USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=30 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 72 THR OG1 : rot -72:sc= -1.47! USER MOD Set 1.2: A 102 LYS NZ :NH3+ -171:sc= 1.8 (180deg=1.68) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= -0.164 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0.00559 USER MOD Set 2.3: A 27 ASN : amide:sc= -0.689 X(o=-0.85,f=-0.47) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.278 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 15:sc= 0.878 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0888 (180deg=-0.459) USER MOD Single : A 17 GLN : amide:sc= -1.45 K(o=-1.5,f=-0.036) USER MOD Single : A 18 THR OG1 : rot 48:sc= 0.0427 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= 0.093 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.58) USER MOD Single : A 36 SER OG : rot 98:sc= 0.587 USER MOD Single : A 38 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.114) USER MOD Single : A 39 TYR OH : rot 69:sc= 1.36 USER MOD Single : A 44 THR OG1 : rot 180:sc=0.000401 USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0.387 (180deg=0.258) USER MOD Single : A 49 GLN : amide:sc= -1.16 K(o=-1.2,f=-7.1!) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0191 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -23:sc= 0.626 USER MOD Single : A 60 ASN : amide:sc= -0.0288 X(o=-0.029,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0576 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.0143 (180deg=-0.163) USER MOD Single : A 68 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.4) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -119:sc= 0.187 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 169:sc=-0.00897 (180deg=-0.123) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 23:sc= 0.865 USER MOD Single : A 92 SER OG : rot 63:sc= 1.2 USER MOD Single : A 94 LYS NZ :NH3+ -141:sc= -0.957 (180deg=-3.08!) USER MOD Single : A 98 SER OG : rot 180:sc= -0.277 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.074 -3.478 -14.550 1.00 0.00 N ATOM 2 CA GLY A 1 7.812 -3.400 -15.842 1.00 0.00 C ATOM 3 C GLY A 1 6.933 -3.746 -17.028 1.00 0.00 C ATOM 4 O GLY A 1 6.504 -2.862 -17.777 1.00 0.00 O ATOM 0 H1 GLY A 1 7.715 -3.233 -13.769 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.276 -2.811 -14.565 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.715 -4.444 -14.413 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.211 -2.394 -15.970 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.664 -4.080 -15.813 1.00 0.00 H new ATOM 7 N SER A 2 6.653 -5.023 -17.196 1.00 0.00 N ATOM 8 CA SER A 2 5.820 -5.479 -18.284 1.00 0.00 C ATOM 9 C SER A 2 4.562 -6.147 -17.726 1.00 0.00 C ATOM 10 O SER A 2 4.301 -6.085 -16.519 1.00 0.00 O ATOM 11 CB SER A 2 6.606 -6.454 -19.176 1.00 0.00 C ATOM 12 OG SER A 2 5.912 -6.722 -20.387 1.00 0.00 O ATOM 0 H SER A 2 6.994 -5.766 -16.586 1.00 0.00 H new ATOM 0 HA SER A 2 5.520 -4.626 -18.892 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.586 -6.034 -19.402 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.775 -7.387 -18.638 1.00 0.00 H new ATOM 0 HG SER A 2 6.437 -7.343 -20.934 1.00 0.00 H new ATOM 18 N MET A 3 3.789 -6.769 -18.593 1.00 0.00 N ATOM 19 CA MET A 3 2.569 -7.442 -18.188 1.00 0.00 C ATOM 20 C MET A 3 2.684 -8.938 -18.430 1.00 0.00 C ATOM 21 O MET A 3 2.638 -9.400 -19.572 1.00 0.00 O ATOM 22 CB MET A 3 1.357 -6.869 -18.932 1.00 0.00 C ATOM 23 CG MET A 3 0.997 -5.450 -18.523 1.00 0.00 C ATOM 24 SD MET A 3 -0.434 -4.804 -19.417 1.00 0.00 S ATOM 25 CE MET A 3 -0.607 -3.195 -18.647 1.00 0.00 C ATOM 0 H MET A 3 3.986 -6.823 -19.592 1.00 0.00 H new ATOM 0 HA MET A 3 2.423 -7.272 -17.121 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.558 -6.888 -20.003 1.00 0.00 H new ATOM 0 HB3 MET A 3 0.497 -7.516 -18.758 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.792 -5.426 -17.453 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.853 -4.798 -18.698 1.00 0.00 H new ATOM 0 HE1 MET A 3 -1.452 -2.668 -19.091 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.779 -3.320 -17.578 1.00 0.00 H new ATOM 0 HE3 MET A 3 0.304 -2.617 -18.803 1.00 0.00 H new ATOM 35 N SER A 4 2.841 -9.684 -17.357 1.00 0.00 N ATOM 36 CA SER A 4 2.994 -11.123 -17.439 1.00 0.00 C ATOM 37 C SER A 4 1.677 -11.830 -17.125 1.00 0.00 C ATOM 38 O SER A 4 0.847 -11.307 -16.375 1.00 0.00 O ATOM 39 CB SER A 4 4.089 -11.579 -16.473 1.00 0.00 C ATOM 40 OG SER A 4 5.301 -10.879 -16.721 1.00 0.00 O ATOM 0 H SER A 4 2.866 -9.313 -16.407 1.00 0.00 H new ATOM 0 HA SER A 4 3.281 -11.387 -18.457 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.768 -11.408 -15.445 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.254 -12.651 -16.582 1.00 0.00 H new ATOM 0 HG SER A 4 5.989 -11.183 -16.092 1.00 0.00 H new ATOM 46 N SER A 5 1.493 -13.016 -17.712 1.00 0.00 N ATOM 47 CA SER A 5 0.285 -13.846 -17.529 1.00 0.00 C ATOM 48 C SER A 5 -1.004 -13.073 -17.836 1.00 0.00 C ATOM 49 O SER A 5 -2.064 -13.352 -17.266 1.00 0.00 O ATOM 50 CB SER A 5 0.239 -14.480 -16.113 1.00 0.00 C ATOM 51 OG SER A 5 0.294 -13.504 -15.079 1.00 0.00 O ATOM 0 H SER A 5 2.182 -13.437 -18.335 1.00 0.00 H new ATOM 0 HA SER A 5 0.349 -14.657 -18.255 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.675 -15.064 -16.009 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.074 -15.172 -16.000 1.00 0.00 H new ATOM 0 HG SER A 5 0.117 -12.617 -15.456 1.00 0.00 H new ATOM 57 N VAL A 6 -0.917 -12.129 -18.757 1.00 0.00 N ATOM 58 CA VAL A 6 -2.070 -11.340 -19.130 1.00 0.00 C ATOM 59 C VAL A 6 -2.603 -11.774 -20.482 1.00 0.00 C ATOM 60 O VAL A 6 -1.958 -11.581 -21.512 1.00 0.00 O ATOM 61 CB VAL A 6 -1.764 -9.822 -19.155 1.00 0.00 C ATOM 62 CG1 VAL A 6 -3.003 -9.031 -19.547 1.00 0.00 C ATOM 63 CG2 VAL A 6 -1.252 -9.356 -17.805 1.00 0.00 C ATOM 0 H VAL A 6 -0.060 -11.893 -19.257 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.827 -11.515 -18.366 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.988 -9.646 -19.900 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.767 -7.967 -19.559 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.333 -9.340 -20.539 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.798 -9.218 -18.825 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.043 -8.287 -17.844 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.007 -9.551 -17.043 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.338 -9.895 -17.557 1.00 0.00 H new ATOM 73 N PHE A 7 -3.766 -12.369 -20.467 1.00 0.00 N ATOM 74 CA PHE A 7 -4.417 -12.813 -21.675 1.00 0.00 C ATOM 75 C PHE A 7 -5.719 -12.053 -21.859 1.00 0.00 C ATOM 76 O PHE A 7 -6.625 -12.139 -21.029 1.00 0.00 O ATOM 77 CB PHE A 7 -4.645 -14.340 -21.649 1.00 0.00 C ATOM 78 CG PHE A 7 -5.339 -14.857 -20.409 1.00 0.00 C ATOM 79 CD1 PHE A 7 -6.698 -15.128 -20.420 1.00 0.00 C ATOM 80 CD2 PHE A 7 -4.627 -15.075 -19.238 1.00 0.00 C ATOM 81 CE1 PHE A 7 -7.332 -15.602 -19.290 1.00 0.00 C ATOM 82 CE2 PHE A 7 -5.256 -15.548 -18.106 1.00 0.00 C ATOM 83 CZ PHE A 7 -6.611 -15.811 -18.131 1.00 0.00 C ATOM 0 H PHE A 7 -4.292 -12.561 -19.615 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.773 -12.603 -22.529 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.235 -14.620 -22.522 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.680 -14.839 -21.743 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -7.267 -14.966 -21.323 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.567 -14.872 -19.213 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -8.392 -15.809 -19.312 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.690 -15.712 -17.201 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.107 -16.180 -17.245 1.00 0.00 H new ATOM 93 N GLY A 8 -5.797 -11.286 -22.930 1.00 0.00 N ATOM 94 CA GLY A 8 -6.964 -10.464 -23.163 1.00 0.00 C ATOM 95 C GLY A 8 -6.913 -9.175 -22.355 1.00 0.00 C ATOM 96 O GLY A 8 -6.456 -9.175 -21.211 1.00 0.00 O ATOM 0 H GLY A 8 -5.073 -11.216 -23.645 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -7.036 -10.226 -24.224 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.862 -11.023 -22.900 1.00 0.00 H new ATOM 100 N ALA A 9 -7.345 -8.074 -22.971 1.00 0.00 N ATOM 101 CA ALA A 9 -7.396 -6.746 -22.325 1.00 0.00 C ATOM 102 C ALA A 9 -6.013 -6.226 -21.912 1.00 0.00 C ATOM 103 O ALA A 9 -5.897 -5.178 -21.275 1.00 0.00 O ATOM 104 CB ALA A 9 -8.338 -6.764 -21.130 1.00 0.00 C ATOM 0 H ALA A 9 -7.673 -8.070 -23.937 1.00 0.00 H new ATOM 0 HA ALA A 9 -7.780 -6.053 -23.073 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -8.360 -5.776 -20.669 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.341 -7.033 -21.461 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.988 -7.496 -20.402 1.00 0.00 H new ATOM 110 N GLY A 10 -4.975 -6.942 -22.293 1.00 0.00 N ATOM 111 CA GLY A 10 -3.633 -6.546 -21.942 1.00 0.00 C ATOM 112 C GLY A 10 -2.980 -5.750 -23.036 1.00 0.00 C ATOM 113 O GLY A 10 -1.988 -6.181 -23.623 1.00 0.00 O ATOM 0 H GLY A 10 -5.038 -7.798 -22.844 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.657 -5.954 -21.027 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.036 -7.433 -21.732 1.00 0.00 H new ATOM 117 N CYS A 11 -3.539 -4.597 -23.324 1.00 0.00 N ATOM 118 CA CYS A 11 -3.006 -3.738 -24.362 1.00 0.00 C ATOM 119 C CYS A 11 -1.808 -2.946 -23.890 1.00 0.00 C ATOM 120 O CYS A 11 -1.615 -2.726 -22.688 1.00 0.00 O ATOM 121 CB CYS A 11 -4.075 -2.806 -24.905 1.00 0.00 C ATOM 122 SG CYS A 11 -5.301 -3.640 -25.916 1.00 0.00 S ATOM 0 H CYS A 11 -4.366 -4.229 -22.853 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.671 -4.392 -25.167 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.576 -2.315 -24.071 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.599 -2.024 -25.496 1.00 0.00 H new ATOM 127 N THR A 12 -1.023 -2.510 -24.842 1.00 0.00 N ATOM 128 CA THR A 12 0.172 -1.761 -24.575 1.00 0.00 C ATOM 129 C THR A 12 -0.150 -0.277 -24.471 1.00 0.00 C ATOM 130 O THR A 12 -1.233 0.165 -24.876 1.00 0.00 O ATOM 131 CB THR A 12 1.220 -1.992 -25.695 1.00 0.00 C ATOM 132 OG1 THR A 12 2.408 -1.253 -25.422 1.00 0.00 O ATOM 133 CG2 THR A 12 0.662 -1.573 -27.054 1.00 0.00 C ATOM 0 H THR A 12 -1.200 -2.668 -25.834 1.00 0.00 H new ATOM 0 HA THR A 12 0.588 -2.104 -23.628 1.00 0.00 H new ATOM 0 HB THR A 12 1.454 -3.056 -25.722 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.061 -1.409 -26.136 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.414 -1.744 -27.824 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.228 -2.161 -27.279 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.401 -0.515 -27.030 1.00 0.00 H new ATOM 141 N ASP A 13 0.784 0.480 -23.938 1.00 0.00 N ATOM 142 CA ASP A 13 0.628 1.916 -23.798 1.00 0.00 C ATOM 143 C ASP A 13 0.619 2.568 -25.174 1.00 0.00 C ATOM 144 O ASP A 13 -0.022 3.590 -25.383 1.00 0.00 O ATOM 145 CB ASP A 13 1.758 2.496 -22.937 1.00 0.00 C ATOM 146 CG ASP A 13 3.121 2.388 -23.594 1.00 0.00 C ATOM 147 OD1 ASP A 13 3.686 1.272 -23.633 1.00 0.00 O ATOM 148 OD2 ASP A 13 3.640 3.416 -24.070 1.00 0.00 O ATOM 0 H ASP A 13 1.673 0.121 -23.589 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.320 2.123 -23.301 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.545 3.544 -22.726 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.781 1.976 -21.979 1.00 0.00 H new ATOM 153 N THR A 14 1.300 1.931 -26.120 1.00 0.00 N ATOM 154 CA THR A 14 1.378 2.409 -27.494 1.00 0.00 C ATOM 155 C THR A 14 -0.013 2.424 -28.156 1.00 0.00 C ATOM 156 O THR A 14 -0.241 3.113 -29.155 1.00 0.00 O ATOM 157 CB THR A 14 2.319 1.505 -28.314 1.00 0.00 C ATOM 158 OG1 THR A 14 3.510 1.237 -27.558 1.00 0.00 O ATOM 159 CG2 THR A 14 2.699 2.165 -29.623 1.00 0.00 C ATOM 0 H THR A 14 1.815 1.066 -25.954 1.00 0.00 H new ATOM 0 HA THR A 14 1.767 3.427 -27.473 1.00 0.00 H new ATOM 0 HB THR A 14 1.796 0.574 -28.530 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.106 0.661 -28.080 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.363 1.507 -30.183 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.800 2.356 -30.209 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.208 3.108 -29.421 1.00 0.00 H new ATOM 167 N CYS A 15 -0.935 1.691 -27.567 1.00 0.00 N ATOM 168 CA CYS A 15 -2.283 1.569 -28.090 1.00 0.00 C ATOM 169 C CYS A 15 -3.184 2.688 -27.549 1.00 0.00 C ATOM 170 O CYS A 15 -4.390 2.709 -27.789 1.00 0.00 O ATOM 171 CB CYS A 15 -2.842 0.205 -27.699 1.00 0.00 C ATOM 172 SG CYS A 15 -4.451 -0.193 -28.409 1.00 0.00 S ATOM 0 H CYS A 15 -0.772 1.162 -26.711 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.256 1.660 -29.176 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.129 -0.563 -28.000 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -2.920 0.159 -26.613 1.00 0.00 H new ATOM 177 N LYS A 16 -2.596 3.616 -26.824 1.00 0.00 N ATOM 178 CA LYS A 16 -3.364 4.702 -26.227 1.00 0.00 C ATOM 179 C LYS A 16 -3.120 6.013 -26.948 1.00 0.00 C ATOM 180 O LYS A 16 -3.585 7.062 -26.512 1.00 0.00 O ATOM 181 CB LYS A 16 -2.984 4.850 -24.754 1.00 0.00 C ATOM 182 CG LYS A 16 -3.039 3.544 -23.984 1.00 0.00 C ATOM 183 CD LYS A 16 -4.431 2.950 -24.005 1.00 0.00 C ATOM 184 CE LYS A 16 -5.409 3.769 -23.170 1.00 0.00 C ATOM 185 NZ LYS A 16 -4.985 3.863 -21.747 1.00 0.00 N ATOM 0 H LYS A 16 -1.595 3.646 -26.631 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.422 4.457 -26.316 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.977 5.261 -24.686 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.655 5.569 -24.284 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.332 2.835 -24.416 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.730 3.714 -22.953 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.788 2.896 -25.034 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.396 1.929 -23.626 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.493 4.771 -23.590 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.399 3.316 -23.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.799 4.133 -21.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.621 2.941 -21.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.238 4.580 -21.654 1.00 0.00 H new ATOM 199 N GLN A 17 -2.412 5.951 -28.057 1.00 0.00 N ATOM 200 CA GLN A 17 -2.032 7.159 -28.774 1.00 0.00 C ATOM 201 C GLN A 17 -3.118 7.576 -29.755 1.00 0.00 C ATOM 202 O GLN A 17 -4.003 6.792 -30.085 1.00 0.00 O ATOM 203 CB GLN A 17 -0.717 6.946 -29.529 1.00 0.00 C ATOM 204 CG GLN A 17 0.321 6.117 -28.784 1.00 0.00 C ATOM 205 CD GLN A 17 0.653 6.656 -27.409 1.00 0.00 C ATOM 206 OE1 GLN A 17 1.525 7.507 -27.262 1.00 0.00 O ATOM 207 NE2 GLN A 17 -0.012 6.147 -26.395 1.00 0.00 N ATOM 0 H GLN A 17 -2.087 5.083 -28.483 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.900 7.952 -28.038 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.935 6.460 -30.480 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.286 7.920 -29.760 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.045 5.095 -28.686 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.234 6.073 -29.378 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.730 5.441 -26.559 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.190 6.458 -25.445 1.00 0.00 H new ATOM 216 N THR A 18 -3.040 8.811 -30.213 1.00 0.00 N ATOM 217 CA THR A 18 -3.975 9.343 -31.203 1.00 0.00 C ATOM 218 C THR A 18 -3.235 10.230 -32.215 1.00 0.00 C ATOM 219 O THR A 18 -2.887 11.370 -31.911 1.00 0.00 O ATOM 220 CB THR A 18 -5.113 10.155 -30.539 1.00 0.00 C ATOM 221 OG1 THR A 18 -4.581 10.977 -29.490 1.00 0.00 O ATOM 222 CG2 THR A 18 -6.186 9.233 -29.974 1.00 0.00 C ATOM 0 H THR A 18 -2.329 9.478 -29.913 1.00 0.00 H new ATOM 0 HA THR A 18 -4.420 8.492 -31.719 1.00 0.00 H new ATOM 0 HB THR A 18 -5.568 10.787 -31.302 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.787 11.450 -29.816 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.973 9.830 -29.513 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.610 8.632 -30.779 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.744 8.576 -29.225 1.00 0.00 H new ATOM 230 N PRO A 19 -2.952 9.714 -33.428 1.00 0.00 N ATOM 231 CA PRO A 19 -3.324 8.354 -33.837 1.00 0.00 C ATOM 232 C PRO A 19 -2.515 7.293 -33.103 1.00 0.00 C ATOM 233 O PRO A 19 -1.454 7.582 -32.545 1.00 0.00 O ATOM 234 CB PRO A 19 -3.002 8.329 -35.330 1.00 0.00 C ATOM 235 CG PRO A 19 -1.933 9.349 -35.499 1.00 0.00 C ATOM 236 CD PRO A 19 -2.229 10.427 -34.497 1.00 0.00 C ATOM 0 HA PRO A 19 -4.366 8.131 -33.610 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.663 7.343 -35.646 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.880 8.571 -35.929 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -0.948 8.915 -35.326 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.931 9.748 -36.513 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.315 10.890 -34.124 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.835 11.222 -34.930 1.00 0.00 H new ATOM 244 N CYS A 20 -3.026 6.077 -33.104 1.00 0.00 N ATOM 245 CA CYS A 20 -2.403 4.965 -32.406 1.00 0.00 C ATOM 246 C CYS A 20 -0.979 4.733 -32.914 1.00 0.00 C ATOM 247 O CYS A 20 -0.690 4.935 -34.098 1.00 0.00 O ATOM 248 CB CYS A 20 -3.244 3.716 -32.604 1.00 0.00 C ATOM 249 SG CYS A 20 -3.024 2.447 -31.349 1.00 0.00 S ATOM 0 H CYS A 20 -3.888 5.830 -33.590 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.345 5.200 -31.343 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.295 4.004 -32.628 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.008 3.288 -33.578 1.00 0.00 H new ATOM 254 N GLY A 21 -0.100 4.295 -32.029 1.00 0.00 N ATOM 255 CA GLY A 21 1.285 4.103 -32.404 1.00 0.00 C ATOM 256 C GLY A 21 1.601 2.673 -32.785 1.00 0.00 C ATOM 257 O GLY A 21 2.766 2.310 -32.960 1.00 0.00 O ATOM 0 H GLY A 21 -0.319 4.069 -31.059 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.523 4.758 -33.242 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.925 4.402 -31.574 1.00 0.00 H new ATOM 261 N CYS A 22 0.573 1.860 -32.929 1.00 0.00 N ATOM 262 CA CYS A 22 0.755 0.458 -33.270 1.00 0.00 C ATOM 263 C CYS A 22 1.012 0.254 -34.754 1.00 0.00 C ATOM 264 O CYS A 22 1.030 -0.877 -35.238 1.00 0.00 O ATOM 265 CB CYS A 22 -0.439 -0.354 -32.815 1.00 0.00 C ATOM 266 SG CYS A 22 -0.626 -0.374 -31.031 1.00 0.00 S ATOM 0 H CYS A 22 -0.400 2.144 -32.815 1.00 0.00 H new ATOM 0 HA CYS A 22 1.643 0.108 -32.744 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.343 0.054 -33.266 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.336 -1.377 -33.177 1.00 0.00 H new ATOM 271 N GLY A 23 1.249 1.345 -35.472 1.00 0.00 N ATOM 272 CA GLY A 23 1.565 1.251 -36.881 1.00 0.00 C ATOM 273 C GLY A 23 2.918 0.600 -37.099 1.00 0.00 C ATOM 274 O GLY A 23 3.278 0.242 -38.219 1.00 0.00 O ATOM 0 H GLY A 23 1.227 2.295 -35.101 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.794 0.673 -37.391 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.562 2.247 -37.324 1.00 0.00 H new ATOM 278 N SER A 24 3.668 0.456 -36.016 1.00 0.00 N ATOM 279 CA SER A 24 4.970 -0.173 -36.055 1.00 0.00 C ATOM 280 C SER A 24 4.876 -1.650 -35.635 1.00 0.00 C ATOM 281 O SER A 24 5.799 -2.429 -35.865 1.00 0.00 O ATOM 282 CB SER A 24 5.922 0.570 -35.123 1.00 0.00 C ATOM 283 OG SER A 24 5.850 1.973 -35.338 1.00 0.00 O ATOM 0 H SER A 24 3.387 0.773 -35.088 1.00 0.00 H new ATOM 0 HA SER A 24 5.348 -0.130 -37.076 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.673 0.344 -34.086 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.943 0.225 -35.288 1.00 0.00 H new ATOM 0 HG SER A 24 6.467 2.429 -34.729 1.00 0.00 H new ATOM 289 N GLY A 25 3.751 -2.027 -35.039 1.00 0.00 N ATOM 290 CA GLY A 25 3.580 -3.377 -34.564 1.00 0.00 C ATOM 291 C GLY A 25 2.757 -3.406 -33.303 1.00 0.00 C ATOM 292 O GLY A 25 3.087 -2.729 -32.329 1.00 0.00 O ATOM 0 H GLY A 25 2.952 -1.413 -34.878 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.095 -3.978 -35.333 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.555 -3.826 -34.376 1.00 0.00 H new ATOM 296 N CYS A 26 1.695 -4.170 -33.315 1.00 0.00 N ATOM 297 CA CYS A 26 0.798 -4.243 -32.181 1.00 0.00 C ATOM 298 C CYS A 26 1.382 -5.086 -31.049 1.00 0.00 C ATOM 299 O CYS A 26 1.767 -6.240 -31.247 1.00 0.00 O ATOM 300 CB CYS A 26 -0.539 -4.798 -32.623 1.00 0.00 C ATOM 301 SG CYS A 26 -1.331 -3.823 -33.911 1.00 0.00 S ATOM 0 H CYS A 26 1.425 -4.757 -34.104 1.00 0.00 H new ATOM 0 HA CYS A 26 0.660 -3.234 -31.793 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.399 -5.817 -32.984 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.203 -4.854 -31.761 1.00 0.00 H new ATOM 306 N ASN A 27 1.448 -4.495 -29.870 1.00 0.00 N ATOM 307 CA ASN A 27 1.971 -5.170 -28.681 1.00 0.00 C ATOM 308 C ASN A 27 0.807 -5.560 -27.756 1.00 0.00 C ATOM 309 O ASN A 27 0.999 -6.050 -26.646 1.00 0.00 O ATOM 310 CB ASN A 27 2.958 -4.234 -27.951 1.00 0.00 C ATOM 311 CG ASN A 27 3.628 -4.855 -26.727 1.00 0.00 C ATOM 312 OD1 ASN A 27 3.866 -4.170 -25.730 1.00 0.00 O ATOM 313 ND2 ASN A 27 3.959 -6.134 -26.799 1.00 0.00 N ATOM 0 H ASN A 27 1.143 -3.536 -29.703 1.00 0.00 H new ATOM 0 HA ASN A 27 2.501 -6.077 -28.973 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.731 -3.921 -28.654 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.426 -3.335 -27.642 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.427 -6.585 -26.013 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.746 -6.669 -27.641 1.00 0.00 H new ATOM 320 N CYS A 28 -0.400 -5.355 -28.241 1.00 0.00 N ATOM 321 CA CYS A 28 -1.597 -5.647 -27.488 1.00 0.00 C ATOM 322 C CYS A 28 -2.082 -7.067 -27.774 1.00 0.00 C ATOM 323 O CYS A 28 -1.350 -7.874 -28.353 1.00 0.00 O ATOM 324 CB CYS A 28 -2.670 -4.620 -27.831 1.00 0.00 C ATOM 325 SG CYS A 28 -2.767 -4.218 -29.585 1.00 0.00 S ATOM 0 H CYS A 28 -0.577 -4.979 -29.173 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.377 -5.586 -26.422 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.638 -4.997 -27.501 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.476 -3.706 -27.270 1.00 0.00 H new ATOM 330 N LYS A 29 -3.300 -7.375 -27.360 1.00 0.00 N ATOM 331 CA LYS A 29 -3.851 -8.702 -27.561 1.00 0.00 C ATOM 332 C LYS A 29 -4.663 -8.751 -28.844 1.00 0.00 C ATOM 333 O LYS A 29 -5.084 -7.719 -29.356 1.00 0.00 O ATOM 334 CB LYS A 29 -4.720 -9.116 -26.361 1.00 0.00 C ATOM 335 CG LYS A 29 -3.997 -9.038 -25.019 1.00 0.00 C ATOM 336 CD LYS A 29 -2.730 -9.875 -25.026 1.00 0.00 C ATOM 337 CE LYS A 29 -1.871 -9.596 -23.822 1.00 0.00 C ATOM 338 NZ LYS A 29 -0.572 -10.312 -23.891 1.00 0.00 N ATOM 0 H LYS A 29 -3.924 -6.724 -26.883 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.024 -9.407 -27.646 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.602 -8.476 -26.325 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.072 -10.136 -26.514 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.749 -8.000 -24.797 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.660 -9.384 -24.226 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.993 -10.933 -25.048 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.163 -9.668 -25.933 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.691 -8.524 -23.745 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.403 -9.895 -22.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.513 -11.000 -23.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.498 -10.811 -24.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.207 -9.628 -23.807 1.00 0.00 H new ATOM 352 N GLU A 30 -4.899 -9.955 -29.343 1.00 0.00 N ATOM 353 CA GLU A 30 -5.658 -10.141 -30.591 1.00 0.00 C ATOM 354 C GLU A 30 -7.144 -9.872 -30.380 1.00 0.00 C ATOM 355 O GLU A 30 -7.948 -9.982 -31.304 1.00 0.00 O ATOM 356 CB GLU A 30 -5.465 -11.557 -31.155 1.00 0.00 C ATOM 357 CG GLU A 30 -6.012 -12.670 -30.267 1.00 0.00 C ATOM 358 CD GLU A 30 -6.012 -14.019 -30.962 1.00 0.00 C ATOM 359 OE1 GLU A 30 -4.920 -14.497 -31.339 1.00 0.00 O ATOM 360 OE2 GLU A 30 -7.102 -14.607 -31.130 1.00 0.00 O ATOM 0 H GLU A 30 -4.581 -10.822 -28.911 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.270 -9.421 -31.311 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.949 -11.616 -32.130 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.401 -11.728 -31.317 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.414 -12.733 -29.358 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.029 -12.421 -29.963 1.00 0.00 H new ATOM 367 N ASP A 31 -7.495 -9.520 -29.165 1.00 0.00 N ATOM 368 CA ASP A 31 -8.871 -9.244 -28.811 1.00 0.00 C ATOM 369 C ASP A 31 -9.072 -7.734 -28.689 1.00 0.00 C ATOM 370 O ASP A 31 -9.947 -7.267 -27.984 1.00 0.00 O ATOM 371 CB ASP A 31 -9.208 -9.946 -27.489 1.00 0.00 C ATOM 372 CG ASP A 31 -10.695 -10.011 -27.212 1.00 0.00 C ATOM 373 OD1 ASP A 31 -11.393 -10.789 -27.890 1.00 0.00 O ATOM 374 OD2 ASP A 31 -11.164 -9.311 -26.300 1.00 0.00 O ATOM 0 H ASP A 31 -6.836 -9.416 -28.393 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.538 -9.622 -29.586 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.804 -10.958 -27.509 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.715 -9.422 -26.670 1.00 0.00 H new ATOM 379 N CYS A 32 -8.244 -6.986 -29.396 1.00 0.00 N ATOM 380 CA CYS A 32 -8.294 -5.532 -29.368 1.00 0.00 C ATOM 381 C CYS A 32 -9.523 -5.000 -30.117 1.00 0.00 C ATOM 382 O CYS A 32 -9.883 -5.505 -31.180 1.00 0.00 O ATOM 383 CB CYS A 32 -7.014 -4.956 -29.979 1.00 0.00 C ATOM 384 SG CYS A 32 -6.941 -3.153 -29.989 1.00 0.00 S ATOM 0 H CYS A 32 -7.519 -7.366 -30.005 1.00 0.00 H new ATOM 0 HA CYS A 32 -8.374 -5.215 -28.328 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -6.157 -5.339 -29.426 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -6.920 -5.317 -31.003 1.00 0.00 H new ATOM 389 N ARG A 33 -10.164 -3.985 -29.549 1.00 0.00 N ATOM 390 CA ARG A 33 -11.334 -3.368 -30.162 1.00 0.00 C ATOM 391 C ARG A 33 -11.045 -1.902 -30.527 1.00 0.00 C ATOM 392 O ARG A 33 -11.851 -1.011 -30.253 1.00 0.00 O ATOM 393 CB ARG A 33 -12.554 -3.439 -29.233 1.00 0.00 C ATOM 394 CG ARG A 33 -13.151 -4.828 -29.099 1.00 0.00 C ATOM 395 CD ARG A 33 -12.421 -5.658 -28.065 1.00 0.00 C ATOM 396 NE ARG A 33 -12.687 -5.176 -26.709 1.00 0.00 N ATOM 397 CZ ARG A 33 -12.050 -5.588 -25.614 1.00 0.00 C ATOM 398 NH1 ARG A 33 -11.109 -6.516 -25.692 1.00 0.00 N ATOM 399 NH2 ARG A 33 -12.360 -5.062 -24.440 1.00 0.00 N ATOM 0 H ARG A 33 -9.890 -3.570 -28.658 1.00 0.00 H new ATOM 0 HA ARG A 33 -11.560 -3.926 -31.071 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.266 -3.082 -28.244 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.321 -2.760 -29.606 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.202 -4.746 -28.823 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.113 -5.334 -30.064 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.729 -6.700 -28.149 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.349 -5.625 -28.261 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.415 -4.471 -26.594 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.866 -6.922 -26.596 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.627 -6.825 -24.848 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.083 -4.345 -24.377 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.876 -5.373 -23.598 1.00 0.00 H new ATOM 413 N CYS A 34 -9.909 -1.662 -31.158 1.00 0.00 N ATOM 414 CA CYS A 34 -9.495 -0.303 -31.510 1.00 0.00 C ATOM 415 C CYS A 34 -9.548 -0.114 -33.013 1.00 0.00 C ATOM 416 O CYS A 34 -9.001 -0.907 -33.745 1.00 0.00 O ATOM 417 CB CYS A 34 -8.063 -0.048 -31.000 1.00 0.00 C ATOM 418 SG CYS A 34 -7.472 1.654 -31.172 1.00 0.00 S ATOM 0 H CYS A 34 -9.251 -2.388 -31.440 1.00 0.00 H new ATOM 0 HA CYS A 34 -10.176 0.408 -31.042 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -8.015 -0.327 -29.947 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.381 -0.708 -31.536 1.00 0.00 H new ATOM 423 N GLN A 35 -10.206 0.950 -33.469 1.00 0.00 N ATOM 424 CA GLN A 35 -10.334 1.222 -34.913 1.00 0.00 C ATOM 425 C GLN A 35 -8.973 1.441 -35.572 1.00 0.00 C ATOM 426 O GLN A 35 -8.845 1.359 -36.795 1.00 0.00 O ATOM 427 CB GLN A 35 -11.240 2.437 -35.166 1.00 0.00 C ATOM 428 CG GLN A 35 -12.685 2.234 -34.740 1.00 0.00 C ATOM 429 CD GLN A 35 -13.421 1.217 -35.597 1.00 0.00 C ATOM 430 OE1 GLN A 35 -13.175 1.094 -36.798 1.00 0.00 O ATOM 431 NE2 GLN A 35 -14.285 0.451 -34.972 1.00 0.00 N ATOM 0 H GLN A 35 -10.659 1.639 -32.869 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.790 0.340 -35.363 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.833 3.297 -34.634 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -11.216 2.679 -36.228 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.709 1.909 -33.700 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.209 3.188 -34.788 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.459 0.586 -33.976 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.782 -0.279 -35.482 1.00 0.00 H new ATOM 440 N SER A 36 -7.972 1.707 -34.760 1.00 0.00 N ATOM 441 CA SER A 36 -6.636 1.948 -35.248 1.00 0.00 C ATOM 442 C SER A 36 -5.973 0.655 -35.720 1.00 0.00 C ATOM 443 O SER A 36 -5.461 0.574 -36.838 1.00 0.00 O ATOM 444 CB SER A 36 -5.811 2.580 -34.150 1.00 0.00 C ATOM 445 OG SER A 36 -6.516 3.655 -33.542 1.00 0.00 O ATOM 0 H SER A 36 -8.064 1.762 -33.746 1.00 0.00 H new ATOM 0 HA SER A 36 -6.697 2.622 -36.103 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.563 1.831 -33.398 1.00 0.00 H new ATOM 0 HB3 SER A 36 -4.869 2.943 -34.560 1.00 0.00 H new ATOM 0 HG SER A 36 -6.942 3.342 -32.717 1.00 0.00 H new ATOM 451 N CYS A 37 -6.009 -0.352 -34.876 1.00 0.00 N ATOM 452 CA CYS A 37 -5.378 -1.627 -35.168 1.00 0.00 C ATOM 453 C CYS A 37 -6.409 -2.739 -35.142 1.00 0.00 C ATOM 454 O CYS A 37 -6.108 -3.885 -34.828 1.00 0.00 O ATOM 455 CB CYS A 37 -4.245 -1.891 -34.172 1.00 0.00 C ATOM 456 SG CYS A 37 -4.643 -1.459 -32.466 1.00 0.00 S ATOM 0 H CYS A 37 -6.474 -0.314 -33.969 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.947 -1.595 -36.169 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.978 -2.947 -34.215 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.365 -1.327 -34.482 1.00 0.00 H new ATOM 461 N LYS A 38 -7.637 -2.377 -35.523 1.00 0.00 N ATOM 462 CA LYS A 38 -8.772 -3.306 -35.575 1.00 0.00 C ATOM 463 C LYS A 38 -8.397 -4.522 -36.413 1.00 0.00 C ATOM 464 O LYS A 38 -8.841 -5.641 -36.156 1.00 0.00 O ATOM 465 CB LYS A 38 -9.979 -2.592 -36.198 1.00 0.00 C ATOM 466 CG LYS A 38 -11.338 -3.040 -35.671 1.00 0.00 C ATOM 467 CD LYS A 38 -11.576 -2.559 -34.246 1.00 0.00 C ATOM 468 CE LYS A 38 -13.048 -2.657 -33.858 1.00 0.00 C ATOM 469 NZ LYS A 38 -13.608 -4.008 -34.100 1.00 0.00 N ATOM 0 H LYS A 38 -7.874 -1.426 -35.806 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.027 -3.635 -34.567 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.876 -1.520 -36.027 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.956 -2.747 -37.277 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.125 -2.656 -36.321 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.400 -4.128 -35.703 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.977 -3.153 -33.556 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.242 -1.526 -34.150 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.161 -2.404 -32.804 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.620 -1.923 -34.