA VAL A 36 -2.027 -9.419 -2.021 1.00 0.00 C ATOM 591 C VAL A 36 -1.463 -9.801 -0.658 1.00 0.00 C ATOM 592 O VAL A 36 -1.094 -10.953 -0.427 1.00 0.00 O ATOM 593 CB VAL A 36 -1.492 -10.401 -3.080 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.980 -10.010 -4.467 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.028 -10.454 -3.037 1.00 0.00 C ATOM 0 H VAL A 36 -2.476 -7.498 -2.732 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.115 -9.485 -1.992 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.875 -11.396 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.592 -10.715 -5.202 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.070 -10.028 -4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.629 -9.006 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.389 -11.153 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.432 -9.462 -3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.353 -10.785 -2.051 1.00 0.00 H new ATOM 605 N CYS A 37 -1.398 -8.826 0.243 1.00 0.00 N ATOM 606 CA CYS A 37 -0.878 -9.059 1.585 1.00 0.00 C ATOM 607 C CYS A 37 -1.737 -10.074 2.333 1.00 0.00 C ATOM 608 O CYS A 37 -1.251 -10.792 3.206 1.00 0.00 O ATOM 609 CB CYS A 37 -0.823 -7.746 2.368 1.00 0.00 C ATOM 610 SG CYS A 37 -2.412 -7.257 3.113 1.00 0.00 S ATOM 0 H CYS A 37 -1.699 -7.867 0.068 1.00 0.00 H new ATOM 0 HA CYS A 37 0.131 -9.462 1.492 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.077 -7.837 3.157 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.487 -6.952 1.701 1.00 0.00 H new ATOM 615 N GLY A 38 -3.019 -10.128 1.984 1.00 0.00 N ATOM 616 CA GLY A 38 -3.926 -11.057 2.631 1.00 0.00 C ATOM 617 C GLY A 38 -4.777 -10.392 3.695 1.00 0.00 C ATOM 618 O GLY A 38 -4.909 -10.906 4.805 1.00 0.00 O ATOM 0 H GLY A 38 -3.445 -9.544 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.575 -11.508 1.881 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.351 -11.866 3.083 1.00 0.00 H new ATOM 622 N ALA A 39 -5.354 -9.244 3.356 1.00 0.00 N ATOM 623 CA ALA A 39 -6.197 -8.507 4.290 1.00 0.00 C ATOM 624 C ALA A 39 -7.271 -7.715 3.553 1.00 0.00 C ATOM 625 O ALA A 39 -6.974 -6.961 2.626 1.00 0.00 O ATOM 626 CB ALA A 39 -5.348 -7.580 5.147 1.00 0.00 C ATOM 0 H ALA A 39 -5.253 -8.804 2.441 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.696 -9.228 4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.990 -7.036 5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.622 -8.167 5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.823 -6.872 4.506 1.00 0.00 H new ATOM 632 N VAL A 40 -8.521 -7.890 3.971 1.00 0.00 N ATOM 633 CA VAL A 40 -9.639 -7.191 3.350 1.00 0.00 C ATOM 634 C VAL A 40 -10.102 -6.021 4.212 1.00 0.00 C ATOM 635 O VAL A 40 -10.556 -6.208 5.340 1.00 0.00 O ATOM 636 CB VAL A 40 -10.829 -8.138 3.109 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.953 -7.411 2.386 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.384 -9.363 2.324 1.00 0.00 C ATOM 0 H VAL A 40 -8.784 -8.510 4.737 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.284 -6.815 2.391 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.207 -8.471 4.076 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.785 -8.096 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.289 -6.568 2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.591 -7.047 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.237 -10.022 2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.979 -9.051 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.616 -9.895 2.885 1.00 0.00 H new ATOM 648 N PHE A 41 -9.983 -4.812 3.671 1.00 0.00 N ATOM 649 CA PHE A 41 -10.389 -3.610 4.390 1.00 0.00 C ATOM 650 C PHE A 41 -11.218 -2.694 3.495 1.00 0.00 C ATOM 651 O PHE A 41 -11.305 -2.904 2.284 1.00 0.00 O ATOM 652 CB PHE A 41 -9.160 -2.860 4.907 1.00 0.00 C ATOM 653 CG PHE A 41 -7.961 -2.985 4.011 1.00 0.00 C ATOM 654 CD1 PHE A 41 -7.171 -4.123 4.042 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.623 -1.963 3.138 1.00 0.00 C ATOM 656 CE1 PHE A 41 -6.067 -4.241 3.218 1.00 0.00 C ATOM 657 CE2 PHE A 41 -6.521 -2.076 2.311 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.742 -3.216 2.353 1.00 0.00 C ATOM 0 H PHE A 41 -9.609 -4.639 2.738 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.004 -3.914 5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.410 -1.805 5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.904 -3.237 5.897 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.421 -4.927 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.227 -1.068 3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.460 -5.134 3.251 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.269 -1.274 1.633 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.879 -3.305 1.709 1.00 0.00 H new ATOM 668 N HIS A 42 -11.826 -1.678 4.099 1.00 0.00 N ATOM 669 CA HIS A 42 -12.649 -0.729 3.357 1.00 0.00 C ATOM 670 C HIS A 42 -11.783 0.174 2.485 1.00 0.00 C ATOM 671 O HIS A 42 -10.828 0.786 2.964 1.00 0.00 O ATOM 672 CB HIS A 42 -13.482 0.117 4.320 1.00 0.00 C ATOM 673 CG HIS A 42 -14.690 -0.591 4.849 1.00 0.00 C ATOM 674 ND1 HIS A 42 -15.896 -0.625 4.180 1.00 0.00 N ATOM 675 CD2 HIS A 42 -14.874 -1.298 5.989 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.769 -1.320 4.887 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.174 -1.740 5.989 1.00 0.00 N ATOM 0 H HIS A 42 -11.764 -1.491 5.100 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.319 -1.294 2.710 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.855 0.423 5.157 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.799 1.027 3.810 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.084 -0.183 3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.136 -1.480 6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.795 -1.512 4.611 1.00 0.00 H new ATOM 685 N SER A 43 -12.122 0.253 1.202 1.00 0.00 N ATOM 686 CA SER A 43 -11.373 1.078 0.262 1.00 0.00 C ATOM 687 C SER A 43 -10.861 2.345 0.940 1.00 0.00 C ATOM 688 O SER A 43 -9.777 2.838 0.624 1.00 0.00 O ATOM 689 CB SER A 43 -12.249 1.445 -0.937 1.00 0.00 C ATOM 690 OG SER A 43 -13.145 2.494 -0.612 1.00 0.00 O ATOM 0 H SER A 43 -12.911 -0.245 0.790 1.00 0.00 