USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 THR OG1 : rot 180:sc= -0.0232 USER MOD Set 1.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -173:sc= -0.134 (180deg=-0.18) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) 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 16 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0326) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.104 F(o=-0.75,f=-0.1) USER MOD Single : A 18 THR OG1 : rot 51:sc= 0.0275 USER MOD Single : A 24 SER OG : rot 180:sc= 0.00688 USER MOD Single : A 27 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.036) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.623 X(o=-0.62,f=-0.63) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00206 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -2.83 F(o=-4!,f=-2.8) USER MOD Single : A 50 THR OG1 : rot 180:sc=-0.00259 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 100:sc= -1.05 USER MOD Single : A 60 ASN : amide:sc= -0.643 K(o=-0.64,f=-1.6!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00113 USER MOD Single : A 66 LYS NZ :NH3+ 165:sc= 0.0744 (180deg=-0.173) USER MOD Single : A 68 GLN : amide:sc= -0.0634 K(o=-0.063,f=-0.56) USER MOD Single : A 69 SER OG : rot 108:sc= 0.907 USER MOD Single : A 71 SER OG : rot 127:sc= 1.31 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= -0.0182 (180deg=-0.247) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.00184 USER MOD Single : A 102 LYS NZ :NH3+ -176:sc= 2.41 (180deg=2.37) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.240 -22.942 -39.485 1.00 0.00 N ATOM 2 CA GLY A 1 -4.905 -22.591 -38.919 1.00 0.00 C ATOM 3 C GLY A 1 -4.799 -21.121 -38.550 1.00 0.00 C ATOM 4 O GLY A 1 -3.871 -20.713 -37.839 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.304 -23.972 -39.610 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.987 -22.625 -38.835 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.361 -22.474 -40.406 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.718 -23.199 -38.034 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.130 -22.837 -39.645 1.00 0.00 H new ATOM 7 N SER A 2 -5.740 -20.322 -39.032 1.00 0.00 N ATOM 8 CA SER A 2 -5.756 -18.904 -38.746 1.00 0.00 C ATOM 9 C SER A 2 -6.295 -18.669 -37.337 1.00 0.00 C ATOM 10 O SER A 2 -7.496 -18.801 -37.076 1.00 0.00 O ATOM 11 CB SER A 2 -6.604 -18.159 -39.792 1.00 0.00 C ATOM 12 OG SER A 2 -6.415 -16.752 -39.712 1.00 0.00 O ATOM 0 H SER A 2 -6.505 -20.639 -39.627 1.00 0.00 H new ATOM 0 HA SER A 2 -4.739 -18.514 -38.798 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.339 -18.506 -40.791 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.658 -18.394 -39.642 1.00 0.00 H new ATOM 0 HG SER A 2 -6.966 -16.309 -40.390 1.00 0.00 H new ATOM 18 N MET A 3 -5.402 -18.348 -36.427 1.00 0.00 N ATOM 19 CA MET A 3 -5.770 -18.134 -35.043 1.00 0.00 C ATOM 20 C MET A 3 -5.755 -16.659 -34.701 1.00 0.00 C ATOM 21 O MET A 3 -5.044 -15.870 -35.334 1.00 0.00 O ATOM 22 CB MET A 3 -4.822 -18.896 -34.113 1.00 0.00 C ATOM 23 CG MET A 3 -4.852 -20.401 -34.305 1.00 0.00 C ATOM 24 SD MET A 3 -3.670 -21.263 -33.254 1.00 0.00 S ATOM 25 CE MET A 3 -4.012 -22.963 -33.709 1.00 0.00 C ATOM 0 H MET A 3 -4.408 -18.228 -36.622 1.00 0.00 H new ATOM 0 HA MET A 3 -6.783 -18.511 -34.902 1.00 0.00 H new ATOM 0 HB2 MET A 3 -3.805 -18.539 -34.275 1.00 0.00 H new ATOM 0 HB3 MET A 3 -5.080 -18.666 -33.079 1.00 0.00 H new ATOM 0 HG2 MET A 3 -5.856 -20.770 -34.093 1.00 0.00 H new ATOM 0 HG3 MET A 3 -4.640 -20.634 -35.349 1.00 0.00 H new ATOM 0 HE1 MET A 3 -3.360 -23.629 -33.144 1.00 0.00 H new ATOM 0 HE2 MET A 3 -5.053 -23.197 -33.485 1.00 0.00 H new ATOM 0 HE3 MET A 3 -3.832 -23.098 -34.776 1.00 0.00 H new ATOM 35 N SER A 4 -6.531 -16.285 -33.700 1.00 0.00 N ATOM 36 CA SER A 4 -6.590 -14.908 -33.251 1.00 0.00 C ATOM 37 C SER A 4 -5.432 -14.621 -32.296 1.00 0.00 C ATOM 38 O SER A 4 -5.628 -14.223 -31.146 1.00 0.00 O ATOM 39 CB SER A 4 -7.931 -14.634 -32.573 1.00 0.00 C ATOM 40 OG SER A 4 -9.012 -14.940 -33.448 1.00 0.00 O ATOM 0 H SER A 4 -7.133 -16.923 -33.179 1.00 0.00 H new ATOM 0 HA SER A 4 -6.500 -14.247 -34.113 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.013 -15.230 -31.664 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.985 -13.587 -32.273 1.00 0.00 H new ATOM 0 HG SER A 4 -9.862 -14.759 -32.994 1.00 0.00 H new ATOM 46 N SER A 5 -4.232 -14.852 -32.781 1.00 0.00 N ATOM 47 CA SER A 5 -3.034 -14.648 -32.014 1.00 0.00 C ATOM 48 C SER A 5 -1.944 -14.095 -32.916 1.00 0.00 C ATOM 49 O SER A 5 -1.804 -14.528 -34.062 1.00 0.00 O ATOM 50 CB SER A 5 -2.586 -15.972 -31.390 1.00 0.00 C ATOM 51 OG SER A 5 -3.622 -16.531 -30.589 1.00 0.00 O ATOM 0 H SER A 5 -4.064 -15.190 -33.729 1.00 0.00 H new ATOM 0 HA SER A 5 -3.230 -13.934 -31.214 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.309 -16.674 -32.176 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.697 -15.809 -30.781 1.00 0.00 H new ATOM 0 HG SER A 5 -3.315 -17.377 -30.201 1.00 0.00 H new ATOM 57 N VAL A 6 -1.198 -13.135 -32.414 1.00 0.00 N ATOM 58 CA VAL A 6 -0.135 -12.526 -33.174 1.00 0.00 C ATOM 59 C VAL A 6 1.023 -13.516 -33.407 1.00 0.00 C ATOM 60 O VAL A 6 1.816 -13.804 -32.508 1.00 0.00 O ATOM 61 CB VAL A 6 0.363 -11.206 -32.509 1.00 0.00 C ATOM 62 CG1 VAL A 6 0.820 -11.430 -31.071 1.00 0.00 C ATOM 63 CG2 VAL A 6 1.460 -10.557 -33.335 1.00 0.00 C ATOM 0 H VAL A 6 -1.312 -12.758 -31.473 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.541 -12.260 -34.150 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.485 -10.523 -32.476 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.159 -10.485 -30.646 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.011 -11.816 -30.481 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.639 -12.149 -31.057 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.788 -9.639 -32.847 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.303 -11.242 -33.423 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.077 -10.323 -34.329 1.00 0.00 H new ATOM 73 N PHE A 7 1.095 -14.040 -34.625 1.00 0.00 N ATOM 74 CA PHE A 7 2.113 -15.026 -34.988 1.00 0.00 C ATOM 75 C PHE A 7 3.466 -14.402 -35.066 1.00 0.00 C ATOM 76 O PHE A 7 4.483 -15.042 -34.792 1.00 0.00 O ATOM 77 CB PHE A 7 1.768 -15.718 -36.309 1.00 0.00 C ATOM 78 CG PHE A 7 0.468 -16.468 -36.280 1.00 0.00 C ATOM 79 CD1 PHE A 7 -0.654 -15.961 -36.917 1.00 0.00 C ATOM 80 CD2 PHE A 7 0.369 -17.679 -35.618 1.00 0.00 C ATOM 81 CE1 PHE A 7 -1.851 -16.650 -36.891 1.00 0.00 C ATOM 82 CE2 PHE A 7 -0.824 -18.370 -35.590 1.00 0.00 C ATOM 83 CZ PHE A 7 -1.934 -17.856 -36.226 1.00 0.00 C ATOM 0 H PHE A 7 0.458 -13.798 -35.384 1.00 0.00 H new ATOM 0 HA PHE A 7 2.130 -15.781 -34.202 1.00 0.00 H new ATOM 0 HB2 PHE A 7 1.727 -14.970 -37.100 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.570 -16.410 -36.566 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.592 -15.018 -37.439 1.00 0.00 H new ATOM 0 HD2 PHE A 7 1.235 -18.087 -35.118 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.719 -16.246 -37.390 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -0.889 -19.314 -35.070 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.868 -18.397 -36.204 1.00 0.00 H new ATOM 93 N GLY A 8 3.479 -13.163 -35.438 1.00 0.00 N ATOM 94 CA GLY A 8 4.694 -12.429 -35.511 1.00 0.00 C ATOM 95 C GLY A 8 5.300 -12.181 -34.141 1.00 0.00 C ATOM 96 O GLY A 8 6.500 -11.955 -34.020 1.00 0.00 O ATOM 0 H GLY A 8 2.647 -12.634 -35.699 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.408 -12.973 -36.129 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.510 -11.474 -36.003 1.00 0.00 H new ATOM 100 N ALA A 9 4.442 -12.225 -33.108 1.00 0.00 N ATOM 101 CA ALA A 9 4.840 -12.018 -31.699 1.00 0.00 C ATOM 102 C ALA A 9 5.507 -10.664 -31.469 1.00 0.00 C ATOM 103 O ALA A 9 6.121 -10.435 -30.424 1.00 0.00 O ATOM 104 CB ALA A 9 5.745 -13.142 -31.225 1.00 0.00 C ATOM 0 H ALA A 9 3.445 -12.406 -33.225 1.00 0.00 H new ATOM 0 HA ALA A 9 3.923 -12.026 -31.110 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.026 -12.970 -30.186 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.217 -14.092 -31.305 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.642 -13.172 -31.843 1.00 0.00 H new ATOM 110 N GLY A 10 5.358 -9.764 -32.420 1.00 0.00 N ATOM 111 CA GLY A 10 5.971 -8.463 -32.304 1.00 0.00 C ATOM 112 C GLY A 10 4.980 -7.387 -31.937 1.00 0.00 C ATOM 113 O GLY A 10 4.935 -6.344 -32.572 1.00 0.00 O ATOM 0 H GLY A 10 4.821 -9.911 -33.275 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.757 -8.501 -31.549 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.449 -8.205 -33.249 1.00 0.00 H new ATOM 117 N CYS A 11 4.175 -7.649 -30.924 1.00 0.00 N ATOM 118 CA CYS A 11 3.208 -6.674 -30.451 1.00 0.00 C ATOM 119 C CYS A 11 3.865 -5.700 -29.493 1.00 0.00 C ATOM 120 O CYS A 11 4.888 -6.008 -28.881 1.00 0.00 O ATOM 121 CB CYS A 11 2.024 -7.359 -29.766 1.00 0.00 C ATOM 122 SG CYS A 11 0.543 -7.523 -30.794 1.00 0.00 S ATOM 0 H CYS A 11 4.171 -8.531 -30.411 1.00 0.00 H new ATOM 0 HA CYS A 11 2.835 -6.127 -31.317 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.335 -8.352 -29.441 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.766 -6.796 -28.869 1.00 0.00 H new ATOM 127 N THR A 12 3.275 -4.540 -29.353 1.00 0.00 N ATOM 128 CA THR A 12 3.803 -3.529 -28.471 1.00 0.00 C ATOM 129 C THR A 12 2.953 -3.437 -27.211 1.00 0.00 C ATOM 130 O THR A 12 1.798 -3.875 -27.194 1.00 0.00 O ATOM 131 CB THR A 12 3.868 -2.143 -29.179 1.00 0.00 C ATOM 132 OG1 THR A 12 4.296 -1.132 -28.260 1.00 0.00 O ATOM 133 CG2 THR A 12 2.518 -1.758 -29.764 1.00 0.00 C ATOM 0 H THR A 12 2.422 -4.270 -29.843 1.00 0.00 H new ATOM 0 HA THR A 12 4.818 -3.815 -28.196 1.00 0.00 H new ATOM 0 HB THR A 12 4.589 -2.222 -29.993 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.334 -0.267 -28.719 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.596 -0.786 -30.251 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.211 -2.506 -30.495 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.777 -1.705 -28.966 1.00 0.00 H new ATOM 141 N ASP A 