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.559 -4.069 -33.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.667 -4.181 -35.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.992 -4.723 -33.663 1.00 0.00 H new ATOM 483 N TYR A 39 -7.597 -4.273 -37.430 1.00 0.00 N ATOM 484 CA TYR A 39 -7.066 -5.316 -38.282 1.00 0.00 C ATOM 485 C TYR A 39 -5.565 -5.404 -38.068 1.00 0.00 C ATOM 486 O TYR A 39 -5.006 -6.484 -37.893 1.00 0.00 O ATOM 487 CB TYR A 39 -7.362 -4.998 -39.750 1.00 0.00 C ATOM 488 CG TYR A 39 -6.907 -6.069 -40.724 1.00 0.00 C ATOM 489 CD1 TYR A 39 -7.797 -7.014 -41.210 1.00 0.00 C ATOM 490 CD2 TYR A 39 -5.587 -6.132 -41.154 1.00 0.00 C ATOM 491 CE1 TYR A 39 -7.387 -7.991 -42.094 1.00 0.00 C ATOM 492 CE2 TYR A 39 -5.170 -7.105 -42.038 1.00 0.00 C ATOM 493 CZ TYR A 39 -6.074 -8.030 -42.503 1.00 0.00 C ATOM 494 OH TYR A 39 -5.663 -9.005 -43.380 1.00 0.00 O ATOM 0 H TYR A 39 -7.295 -3.334 -37.690 1.00 0.00 H new ATOM 0 HA TYR A 39 -7.534 -6.268 -38.031 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -8.435 -4.848 -39.868 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.878 -4.057 -40.011 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.829 -6.985 -40.891 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.875 -5.406 -40.789 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -8.093 -8.721 -42.463 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -4.141 -7.140 -42.363 1.00 0.00 H new ATOM 0 HH TYR A 39 -6.059 -8.840 -44.261 1.00 0.00 H new ATOM 504 N GLY A 40 -4.928 -4.247 -38.088 1.00 0.00 N ATOM 505 CA GLY A 40 -3.501 -4.163 -37.901 1.00 0.00 C ATOM 506 C GLY A 40 -2.973 -2.827 -38.360 1.00 0.00 C ATOM 507 O GLY A 40 -2.930 -1.869 -37.590 1.00 0.00 O ATOM 0 H GLY A 40 -5.387 -3.348 -38.234 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.259 -4.311 -36.849 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.010 -4.962 -38.456 1.00 0.00 H new ATOM 511 N ALA A 41 -2.609 -2.752 -39.624 1.00 0.00 N ATOM 512 CA ALA A 41 -2.099 -1.523 -40.204 1.00 0.00 C ATOM 513 C ALA A 41 -3.239 -0.568 -40.538 1.00 0.00 C ATOM 514 O ALA A 41 -3.034 0.636 -40.685 1.00 0.00 O ATOM 515 CB ALA A 41 -1.283 -1.834 -41.448 1.00 0.00 C ATOM 0 H ALA A 41 -2.657 -3.535 -40.276 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.454 -1.036 -39.472 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.904 -0.906 -41.876 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.446 -2.479 -41.182 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.913 -2.341 -42.179 1.00 0.00 H new ATOM 521 N GLY A 42 -4.437 -1.110 -40.659 1.00 0.00 N ATOM 522 CA GLY A 42 -5.591 -0.293 -40.964 1.00 0.00 C ATOM 523 C GLY A 42 -6.376 -0.839 -42.132 1.00 0.00 C ATOM 524 O GLY A 42 -5.944 -0.734 -43.281 1.00 0.00 O ATOM 0 H GLY A 42 -4.633 -2.105 -40.551 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.237 -0.236 -40.088 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.267 0.723 -41.188 1.00 0.00 H new ATOM 528 N CYS A 43 -7.522 -1.423 -41.844 1.00 0.00 N ATOM 529 CA CYS A 43 -8.356 -2.009 -42.875 1.00 0.00 C ATOM 530 C CYS A 43 -9.758 -1.441 -42.850 1.00 0.00 C ATOM 531 O CYS A 43 -10.098 -0.624 -41.987 1.00 0.00 O ATOM 532 CB CYS A 43 -8.412 -3.518 -42.723 1.00 0.00 C ATOM 533 SG CYS A 43 -7.609 -4.406 -44.066 1.00 0.00 S ATOM 0 H CYS A 43 -7.899 -1.505 -40.900 1.00 0.00 H new ATOM 0 HA CYS A 43 -7.905 -1.760 -43.836 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -7.941 -3.798 -41.781 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.455 -3.831 -42.664 1.00 0.00 H new ATOM 538 N THR A 44 -10.565 -1.886 -43.790 1.00 0.00 N ATOM 539 CA THR A 44 -11.930 -1.441 -43.912 1.00 0.00 C ATOM 540 C THR A 44 -12.871 -2.419 -43.222 1.00 0.00 C ATOM 541 O THR A 44 -12.490 -3.554 -42.916 1.00 0.00 O ATOM 542 CB THR A 44 -12.325 -1.329 -45.395 1.00 0.00 C ATOM 543 OG1 THR A 44 -12.100 -2.588 -46.048 1.00 0.00 O ATOM 544 CG2 THR A 44 -11.517 -0.243 -46.087 1.00 0.00 C ATOM 0 H THR A 44 -10.287 -2.571 -44.493 1.00 0.00 H new ATOM 0 HA THR A 44 -12.011 -0.463 -43.438 1.00 0.00 H new ATOM 0 HB THR A 44 -13.381 -1.066 -45.455 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.353 -2.517 -46.992 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.813 -0.181 -47.134 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.703 0.715 -45.600 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.456 -0.483 -46.023 1.00 0.00 H new ATOM 552 N ASP A 45 -14.092 -1.990 -42.984 1.00 0.00 N ATOM 553 CA ASP A 45 -15.081 -2.844 -42.352 1.00 0.00 C ATOM 554 C ASP A 45 -15.718 -3.775 -43.375 1.00 0.00 C ATOM 555 O ASP A 45 -16.283 -4.808 -43.018 1.00 0.00 O ATOM 556 CB ASP A 45 -16.156 -2.015 -41.637 1.00 0.00 C ATOM 557 CG ASP A 45 -15.626 -1.293 -40.410 1.00 0.00 C ATOM 558 OD1 ASP A 45 -15.442 -1.946 -39.363 1.00 0.00 O ATOM 559 OD2 ASP A 45 -15.398 -0.060 -40.487 1.00 0.00 O ATOM 0 H ASP A 45 -14.426 -1.055 -43.218 1.00 0.00 H new ATOM 0 HA ASP A 45 -14.570 -3.448 -41.603 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -16.567 -1.284 -42.333 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.976 -2.670 -41.341 1.00 0.00 H new ATOM 564 N VAL A 46 -15.611 -3.412 -44.655 1.00 0.00 N ATOM 565 CA VAL A 46 -16.158 -4.236 -45.740 1.00 0.00 C ATOM 566 C VAL A 46 -15.305 -5.486 -45.921 1.00 0.00 C ATOM 567 O VAL A 46 -15.770 -6.521 -46.396 1.00 0.00 O ATOM 568 CB VAL A 46 -16.199 -3.472 -47.083 1.00 0.00 C ATOM 569 CG1 VAL A 46 -17.093 -4.194 -48.086 1.00 0.00 C ATOM 570 CG2 VAL A 46 -16.662 -2.043 -46.880 1.00 0.00 C ATOM 0 H VAL A 46 -15.152 -2.556 -44.967 1.00 0.00 H new ATOM 0 HA VAL A 46 -17.178 -4.501 -45.460 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.187 -3.443 -47.487 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -17.108 -3.640 -49.025 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.705 -5.197 -48.263 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.106 -4.262 -47.688 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -16.682 -1.527 -47.840 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -17.662 -2.043 -46.447 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -15.975 -1.530 -46.207 1.00 0.00 H new ATOM 580 N CYS A 47 -14.060 -5.372 -45.541 1.00 0.00 N ATOM 581 CA CYS A 47 -13.135 -6.471 -45.618 1.00 0.00 C ATOM 582 C CYS A 47 -13.362 -7.423 -44.443 1.00 0.00 C ATOM 583 O CYS A 47 -13.202 -8.637 -44.565 1.00 0.00 O ATOM 584 CB CYS A 47 -11.707 -5.929 -45.613 1.00 0.00 C ATOM 585 SG CYS A 47 -10.435 -7.179 -45.764 1.00 0.00 S ATOM 0 H CYS A 47 -13.658 -4.512 -45.168 1.00 0.00 H new ATOM 0 HA CYS A 47 -13.296 -7.027 -46.542 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -11.599 -5.219 -46.433 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -11.546 -5.375 -44.688 1.00 0.00 H new ATOM 590 N LYS A 48 -13.764 -6.859 -43.304 1.00 0.00 N ATOM 591 CA LYS A 48 -14.041 -7.637 -42.103 1.00 0.00 C ATOM 592 C LYS A 48 -15.383 -8.348 -42.175 1.00 0.00 C ATOM 593 O LYS A 48 -15.820 -8.966 -41.202 1.00 0.00 O ATOM 594 CB LYS A 48 -13.996 -6.735 -40.891 1.00 0.00 C ATOM 595 CG LYS A 48 -12.619 -6.206 -40.626 1.00 0.00 C ATOM 596 CD LYS A 48 -12.613 -5.158 -39.544 1.00 0.00 C ATOM 597 CE LYS A 48 -11.220 -4.963 -39.016 1.00 0.00 C ATOM 598 NZ LYS A 48 -10.869 -6.008 -38.020 1.00 0.00 N ATOM 0 H LYS A 48 -13.905 -5.855 -43.191 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.272 -8.406 -42.022 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.682 -5.900 -41.037 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.345 -7.286 -40.018 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.965 -7.028 -40.337 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.211 -5.782 -41.543 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.995 -4.216 -39.938 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.278 -5.458 -38.734 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.509 -4.991 -39.841 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.137 -3.978 -38.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.874 -5.898 -37.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.480 -5.910 -37.