H new ATOM 0 HA SER A 43 -10.516 0.502 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.618 1.747 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.811 0.570 -1.262 1.00 0.00 H new ATOM 0 HG SER A 43 -13.693 2.711 -1.395 1.00 0.00 H new ATOM 696 N CYS A 44 -11.649 2.869 1.873 1.00 0.00 N ATOM 697 CA CYS A 44 -11.278 4.079 2.597 1.00 0.00 C ATOM 698 C CYS A 44 -10.193 3.785 3.629 1.00 0.00 C ATOM 699 O CYS A 44 -9.203 4.510 3.730 1.00 0.00 O ATOM 700 CB CYS A 44 -12.503 4.681 3.287 1.00 0.00 C ATOM 701 SG CYS A 44 -13.143 3.684 4.671 1.00 0.00 S ATOM 0 H CYS A 44 -12.549 2.474 2.146 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.885 4.797 1.877 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.247 5.674 3.657 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.295 4.810 2.549 1.00 0.00 H new ATOM 706 N LYS A 45 -10.386 2.715 4.393 1.00 0.00 N ATOM 707 CA LYS A 45 -9.425 2.322 5.417 1.00 0.00 C ATOM 708 C LYS A 45 -8.060 2.034 4.799 1.00 0.00 C ATOM 709 O LYS A 45 -7.031 2.150 5.464 1.00 0.00 O ATOM 710 CB LYS A 45 -9.926 1.088 6.169 1.00 0.00 C ATOM 711 CG LYS A 45 -11.127 1.363 7.058 1.00 0.00 C ATOM 712 CD LYS A 45 -10.751 2.227 8.251 1.00 0.00 C ATOM 713 CE LYS A 45 -11.638 1.935 9.451 1.00 0.00 C ATOM 714 NZ LYS A 45 -11.099 2.542 10.700 1.00 0.00 N ATOM 0 H LYS A 45 -11.200 2.104 4.322 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.320 3.150 6.119 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.188 0.315 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.115 0.691 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.904 1.860 6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.545 0.419 7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.709 2.050 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.837 3.280 7.981 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.641 2.319 9.264 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.729 0.857 9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.598 2.145 11.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.083 2.333 10.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.239 3.572 10.674 1.00 0.00 H new ATOM 728 N ALA A 46 -8.059 1.660 3.524 1.00 0.00 N ATOM 729 CA ALA A 46 -6.820 1.359 2.817 1.00 0.00 C ATOM 730 C ALA A 46 -5.761 2.421 3.090 1.00 0.00 C ATOM 731 O ALA A 46 -4.723 2.137 3.689 1.00 0.00 O ATOM 732 CB ALA A 46 -7.081 1.243 1.323 1.00 0.00 C ATOM 0 H ALA A 46 -8.902 1.558 2.959 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.443 0.405 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.148 1.018 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.799 0.443 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.484 2.184 0.950 1.00 0.00 H new ATOM 738 N ASP A 47 -6.028 3.644 2.648 1.00 0.00 N ATOM 739 CA ASP A 47 -5.097 4.750 2.845 1.00 0.00 C ATOM 740 C ASP A 47 -4.351 4.602 4.167 1.00 0.00 C ATOM 741 O ASP A 47 -3.165 4.919 4.259 1.00 0.00 O ATOM 742 CB ASP A 47 -5.843 6.085 2.813 1.00 0.00 C ATOM 743 CG ASP A 47 -6.473 6.428 4.148 1.00 0.00 C ATOM 744 OD1 ASP A 47 -7.288 5.622 4.644 1.00 0.00 O ATOM 745 OD2 ASP A 47 -6.153 7.503 4.697 1.00 0.00 O ATOM 0 H ASP A 47 -6.882 3.896 2.150 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.370 4.730 2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.152 6.877 2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.618 6.046 2.048 1.00 0.00 H new ATOM 750 N GLU A 48 -5.053 4.120 5.187 1.00 0.00 N ATOM 751 CA GLU A 48 -4.456 3.932 6.504 1.00 0.00 C ATOM 752 C GLU A 48 -3.754 2.580 6.596 1.00 0.00 C ATOM 753 O GLU A 48 -2.664 2.472 7.159 1.00 0.00 O ATOM 754 CB GLU A 48 -5.526 4.038 7.593 1.00 0.00 C ATOM 755 CG GLU A 48 -6.023 5.455 7.822 1.00 0.00 C ATOM 756 CD GLU A 48 -5.015 6.315 8.560 1.00 0.00 C ATOM 757 OE1 GLU A 48 -4.587 5.915 9.662 1.00 0.00 O ATOM 758 OE2 GLU A 48 -4.654 7.389 8.033 1.00 0.00 O ATOM 0 H GLU A 48 -6.035 3.853 5.127 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.715 4.717 6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.371 3.405 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.121 3.648 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.253 5.915 6.861 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.953 5.423 8.390 1.00 0.00 H new ATOM 765 N HIS A 49 -4.386 1.553 6.039 1.00 0.00 N ATOM 766 CA HIS A 49 -3.823 0.207 6.057 1.00 0.00 C ATOM 767 C HIS A 49 -2.476 0.173 5.340 1.00 0.00 C ATOM 768 O HIS A 49 -1.490 -0.335 5.875 1.00 0.00 O ATOM 769 CB HIS A 49 -4.787 -0.782 5.402 1.00 0.00 C ATOM 770 CG HIS A 49 -4.175 -2.119 5.120 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.159 -3.148 6.038 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.555 -2.594 4.014 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.555 -4.197 5.510 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.179 -3.887 4.282 1.00 0.00 N ATOM 0 H HIS A 49 -5.288 1.626 5.569 1.00 0.00 H new ATOM 0 HA HIS A 49 -3.670 -0.082 7.097 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.652 -0.917 6.051 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.153 -0.355 4.468 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.552 -3.105 6.978 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.387 -2.056 3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.396 -5.147 5.999 1.00 0.00 H new ATOM 782 N ARG A 50 -2.443 0.715 4.127 1.00 0.00 N ATOM 783 CA ARG A 50 -1.218 0.744 3.337 1.00 0.00 C ATOM 784 C ARG A 50 -0.034 1.201 4.185 1.00 0.00 C ATOM 785 O ARG A 50 1.105 0.797 3.949 1.00 0.00 O ATOM 786 CB ARG A 50 -1.385 1.673 2.133 1.00 0.00 C ATOM 787 CG ARG A 50 -1.465 3.144 2.505 1.00 0.00 C ATOM 788 CD ARG A 50 -1.252 4.038 1.293 1.00 0.00 C ATOM 789 NE ARG A 50 -2.455 4.139 0.470 1.00 0.00 N ATOM 790 CZ ARG A 50 -2.757 3.282 -0.499 1.00 0.00 C ATOM 791 NH1 ARG A 50 -1.948 2.266 -0.765 1.00 0.00 N ATOM 792 NH2 ARG A 50 -3.869 3.441 -1.204 1.00 0.00 N ATOM 0 H ARG A 50 -3.250 1.140 3.670 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.020 -0.268 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.548 1.524 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.289 1.394 1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.438 