13 3.526 -2.897 -26.152 1.00 0.00 N ATOM 142 CA ASP A 13 2.798 -2.702 -24.907 1.00 0.00 C ATOM 143 C ASP A 13 1.719 -1.663 -25.121 1.00 0.00 C ATOM 144 O ASP A 13 0.644 -1.740 -24.543 1.00 0.00 O ATOM 145 CB ASP A 13 3.748 -2.257 -23.796 1.00 0.00 C ATOM 146 CG ASP A 13 3.039 -1.998 -22.481 1.00 0.00 C ATOM 147 OD1 ASP A 13 2.626 -0.843 -22.236 1.00 0.00 O ATOM 148 OD2 ASP A 13 2.912 -2.943 -21.676 1.00 0.00 O ATOM 0 H ASP A 13 4.496 -2.584 -26.127 1.00 0.00 H new ATOM 0 HA ASP A 13 2.341 -3.645 -24.606 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.509 -3.023 -23.648 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.265 -1.350 -24.109 1.00 0.00 H new ATOM 153 N THR A 14 2.004 -0.721 -26.011 1.00 0.00 N ATOM 154 CA THR A 14 1.073 0.342 -26.365 1.00 0.00 C ATOM 155 C THR A 14 -0.201 -0.243 -27.004 1.00 0.00 C ATOM 156 O THR A 14 -1.224 0.435 -27.152 1.00 0.00 O ATOM 157 CB THR A 14 1.747 1.317 -27.352 1.00 0.00 C ATOM 158 OG1 THR A 14 3.017 1.729 -26.825 1.00 0.00 O ATOM 159 CG2 THR A 14 0.881 2.535 -27.594 1.00 0.00 C ATOM 0 H THR A 14 2.892 -0.673 -26.510 1.00 0.00 H new ATOM 0 HA THR A 14 0.794 0.876 -25.457 1.00 0.00 H new ATOM 0 HB THR A 14 1.886 0.802 -28.302 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.447 2.347 -27.452 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.382 3.204 -28.294 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.076 2.224 -28.012 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.713 3.055 -26.651 1.00 0.00 H new ATOM 167 N CYS A 15 -0.128 -1.506 -27.345 1.00 0.00 N ATOM 168 CA CYS A 15 -1.220 -2.201 -27.966 1.00 0.00 C ATOM 169 C CYS A 15 -2.137 -2.830 -26.908 1.00 0.00 C ATOM 170 O CYS A 15 -3.190 -3.369 -27.218 1.00 0.00 O ATOM 171 CB CYS A 15 -0.655 -3.271 -28.871 1.00 0.00 C ATOM 172 SG CYS A 15 -1.838 -3.986 -29.983 1.00 0.00 S ATOM 0 H CYS A 15 0.700 -2.083 -27.196 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.816 -1.497 -28.547 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.162 -2.844 -29.453 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.228 -4.063 -28.255 1.00 0.00 H new ATOM 177 N LYS A 16 -1.724 -2.755 -25.657 1.00 0.00 N ATOM 178 CA LYS A 16 -2.510 -3.319 -24.563 1.00 0.00 C ATOM 179 C LYS A 16 -3.315 -2.231 -23.883 1.00 0.00 C ATOM 180 O LYS A 16 -3.898 -2.441 -22.820 1.00 0.00 O ATOM 181 CB LYS A 16 -1.589 -3.980 -23.535 1.00 0.00 C ATOM 182 CG LYS A 16 -0.611 -4.979 -24.124 1.00 0.00 C ATOM 183 CD LYS A 16 -1.321 -6.014 -24.966 1.00 0.00 C ATOM 184 CE LYS A 16 -0.421 -7.222 -25.233 1.00 0.00 C ATOM 185 NZ LYS A 16 0.853 -6.844 -25.906 1.00 0.00 N ATOM 0 H LYS A 16 -0.852 -2.312 -25.368 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.187 -4.067 -24.976 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.028 -3.204 -23.015 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.201 -4.486 -22.788 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.125 -4.454 -24.733 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.065 -5.473 -23.320 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.229 -6.339 -24.458 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.627 -5.569 -25.913 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.196 -7.720 -24.290 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.957 -7.941 -25.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.366 -7.704 -26.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.644 -6.274 -26.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.440 -6.289 -25.251 1.00 0.00 H new ATOM 199 N GLN A 17 -3.348 -1.071 -24.504 1.00 0.00 N ATOM 200 CA GLN A 17 -3.995 0.079 -23.913 1.00 0.00 C ATOM 201 C GLN A 17 -5.455 0.155 -24.319 1.00 0.00 C ATOM 202 O GLN A 17 -5.894 -0.541 -25.235 1.00 0.00 O ATOM 203 CB GLN A 17 -3.272 1.362 -24.320 1.00 0.00 C ATOM 204 CG GLN A 17 -1.753 1.289 -24.215 1.00 0.00 C ATOM 205 CD GLN A 17 -1.257 0.797 -22.868 1.00 0.00 C ATOM 206 OE1 GLN A 17 -0.956 -0.469 -22.775 1.00 0.00 O flip ATOM 207 NE2 GLN A 17 -1.100 1.580 -21.934 1.00 0.00 N flip ATOM 0 H GLN A 17 -2.933 -0.900 -25.420 1.00 0.00 H new ATOM 0 HA GLN A 17 -3.947 -0.030 -22.829 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.542 1.606 -25.347 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.628 2.180 -23.694 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -1.375 0.628 -24.995 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -1.337 2.278 -24.406 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.347 2.563 -22.046 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.722 1.247 -21.047 1.00 0.00 H new ATOM 216 N THR A 18 -6.199 1.002 -23.636 1.00 0.00 N ATOM 217 CA THR A 18 -7.607 1.203 -23.917 1.00 0.00 C ATOM 218 C THR A 18 -7.966 2.696 -23.847 1.00 0.00 C ATOM 219 O THR A 18 -8.074 3.263 -22.760 1.00 0.00 O ATOM 220 CB THR A 18 -8.496 0.407 -22.928 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.950 0.496 -21.597 1.00 0.00 O ATOM 222 CG2 THR A 18 -8.598 -1.057 -23.341 1.00 0.00 C ATOM 0 H THR A 18 -5.843 1.572 -22.868 1.00 0.00 H new ATOM 0 HA THR A 18 -7.796 0.836 -24.926 1.00 0.00 H new ATOM 0 HB THR A 18 -9.496 0.842 -22.944 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.778 1.435 -21.376 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.227 -1.593 -22.630 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.037 -1.124 -24.337 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.603 -1.502 -23.352 1.00 0.00 H new ATOM 230 N PRO A 19 -8.112 3.371 -25.006 1.00 0.00 N ATOM 231 CA PRO A 19 -7.928 2.752 -26.340 1.00 0.00 C ATOM 232 C PRO A 19 -6.445 2.492 -26.667 1.00 0.00 C ATOM 233 O PRO A 19 -5.555 3.029 -26.002 1.00 0.00 O ATOM 234 CB PRO A 19 -8.496 3.812 -27.289 1.00 0.00 C ATOM 235 CG PRO A 19 -8.304 5.109 -26.572 1.00 0.00 C ATOM 236 CD PRO A 19 -8.484 4.810 -25.106 1.00 0.00 C ATOM 0 HA PRO A 19 -8.412 1.778 -26.411 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.973 3.808 -28.245 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.549 3.629 -27.501 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.313 5.518 -26.767 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.027 5.851 -26.910 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.843 5.436 -24.485 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.510 4.984 -24.782 1.00 0.00 H new ATOM 244 N CYS A 20 -6.188 1.649 -27.675 1.00 0.00 N ATOM 245 CA CYS A 20 -4.824 1.353 -28.101 1.00 0.00 C ATOM 246 C CYS A 20 -4.108 2.615 -28.541 1.00 0.00 C ATOM 247 O CYS A 20 -4.675 3.447 -29.248 1.00 0.00 O ATOM 248 CB CYS A 20 -4.811 0.333 -29.246 1.00 0.00 C ATOM 249 SG CYS A 20 -4.912 -1.393 -28.723 1.00 0.00 S ATOM 0 H CYS A 20 -6.909 1.163 -28.207 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.302 0.927 -27.244 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -5.647 0.546 -29.913 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.898 0.470 -29.825 1.00 0.00 H new ATOM 254 N GLY A 21 -2.861 2.749 -28.132 1.00 0.00 N ATOM 255 CA GLY A 21 -2.099 3.921 -28.485 1.00 0.00 C ATOM 256 C GLY A 21 -1.498 3.822 -29.870 1.00 0.00 C ATOM 257 O GLY A 21 -0.876 4.768 -30.349 1.00 0.00 O ATOM 0 H GLY A 21 -2.362 2.066 -27.561 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.743 4.799 -28.433 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.302 4.066 -27.756 1.00 0.00 H new ATOM 261 N CYS A 22 -1.662 2.666 -30.510 1.00 0.00 N ATOM 262 CA CYS A 22 -1.146 2.471 -31.859 1.00 0.00 C ATOM 263 C CYS A 22 -1.812 3.436 -32.839 1.00 0.00 C ATOM 264 O CYS A 22 -1.151 4.285 -33.442 1.00 0.00 O ATOM 265 CB CYS A 22 -1.355 1.028 -32.338 1.00 0.00 C ATOM 266 SG CYS A 22 -0.139 -0.161 -31.733 1.00 0.00 S ATOM 0 H CYS A 22 -2.145 1.857 -30.118 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.075 2.673 -31.827 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.347 0.699 -32.029 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.340 1.017 -33.428 1.00 0.00 H new ATOM 271 N GLY A 23 -3.127 3.303 -32.981 1.00 0.00 N ATOM 272 CA GLY A 23 -3.873 4.149 -33.888 1.00 0.00 C ATOM 273 C GLY A 23 -3.499 3.900 -35.329 1.00 0.00 C ATOM 274 O GLY A 23 -3.680 2.799 -35.842 1.00 0.00 O ATOM 0 H GLY A 23 -3.691 2.618 -32.478 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.940 3.972 -33.754 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.690 5.195 -33.641 1.00 0.00 H new ATOM 278 N SER A 24 -2.955 4.912 -35.971 1.00 0.00 N ATOM 279 CA SER A 24 -2.544 4.805 -37.354 1.00 0.00 C ATOM 280 C SER A 24 -1.039 4.562 -37.450 1.00 0.00 C ATOM 281 O SER A 24 -0.447 4.671 -38.525 1.00 0.00 O ATOM 282 CB SER A 24 -2.938 6.075 -38.107 1.00 0.00 C ATOM 283 OG SER A 24 -2.531 7.239 -37.397 1.00 0.00 O ATOM 0 H SER A 24 -2.786 5.826 -35.552 1.00 0.00 H new ATOM 0 HA SER A 24 -3.050 3.954 -37.811 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.482 6.071 -39.097 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.018 6.094 -38.254 1.00 0.00 H new ATOM 0 HG SER A 24 -2.793 8.038 -37.901 1.00 0.00 H new ATOM 289 N GLY A 25 -0.434 4.236 -36.320 1.00 0.00 N ATOM 290 CA GLY A 25 0.985 3.974 -36.275 1.00 0.00 C ATOM 291 C GLY A 25 1.290 2.780 -35.405 1.00 0.00 C ATOM 292 O GLY A 25 1.678 2.928 -34.246 1.00 0.00 O ATOM 0 H GLY A 25 -0.910 4.148 -35.422 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.357 3.797 -37.284 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.508 4.850 -35.891 1.00 0.00 H new ATOM 296 N CYS A 26 1.103 1.603 -35.954 1.00 0.00 N ATOM 297 CA CYS A 26 1.317 0.370 -35.218 1.00 0.00 C ATOM 298 C CYS A 26 2.778 0.009 -35.126 1.00 0.00 C ATOM 299 O CYS A 26 3.577 0.345 -36.007 1.00 0.00 O ATOM 300 CB CYS A 26 0.579 -0.771 -35.889 1.00 0.00 C ATOM 301 SG CYS A 26 -1.154 -0.452 -36.155 1.00 0.00 S ATOM 0 H CYS A 26 0.800 1.468 -36.919 1.00 0.00 H new ATOM 0 HA CYS A 26 0.937 0.532 -34.209 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.051 -0.982 -36.849 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.684 -1.668 -35.278 1.00 0.00 H new ATOM 306 N ASN A 27 3.123 -0.660 -34.051 1.00 0.00 N ATOM 307 CA ASN A 27 4.455 -1.194 -33.868 1.00 0.00 C ATOM 308 C ASN A 27 4.328 -2.693 -33.626 