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.007 -6.949 -38.441 1.00 0.00 H new ATOM 612 N GLN A 49 -16.034 -8.255 -43.311 1.00 0.00 N ATOM 613 CA GLN A 49 -17.305 -8.922 -43.512 1.00 0.00 C ATOM 614 C GLN A 49 -17.107 -10.422 -43.589 1.00 0.00 C ATOM 615 O GLN A 49 -16.007 -10.905 -43.861 1.00 0.00 O ATOM 616 CB GLN A 49 -17.973 -8.448 -44.797 1.00 0.00 C ATOM 617 CG GLN A 49 -18.302 -6.979 -44.824 1.00 0.00 C ATOM 618 CD GLN A 49 -19.005 -6.576 -46.112 1.00 0.00 C ATOM 619 OE1 GLN A 49 -18.805 -7.169 -47.153 1.00 0.00 O ATOM 620 NE2 GLN A 49 -19.841 -5.559 -46.030 1.00 0.00 N ATOM 0 H GLN A 49 -15.705 -7.722 -44.116 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.944 -8.676 -42.664 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.318 -8.676 -45.638 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -18.891 -9.016 -44.945 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.937 -6.734 -43.973 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.385 -6.400 -44.715 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.983 -5.086 -45.138 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.346 -5.246 -46.859 1.00 0.00 H new ATOM 629 N THR A 50 -18.160 -11.152 -43.346 1.00 0.00 N ATOM 630 CA THR A 50 -18.129 -12.584 -43.450 1.00 0.00 C ATOM 631 C THR A 50 -19.488 -13.099 -43.904 1.00 0.00 C ATOM 632 O THR A 50 -20.457 -13.073 -43.141 1.00 0.00 O ATOM 633 CB THR A 50 -17.735 -13.250 -42.127 1.00 0.00 C ATOM 634 OG1 THR A 50 -16.465 -12.731 -41.691 1.00 0.00 O ATOM 635 CG2 THR A 50 -17.632 -14.755 -42.312 1.00 0.00 C ATOM 0 H THR A 50 -19.065 -10.770 -43.070 1.00 0.00 H new ATOM 0 HA THR A 50 -17.369 -12.843 -44.187 1.00 0.00 H new ATOM 0 HB THR A 50 -18.497 -13.035 -41.377 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.212 -13.154 -40.844 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.352 -15.219 -41.367 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.595 -15.148 -42.638 1.00 0.00 H new ATOM 0 HG23 THR A 50 -16.876 -14.978 -43.064 1.00 0.00 H new ATOM 643 N PRO A 51 -19.591 -13.555 -45.165 1.00 0.00 N ATOM 644 CA PRO A 51 -18.462 -13.597 -46.109 1.00 0.00 C ATOM 645 C PRO A 51 -18.003 -12.200 -46.515 1.00 0.00 C ATOM 646 O PRO A 51 -18.768 -11.233 -46.425 1.00 0.00 O ATOM 647 CB PRO A 51 -19.023 -14.340 -47.329 1.00 0.00 C ATOM 648 CG PRO A 51 -20.319 -14.926 -46.875 1.00 0.00 C ATOM 649 CD PRO A 51 -20.815 -14.045 -45.769 1.00 0.00 C ATOM 0 HA PRO A 51 -17.590 -14.080 -45.668 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -19.172 -13.661 -48.168 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -18.337 -15.117 -47.665 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -21.037 -14.963 -47.694 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -20.182 -15.949 -46.525 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -21.432 -13.230 -46.148 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -21.424 -14.599 -45.054 1.00 0.00 H new ATOM 657 N CYS A 52 -16.760 -12.097 -46.948 1.00 0.00 N ATOM 658 CA CYS A 52 -16.193 -10.821 -47.331 1.00 0.00 C ATOM 659 C CYS A 52 -16.908 -10.249 -48.544 1.00 0.00 C ATOM 660 O CYS A 52 -17.235 -10.975 -49.488 1.00 0.00 O ATOM 661 CB CYS A 52 -14.709 -10.954 -47.627 1.00 0.00 C ATOM 662 SG CYS A 52 -13.891 -9.371 -47.897 1.00 0.00 S ATOM 0 H CYS A 52 -16.122 -12.887 -47.043 1.00 0.00 H new ATOM 0 HA CYS A 52 -16.325 -10.138 -46.492 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -14.225 -11.468 -46.797 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -14.576 -11.579 -48.510 1.00 0.00 H new ATOM 667 N GLY A 53 -17.138 -8.956 -48.523 1.00 0.00 N ATOM 668 CA GLY A 53 -17.828 -8.313 -49.613 1.00 0.00 C ATOM 669 C GLY A 53 -17.089 -7.110 -50.098 1.00 0.00 C ATOM 670 O GLY A 53 -17.671 -6.228 -50.736 1.00 0.00 O ATOM 0 H GLY A 53 -16.858 -8.333 -47.766 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -17.952 -9.020 -50.433 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -18.827 -8.021 -49.290 1.00 0.00 H new ATOM 674 N CYS A 54 -15.801 -7.069 -49.807 1.00 0.00 N ATOM 675 CA CYS A 54 -14.977 -5.951 -50.191 1.00 0.00 C ATOM 676 C CYS A 54 -14.883 -5.838 -51.698 1.00 0.00 C ATOM 677 O CYS A 54 -15.057 -4.766 -52.246 1.00 0.00 O ATOM 678 CB CYS A 54 -13.590 -6.063 -49.579 1.00 0.00 C ATOM 679 SG CYS A 54 -12.624 -4.552 -49.717 1.00 0.00 S ATOM 0 H CYS A 54 -15.306 -7.805 -49.303 1.00 0.00 H new ATOM 0 HA CYS A 54 -15.448 -5.045 -49.810 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -13.686 -6.329 -48.526 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -13.051 -6.876 -50.066 1.00 0.00 H new ATOM 684 N ALA A 55 -14.648 -6.960 -52.369 1.00 0.00 N ATOM 685 CA ALA A 55 -14.532 -6.963 -53.823 1.00 0.00 C ATOM 686 C ALA A 55 -15.848 -6.546 -54.463 1.00 0.00 C ATOM 687 O ALA A 55 -15.869 -5.881 -55.499 1.00 0.00 O ATOM 688 CB ALA A 55 -14.103 -8.336 -54.322 1.00 0.00 C ATOM 0 H ALA A 55 -14.535 -7.875 -51.932 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.767 -6.241 -54.110 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.022 -8.319 -55.409 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.136 -8.594 -53.890 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.843 -9.079 -54.025 1.00 0.00 H new ATOM 694 N THR A 56 -16.940 -6.924 -53.824 1.00 0.00 N ATOM 695 CA THR A 56 -18.271 -6.597 -54.296 1.00 0.00 C ATOM 696 C THR A 56 -18.537 -5.085 -54.194 1.00 0.00 C ATOM 697 O THR A 56 -19.139 -4.482 -55.089 1.00 0.00 O ATOM 698 CB THR A 56 -19.314 -7.360 -53.471 1.00 0.00 C ATOM 699 OG1 THR A 56 -18.929 -8.737 -53.385 1.00 0.00 O ATOM 700 CG2 THR A 56 -20.688 -7.262 -54.104 1.00 0.00 C ATOM 0 H THR A 56 -16.928 -7.468 -52.961 1.00 0.00 H new ATOM 0 HA THR A 56 -18.344 -6.889 -55.344 1.00 0.00 H new ATOM 0 HB THR A 56 -19.361 -6.917 -52.476 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.592 -9.230 -52.857 1.00 0.00 H new ATOM 0 HG21 THR A 56 -21.408 -7.812 -53.498 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.988 -6.216 -54.163 1.00 0.00 H new ATOM 0 HG23 THR A 56 -20.658 -7.688 -55.107 1.00 0.00 H new ATOM 708 N SER A 57 -18.070 -4.485 -53.111 1.00 0.00 N ATOM 709 CA SER A 57 -18.239 -3.058 -52.884 1.00 0.00 C ATOM 710 C SER A 57 -17.063 -2.284 -53.471 1.00 0.00 C ATOM 711 O SER A 57 -16.987 -1.061 -53.351 1.00 0.00 O ATOM 712 CB SER A 57 -18.348 -2.784 -51.377 1.00 0.00 C ATOM 713 OG SER A 57 -18.505 -1.397 -51.103 1.00 0.00 O ATOM 0 H SER A 57 -17.566 -4.970 -52.368 1.00 0.00 H new ATOM 0 HA SER A 57 -19.153 -2.728 -53.377 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.196 -3.334 -50.968 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.455 -3.155 -50.874 1.00 0.00 H new ATOM 0 HG SER A 57 -18.160 -0.874 -51.857 1.00 0.00 H new ATOM 719 N GLY A 58 -16.157 -3.000 -54.101 1.00 0.00 N ATOM 720 CA GLY A 58 -14.979 -2.383 -54.648 1.00 0.00 C ATOM 721 C GLY A 58 -13.838 -2.479 -53.671 1.00 0.00 C ATOM 722 O GLY A 58 -13.836 -1.787 -52.646 1.00 0.00 O ATOM 0 H GLY A 58 -16.218 -4.008 -54.244 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.707 -2.870 -55.585 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -15.182 -1.337 -54.879 1.00 0.00 H new ATOM 726 N CYS A 59 -12.888 -3.362 -53.966 1.00 0.00 N ATOM 727 CA CYS A 59 -11.744 -3.595 -53.096 1.00 0.00 C ATOM 728 C CYS A 59 -11.042 -2.286 -52.764 1.00 0.00 C ATOM 729 O CYS A 59 -10.603 -1.554 -53.661 1.00 0.00 O ATOM 730 CB CYS A 59 -10.777 -4.565 -53.757 1.00 0.00 C ATOM 731 SG CYS A 59 -9.385 -5.043 -52.722 1.00 0.00 S ATOM 0 H CYS A 59 -12.891 -3.933 -54.811 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.101 -4.033 -52.164 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.323 -5.462 -54.048 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.396 -4.113 -54.672 1.00 0.00 H new ATOM 736 N ASN A 60 -10.947 -1.989 -51.482 1.00 0.00 N ATOM 737 CA ASN A 60 -10.362 -0.737 -51.040 1.00 0.00 C ATOM 738 C ASN A 60 -8.921 -0.914 -50.589 1.00 0.00 C ATOM 739 O ASN A 60 -8.057 -0.096 -50.915 1.00 0.00 O ATOM 740 CB ASN A 60 -11.191 -0.136 -49.908 1.00 0.00 C ATOM 741 CG ASN A 60 -10.759 1.277 -49.550 1.00 0.00 C ATOM 742 OD1 ASN A 60 -11.262 2.250 -50.114 1.00 0.00 O ATOM 743 ND2 ASN A 60 -9.840 1.402 -48.611 1.00 0.00 N ATOM 0 H ASN A 60 -11.267 -2.597 -50.728 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.364 -0.057 -51.892 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -12.242 -0.128 -50.198 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.108 -0.771 -49.026 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.522 2.329 -48.329 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.448 0.571 -48.168 1.00 0.00 H new ATOM 750 N CYS A 61 -8.658 -1.984 -49.852 1.00 0.00 N ATOM 751 CA CYS A 61 -7.328 -2.222 -49.316 1.00 0.00 C ATOM 752 C CYS A 61 -6.377 -2.737 -50.394 1.00 0.00 C ATOM 753 O CYS A 61 -6.743 -2.845 -51.570 1.00 0.00 O ATOM 754 CB CYS A 61 -7.387 -3.186 -48.126 1.00 0.00 C ATOM 755 SG CYS A 61 -8.196 -4.753 -48.474 1.00 0.00 S ATOM 0 H CYS A 61 -9.346 -2.698 -49.613 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.935 -1.269 -48.962 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.371 -3.384 -47.785 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.910 -2.697 -47.304 1.00 0.00 H new ATOM 760 N THR A 62 -5.161 -3.036 -49.999 1.00 0.00 N ATOM 761 CA THR A 62 -4.155 -3.486 -50.931 1.00 0.00 C ATOM 762 C THR A 62 -4.145 -5.001 -51.066 1.00 0.00 C ATOM 763 O THR A 62 -4.713 -5.716 -50.245 1.00 0.00 O ATOM 764 CB THR A 62 -2.760 -3.006 -50.507 1.00 0.00 C ATOM 765 OG1 THR A 62 -2.513 -3.382 -49.148 1.00 0.00 O ATOM 766 CG2 THR A 62 -2.643 -1.499 -50.648 1.00 0.00 C ATOM 0 H THR A 62 -4.844 -2.975 -49.031 1.00 0.00 H new ATOM 0 HA THR A 62 -4.409 -3.054 -51.899 1.00 0.00 H new ATOM 0 HB THR A 62 -2.021 -3.474 -51.157 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.621 -3.076 -48.881 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.646 -1.181 -50.342 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.811 -1.217 -51.687 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.388 -1.016 -50.016 1.00 0.00 H new ATOM 774 N ASP A 63 -3.471 -5.482 -52.098 1.00 0.00 N ATOM 775 CA ASP A 63 -3.357 -6.911 -52.358 1.00 0.00 C ATOM 776 C ASP A 63 -2.311 -7.531 -51.415 1.00 0.00 C ATOM 777 O ASP A 63 -2.006 -8.713 -51.481 1.00 0.00 O ATOM 778 CB ASP A 63 -2.999 -7.139 -53.838 1.00 0.00 C ATOM 779 CG ASP A 63 -3.141 -8.577 -54.286 1.00 0.00 C ATOM 780 OD1 ASP A 63 -4.285 -9.008 -54.558 1.00 0.00 O ATOM 781 OD2 ASP A 63 -2.119 -9.269 -54.409 1.00 0.00 O ATOM 0 H ASP A 63 -2.988 -4.896 -52.779 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.310 -7.402 -52.164 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.638 -6.510 -54.458 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.972 -6.815 -54.008 1.00 0.00 H new ATOM 786 N ASP A 64 -1.778 -6.690 -50.525 1.00 0.00 N ATOM 787 CA ASP A 64 -0.819 -7.112 -49.499 1.00 0.00 C ATOM 788 C ASP A 64 -1.557 -7.841 -48.384 1.00 0.00 C ATOM 789 O ASP A 64 -0.958 -8.516 -47.544 1.00 0.00 O ATOM 790 CB ASP A 64 -0.085 -5.878 -48.936 1.00 0.00 C ATOM 791 CG ASP A 64 0.823 -6.183 -47.752 1.00 0.00 C ATOM 792 OD1 ASP A 64 1.784 -6.962 -47.912 1.00 0.00 O ATOM 793 OD2 ASP A 64 0.597 -5.609 -46.661 1.00 0.00 O ATOM 0 H ASP A 64 -1.999 -5.695 -50.495 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.085 -7.787 -49.939 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.510 -5.428 -49.731 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.824 -5.136 -48.632 1.00 0.00 H new