3.356 2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.714 3.370 3.262 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.955 5.033 1.624 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.433 3.644 0.691 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.098 4.910 0.649 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.092 2.141 -0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.182 1.609 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.493 4.222 -1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.100 2.782 -1.948 1.00 0.00 H new ATOM 806 N LEU A 51 -0.312 2.046 5.172 1.00 0.00 N ATOM 807 CA LEU A 51 0.730 2.558 6.056 1.00 0.00 C ATOM 808 C LEU A 51 1.265 1.456 6.964 1.00 0.00 C ATOM 809 O LEU A 51 2.463 1.394 7.244 1.00 0.00 O ATOM 810 CB LEU A 51 0.187 3.712 6.900 1.00 0.00 C ATOM 811 CG LEU A 51 -0.309 4.935 6.127 1.00 0.00 C ATOM 812 CD1 LEU A 51 -0.925 5.952 7.075 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.828 5.562 5.334 1.00 0.00 C ATOM 0 H LEU A 51 -1.249 2.391 5.380 1.00 0.00 H new ATOM 0 HA LEU A 51 1.550 2.922 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.634 3.335 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.971 4.034 7.586 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.078 4.610 5.426 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.272 6.815 6.507 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.767 5.499 7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.178 6.272 7.801 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.457 6.431 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.620 5.872 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.223 4.833 4.627 1.00 0.00 H new ATOM 825 N LEU A 52 0.370 0.586 7.419 1.00 0.00 N ATOM 826 CA LEU A 52 0.752 -0.517 8.295 1.00 0.00 C ATOM 827 C LEU A 52 1.233 -1.715 7.483 1.00 0.00 C ATOM 828 O LEU A 52 2.328 -2.231 7.706 1.00 0.00 O ATOM 829 CB LEU A 52 -0.428 -0.925 9.178 1.00 0.00 C ATOM 830 CG LEU A 52 -1.229 0.220 9.800 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.365 -0.325 10.651 1.00 0.00 C ATOM 832 CD2 LEU A 52 -0.321 1.116 10.629 1.00 0.00 C ATOM 0 H LEU A 52 -0.625 0.623 7.196 1.00 0.00 H new ATOM 0 HA LEU A 52 1.572 -0.178 8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.107 -1.535 8.583 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.052 -1.558 9.982 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.659 0.817 8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.924 0.504 11.086 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.030 -0.925 10.029 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.957 -0.945 11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.907 1.925 11.064 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.138 0.531 11.426 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.458 1.534 9.991 1.00 0.00 H new ATOM 844 N CYS A 53 0.407 -2.152 6.537 1.00 0.00 N ATOM 845 CA CYS A 53 0.748 -3.288 5.690 1.00 0.00 C ATOM 846 C CYS A 53 2.253 -3.356 5.449 1.00 0.00 C ATOM 847 O CYS A 53 2.889 -2.376 5.061 1.00 0.00 O ATOM 848 CB CYS A 53 0.010 -3.193 4.353 1.00 0.00 C ATOM 849 SG CYS A 53 0.181 -4.672 3.302 1.00 0.00 S ATOM 0 H CYS A 53 -0.503 -1.736 6.338 1.00 0.00 H new ATOM 0 HA CYS A 53 0.440 -4.198 6.205 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.048 -3.018 4.546 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.382 -2.327 3.806 1.00 0.00 H new ATOM 854 N PRO A 54 2.837 -4.540 5.684 1.00 0.00 N ATOM 855 CA PRO A 54 4.274 -4.765 5.498 1.00 0.00 C ATOM 856 C PRO A 54 4.679 -4.746 4.028 1.00 0.00 C ATOM 857 O PRO A 54 5.731 -4.217 3.670 1.00 0.00 O ATOM 858 CB PRO A 54 4.496 -6.156 6.096 1.00 0.00 C ATOM 859 CG PRO A 54 3.173 -6.832 5.983 1.00 0.00 C ATOM 860 CD PRO A 54 2.140 -5.752 6.147 1.00 0.00 C ATOM 0 HA PRO A 54 4.872 -3.984 5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.267 -6.702 5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.821 -6.093 7.134 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.069 -7.328 5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.060 -7.599 6.749 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.249 -5.955 5.553 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.817 -5.659 7.184 1.00 0.00 H new ATOM 868 N PHE A 55 3.836 -5.326 3.180 1.00 0.00 N ATOM 869 CA PHE A 55 4.107 -5.376 1.748 1.00 0.00 C ATOM 870 C PHE A 55 4.380 -3.979 1.197 1.00 0.00 C ATOM 871 O PHE A 55 5.329 -3.775 0.441 1.00 0.00 O ATOM 872 CB PHE A 55 2.927 -6.007 1.006 1.00 0.00 C ATOM 873 CG PHE A 55 3.000 -7.505 0.926 1.00 0.00 C ATOM 874 CD1 PHE A 55 3.221 -8.262 2.066 1.00 0.00 C ATOM 875 CD2 PHE A 55 2.849 -8.156 -0.287 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.290 -9.641 1.995 1.00 0.00 C ATOM 877 CE2 PHE A 55 2.916 -9.534 -0.364 1.00 0.00 C ATOM 878 CZ PHE A 55 3.137 -10.278 0.779 1.00 0.00 C ATOM 0 H PHE A 55 2.960 -5.768 3.459 1.00 0.00 H new ATOM 0 HA PHE A 55 4.995 -5.989 1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.001 -5.723 1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.883 -5.599 -0.004 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.341 -7.769 3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.677 -7.579 -1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.463 -10.220 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.796 -10.029 -1.316 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.190 -11.355 0.722 1.00 0.00 H new ATOM 888 N GLU A 56 3.541 -3.023 1.582 1.00 0.00 N ATOM 889 CA GLU A 56 3.692 -1.646 1.125 1.00 0.00 C ATOM 890 C GLU A 56 5.155 -1.215 1.170 1.00 0.00 C ATOM 891 O GLU A 56 5.878 -1.534 2.114 1.00 0.00 O ATOM 892 CB GLU A 56 2.845 -0.705 1.984 1.00 0.00 C ATOM 893 CG GLU A 56 2.589 0.645 1.336 1.00 0.00 C ATOM 894 CD GLU A 56 2.167 0.525 -0.116 1.00 0.00 C ATOM 895 OE1 GLU A 56 3.057 0.423 -0.986 1.00 0.00 O ATOM 896 OE2 GLU A 56 0.947 0.533 -0.381 1.00 0.00 O ATOM 0 H GLU A 56 2.751 -3.176 2.208 1.00 0.00 H new ATOM 0 HA GLU A 56 3.347 -1.593 0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.889 -1.183 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.345 -0.551 