1.00 0.00 C ATOM 309 O ASN A 27 5.282 -3.375 -33.258 1.00 0.00 O ATOM 310 CB ASN A 27 5.169 -0.497 -32.696 1.00 0.00 C ATOM 311 CG ASN A 27 6.677 -0.731 -32.690 1.00 0.00 C ATOM 312 OD1 ASN A 27 7.426 -0.022 -33.360 1.00 0.00 O ATOM 313 ND2 ASN A 27 7.131 -1.704 -31.924 1.00 0.00 N ATOM 0 H ASN A 27 2.488 -0.851 -33.276 1.00 0.00 H new ATOM 0 HA ASN A 27 5.060 -1.013 -34.757 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.974 0.574 -32.745 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.748 -0.855 -31.757 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.133 -1.888 -31.874 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.480 -2.272 -31.382 1.00 0.00 H new ATOM 320 N CYS A 28 3.115 -3.194 -33.843 1.00 0.00 N ATOM 321 CA CYS A 28 2.819 -4.596 -33.685 1.00 0.00 C ATOM 322 C CYS A 28 2.839 -5.286 -35.048 1.00 0.00 C ATOM 323 O CYS A 28 3.347 -4.731 -36.026 1.00 0.00 O ATOM 324 CB CYS A 28 1.453 -4.782 -33.008 1.00 0.00 C ATOM 325 SG CYS A 28 0.053 -4.144 -33.954 1.00 0.00 S ATOM 0 H CYS A 28 2.316 -2.631 -34.133 1.00 0.00 H new ATOM 0 HA CYS A 28 3.580 -5.049 -33.049 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.296 -5.845 -32.823 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.473 -4.289 -32.036 1.00 0.00 H new ATOM 330 N LYS A 29 2.289 -6.479 -35.116 1.00 0.00 N ATOM 331 CA LYS A 29 2.276 -7.232 -36.353 1.00 0.00 C ATOM 332 C LYS A 29 0.869 -7.288 -36.920 1.00 0.00 C ATOM 333 O LYS A 29 -0.101 -7.088 -36.198 1.00 0.00 O ATOM 334 CB LYS A 29 2.800 -8.641 -36.109 1.00 0.00 C ATOM 335 CG LYS A 29 4.177 -8.678 -35.458 1.00 0.00 C ATOM 336 CD LYS A 29 5.243 -8.059 -36.353 1.00 0.00 C ATOM 337 CE LYS A 29 5.437 -8.878 -37.622 1.00 0.00 C ATOM 338 NZ LYS A 29 6.375 -8.227 -38.563 1.00 0.00 N ATOM 0 H LYS A 29 1.844 -6.950 -34.328 1.00 0.00 H new ATOM 0 HA LYS A 29 2.923 -6.734 -37.075 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.094 -9.177 -35.475 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.843 -9.173 -37.059 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.145 -8.144 -34.509 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.445 -9.710 -35.234 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.956 -7.040 -36.614 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.186 -7.995 -35.810 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.813 -9.867 -37.361 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.474 -9.022 -38.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.479 -8.817 -39.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.004 -7.293 -38.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.302 -8.112 -38.106 1.00 0.00 H new ATOM 352 N GLU A 30 0.757 -7.585 -38.203 1.00 0.00 N ATOM 353 CA GLU A 30 -0.547 -7.630 -38.856 1.00 0.00 C ATOM 354 C GLU A 30 -1.306 -8.905 -38.507 1.00 0.00 C ATOM 355 O GLU A 30 -2.446 -9.091 -38.916 1.00 0.00 O ATOM 356 CB GLU A 30 -0.408 -7.463 -40.370 1.00 0.00 C ATOM 357 CG GLU A 30 0.344 -8.569 -41.073 1.00 0.00 C ATOM 358 CD GLU A 30 0.655 -8.211 -42.514 1.00 0.00 C ATOM 359 OE1 GLU A 30 0.106 -7.224 -43.008 1.00 0.00 O ATOM 360 OE2 GLU A 30 1.496 -8.896 -43.127 1.00 0.00 O ATOM 0 H GLU A 30 1.546 -7.798 -38.813 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.133 -6.792 -38.479 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.405 -7.390 -40.804 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.097 -6.518 -40.570 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.273 -8.772 -40.540 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.247 -9.485 -41.045 1.00 0.00 H new ATOM 367 N ASP A 31 -0.663 -9.767 -37.728 1.00 0.00 N ATOM 368 CA ASP A 31 -1.279 -11.010 -37.261 1.00 0.00 C ATOM 369 C ASP A 31 -2.308 -10.695 -36.178 1.00 0.00 C ATOM 370 O ASP A 31 -3.146 -11.532 -35.823 1.00 0.00 O ATOM 371 CB ASP A 31 -0.213 -11.938 -36.666 1.00 0.00 C ATOM 372 CG ASP A 31 0.956 -12.182 -37.573 1.00 0.00 C ATOM 373 OD1 ASP A 31 0.850 -13.023 -38.474 1.00 0.00 O ATOM 374 OD2 ASP A 31 2.005 -11.538 -37.363 1.00 0.00 O ATOM 0 H ASP A 31 0.294 -9.629 -37.402 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.760 -11.500 -38.108 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.148 -11.508 -35.732 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.675 -12.894 -36.419 1.00 0.00 H new ATOM 379 N CYS A 32 -2.217 -9.481 -35.658 1.00 0.00 N ATOM 380 CA CYS A 32 -3.071 -9.001 -34.590 1.00 0.00 C ATOM 381 C CYS A 32 -4.523 -8.826 -35.060 1.00 0.00 C ATOM 382 O CYS A 32 -4.775 -8.351 -36.169 1.00 0.00 O ATOM 383 CB CYS A 32 -2.514 -7.673 -34.075 1.00 0.00 C ATOM 384 SG CYS A 32 -3.439 -6.944 -32.719 1.00 0.00 S ATOM 0 H CYS A 32 -1.535 -8.792 -35.974 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.080 -9.740 -33.789 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.484 -7.828 -33.752 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.486 -6.962 -34.901 1.00 0.00 H new ATOM 389 N ARG A 33 -5.466 -9.207 -34.201 1.00 0.00 N ATOM 390 CA ARG A 33 -6.890 -9.095 -34.510 1.00 0.00 C ATOM 391 C ARG A 33 -7.540 -7.973 -33.715 1.00 0.00 C ATOM 392 O ARG A 33 -8.635 -8.136 -33.187 1.00 0.00 O ATOM 393 CB ARG A 33 -7.620 -10.413 -34.221 1.00 0.00 C ATOM 394 CG ARG A 33 -7.332 -11.513 -35.218 1.00 0.00 C ATOM 395 CD ARG A 33 -8.025 -11.273 -36.560 1.00 0.00 C ATOM 396 NE ARG A 33 -7.583 -12.262 -37.547 1.00 0.00 N ATOM 397 CZ ARG A 33 -8.362 -12.842 -38.457 1.00 0.00 C ATOM 398 NH1 ARG A 33 -9.636 -12.501 -38.569 1.00 0.00 N ATOM 399 NH2 ARG A 33 -7.855 -13.759 -39.267 1.00 0.00 N ATOM 0 H ARG A 33 -5.268 -9.598 -33.280 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.972 -8.867 -35.573 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.342 -10.759 -33.225 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.693 -10.225 -34.205 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.256 -11.586 -35.375 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.660 -12.468 -34.807 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.106 -11.333 -36.434 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.801 -10.268 -36.917 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.598 -12.527 -37.536 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.029 -11.788 -37.955 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.225 -12.951 -39.270 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -6.871 -14.018 -39.192 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.448 -14.206 -39.966 1.00 0.00 H new ATOM 413 N CYS A 34 -6.867 -6.846 -33.616 1.00 0.00 N ATOM 414 CA CYS A 34 -7.442 -5.692 -32.956 1.00 0.00 C ATOM 415 C CYS A 34 -8.371 -4.978 -33.878 1.00 0.00 C ATOM 416 O CYS A 34 -8.399 -5.256 -35.058 1.00 0.00 O ATOM 417 CB CYS A 34 -6.369 -4.754 -32.459 1.00 0.00 C ATOM 418 SG CYS A 34 -5.861 -5.110 -30.785 1.00 0.00 S ATOM 0 H CYS A 34 -5.926 -6.704 -33.982 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.005 -6.044 -32.092 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.503 -4.818 -33.118 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.736 -3.729 -32.513 1.00 0.00 H new ATOM 423 N GLN A 35 -9.150 -4.074 -33.345 1.00 0.00 N ATOM 424 CA GLN A 35 -10.095 -3.349 -34.156 1.00 0.00 C ATOM 425 C GLN A 35 -9.733 -1.869 -34.190 1.00 0.00 C ATOM 426 O GLN A 35 -10.116 -1.147 -35.102 1.00 0.00 O ATOM 427 CB GLN A 35 -11.524 -3.533 -33.619 1.00 0.00 C ATOM 428 CG GLN A 35 -11.824 -4.929 -33.046 1.00 0.00 C ATOM 429 CD GLN A 35 -11.499 -6.086 -33.995 1.00 0.00 C ATOM 430 OE1 GLN A 35 -11.165 -7.180 -33.552 1.00 0.00 O ATOM 431 NE2 GLN A 35 -11.624 -5.856 -35.289 1.00 0.00 N ATOM 0 H GLN A 35 -9.150 -3.822 -32.357 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.054 -3.746 -35.170 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -11.703 -2.791 -32.841 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.229 -3.327 -34.425 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.256 -5.060 -32.125 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.880 -4.980 -32.779 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -11.904 -4.932 -35.618 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.441 -6.602 -35.960 1.00 0.00 H new ATOM 440 N SER A 36 -8.968 -1.434 -33.198 1.00 0.00 N ATOM 441 CA SER A 36 -8.588 -0.030 -33.091 1.00 0.00 C ATOM 442 C SER A 36 -7.336 0.299 -33.912 1.00 0.00 C ATOM 443 O SER A 36 -7.104 1.454 -34.256 1.00 0.00 O ATOM 444 CB SER A 36 -8.384 0.349 -31.630 1.00 0.00 C ATOM 445 OG SER A 36 -9.567 0.117 -30.879 1.00 0.00 O ATOM 0 H SER A 36 -8.599 -2.030 -32.457 1.00 0.00 H new ATOM 0 HA SER A 36 -9.405 0.561 -33.506 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.562 -0.231 -31.211 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.102 1.399 -31.558 1.00 0.00 H new ATOM 0 HG SER A 36 -9.414 0.365 -29.943 1.00 0.00 H new ATOM 451 N CYS A 37 -6.531 -0.709 -34.208 1.00 0.00 N ATOM 452 CA CYS A 37 -5.331 -0.516 -35.023 1.00 0.00 C ATOM 453 C CYS A 37 -5.271 -1.578 -36.110 1.00 0.00 C ATOM 454 O CYS A 37 -4.205 -1.949 -36.597 1.00 0.00 O ATOM 455 CB CYS A 37 -4.073 -0.555 -34.144 1.00 0.00 C ATOM 456 SG CYS A 37 -3.955 -1.991 -33.050 1.00 0.00 S ATOM 0 H CYS A 37 -6.682 -1.669 -33.899 1.00 0.00 H new ATOM 0 HA CYS A 37 -5.376 0.464 -35.498 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.195 -0.535 -34.790 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.043 0.350 -33.537 1.00 0.00 H new ATOM 461 N LYS A 38 -6.445 -2.036 -36.508 1.00 0.00 N ATOM 462 CA LYS A 38 -6.568 -3.085 -37.503 1.00 0.00 C ATOM 463 C LYS A 38 -6.198 -2.558 -38.891 1.00 0.00 C ATOM 464 O LYS A 38 -5.599 -3.275 -39.704 1.00 0.00 O ATOM 465 CB LYS A 38 -7.998 -3.628 -37.485 1.00 0.00 C ATOM 466 CG LYS A 38 -8.136 -5.072 -37.954 1.00 0.00 C ATOM 467 CD LYS A 38 -8.279 -5.181 -39.445 1.00 0.00 C ATOM 468 CE LYS A 38 -9.595 -4.571 -39.931 1.00 0.00 C ATOM 469 NZ LYS A 38 -9.892 -4.914 -41.350 1.00 0.00 N ATOM 0 H LYS A 38 -7.337 -1.692 -36.152 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.877 -3.894 -37.265 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.389 -3.551 -36.470 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.621 -2.994 -38.116 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.263 -5.640 -37.634 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.004 -5.525 -37.475 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.443 -4.676 -39.929 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.233 -6.229 -39.740 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.410 -4.921 -39.298 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.551 -3.487 -39.