USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=19 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 Set 1.1: A 62 ASN :FLIP amide:sc= -10.8! C(o=-11!,f=-11!) USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.13) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 25:sc= 1.17 USER MOD Single : A -2 SER OG : rot 34:sc= 0.897 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ 136:sc= 0.0241 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.065) 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 102:sc= 0.0122 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -51:sc=-0.000173 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 38:sc= 0.0128 USER MOD Single : A 71 MET CE :methyl -163:sc= -0.81 (180deg=-1.55) USER MOD Single : A 74 ASN : amide:sc= -1.99 K(o=-2,f=-7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -174:sc= 0 (180deg=-0.0103) 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 -22.468 36.499 -22.740 1.00 0.00 N ATOM 2 CA GLY A -6 -21.297 35.710 -22.406 1.00 0.00 C ATOM 3 C GLY A -6 -21.001 35.713 -20.919 1.00 0.00 C ATOM 4 O GLY A -6 -21.233 36.709 -20.235 1.00 0.00 O ATOM 0 H1 GLY A -6 -22.268 37.078 -23.581 1.00 0.00 H new ATOM 0 H2 GLY A -6 -23.269 35.865 -22.938 1.00 0.00 H new ATOM 0 H3 GLY A -6 -22.708 37.120 -21.941 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -21.446 34.684 -22.742 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -20.434 36.100 -22.946 1.00 0.00 H new ATOM 8 N SER A -5 -20.489 34.593 -20.417 1.00 0.00 N ATOM 9 CA SER A -5 -20.167 34.468 -19.000 1.00 0.00 C ATOM 10 C SER A -5 -19.009 33.497 -18.791 1.00 0.00 C ATOM 11 O SER A -5 -18.703 32.682 -19.661 1.00 0.00 O ATOM 12 CB SER A -5 -21.393 33.995 -18.216 1.00 0.00 C ATOM 13 OG SER A -5 -21.830 32.726 -18.671 1.00 0.00 O ATOM 0 H SER A -5 -20.288 33.760 -20.970 1.00 0.00 H new ATOM 0 HA SER A -5 -19.867 35.449 -18.632 1.00 0.00 H new ATOM 0 HB2 SER A -5 -21.151 33.941 -17.155 1.00 0.00 H new ATOM 0 HB3 SER A -5 -22.199 34.721 -18.323 1.00 0.00 H new ATOM 0 HG SER A -5 -22.613 32.445 -18.153 1.00 0.00 H new ATOM 19 N SER A -4 -18.369 33.591 -17.629 1.00 0.00 N ATOM 20 CA SER A -4 -17.243 32.724 -17.305 1.00 0.00 C ATOM 21 C SER A -4 -17.244 32.363 -15.823 1.00 0.00 C ATOM 22 O SER A -4 -17.498 33.208 -14.966 1.00 0.00 O ATOM 23 CB SER A -4 -15.924 33.406 -17.674 1.00 0.00 C ATOM 24 OG SER A -4 -15.848 33.648 -19.068 1.00 0.00 O ATOM 0 H SER A -4 -18.612 34.259 -16.897 1.00 0.00 H new ATOM 0 HA SER A -4 -17.344 31.807 -17.885 1.00 0.00 H new ATOM 0 HB2 SER A -4 -15.834 34.348 -17.133 1.00 0.00 H new ATOM 0 HB3 SER A -4 -15.088 32.779 -17.364 1.00 0.00 H new ATOM 0 HG SER A -4 -14.997 34.086 -19.278 1.00 0.00 H new ATOM 30 N GLY A -3 -16.957 31.098 -15.528 1.00 0.00 N ATOM 31 CA GLY A -3 -16.931 30.646 -14.149 1.00 0.00 C ATOM 32 C GLY A -3 -16.879 29.135 -14.036 1.00 0.00 C ATOM 33 O GLY A -3 -17.566 28.426 -14.771 1.00 0.00 O ATOM 0 H GLY A -3 -16.742 30.379 -16.219 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -16.065 31.075 -13.645 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -17.816 31.016 -13.632 1.00 0.00 H new ATOM 37 N SER A -2 -16.061 28.640 -13.112 1.00 0.00 N ATOM 38 CA SER A -2 -15.918 27.203 -12.908 1.00 0.00 C ATOM 39 C SER A -2 -15.285 26.907 -11.552 1.00 0.00 C ATOM 40 O SER A -2 -14.336 27.573 -11.139 1.00 0.00 O ATOM 41 CB SER A -2 -15.070 26.591 -14.024 1.00 0.00 C ATOM 42 OG SER A -2 -15.872 26.234 -15.137 1.00 0.00 O ATOM 0 H SER A -2 -15.487 29.213 -12.493 1.00 0.00 H new ATOM 0 HA SER A -2 -16.912 26.757 -12.930 1.00 0.00 H new ATOM 0 HB2 SER A -2 -14.306 27.303 -14.336 1.00 0.00 H new ATOM 0 HB3 SER A -2 -14.551 25.709 -13.648 1.00 0.00 H new ATOM 0 HG SER A -2 -16.606 26.877 -15.231 1.00 0.00 H new ATOM 48 N SER A -1 -15.819 25.903 -10.864 1.00 0.00 N ATOM 49 CA SER A -1 -15.310 25.520 -9.552 1.00 0.00 C ATOM 50 C SER A -1 -15.907 24.190 -9.105 1.00 0.00 C ATOM 51 O SER A -1 -16.805 23.651 -9.750 1.00 0.00 O ATOM 52 CB SER A -1 -15.626 26.606 -8.522 1.00 0.00 C ATOM 53 OG SER A -1 -14.667 27.649 -8.569 1.00 0.00 O ATOM 0 H SER A -1 -16.604 25.340 -11.193 1.00 0.00 H new ATOM 0 HA SER A -1 -14.229 25.405 -9.628 1.00 0.00 H new ATOM 0 HB2 SER A -1 -16.620 27.013 -8.711 1.00 0.00 H new ATOM 0 HB3 SER A -1 -15.645 26.170 -7.523 1.00 0.00 H new ATOM 0 HG SER A -1 -14.259 27.678 -9.460 1.00 0.00 H new ATOM 59 N GLY A 0 -15.400 23.664 -7.993 1.00 0.00 N ATOM 60 CA GLY A 0 -15.895 22.401 -7.478 1.00 0.00 C ATOM 61 C GLY A 0 -15.068 21.885 -6.317 1.00 0.00 C ATOM 62 O GLY A 0 -13.838 21.905 -6.365 1.00 0.00 O ATOM 0 H GLY A 0 -14.656 24.090 -7.441 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -16.930 22.523 -7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -15.895 21.661 -8.278 1.00 0.00 H new ATOM 66 N MET A 1 -15.743 21.422 -5.270 1.00 0.00 N ATOM 67 CA MET A 1 -15.062 20.899 -4.092 1.00 0.00 C ATOM 68 C MET A 1 -15.508 19.470 -3.796 1.00 0.00 C ATOM 69 O MET A 1 -16.687 19.217 -3.555 1.00 0.00 O ATOM 70 CB MET A 1 -15.334 21.792 -2.880 1.00 0.00 C ATOM 71 CG MET A 1 -14.321 22.913 -2.712 1.00 0.00 C ATOM 72 SD MET A 1 -15.031 24.381 -1.942 1.00 0.00 S ATOM 73 CE MET A 1 -14.769 25.599 -3.228 1.00 0.00 C ATOM 0 H MET A 1 -16.761 21.398 -5.214 1.00 0.00 H new ATOM 0 HA MET A 1 -13.991 20.892 -4.295 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.330 22.224 -2.974 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.337 21.178 -1.980 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.488 22.557 -2.106 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.915 23.180 -3.688 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.157 26.563 -2.900 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.702 25.688 -3.433 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.288 25.288 -4.135 1.00 0.00 H new ATOM 83 N GLU A 2 -14.556 18.542 -3.816 1.00 0.00 N ATOM 84 CA GLU A 2 -14.853 17.139 -3.550 1.00 0.00 C ATOM 85 C GLU A 2 -13.792 16.520 -2.645 1.00 0.00 C ATOM 86 O GLU A 2 -12.611 16.484 -2.991 1.00 0.00 O ATOM 87 CB GLU A 2 -14.940 16.356 -4.862 1.00 0.00 C ATOM 88 CG GLU A 2 -13.676 16.432 -5.701 1.00 0.00 C ATOM 89 CD GLU A 2 -13.800 15.680 -7.012 1.00 0.00 C ATOM 90 OE1 GLU A 2 -14.750 15.963 -7.771 1.00 0.00 O ATOM 91 OE2 GLU A 2 -12.946 14.808 -7.278 1.00 0.00 O ATOM 0 H GLU A 2 -13.574 18.736 -4.013 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.815 17.088 -3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -15.155 15.311 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -15.778 16.736 -5.447 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -13.443 17.477 -5.906 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -12.841 16.025 -5.131 1.00 0.00 H new ATOM 98 N GLU A 3 -14.221 16.036 -1.484 1.00 0.00 N ATOM 99 CA GLU A 3 -13.308 15.420 -0.529 1.00 0.00 C ATOM 100 C GLU A 3 -14.013 14.329 0.272 1.00 0.00 C ATOM 101 O GLU A 3 -15.095 14.545 0.815 1.00 0.00 O ATOM 102 CB GLU A 3 -12.738 16.476 0.419 1.00 0.00 C ATOM 103 CG GLU A 3 -11.486 17.157 -0.109 1.00 0.00 C ATOM 104 CD GLU A 3 -11.316 18.564 0.429 1.00 0.00 C ATOM 105 OE1 GLU A 3 -12.267 19.365 0.306 1.00 0.00 O ATOM 106 OE2 GLU A 3 -10.233 18.866 0.972 1.00 0.00 O ATOM 0 H GLU A 3 -15.195 16.059 -1.182 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.491 14.965 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -13.500 17.232 0.608 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -12.510 16.007 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -10.613 16.562 0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.527 17.191 -1.198 1.00 0.00 H new ATOM 113 N GLU A 4 -13.389 13.156 0.340 1.00 0.00 N ATOM 114 CA GLU A 4 -13.957 12.031 1.073 1.00 0.00 C ATOM 115 C GLU A 4 -13.349 11.928 2.468 1.00 0.00 C ATOM 116 O GLU A 4 -12.143 12.107 2.647 1.00 0.00 O ATOM 117 CB GLU A 4 -13.728 10.726 0.307 1.00 0.00 C ATOM 118 CG GLU A 4 -14.534 9.556 0.844 1.00 0.00 C ATOM 119 CD GLU A 4 -16.028 9.740 0.656 1.00 0.00 C ATOM 120 OE1 GLU A 4 -16.636 10.495 1.443 1.00 0.00 O ATOM 121 OE2 GLU A 4 -16.587 9.130 -0.279 1.00 0.00 O ATOM 0 H GLU A 4 -12.491 12.961 -0.103 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.029 12.201 1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.982 10.881 -0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -12.668 10.474 0.344 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.218 8.642 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.318 9.428 1.905 1.00 0.00 H new ATOM 128 N LEU A 5 -14.191 11.639 3.454 1.00 0.00 N ATOM 129 CA LEU A 5 -13.737 11.512 4.835 1.00 0.00 C ATOM 130 C LEU A 5 -14.026 10.116 5.377 1.00 0.00 C ATOM 131 O LEU A 5 -14.648 9.295 4.703 1.00 0.00 O ATOM 132 CB LEU A 5 -14.415 12.564 5.714 1.00 0.00 C ATOM 133 CG LEU A 5 -14.064 14.021 5.410 1.00 0.00 C ATOM 134 CD1 LEU A 5 -14.881 14.960 6.284 1.00 0.00 C ATOM 135 CD2 LEU A 5 -12.575 14.263 5.609 1.00 0.00 C ATOM 0 H LEU A 5 -15.191 11.488 3.323 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.659 11.672 4.854 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -15.494 12.445 5.622 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.159 12.359 6.754 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.308 14.224 4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -14.618 15.992 6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.943 14.805 6.092 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -14.669 14.757 7.334 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.343 15.305 5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -12.305 14.042 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -12.009 13.616 4.940 1.00 0.00 H new ATOM 147 N GLN A 6 -13.574 9.856 6.600 1.00 0.00 N ATOM 148 CA GLN A 6 -13.786 8.560 7.233 1.00 0.00 C ATOM 149 C GLN A 6 -15.261 8.174 7.202 1.00 0.00 C ATOM 150 O GLN A 6 -16.122 8.994 6.879 1.00 0.00 O ATOM 151 CB GLN A 6 -13.283 8.585 8.677 1.00 0.00 C ATOM 152 CG GLN A 6 -11.777 8.422 8.800 1.00 0.00 C ATOM 153 CD GLN A 6 -11.334 6.977 8.681 1.00 0.00 C ATOM 154 OE1 GLN A 6 -11.129 6.294 9.684 1.00 0.00 O ATOM 155 NE2 GLN A 6 -11.185 6.503 7.449 1.00 0.00 N ATOM 0 H GLN A 6 -13.059 10.526 7.172 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.222 7.814 6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.577 9.528 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.773 7.789 9.237 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.287 9.013 8.026 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.450 8.820 9.760 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -11.366 7.105 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.890 5.537 7.306 1.00 0.00 H new ATOM 164 N HIS A 7 -15.548 6.921 7.541 1.00 0.00 N ATOM 165 