2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.813 1.170 1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.493 1.251 1.399 1.00 0.00 H new ATOM 903 N ARG A 57 5.584 -0.490 0.142 1.00 0.00 N ATOM 904 CA ARG A 57 6.960 -0.016 0.063 1.00 0.00 C ATOM 905 C ARG A 57 7.289 0.898 1.239 1.00 0.00 C ATOM 906 O ARG A 57 6.591 1.880 1.490 1.00 0.00 O ATOM 907 CB ARG A 57 7.191 0.727 -1.255 1.00 0.00 C ATOM 908 CG ARG A 57 8.641 1.121 -1.486 1.00 0.00 C ATOM 909 CD ARG A 57 9.518 -0.098 -1.727 1.00 0.00 C ATOM 910 NE ARG A 57 9.165 -0.790 -2.964 1.00 0.00 N ATOM 911 CZ ARG A 57 9.392 -0.293 -4.175 1.00 0.00 C ATOM 912 NH1 ARG A 57 9.969 0.893 -4.310 1.00 0.00 N ATOM 913 NH2 ARG A 57 9.042 -0.982 -5.253 1.00 0.00 N ATOM 0 H ARG A 57 4.998 -0.218 -0.648 1.00 0.00 H new ATOM 0 HA ARG A 57 7.619 -0.883 0.104 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.858 0.097 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.573 1.625 -1.270 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.705 1.792 -2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.012 1.672 -0.622 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.563 0.210 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.422 -0.786 -0.887 1.00 0.00 H new ATOM 0 HE ARG A 57 8.720 -1.705 -2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.240 1.426 -3.483 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.142 1.273 -5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.598 -1.895 -5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.217 -0.599 -6.182 1.00 0.00 H new ATOM 927 N VAL A 58 8.358 0.568 1.958 1.00 0.00 N ATOM 928 CA VAL A 58 8.780 1.359 3.107 1.00 0.00 C ATOM 929 C VAL A 58 10.289 1.576 3.100 1.00 0.00 C ATOM 930 O VAL A 58 11.063 0.718 2.674 1.00 0.00 O ATOM 931 CB VAL A 58 8.376 0.685 4.432 1.00 0.00 C ATOM 932 CG1 VAL A 58 6.867 0.509 4.502 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.085 -0.652 4.587 1.00 0.00 C ATOM 0 H VAL A 58 8.947 -0.242 1.764 1.00 0.00 H new ATOM 0 HA VAL A 58 8.276 2.323 3.030 1.00 0.00 H new ATOM 0 HB VAL A 58 8.681 1.330 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.600 0.031 5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.384 1.484 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.535 -0.115 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.788 -1.114 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.812 -1.307 3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.164 -0.494 4.585 1.00 0.00 H new ATOM 943 N PRO A 59 10.721 2.750 3.584 1.00 0.00 N ATOM 944 CA PRO A 59 12.141 3.107 3.645 1.00 0.00 C ATOM 945 C PRO A 59 12.900 2.289 4.685 1.00 0.00 C ATOM 946 O PRO A 59 12.350 1.923 5.724 1.00 0.00 O ATOM 947 CB PRO A 59 12.118 4.586 4.041 1.00 0.00 C ATOM 948 CG PRO A 59 10.825 4.766 4.760 1.00 0.00 C ATOM 949 CD PRO A 59 9.855 3.819 4.109 1.00 0.00 C ATOM 0 HA PRO A 59 12.651 2.912 2.702 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.965 4.838 4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.177 5.231 3.165 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.934 4.544 5.822 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.476 5.796 4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.129 3.433 4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.291 4.306 3.314 1.00 0.00 H new ATOM 957 N CYS A 60 14.166 2.006 4.398 1.00 0.00 N ATOM 958 CA CYS A 60 15.002 1.231 5.307 1.00 0.00 C ATOM 959 C CYS A 60 14.874 1.748 6.738 1.00 0.00 C ATOM 960 O CYS A 60 14.971 2.950 6.986 1.00 0.00 O ATOM 961 CB CYS A 60 16.464 1.287 4.862 1.00 0.00 C ATOM 962 SG CYS A 60 17.583 0.244 5.853 1.00 0.00 S ATOM 0 H CYS A 60 14.636 2.302 3.542 1.00 0.00 H new ATOM 0 HA CYS A 60 14.661 0.196 5.281 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.527 0.979 3.818 1.00 0.00 H new ATOM 0 HB3 CYS A 60 16.808 2.320 4.911 1.00 0.00 H new ATOM 967 N LEU A 61 14.655 0.832 7.674 1.00 0.00 N ATOM 968 CA LEU A 61 14.514 1.194 9.080 1.00 0.00 C ATOM 969 C LEU A 61 15.498 2.296 9.460 1.00 0.00 C ATOM 970 O LEU A 61 15.147 3.239 10.168 1.00 0.00 O ATOM 971 CB LEU A 61 14.736 -0.032 9.968 1.00 0.00 C ATOM 972 CG LEU A 61 13.498 -0.880 10.264 1.00 0.00 C ATOM 973 CD1 LEU A 61 13.899 -2.220 10.861 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.554 -0.137 11.199 1.00 0.00 C ATOM 0 H LEU A 61 14.571 -0.167 7.485 1.00 0.00 H new ATOM 0 HA LEU A 61 13.502 1.567 9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.483 -0.669 9.494 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.158 0.302 10.916 1.00 0.00 H new ATOM 0 HG LEU A 61 12.975 -1.066 9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.005 -2.810 11.065 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.535 -2.757 10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.445 -2.056 11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.679 -0.755 11.399 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.066 0.080 12.136 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.240 0.797 10.732 1.00 0.00 H new ATOM 986 N ASN A 62 16.733 2.170 8.984 1.00 0.00 N ATOM 987 CA ASN A 62 17.768 3.156 9.272 1.00 0.00 C ATOM 988 C ASN A 62 17.758 4.274 8.234 1.00 0.00 C ATOM 989 O ASN A 62 18.805 4.668 7.722 1.00 0.00 O ATOM 990 CB ASN A 62 19.143 2.487 9.305 1.00 0.00 C ATOM 991 CG ASN A 62 19.359 1.550 8.132 1.00 0.00 C ATOM 992 OD1 ASN A 62 19.453 1.986 6.984 1.00 0.00 O ATOM 993 ND2 ASN A 62 19.438 0.255 8.416 1.00 0.00 N ATOM 0 H ASN A 62 17.041 1.395 8.397 1.00 0.00 H new ATOM 0 HA ASN A 62 17.559 3.591 10.250 1.00 0.00 H new ATOM 0 HB2 ASN A 62 19.917 3.254 9.301 1.00 0.00 H new ATOM 0 HB3 ASN A 62 19.251 1.930 10.236 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.582 -0.423 7.668 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.355 -0.061 9.382 1.00 0.00 H new ATOM 1000 N SER A 63 16.568 4.781 7.929 1.00 0.00 N ATOM 1001 CA SER A 63 16.421 5.852 6.951 1.00 0.00 C ATOM 1002 C SER A 63 17.215 7.085 7.371 1.00 0.00 C ATOM 1003 O SER A 63 17.874 7.722 6.549 1.00 0.00 O ATOM 1004 CB SER A 63 14.945 6.215 6.779 1.00 0.00 C ATOM 1005 OG SER A 63 14.432 6.832 7.948 1.00 0.00 O ATOM 0 H SER A 63 15.691 4.467 8.345 1.00 0.00 H new