ATOM 798 N CYS A 65 -2.865 -7.698 -48.398 1.00 0.00 N ATOM 799 CA CYS A 65 -3.719 -8.316 -47.418 1.00 0.00 C ATOM 800 C CYS A 65 -3.759 -9.833 -47.636 1.00 0.00 C ATOM 801 O CYS A 65 -3.871 -10.298 -48.769 1.00 0.00 O ATOM 802 CB CYS A 65 -5.124 -7.730 -47.540 1.00 0.00 C ATOM 803 SG CYS A 65 -6.126 -7.900 -46.058 1.00 0.00 S ATOM 0 H CYS A 65 -3.364 -7.146 -49.095 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.329 -8.121 -46.419 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.044 -6.672 -47.791 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.637 -8.216 -48.370 1.00 0.00 H new ATOM 808 N LYS A 66 -3.663 -10.600 -46.549 1.00 0.00 N ATOM 809 CA LYS A 66 -3.694 -12.065 -46.633 1.00 0.00 C ATOM 810 C LYS A 66 -5.088 -12.575 -46.949 1.00 0.00 C ATOM 811 O LYS A 66 -5.289 -13.780 -47.137 1.00 0.00 O ATOM 812 CB LYS A 66 -3.216 -12.712 -45.333 1.00 0.00 C ATOM 813 CG LYS A 66 -1.741 -12.536 -45.042 1.00 0.00 C ATOM 814 CD LYS A 66 -1.305 -13.399 -43.859 1.00 0.00 C ATOM 815 CE LYS A 66 -2.025 -13.016 -42.576 1.00 0.00 C ATOM 816 NZ LYS A 66 -1.790 -11.598 -42.209 1.00 0.00 N ATOM 0 H LYS A 66 -3.563 -10.235 -45.602 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.018 -12.341 -47.442 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.788 -12.295 -44.504 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.440 -13.778 -45.370 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.159 -12.803 -45.924 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.532 -11.488 -44.827 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.500 -14.447 -44.084 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.229 -13.299 -43.714 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.095 -13.187 -42.696 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.688 -13.661 -41.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.122 -11.431 -41.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.773 -11.388 -42.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.310 -10.979 -42.864 1.00 0.00 H new ATOM 830 N CYS A 67 -6.051 -11.674 -46.989 1.00 0.00 N ATOM 831 CA CYS A 67 -7.408 -12.048 -47.275 1.00 0.00 C ATOM 832 C CYS A 67 -7.549 -12.421 -48.746 1.00 0.00 C ATOM 833 O CYS A 67 -7.600 -11.559 -49.618 1.00 0.00 O ATOM 834 CB CYS A 67 -8.367 -10.921 -46.907 1.00 0.00 C ATOM 835 SG CYS A 67 -10.100 -11.416 -46.911 1.00 0.00 S ATOM 0 H CYS A 67 -5.910 -10.677 -46.825 1.00 0.00 H new ATOM 0 HA CYS A 67 -7.665 -12.918 -46.670 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.108 -10.544 -45.918 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.232 -10.097 -47.608 1.00 0.00 H new ATOM 840 N GLN A 68 -7.607 -13.716 -49.009 1.00 0.00 N ATOM 841 CA GLN A 68 -7.685 -14.238 -50.370 1.00 0.00 C ATOM 842 C GLN A 68 -9.093 -14.096 -50.960 1.00 0.00 C ATOM 843 O GLN A 68 -9.351 -14.546 -52.080 1.00 0.00 O ATOM 844 CB GLN A 68 -7.272 -15.714 -50.390 1.00 0.00 C ATOM 845 CG GLN A 68 -5.843 -15.979 -49.941 1.00 0.00 C ATOM 846 CD GLN A 68 -5.541 -17.464 -49.808 1.00 0.00 C ATOM 847 OE1 GLN A 68 -6.128 -18.299 -50.501 1.00 0.00 O ATOM 848 NE2 GLN A 68 -4.628 -17.803 -48.921 1.00 0.00 N ATOM 0 H GLN A 68 -7.602 -14.437 -48.288 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.002 -13.650 -50.983 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.950 -16.276 -49.748 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.398 -16.099 -51.402 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.152 -15.534 -50.657 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.670 -15.489 -48.983 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.164 -17.084 -48.366 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.385 -18.785 -48.789 1.00 0.00 H new ATOM 857 N SER A 69 -9.995 -13.478 -50.212 1.00 0.00 N ATOM 858 CA SER A 69 -11.363 -13.322 -50.659 1.00 0.00 C ATOM 859 C SER A 69 -11.512 -12.172 -51.667 1.00 0.00 C ATOM 860 O SER A 69 -12.072 -12.356 -52.746 1.00 0.00 O ATOM 861 CB SER A 69 -12.282 -13.109 -49.456 1.00 0.00 C ATOM 862 OG SER A 69 -12.114 -14.154 -48.501 1.00 0.00 O ATOM 0 H SER A 69 -9.800 -13.078 -49.294 1.00 0.00 H new ATOM 0 HA SER A 69 -11.653 -14.237 -51.175 1.00 0.00 H new ATOM 0 HB2 SER A 69 -12.064 -12.147 -48.992 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.320 -13.076 -49.787 1.00 0.00 H new ATOM 0 HG SER A 69 -12.709 -13.999 -47.738 1.00 0.00 H new ATOM 868 N CYS A 70 -10.998 -10.998 -51.326 1.00 0.00 N ATOM 869 CA CYS A 70 -11.147 -9.826 -52.189 1.00 0.00 C ATOM 870 C CYS A 70 -9.904 -9.564 -53.043 1.00 0.00 C ATOM 871 O CYS A 70 -9.984 -8.881 -54.066 1.00 0.00 O ATOM 872 CB CYS A 70 -11.452 -8.606 -51.342 1.00 0.00 C ATOM 873 SG CYS A 70 -10.233 -8.307 -50.060 1.00 0.00 S ATOM 0 H CYS A 70 -10.477 -10.829 -50.465 1.00 0.00 H new ATOM 0 HA CYS A 70 -11.972 -10.028 -52.872 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -11.512 -7.730 -51.988 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -12.432 -8.729 -50.880 1.00 0.00 H new ATOM 878 N SER A 71 -8.768 -10.105 -52.624 1.00 0.00 N ATOM 879 CA SER A 71 -7.506 -9.898 -53.332 1.00 0.00 C ATOM 880 C SER A 71 -7.506 -10.566 -54.713 1.00 0.00 C ATOM 881 O SER A 71 -8.436 -11.312 -55.064 1.00 0.00 O ATOM 882 CB SER A 71 -6.345 -10.420 -52.489 1.00 0.00 C ATOM 883 OG SER A 71 -6.594 -11.744 -52.055 1.00 0.00 O ATOM 0 H SER A 71 -8.692 -10.693 -51.794 1.00 0.00 H new ATOM 0 HA SER A 71 -7.386 -8.826 -53.491 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.424 -10.391 -53.072 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.196 -9.771 -51.626 1.00 0.00 H new ATOM 0 HG SER A 71 -6.611 -11.769 -51.075 1.00 0.00 H new ATOM 889 N THR A 72 -6.463 -10.304 -55.484 1.00 0.00 N ATOM 890 CA THR A 72 -6.342 -10.854 -56.815 1.00 0.00 C ATOM 891 C THR A 72 -5.814 -12.287 -56.771 1.00 0.00 C ATOM 892 O THR A 72 -5.010 -12.641 -55.896 1.00 0.00 O ATOM 893 CB THR A 72 -5.425 -9.984 -57.705 1.00 0.00 C ATOM 894 OG1 THR A 72 -4.170 -9.758 -57.053 1.00 0.00 O ATOM 895 CG2 THR A 72 -6.079 -8.649 -58.014 1.00 0.00 C ATOM 0 H THR A 72 -5.684 -9.708 -55.203 1.00 0.00 H new ATOM 0 HA THR A 72 -7.341 -10.860 -57.252 1.00 0.00 H new ATOM 0 HB THR A 72 -5.258 -10.520 -58.640 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.298 -9.141 -56.303 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.415 -8.055 -58.641 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.019 -8.817 -58.539 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.273 -8.115 -57.084 1.00 0.00 H new ATOM 903 N ALA A 73 -6.272 -13.100 -57.704 1.00 0.00 N ATOM 904 CA ALA A 73 -5.881 -14.494 -57.778 1.00 0.00 C ATOM 905 C ALA A 73 -4.612 -14.654 -58.605 1.00 0.00 C ATOM 906 O ALA A 73 -4.329 -13.837 -59.485 1.00 0.00 O ATOM 907 CB ALA A 73 -7.010 -15.314 -58.378 1.00 0.00 C ATOM 0 H ALA A 73 -6.926 -12.812 -58.432 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.677 -14.854 -56.770 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.711 -16.361 -58.431 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.898 -15.222 -57.753 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.232 -14.949 -59.381 1.00 0.00 H new ATOM 913 N CYS A 74 -3.856 -15.703 -58.321 1.00 0.00 N ATOM 914 CA CYS A 74 -2.615 -15.968 -59.035 1.00 0.00 C ATOM 915 C CYS A 74 -2.900 -16.654 -60.369 1.00 0.00 C ATOM 916 O CYS A 74 -4.015 -17.120 -60.612 1.00 0.00 O ATOM 917 CB CYS A 74 -1.688 -16.835 -58.187 1.00 0.00 C ATOM 918 SG CYS A 74 0.058 -16.382 -58.314 1.00 0.00 S ATOM 0 H CYS A 74 -4.080 -16.387 -57.599 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.123 -15.016 -59.231 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.996 -16.766 -57.144 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.806 -17.876 -58.486 1.00 0.00 H new ATOM 923 N LYS A 75 -1.887 -16.730 -61.220 1.00 0.00 N ATOM 924 CA LYS A 75 -2.042 -17.314 -62.549 1.00 0.00 C ATOM 925 C LYS A 75 -1.359 -18.673 -62.666 1.00 0.00 C ATOM 926 O LYS A 75 -1.273 -19.236 -63.757 1.00 0.00 O ATOM 927 CB LYS A 75 -1.490 -16.368 -63.617 1.00 0.00 C ATOM 928 CG LYS A 75 -2.244 -15.054 -63.734 1.00 0.00 C ATOM 929 CD LYS A 75 -3.697 -15.285 -64.113 1.00 0.00 C ATOM 930 CE LYS A 75 -4.428 -13.970 -64.316 1.00 0.00 C ATOM 931 NZ LYS A 75 -5.854 -14.182 -64.664 1.00 0.00 N ATOM 0 H LYS A 75 -0.946 -16.394 -61.015 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.110 -17.463 -62.707 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.445 -16.156 -63.393 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.513 -16.874 -64.582 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.194 -14.517 -62.787 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.766 -14.423 -64.483 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.747 -15.877 -65.027 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.192 -15.862 -63.332 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.360 -13.372 -63.407 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.941 -13.402 -65.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -6.320 -13.261 -64.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.918 -14.731 -65.