CA HIS A 7 -16.920 6.426 7.552 1.00 0.00 C ATOM 166 C HIS A 7 -17.349 6.048 8.967 1.00 0.00 C ATOM 167 O HIS A 7 -16.611 5.382 9.693 1.00 0.00 O ATOM 168 CB HIS A 7 -17.057 5.219 6.625 1.00 0.00 C ATOM 169 CG HIS A 7 -17.161 5.584 5.177 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.589 4.837 4.169 1.00 0.00 N ATOM 171 CD2 HIS A 7 -17.778 6.624 4.568 1.00 0.00 C ATOM 172 CE1 HIS A 7 -16.847 5.403 3.003 1.00 0.00 C ATOM 173 NE2 HIS A 7 -17.568 6.489 3.218 1.00 0.00 N ATOM 0 H HIS A 7 -14.848 6.230 7.812 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.571 7.224 7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.197 4.564 6.765 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.941 4.650 6.912 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -18.332 7.413 5.054 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.524 5.040 2.039 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.913 7.124 2.498 1.00 0.00 H new ATOM 181 N SER A 8 -18.547 6.478 9.352 1.00 0.00 N ATOM 182 CA SER A 8 -19.072 6.188 10.681 1.00 0.00 C ATOM 183 C SER A 8 -19.075 4.686 10.948 1.00 0.00 C ATOM 184 O SER A 8 -18.916 4.247 12.087 1.00 0.00 O ATOM 185 CB SER A 8 -20.489 6.746 10.825 1.00 0.00 C ATOM 186 OG SER A 8 -20.464 8.097 11.253 1.00 0.00 O ATOM 0 H SER A 8 -19.172 7.028 8.762 1.00 0.00 H new ATOM 0 HA SER A 8 -18.424 6.668 11.414 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.011 6.673 9.871 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.049 6.145 11.541 1.00 0.00 H new ATOM 0 HG SER A 8 -21.382 8.431 11.336 1.00 0.00 H new ATOM 192 N HIS A 9 -19.257 3.904 9.889 1.00 0.00 N ATOM 193 CA HIS A 9 -19.281 2.450 10.008 1.00 0.00 C ATOM 194 C HIS A 9 -17.867 1.879 9.970 1.00 0.00 C ATOM 195 O HIS A 9 -17.363 1.373 10.973 1.00 0.00 O ATOM 196 CB HIS A 9 -20.121 1.839 8.887 1.00 0.00 C ATOM 197 CG HIS A 9 -19.821 0.394 8.633 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.370 -0.631 9.374 1.00 0.00 N ATOM 199 CD2 HIS A 9 -19.024 -0.196 7.711 1.00 0.00 C ATOM 200 CE1 HIS A 9 -19.923 -1.788 8.921 1.00 0.00 C ATOM 201 NE2 HIS A 9 -19.105 -1.553 7.912 1.00 0.00 N ATOM 0 H HIS A 9 -19.390 4.252 8.939 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.731 2.196 10.968 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.177 1.944 9.137 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.953 2.403 7.970 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -21.020 -0.514 10.151 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.435 0.306 6.958 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.183 -2.761 9.310 1.00 0.00 H new ATOM 209 N CYS A 10 -17.231 1.963 8.806 1.00 0.00 N ATOM 210 CA CYS A 10 -15.876 1.454 8.635 1.00 0.00 C ATOM 211 C CYS A 10 -15.012 1.791 9.847 1.00 0.00 C ATOM 212 O CYS A 10 -14.303 0.935 10.376 1.00 0.00 O ATOM 213 CB CYS A 10 -15.246 2.035 7.368 1.00 0.00 C ATOM 214 SG CYS A 10 -16.250 1.805 5.866 1.00 0.00 S ATOM 0 H CYS A 10 -17.633 2.379 7.966 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.931 0.370 8.540 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.073 3.101 7.517 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.271 1.572 7.215 1.00 0.00 H new ATOM 219 N VAL A 11 -15.076 3.046 10.282 1.00 0.00 N ATOM 220 CA VAL A 11 -14.301 3.497 11.431 1.00 0.00 C ATOM 221 C VAL A 11 -14.320 2.460 12.548 1.00 0.00 C ATOM 222 O VAL A 11 -13.298 2.192 13.178 1.00 0.00 O ATOM 223 CB VAL A 11 -14.835 4.834 11.978 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.484 5.975 11.035 1.00 0.00 C ATOM 225 CG2 VAL A 11 -16.338 4.757 12.198 1.00 0.00 C ATOM 0 H VAL A 11 -15.657 3.768 9.856 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.276 3.637 11.086 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.360 5.029 12.939 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.869 6.912 11.438 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.401 6.042 10.933 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -14.930 5.790 10.058 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.698 5.710 12.585 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.833 4.538 11.252 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.561 3.967 12.915 1.00 0.00 H new ATOM 235 N ASN A 12 -15.491 1.878 12.788 1.00 0.00 N ATOM 236 CA ASN A 12 -15.644 0.869 13.830 1.00 0.00 C ATOM 237 C ASN A 12 -15.916 -0.503 13.222 1.00 0.00 C ATOM 238 O ASN A 12 -16.735 -1.269 13.732 1.00 0.00 O ATOM 239 CB ASN A 12 -16.781 1.254 14.779 1.00 0.00 C ATOM 240 CG ASN A 12 -16.597 2.639 15.370 1.00 0.00 C ATOM 241 OD1 ASN A 12 -15.549 2.951 15.934 1.00 0.00 O ATOM 242 ND2 ASN A 12 -17.620 3.476 15.242 1.00 0.00 N ATOM 0 H ASN A 12 -16.347 2.088 12.275 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.712 0.819 14.393 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.728 1.214 14.241 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.841 0.523 15.585 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.556 4.421 15.619 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.470 3.173 14.766 1.00 0.00 H new ATOM 249 N CYS A 13 -15.223 -0.809 12.130 1.00 0.00 N ATOM 250 CA CYS A 13 -15.389 -2.088 11.452 1.00 0.00 C ATOM 251 C CYS A 13 -14.043 -2.785 11.269 1.00 0.00 C ATOM 252 O CYS A 13 -13.110 -2.217 10.703 1.00 0.00 O ATOM 253 CB CYS A 13 -16.060 -1.885 10.092 1.00 0.00 C ATOM 254 SG CYS A 13 -16.465 -3.435 9.224 1.00 0.00 S ATOM 0 H CYS A 13 -14.541 -0.187 11.696 1.00 0.00 H new ATOM 0 HA CYS A 13 -16.025 -2.720 12.072 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.975 -1.310 10.233 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.403 -1.288 9.460 1.00 0.00 H new ATOM 259 N VAL A 14 -13.952 -4.020 11.752 1.00 0.00 N ATOM 260 CA VAL A 14 -12.723 -4.796 11.641 1.00 0.00 C ATOM 261 C VAL A 14 -12.998 -6.185 11.078 1.00 0.00 C ATOM 262 O VAL A 14 -12.265 -7.135 11.353 1.00 0.00 O ATOM 263 CB VAL A 14 -12.023 -4.936 13.005 1.00 0.00 C ATOM 264 CG1 VAL A 14 -11.755 -3.567 13.612 1.00 0.00 C ATOM 265 CG2 VAL A 14 -12.857 -5.791 13.947 1.00 0.00 C ATOM 0 H VAL A 14 -14.715 -4.505 12.224 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.068 -4.255 10.958 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.065 -5.433 12.852 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.260 -3.687 14.576 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.114 -2.992 12.944 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.699 -3.040 13.752 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.347 -5.879 14.906 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.831 -5.325 14.096 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.992 -6.783 13.515 1.00 0.00 H new ATOM 275 N SER A 15 -14.061 -6.297 10.287 1.00 0.00 N ATOM 276 CA SER A 15 -14.436 -7.572 9.687 1.00 0.00 C ATOM 277 C SER A 15 -13.949 -7.658 8.244 1.00 0.00 C ATOM 278 O SER A 15 -14.257 -6.795 7.421 1.00 0.00 O ATOM 279 CB SER A 15 -15.954 -7.756 9.737 1.00 0.00 C ATOM 280 OG SER A 15 -16.356 -8.884 8.978 1.00 0.00 O ATOM 0 H SER A 15 -14.677 -5.520 10.047 1.00 0.00 H new ATOM 0 HA SER A 15 -13.961 -8.369 10.260 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.275 -7.877 10.772 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.445 -6.862 9.353 1.00 0.00 H new ATOM 0 HG SER A 15 -17.330 -8.981 9.027 1.00 0.00 H new ATOM 286 N ARG A 16 -13.187 -8.705 7.944 1.00 0.00 N ATOM 287 CA ARG A 16 -12.656 -8.904 6.601 1.00 0.00 C ATOM 288 C ARG A 16 -13.784 -9.110 5.595 1.00 0.00 C ATOM 289 O ARG A 16 -13.858 -8.418 4.580 1.00 0.00 O ATOM 290 CB ARG A 16 -11.711 -10.106 6.577 1.00 0.00 C ATOM 291 CG ARG A 16 -10.261 -9.747 6.859 1.00 0.00 C ATOM 292 CD ARG A 16 -9.983 -9.683 8.352 1.00 0.00 C ATOM 293 NE ARG A 16 -8.727 -9.000 8.647 1.00 0.00 N ATOM 294 CZ ARG A 16 -8.422 -8.505 9.841 1.00 0.00 C ATOM 295 NH1 ARG A 16 -9.277 -8.617 10.847 1.00 0.00 N ATOM 296 NH2 ARG A 16 -7.258 -7.896 10.031 1.00 0.00 N ATOM 0 H ARG A 16 -12.924 -9.428 8.613 1.00 0.00 H new ATOM 0 HA ARG A 16 -12.102 -8.009 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.046 -10.835 7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.774 -10.587 5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.606 -10.486 6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.028 -8.785 6.403 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.802 -9.166 8.851 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.950 -10.694 8.758 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.046 -8.897 7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.172 -9.085 10.706 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.040 -8.236 11.763 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.597 -7.808 9.259 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.025 -7.516 10.949 1.00 0.00 H new ATOM 310 N ARG A 17 -14.661 -10.065 5.885 1.00 0.00 N ATOM 311 CA ARG A 17 -15.785 -10.364 5.004 1.00 0.00 C ATOM 312 C ARG A 17 -17.014 -9.550 5.398 1.00 0.00 C ATOM 313 O ARG A 17 -18.148 -10.004 5.242 1.00 0.00 O ATOM 314 CB ARG A 17 -16.113 -11.857 5.049 1.00 0.00 C ATOM 315 CG ARG A 17 -15.052 -12.733 4.403 1.00 0.00 C ATOM 316 CD ARG A 17 -13.988 -13.151 5.406 1.00 0.00 C ATOM 317 NE ARG A 17 -14.361 -14.365 6.127 1.00 0.00 N ATOM 318 CZ ARG A 17 -13.781 -14.758 7.255 1.00 0.00 C ATOM 319 NH1 ARG A 17 -12.805 -14.036 7.788 1.00 0.00 N ATOM 320 NH2 ARG A 17 -14.177 -15.875 7.852 1.00 0.00 N ATOM 0 H ARG A 17 -14.616 -10.645 6.723 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.500 -10.093 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.240 -12.161 6.088 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.066 -12.026 4.548 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.521 -13.620 3.977 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.585 -12.193 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.044 -13.314 4.886 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.824 -12.342 6.118 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.108 -14.943 5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.498 -13.177 7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.361 -14.340 8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.928 -16.433 7.444 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.731 -16.176 8.718 1.00 0.00 H new ATOM 334 N CYS A 18 -16.782 -8.346 5.909 1.00 0.00 N ATOM 335 CA CYS A 18 -17.869 -7.469 6.326 1.00 0.00 C ATOM 336 C CYS A 18 -19.040 -7.554 5.352 1.00 0.00 C ATOM 337 O CYS A 18 -18.985 -7.009 4.250 1.00 0.00 O ATOM 338 CB CYS A 18 -17.377 -6.023 6.424 1.00 0.00 C ATOM 339 SG CYS A 18 -18.711 -4.793 6.584 1.00 0.00 S ATOM 0 H CYS A 18 -15.850 -7.955 6.044 1.00 0.00 H new ATOM 0 HA CYS A 18 -18.211 -7.797 7.308 