ATOM 0 HA SER A 63 16.814 5.497 5.998 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.829 6.887 5.929 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.370 5.316 6.556 1.00 0.00 H new ATOM 0 HG SER A 63 13.488 7.056 7.812 1.00 0.00 H new ATOM 1011 N ASP A 64 17.146 7.415 8.656 1.00 0.00 N ATOM 1012 CA ASP A 64 17.859 8.571 9.187 1.00 0.00 C ATOM 1013 C ASP A 64 19.308 8.582 8.712 1.00 0.00 C ATOM 1014 O ASP A 64 19.838 9.624 8.326 1.00 0.00 O ATOM 1015 CB ASP A 64 17.810 8.568 10.716 1.00 0.00 C ATOM 1016 CG ASP A 64 16.405 8.377 11.250 1.00 0.00 C ATOM 1017 OD1 ASP A 64 15.587 9.312 11.119 1.00 0.00 O ATOM 1018 OD2 ASP A 64 16.122 7.292 11.800 1.00 0.00 O ATOM 0 H ASP A 64 16.604 6.899 9.349 1.00 0.00 H new ATOM 0 HA ASP A 64 17.368 9.471 8.817 1.00 0.00 H new ATOM 0 HB2 ASP A 64 18.451 7.772 11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.213 9.508 11.091 1.00 0.00 H new ATOM 1023 N PHE A 65 19.944 7.415 8.744 1.00 0.00 N ATOM 1024 CA PHE A 65 21.334 7.291 8.318 1.00 0.00 C ATOM 1025 C PHE A 65 21.510 7.788 6.886 1.00 0.00 C ATOM 1026 O PHE A 65 22.496 8.450 6.565 1.00 0.00 O ATOM 1027 CB PHE A 65 21.793 5.835 8.425 1.00 0.00 C ATOM 1028 CG PHE A 65 22.325 5.472 9.782 1.00 0.00 C ATOM 1029 CD1 PHE A 65 21.460 5.219 10.834 1.00 0.00 C ATOM 1030 CD2 PHE A 65 23.689 5.385 10.005 1.00 0.00 C ATOM 1031 CE1 PHE A 65 21.946 4.885 12.084 1.00 0.00 C ATOM 1032 CE2 PHE A 65 24.181 5.051 11.253 1.00 0.00 C ATOM 1033 CZ PHE A 65 23.308 4.802 12.294 1.00 0.00 C ATOM 0 H PHE A 65 19.520 6.543 9.060 1.00 0.00 H new ATOM 0 HA PHE A 65 21.947 7.908 8.975 1.00 0.00 H new ATOM 0 HB2 PHE A 65 20.956 5.180 8.185 1.00 0.00 H new ATOM 0 HB3 PHE A 65 22.566 5.650 7.679 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.394 5.283 10.676 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.376 5.580 9.195 1.00 0.00 H new ATOM 0 HE1 PHE A 65 21.261 4.689 12.896 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.247 4.985 11.414 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.690 4.543 13.270 1.00 0.00 H new ATOM 1043 N GLY A 66 20.547 7.462 6.029 1.00 0.00 N ATOM 1044 CA GLY A 66 20.615 7.882 4.642 1.00 0.00 C ATOM 1045 C GLY A 66 20.643 6.710 3.682 1.00 0.00 C ATOM 1046 O GLY A 66 21.486 6.651 2.786 1.00 0.00 O ATOM 0 H GLY A 66 19.721 6.914 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.756 8.514 4.414 1.00 0.00 H new ATOM 0 HA3 GLY A 66 21.507 8.491 4.493 1.00 0.00 H new ATOM 1050 N CYS A 67 19.720 5.772 3.868 1.00 0.00 N ATOM 1051 CA CYS A 67 19.642 4.594 3.013 1.00 0.00 C ATOM 1052 C CYS A 67 18.640 4.807 1.882 1.00 0.00 C ATOM 1053 O CYS A 67 17.429 4.868 2.096 1.00 0.00 O ATOM 1054 CB CYS A 67 19.246 3.366 3.836 1.00 0.00 C ATOM 1055 SG CYS A 67 19.894 1.794 3.183 1.00 0.00 S ATOM 0 H CYS A 67 19.015 5.805 4.604 1.00 0.00 H new ATOM 0 HA CYS A 67 20.626 4.428 2.575 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.601 3.497 4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.159 3.308 3.882 1.00 0.00 H new ATOM 1060 N PRO A 68 19.155 4.924 0.649 1.00 0.00 N ATOM 1061 CA PRO A 68 18.323 5.131 -0.540 1.00 0.00 C ATOM 1062 C PRO A 68 17.501 3.897 -0.894 1.00 0.00 C ATOM 1063 O PRO A 68 16.609 3.955 -1.741 1.00 0.00 O ATOM 1064 CB PRO A 68 19.345 5.426 -1.640 1.00 0.00 C ATOM 1065 CG PRO A 68 20.600 4.767 -1.180 1.00 0.00 C ATOM 1066 CD PRO A 68 20.589 4.862 0.321 1.00 0.00 C ATOM 0 HA PRO A 68 17.592 5.926 -0.393 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.018 5.028 -2.601 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.487 6.499 -1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.637 3.727 -1.505 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.477 5.263 -1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.070 3.999 0.782 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.120 5.747 0.671 1.00 0.00 H new ATOM 1074 N PHE A 69 17.805 2.781 -0.240 1.00 0.00 N ATOM 1075 CA PHE A 69 17.093 1.532 -0.487 1.00 0.00 C ATOM 1076 C PHE A 69 15.663 1.608 0.040 1.00 0.00 C ATOM 1077 O PHE A 69 15.399 2.237 1.066 1.00 0.00 O ATOM 1078 CB PHE A 69 17.830 0.363 0.170 1.00 0.00 C ATOM 1079 CG PHE A 69 19.100 -0.018 -0.536 1.00 0.00 C ATOM 1080 CD1 PHE A 69 19.078 -0.905 -1.600 1.00 0.00 C ATOM 1081 CD2 PHE A 69 20.316 0.511 -0.135 1.00 0.00 C ATOM 1082 CE1 PHE A 69 20.245 -1.258 -2.250 1.00 0.00 C ATOM 1083 CE2 PHE A 69 21.487 0.163 -0.782 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.451 -0.722 -1.842 1.00 0.00 C ATOM 0 H PHE A 69 18.539 2.716 0.465 1.00 0.00 H new ATOM 0 HA PHE A 69 17.056 1.370 -1.564 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.062 0.624 1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.168 -0.502 0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 69 18.138 -1.325 -1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 69 20.349 1.204 0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 69 20.214 -1.953 -3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 69 22.428 0.582 -0.459 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.364 -0.994 -2.351 1.00 0.00 H new ATOM 1094 N THR A 70 14.743 0.962 -0.669 1.00 0.00 N ATOM 1095 CA THR A 70 13.339 0.957 -0.275 1.00 0.00 C ATOM 1096 C THR A 70 12.669 -0.361 -0.646 1.00 0.00 C ATOM 1097 O THR A 70 12.761 -0.815 -1.786 1.00 0.00 O ATOM 1098 CB THR A 70 12.567 2.116 -0.933 1.00 0.00 C ATOM 1099 OG1 THR A 70 12.872 2.177 -2.331 1.00 0.00 O ATOM 1100 CG2 THR A 70 12.917 3.442 -0.274 1.00 0.00 C ATOM 0 H THR A 70 14.944 0.435 -1.519 1.00 0.00 H new ATOM 0 HA THR A 70 13.314 1.082 0.808 1.00 0.00 H new ATOM 0 HB THR A 70 11.500 1.933 -0.802 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.813 1.279 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.360 4.246 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.656 3.403 0.784 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.986 3.629 -0.378 1.00 0.00 H new ATOM 1108 N MET A 71 11.995 -0.970 0.323 1.00 0.00 N ATOM 1109 CA MET A 71 11.307 -2.236 0.097 1.00 0.00 C ATOM 1110 C MET A 71 10.224 -2.462 1.147 1.00 0.00 C ATOM 1111 O MET A 71 10.017 -1.628 2.028 1.00 0.00 O ATOM 1112 CB MET A 71 12.306 -3.395 0.120 1.00 0.00 C ATOM 1113 CG MET