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.325 -14.702 -63.897 1.00 0.00 H new ATOM 945 N CYS A 76 -0.871 -19.195 -61.562 1.00 0.00 N ATOM 946 CA CYS A 76 -0.211 -20.488 -61.580 1.00 0.00 C ATOM 947 C CYS A 76 -1.209 -21.636 -61.623 1.00 0.00 C ATOM 948 O CYS A 76 -2.420 -21.436 -61.480 1.00 0.00 O ATOM 949 CB CYS A 76 0.706 -20.639 -60.385 1.00 0.00 C ATOM 950 SG CYS A 76 2.127 -19.556 -60.430 1.00 0.00 S ATOM 0 H CYS A 76 -0.917 -18.750 -60.645 1.00 0.00 H new ATOM 0 HA CYS A 76 0.384 -20.531 -62.492 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.139 -20.442 -59.475 1.00 0.00 H new ATOM 0 HB3 CYS A 76 1.049 -21.672 -60.329 1.00 0.00 H new ATOM 955 N ALA A 77 -0.685 -22.836 -61.811 1.00 0.00 N ATOM 956 CA ALA A 77 -1.496 -24.032 -61.898 1.00 0.00 C ATOM 957 C ALA A 77 -0.810 -25.177 -61.183 1.00 0.00 C ATOM 958 O ALA A 77 0.326 -25.031 -60.710 1.00 0.00 O ATOM 959 CB ALA A 77 -1.730 -24.400 -63.353 1.00 0.00 C ATOM 0 H ALA A 77 0.316 -23.005 -61.907 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.457 -23.839 -61.422 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.341 -25.301 -63.407 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.245 -23.582 -63.857 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.772 -24.582 -63.841 1.00 0.00 H new ATOM 965 N ALA A 78 -1.483 -26.311 -61.115 1.00 0.00 N ATOM 966 CA ALA A 78 -0.941 -27.493 -60.474 1.00 0.00 C ATOM 967 C ALA A 78 0.265 -28.015 -61.244 1.00 0.00 C ATOM 968 O ALA A 78 0.124 -28.721 -62.247 1.00 0.00 O ATOM 969 CB ALA A 78 -2.010 -28.570 -60.354 1.00 0.00 C ATOM 0 H ALA A 78 -2.418 -26.438 -61.502 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.613 -27.222 -59.471 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.587 -29.451 -59.871 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.841 -28.193 -59.758 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.369 -28.839 -61.348 1.00 0.00 H new ATOM 975 N GLY A 79 1.440 -27.625 -60.799 1.00 0.00 N ATOM 976 CA GLY A 79 2.659 -28.062 -61.434 1.00 0.00 C ATOM 977 C GLY A 79 3.279 -26.976 -62.282 1.00 0.00 C ATOM 978 O GLY A 79 4.304 -27.188 -62.931 1.00 0.00 O ATOM 0 H GLY A 79 1.574 -27.006 -60.000 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.371 -28.377 -60.672 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.451 -28.933 -62.056 1.00 0.00 H new ATOM 982 N SER A 80 2.671 -25.807 -62.270 1.00 0.00 N ATOM 983 CA SER A 80 3.167 -24.690 -63.044 1.00 0.00 C ATOM 984 C SER A 80 3.283 -23.444 -62.174 1.00 0.00 C ATOM 985 O SER A 80 2.283 -22.804 -61.856 1.00 0.00 O ATOM 986 CB SER A 80 2.252 -24.428 -64.241 1.00 0.00 C ATOM 987 OG SER A 80 2.123 -25.593 -65.042 1.00 0.00 O ATOM 0 H SER A 80 1.829 -25.607 -61.730 1.00 0.00 H new ATOM 0 HA SER A 80 4.161 -24.939 -63.415 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.270 -24.111 -63.891 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.655 -23.612 -64.841 1.00 0.00 H new ATOM 0 HG SER A 80 1.532 -25.404 -65.801 1.00 0.00 H new ATOM 993 N CYS A 81 4.503 -23.131 -61.774 1.00 0.00 N ATOM 994 CA CYS A 81 4.781 -21.966 -60.952 1.00 0.00 C ATOM 995 C CYS A 81 5.522 -20.907 -61.778 1.00 0.00 C ATOM 996 O CYS A 81 6.621 -21.156 -62.288 1.00 0.00 O ATOM 997 CB CYS A 81 5.611 -22.386 -59.727 1.00 0.00 C ATOM 998 SG CYS A 81 6.073 -21.042 -58.613 1.00 0.00 S ATOM 0 H CYS A 81 5.330 -23.679 -62.010 1.00 0.00 H new ATOM 0 HA CYS A 81 3.843 -21.532 -60.605 1.00 0.00 H new ATOM 0 HB2 CYS A 81 5.045 -23.127 -59.162 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.520 -22.877 -60.075 1.00 0.00 H new ATOM 1003 N LYS A 82 4.911 -19.741 -61.921 1.00 0.00 N ATOM 1004 CA LYS A 82 5.483 -18.659 -62.727 1.00 0.00 C ATOM 1005 C LYS A 82 6.368 -17.746 -61.899 1.00 0.00 C ATOM 1006 O LYS A 82 7.571 -17.632 -62.151 1.00 0.00 O ATOM 1007 CB LYS A 82 4.375 -17.821 -63.386 1.00 0.00 C ATOM 1008 CG LYS A 82 3.801 -18.397 -64.673 1.00 0.00 C ATOM 1009 CD LYS A 82 3.153 -19.749 -64.458 1.00 0.00 C ATOM 1010 CE LYS A 82 2.408 -20.204 -65.702 1.00 0.00 C ATOM 1011 NZ LYS A 82 3.287 -20.256 -66.897 1.00 0.00 N ATOM 0 H LYS A 82 4.015 -19.514 -61.490 1.00 0.00 H new ATOM 0 HA LYS A 82 6.093 -19.131 -63.498 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.563 -17.695 -62.670 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.771 -16.827 -63.597 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.065 -17.705 -65.082 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.596 -18.491 -65.413 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.915 -20.484 -64.198 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.462 -19.695 -63.616 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.979 -21.191 -65.526 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.577 -19.525 -65.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.792 -20.743 -67.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.526 -19.289 -67.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.159 -20.772 -66.664 1.00 0.00 H new ATOM 1025 N CYS A 83 5.767 -17.104 -60.916 1.00 0.00 N ATOM 1026 CA CYS A 83 6.447 -16.142 -60.061 1.00 0.00 C ATOM 1027 C CYS A 83 7.611 -16.782 -59.303 1.00 0.00 C ATOM 1028 O CYS A 83 8.611 -16.122 -59.004 1.00 0.00 O ATOM 1029 CB CYS A 83 5.448 -15.578 -59.075 1.00 0.00 C ATOM 1030 SG CYS A 83 4.629 -16.857 -58.108 1.00 0.00 S ATOM 0 H CYS A 83 4.782 -17.235 -60.684 1.00 0.00 H new ATOM 0 HA CYS A 83 6.857 -15.351 -60.688 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.958 -14.889 -58.401 1.00 0.00 H new ATOM 0 HB3 CYS A 83 4.698 -15.000 -59.614 1.00 0.00 H new ATOM 1035 N GLY A 84 7.473 -18.061 -58.995 1.00 0.00 N ATOM 1036 CA GLY A 84 8.497 -18.753 -58.251 1.00 0.00 C ATOM 1037 C GLY A 84 8.311 -18.588 -56.762 1.00 0.00 C ATOM 1038 O GLY A 84 9.229 -18.831 -55.980 1.00 0.00 O ATOM 0 H GLY A 84 6.667 -18.632 -59.249 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.479 -19.813 -58.505 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.477 -18.373 -58.540 1.00 0.00 H new ATOM 1042 N LYS A 85 7.119 -18.170 -56.365 1.00 0.00 N ATOM 1043 CA LYS A 85 6.811 -17.963 -54.959 1.00 0.00 C ATOM 1044 C LYS A 85 6.308 -19.265 -54.329 1.00 0.00 C ATOM 1045 O LYS A 85 6.144 -19.360 -53.111 1.00 0.00 O ATOM 1046 CB LYS A 85 5.778 -16.842 -54.802 1.00 0.00 C ATOM 1047 CG LYS A 85 6.206 -15.504 -55.423 1.00 0.00 C ATOM 1048 CD LYS A 85 7.345 -14.838 -54.650 1.00 0.00 C ATOM 1049 CE LYS A 85 6.869 -14.325 -53.299 1.00 0.00 C ATOM 1050 NZ LYS A 85 7.969 -13.704 -52.525 1.00 0.00 N ATOM 0 H LYS A 85 6.347 -17.967 -57.000 1.00 0.00 H new ATOM 0 HA LYS A 85 7.720 -17.663 -54.438 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.841 -17.159 -55.259 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.580 -16.691 -53.741 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.519 -15.669 -56.454 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.349 -14.831 -55.454 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.156 -15.552 -54.505 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.749 -14.011 -55.234 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.073 -13.595 -53.448 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.443 -15.149 -52.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.604 -13.367 -51.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.718 -14.407 -52.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.359 -12.901 -53.059 1.00 0.00 H new ATOM 1064 N GLY A 86 6.060 -20.259 -55.178 1.00 0.00 N ATOM 1065 CA GLY A 86 5.650 -21.568 -54.705 1.00 0.00 C ATOM 1066 C GLY A 86 4.184 -21.647 -54.334 1.00 0.00 C ATOM 1067 O GLY A 86 3.830 -22.225 -53.307 1.00 0.00 O ATOM 0 H GLY A 86 6.137 -20.179 -56.192 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.861 -22.307 -55.478 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.251 -21.836 -53.836 1.00 0.00 H new ATOM 1071 N CYS A 87 3.336 -21.083 -55.160 1.00 0.00 N ATOM 1072 CA CYS A 87 1.903 -21.101 -54.904 1.00 0.00 C ATOM 1073 C CYS A 87 1.203 -22.177 -55.732 1.00 0.00 C ATOM 1074 O CYS A 87 0.366 -22.914 -55.219 1.00 0.00 O ATOM 1075 CB CYS A 87 1.318 -19.733 -55.199 1.00 0.00 C ATOM 1076 SG CYS A 87 2.046 -18.953 -56.646 1.00 0.00 S ATOM 0 H CYS A 87 3.607 -20.603 -56.018 1.00 0.00 H new ATOM 0 HA CYS A 87 1.741 -21.343 -53.853 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.242 -19.829 -55.347 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.464 -19.087 -54.333 1.00 0.00 H new ATOM 1081 N THR A 88 1.569 -22.266 -57.016 1.00 0.00 N ATOM 1082 CA THR A 88 0.995 -23.249 -57.958 1.00 0.00 C ATOM 1083 C THR A 88 -0.544 -23.209 -57.996 1.00 0.00 C ATOM 1084 O THR A 88 -1.209 -24.244 -58.076 1.00 0.00 O ATOM 1085 CB THR A 88 1.498 -24.704 -57.698 1.00 0.00 C ATOM 1086 OG1 THR A 88 1.349 -25.072 -56.319 1.00 0.00 O ATOM 1087 CG2 THR A 88 2.954 -24.852 -58.110 1.00 0.00 C ATOM 0 H THR A 88 2.273 -21.660 -57.437 1.00 0.00 H new ATOM 0 HA THR A 88 1.359 -22.946 -58.940 1.00 0.00 H new ATOM 0 HB THR A 88 0.884 -25.372 -58.302 1.00 0.00 H new ATOM 0 HG1 THR A 88 0.651 -24.521 -55.907 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.284 -25.873 -57.920 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.056 -24.629 -59.172 1.00 0.00 H new ATOM 0 HG23 THR A 88 3.567 -24.160 -57.533 1.00 0.00 H new ATOM 1095 N GLY A 89 -1.094 -22.006 -57.951 1.00 0.00 N ATOM 1096 CA GLY A 89 -2.531 -21.840 -58.015 1.00 0.00 C ATOM 1097 C GLY A 89 -3.016 -20.826 -57.012 1.00 0.00 C ATOM 1098 O GLY A 89 -2.404 -20.661 -55.966 1.00 0.00 O ATOM 0 H GLY A 89 -0.567 -21.136 -57.871 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.817 -21.526 -59.019 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.017 -22.798 -57.830 1.00 0.00 H new ATOM 1102 N PRO A 90 -4.130 -20.133 -57.298 1.00 0.00 N ATOM 1103 CA PRO A 90 -4.674 -19.102 -56.409 1.00 0.00 C ATOM 1104 C PRO A 90 -5.169 -19.683 -55.099 1.00 0.00 C ATOM 1105 O PRO A 90 -5.207 -18.998 -54.084 1.00 0.00 O ATOM 1106 CB PRO A 90 -5.838 -18.518 -57.208 1.00 0.00 C ATOM 1107 CG PRO A 90 -6.225 -19.599 -58.148 1.00 0.00 C ATOM 1108 CD PRO A 90 -4.950 -20.297 -58.506 1.00 0.00 C ATOM 0 HA PRO A 90 -3.922 -18.364 -56.131 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.668 -18.243 -56.557 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.539 -17.616 -57.742 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.932 -20.287 -57.684 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.711 -19.192 -59.035 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.118 -21.348 -58.740 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.476 -19.848 -59.379 1.00 0.00 H new ATOM 1116 N ASP A 91 -5.529 -20.954 -55.129 1.00 0.00 N ATOM 1117 CA ASP A 91 -6.014 -21.650 -53.947 1.00 0.00 C ATOM 1118 C ASP A 91 -4.893 -21.825 -52.940 1.00 0.00 C ATOM 1119 O ASP A 91 -5.122 -21.857 -51.736 1.00 0.00 O ATOM 1120 CB ASP A 91 -6.570 -23.014 -54.330 1.00 0.00 C ATOM 1121 CG ASP A 91 -5.504 -23.939 -54.882 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -5.237 -23.883 -56.100 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -4.927 -24.717 -54.102 1.00 0.00 O ATOM 0 H ASP A 91 -5.494 -21.532 -55.969 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.807 -21.052 -53.498 