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.711 -5.935 7.282 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -16.787 -5.790 5.537 1.00 0.00 H new ATOM 344 N MET A 19 -20.099 -8.241 5.768 1.00 0.00 N ATOM 345 CA MET A 19 -21.285 -8.396 4.933 1.00 0.00 C ATOM 346 C MET A 19 -22.298 -7.292 5.218 1.00 0.00 C ATOM 347 O MET A 19 -23.495 -7.552 5.346 1.00 0.00 O ATOM 348 CB MET A 19 -21.925 -9.765 5.168 1.00 0.00 C ATOM 349 CG MET A 19 -20.941 -10.920 5.076 1.00 0.00 C ATOM 350 SD MET A 19 -20.195 -11.326 6.667 1.00 0.00 S ATOM 351 CE MET A 19 -20.007 -13.100 6.510 1.00 0.00 C ATOM 0 H MET A 19 -20.160 -8.699 6.677 1.00 0.00 H new ATOM 0 HA MET A 19 -20.977 -8.322 3.890 1.00 0.00 H new ATOM 0 HB2 MET A 19 -22.392 -9.774 6.153 1.00 0.00 H new ATOM 0 HB3 MET A 19 -22.719 -9.916 4.437 1.00 0.00 H new ATOM 0 HG2 MET A 19 -21.454 -11.799 4.685 1.00 0.00 H new ATOM 0 HG3 MET A 19 -20.155 -10.667 4.365 1.00 0.00 H new ATOM 0 HE1 MET A 19 -19.557 -13.500 7.419 1.00 0.00 H new ATOM 0 HE2 MET A 19 -20.985 -13.557 6.358 1.00 0.00 H new ATOM 0 HE3 MET A 19 -19.365 -13.324 5.658 1.00 0.00 H new ATOM 361 N THR A 20 -21.812 -6.059 5.316 1.00 0.00 N ATOM 362 CA THR A 20 -22.675 -4.916 5.587 1.00 0.00 C ATOM 363 C THR A 20 -22.960 -4.128 4.313 1.00 0.00 C ATOM 364 O THR A 20 -22.044 -3.785 3.566 1.00 0.00 O ATOM 365 CB THR A 20 -22.048 -3.973 6.631 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.951 -4.638 7.895 1.00 0.00 O ATOM 367 CG2 THR A 20 -22.874 -2.705 6.780 1.00 0.00 C ATOM 0 H THR A 20 -20.824 -5.826 5.212 1.00 0.00 H new ATOM 0 HA THR A 20 -23.610 -5.313 5.982 1.00 0.00 H new ATOM 0 HB THR A 20 -21.050 -3.698 6.288 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.027 -4.929 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.412 -2.055 7.523 1.00 0.00 H new ATOM 0 HG22 THR A 20 -22.921 -2.187 5.822 1.00 0.00 H new ATOM 0 HG23 THR A 20 -23.883 -2.964 7.102 1.00 0.00 H new ATOM 375 N ARG A 21 -24.236 -3.844 4.072 1.00 0.00 N ATOM 376 CA ARG A 21 -24.641 -3.096 2.887 1.00 0.00 C ATOM 377 C ARG A 21 -23.880 -1.777 2.791 1.00 0.00 C ATOM 378 O ARG A 21 -24.007 -0.896 3.641 1.00 0.00 O ATOM 379 CB ARG A 21 -26.147 -2.828 2.918 1.00 0.00 C ATOM 380 CG ARG A 21 -26.619 -1.878 1.829 1.00 0.00 C ATOM 381 CD ARG A 21 -26.896 -2.616 0.528 1.00 0.00 C ATOM 382 NE ARG A 21 -27.971 -3.593 0.672 1.00 0.00 N ATOM 383 CZ ARG A 21 -28.661 -4.082 -0.353 1.00 0.00 C ATOM 384 NH1 ARG A 21 -28.389 -3.687 -1.589 1.00 0.00 N ATOM 385 NH2 ARG A 21 -29.626 -4.969 -0.142 1.00 0.00 N ATOM 0 H ARG A 21 -25.006 -4.120 4.681 1.00 0.00 H new ATOM 0 HA ARG A 21 -24.404 -3.697 2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.678 -3.775 2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -26.414 -2.414 3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -27.523 -1.366 2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -25.863 -1.112 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -27.161 -1.897 -0.247 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -25.989 -3.121 0.198 1.00 0.00 H new ATOM 0 HE ARG A 21 -28.205 -3.918 1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -27.648 -3.006 -1.755 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -28.920 -4.064 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -29.838 -5.276 0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -30.155 -5.344 -0.929 1.00 0.00 H new ATOM 399 N PRO A 22 -23.071 -1.637 1.730 1.00 0.00 N ATOM 400 CA PRO A 22 -22.274 -0.429 1.497 1.00 0.00 C ATOM 401 C PRO A 22 -23.136 0.771 1.121 1.00 0.00 C ATOM 402 O PRO A 22 -23.643 0.854 0.003 1.00 0.00 O ATOM 403 CB PRO A 22 -21.366 -0.823 0.329 1.00 0.00 C ATOM 404 CG PRO A 22 -22.110 -1.900 -0.382 1.00 0.00 C ATOM 405 CD PRO A 22 -22.871 -2.647 0.678 1.00 0.00 C ATOM 0 HA PRO A 22 -21.732 -0.120 2.391 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.175 0.026 -0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.398 -1.177 0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.787 -1.481 -1.126 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.426 -2.563 -0.911 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.820 -3.026 0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.309 -3.505 1.047 1.00 0.00 H new ATOM 413 N GLU A 23 -23.297 1.697 2.061 1.00 0.00 N ATOM 414 CA GLU A 23 -24.099 2.892 1.826 1.00 0.00 C ATOM 415 C GLU A 23 -23.247 4.012 1.236 1.00 0.00 C ATOM 416 O GLU A 23 -22.017 3.990 1.300 1.00 0.00 O ATOM 417 CB GLU A 23 -24.748 3.362 3.129 1.00 0.00 C ATOM 418 CG GLU A 23 -26.124 2.765 3.373 1.00 0.00 C ATOM 419 CD GLU A 23 -26.968 2.710 2.114 1.00 0.00 C ATOM 420 OE1 GLU A 23 -26.879 1.699 1.386 1.00 0.00 O ATOM 421 OE2 GLU A 23 -27.716 3.676 1.857 1.00 0.00 O ATOM 0 H GLU A 23 -22.883 1.643 2.992 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.881 2.639 1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -24.096 3.104 3.964 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.830 4.449 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -26.013 1.758 3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.643 3.355 4.128 1.00 0.00 H new ATOM 428 N PRO A 24 -23.914 5.015 0.647 1.00 0.00 N ATOM 429 CA PRO A 24 -23.238 6.163 0.035 1.00 0.00 C ATOM 430 C PRO A 24 -22.588 7.073 1.071 1.00 0.00 C ATOM 431 O PRO A 24 -22.176 8.190 0.759 1.00 0.00 O ATOM 432 CB PRO A 24 -24.371 6.898 -0.686 1.00 0.00 C ATOM 433 CG PRO A 24 -25.605 6.514 0.056 1.00 0.00 C ATOM 434 CD PRO A 24 -25.379 5.107 0.534 1.00 0.00 C ATOM 0 HA PRO A 24 -22.425 5.854 -0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -24.218 7.977 -0.667 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -24.431 6.603 -1.733 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.782 7.187 0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -26.482 6.571 -0.589 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.868 4.925 1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -25.774 4.375 -0.170 1.00 0.00 H new ATOM 442 N GLY A 25 -22.499 6.588 2.306 1.00 0.00 N ATOM 443 CA GLY A 25 -21.897 7.371 3.369 1.00 0.00 C ATOM 444 C GLY A 25 -21.496 6.522 4.559 1.00 0.00 C ATOM 445 O GLY A 25 -20.346 6.559 4.997 1.00 0.00 O ATOM 0 H GLY A 25 -22.833 5.667 2.589 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.018 7.888 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.600 8.138 3.694 1.00 0.00 H new ATOM 449 N ILE A 26 -22.447 5.757 5.085 1.00 0.00 N ATOM 450 CA ILE A 26 -22.187 4.897 6.232 1.00 0.00 C ATOM 451 C ILE A 26 -21.092 3.882 5.921 1.00 0.00 C ATOM 452 O ILE A 26 -19.943 4.048 6.333 1.00 0.00 O ATOM 453 CB ILE A 26 -23.457 4.144 6.671 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.472 5.120 7.272 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.108 3.052 7.671 1.00 0.00 C ATOM 456 CD1 ILE A 26 -24.894 6.216 6.319 1.00 0.00 C ATOM 0 H ILE A 26 -23.404 5.716 4.735 1.00 0.00 H new ATOM 0 HA ILE A 26 -21.859 5.546 7.044 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.905 3.676 5.794 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.355 4.564 7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.043 5.572 8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.016 2.530 7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.418 2.345 7.211 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.639 3.498 8.548 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -25.614 6.870 6.812 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.020 6.796 6.022 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -25.353 5.773 5.435 1.00 0.00 H new ATOM 468 N SER A 27 -21.454 2.833 5.190 1.00 0.00 N ATOM 469 CA SER A 27 -20.502 1.790 4.825 1.00 0.00 C ATOM 470 C SER A 27 -20.172 1.853 3.337 1.00 0.00 C ATOM 471 O SER A 27 -20.987 2.295 2.526 1.00 0.00 O ATOM 472 CB SER A 27 -21.064 0.412 5.177 1.00 0.00 C ATOM 473 OG SER A 27 -20.200 -0.620 4.733 1.00 0.00 O ATOM 0 H SER A 27 -22.400 2.682 4.839 1.00 0.00 H new ATOM 0 HA SER A 27 -19.585 1.955 5.390 1.00 0.00 H new ATOM 0 HB2 SER A 27 -21.201 0.337 6.256 1.00 0.00 H new ATOM 0 HB3 SER A 27 -22.046 0.289 4.721 1.00 0.00 H new ATOM 0 HG SER A 27 -20.581 -1.491 4.972 1.00 0.00 H new ATOM 479 N CYS A 28 -18.971 1.408 2.984 1.00 0.00 N ATOM 480 CA CYS A 28 -18.530 1.413 1.595 1.00 0.00 C ATOM 481 C CYS A 28 -18.069 0.023 1.165 1.00 0.00 C ATOM 482 O CYS A 28 -17.919 -0.876 1.993 1.00 0.00 O ATOM 483 CB CYS A 28 -17.395 2.421 1.401 1.00 0.00 C ATOM 484 SG CYS A 28 -15.832 1.943 2.204 1.00 0.00 S ATOM 0 H CYS A 28 -18.285 1.039 3.642 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.376 1.705 0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.218 2.551 0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.711 3.388 1.792 1.00 0.00 H new ATOM 489 N ASP A 29 -17.847 -0.145 -0.133 1.00 0.00 N ATOM 490 CA ASP A 29 -17.402 -1.425 -0.674 1.00 0.00 C ATOM 491 C ASP A 29 -16.041 -1.812 -0.103 1.00 0.00 C ATOM 492 O ASP A 29 -15.297 -0.962 0.388 1.00 0.00 O ATOM 493 CB ASP A 29 -17.329 -1.361 -2.200 1.00 0.00 C ATOM 494 CG ASP A 29 -18.543 -0.688 -2.810 1.00 0.00 C ATOM 495 OD1 ASP A 29 -19.655 -0.875 -2.275 1.00 0.00 O ATOM 496 OD2 ASP A 29 -18.380 0.025 -3.823 1.00 0.00 O ATOM 0 H ASP A 29 -17.968 0.589 -0.831 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.127 -2.185 -0.385 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.430 -0.820 -2.495 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.238 -2.371 -2.599 1.00 0.00 H new ATOM 501 N LEU A 30 -15.722 -3.100 -0.169 1.00 0.00 N ATOM 502 CA LEU A 30 -14.451 -3.601 0.342 1.00 0.00 C ATOM 503 C LEU A 30 -13.493 -3.921 -0.801 1.00 0.00 C ATOM 504 O LEU A 30 -13.919 -4.264 -1.904 1.00 0.00 O ATOM 505 CB LEU A 30 -14.679 -4.848 1.197 1.00 0.00 C ATOM 506 CG LEU A 30 -15.006 -4.602 2.670 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.718 -5.805 3.267 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.739 -4.288 3.453 1.00 0.00 C ATOM 0 H LEU A 30 -16.326 -3.816 -0.571 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.003 -2.822 0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.494 -5.422 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.785 -5.469 1.143 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.672 -3.742 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.943 -5.611 4.316 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.646 -5.985 2.724 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.077 -6.683 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.991 -4.116 4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.048 -5.128 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.269 -3.395 3.041 1.00 0.00 H new ATOM 520 N ILE A 31 -12.197 -3.809 -0.528 1.00 0.00 N ATOM 521 CA ILE A 31 -11.179 -4.090 -1.533 1.00 0.00 