A 71 13.213 -3.391 1.340 1.00 0.00 C ATOM 1114 SD MET A 71 14.718 -2.432 1.084 1.00 0.00 S ATOM 1115 CE MET A 71 14.487 -1.114 2.275 1.00 0.00 C ATOM 0 H MET A 71 11.910 -0.608 1.273 1.00 0.00 H new ATOM 0 HA MET A 71 10.833 -2.193 -0.884 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.758 -4.337 0.088 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.920 -3.352 -0.779 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.668 -2.984 2.192 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.479 -4.417 1.593 1.00 0.00 H new ATOM 0 HE1 MET A 71 14.933 -0.196 1.893 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.421 -0.958 2.442 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.966 -1.386 3.216 1.00 0.00 H new ATOM 1125 N ALA A 72 9.535 -3.594 1.046 1.00 0.00 N ATOM 1126 CA ALA A 72 8.475 -3.930 1.988 1.00 0.00 C ATOM 1127 C ALA A 72 9.013 -4.016 3.412 1.00 0.00 C ATOM 1128 O ALA A 72 10.167 -4.384 3.629 1.00 0.00 O ATOM 1129 CB ALA A 72 7.812 -5.241 1.592 1.00 0.00 C ATOM 0 H ALA A 72 9.692 -4.294 0.321 1.00 0.00 H new ATOM 0 HA ALA A 72 7.730 -3.135 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.022 -5.479 2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.384 -5.145 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.554 -6.039 1.593 1.00 0.00 H new ATOM 1135 N ARG A 73 8.169 -3.673 4.380 1.00 0.00 N ATOM 1136 CA ARG A 73 8.561 -3.710 5.784 1.00 0.00 C ATOM 1137 C ARG A 73 8.911 -5.131 6.214 1.00 0.00 C ATOM 1138 O ARG A 73 9.778 -5.339 7.061 1.00 0.00 O ATOM 1139 CB ARG A 73 7.436 -3.161 6.664 1.00 0.00 C ATOM 1140 CG ARG A 73 7.915 -2.641 8.010 1.00 0.00 C ATOM 1141 CD ARG A 73 8.268 -1.163 7.942 1.00 0.00 C ATOM 1142 NE ARG A 73 8.112 -0.503 9.235 1.00 0.00 N ATOM 1143 CZ ARG A 73 7.931 0.805 9.376 1.00 0.00 C ATOM 1144 NH1 ARG A 73 7.883 1.590 8.308 1.00 0.00 N ATOM 1145 NH2 ARG A 73 7.798 1.332 10.586 1.00 0.00 N ATOM 0 H ARG A 73 7.210 -3.366 4.218 1.00 0.00 H new ATOM 0 HA ARG A 73 9.446 -3.085 5.905 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.930 -2.355 6.132 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.699 -3.947 6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.138 -2.797 8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.787 -3.210 8.332 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.297 -1.051 7.600 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.632 -0.672 7.205 1.00 0.00 H new ATOM 0 HE ARG A 73 8.144 -1.078 10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.985 1.189 7.376 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.744 2.594 8.419 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.835 0.732 11.410 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.659 2.337 10.692 1.00 0.00 H new ATOM 1159 N ASN A 74 8.228 -6.107 5.623 1.00 0.00 N ATOM 1160 CA ASN A 74 8.466 -7.509 5.946 1.00 0.00 C ATOM 1161 C ASN A 74 9.612 -8.073 5.112 1.00 0.00 C ATOM 1162 O ASN A 74 9.846 -9.281 5.093 1.00 0.00 O ATOM 1163 CB ASN A 74 7.197 -8.331 5.709 1.00 0.00 C ATOM 1164 CG ASN A 74 6.647 -8.154 4.307 1.00 0.00 C ATOM 1165 OD1 ASN A 74 6.972 -7.187 3.618 1.00 0.00 O ATOM 1166 ND2 ASN A 74 5.808 -9.090 3.878 1.00 0.00 N ATOM 0 H ASN A 74 7.506 -5.953 4.919 1.00 0.00 H new ATOM 0 HA ASN A 74 8.741 -7.571 6.999 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.413 -9.385 5.881 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.437 -8.039 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.405 -9.024 2.943 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.566 -9.875 4.483 1.00 0.00 H new ATOM 1173 N LYS A 75 10.325 -7.188 4.423 1.00 0.00 N ATOM 1174 CA LYS A 75 11.449 -7.595 3.588 1.00 0.00 C ATOM 1175 C LYS A 75 12.730 -6.885 4.015 1.00 0.00 C ATOM 1176 O LYS A 75 13.830 -7.413 3.850 1.00 0.00 O ATOM 1177 CB LYS A 75 11.154 -7.294 2.117 1.00 0.00 C ATOM 1178 CG LYS A 75 9.984 -8.085 1.557 1.00 0.00 C ATOM 1179 CD LYS A 75 10.333 -9.555 1.393 1.00 0.00 C ATOM 1180 CE LYS A 75 9.457 -10.221 0.342 1.00 0.00 C ATOM 1181 NZ LYS A 75 10.021 -11.525 -0.104 1.00 0.00 N ATOM 0 H LYS A 75 10.144 -6.184 4.427 1.00 0.00 H new ATOM 0 HA LYS A 75 11.590 -8.669 3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.948 -6.229 2.007 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.044 -7.509 1.525 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.125 -7.986 2.221 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.691 -7.670 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.381 -9.652 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.212 -10.068 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.458 -10.377 0.748 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.352 -9.558 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.396 -11.947 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.964 -11.373 -0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.098 -12.167 0.711 1.00 0.00 H new ATOM 1195 N VAL A 76 12.580 -5.685 4.567 1.00 0.00 N ATOM 1196 CA VAL A 76 13.724 -4.903 5.021 1.00 0.00 C ATOM 1197 C VAL A 76 14.697 -5.765 5.818 1.00 0.00 C ATOM 1198 O VAL A 76 15.900 -5.758 5.563 1.00 0.00 O ATOM 1199 CB VAL A 76 13.280 -3.711 5.890 1.00 0.00 C ATOM 1200 CG1 VAL A 76 14.483 -3.058 6.555 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.508 -2.701 5.055 1.00 0.00 C ATOM 0 H VAL A 76 11.677 -5.233 4.711 1.00 0.00 H new ATOM 0 HA VAL A 76 14.224 -4.526 4.129 1.00 0.00 H new ATOM 0 HB VAL A 76 12.618 -4.081 6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.150 -2.218 7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.990 -3.787 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.172 -2.700 5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.202 -1.866 5.685 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.143 -2.334 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.624 -3.179 4.632 1.00 0.00 H new ATOM 1211 N ALA A 77 14.166 -6.507 6.785 1.00 0.00 N ATOM 1212 CA ALA A 77 14.987 -7.377 7.618 1.00 0.00 C ATOM 1213 C ALA A 77 16.177 -7.923 6.836 1.00 0.00 C ATOM 1214 O ALA A 77 17.326 -7.593 7.126 1.00 0.00 O ATOM 1215 CB ALA A 77 14.150 -8.519 8.174 1.00 0.00 C ATOM 0 H ALA A 77 13.171 -6.523 