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.793 -4.477 -41.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.129 -4.558 -41.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.962 -5.947 -41.450 1.00 0.00 H new ATOM 483 N TYR A 39 -6.546 -1.305 -39.146 1.00 0.00 N ATOM 484 CA TYR A 39 -6.248 -0.660 -40.419 1.00 0.00 C ATOM 485 C TYR A 39 -4.759 -0.327 -40.530 1.00 0.00 C ATOM 486 O TYR A 39 -4.006 -0.489 -39.572 1.00 0.00 O ATOM 487 CB TYR A 39 -7.094 0.615 -40.591 1.00 0.00 C ATOM 488 CG TYR A 39 -7.005 1.588 -39.425 1.00 0.00 C ATOM 489 CD1 TYR A 39 -6.024 2.568 -39.384 1.00 0.00 C ATOM 490 CD2 TYR A 39 -7.910 1.525 -38.372 1.00 0.00 C ATOM 491 CE1 TYR A 39 -5.945 3.457 -38.329 1.00 0.00 C ATOM 492 CE2 TYR A 39 -7.837 2.408 -37.314 1.00 0.00 C ATOM 493 CZ TYR A 39 -6.853 3.371 -37.297 1.00 0.00 C ATOM 494 OH TYR A 39 -6.781 4.255 -36.244 1.00 0.00 O ATOM 0 H TYR A 39 -7.040 -0.709 -38.482 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.502 -1.358 -41.216 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.778 1.126 -41.500 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -8.136 0.329 -40.731 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.309 2.637 -40.191 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -8.684 0.772 -38.382 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.176 4.215 -38.314 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.548 2.344 -36.504 1.00 0.00 H new ATOM 0 HH TYR A 39 -7.495 4.058 -35.602 1.00 0.00 H new ATOM 504 N GLY A 40 -4.344 0.136 -41.699 1.00 0.00 N ATOM 505 CA GLY A 40 -2.951 0.489 -41.893 1.00 0.00 C ATOM 506 C GLY A 40 -2.664 1.893 -41.417 1.00 0.00 C ATOM 507 O GLY A 40 -1.796 2.112 -40.575 1.00 0.00 O ATOM 0 H GLY A 40 -4.942 0.274 -42.514 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.318 -0.216 -41.354 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.696 0.403 -42.949 1.00 0.00 H new ATOM 511 N ALA A 41 -3.412 2.839 -41.952 1.00 0.00 N ATOM 512 CA ALA A 41 -3.283 4.235 -41.583 1.00 0.00 C ATOM 513 C ALA A 41 -4.630 4.917 -41.705 1.00 0.00 C ATOM 514 O ALA A 41 -5.138 5.495 -40.750 1.00 0.00 O ATOM 515 CB ALA A 41 -2.250 4.925 -42.463 1.00 0.00 C ATOM 0 H ALA A 41 -4.128 2.660 -42.656 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.944 4.302 -40.549 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.166 5.972 -42.172 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.284 4.436 -42.341 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.560 4.862 -43.506 1.00 0.00 H new ATOM 521 N GLY A 42 -5.206 4.827 -42.884 1.00 0.00 N ATOM 522 CA GLY A 42 -6.508 5.395 -43.124 1.00 0.00 C ATOM 523 C GLY A 42 -7.172 4.761 -44.322 1.00 0.00 C ATOM 524 O GLY A 42 -7.001 5.221 -45.445 1.00 0.00 O ATOM 0 H GLY A 42 -4.789 4.364 -43.691 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.135 5.257 -42.243 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.414 6.469 -43.284 1.00 0.00 H new ATOM 528 N CYS A 43 -7.907 3.688 -44.092 1.00 0.00 N ATOM 529 CA CYS A 43 -8.586 3.004 -45.172 1.00 0.00 C ATOM 530 C CYS A 43 -10.036 3.494 -45.315 1.00 0.00 C ATOM 531 O CYS A 43 -10.424 4.509 -44.723 1.00 0.00 O ATOM 532 CB CYS A 43 -8.552 1.495 -44.950 1.00 0.00 C ATOM 533 SG CYS A 43 -8.802 0.539 -46.461 1.00 0.00 S ATOM 0 H CYS A 43 -8.047 3.274 -43.170 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.061 3.234 -46.099 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -7.592 1.222 -44.511 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.322 1.225 -44.227 1.00 0.00 H new ATOM 538 N THR A 44 -10.826 2.767 -46.090 1.00 0.00 N ATOM 539 CA THR A 44 -12.203 3.142 -46.364 1.00 0.00 C ATOM 540 C THR A 44 -13.183 2.443 -45.421 1.00 0.00 C ATOM 541 O THR A 44 -12.808 1.536 -44.678 1.00 0.00 O ATOM 542 CB THR A 44 -12.573 2.821 -47.825 1.00 0.00 C ATOM 543 OG1 THR A 44 -12.248 1.455 -48.123 1.00 0.00 O ATOM 544 CG2 THR A 44 -11.827 3.741 -48.776 1.00 0.00 C ATOM 0 H THR A 44 -10.531 1.903 -46.545 1.00 0.00 H new ATOM 0 HA THR A 44 -12.280 4.216 -46.198 1.00 0.00 H new ATOM 0 HB THR A 44 -13.644 2.975 -47.953 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.487 1.257 -49.053 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.100 3.501 -49.804 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.092 4.777 -48.563 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.753 3.607 -48.645 1.00 0.00 H new ATOM 552 N ASP A 45 -14.436 2.871 -45.463 1.00 0.00 N ATOM 553 CA ASP A 45 -15.480 2.310 -44.609 1.00 0.00 C ATOM 554 C ASP A 45 -16.144 1.114 -45.276 1.00 0.00 C ATOM 555 O ASP A 45 -16.545 0.161 -44.605 1.00 0.00 O ATOM 556 CB ASP A 45 -16.532 3.368 -44.292 1.00 0.00 C ATOM 557 CG ASP A 45 -17.555 2.883 -43.289 1.00 0.00 C ATOM 558 OD1 ASP A 45 -18.629 2.412 -43.710 1.00 0.00 O ATOM 559 OD2 ASP A 45 -17.287 2.966 -42.069 1.00 0.00 O ATOM 0 H ASP A 45 -14.759 3.612 -46.085 1.00 0.00 H new ATOM 0 HA ASP A 45 -15.012 1.978 -43.682 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -16.041 4.260 -43.903 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -17.039 3.659 -45.212 1.00 0.00 H new ATOM 564 N VAL A 46 -16.249 1.167 -46.605 1.00 0.00 N ATOM 565 CA VAL A 46 -16.859 0.081 -47.392 1.00 0.00 C ATOM 566 C VAL A 46 -16.079 -1.210 -47.204 1.00 0.00 C ATOM 567 O VAL A 46 -16.631 -2.312 -47.256 1.00 0.00 O ATOM 568 CB VAL A 46 -16.903 0.439 -48.902 1.00 0.00 C ATOM 569 CG1 VAL A 46 -17.586 -0.656 -49.706 1.00 0.00 C ATOM 570 CG2 VAL A 46 -17.608 1.768 -49.103 1.00 0.00 C ATOM 0 H VAL A 46 -15.919 1.952 -47.166 1.00 0.00 H new ATOM 0 HA VAL A 46 -17.880 -0.053 -47.034 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.878 0.526 -49.263 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -17.602 -0.378 -50.760 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.038 -1.591 -49.586 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.608 -0.786 -49.349 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -17.633 2.009 -50.166 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -18.627 1.701 -48.722 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -17.071 2.550 -48.566 1.00 0.00 H new ATOM 580 N CYS A 47 -14.808 -1.060 -46.965 1.00 0.00 N ATOM 581 CA CYS A 47 -13.929 -2.178 -46.759 1.00 0.00 C ATOM 582 C CYS A 47 -14.102 -2.762 -45.346 1.00 0.00 C ATOM 583 O CYS A 47 -13.713 -3.891 -45.068 1.00 0.00 O ATOM 584 CB CYS A 47 -12.501 -1.721 -46.974 1.00 0.00 C ATOM 585 SG CYS A 47 -11.289 -3.000 -46.743 1.00 0.00 S ATOM 0 H CYS A 47 -14.348 -0.152 -46.907 1.00 0.00 H new ATOM 0 HA CYS A 47 -14.175 -2.966 -47.471 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -12.406 -1.323 -47.984 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -12.285 -0.902 -46.288 1.00 0.00 H new ATOM 590 N LYS A 48 -14.715 -1.994 -44.463 1.00 0.00 N ATOM 591 CA LYS A 48 -14.908 -2.427 -43.086 1.00 0.00 C ATOM 592 C LYS A 48 -16.249 -3.121 -42.915 1.00 0.00 C ATOM 593 O LYS A 48 -16.664 -3.431 -41.801 1.00 0.00 O ATOM 594 CB LYS A 48 -14.796 -1.238 -42.147 1.00 0.00 C ATOM 595 CG LYS A 48 -13.465 -0.533 -42.253 1.00 0.00 C ATOM 596 CD LYS A 48 -13.407 0.693 -41.372 1.00 0.00 C ATOM 597 CE LYS A 48 -12.023 1.319 -41.397 1.00 0.00 C ATOM 598 NZ LYS A 48 -11.945 2.526 -40.543 1.00 0.00 N ATOM 0 H LYS A 48 -15.088 -1.068 -44.672 1.00 0.00 H new ATOM 0 HA LYS A 48 -14.128 -3.146 -42.838 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.595 -0.530 -42.367 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.943 -1.576 -41.121 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.667 -1.220 -41.973 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.288 -0.245 -43.289 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.145 1.421 -41.708 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.669 0.422 -40.349 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.288 0.588 -41.060 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.763 1.583 -42.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.984 2.922 -40.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.628 3.234 -40.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.168 2.271 -39.560 1.00 0.00 H new ATOM 612 N GLN A 49 -16.919 -3.353 -44.025 1.00 0.00 N ATOM 613 CA GLN A 49 -18.203 -4.039 -44.021 1.00 0.00 C ATOM 614 C GLN A 49 -18.029 -5.515 -43.674 1.00 0.00 C ATOM 615 O GLN A 49 -16.931 -6.063 -43.762 1.00 0.00 O ATOM 616 CB GLN A 49 -18.879 -3.927 -45.385 1.00 0.00 C ATOM 617 CG GLN A 49 -19.324 -2.532 -45.764 1.00 0.00 C ATOM 618 CD GLN A 49 -20.023 -2.504 -47.116 1.00 0.00 C ATOM 619 OE1 GLN A 49 -20.016 -1.355 -47.758 1.00 0.00 O flip ATOM 620 NE2 GLN A 49 -20.606 -3.497 -47.551 1.00 0.00 N flip ATOM 0 H GLN A 49 -16.595 -3.075 -44.951 1.00 0.00 H new ATOM 0 HA GLN A 49 -18.828 -3.562 -43.266 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -18.190 -4.292 -46.147 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -19.747 -4.586 -45.399 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.998 -2.146 -44.999 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.459 -1.870 -45.789 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -20.589 -4.370 -47.024 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -21.106 -3.447 -48.438 1.00 0.00 H new ATOM 629 N THR A 50 -19.112 -6.148 -43.277 1.00 0.00 N ATOM 630 CA THR A 50 -19.107 -7.565 -42.971 1.00 0.00 C ATOM 631 C THR A 50 -20.452 -8.185 -43.371 1.00 0.00 C ATOM 632 O THR A 50 -21.454 -8.015 -42.670 1.00 0.00 O ATOM 633 CB THR A 50 -18.844 -7.816 -41.473 1.00 0.00 C ATOM 634 OG1 THR A 50 -17.638 -7.142 -41.077 1.00 0.00 O ATOM 635 CG2 THR A 50 -18.703 -9.308 -41.199 1.00 0.00 C ATOM 