C ATOM 522 C ILE A 31 -9.916 -4.656 -0.892 1.00 0.00 C ATOM 523 O ILE A 31 -9.365 -4.072 0.040 1.00 0.00 O ATOM 524 CB ILE A 31 -10.813 -2.826 -2.333 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.376 -1.706 -1.386 1.00 0.00 C ATOM 526 CG2 ILE A 31 -11.992 -2.378 -3.183 1.00 0.00 C ATOM 527 CD1 ILE A 31 -8.893 -1.714 -1.086 1.00 0.00 C ATOM 0 H ILE A 31 -11.828 -3.526 0.380 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.602 -4.830 -2.213 1.00 0.00 H new ATOM 0 HB ILE A 31 -9.981 -3.061 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.645 -0.745 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.928 -1.796 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.718 -1.484 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.262 -3.173 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.842 -2.156 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.654 -0.894 -0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.621 -2.661 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.333 -1.594 -2.014 1.00 0.00 H new ATOM 539 N GLY A 32 -9.461 -5.798 -1.400 1.00 0.00 N ATOM 540 CA GLY A 32 -8.266 -6.423 -0.867 1.00 0.00 C ATOM 541 C GLY A 32 -7.016 -5.610 -1.139 1.00 0.00 C ATOM 542 O GLY A 32 -6.861 -5.038 -2.218 1.00 0.00 O ATOM 0 H GLY A 32 -9.900 -6.301 -2.171 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.380 -6.560 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.153 -7.415 -1.304 1.00 0.00 H new ATOM 546 N CYS A 33 -6.121 -5.557 -0.157 1.00 0.00 N ATOM 547 CA CYS A 33 -4.879 -4.806 -0.294 1.00 0.00 C ATOM 548 C CYS A 33 -4.308 -4.951 -1.702 1.00 0.00 C ATOM 549 O CYS A 33 -4.235 -6.046 -2.260 1.00 0.00 O ATOM 550 CB CYS A 33 -3.853 -5.285 0.736 1.00 0.00 C ATOM 551 SG CYS A 33 -2.455 -4.142 0.979 1.00 0.00 S ATOM 0 H CYS A 33 -6.233 -6.025 0.742 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.099 -3.753 -0.116 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.356 -5.435 1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.466 -6.255 0.424 1.00 0.00 H new ATOM 556 N PRO A 34 -3.894 -3.819 -2.291 1.00 0.00 N ATOM 557 CA PRO A 34 -3.322 -3.793 -3.641 1.00 0.00 C ATOM 558 C PRO A 34 -1.944 -4.444 -3.699 1.00 0.00 C ATOM 559 O PRO A 34 -1.300 -4.467 -4.749 1.00 0.00 O ATOM 560 CB PRO A 34 -3.220 -2.299 -3.954 1.00 0.00 C ATOM 561 CG PRO A 34 -3.129 -1.637 -2.623 1.00 0.00 C ATOM 562 CD PRO A 34 -3.951 -2.478 -1.686 1.00 0.00 C ATOM 0 HA PRO A 34 -3.931 -4.351 -4.352 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.344 -2.082 -4.565 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.090 -1.951 -4.510 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.094 -1.577 -2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.510 -0.617 -2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.539 -2.475 -0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.976 -2.113 -1.613 1.00 0.00 H new ATOM 570 N LEU A 35 -1.496 -4.973 -2.565 1.00 0.00 N ATOM 571 CA LEU A 35 -0.194 -5.626 -2.487 1.00 0.00 C ATOM 572 C LEU A 35 -0.338 -7.077 -2.040 1.00 0.00 C ATOM 573 O LEU A 35 0.628 -7.701 -1.601 1.00 0.00 O ATOM 574 CB LEU A 35 0.720 -4.870 -1.521 1.00 0.00 C ATOM 575 CG LEU A 35 1.127 -3.459 -1.946 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.749 -2.708 -0.779 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.091 -3.514 -3.122 1.00 0.00 C ATOM 0 H LEU A 35 -2.015 -4.962 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 35 0.251 -5.615 -3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.220 -4.807 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.625 -5.459 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 35 0.232 -2.922 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.032 -1.706 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.027 -2.637 0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.634 -3.242 -0.433 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.370 -2.501 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.984 -4.068 -2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.610 -4.012 -3.964 1.00 0.00 H new ATOM 589 N VAL A 36 -1.550 -7.609 -2.156 1.00 0.00 N ATOM 590 CA VAL A 36 -1.820 -8.988 -1.767 1.00 0.00 C ATOM 591 C VAL A 36 -1.187 -9.313 -0.419 1.00 0.00 C ATOM 592 O VAL A 36 -0.720 -10.430 -0.193 1.00 0.00 O ATOM 593 CB VAL A 36 -1.296 -9.982 -2.821 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.897 -9.679 -4.185 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.223 -9.945 -2.878 1.00 0.00 C ATOM 0 H VAL A 36 -2.361 -7.106 -2.516 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.903 -9.089 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.601 -10.988 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.516 -10.391 -4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.983 -9.761 -4.131 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.624 -8.668 -4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.576 -10.653 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.553 -8.941 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.630 -10.215 -1.904 1.00 0.00 H new ATOM 605 N CYS A 37 -1.173 -8.329 0.474 1.00 0.00 N ATOM 606 CA CYS A 37 -0.597 -8.509 1.802 1.00 0.00 C ATOM 607 C CYS A 37 -1.366 -9.565 2.590 1.00 0.00 C ATOM 608 O CYS A 37 -0.819 -10.207 3.486 1.00 0.00 O ATOM 609 CB CYS A 37 -0.601 -7.183 2.566 1.00 0.00 C ATOM 610 SG CYS A 37 -2.138 -6.861 3.488 1.00 0.00 S ATOM 0 H CYS A 37 -1.554 -7.399 0.302 1.00 0.00 H new ATOM 0 HA CYS A 37 0.432 -8.849 1.682 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.237 -7.175 3.263 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.436 -6.369 1.860 1.00 0.00 H new ATOM 615 N GLY A 38 -2.640 -9.740 2.249 1.00 0.00 N ATOM 616 CA GLY A 38 -3.463 -10.719 2.934 1.00 0.00 C ATOM 617 C GLY A 38 -4.361 -10.090 3.982 1.00 0.00 C ATOM 618 O GLY A 38 -4.388 -10.530 5.131 1.00 0.00 O ATOM 0 H GLY A 38 -3.116 -9.221 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.076 -11.248 2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.821 -11.461 3.408 1.00 0.00 H new ATOM 622 N ALA A 39 -5.096 -9.056 3.585 1.00 0.00 N ATOM 623 CA ALA A 39 -5.999 -8.366 4.498 1.00 0.00 C ATOM 624 C ALA A 39 -7.103 -7.641 3.735 1.00 0.00 C ATOM 625 O ALA A 39 -6.841 -6.959 2.745 1.00 0.00 O ATOM 626 CB ALA A 39 -5.224 -7.387 5.367 1.00 0.00 C ATOM 0 H ALA A 39 -5.084 -8.678 2.638 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.467 -9.112 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.911 -6.879 6.044 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.477 -7.928 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.728 -6.651 4.733 1.00 0.00 H new ATOM 632 N VAL A 40 -8.338 -7.794 4.203 1.00 0.00 N ATOM 633 CA VAL A 40 -9.481 -7.153 3.565 1.00 0.00 C ATOM 634 C VAL A 40 -9.975 -5.967 4.385 1.00 0.00 C ATOM 635 O VAL A 40 -10.422 -6.126 5.521 1.00 0.00 O ATOM 636 CB VAL A 40 -10.643 -8.146 3.368 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.820 -7.462 2.690 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.182 -9.353 2.565 1.00 0.00 C ATOM 0 H VAL A 40 -8.572 -8.356 5.021 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.143 -6.801 2.590 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.971 -8.494 4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.631 -8.178 2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.164 -6.633 3.308 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.509 -7.084 1.716 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.015 -10.044 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.827 -9.026 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.373 -9.856 3.095 1.00 0.00 H new ATOM 648 N PHE A 41 -9.891 -4.776 3.802 1.00 0.00 N ATOM 649 CA PHE A 41 -10.328 -3.560 4.478 1.00 0.00 C ATOM 650 C PHE A 41 -11.164 -2.689 3.545 1.00 0.00 C ATOM 651 O PHE A 41 -11.064 -2.796 2.322 1.00 0.00 O ATOM 652 CB PHE A 41 -9.120 -2.771 4.986 1.00 0.00 C ATOM 653 CG PHE A 41 -7.920 -2.868 4.088 1.00 0.00 C ATOM 654 CD1 PHE A 41 -6.994 -3.885 4.254 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.718 -1.942 3.077 1.00 0.00 C ATOM 656 CE1 PHE A 41 -5.889 -3.978 3.429 1.00 0.00 C ATOM 657 CE2 PHE A 41 -6.615 -2.030 2.248 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.699 -3.048 2.426 1.00 0.00 C ATOM 0 H PHE A 41 -9.524 -4.627 2.862 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.947 -3.849 5.327 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.400 -1.723 5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.851 -3.133 5.979 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.137 -4.614 5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.430 -1.143 2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.175 -4.777 3.569 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.470 -1.303 1.462 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.835 -3.117 1.782 1.00 0.00 H new ATOM 668 N HIS A 42 -11.989 -1.827 4.131 1.00 0.00 N ATOM 669 CA HIS A 42 -12.843 -0.936 3.353 1.00 0.00 C ATOM 670 C HIS A 42 -12.007 -0.026 2.459 1.00 0.00 C ATOM 671 O HIS A 42 -11.050 0.600 2.915 1.00 0.00 O ATOM 672 CB HIS A 42 -13.718 -0.095 4.282 1.00 0.00 C ATOM 673 CG HIS A 42 -14.947 -0.808 4.756 1.00 0.00 C ATOM 674 ND1 HIS A 42 -16.091 -0.923 3.995 1.00 0.00 N ATOM 675 CD2 HIS A 42 -15.206 -1.446 5.921 1.00 0.00 C ATOM 676 CE1 HIS A 42 -17.001 -1.600 4.673 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.489 -1.930 5.845 1.00 0.00 N ATOM 0 H HIS A 42 -12.084 -1.727 5.142 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.484 -1.549 2.719 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.128 0.209 5.147 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.014 0.816 3.762 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.215 -0.545 3.056 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.529 -1.554 6.756 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.995 -1.842 4.327 1.00 0.00 H new ATOM 685 N SER A 43 -12.374 0.043 1.183 1.00 0.00 N ATOM 686 CA SER A 43 -11.655 0.873 0.224 1.00 0.00 C ATOM 687 C SER A 43 -11.134 2.143 0.889 1.00 0.00 C ATOM 688 O SER A 43 -10.003 2.566 0.647 1.00 0.00 O ATOM 689 CB SER A 43 -12.565 1.235 -0.951 1.00 0.00 C ATOM 690 OG SER A 43 -13.570 2.152 -0.555 1.00 0.00 O ATOM 0 H SER A 43 -13.165 -0.466 0.790 1.00 0.00 H new ATOM 0 HA SER A 43 -10.804 0.303 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.970 1.668 -1.756 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.029 0.332 -1.348 1.00 0.00 H new ATOM 0 HG SER A 43 -14.026 1.813 0.243 1.00 0.00 H new ATOM 696 N CYS A 44 -11.967 2.749 1.729 1.00 0.00 N ATOM 697 CA CYS A 44 -11.593 3.971 2.430 1.00 0.00 C ATOM 698 C CYS A 44 -10.463 3.706 3.421 1.00 0.00 C ATOM 699 O CYS A 44 -9.485 4.451 3.479 1.00 0.00 O ATOM 700 CB CYS A 44 -12.803 4.554 3.162 1.00 0.00 C ATOM 701 SG CYS A 44 -13.327 3.591 4.616 1.00 0.00 S ATOM 0 H CYS A 44 -12.906 2.413 1.941 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.242 4.691 1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.568 5.570 3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.638 4.622 2.465 1.00 0.00 H new ATOM 706 N LYS A 45 -10.605 2.639 4.199 1.00 0.00 N ATOM 707 CA LYS A 45 -9.598 2.273 5.188 1.00 0.00 C ATOM 708 C LYS A 45 -8.233 2.090 4.531 1.00 0.00 C ATOM 709 O LYS A 45 -7.211 2.501 5.080 1.00 0.00 O ATOM 710 CB LYS A 45 -10.005 0.985 5.908 1.00 0.00 C ATOM 711 CG LYS A 45 -11.161 1.170 6.876 1.00 0.00 C ATOM 712 CD LYS A 45 -10.713 1.852 8.157 1.00 0.00 C ATOM 713 CE LYS A 45 -11.670 1.568 9.305 1.00 0.00 C ATOM 714 NZ LYS A 45 -11.015 1.745 10.630 1.00 0.00 N ATOM 0 H LYS A 45 -11.409 2.012 4.164 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.527 3.082 5.915 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.279 0.235 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.145 0.595 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.943 1.763 6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.597 0.199 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.713 1.509 8.422 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.648 2.928 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.530 2.233 9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.047 0.549 9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.700 1.542 11.