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.029 -23.475 -53.455 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.357 -22.887 -55.073 1.00 0.00 H new ATOM 1128 N SER A 92 -3.683 -21.942 -53.444 1.00 0.00 N ATOM 1129 CA SER A 92 -2.525 -22.108 -52.604 1.00 0.00 C ATOM 1130 C SER A 92 -1.662 -20.857 -52.652 1.00 0.00 C ATOM 1131 O SER A 92 -0.539 -20.834 -52.145 1.00 0.00 O ATOM 1132 CB SER A 92 -1.731 -23.335 -53.044 1.00 0.00 C ATOM 1133 OG SER A 92 -2.524 -24.514 -52.948 1.00 0.00 O ATOM 0 H SER A 92 -3.479 -21.924 -54.443 1.00 0.00 H new ATOM 0 HA SER A 92 -2.848 -22.261 -51.574 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.390 -23.204 -54.071 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.841 -23.439 -52.424 1.00 0.00 H new ATOM 0 HG SER A 92 -3.285 -24.447 -53.561 1.00 0.00 H new ATOM 1139 N CYS A 93 -2.200 -19.814 -53.263 1.00 0.00 N ATOM 1140 CA CYS A 93 -1.507 -18.560 -53.359 1.00 0.00 C ATOM 1141 C CYS A 93 -1.690 -17.780 -52.083 1.00 0.00 C ATOM 1142 O CYS A 93 -2.662 -17.044 -51.915 1.00 0.00 O ATOM 1143 CB CYS A 93 -1.991 -17.746 -54.557 1.00 0.00 C ATOM 1144 SG CYS A 93 -1.107 -16.189 -54.803 1.00 0.00 S ATOM 0 H CYS A 93 -3.122 -19.822 -53.700 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.447 -18.764 -53.508 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.893 -18.352 -55.457 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.052 -17.532 -54.431 1.00 0.00 H new ATOM 1149 N LYS A 94 -0.781 -17.986 -51.171 1.00 0.00 N ATOM 1150 CA LYS A 94 -0.800 -17.302 -49.909 1.00 0.00 C ATOM 1151 C LYS A 94 0.216 -16.182 -49.945 1.00 0.00 C ATOM 1152 O LYS A 94 0.698 -15.712 -48.913 1.00 0.00 O ATOM 1153 CB LYS A 94 -0.497 -18.288 -48.785 1.00 0.00 C ATOM 1154 CG LYS A 94 -1.446 -19.482 -48.775 1.00 0.00 C ATOM 1155 CD LYS A 94 -1.119 -20.489 -47.678 1.00 0.00 C ATOM 1156 CE LYS A 94 -1.598 -20.028 -46.295 1.00 0.00 C ATOM 1157 NZ LYS A 94 -0.767 -18.936 -45.728 1.00 0.00 N ATOM 0 H LYS A 94 -0.003 -18.636 -51.283 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.786 -16.875 -49.724 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.528 -18.645 -48.887 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.560 -17.771 -47.827 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -2.468 -19.127 -48.642 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.405 -19.981 -49.743 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.581 -21.446 -47.919 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.042 -20.653 -47.650 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.632 -19.690 -46.369 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.588 -20.877 -45.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.644 -19.088 -44.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.164 -18.932 -46.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.238 -18.023 -45.888 1.00 0.00 H new ATOM 1171 N CYS A 95 0.533 -15.764 -51.155 1.00 0.00 N ATOM 1172 CA CYS A 95 1.473 -14.701 -51.383 1.00 0.00 C ATOM 1173 C CYS A 95 0.770 -13.375 -51.382 1.00 0.00 C ATOM 1174 O CYS A 95 -0.432 -13.291 -51.651 1.00 0.00 O ATOM 1175 CB CYS A 95 2.179 -14.896 -52.717 1.00 0.00 C ATOM 1176 SG CYS A 95 3.033 -16.467 -52.866 1.00 0.00 S ATOM 0 H CYS A 95 0.139 -16.160 -52.009 1.00 0.00 H new ATOM 0 HA CYS A 95 2.210 -14.719 -50.580 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.446 -14.815 -53.520 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.897 -14.088 -52.858 1.00 0.00 H new ATOM 1181 N ASP A 96 1.508 -12.346 -51.085 1.00 0.00 N ATOM 1182 CA ASP A 96 0.969 -11.018 -51.071 1.00 0.00 C ATOM 1183 C ASP A 96 1.057 -10.391 -52.465 1.00 0.00 C ATOM 1184 O ASP A 96 1.371 -11.066 -53.452 1.00 0.00 O ATOM 1185 CB ASP A 96 1.711 -10.153 -50.040 1.00 0.00 C ATOM 1186 CG ASP A 96 3.162 -9.935 -50.397 1.00 0.00 C ATOM 1187 OD1 ASP A 96 4.004 -10.788 -50.047 1.00 0.00 O ATOM 1188 OD2 ASP A 96 3.470 -8.915 -51.042 1.00 0.00 O ATOM 0 H ASP A 96 2.498 -12.403 -50.846 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.082 -11.071 -50.785 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.213 -9.187 -49.957 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.650 -10.629 -49.061 1.00 0.00 H new ATOM 1193 N ARG A 97 0.796 -9.108 -52.520 1.00 0.00 N ATOM 1194 CA ARG A 97 0.785 -8.324 -53.759 1.00 0.00 C ATOM 1195 C ARG A 97 2.115 -8.370 -54.515 1.00 0.00 C ATOM 1196 O ARG A 97 2.162 -8.061 -55.705 1.00 0.00 O ATOM 1197 CB ARG A 97 0.496 -6.894 -53.410 1.00 0.00 C ATOM 1198 CG ARG A 97 1.521 -6.319 -52.472 1.00 0.00 C ATOM 1199 CD ARG A 97 1.181 -4.925 -52.099 1.00 0.00 C ATOM 1200 NE ARG A 97 2.111 -4.379 -51.109 1.00 0.00 N ATOM 1201 CZ ARG A 97 2.211 -3.084 -50.802 1.00 0.00 C ATOM 1202 NH1 ARG A 97 1.476 -2.183 -51.447 1.00 0.00 N ATOM 1203 NH2 ARG A 97 3.063 -2.690 -49.859 1.00 0.00 N ATOM 0 H ARG A 97 0.578 -8.554 -51.691 1.00 0.00 H new ATOM 0 HA ARG A 97 0.024 -8.756 -54.409 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.466 -6.298 -54.322 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.491 -6.826 -52.953 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.583 -6.934 -51.574 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.504 -6.343 -52.943 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.192 -4.298 -52.991 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.167 -4.894 -51.700 1.00 0.00 H new ATOM 0 HE ARG A 97 2.724 -5.032 -50.621 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.832 -2.480 -52.180 1.00 0.00 H new ATOM 0 HH12 ARG A 97 1.556 -1.194 -51.209 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.638 -3.377 -49.372 1.00 0.00 H new ATOM 0 HH22 ARG A 97 3.141 -1.701 -49.623 1.00 0.00 H new ATOM 1217 N SER A 98 3.184 -8.743 -53.830 1.00 0.00 N ATOM 1218 CA SER A 98 4.509 -8.766 -54.442 1.00 0.00 C ATOM 1219 C SER A 98 4.614 -9.873 -55.482 1.00 0.00 C ATOM 1220 O SER A 98 5.627 -9.999 -56.174 1.00 0.00 O ATOM 1221 CB SER A 98 5.596 -8.916 -53.375 1.00 0.00 C ATOM 1222 OG SER A 98 5.339 -10.030 -52.540 1.00 0.00 O ATOM 0 H SER A 98 3.164 -9.034 -52.853 1.00 0.00 H new ATOM 0 HA SER A 98 4.660 -7.814 -54.952 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.568 -9.034 -53.855 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.646 -8.009 -52.772 1.00 0.00 H new ATOM 0 HG SER A 98 6.048 -10.105 -51.868 1.00 0.00 H new ATOM 1228 N CYS A 99 3.565 -10.665 -55.585 1.00 0.00 N ATOM 1229 CA CYS A 99 3.502 -11.723 -56.550 1.00 0.00 C ATOM 1230 C CYS A 99 3.424 -11.136 -57.953 1.00 0.00 C ATOM 1231 O CYS A 99 2.584 -10.271 -58.234 1.00 0.00 O ATOM 1232 CB CYS A 99 2.291 -12.589 -56.289 1.00 0.00 C ATOM 1233 SG CYS A 99 2.520 -14.300 -56.740 1.00 0.00 S ATOM 0 H CYS A 99 2.735 -10.586 -54.997 1.00 0.00 H new ATOM 0 HA CYS A 99 4.400 -12.335 -56.466 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.037 -12.533 -55.231 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.442 -12.187 -56.843 1.00 0.00 H new ATOM 1238 N SER A 100 4.288 -11.604 -58.821 1.00 0.00 N ATOM 1239 CA SER A 100 4.371 -11.105 -60.182 1.00 0.00 C ATOM 1240 C SER A 100 3.117 -11.428 -60.989 1.00 0.00 C ATOM 1241 O SER A 100 2.763 -10.704 -61.916 1.00 0.00 O ATOM 1242 CB SER A 100 5.584 -11.719 -60.861 1.00 0.00 C ATOM 1243 OG SER A 100 6.728 -11.613 -60.033 1.00 0.00 O ATOM 0 H SER A 100 4.957 -12.344 -58.608 1.00 0.00 H new ATOM 0 HA SER A 100 4.462 -10.020 -60.139 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.389 -12.767 -61.087 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.768 -11.217 -61.811 1.00 0.00 H new ATOM 0 HG SER A 100 7.498 -12.015 -60.486 1.00 0.00 H new ATOM 1249 N CYS A 101 2.435 -12.488 -60.616 1.00 0.00 N ATOM 1250 CA CYS A 101 1.290 -12.948 -61.375 1.00 0.00 C ATOM 1251 C CYS A 101 -0.011 -12.219 -61.021 1.00 0.00 C ATOM 1252 O CYS A 101 -1.071 -12.552 -61.544 1.00 0.00 O ATOM 1253 CB CYS A 101 1.150 -14.450 -61.233 1.00 0.00 C ATOM 1254 SG CYS A 101 2.564 -15.354 -61.909 1.00 0.00 S ATOM 0 H CYS A 101 2.652 -13.049 -59.792 1.00 0.00 H new ATOM 0 HA CYS A 101 1.476 -12.704 -62.421 1.00 0.00 H new ATOM 0 HB2 CYS A 101 1.035 -14.701 -60.179 1.00 0.00 H new ATOM 0 HB3 CYS A 101 0.241 -14.775 -61.740 1.00 0.00 H new ATOM 1259 N LYS A 102 0.062 -11.228 -60.141 1.00 0.00 N ATOM 1260 CA LYS A 102 -1.121 -10.425 -59.837 1.00 0.00 C ATOM 1261 C LYS A 102 -1.390 -9.447 -60.968 1.00 0.00 C ATOM 1262 O LYS A 102 -0.600 -8.457 -61.079 1.00 0.00 O ATOM 1263 CB LYS A 102 -0.963 -9.653 -58.527 1.00 0.00 C ATOM 1264 CG LYS A 102 -0.767 -10.524 -57.307 1.00 0.00 C ATOM 1265 CD LYS A 102 -1.770 -11.667 -57.260 1.00 0.00 C ATOM 1266 CE LYS A 102 -1.636 -12.443 -55.947 1.00 0.00 C ATOM 1267 NZ LYS A 102 -2.409 -11.814 -54.841 1.00 0.00 N ATOM 0 H LYS A 102 0.906 -10.963 -59.634 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.962 -11.110 -59.728 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.111 -8.979 -58.617 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.846 -9.032 -58.377 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.245 -10.929 -57.308 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.866 -9.917 -56.407 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.782 -11.275 -57.356 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.607 -12.337 -58.104 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -1.983 -13.466 -56.094 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -0.584 -12.500 -55.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -2.170 -12.280 -53.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -2.170 -10.803 -54.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.427 -11.919 -55.026 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 200 1.637 -16.493 -55.278 1.00 0.00 CD HETATM 1283 CD CD A 201 3.959 -19.545 -58.246 1.00 0.00 CD HETATM 1284 CD CD A 202 2.266 -16.942 -59.729 1.00 0.00 CD HETATM 1285 CD CD A 203 -8.086 -6.040 -46.096 1.00 0.00 CD HETATM 1286 CD CD A 204 -11.126 -9.085 -47.671 1.00 0.00 CD HETATM 1287 CD CD A 205 -10.122 -5.653 -50.238 1.00 0.00 CD HETATM 1288 CD CD A 206 -4.860 -2.797 -28.481 1.00 0.00 CD HETATM 1289 CD CD A 207 -4.883 0.614 -30.866 1.00 0.00 CD HETATM 1290 CD CD A 208 -2.358 -2.462 -31.725 1.00 0.00 CD