0 H THR A 50 -20.019 -5.698 -43.157 1.00 0.00 H new ATOM 0 HA THR A 50 -18.301 -8.031 -43.539 1.00 0.00 H new ATOM 0 HB THR A 50 -19.688 -7.431 -40.901 1.00 0.00 H new ATOM 0 HG1 THR A 50 -17.472 -7.301 -40.124 1.00 0.00 H new ATOM 0 HG21 THR A 50 -18.518 -9.467 -40.137 1.00 0.00 H new ATOM 0 HG22 THR A 50 -19.621 -9.819 -41.488 1.00 0.00 H new ATOM 0 HG23 THR A 50 -17.869 -9.707 -41.776 1.00 0.00 H new ATOM 643 N PRO A 51 -20.511 -8.904 -44.517 1.00 0.00 N ATOM 644 CA PRO A 51 -19.352 -9.155 -45.391 1.00 0.00 C ATOM 645 C PRO A 51 -18.853 -7.885 -46.057 1.00 0.00 C ATOM 646 O PRO A 51 -19.584 -6.893 -46.155 1.00 0.00 O ATOM 647 CB PRO A 51 -19.900 -10.127 -46.438 1.00 0.00 C ATOM 648 CG PRO A 51 -21.359 -9.860 -46.462 1.00 0.00 C ATOM 649 CD PRO A 51 -21.731 -9.505 -45.052 1.00 0.00 C ATOM 0 HA PRO A 51 -18.498 -9.544 -44.837 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -19.448 -9.955 -47.415 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -19.690 -11.162 -46.168 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -21.597 -9.046 -47.146 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -21.911 -10.735 -46.804 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -22.568 -8.808 -45.021 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -22.028 -10.385 -44.482 1.00 0.00 H new ATOM 657 N CYS A 52 -17.624 -7.925 -46.517 1.00 0.00 N ATOM 658 CA CYS A 52 -16.973 -6.765 -47.090 1.00 0.00 C ATOM 659 C CYS A 52 -17.712 -6.259 -48.328 1.00 0.00 C ATOM 660 O CYS A 52 -18.311 -7.039 -49.071 1.00 0.00 O ATOM 661 CB CYS A 52 -15.542 -7.101 -47.432 1.00 0.00 C ATOM 662 SG CYS A 52 -14.504 -5.665 -47.647 1.00 0.00 S ATOM 0 H CYS A 52 -17.044 -8.764 -46.505 1.00 0.00 H new ATOM 0 HA CYS A 52 -16.990 -5.965 -46.349 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -15.125 -7.725 -46.642 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -15.525 -7.692 -48.348 1.00 0.00 H new ATOM 667 N GLY A 53 -17.651 -4.952 -48.555 1.00 0.00 N ATOM 668 CA GLY A 53 -18.380 -4.365 -49.655 1.00 0.00 C ATOM 669 C GLY A 53 -17.534 -4.094 -50.877 1.00 0.00 C ATOM 670 O GLY A 53 -18.072 -3.810 -51.948 1.00 0.00 O ATOM 0 H GLY A 53 -17.110 -4.292 -47.996 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -19.198 -5.030 -49.932 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -18.829 -3.429 -49.322 1.00 0.00 H new ATOM 674 N CYS A 54 -16.213 -4.193 -50.743 1.00 0.00 N ATOM 675 CA CYS A 54 -15.313 -3.941 -51.874 1.00 0.00 C ATOM 676 C CYS A 54 -15.583 -4.885 -53.042 1.00 0.00 C ATOM 677 O CYS A 54 -15.253 -4.581 -54.183 1.00 0.00 O ATOM 678 CB CYS A 54 -13.857 -4.054 -51.457 1.00 0.00 C ATOM 679 SG CYS A 54 -13.201 -2.578 -50.680 1.00 0.00 S ATOM 0 H CYS A 54 -15.743 -4.443 -49.873 1.00 0.00 H new ATOM 0 HA CYS A 54 -15.511 -2.921 -52.204 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -13.752 -4.892 -50.768 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -13.256 -4.287 -52.336 1.00 0.00 H new ATOM 684 N ALA A 55 -16.187 -6.023 -52.756 1.00 0.00 N ATOM 685 CA ALA A 55 -16.496 -6.989 -53.792 1.00 0.00 C ATOM 686 C ALA A 55 -17.738 -6.572 -54.575 1.00 0.00 C ATOM 687 O ALA A 55 -17.983 -7.066 -55.669 1.00 0.00 O ATOM 688 CB ALA A 55 -16.684 -8.371 -53.187 1.00 0.00 C ATOM 0 H ALA A 55 -16.473 -6.300 -51.817 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.657 -7.024 -54.487 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.915 -9.086 -53.977 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -15.768 -8.674 -52.681 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -17.504 -8.345 -52.469 1.00 0.00 H new ATOM 694 N THR A 56 -18.508 -5.654 -54.012 1.00 0.00 N ATOM 695 CA THR A 56 -19.735 -5.193 -54.638 1.00 0.00 C ATOM 696 C THR A 56 -19.550 -3.817 -55.295 1.00 0.00 C ATOM 697 O THR A 56 -19.957 -3.603 -56.441 1.00 0.00 O ATOM 698 CB THR A 56 -20.874 -5.113 -53.601 1.00 0.00 C ATOM 699 OG1 THR A 56 -20.979 -6.368 -52.911 1.00 0.00 O ATOM 700 CG2 THR A 56 -22.202 -4.798 -54.276 1.00 0.00 C ATOM 0 H THR A 56 -18.302 -5.212 -53.116 1.00 0.00 H new ATOM 0 HA THR A 56 -19.995 -5.915 -55.412 1.00 0.00 H new ATOM 0 HB THR A 56 -20.644 -4.314 -52.896 1.00 0.00 H new ATOM 0 HG1 THR A 56 -21.701 -6.319 -52.250 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.989 -4.747 -53.524 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.130 -3.840 -54.792 1.00 0.00 H new ATOM 0 HG23 THR A 56 -22.439 -5.581 -54.996 1.00 0.00 H new ATOM 708 N SER A 57 -18.938 -2.896 -54.574 1.00 0.00 N ATOM 709 CA SER A 57 -18.737 -1.549 -55.083 1.00 0.00 C ATOM 710 C SER A 57 -17.413 -1.425 -55.828 1.00 0.00 C ATOM 711 O SER A 57 -17.325 -0.755 -56.860 1.00 0.00 O ATOM 712 CB SER A 57 -18.793 -0.553 -53.930 1.00 0.00 C ATOM 713 OG SER A 57 -17.963 -0.980 -52.865 1.00 0.00 O ATOM 0 H SER A 57 -18.571 -3.054 -53.635 1.00 0.00 H new ATOM 0 HA SER A 57 -19.534 -1.328 -55.793 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.474 0.430 -54.275 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.820 -0.450 -53.580 1.00 0.00 H new ATOM 0 HG SER A 57 -17.113 -0.492 -52.897 1.00 0.00 H new ATOM 719 N GLY A 58 -16.399 -2.079 -55.314 1.00 0.00 N ATOM 720 CA GLY A 58 -15.088 -1.994 -55.904 1.00 0.00 C ATOM 721 C GLY A 58 -14.062 -1.602 -54.874 1.00 0.00 C ATOM 722 O GLY A 58 -14.411 -1.038 -53.836 1.00 0.00 O ATOM 0 H GLY A 58 -16.458 -2.675 -54.489 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.819 -2.954 -56.344 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.095 -1.264 -56.713 1.00 0.00 H new ATOM 726 N CYS A 59 -12.811 -1.899 -55.144 1.00 0.00 N ATOM 727 CA CYS A 59 -11.745 -1.590 -54.213 1.00 0.00 C ATOM 728 C CYS A 59 -11.394 -0.129 -54.205 1.00 0.00 C ATOM 729 O CYS A 59 -11.406 0.541 -55.242 1.00 0.00 O ATOM 730 CB CYS A 59 -10.502 -2.395 -54.518 1.00 0.00 C ATOM 731 SG CYS A 59 -10.469 -3.997 -53.733 1.00 0.00 S ATOM 0 H CYS A 59 -12.504 -2.356 -56.003 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.121 -1.857 -53.225 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.423 -2.528 -55.597 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.627 -1.828 -54.201 1.00 0.00 H new ATOM 736 N ASN A 60 -11.071 0.356 -53.033 1.00 0.00 N ATOM 737 CA ASN A 60 -10.642 1.717 -52.859 1.00 0.00 C ATOM 738 C ASN A 60 -9.567 1.764 -51.775 1.00 0.00 C ATOM 739 O ASN A 60 -9.303 2.803 -51.174 1.00 0.00 O ATOM 740 CB ASN A 60 -11.838 2.610 -52.495 1.00 0.00 C ATOM 741 CG ASN A 60 -11.524 4.085 -52.642 1.00 0.00 C ATOM 742 OD1 ASN A 60 -10.668 4.468 -53.440 1.00 0.00 O ATOM 743 ND2 ASN A 60 -12.221 4.924 -51.897 1.00 0.00 N ATOM 0 H ASN A 60 -11.099 -0.186 -52.170 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.221 2.095 -53.791 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.685 2.356 -53.133 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.141 2.406 -51.468 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.058 5.928 -51.972 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -12.922 4.568 -51.247 1.00 0.00 H new ATOM 750 N CYS A 61 -8.940 0.613 -51.549 1.00 0.00 N ATOM 751 CA CYS A 61 -7.902 0.473 -50.539 1.00 0.00 C ATOM 752 C CYS A 61 -6.575 0.027 -51.180 1.00 0.00 C ATOM 753 O CYS A 61 -6.273 0.395 -52.323 1.00 0.00 O ATOM 754 CB CYS A 61 -8.358 -0.527 -49.470 1.00 0.00 C ATOM 755 SG CYS A 61 -8.760 -2.183 -50.088 1.00 0.00 S ATOM 0 H CYS A 61 -9.139 -0.246 -52.061 1.00 0.00 H new ATOM 0 HA CYS A 61 -7.732 1.440 -50.066 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.572 -0.617 -48.720 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.235 -0.121 -48.966 1.00 0.00 H new ATOM 760 N THR A 62 -5.788 -0.749 -50.450 1.00 0.00 N ATOM 761 CA THR A 62 -4.507 -1.223 -50.930 1.00 0.00 C ATOM 762 C THR A 62 -4.553 -2.734 -51.178 1.00 0.00 C ATOM 763 O THR A 62 -5.475 -3.412 -50.725 1.00 0.00 O ATOM 764 CB THR A 62 -3.402 -0.909 -49.899 1.00 0.00 C ATOM 765 OG1 THR A 62 -3.857 -1.274 -48.587 1.00 0.00 O ATOM 766 CG2 THR A 62 -3.045 0.571 -49.918 1.00 0.00 C ATOM 0 H THR A 62 -6.023 -1.065 -49.509 1.00 0.00 H new ATOM 0 HA THR A 62 -4.284 -0.713 -51.867 1.00 0.00 H new ATOM 0 HB THR A 62 -2.512 -1.482 -50.159 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.156 -1.077 -47.931 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.264 0.766 -49.183 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.686 0.846 -50.910 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.928 1.162 -49.675 1.00 0.00 H new ATOM 774 N ASP A 63 -3.573 -3.253 -51.912 1.00 0.00 N ATOM 775 CA ASP A 63 -3.494 -4.696 -52.150 1.00 0.00 C ATOM 776 C ASP A 63 -2.973 -5.372 -50.906 1.00 0.00 C ATOM 777 O ASP A 63 -3.384 -6.476 -50.560 1.00 0.00 O ATOM 778 CB ASP A 63 -2.571 -5.025 -53.326 1.00 0.00 C ATOM 779 CG ASP A 63 -3.037 -4.432 -54.636 1.00 0.00 C ATOM 780 OD1 ASP A 63 -3.853 -5.076 -55.331 1.00 0.00 O ATOM 781 OD2 ASP A 63 -2.580 -3.319 -54.985 1.00 0.00 O ATOM 0 H ASP A 63 -2.830 -2.707 -52.348 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.493 -5.056 -52.395 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.568 -4.659 -53.106 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.499 -6.108 -53.430 1.00 0.00 H new ATOM 786 N ASP A 64 -2.060 -4.688 -50.234 1.00 0.00 N ATOM 787 CA ASP A 64 -1.481 -5.167 -48.982 1.00 0.00 C ATOM 788 C ASP A 64 -2.412 -4.883 -47.819 1.00 0.00 C ATOM 789 O ASP A 64 -1.968 -4.588 -46.723 1.00 0.00 O ATOM 790 CB ASP A 64 -0.143 -4.484 -48.721 1.00 0.00 C ATOM 791 CG ASP A 64 0.771 -5.305 -47.830 1.00 0.00 C ATOM 792 OD1 ASP A 64 1.031 -6.482 -48.166 1.00 0.00 O ATOM 793 OD2 ASP A 64 1.281 -4.763 -46.832 1.00 0.00 O ATOM 0 H ASP A 64 -1.697 -3.785 -50.539 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.333 -6.243 -49.072 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.356 -4.297 -49.672 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.320 -3.514 -48.257 1.00 0.00 H new ATOM 798 N CYS A 65 -3.692 -4.933 -48.066 1.00 0.00 N ATOM 799 CA CYS A 65 -4.642 -4.760 -47.015 1.00 0.00 C ATOM 800 C CYS A 65 -4.903 -6.109 -46.385 1.00 0.00 C ATOM 801 O CYS A 65 -5.002 -7.111 -47.093 1.00 0.00 O ATOM 802 CB CYS A 65 -5.940 -4.165 -47.549 1.00 0.00 C ATOM 803 SG CYS A 65 -7.060 -3.583 -46.262 1.00 0.00 S ATOM 0 H CYS A 65 -4.096 -5.093 -48.989 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.244 -4.069 -46.272 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.701 -3.334 -48.212 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.452 -4.916 -48.150 1.00 0.00 H new ATOM 808 N LYS A 66 -5.027 -6.135 -45.065 1.00 0.00 N ATOM 809 CA LYS A 66 -5.240 -7.384 -44.312 1.00 0.00 C ATOM 810 C LYS A 66 -6.654 -7.918 -44.525 1.00 0.00 C ATOM 811 O LYS A 66 -7.228 -8.560 -43.643 1.00 0.00 O ATOM 812 CB LYS A 66 -5.030 -7.130 -42.823 1.00 0.00 C ATOM 813 CG LYS A 66 -3.767 -6.368 -42.500 1.00 0.00 C ATOM 814 CD LYS A 66 -3.693 -6.041 -41.031 1.00 0.00 C ATOM 815 CE LYS A 66 -2.658 -4.962 -40.752 1.00 0.00 C ATOM 816 NZ LYS A 66 -2.678 -4.528 -39.328 1.00 0.00 N ATOM 0 H LYS A 66 -4.984 -5.301 -44.480 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.524 -8.122 -44.674 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.885 -6.576 -42.436 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.008 -8.087 -42.302 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.898 -6.959 -42.789 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -3.734 -5.448 -43.083 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.670 -5.708 -40.681 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.443 -6.941 -40.469 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.666 -5.337 -41.003 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.847 -4.103 -41.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.812 -3.992 -39.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.508 -3.924 -39.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.728 -5.364 -38.711 1.00 0.00 H new ATOM 830 N CYS A 67 -7.201 -7.672 -45.683 1.00 0.00 N ATOM 831 CA CYS A 67 -8.529 -8.079 -45.969 1.00 0.00 C ATOM 832 C CYS A 67 -8.553 -9.030 -47.150 1.00 0.00 C ATOM 833 O CYS A 67 -8.527 -8.612 -48.311 1.00 0.00 O ATOM 834 CB CYS A 67 -9.410 -6.868 -46.226 1.00 0.00 C ATOM 835 SG CYS A 67 -11.076 -7.046 -45.576 1.00 0.00 S ATOM 0 H CYS A 67 -6.732 -7.185 -46.446 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.925 -8.609 -45.103 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.946 -5.989 -45.779 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.464 -6.689 -47.300 1.00 0.00 H new ATOM 840 N GLN A 68 -8.597 -10.317 -46.848 1.00 0.00 N ATOM 841 CA GLN A 68 -8.637 -11.351 -47.876 1.00 0.00 C ATOM 842 C GLN A 68 -10.013 -11.394 -48.529 1.00 0.00 C ATOM 843 O GLN A 68 -10.254 -12.155 -49.467 1.00 0.00 O ATOM 844 CB GLN A 68 -8.283 -12.713 -47.266 1.00 0.00 C ATOM 845 CG GLN A 68 -6.909 -12.738 -46.610 1.00 0.00 C ATOM 846 CD GLN A 68 -5.799 -12.401 -47.583 1.00 0.00 C ATOM 847 OE1 GLN A 68 -5.876 -12.717 -48.771 1.00 0.00 O ATOM 848 NE2 GLN A 68 -4.769 -11.735 -47.094 1.00 0.00 N ATOM 0 H GLN A 68 -8.606 -10.675 -45.893 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.901 -11.114 -48.645 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -9.037 -12.979 -46.525 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.320 -13.474 -48.046 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.891 -12.028 -45.783 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.730 -13.726 -46.186 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.743 -11.492 -46.104 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.000 -11.464 -47.707 1.00 0.00 H new ATOM 857 N SER A 69 -10.904 -10.562 -48.023 1.00 0.00 N ATOM 858 CA SER A 69 -12.248 -10.456 -48.528 1.00 0.00 C ATOM 859 C SER A 69 -12.247 -9.838 -49.927 1.00 0.00 C ATOM 860 O SER A 69 -13.072 -10.188 -50.771 1.00 0.00 O ATOM 861 CB SER A 69 -13.065 -9.585 -47.581 1.00 0.00 C ATOM 862 OG SER A 69 -12.692 -9.823 -46.230 1.00 0.00 O ATOM 0 H SER A 69 -10.707 -9.937 -47.242 1.00 0.00 H new ATOM 0 HA SER A 69 -12.687 -11.451 -48.591 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.914 -8.533 -47.825 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.127 -9.794 -47.712 1.00 0.00 H new ATOM 0 HG SER A 69 -12.186 -9.056 -45.890 1.00 0.00 H new ATOM 868 N CYS A 70 -11.313 -8.924 -50.166 1.00 0.00 N ATOM 869 CA CYS A 70 -11.232 -8.241 -51.444 1.00 0.00 C ATOM 870 C CYS A 70 -9.851 -8.374 -52.093 1.00 0.00 C ATOM 871 O CYS A 70 -9.741 -8.391 -53.322 1.00 0.00 O ATOM 872 CB CYS A 70 -11.605 -6.778 -51.272 1.00 0.00 C ATOM 873 SG CYS A 70 -10.836 -5.998 -49.842 1.00 0.00 S ATOM 0 H CYS A 70 -10.604 -8.642 -49.490 1.00 0.00 H new ATOM 0 HA CYS A 70 -11.942 -8.720 -52.118 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -11.319 -6.231 -52.171 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -12.688 -6.697 -51.180 1.00 0.00 H new ATOM 878 N SER A 71 -8.796 -8.464 -51.282 1.00 0.00 N ATOM 879 CA SER A 71 -7.451 -8.613 -51.824 1.00 0.00 C ATOM 880 C SER A 71 -7.301 -9.975 -52.507 1.00 0.00 C ATOM 881 O SER A 71 -8.052 -10.918 -52.218 1.00 0.00 O ATOM 882 CB SER A 71 -6.384 -8.426 -50.731 1.00 0.00 C ATOM 883 OG SER A 71 -5.071 -8.470 -51.276 1.00 0.00 O ATOM 0 H SER A 71 -8.847 -8.437 -50.264 1.00 0.00 H new ATOM 0 HA SER A 71 -7.297 -7.833 -52.569 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.539 -7.471 -50.228 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.493 -9.205 -49.977 1.00 0.00 H new ATOM 0 HG SER A 71 -4.576 -7.670 -51.002 1.00 0.00 H new ATOM 889 N THR A 72 -6.343 -10.065 -53.405 1.00 0.00 N ATOM 890 CA THR A 72 -6.107 -11.270 -54.178 1.00 0.00 C ATOM 891 C THR A 72 -5.676 -12.442 -53.289 1.00 0.00 C ATOM 892 O THR A 72 -4.875 -12.280 -52.355 1.00 0.00 O ATOM 893 CB THR A 72 -5.053 -11.020 -55.284 1.00 0.00 C ATOM 894 OG1 THR A 72 -4.747 -12.234 -55.983 1.00 0.00 O ATOM 895 CG2 THR A 72 -3.781 -10.425 -54.699 1.00 0.00 C ATOM 0 H THR A 72 -5.702 -9.302 -53.622 1.00 0.00 H new ATOM 0 HA THR A 72 -7.052 -11.539 -54.649 1.00 0.00 H new ATOM 0 HB THR A 72 -5.479 -10.307 -55.990 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.080 -12.052 -56.678 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.057 -10.259 -55.496 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.012 -9.476 -54.215 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.361 -11.113 -53.965 1.00 0.00 H new ATOM 903 N ALA A 73 -6.212 -13.613 -53.589 1.00 0.00 N ATOM 904 CA ALA A 73 -5.919 -14.813 -52.828 1.00 0.00 C ATOM 905 C ALA A 73 -4.587 -15.407 -53.238 1.00 0.00 C ATOM 906 O ALA A 73 -4.016 -15.034 -54.264 1.00 0.00 O ATOM 907 CB ALA A 73 -7.030 -15.842 -53.000 1.00 0.00 C ATOM 0 H ALA A 73 -6.860 -13.757 -54.364 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.859 -14.535 -51.776 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.792 -16.735 -52.422 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.972 -15.422 -52.648 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.122 -16.106 -54.054 1.00 0.00 H new ATOM 913 N CYS A 74 -4.092 -16.319 -52.431 1.00 0.00 N ATOM 914 CA CYS A 74 -2.831 -16.976 -52.689 1.00 0.00 C ATOM 915 C CYS A 74 -2.931 -17.872 -53.911 1.00 0.00 C ATOM 916 O CYS A 74 -3.949 -18.542 -54.123 1.00 0.00 O ATOM 917 CB CYS A 74 -2.433 -17.783 -51.477 1.00 0.00 C ATOM 918 SG CYS A 74 -0.681 -17.830 -51.180 1.00 0.00 S ATOM 0 H CYS A 74 -4.554 -16.626 -51.575 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.071 -16.221 -52.888 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.929 -17.369 -50.599 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.798 -18.803 -51.597 1.00 0.00 H new ATOM 923 N LYS A 75 -1.882 -17.881 -54.718 1.00 0.00 N ATOM 924 CA LYS A 75 -1.873 -18.673 -55.934 1.00 0.00 C ATOM 925 C LYS A 75 -1.065 -19.950 -55.751 1.00 0.00 C ATOM 926 O LYS A 75 -0.889 -20.727 -56.695 1.00 0.00 O ATOM 927 CB LYS A 75 -1.329 -17.859 -57.111 1.00 0.00 C ATOM 928 CG LYS A 75 -2.060 -16.542 -57.352 1.00 0.00 C ATOM 929 CD LYS A 75 -3.558 -16.755 -57.496 1.00 0.00 C ATOM 930 CE LYS A 75 -4.277 -15.466 -57.845 1.00 0.00 C ATOM 931 NZ LYS A 75 -3.887 -14.960 -59.183 1.00 0.00 N ATOM 0 H LYS A 75 -1.028 -17.349 -54.552 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.903 -18.952 -56.156 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.274 -17.649 -56.936 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.388 -18.465 -58.015 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.866 -15.860 -56.524 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.671 -16.068 -58.253 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.747 -17.498 -58.271 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.960 -17.155 -56.565 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.354 -15.633 -57.820 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.054 -14.710 -57.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.568 -14.238 -59.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.937 -14.541 -59.