7.010 1.00 0.00 H new ATOM 0 HA ALA A 77 15.372 -6.785 8.449 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.776 -9.161 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.337 -8.114 8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.737 -9.102 7.351 1.00 0.00 H new ATOM 1221 N GLU A 78 15.893 -8.761 5.843 1.00 0.00 N ATOM 1222 CA GLU A 78 16.941 -9.353 5.021 1.00 0.00 C ATOM 1223 C GLU A 78 17.955 -8.298 4.588 1.00 0.00 C ATOM 1224 O GLU A 78 19.164 -8.503 4.694 1.00 0.00 O ATOM 1225 CB GLU A 78 16.333 -10.028 3.789 1.00 0.00 C ATOM 1226 CG GLU A 78 15.852 -11.446 4.048 1.00 0.00 C ATOM 1227 CD GLU A 78 15.426 -12.158 2.778 1.00 0.00 C ATOM 1228 OE1 GLU A 78 14.977 -11.473 1.836 1.00 0.00 O ATOM 1229 OE2 GLU A 78 15.541 -13.400 2.728 1.00 0.00 O ATOM 0 H GLU A 78 14.947 -9.044 5.589 1.00 0.00 H new ATOM 0 HA GLU A 78 17.457 -10.103 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.495 -9.428 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.075 -10.045 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.648 -12.014 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.014 -11.420 4.744 1.00 0.00 H new ATOM 1236 N HIS A 79 17.452 -7.169 4.099 1.00 0.00 N ATOM 1237 CA HIS A 79 18.314 -6.081 3.650 1.00 0.00 C ATOM 1238 C HIS A 79 19.192 -5.577 4.790 1.00 0.00 C ATOM 1239 O HIS A 79 20.402 -5.412 4.630 1.00 0.00 O ATOM 1240 CB HIS A 79 17.471 -4.932 3.093 1.00 0.00 C ATOM 1241 CG HIS A 79 18.210 -3.632 3.013 1.00 0.00 C ATOM 1242 ND1 HIS A 79 19.313 -3.441 2.209 1.00 0.00 N ATOM 1243 CD2 HIS A 79 17.997 -2.452 3.642 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.748 -2.202 2.347 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.966 -1.580 3.212 1.00 0.00 N ATOM 0 H HIS A 79 16.454 -6.984 4.004 1.00 0.00 H new ATOM 0 HA HIS A 79 18.960 -6.464 2.860 1.00 0.00 H new ATOM 0 HB2 HIS A 79 17.117 -5.201 2.098 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.589 -4.801 3.721 1.00 0.00 H new ATOM 0 HD1 HIS A 79 19.729 -4.147 1.602 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.211 -2.237 4.350 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.598 -1.770 1.839 1.00 0.00 H new ATOM 1253 N LEU A 80 18.576 -5.333 5.942 1.00 0.00 N ATOM 1254 CA LEU A 80 19.302 -4.847 7.110 1.00 0.00 C ATOM 1255 C LEU A 80 20.575 -5.657 7.336 1.00 0.00 C ATOM 1256 O LEU A 80 21.599 -5.117 7.754 1.00 0.00 O ATOM 1257 CB LEU A 80 18.413 -4.915 8.353 1.00 0.00 C ATOM 1258 CG LEU A 80 17.358 -3.816 8.485 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.376 -4.149 9.597 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.020 -2.470 8.741 1.00 0.00 C ATOM 0 H LEU A 80 17.576 -5.464 6.092 1.00 0.00 H new ATOM 0 HA LEU A 80 19.581 -3.809 6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.906 -5.880 8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.053 -4.884 9.235 1.00 0.00 H new ATOM 0 HG LEU A 80 16.806 -3.755 7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.633 -3.355 9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.878 -5.092 9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.913 -4.239 10.542 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.254 -1.699 8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.598 -2.518 9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.683 -2.227 7.910 1.00 0.00 H new ATOM 1272 N GLU A 81 20.502 -6.954 7.056 1.00 0.00 N ATOM 1273 CA GLU A 81 21.649 -7.838 7.228 1.00 0.00 C ATOM 1274 C GLU A 81 22.833 -7.361 6.391 1.00 0.00 C ATOM 1275 O GLU A 81 23.966 -7.314 6.870 1.00 0.00 O ATOM 1276 CB GLU A 81 21.280 -9.271 6.839 1.00 0.00 C ATOM 1277 CG GLU A 81 20.159 -9.859 7.678 1.00 0.00 C ATOM 1278 CD GLU A 81 20.657 -10.467 8.974 1.00 0.00 C ATOM 1279 OE1 GLU A 81 21.155 -11.612 8.940 1.00 0.00 O ATOM 1280 OE2 GLU A 81 20.549 -9.798 10.023 1.00 0.00 O ATOM 0 H GLU A 81 19.661 -7.416 6.709 1.00 0.00 H new ATOM 0 HA GLU A 81 21.937 -7.818 8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.985 -9.289 5.790 1.00 0.00 H new ATOM 0 HB3 GLU A 81 22.163 -9.903 6.933 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.431 -9.079 7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.639 -10.622 7.099 1.00 0.00 H new ATOM 1287 N MET A 82 22.562 -7.008 5.139 1.00 0.00 N ATOM 1288 CA MET A 82 23.604 -6.534 4.236 1.00 0.00 C ATOM 1289 C MET A 82 23.456 -5.040 3.971 1.00 0.00 C ATOM 1290 O MET A 82 23.904 -4.534 2.941 1.00 0.00 O ATOM 1291 CB MET A 82 23.554 -7.306 2.916 1.00 0.00 C ATOM 1292 CG MET A 82 22.319 -7.005 2.082 1.00 0.00 C ATOM 1293 SD MET A 82 22.431 -7.667 0.409 1.00 0.00 S ATOM 1294 CE MET A 82 20.877 -8.549 0.289 1.00 0.00 C ATOM 0 H MET A 82 21.630 -7.041 4.727 1.00 0.00 H new ATOM 0 HA MET A 82 24.569 -6.706 4.713 1.00 0.00 H new ATOM 0 HB2 MET A 82 24.443 -7.069 2.332 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.588 -8.375 3.128 1.00 0.00 H new ATOM 0 HG2 MET A 82 21.442 -7.423 2.576 1.00 0.00 H new ATOM 0 HG3 MET A 82 22.173 -5.926 2.032 1.00 0.00 H new ATOM 0 HE1 MET A 82 20.798 -9.015 -0.693 1.00 0.00 H new ATOM 0 HE2 MET A 82 20.835 -9.318 1.060 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.051 -7.851 0.427 1.00 0.00 H new ATOM 1304 N CYS A 83 22.824 -4.337 4.905 1.00 0.00 N ATOM 1305 CA CYS A 83 22.616 -2.901 4.773 1.00 0.00 C ATOM 1306 C CYS A 83 23.809 -2.125 5.322 1.00 0.00 C ATOM 1307 O CYS A 83 24.354 -2.442 6.380 1.00 0.00 O ATOM 1308 CB CYS A 83 21.339 -2.480 5.505 1.00 0.00 C ATOM 1309 SG CYS A 83 21.187 -0.683 5.760 1.00 0.00 S ATOM 0 H CYS A 83 22.447 -4.740 5.763 1.00 0.00 H new ATOM 0 HA CYS A 83 22.512 -2.670 3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.476 -2.830 4.939 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.308 -2.978 6.474 1.00 0.00 H new ATOM 1314 N PRO A 84 24.226 -1.082 4.588 1.00 0.00 N ATOM 1315 CA PRO A 84 25.359 -0.239 4.982 1.00 0.00 C ATOM 1316 C PRO A 84 25.045 0.620 6.202 1.00 0.00 C ATOM 1317 O PRO A 84 25.844 0.707 7.134 1.00 0.00 O ATOM 1318 CB PRO A 84 25.589 0.642 3.752 1.00 0.00 C ATOM 1319 CG PRO A 84 24.267 0.689 3.066 1.00 0.00 C ATOM 1320 CD PRO A 84 23.623 -0.647 3.317 1.00 0.00 C ATOM 0 HA PRO A 84 26.228 -0.831 5.268 1.00 0.00 H new ATOM 0 HB2 PRO A 84 