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.209 1.092 10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.677 2.724 10.722 1.00 0.00 H new ATOM 728 N ALA A 46 -8.225 1.474 3.354 1.00 0.00 N ATOM 729 CA ALA A 46 -6.986 1.241 2.622 1.00 0.00 C ATOM 730 C ALA A 46 -6.001 2.386 2.832 1.00 0.00 C ATOM 731 O ALA A 46 -4.889 2.180 3.317 1.00 0.00 O ATOM 732 CB ALA A 46 -7.276 1.056 1.140 1.00 0.00 C ATOM 0 H ALA A 46 -9.063 1.127 2.887 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.530 0.329 3.008 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.342 0.883 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.937 0.200 1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.757 1.952 0.749 1.00 0.00 H new ATOM 738 N ASP A 47 -6.417 3.593 2.462 1.00 0.00 N ATOM 739 CA ASP A 47 -5.570 4.771 2.610 1.00 0.00 C ATOM 740 C ASP A 47 -4.744 4.690 3.890 1.00 0.00 C ATOM 741 O ASP A 47 -3.528 4.873 3.867 1.00 0.00 O ATOM 742 CB ASP A 47 -6.424 6.040 2.619 1.00 0.00 C ATOM 743 CG ASP A 47 -5.585 7.302 2.688 1.00 0.00 C ATOM 744 OD1 ASP A 47 -4.532 7.277 3.358 1.00 0.00 O ATOM 745 OD2 ASP A 47 -5.983 8.313 2.072 1.00 0.00 O ATOM 0 H ASP A 47 -7.335 3.781 2.058 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.887 4.807 1.761 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.041 6.066 1.721 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.103 6.012 3.471 1.00 0.00 H new ATOM 750 N GLU A 48 -5.415 4.415 5.005 1.00 0.00 N ATOM 751 CA GLU A 48 -4.742 4.311 6.294 1.00 0.00 C ATOM 752 C GLU A 48 -4.012 2.977 6.421 1.00 0.00 C ATOM 753 O GLU A 48 -2.818 2.936 6.723 1.00 0.00 O ATOM 754 CB GLU A 48 -5.750 4.464 7.435 1.00 0.00 C ATOM 755 CG GLU A 48 -6.486 5.793 7.423 1.00 0.00 C ATOM 756 CD GLU A 48 -5.700 6.901 8.097 1.00 0.00 C ATOM 757 OE1 GLU A 48 -4.801 6.585 8.904 1.00 0.00 O ATOM 758 OE2 GLU A 48 -5.985 8.084 7.818 1.00 0.00 O ATOM 0 H GLU A 48 -6.423 4.261 5.041 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.008 5.114 6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.478 3.655 7.376 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.229 4.356 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.697 6.078 6.392 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.447 5.677 7.925 1.00 0.00 H new ATOM 765 N HIS A 49 -4.737 1.888 6.190 1.00 0.00 N ATOM 766 CA HIS A 49 -4.160 0.551 6.279 1.00 0.00 C ATOM 767 C HIS A 49 -2.757 0.525 5.679 1.00 0.00 C ATOM 768 O HIS A 49 -1.814 0.037 6.302 1.00 0.00 O ATOM 769 CB HIS A 49 -5.053 -0.462 5.562 1.00 0.00 C ATOM 770 CG HIS A 49 -4.376 -1.770 5.290 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.372 -2.816 6.189 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.681 -2.200 4.211 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.701 -3.832 5.675 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.271 -3.483 4.476 1.00 0.00 N ATOM 0 H HIS A 49 -5.726 1.905 5.940 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.091 0.281 7.333 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.943 -0.641 6.166 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.390 -0.033 4.618 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.817 -2.807 7.107 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.485 -1.638 3.310 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.533 -4.785 6.154 1.00 0.00 H new ATOM 782 N ARG A 50 -2.628 1.051 4.465 1.00 0.00 N ATOM 783 CA ARG A 50 -1.342 1.086 3.780 1.00 0.00 C ATOM 784 C ARG A 50 -0.235 1.544 4.726 1.00 0.00 C ATOM 785 O ARG A 50 0.880 1.021 4.694 1.00 0.00 O ATOM 786 CB ARG A 50 -1.410 2.017 2.569 1.00 0.00 C ATOM 787 CG ARG A 50 -2.360 1.536 1.484 1.00 0.00 C ATOM 788 CD ARG A 50 -2.683 2.645 0.495 1.00 0.00 C ATOM 789 NE ARG A 50 -1.491 3.123 -0.200 1.00 0.00 N ATOM 790 CZ ARG A 50 -1.527 3.792 -1.348 1.00 0.00 C ATOM 791 NH1 ARG A 50 -2.690 4.060 -1.926 1.00 0.00 N ATOM 792 NH2 ARG A 50 -0.399 4.194 -1.919 1.00 0.00 N ATOM 0 H ARG A 50 -3.399 1.459 3.936 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.112 0.076 3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.722 3.008 2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.411 2.122 2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.914 0.694 0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.281 1.174 1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.406 2.281 -0.235 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.153 3.475 1.022 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.580 2.933 0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.559 3.753 -1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.715 4.574 -2.807 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.497 3.990 -1.477 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.428 4.707 -2.800 1.00 0.00 H new ATOM 806 N LEU A 51 -0.549 2.525 5.565 1.00 0.00 N ATOM 807 CA LEU A 51 0.418 3.055 6.520 1.00 0.00 C ATOM 808 C LEU A 51 1.010 1.937 7.372 1.00 0.00 C ATOM 809 O LEU A 51 2.226 1.859 7.556 1.00 0.00 O ATOM 810 CB LEU A 51 -0.243 4.101 7.418 1.00 0.00 C ATOM 811 CG LEU A 51 -0.720 5.377 6.723 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.561 6.218 7.671 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.465 6.178 6.205 1.00 0.00 C ATOM 0 H LEU A 51 -1.466 2.970 5.603 1.00 0.00 H new ATOM 0 HA LEU A 51 1.225 3.526 5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.098 3.639 7.912 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.464 4.379 8.199 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.340 5.094 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.892 7.122 7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.430 5.644 7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.965 6.491 8.541 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.106 7.082 5.714 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.112 6.451 7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.027 5.576 5.491 1.00 0.00 H new ATOM 825 N LEU A 52 0.144 1.073 7.889 1.00 0.00 N ATOM 826 CA LEU A 52 0.581 -0.044 8.721 1.00 0.00 C ATOM 827 C LEU A 52 1.078 -1.201 7.862 1.00 0.00 C ATOM 828 O LEU A 52 2.193 -1.691 8.046 1.00 0.00 O ATOM 829 CB LEU A 52 -0.565 -0.515 9.619 1.00 0.00 C ATOM 830 CG LEU A 52 -1.241 0.563 10.466 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.405 1.184 9.710 1.00 0.00 C ATOM 832 CD2 LEU A 52 -1.713 -0.018 11.791 1.00 0.00 C ATOM 0 H LEU A 52 -0.865 1.124 7.747 1.00 0.00 H new ATOM 0 HA LEU A 52 1.406 0.300 9.345 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.323 -0.984 8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.183 -1.287 10.287 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.511 1.345 10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.874 1.949 10.329 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.040 1.636 8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.137 0.412 9.471 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.192 0.764 12.381 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.427 -0.820 11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.859 -0.415 12.339 1.00 0.00 H new ATOM 844 N CYS A 53 0.246 -1.633 6.920 1.00 0.00 N ATOM 845 CA CYS A 53 0.601 -2.731 6.030 1.00 0.00 C ATOM 846 C CYS A 53 2.106 -2.767 5.783 1.00 0.00 C ATOM 847 O CYS A 53 2.729 -1.760 5.445 1.00 0.00 O ATOM 848 CB CYS A 53 -0.142 -2.598 4.699 1.00 0.00 C ATOM 849 SG CYS A 53 0.131 -3.986 3.552 1.00 0.00 S ATOM 0 H CYS A 53 -0.680 -1.238 6.754 1.00 0.00 H new ATOM 0 HA CYS A 53 0.307 -3.664 6.511 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.210 -2.511 4.899 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.168 -1.673 4.213 1.00 0.00 H new ATOM 854 N PRO A 54 2.706 -3.954 5.955 1.00 0.00 N ATOM 855 CA PRO A 54 4.145 -4.150 5.756 1.00 0.00 C ATOM 856 C PRO A 54 4.546 -4.051 4.288 1.00 0.00 C ATOM 857 O PRO A 54 5.497 -3.351 3.940 1.00 0.00 O ATOM 858 CB PRO A 54 4.386 -5.568 6.281 1.00 0.00 C ATOM 859 CG PRO A 54 3.071 -6.254 6.136 1.00 0.00 C ATOM 860 CD PRO A 54 2.026 -5.197 6.357 1.00 0.00 C ATOM 0 HA PRO A 54 4.734 -3.386 6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.163 -6.075 5.709 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.713 -5.555 7.321 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.971 -6.701 5.147 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.970 -7.061 6.862 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.136 -5.380 5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.705 -5.161 7.398 1.00 0.00 H new ATOM 868 N PHE A 55 3.813 -4.754 3.430 1.00 0.00 N ATOM 869 CA PHE A 55 4.093 -4.745 1.999 1.00 0.00 C ATOM 870 C PHE A 55 4.362 -3.325 1.507 1.00 0.00 C ATOM 871 O PHE A 55 5.252 -3.100 0.688 1.00 0.00 O ATOM 872 CB PHE A 55 2.921 -5.352 1.225 1.00 0.00 C ATOM 873 CG PHE A 55 3.005 -6.845 1.085 1.00 0.00 C ATOM 874 CD1 PHE A 55 2.997 -7.661 2.205 1.00 0.00 C ATOM 875 CD2 PHE A 55 3.093 -7.433 -0.167 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.074 -9.035 2.079 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.170 -8.807 -0.299 1.00 0.00 C ATOM 878 CZ PHE A 55 3.160 -9.609 0.825 1.00 0.00 C ATOM 0 H PHE A 55 3.021 -5.337 3.701 1.00 0.00 H new ATOM 0 HA PHE A 55 4.985 -5.347 1.824 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.990 -5.094 1.730 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.880 -4.904 0.232 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.930 -7.218 3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.102 -6.811 -1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.067 -9.660 2.960 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.238 -9.253 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.219 -10.683 0.724 1.00 0.00 H new ATOM 888 N GLU A 56 3.584 -2.373 2.013 1.00 0.00 N ATOM 889 CA GLU A 56 3.737 -0.976 1.623 1.00 0.00 C ATOM 890 C GLU A 56 5.212 -0.586 1.565 1.00 0.00 C ATOM 891 O GLU A 56 5.991 -0.928 2.454 1.00 0.00 O ATOM 892 CB GLU A 56 2.996 -0.066 2.604 1.00 0.00 C ATOM 893 CG GLU A 56 2.541 1.248 1.991 1.00 0.00 C ATOM 894 CD GLU A 56 1.757 1.052 0.708 1.00 0.00 C ATOM 895 OE1 GLU A 56 1.019 0.049 0.612 1.00 0.00 O ATOM 896 OE2 GLU A 56 1.881 1.900 -0.200 1.00 0.00 O ATOM 0 H GLU A 56 2.843 -2.543 2.693 1.00 0.00 H new ATOM 0 HA GLU A 56 3.307 -0.853 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.127 -0.596 2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.646 0.145 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.924 1.786 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.412 1.871 1.789 1.00 0.00 H new ATOM 903 N ARG A 57 5.586 0.132 0.511 1.00 0.00 N ATOM 904 CA ARG A 57 6.966 0.568 0.335 1.00 0.00 C ATOM 905 C ARG A 57 7.423 1.419 1.516 1.00 0.00 C ATOM 906 O ARG A 57 6.756 2.383 1.894 1.00 0.00 O ATOM 907 CB ARG A 57 7.111 1.360 -0.966 1.00 0.00 C ATOM 908 CG ARG A 57 8.528 1.842 -1.231 1.00 0.00 C ATOM 909 CD ARG A 57 8.738 2.174 -2.700 1.00 0.00 C ATOM 910 NE ARG A 57 7.860 3.251 -3.148 1.00 0.00 N ATOM 911 CZ ARG A 57 7.970 3.844 -4.332 1.00 0.00 C ATOM 912 NH1 ARG A 57 8.915 3.467 -5.181 1.00 0.00 N ATOM 913 NH2 ARG A 57 7.133 4.817 -4.668 1.00 0.00 N ATOM 0 H ARG A 57 4.953 0.424 -0.234 1.00 0.00 H new ATOM 0 HA ARG A 57 7.597 -0.319 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.787 0.736 -1.799 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.443 2.221 -0.934 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.733 2.724 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.238 1.073 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.777 2.462 -2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.557 1.284 -3.302 1.00 0.00 H new ATOM 0 HE ARG A 57 7.122 3.565 -2.518 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.561 2.720 -4.926 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.997 3.924 -6.089 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.404 5.110 -4.017 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.218 5.272 -5.577 1.00 0.00 H new ATOM 927 N VAL A 58 8.563 1.057 2.094 1.00 0.00 N ATOM 928 CA VAL A 58 9.109 1.788 3.232 1.00 0.00 C ATOM 929 C VAL A 58 10.631 1.842 3.171 1.00 0.00 C ATOM 930 O VAL A 58 11.295 0.893 2.752 1.00 0.00 O ATOM 931 CB VAL A 58 8.682 1.149 4.566 1.00 0.00 C ATOM 932 CG1 VAL A 58 7.169 1.005 4.630 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.363 -0.198 4.754 1.00 0.00 C ATOM 0 H VAL A 58 9.127 0.262 1.793 1.00 0.00 H new ATOM 0 HA VAL A 58 8.710 2.801 3.179 1.00 0.00 H new ATOM 0 HB VAL A 58 8.995 1.805 5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.887 0.552 5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.706 1.988 4.545 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.829 0.372 3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.049 -0.635 5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.084 -0.864 3.937 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.444 -0.062 4.757 1.00 0.00 H new ATOM 943 N PRO A 59 11.201 2.979 3.598 1.00 0.00 N ATOM 944 CA PRO A 59 12.652 3.184 3.603 1.00 0.00 C ATOM 945 C PRO A 59 13.356 2.324 4.647 1.00 0.00 C ATOM 946 O PRO A 59 12.806 2.051 5.715 1.00 0.00 O ATOM 947 CB PRO A 59 12.799 4.669 3.946 1.00 0.00 C ATOM 948 CG PRO A 59 11.558 5.009 4.697 1.00 0.00 C ATOM 949 CD PRO A 59 10.471 4.151 4.110 1.00 0.00 C ATOM 0 HA PRO A 59 13.106 2.905 2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.689 4.850 4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.896 5.276 3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.680 4.811 5.762 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.318 6.067 4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.733 3.868 4.860 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.935 4.669 3.315 1.00 0.00 H new ATOM 957 N CYS A 60 14.575 1.899 4.333 1.00 0.00 N ATOM 958 CA CYS A 60 15.355 1.070 5.244 1.00 0.00 C ATOM 959 C CYS A 60 15.264 1.597 6.673 1.00 0.00 C ATOM 960 O CYS A 60 15.313 2.806 6.904 1.00 0.00 O ATOM 961 CB CYS A 60 16.817 1.022 4.798 1.00 0.00 C ATOM 962 SG CYS A 60 17.903 0.072 5.910 1.00 0.00 S ATOM 0 H CYS A 60 15.044 2.115 3.454 1.00 0.00 H new ATOM 0 HA CYS A 60 14.942 0.061 5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.867 0.587 3.800 1.00 0.00 H new ATOM 0 HB3 CYS A 60 17.196 2.041 4.721 1.00 0.00 H new ATOM 967 N LEU A 61 15.132 0.683 7.628 1.00 0.00 N ATOM 968 CA LEU A 61 15.035 1.055 9.035 1.00 0.00 C ATOM 969 C LEU A 61 16.096 2.089 9.399 1.00 0.00 C ATOM 970 O LEU A 61 15.842 3.004 10.182 1.00 0.00 O ATOM 971 CB LEU A 61 15.186 -0.182 9.921 1.00 0.00 C ATOM 972 CG LEU A 61 13.904 -0.966 10.204 1.00 0.00 C ATOM 973 CD1 LEU A 61 14.219 -2.254 10.949 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.922 -0.116 10.996 1.00 0.00 C ATOM 0 H LEU A 61 15.090 -0.321 7.454 1.00 0.00 H new ATOM 0 HA LEU A 61 14.052 1.496 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.903 -0.855 9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.616 0.128 10.873 1.00 0.00 H new ATOM 0 HG LEU A 61 13.442 -1.225 9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 61 13.295 -2.798 11.142 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.884 -2.871 10.344 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.705 -2.017 11.896 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.016 -0.691 11.188 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.375 0.175 11.944 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.671 0.778 10.424 1.00 0.00 H new ATOM 986 N ASN A 62 17.285 1.937 8.824 1.00 0.00 N ATOM 987 CA ASN A 62 18.384 2.859 9.088 1.00 0.00 C ATOM 988 C ASN A 62 18.439 3.956 8.030 1.00 0.00 C ATOM 989 O ASN A 62 19.515 4.433 7.670 1.00 0.00 O ATOM 990 CB ASN A 62 19.713 2.102 9.123 1.00 0.00 C ATOM 991 CG ASN A 62 19.811 1.054 8.031 1.00 0.00 C ATOM 992 OD1 ASN A 62 19.473 -0.185 8.369 1.00 0.00 O flip ATOM 993 ND2 ASN A 62 20.186 1.355 6.898 1.00 0.00 N flip ATOM 0 H ASN A 62 17.512 1.185 8.173 1.00 0.00 H new ATOM 0 HA ASN A 62 18.212 3.324 10.059 1.00 0.00 H new ATOM 0 HB2 ASN A 62 20.534 2.811 9.017 1.00 0.00 H new ATOM 0 HB3 ASN A 62 19.829 1.622 10.095 1.00 0.00 H new ATOM 0 HD21 ASN A 62 20.436 2.320 6.683 1.00 0.00 H new ATOM 0 HD22 ASN A 62 20.247 0.639 6.174 1.00 0.00 H new ATOM 1000 N SER A 63 17.270 4.353 7.536 1.00 0.00 N ATOM 1001 CA SER A 63 17.184 5.393 6.517 1.00 0.00 C ATOM 1002 C SER A 63 17.764 6.707 7.031 1.00 0.00 C ATOM 1003 O SER A 63 18.424 7.439 6.293 1.00 0.00 O ATOM 1004 CB SER A 63 15.730 5.597 6.087 1.00 0.00 C ATOM 1005 OG SER A 63 15.598 6.742 5.262 1.00 0.00 O ATOM 0 H SER A 63 16.370 3.970 7.825 1.00 0.00 H new ATOM 0 HA SER A 63 17.768 5.071 5.655 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.379 4.716 5.550 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.098 5.705 6.969 1.00 0.00 H new ATOM 0 HG SER A 63 14.660 6.850 4.999 1.00 0.00 H new ATOM 1011 N ASP A 64 17.511 7.000 8.302 1.00 0.00 N ATOM 1012 CA ASP A 64 18.008 8.225 8.918 1.00 0.00 C ATOM 1013 C ASP A 64 19.512 8.369 8.706 1.00 0.00 C ATOM 1014 O ASP A 64 20.043 9.479 8.689 1.00 0.00 O ATOM 1015 CB ASP A 64 17.687 8.236 10.413 1.00 0.00 C ATOM 1016 CG ASP A 64 17.675 6.843 11.013 1.00 0.00 C ATOM 1017 OD1 ASP A 64 16.758 6.063 10.681 1.00 0.00 O ATOM 1018 OD2 ASP A 64 18.582 6.534 11.813 1.00 0.00 O ATOM 0 H ASP A 64 16.965 6.406 8.926 1.00 0.00 H new ATOM 0 HA ASP A 64 17.510 9.070 8.442 1.00 0.00 H new ATOM 0 HB2 ASP A 64 18.423 8.847 10.935 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.715 8.704 10.570 1.00 0.00 H new ATOM 1023 N PHE A 65 20.192 7.238 8.547 1.00 0.00 N ATOM 1024 CA PHE A 65 21.636 7.238 8.338 1.00 0.00 C ATOM 1025 C PHE A 65 21.980 7.674 6.917 1.00 0.00 C ATOM 1026 O PHE A 65 22.963 8.379 6.694 1.00 0.00 O ATOM 1027 CB PHE A 65 22.211 5.847 8.610 1.00 0.00 C ATOM 1028 CG PHE A 65 22.310 5.514 10.072 1.00 0.00 C ATOM 1029 CD1 PHE A 65 21.220 5.684 10.910 1.00 0.00 C ATOM 1030 CD2 PHE A 65 23.493 5.031 10.607 1.00 0.00 C ATOM 1031 CE1 PHE A 65 21.308 5.379 12.255 1.00 0.00 C ATOM 1032 CE2 PHE A 65 23.587 4.724 11.951 1.00 0.00 C ATOM 1033 CZ PHE A 65 22.493 4.899 12.776 1.00 0.00 C ATOM 0 H PHE A 65 19.767 6.311 8.559 1.00 0.00 H new ATOM 0 HA PHE A 65 22.079 7.950 9.035 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.586 5.102 8.117 1.00 0.00 H new ATOM 0 HB3 PHE A 65 23.202 5.778 8.162 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.291 6.059 10.507 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.351 4.893 9.966 1.00 0.00 H new ATOM 0 HE1 PHE A 65 20.451 5.516 12.898 1.00 0.00 H new ATOM 0 HE2 PHE A 65 24.515 4.348 12.356 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.565 4.661 13.827 1.00 0.00 H new ATOM 1043 N GLY A 66 21.162 7.249 5.959 1.00 0.00 N ATOM 1044 CA GLY A 66 21.397 7.604 4.572 1.00 0.00 C ATOM 1045 C GLY A 66 21.320 6.406 3.646 1.00 0.00 C ATOM 1046 O GLY A 66 22.087 6.303 2.688 1.00 0.00 O ATOM 0 H GLY A 66 20.341 6.665 6.119 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.663 8.347 4.261 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.379 8.068 4.480 1.00 0.00 H new ATOM 1050 N CYS A 67 20.394 5.498 3.931 1.00 0.00 N ATOM 1051 CA CYS A 67 20.220 4.300 3.119 1.00 0.00 C ATOM 1052 C CYS A 67 19.145 4.514 2.057 1.00 0.00 C ATOM 1053 O CYS A 67 17.960 4.661 2.358 1.00 0.00 O ATOM 1054 CB CYS A 67 19.849 3.108 4.003 1.00 0.00 C ATOM 1055 SG CYS A 67 20.409 1.500 3.355 1.00 0.00 S ATOM 0 H CYS A 67 19.751 5.569 4.720 1.00 0.00 H new ATOM 0 HA CYS A 67 21.165 4.091 2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 67 20.277 3.257 4.994 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.766 3.082 4.124 1.00 0.00 H new ATOM 1060 N PRO A 68 19.567 4.532 0.784 1.00 0.00 N ATOM 1061 CA PRO A 68 18.656 4.726 -0.349 1.00 0.00 C ATOM 1062 C PRO A 68 17.738 3.528 -0.567 1.00 0.00 C ATOM 1063 O PRO A 68 16.628 3.669 -1.081 1.00 0.00 O ATOM 