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.883 -15.746 -59.864 1.00 0.00 H new ATOM 945 N CYS A 76 -0.569 -20.165 -54.544 1.00 0.00 N ATOM 946 CA CYS A 76 0.161 -21.373 -54.239 1.00 0.00 C ATOM 947 C CYS A 76 -0.833 -22.483 -53.910 1.00 0.00 C ATOM 948 O CYS A 76 -2.006 -22.208 -53.641 1.00 0.00 O ATOM 949 CB CYS A 76 1.107 -21.142 -53.065 1.00 0.00 C ATOM 950 SG CYS A 76 2.349 -19.867 -53.382 1.00 0.00 S ATOM 0 H CYS A 76 -0.661 -19.516 -53.763 1.00 0.00 H new ATOM 0 HA CYS A 76 0.760 -21.664 -55.102 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.524 -20.860 -52.188 1.00 0.00 H new ATOM 0 HB3 CYS A 76 1.611 -22.078 -52.825 1.00 0.00 H new ATOM 955 N ALA A 77 -0.382 -23.717 -53.920 1.00 0.00 N ATOM 956 CA ALA A 77 -1.272 -24.838 -53.670 1.00 0.00 C ATOM 957 C ALA A 77 -0.659 -25.827 -52.704 1.00 0.00 C ATOM 958 O ALA A 77 0.531 -25.742 -52.387 1.00 0.00 O ATOM 959 CB ALA A 77 -1.604 -25.532 -54.971 1.00 0.00 C ATOM 0 H ALA A 77 0.589 -23.973 -54.097 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.184 -24.447 -53.220 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.272 -26.371 -54.776 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.093 -24.828 -55.644 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.687 -25.898 -55.433 1.00 0.00 H new ATOM 965 N ALA A 78 -1.472 -26.771 -52.243 1.00 0.00 N ATOM 966 CA ALA A 78 -1.013 -27.810 -51.338 1.00 0.00 C ATOM 967 C ALA A 78 -0.015 -28.714 -52.039 1.00 0.00 C ATOM 968 O ALA A 78 -0.393 -29.632 -52.771 1.00 0.00 O ATOM 969 CB ALA A 78 -2.190 -28.617 -50.815 1.00 0.00 C ATOM 0 H ALA A 78 -2.461 -26.835 -52.486 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.517 -27.339 -50.489 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.828 -29.391 -50.138 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.874 -27.958 -50.280 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.713 -29.081 -51.651 1.00 0.00 H new ATOM 975 N GLY A 79 1.254 -28.421 -51.849 1.00 0.00 N ATOM 976 CA GLY A 79 2.295 -29.195 -52.473 1.00 0.00 C ATOM 977 C GLY A 79 3.011 -28.409 -53.546 1.00 0.00 C ATOM 978 O GLY A 79 3.884 -28.933 -54.233 1.00 0.00 O ATOM 0 H GLY A 79 1.585 -27.652 -51.267 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.012 -29.516 -51.717 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.866 -30.097 -52.908 1.00 0.00 H new ATOM 982 N SER A 80 2.638 -27.152 -53.701 1.00 0.00 N ATOM 983 CA SER A 80 3.261 -26.292 -54.687 1.00 0.00 C ATOM 984 C SER A 80 3.348 -24.854 -54.173 1.00 0.00 C ATOM 985 O SER A 80 2.397 -24.079 -54.290 1.00 0.00 O ATOM 986 CB SER A 80 2.494 -26.347 -56.013 1.00 0.00 C ATOM 987 OG SER A 80 2.412 -27.683 -56.498 1.00 0.00 O ATOM 0 H SER A 80 1.903 -26.704 -53.154 1.00 0.00 H new ATOM 0 HA SER A 80 4.275 -26.653 -54.863 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.491 -25.944 -55.874 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.991 -25.718 -56.751 1.00 0.00 H new ATOM 0 HG SER A 80 1.917 -27.694 -57.344 1.00 0.00 H new ATOM 993 N CYS A 81 4.478 -24.523 -53.581 1.00 0.00 N ATOM 994 CA CYS A 81 4.716 -23.192 -53.053 1.00 0.00 C ATOM 995 C CYS A 81 5.849 -22.552 -53.860 1.00 0.00 C ATOM 996 O CYS A 81 7.029 -22.816 -53.609 1.00 0.00 O ATOM 997 CB CYS A 81 5.084 -23.293 -51.564 1.00 0.00 C ATOM 998 SG CYS A 81 4.868 -21.773 -50.617 1.00 0.00 S ATOM 0 H CYS A 81 5.258 -25.168 -53.452 1.00 0.00 H new ATOM 0 HA CYS A 81 3.823 -22.573 -53.138 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.478 -24.076 -51.108 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.124 -23.608 -51.483 1.00 0.00 H new ATOM 1003 N LYS A 82 5.487 -21.723 -54.840 1.00 0.00 N ATOM 1004 CA LYS A 82 6.474 -21.187 -55.781 1.00 0.00 C ATOM 1005 C LYS A 82 7.307 -20.038 -55.224 1.00 0.00 C ATOM 1006 O LYS A 82 8.488 -19.927 -55.539 1.00 0.00 O ATOM 1007 CB LYS A 82 5.832 -20.795 -57.122 1.00 0.00 C ATOM 1008 CG LYS A 82 4.785 -19.697 -57.034 1.00 0.00 C ATOM 1009 CD LYS A 82 3.401 -20.224 -57.340 1.00 0.00 C ATOM 1010 CE LYS A 82 3.279 -20.734 -58.762 1.00 0.00 C ATOM 1011 NZ LYS A 82 1.908 -21.218 -59.065 1.00 0.00 N ATOM 0 H LYS A 82 4.530 -21.410 -55.003 1.00 0.00 H new ATOM 0 HA LYS A 82 7.170 -22.008 -55.954 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.619 -20.473 -57.804 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.372 -21.681 -57.561 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.797 -19.261 -56.035 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.034 -18.899 -57.733 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.160 -21.029 -56.646 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.669 -19.433 -57.177 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.544 -19.937 -59.457 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.992 -21.543 -58.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.869 -21.558 -60.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.664 -21.996 -58.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.230 -20.440 -58.941 1.00 0.00 H new ATOM 1025 N CYS A 83 6.714 -19.196 -54.400 1.00 0.00 N ATOM 1026 CA CYS A 83 7.443 -18.056 -53.861 1.00 0.00 C ATOM 1027 C CYS A 83 8.466 -18.517 -52.824 1.00 0.00 C ATOM 1028 O CYS A 83 9.552 -17.947 -52.709 1.00 0.00 O ATOM 1029 CB CYS A 83 6.481 -17.062 -53.239 1.00 0.00 C ATOM 1030 SG CYS A 83 5.660 -17.694 -51.780 1.00 0.00 S ATOM 0 H CYS A 83 5.745 -19.274 -54.091 1.00 0.00 H new ATOM 0 HA CYS A 83 7.973 -17.568 -54.679 1.00 0.00 H new ATOM 0 HB2 CYS A 83 7.025 -16.154 -52.977 1.00 0.00 H new ATOM 0 HB3 CYS A 83 5.730 -16.782 -53.978 1.00 0.00 H new ATOM 1035 N GLY A 84 8.109 -19.551 -52.073 1.00 0.00 N ATOM 1036 CA GLY A 84 9.008 -20.090 -51.079 1.00 0.00 C ATOM 1037 C GLY A 84 8.802 -19.507 -49.691 1.00 0.00 C ATOM 1038 O GLY A 84 9.665 -19.648 -48.826 1.00 0.00 O ATOM 0 H GLY A 84 7.208 -20.026 -52.137 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.878 -21.171 -51.032 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.035 -19.905 -51.392 1.00 0.00 H new ATOM 1042 N LYS A 85 7.661 -18.861 -49.462 1.00 0.00 N ATOM 1043 CA LYS A 85 7.382 -18.282 -48.148 1.00 0.00 C ATOM 1044 C LYS A 85 6.934 -19.364 -47.177 1.00 0.00 C ATOM 1045 O LYS A 85 7.269 -19.325 -45.991 1.00 0.00 O ATOM 1046 CB LYS A 85 6.336 -17.164 -48.234 1.00 0.00 C ATOM 1047 CG LYS A 85 6.803 -15.923 -48.994 1.00 0.00 C ATOM 1048 CD LYS A 85 7.955 -15.202 -48.284 1.00 0.00 C ATOM 1049 CE LYS A 85 8.348 -13.941 -49.046 1.00 0.00 C ATOM 1050 NZ LYS A 85 9.425 -13.179 -48.365 1.00 0.00 N ATOM 0 H LYS A 85 6.925 -18.726 -50.155 1.00 0.00 H new ATOM 0 HA LYS A 85 8.305 -17.838 -47.777 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.441 -17.556 -48.717 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.051 -16.871 -47.224 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.121 -16.212 -49.996 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.965 -15.236 -49.112 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.658 -14.942 -47.268 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.814 -15.868 -48.204 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.678 -14.214 -50.048 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.472 -13.302 -49.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.656 -12.332 -48.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.103 -12.894 -47.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.271 -13.777 -48.277 1.00 0.00 H new ATOM 1064 N GLY A 86 6.182 -20.330 -47.681 1.00 0.00 N ATOM 1065 CA GLY A 86 5.772 -21.444 -46.855 1.00 0.00 C ATOM 1066 C GLY A 86 4.274 -21.519 -46.638 1.00 0.00 C ATOM 1067 O GLY A 86 3.810 -22.150 -45.684 1.00 0.00 O ATOM 0 H GLY A 86 5.849 -20.362 -48.645 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.111 -22.372 -47.316 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.268 -21.370 -45.887 1.00 0.00 H new ATOM 1071 N CYS A 87 3.521 -20.880 -47.498 1.00 0.00 N ATOM 1072 CA CYS A 87 2.079 -20.905 -47.416 1.00 0.00 C ATOM 1073 C CYS A 87 1.490 -21.597 -48.636 1.00 0.00 C ATOM 1074 O CYS A 87 1.404 -21.024 -49.710 1.00 0.00 O ATOM 1075 CB CYS A 87 1.549 -19.495 -47.288 1.00 0.00 C ATOM 1076 SG CYS A 87 2.522 -18.291 -48.177 1.00 0.00 S ATOM 0 H CYS A 87 3.888 -20.328 -48.274 1.00 0.00 H new ATOM 0 HA CYS A 87 1.782 -21.470 -46.533 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.523 -19.465 -47.655 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.518 -19.220 -46.234 1.00 0.00 H new ATOM 1081 N THR A 88 1.098 -22.834 -48.462 1.00 0.00 N ATOM 1082 CA THR A 88 0.554 -23.622 -49.543 1.00 0.00 C ATOM 1083 C THR A 88 -0.933 -23.351 -49.736 1.00 0.00 C ATOM 1084 O THR A 88 -1.758 -24.272 -49.739 1.00 0.00 O ATOM 1085 CB THR A 88 0.785 -25.117 -49.298 1.00 0.00 C ATOM 1086 OG1 THR A 88 0.416 -25.458 -47.952 1.00 0.00 O ATOM 1087 CG2 THR A 88 2.240 -25.480 -49.539 1.00 0.00 C ATOM 0 H THR A 88 1.146 -23.324 -47.569 1.00 0.00 H new ATOM 0 HA THR A 88 1.076 -23.328 -50.454 1.00 0.00 H new ATOM 0 HB THR A 88 0.164 -25.680 -49.995 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.565 -26.415 -47.804 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.384 -26.546 -49.360 1.00 0.00 H new ATOM 0 HG22 THR A 88 2.508 -25.246 -50.569 1.00 0.00 H new ATOM 0 HG23 THR A 88 2.875 -24.909 -48.861 1.00 0.00 H new ATOM 1095 N GLY A 89 -1.265 -22.090 -49.893 1.00 0.00 N ATOM 1096 CA GLY A 89 -2.628 -21.712 -50.099 1.00 0.00 C ATOM 1097 C GLY A 89 -3.038 -20.540 -49.237 1.00 0.00 C ATOM 1098 O GLY A 89 -2.377 -20.232 -48.251 1.00 0.00 O ATOM 0 H GLY A 89 -0.603 -21.314 -49.881 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.777 -21.457 -51.148 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.275 -22.562 -49.883 1.00 0.00 H new ATOM 1102 N PRO A 90 -4.151 -19.887 -49.588 1.00 0.00 N ATOM 1103 CA PRO A 90 -4.665 -18.691 -48.887 1.00 0.00 C ATOM 1104 C PRO A 90 -4.962 -18.948 -47.421 1.00 0.00 C ATOM 1105 O PRO A 90 -4.790 -18.069 -46.579 1.00 0.00 O ATOM 1106 CB PRO A 90 -5.963 -18.364 -49.632 1.00 0.00 C ATOM 1107 CG PRO A 90 -6.307 -19.605 -50.375 1.00 0.00 C ATOM 1108 CD PRO A 90 -5.003 -20.269 -50.702 1.00 0.00 C ATOM 0 HA PRO A 90 -3.932 -17.885 -48.893 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.757 -18.087 -48.938 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.826 -17.523 -50.312 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.937 -20.259 -49.771 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.865 -19.374 -51.282 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.109 -21.351 -50.776 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.601 -19.922 -51.654 1.00 0.00 H new ATOM 1116 N ASP A 91 -5.391 -20.162 -47.121 1.00 0.00 N ATOM 1117 CA ASP A 91 -5.721 -20.554 -45.756 1.00 0.00 C ATOM 1118 C ASP A 91 -4.485 -20.541 -44.871 1.00 0.00 C ATOM 1119 O ASP A 91 -4.584 -20.486 -43.645 1.00 0.00 O ATOM 1120 CB ASP A 91 -6.352 -21.940 -45.742 1.00 0.00 C ATOM 1121 CG ASP A 91 -7.674 -21.993 -46.472 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -8.722 -21.776 -45.833 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -7.671 -22.257 -47.695 1.00 0.00 O ATOM 0 H ASP A 91 -5.521 -20.902 -47.811 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.435 -19.831 -45.362 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.663 -22.652 -46.197 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.500 -22.255 -44.709 1.00 0.00 H new ATOM 1128 N SER A 92 -3.326 -20.602 -45.495 1.00 0.00 N ATOM 1129 CA SER A 92 -2.072 -20.574 -44.777 1.00 0.00 C ATOM 1130 C SER A 92 -1.282 -19.320 -45.136 1.00 0.00 C ATOM 1131 O SER A 92 -0.215 -19.066 -44.578 1.00 0.00 O ATOM 1132 CB SER A 92 -1.252 -21.820 -45.114 1.00 0.00 C ATOM 1133 OG SER A 92 -2.009 -22.998 -44.893 1.00 0.00 O ATOM 0 H SER A 92 -3.229 -20.672 -46.508 1.00 0.00 H new ATOM 0 HA SER A 92 -2.282 -20.561 -43.707 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.931 -21.779 -46.155 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.350 -21.843 -44.503 1.00 0.00 H new ATOM 0 HG SER A 92 -1.466 -23.783 -45.116 1.00 0.00 H new ATOM 1139 N CYS A 93 -1.812 -18.538 -46.064 1.00 0.00 N ATOM 1140 CA CYS A 93 -1.130 -17.346 -46.522 1.00 0.00 C ATOM 1141 C CYS A 93 -1.303 -16.199 -45.554 1.00 0.00 C ATOM 1142 O CYS A 93 -2.424 -15.798 -45.229 1.00 0.00 O ATOM 1143 CB CYS A 93 -1.610 -16.924 -47.912 1.00 0.00 C ATOM 1144 SG CYS A 93 -0.793 -15.435 -48.539 1.00 0.00 S ATOM 0 H CYS A 93 -2.712 -18.711 -46.512 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.070 -17.595 -46.579 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.440 -17.743 -48.610 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.686 -16.752 -47.879 1.00 0.00 H new ATOM 1149 N LYS A 94 -0.193 -15.693 -45.086 1.00 0.00 N ATOM 1150 CA LYS A 94 -0.181 -14.537 -44.200 1.00 0.00 C ATOM 1151 C LYS A 94 0.265 -13.314 -44.982 1.00 0.00 C ATOM 1152 O LYS A 94 0.417 -12.225 -44.431 1.00 0.00 O ATOM 1153 CB LYS A 94 0.812 -14.762 -43.067 1.00 0.00 C ATOM 1154 CG LYS A 94 2.248 -14.835 -43.564 1.00 0.00 C ATOM 1155 CD LYS A 94 3.250 -14.756 -42.441 1.00 0.00 C ATOM 1156 CE LYS A 94 4.663 -14.851 -42.981 1.00 0.00 C ATOM 1157 NZ LYS A 94 5.664 -15.007 -41.902 1.00 0.00 N ATOM 0 H LYS A 94 0.733 -16.063 -45.302 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.182 -14.392 -43.795 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.722 -13.953 -42.342 1.00 0.00 H new ATOM 0 HB3 LYS A 94 0.563 -15.687 -42.546 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.393 -15.766 -44.112 1.00 0.00 H new ATOM 0 HG3 LYS A 94 2.428 -14.021 -44.266 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.124 -13.819 -41.899 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.072 -15.562 -41.729 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.733 -15.697 -43.664 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.890 -13.955 -43.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.616 -15.068 -42.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 5.617 -14.187 -41.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.464 -15.876 -41.366 1.00 0.00 H new ATOM 1171 N CYS A 95 0.487 -13.506 -46.260 1.00 0.00 N ATOM 1172 CA CYS A 95 1.035 -12.474 -47.085 1.00 0.00 C ATOM 1173 C CYS A 95 -0.028 -11.854 -47.990 1.00 0.00 C ATOM 1174 O CYS A 95 -0.625 -12.525 -48.833 1.00 0.00 O ATOM 1175 CB CYS A 95 2.174 -13.049 -47.908 1.00 0.00 C ATOM 1176 SG CYS A 95 3.300 -14.152 -46.965 1.00 0.00 S ATOM 0 H CYS A 95 0.292 -14.380 -46.749 1.00 0.00 H new ATOM 0 HA CYS A 95 1.413 -11.677 -46.445 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.757 -13.606 -48.747 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.755 -12.228 -48.328 1.00 0.00 H new ATOM 1181 N ASP A 96 -0.241 -10.571 -47.828 1.00 0.00 N ATOM 1182 CA ASP A 96 -1.252 -9.863 -48.609 1.00 0.00 C ATOM 1183 C ASP A 96 -0.760 -9.657 -50.019 1.00 0.00 C ATOM 1184 O ASP A 96 -1.121 -10.397 -50.925 1.00 0.00 O ATOM 1185 CB ASP A 96 -1.617 -8.527 -47.966 1.00 0.00 C ATOM 1186 CG ASP A 96 -2.087 -8.680 -46.541 1.00 0.00 C ATOM 1187 OD1 ASP A 96 -3.113 -9.353 -46.314 1.00 0.00 O ATOM 1188 OD2 ASP A 96 -1.420 -8.138 -45.637 1.00 0.00 O ATOM 0 H ASP A 96 0.267 -9.987 -47.164 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.155 -10.473 -48.633 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.750 -7.867 -47.990 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.399 -8.047 -48.553 1.00 0.00 H new ATOM 1193 N ARG A 97 0.074 -8.666 -50.215 1.00 0.00 N ATOM 1194 CA ARG A 97 0.668 -8.459 -51.513 1.00 0.00 C ATOM 1195 C ARG A 97 2.125 -8.879 -51.460 1.00 0.00 C ATOM 1196 O ARG A 97 2.826 -8.883 -52.468 1.00 0.00 O ATOM 1197 CB ARG A 97 0.584 -7.004 -51.918 1.00 0.00 C ATOM 1198 CG ARG A 97 1.511 -6.122 -51.129 1.00 0.00 C ATOM 1199 CD ARG A 97 1.447 -4.712 -51.604 1.00 0.00 C ATOM 1200 NE ARG A 97 2.242 -3.808 -50.775 1.00 0.00 N ATOM 1201 CZ ARG A 97 2.296 -2.484 -50.950 1.00 0.00 C ATOM 1202 NH1 ARG A 97 1.638 -1.914 -51.960 1.00 0.00 N ATOM 1203 NH2 ARG A 97 3.004 -1.731 -50.117 1.00 0.00 N ATOM 0 H ARG A 97 0.355 -7.995 -49.500 1.00 0.00 H new ATOM 0 HA ARG A 97 0.126 -9.055 -52.247 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.819 -6.913 -52.978 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.440 -6.655 -51.788 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.247 -6.165 -50.072 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.532 -6.492 -51.217 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.801 -4.662 -52.634 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.409 -4.379 -51.607 1.00 0.00 H new ATOM 0 HE ARG A 97 2.790 -4.213 -50.016 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.092 -2.489 -52.602 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.681 -0.903 -52.091 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.508 -2.163 -49.342 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.044 -0.721 -50.252 1.00 0.00 H new ATOM 1217 N SER A 98 2.566 -9.244 -50.261 1.00 0.00 N ATOM 1218 CA SER A 98 3.951 -9.615 -50.015 1.00 0.00 C ATOM 1219 C SER A 98 4.305 -10.938 -50.683 1.00 0.00 C ATOM 1220 O SER A 98 5.463 -11.338 -50.705 1.00 0.00 O ATOM 1221 CB SER A 98 4.208 -9.699 -48.513 1.00 0.00 C ATOM 1222 OG SER A 98 3.739 -8.534 -47.859 1.00 0.00 O ATOM 0 H SER A 98 1.972 -9.290 -49.433 1.00 0.00 H new ATOM 0 HA SER A 98 4.587 -8.844 -50.450 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.711 -10.578 -48.103 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.275 -9.821 -48.328 1.00 0.00 H new ATOM 0 HG SER A 98 3.911 -8.607 -46.897 1.00 0.00 H new ATOM 1228 N CYS A 99 3.313 -11.609 -51.222 1.00 0.00 N ATOM 1229 CA CYS A 99 3.549 -12.856 -51.893 1.00 0.00 C ATOM 1230 C CYS A 99 3.803 -12.603 -53.369 1.00 0.00 C ATOM 1231 O CYS A 99 3.046 -11.889 -54.026 1.00 0.00 O ATOM 1232 CB CYS A 99 2.384 -13.803 -51.696 1.00 0.00 C ATOM 1233 SG CYS A 99 2.898 -15.485 -51.360 1.00 0.00 S ATOM 0 H CYS A 99 2.338 -11.309 -51.206 1.00 0.00 H new ATOM 0 HA CYS A 99 4.432 -13.328 -51.462 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.768 -13.446 -50.871 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.759 -13.792 -52.589 1.00 0.00 H new ATOM 1238 N SER A 100 4.861 -13.199 -53.882 1.00 0.00 N ATOM 1239 CA SER A 100 5.306 -12.972 -55.253 1.00 0.00 C ATOM 1240 C SER A 100 4.331 -13.527 -56.298 1.00 0.00 C ATOM 1241 O SER A 100 4.423 -13.187 -57.476 1.00 0.00 O ATOM 1242 CB SER A 100 6.677 -13.601 -55.436 1.00 0.00 C ATOM 1243 OG SER A 100 7.525 -13.262 -54.349 1.00 0.00 O ATOM 0 H SER A 100 5.442 -13.857 -53.363 1.00 0.00 H new ATOM 0 HA SER A 100 5.351 -11.895 -55.412 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.581 -14.684 -55.507 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.119 -13.259 -56.371 1.00 0.00 H new ATOM 0 HG SER A 100 8.404 -13.675 -54.479 1.00 0.00 H new ATOM 1249 N CYS A 101 3.408 -14.367 -55.875 1.00 0.00 N ATOM 1250 CA CYS A 101 2.469 -14.969 -56.807 1.00 0.00 C ATOM 1251 C CYS A 101 1.297 -14.031 -57.103 1.00 0.00 C ATOM 1252 O CYS A 101 0.604 -14.192 -58.111 1.00 0.00 O ATOM 1253 CB CYS A 101 1.935 -16.270 -56.246 1.00 0.00 C ATOM 1254 SG CYS A 101 0.733 -16.038 -54.927 1.00 0.00 S ATOM 0 H CYS A 101 3.286 -14.648 -54.902 1.00 0.00 H new ATOM 0 HA CYS A 101 3.006 -15.160 -57.736 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.474 -16.843 -57.051 1.00 0.00 H new ATOM 0 HB3 CYS A 101 2.768 -16.864 -55.869 1.00 0.00 H new ATOM 1259 N LYS A 102 1.075 -13.057 -56.228 1.00 0.00 N ATOM 1260 CA LYS A 102 -0.049 -12.141 -56.381 1.00 0.00 C ATOM 1261 C LYS A 102 0.124 -11.272 -57.627 1.00 0.00 C ATOM 1262 O LYS A 102 0.929 -10.289 -57.560 1.00 0.00 O ATOM 1263 CB LYS A 102 -0.202 -11.248 -55.146 1.00 0.00 C ATOM 1264 CG LYS A 102 -0.261 -11.987 -53.812 1.00 0.00 C ATOM 1265 CD LYS A 102 -1.330 -13.082 -53.778 1.00 0.00 C ATOM 1266 CE LYS A 102 -1.521 -13.582 -52.349 1.00 0.00 C ATOM 1267 NZ LYS A 102 -2.318 -12.646 -51.516 1.00 0.00 N ATOM 0 H LYS A 102 1.656 -12.882 -55.408 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.951 -12.743 -56.492 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.633 -10.548 -55.118 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.111 -10.656 -55.256 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.713 -12.432 -53.607 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.458 -11.270 -53.015 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.272 -12.694 -54.165 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.036 -13.909 -54.425 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -2.015 -14.553 -52.371 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.545 -13.732 -51.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.360 -13.000 -50.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -1.871 -11.707 -51.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.282 -12.574 -51.900 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 200 1.981 -15.844 -48.770 1.00 0.00 CD HETATM 1283 CD CD A 201 3.834 -19.456 -51.284 1.00 0.00 CD HETATM 1284 CD CD A 202 1.337 -17.304 -52.712 1.00 0.00 CD HETATM 1285 CD CD A 203 -8.953 -2.056 -47.390 1.00 0.00 CD HETATM 1286 CD CD A 204 -11.916 -5.430 -47.439 1.00 0.00 CD HETATM 1287 CD CD A 205 -10.832 -3.702 -51.098 1.00 0.00 CD HETATM 1288 CD CD A 206 -1.171 -5.624 -31.861 1.00 0.00 CD HETATM 1289 CD CD A 207 -4.174 -3.120 -30.629 1.00 0.00 CD HETATM 1290 CD CD A 208 -1.269 -1.689 -33.720 1.00 0.00 CD