25.923 1.640 4.037 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.357 0.222 3.103 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.652 1.499 3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.388 0.870 1.998 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.539 -0.563 3.394 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.831 -1.351 2.512 1.00 0.00 H new ATOM 1328 N ALA A 85 23.876 1.253 6.190 1.00 0.00 N ATOM 1329 CA ALA A 85 23.456 2.103 7.296 1.00 0.00 C ATOM 1330 C ALA A 85 23.328 1.301 8.587 1.00 0.00 C ATOM 1331 O ALA A 85 23.386 1.857 9.683 1.00 0.00 O ATOM 1332 CB ALA A 85 22.138 2.788 6.965 1.00 0.00 C ATOM 0 H ALA A 85 23.203 1.193 5.426 1.00 0.00 H new ATOM 0 HA ALA A 85 24.221 2.865 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.836 3.420 7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.261 3.401 6.072 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.371 2.034 6.785 1.00 0.00 H new ATOM 1338 N SER A 86 23.151 -0.009 8.449 1.00 0.00 N ATOM 1339 CA SER A 86 23.010 -0.887 9.604 1.00 0.00 C ATOM 1340 C SER A 86 24.330 -1.007 10.360 1.00 0.00 C ATOM 1341 O SER A 86 24.364 -1.457 11.506 1.00 0.00 O ATOM 1342 CB SER A 86 22.534 -2.273 9.163 1.00 0.00 C ATOM 1343 OG SER A 86 22.530 -3.181 10.251 1.00 0.00 O ATOM 0 H SER A 86 23.102 -0.486 7.549 1.00 0.00 H new ATOM 0 HA SER A 86 22.267 -0.451 10.272 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.531 -2.200 8.743 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.184 -2.650 8.373 1.00 0.00 H new ATOM 0 HG SER A 86 22.074 -4.007 9.986 1.00 0.00 H new ATOM 1349 N VAL A 87 25.416 -0.602 9.710 1.00 0.00 N ATOM 1350 CA VAL A 87 26.739 -0.662 10.320 1.00 0.00 C ATOM 1351 C VAL A 87 26.847 -1.839 11.282 1.00 0.00 C ATOM 1352 O VAL A 87 27.324 -1.693 12.407 1.00 0.00 O ATOM 1353 CB VAL A 87 27.067 0.638 11.078 1.00 0.00 C ATOM 1354 CG1 VAL A 87 27.059 1.827 10.128 1.00 0.00 C ATOM 1355 CG2 VAL A 87 26.085 0.851 12.220 1.00 0.00 C ATOM 0 H VAL A 87 25.406 -0.229 8.761 1.00 0.00 H new ATOM 0 HA VAL A 87 27.456 -0.792 9.509 1.00 0.00 H new ATOM 0 HB VAL A 87 28.067 0.549 11.501 1.00 0.00 H new ATOM 0 HG11 VAL A 87 27.293 2.736 10.681 1.00 0.00 H new ATOM 0 HG12 VAL A 87 27.805 1.675 9.348 1.00 0.00 H new ATOM 0 HG13 VAL A 87 26.073 1.923 9.673 1.00 0.00 H new ATOM 0 HG21 VAL A 87 26.332 1.774 12.745 1.00 0.00 H new ATOM 0 HG22 VAL A 87 25.073 0.920 11.821 1.00 0.00 H new ATOM 0 HG23 VAL A 87 26.146 0.012 12.913 1.00 0.00 H new ATOM 1365 N SER A 88 26.403 -3.008 10.831 1.00 0.00 N ATOM 1366 CA SER A 88 26.447 -4.212 11.653 1.00 0.00 C ATOM 1367 C SER A 88 26.555 -5.460 10.782 1.00 0.00 C ATOM 1368 O SER A 88 25.627 -5.802 10.050 1.00 0.00 O ATOM 1369 CB SER A 88 25.201 -4.297 12.536 1.00 0.00 C ATOM 1370 OG SER A 88 25.135 -5.545 13.204 1.00 0.00 O ATOM 0 H SER A 88 26.009 -3.147 9.901 1.00 0.00 H new ATOM 0 HA SER A 88 27.331 -4.157 12.289 1.00 0.00 H new ATOM 0 HB2 SER A 88 25.214 -3.489 13.268 1.00 0.00 H new ATOM 0 HB3 SER A 88 24.308 -4.160 11.926 1.00 0.00 H new ATOM 0 HG SER A 88 24.331 -5.575 13.763 1.00 0.00 H new ATOM 1376 N GLY A 89 27.695 -6.138 10.869 1.00 0.00 N ATOM 1377 CA GLY A 89 27.904 -7.342 10.085 1.00 0.00 C ATOM 1378 C GLY A 89 28.216 -8.549 10.947 1.00 0.00 C ATOM 1379 O GLY A 89 28.596 -8.425 12.112 1.00 0.00 O ATOM 0 H GLY A 89 28.478 -5.875 11.468 1.00 0.00 H new ATOM 0 HA2 GLY A 89 27.013 -7.544 9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 89 28.723 -7.178 9.385 1.00 0.00 H new ATOM 1383 N PRO A 90 28.054 -9.749 10.372 1.00 0.00 N ATOM 1384 CA PRO A 90 28.314 -11.007 11.079 1.00 0.00 C ATOM 1385 C PRO A 90 29.800 -11.226 11.344 1.00 0.00 C ATOM 1386 O PRO A 90 30.507 -11.812 10.524 1.00 0.00 O ATOM 1387 CB PRO A 90 27.781 -12.071 10.117 1.00 0.00 C ATOM 1388 CG PRO A 90 27.857 -11.438 8.770 1.00 0.00 C ATOM 1389 CD PRO A 90 27.604 -9.972 8.988 1.00 0.00 C ATOM 0 HA PRO A 90 27.843 -11.027 12.062 1.00 0.00 H new ATOM 0 HB2 PRO A 90 28.380 -12.980 10.161 1.00 0.00 H new ATOM 0 HB3 PRO A 90 26.757 -12.352 10.365 1.00 0.00 H new ATOM 0 HG2 PRO A 90 28.834 -11.602 8.316 1.00 0.00 H new ATOM 0 HG3 PRO A 90 27.116 -11.866 8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 90 28.162 -9.359 8.281 1.00 0.00 H new ATOM 0 HD3 PRO A 90 26.550 -9.723 8.863 1.00 0.00 H new ATOM 1397 N SER A 91 30.267 -10.752 12.495 1.00 0.00 N ATOM 1398 CA SER A 91 31.670 -10.894 12.866 1.00 0.00 C ATOM 1399 C SER A 91 31.846 -11.986 13.917 1.00 0.00 C ATOM 1400 O SER A 91 31.058 -12.092 14.857 1.00 0.00 O ATOM 1401 CB SER A 91 32.215 -9.566 13.397 1.00 0.00 C ATOM 1402 OG SER A 91 31.783 -9.333 14.727 1.00 0.00 O ATOM 0 H SER A 91 29.695 -10.267 13.186 1.00 0.00 H new ATOM 0 HA SER A 91 32.230 -11.178 11.975 1.00 0.00 H new ATOM 0 HB2 SER A 91 33.304 -9.576 13.362 1.00 0.00 H new ATOM 0 HB3 SER A 91 31.883 -8.750 12.755 1.00 0.00 H new ATOM 0 HG SER A 91 32.146 -8.480 15.044 1.00 0.00 H new ATOM 1408 N SER A 92 32.887 -12.796 13.751 1.00 0.00 N ATOM 1409 CA SER A 92 33.166 -13.883 14.682 1.00 0.00 C ATOM 1410 C SER A 92 33.970 -13.381 15.877 1.00 0.00 C ATOM 1411 O SER A 92 33.590 -13.593 17.028 1.00 0.00 O ATOM 1412 CB SER A 92 33.928 -15.005 13.974 1.00 0.00 C ATOM 1413 OG SER A 92 33.656 -16.261 14.572 1.00 0.00 O ATOM 0 H SER A 92 33.551 -12.720 12.980 1.00 0.00 H new ATOM 0 HA SER A 92 32.215 -14.272 15.045 1.00 0.00 H new ATOM 0 HB2 SER A 92 33.648 -15.031 12.921 1.00 0.00 H new ATOM 0 HB3 SER A 92 34.998 -14.804 14.014 1.00 0.00 H new ATOM 0 HG SER A 92 34.153 -16.962 14.101 1.00 0.00 H new ATOM 1419 N GLY A 93 35.085 -12.714 15.594 1.00 0.00 N ATOM 1420 CA GLY A 93 35.926 -12.193 16.656 1.00 0.00 C ATOM 1421 C GLY A 93 35.938 -10.677 16.694 1.00 0.00 C ATOM 1422 O GLY A 93 34.899 -10.046 16.883 1.00 0.00 O ATOM 0 H GLY A 93 35.421 -12.525 14.649 1.00 0.00 H new ATOM 0 HA2 GLY A 93 35.574 -12.575 17.614 1.00 0.00 H new ATOM 0 HA3 GLY A 93 36.944 -12.558 16.522 1.00 0.00 H new TER 1426 GLY A 93 HETATM 1427 ZN ZN A 401 -15.293 3.266 4.178 1.00 0.00 ZN HETATM 1428 ZN ZN A 501 -17.217 -2.947 7.284 1.00 0.00 ZN HETATM 1429 ZN ZN A 601 -2.122 -4.991 2.983 1.00 0.00 ZN HETATM 1430 ZN ZN A 701 19.364 0.020 4.450 1.00 0.00 ZN