1064 CB PRO A 68 19.603 4.898 -1.540 1.00 0.00 C ATOM 1065 CG PRO A 68 20.849 4.188 -1.138 1.00 0.00 C ATOM 1066 CD PRO A 68 20.964 4.363 0.351 1.00 0.00 C ATOM 0 HA PRO A 68 17.986 5.572 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.179 4.470 -2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.796 5.951 -1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.799 3.132 -1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.717 4.605 -1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.429 3.497 0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.572 5.230 0.608 1.00 0.00 H new ATOM 1074 N PHE A 69 18.208 2.349 -0.172 1.00 0.00 N ATOM 1075 CA PHE A 69 17.428 1.126 -0.325 1.00 0.00 C ATOM 1076 C PHE A 69 15.994 1.332 0.154 1.00 0.00 C ATOM 1077 O PHE A 69 15.758 1.902 1.219 1.00 0.00 O ATOM 1078 CB PHE A 69 18.079 -0.019 0.455 1.00 0.00 C ATOM 1079 CG PHE A 69 19.268 -0.618 -0.241 1.00 0.00 C ATOM 1080 CD1 PHE A 69 19.100 -1.582 -1.222 1.00 0.00 C ATOM 1081 CD2 PHE A 69 20.553 -0.217 0.086 1.00 0.00 C ATOM 1082 CE1 PHE A 69 20.192 -2.135 -1.862 1.00 0.00 C ATOM 1083 CE2 PHE A 69 21.649 -0.766 -0.552 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.468 -1.726 -1.528 1.00 0.00 C ATOM 0 H PHE A 69 19.124 2.215 0.256 1.00 0.00 H new ATOM 0 HA PHE A 69 17.405 0.869 -1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.388 0.348 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.337 -0.799 0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 69 18.104 -1.904 -1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 69 20.700 0.534 0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 69 20.048 -2.887 -2.624 1.00 0.00 H new ATOM 0 HE2 PHE A 69 22.646 -0.445 -0.288 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.323 -2.156 -2.029 1.00 0.00 H new ATOM 1094 N THR A 70 15.038 0.863 -0.643 1.00 0.00 N ATOM 1095 CA THR A 70 13.627 0.996 -0.303 1.00 0.00 C ATOM 1096 C THR A 70 12.858 -0.277 -0.639 1.00 0.00 C ATOM 1097 O THR A 70 12.938 -0.784 -1.757 1.00 0.00 O ATOM 1098 CB THR A 70 12.981 2.183 -1.043 1.00 0.00 C ATOM 1099 OG1 THR A 70 13.396 2.191 -2.413 1.00 0.00 O ATOM 1100 CG2 THR A 70 13.360 3.501 -0.385 1.00 0.00 C ATOM 0 H THR A 70 15.216 0.388 -1.528 1.00 0.00 H new ATOM 0 HA THR A 70 13.576 1.175 0.771 1.00 0.00 H new ATOM 0 HB THR A 70 11.898 2.068 -0.993 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.451 1.270 -2.743 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.892 4.325 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.016 3.503 0.649 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.443 3.621 -0.408 1.00 0.00 H new ATOM 1108 N MET A 71 12.114 -0.787 0.337 1.00 0.00 N ATOM 1109 CA MET A 71 11.329 -2.001 0.143 1.00 0.00 C ATOM 1110 C MET A 71 10.265 -2.139 1.227 1.00 0.00 C ATOM 1111 O MET A 71 10.125 -1.269 2.087 1.00 0.00 O ATOM 1112 CB MET A 71 12.240 -3.229 0.147 1.00 0.00 C ATOM 1113 CG MET A 71 13.191 -3.278 1.332 1.00 0.00 C ATOM 1114 SD MET A 71 14.744 -2.421 1.012 1.00 0.00 S ATOM 1115 CE MET A 71 14.739 -1.206 2.327 1.00 0.00 C ATOM 0 H MET A 71 12.038 -0.379 1.269 1.00 0.00 H new ATOM 0 HA MET A 71 10.831 -1.931 -0.824 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.624 -4.128 0.149 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.821 -3.243 -0.775 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.706 -2.832 2.200 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.399 -4.318 1.583 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.457 -0.419 2.098 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.743 -0.773 2.419 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.014 -1.685 3.266 1.00 0.00 H new ATOM 1125 N ALA A 72 9.518 -3.237 1.180 1.00 0.00 N ATOM 1126 CA ALA A 72 8.468 -3.489 2.160 1.00 0.00 C ATOM 1127 C ALA A 72 9.040 -3.563 3.571 1.00 0.00 C ATOM 1128 O ALA A 72 10.203 -3.920 3.762 1.00 0.00 O ATOM 1129 CB ALA A 72 7.727 -4.774 1.821 1.00 0.00 C ATOM 0 H ALA A 72 9.620 -3.966 0.474 1.00 0.00 H new ATOM 0 HA ALA A 72 7.765 -2.657 2.124 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.946 -4.950 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.277 -4.684 0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.427 -5.610 1.827 1.00 0.00 H new ATOM 1135 N ARG A 73 8.217 -3.223 4.557 1.00 0.00 N ATOM 1136 CA ARG A 73 8.643 -3.249 5.951 1.00 0.00 C ATOM 1137 C ARG A 73 8.994 -4.669 6.386 1.00 0.00 C ATOM 1138 O ARG A 73 9.918 -4.877 7.171 1.00 0.00 O ATOM 1139 CB ARG A 73 7.543 -2.686 6.853 1.00 0.00 C ATOM 1140 CG ARG A 73 8.003 -2.411 8.276 1.00 0.00 C ATOM 1141 CD ARG A 73 6.960 -1.626 9.057 1.00 0.00 C ATOM 1142 NE ARG A 73 6.786 -0.275 8.532 1.00 0.00 N ATOM 1143 CZ ARG A 73 5.924 0.035 7.570 1.00 0.00 C ATOM 1144 NH1 ARG A 73 5.161 -0.905 7.031 1.00 0.00 N ATOM 1145 NH2 ARG A 73 5.824 1.288 7.145 1.00 0.00 N ATOM 0 H ARG A 73 7.251 -2.926 4.417 1.00 0.00 H new ATOM 0 HA ARG A 73 9.534 -2.628 6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.165 -1.761 6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.711 -3.389 6.879 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.205 -3.355 8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.939 -1.854 8.256 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.007 -2.154 9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.256 -1.572 10.105 1.00 0.00 H new ATOM 0 HE ARG A 73 7.358 0.472 8.926 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.235 -1.869 7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.500 -0.664 6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.409 2.015 7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.162 1.525 6.406 1.00 0.00 H new ATOM 1159 N ASN A 74 8.250 -5.641 5.870 1.00 0.00 N ATOM 1160 CA ASN A 74 8.482 -7.041 6.206 1.00 0.00 C ATOM 1161 C ASN A 74 9.546 -7.650 5.296 1.00 0.00 C ATOM 1162 O ASN A 74 9.763 -8.862 5.300 1.00 0.00 O ATOM 1163 CB ASN A 74 7.181 -7.838 6.091 1.00 0.00 C ATOM 1164 CG ASN A 74 6.615 -7.821 4.684 1.00 0.00 C ATOM 1165 OD1 ASN A 74 7.299 -7.445 3.732 1.00 0.00 O ATOM 1166 ND2 ASN A 74 5.359 -8.230 4.547 1.00 0.00 N ATOM 0 H ASN A 74 7.481 -5.485 5.218 1.00 0.00 H new ATOM 0 HA ASN A 74 8.839 -7.087 7.235 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.362 -8.869 6.395 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.444 -7.427 6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.924 -8.241 3.624 1.00 0.00 H new ATOM 0 HD22 ASN A 74 4.829 -8.533 5.364 1.00 0.00 H new ATOM 1173 N LYS A 75 10.207 -6.800 4.518 1.00 0.00 N ATOM 1174 CA LYS A 75 11.249 -7.251 3.603 1.00 0.00 C ATOM 1175 C LYS A 75 12.578 -6.570 3.915 1.00 0.00 C ATOM 1176 O LYS A 75 13.643 -7.066 3.545 1.00 0.00 O ATOM 1177 CB LYS A 75 10.845 -6.966 2.155 1.00 0.00 C ATOM 1178 CG LYS A 75 11.990 -7.099 1.167 1.00 0.00 C ATOM 1179 CD LYS A 75 12.503 -8.527 1.097 1.00 0.00 C ATOM 1180 CE LYS A 75 13.227 -8.796 -0.214 1.00 0.00 C ATOM 1181 NZ LYS A 75 14.645 -8.345 -0.167 1.00 0.00 N ATOM 0 H LYS A 75 10.040 -5.794 4.503 1.00 0.00 H new ATOM 0 HA LYS A 75 11.372 -8.326 3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.047 -7.651 1.868 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.437 -5.957 2.092 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.657 -6.782 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.802 -6.433 1.459 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.179 -8.713 1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.668 -9.220 1.202 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.192 -9.863 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.710 -8.285 -1.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.104 -8.546 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.678 -7.322 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 15.145 -8.851 0.591 1.00 0.00 H new ATOM 1195 N VAL A 76 12.509 -5.432 4.599 1.00 0.00 N ATOM 1196 CA VAL A 76 13.707 -4.685 4.962 1.00 0.00 C ATOM 1197 C VAL A 76 14.754 -5.597 5.592 1.00 0.00 C ATOM 1198 O VAL A 76 15.934 -5.530 5.252 1.00 0.00 O ATOM 1199 CB VAL A 76 13.380 -3.543 5.943 1.00 0.00 C ATOM 1200 CG1 VAL A 76 14.655 -2.981 6.552 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.586 -2.451 5.243 1.00 0.00 C ATOM 0 H VAL A 76 11.636 -5.008 4.913 1.00 0.00 H new ATOM 0 HA VAL A 76 14.106 -4.260 4.041 1.00 0.00 H new ATOM 0 HB VAL A 76 12.767 -3.944 6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.404 -2.175 7.242 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.180 -3.770 7.091 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.296 -2.594 5.760 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.364 -1.652 5.951 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.171 -2.050 4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.654 -2.867 4.861 1.00 0.00 H new ATOM 1211 N ALA A 77 14.312 -6.449 6.511 1.00 0.00 N ATOM 1212 CA ALA A 77 15.210 -7.377 7.187 1.00 0.00 C ATOM 1213 C ALA A 77 16.188 -8.009 6.203 1.00 0.00 C ATOM 1214 O ALA A 77 17.396 -7.792 6.288 1.00 0.00 O ATOM 1215 CB ALA A 77 14.413 -8.454 7.907 1.00 0.00 C ATOM 0 H ALA A 77 13.337 -6.516 6.804 1.00 0.00 H new ATOM 0 HA ALA A 77 15.786 -6.815 7.922 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.097 -9.140 8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.759 -7.990 8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.811 -9.005 7.185 1.00 0.00 H new ATOM 1221 N GLU A 78 15.658 -8.794 5.270 1.00 0.00 N ATOM 1222 CA GLU A 78 16.485 -9.459 4.270 1.00 0.00 C ATOM 1223 C GLU A 78 17.595 -8.533 3.780 1.00 0.00 C ATOM 1224 O GLU A 78 18.668 -8.988 3.383 1.00 0.00 O ATOM 1225 CB GLU A 78 15.628 -9.917 3.088 1.00 0.00 C ATOM 1226 CG GLU A 78 14.961 -11.264 3.306 1.00 0.00 C ATOM 1227 CD GLU A 78 15.916 -12.306 3.856 1.00 0.00 C ATOM 1228 OE1 GLU A 78 17.120 -12.239 3.531 1.00 0.00 O ATOM 1229 OE2 GLU A 78 15.459 -13.188 4.613 1.00 0.00 O ATOM 0 H GLU A 78 14.660 -8.985 5.186 1.00 0.00 H new ATOM 0 HA GLU A 78 16.942 -10.332 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.860 -9.168 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.253 -9.970 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.125 -11.144 3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.548 -11.618 2.361 1.00 0.00 H new ATOM 1236 N HIS A 79 17.328 -7.231 3.809 1.00 0.00 N ATOM 1237 CA HIS A 79 18.303 -6.241 3.368 1.00 0.00 C ATOM 1238 C HIS A 79 19.191 -5.798 4.527 1.00 0.00 C ATOM 1239 O HIS A 79 20.394 -5.593 4.359 1.00 0.00 O ATOM 1240 CB HIS A 79 17.593 -5.030 2.762 1.00 0.00 C ATOM 1241 CG HIS A 79 18.395 -3.767 2.835 1.00 0.00 C ATOM 1242 ND1 HIS A 79 19.447 -3.493 1.987 1.00 0.00 N ATOM 1243 CD2 HIS A 79 18.292 -2.699 3.661 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.959 -2.313 2.289 1.00 0.00 C ATOM 1245 NE2 HIS A 79 19.275 -1.810 3.301 1.00 0.00 N ATOM 0 H HIS A 79 16.445 -6.838 4.133 1.00 0.00 H new ATOM 0 HA HIS A 79 18.933 -6.702 2.607 1.00 0.00 H new ATOM 0 HB2 HIS A 79 17.358 -5.242 1.719 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.645 -4.879 3.278 1.00 0.00 H new ATOM 0 HD1 HIS A 79 19.779 -4.106 1.242 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.571 -2.570 4.455 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.794 -1.840 1.793 1.00 0.00 H new ATOM 1253 N LEU A 80 18.590 -5.651 5.703 1.00 0.00 N ATOM 1254 CA LEU A 80 19.326 -5.231 6.891 1.00 0.00 C ATOM 1255 C LEU A 80 20.602 -6.049 7.058 1.00 0.00 C ATOM 1256 O LEU A 80 21.682 -5.496 7.261 1.00 0.00 O ATOM 1257 CB LEU A 80 18.448 -5.375 8.135 1.00 0.00 C ATOM 1258 CG LEU A 80 17.406 -4.277 8.352 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.396 -4.701 9.407 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.081 -2.973 8.751 1.00 0.00 C ATOM 0 H LEU A 80 17.596 -5.816 5.859 1.00 0.00 H new ATOM 0 HA LEU A 80 19.602 -4.184 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.931 -6.333 8.081 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.096 -5.411 9.011 1.00 0.00 H new ATOM 0 HG LEU A 80 16.875 -4.116 7.414 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.662 -3.907 9.548 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.890 -5.610 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.911 -4.890 10.349 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.324 -2.203 8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.638 -3.120 9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.765 -2.661 7.962 1.00 0.00 H new ATOM 1272 N GLU A 81 20.470 -7.369 6.968 1.00 0.00 N ATOM 1273 CA GLU A 81 21.614 -8.262 7.108 1.00 0.00 C ATOM 1274 C GLU A 81 22.736 -7.862 6.156 1.00 0.00 C ATOM 1275 O GLU A 81 23.916 -8.023 6.467 1.00 0.00 O ATOM 1276 CB GLU A 81 21.195 -9.709 6.841 1.00 0.00 C ATOM 1277 CG GLU A 81 20.291 -9.867 5.629 1.00 0.00 C ATOM 1278 CD GLU A 81 20.316 -11.273 5.062 1.00 0.00 C ATOM 1279 OE1 GLU A 81 21.413 -11.743 4.691 1.00 0.00 O ATOM 1280 OE2 GLU A 81 19.241 -11.904 4.988 1.00 0.00 O ATOM 0 H GLU A 81 19.583 -7.843 6.799 1.00 0.00 H new ATOM 0 HA GLU A 81 21.983 -8.181 8.131 1.00 0.00 H new ATOM 0 HB2 GLU A 81 22.089 -10.317 6.699 1.00 0.00 H new ATOM 0 HB3 GLU A 81 20.681 -10.098 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.269 -9.609 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 81 20.599 -9.162 4.857 1.00 0.00 H new ATOM 1287 N MET A 82 22.360 -7.340 4.993 1.00 0.00 N ATOM 1288 CA MET A 82 23.335 -6.916 3.995 1.00 0.00 C ATOM 1289 C MET A 82 23.346 -5.397 3.857 1.00 0.00 C ATOM 1290 O MET A 82 23.927 -4.852 2.918 1.00 0.00 O ATOM 1291 CB MET A 82 23.024 -7.559 2.642 1.00 0.00 C ATOM 1292 CG MET A 82 21.689 -7.129 2.057 1.00 0.00 C ATOM 1293 SD MET A 82 21.670 -7.183 0.254 1.00 0.00 S ATOM 1294 CE MET A 82 22.553 -5.675 -0.138 1.00 0.00 C ATOM 0 H MET A 82 21.388 -7.201 4.719 1.00 0.00 H new ATOM 0 HA MET A 82 24.321 -7.241 4.326 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.818 -7.307 1.938 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.030 -8.643 2.754 1.00 0.00 H new ATOM 0 HG2 MET A 82 20.902 -7.776 2.444 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.461 -6.116 2.389 1.00 0.00 H new ATOM 0 HE1 MET A 82 22.532 -5.511 -1.215 1.00 0.00 H new ATOM 0 HE2 MET A 82 22.078 -4.834 0.367 1.00 0.00 H new ATOM 0 HE3 MET A 82 23.587 -5.762 0.196 1.00 0.00 H new ATOM 1304 N CYS A 83 22.701 -4.717 4.799 1.00 0.00 N ATOM 1305 CA CYS A 83 22.637 -3.261 4.784 1.00 0.00 C ATOM 1306 C CYS A 83 23.920 -2.653 5.342 1.00 0.00 C ATOM 1307 O CYS A 83 24.449 -3.088 6.365 1.00 0.00 O ATOM 1308 CB CYS A 83 21.434 -2.774 5.595 1.00 0.00 C ATOM 1309 SG CYS A 83 21.437 -0.982 5.926 1.00 0.00 S ATOM 0 H CYS A 83 22.215 -5.152 5.583 1.00 0.00 H new ATOM 0 HA CYS A 83 22.524 -2.939 3.749 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.520 -3.032 5.060 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.409 -3.308 6.545 1.00 0.00 H new ATOM 1314 N PRO A 84 24.435 -1.622 4.655 1.00 0.00 N ATOM 1315 CA PRO A 84 25.662 -0.932 5.063 1.00 0.00 C ATOM 1316 C PRO A 84 25.471 -0.115 6.336 1.00 0.00 C ATOM 1317 O PRO A 84 26.247 -0.235 7.284 1.00 0.00 O ATOM 1318 CB PRO A 84 25.962 -0.012 3.877 1.00 0.00 C ATOM 1319 CG PRO A 84 24.640 0.219 3.232 1.00 0.00 C ATOM 1320 CD PRO A 84 23.857 -1.051 3.427 1.00 0.00 C ATOM 0 HA PRO A 84 26.466 -1.631 5.292 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.411 0.925 4.207 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.665 -0.475 3.184 1.00 0.00 H new ATOM 0 HG2 PRO A 84 24.127 1.067 3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.757 0.447 2.172 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.791 -0.853 3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.968 -1.726 2.579 1.00 0.00 H new ATOM 1328 N ALA A 85 24.433 0.715 6.352 1.00 0.00 N ATOM 1329 CA ALA A 85 24.139 1.550 7.510 1.00 0.00 C ATOM 1330 C ALA A 85 23.971 0.704 8.768 1.00 0.00 C ATOM 1331 O ALA A 85 24.185 1.181 9.882 1.00 0.00 O ATOM 1332 CB ALA A 85 22.889 2.380 7.259 1.00 0.00 C ATOM 0 H ALA A 85 23.781 0.827 5.575 1.00 0.00 H new ATOM 0 HA ALA A 85 24.983 2.222 7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.682 2.999 8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 85 23.045 3.019 6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 85 22.043 1.718 7.075 1.00 0.00 H new ATOM 1338 N SER A 86 23.585 -0.554 8.582 1.00 0.00 N ATOM 1339 CA SER A 86 23.383 -1.465 9.702 1.00 0.00 C ATOM 1340 C SER A 86 24.691 -1.705 10.450 1.00 0.00 C ATOM 1341 O SER A 86 24.692 -2.163 11.592 1.00 0.00 O ATOM 1342 CB SER A 86 22.813 -2.797 9.208 1.00 0.00 C ATOM 1343 OG SER A 86 21.397 -2.767 9.181 1.00 0.00 O ATOM 0 H SER A 86 23.406 -0.966 7.666 1.00 0.00 H new ATOM 0 HA SER A 86 22.671 -1.005 10.388 1.00 0.00 H new ATOM 0 HB2 SER A 86 23.194 -3.011 8.210 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.150 -3.604 9.858 1.00 0.00 H new ATOM 0 HG SER A 86 21.058 -3.629 8.860 1.00 0.00 H new ATOM 1349 N VAL A 87 25.805 -1.392 9.796 1.00 0.00 N ATOM 1350 CA VAL A 87 27.121 -1.571 10.397 1.00 0.00 C ATOM 1351 C VAL A 87 27.154 -2.808 11.289 1.00 0.00 C ATOM 1352 O VAL A 87 27.828 -2.825 12.319 1.00 0.00 O ATOM 1353 CB VAL A 87 27.531 -0.341 11.228 1.00 0.00 C ATOM 1354 CG1 VAL A 87 27.496 0.917 10.374 1.00 0.00 C ATOM 1355 CG2 VAL A 87 26.628 -0.195 12.444 1.00 0.00 C ATOM 0 H VAL A 87 25.822 -1.013 8.849 1.00 0.00 H new ATOM 0 HA VAL A 87 27.829 -1.698 9.578 1.00 0.00 H new ATOM 0 HB VAL A 87 28.553 -0.485 11.578 1.00 0.00 H new ATOM 0 HG11 VAL A 87 27.789 1.775 10.979 1.00 0.00 H new ATOM 0 HG12 VAL A 87 28.188 0.809 9.538 1.00 0.00 H new ATOM 0 HG13 VAL A 87 26.487 1.070 9.992 1.00 0.00 H new ATOM 0 HG21 VAL A 87 26.932 0.679 13.020 1.00 0.00 H new ATOM 0 HG22 VAL A 87 25.595 -0.073 12.118 1.00 0.00 H new ATOM 0 HG23 VAL A 87 26.709 -1.086 13.067 1.00 0.00 H new ATOM 1365 N SER A 88 26.422 -3.841 10.885 1.00 0.00 N ATOM 1366 CA SER A 88 26.364 -5.082 11.649 1.00 0.00 C ATOM 1367 C SER A 88 27.377 -6.093 11.121 1.00 0.00 C ATOM 1368 O SER A 88 27.941 -5.918 10.042 1.00 0.00 O ATOM 1369 CB SER A 88 24.955 -5.676 11.592 1.00 0.00 C ATOM 1370 OG SER A 88 24.630 -6.090 10.276 1.00 0.00 O ATOM 0 H SER A 88 25.861 -3.843 10.033 1.00 0.00 H new ATOM 0 HA SER A 88 26.612 -4.853 12.686 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.887 -6.526 12.271 1.00 0.00 H new ATOM 0 HB3 SER A 88 24.231 -4.936 11.933 1.00 0.00 H new ATOM 0 HG SER A 88 23.726 -6.468 10.266 1.00 0.00 H new ATOM 1376 N GLY A 89 27.603 -7.153 11.891 1.00 0.00 N ATOM 1377 CA GLY A 89 28.547 -8.177 11.486 1.00 0.00 C ATOM 1378 C GLY A 89 29.979 -7.678 11.485 1.00 0.00 C ATOM 1379 O GLY A 89 30.241 -6.480 11.586 1.00 0.00 O ATOM 0 H GLY A 89 27.149 -7.320 12.789 1.00 0.00 H new ATOM 0 HA2 GLY A 89 28.463 -9.030 12.159 1.00 0.00 H new ATOM 0 HA3 GLY A 89 28.288 -8.531 10.488 1.00 0.00 H new ATOM 1383 N PRO A 90 30.935 -8.612 11.370 1.00 0.00 N ATOM 1384 CA PRO A 90 32.364 -8.284 11.356 1.00 0.00 C ATOM 1385 C PRO A 90 32.779 -7.562 10.079 1.00 0.00 C ATOM 1386 O PRO A 90 33.886 -7.030 9.988 1.00 0.00 O ATOM 1387 CB PRO A 90 33.042 -9.654 11.440 1.00 0.00 C ATOM 1388 CG PRO A 90 32.046 -10.606 10.876 1.00 0.00 C ATOM 1389 CD PRO A 90 30.695 -10.059 11.246 1.00 0.00 C ATOM 0 HA PRO A 90 32.636 -7.608 12.167 1.00 0.00 H new ATOM 0 HB2 PRO A 90 33.972 -9.671 10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 90 33.294 -9.908 12.470 1.00 0.00 H new ATOM 0 HG2 PRO A 90 32.152 -10.686 9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 90 32.187 -11.606 11.285 1.00 0.00 H new ATOM 0 HD2 PRO A 90 29.950 -10.279 10.482 1.00 0.00 H new ATOM 0 HD3 PRO A 90 30.330 -10.487 12.180 1.00 0.00 H new ATOM 1397 N SER A 91 31.886 -7.547 9.095 1.00 0.00 N ATOM 1398 CA SER A 91 32.162 -6.892 7.822 1.00 0.00 C ATOM 1399 C SER A 91 31.796 -5.412 7.881 1.00 0.00 C ATOM 1400 O SER A 91 30.725 -5.007 7.428 1.00 0.00 O ATOM 1401 CB SER A 91 31.387 -7.576 6.694 1.00 0.00 C ATOM 1402 OG SER A 91 31.967 -8.825 6.361 1.00 0.00 O ATOM 0 H SER A 91 30.965 -7.981 9.155 1.00 0.00 H new ATOM 0 HA SER A 91 33.230 -6.976 7.623 1.00 0.00 H new ATOM 0 HB2 SER A 91 30.350 -7.722 6.998 1.00 0.00 H new ATOM 0 HB3 SER A 91 31.374 -6.932 5.815 1.00 0.00 H new ATOM 0 HG SER A 91 31.452 -9.243 5.639 1.00 0.00 H new ATOM 1408 N SER A 92 32.693 -4.609 8.444 1.00 0.00 N ATOM 1409 CA SER A 92 32.464 -3.174 8.567 1.00 0.00 C ATOM 1410 C SER A 92 33.700 -2.388 8.140 1.00 0.00 C ATOM 1411 O SER A 92 34.828 -2.762 8.458 1.00 0.00 O ATOM 1412 CB SER A 92 32.092 -2.817 10.007 1.00 0.00 C ATOM 1413 OG SER A 92 33.123 -3.186 10.907 1.00 0.00 O ATOM 0 H SER A 92 33.585 -4.928 8.822 1.00 0.00 H new ATOM 0 HA SER A 92 31.638 -2.905 7.908 1.00 0.00 H new ATOM 0 HB2 SER A 92 31.905 -1.746 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 92 31.166 -3.322 10.283 1.00 0.00 H new ATOM 0 HG SER A 92 32.861 -2.946 11.820 1.00 0.00 H new ATOM 1419 N GLY A 93 33.478 -1.295 7.415 1.00 0.00 N ATOM 1420 CA GLY A 93 34.582 -0.473 6.955 1.00 0.00 C ATOM 1421 C GLY A 93 34.179 0.973 6.743 1.00 0.00 C ATOM 1422 O GLY A 93 35.026 1.865 6.734 1.00 0.00 O ATOM 0 H GLY A 93 32.553 -0.965 7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 93 35.392 -0.518 7.683 1.00 0.00 H new ATOM 0 HA3 GLY A 93 34.969 -0.880 6.021 1.00 0.00 H new TER 1426 GLY A 93 HETATM 1427 ZN ZN A 401 -15.521 3.077 4.163 1.00 0.00 ZN HETATM 1428 ZN ZN A 501 -17.639 -2.845 7.274 1.00 0.00 ZN HETATM 1429 ZN ZN A 601 -2.086 -4.557 3.259 1.00 0.00 ZN HETATM 1430 ZN ZN A 701 19.678 -0.247 4.564 1.00 0.00 ZN