USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=31 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 44 THR OG1 : rot 171:sc= 0.661 USER MOD Set 1.2: A 60 ASN : amide:sc= -0.114 K(o=0.55,f=1.1) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= 0.0424 USER MOD Set 2.2: A 14 THR OG1 : rot 88:sc= 0.0458 USER MOD Set 3.1: A 1 GLY N :NH3+ -173:sc= 0 (180deg=-0.0411) USER MOD Set 3.2: A 5 SER OG : rot 60:sc= 1.17 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 16 LYS NZ :NH3+ -155:sc= -0.124 (180deg=-0.624) USER MOD Single : A 17 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.11) USER MOD Single : A 18 THR OG1 : rot 45:sc= 0.123 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.05 K(o=-1,f=-0.0097) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0.894 (180deg=0.809) USER MOD Single : A 35 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.049) USER MOD Single : A 36 SER OG : rot 157:sc= -0.251 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 48 LYS NZ :NH3+ -127:sc= -1.44 (180deg=-3.58!) USER MOD Single : A 49 GLN : amide:sc= -2.17! C(o=-2.2!,f=-3!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -33:sc= 0.573 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 101:sc= 0.0566 USER MOD Single : A 71 SER OG : rot 28:sc= 1.1 USER MOD Single : A 72 THR OG1 : rot -78:sc= -1.38! USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= -0.0243 (180deg=-0.287) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0549) USER MOD Single : A 85 LYS NZ :NH3+ 142:sc= -0.129 (180deg=-0.833) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00815 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0442) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 174:sc= 0.967 (180deg=0.956) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.515 -13.072 -9.149 1.00 0.00 N ATOM 2 CA GLY A 1 -3.739 -12.752 -8.357 1.00 0.00 C ATOM 3 C GLY A 1 -3.412 -12.088 -7.030 1.00 0.00 C ATOM 4 O GLY A 1 -4.109 -11.166 -6.595 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.791 -13.413 -10.092 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.932 -12.217 -9.247 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.968 -13.810 -8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.384 -12.095 -8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.300 -13.668 -8.173 1.00 0.00 H new ATOM 7 N SER A 2 -2.357 -12.557 -6.388 1.00 0.00 N ATOM 8 CA SER A 2 -1.927 -12.010 -5.115 1.00 0.00 C ATOM 9 C SER A 2 -1.148 -10.720 -5.341 1.00 0.00 C ATOM 10 O SER A 2 -1.423 -9.696 -4.721 1.00 0.00 O ATOM 11 CB SER A 2 -1.071 -13.038 -4.363 1.00 0.00 C ATOM 12 OG SER A 2 -0.686 -12.569 -3.078 1.00 0.00 O ATOM 0 H SER A 2 -1.778 -13.323 -6.732 1.00 0.00 H new ATOM 0 HA SER A 2 -2.803 -11.783 -4.508 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.630 -13.968 -4.258 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.180 -13.266 -4.948 1.00 0.00 H new ATOM 0 HG SER A 2 -0.144 -13.251 -2.630 1.00 0.00 H new ATOM 18 N MET A 3 -0.190 -10.775 -6.244 1.00 0.00 N ATOM 19 CA MET A 3 0.620 -9.618 -6.574 1.00 0.00 C ATOM 20 C MET A 3 -0.041 -8.836 -7.698 1.00 0.00 C ATOM 21 O MET A 3 -0.777 -9.416 -8.503 1.00 0.00 O ATOM 22 CB MET A 3 2.024 -10.065 -7.001 1.00 0.00 C ATOM 23 CG MET A 3 2.947 -8.923 -7.403 1.00 0.00 C ATOM 24 SD MET A 3 4.524 -9.498 -8.052 1.00 0.00 S ATOM 25 CE MET A 3 5.293 -7.939 -8.478 1.00 0.00 C ATOM 0 H MET A 3 0.049 -11.617 -6.767 1.00 0.00 H new ATOM 0 HA MET A 3 0.707 -8.979 -5.695 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.483 -10.616 -6.180 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.934 -10.757 -7.839 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.452 -8.309 -8.155 1.00 0.00 H new ATOM 0 HG3 MET A 3 3.126 -8.285 -6.538 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.283 -8.124 -8.896 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.679 -7.420 -9.214 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.386 -7.323 -7.584 1.00 0.00 H new ATOM 35 N SER A 4 0.199 -7.524 -7.737 1.00 0.00 N ATOM 36 CA SER A 4 -0.333 -6.669 -8.787 1.00 0.00 C ATOM 37 C SER A 4 0.053 -7.222 -10.158 1.00 0.00 C ATOM 38 O SER A 4 1.198 -7.086 -10.595 1.00 0.00 O ATOM 39 CB SER A 4 0.205 -5.247 -8.627 1.00 0.00 C ATOM 40 OG SER A 4 0.000 -4.773 -7.306 1.00 0.00 O ATOM 0 H SER A 4 0.764 -7.032 -7.045 1.00 0.00 H new ATOM 0 HA SER A 4 -1.420 -6.647 -8.708 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.269 -5.228 -8.863 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.291 -4.584 -9.336 1.00 0.00 H new ATOM 0 HG SER A 4 0.353 -3.862 -7.227 1.00 0.00 H new ATOM 46 N SER A 5 -0.890 -7.857 -10.814 1.00 0.00 N ATOM 47 CA SER A 5 -0.630 -8.477 -12.086 1.00 0.00 C ATOM 48 C SER A 5 -1.410 -7.799 -13.196 1.00 0.00 C ATOM 49 O SER A 5 -2.620 -7.575 -13.076 1.00 0.00 O ATOM 50 CB SER A 5 -0.987 -9.963 -12.022 1.00 0.00 C ATOM 51 OG SER A 5 -0.306 -10.606 -10.948 1.00 0.00 O ATOM 0 H SER A 5 -1.849 -7.956 -10.482 1.00 0.00 H new ATOM 0 HA SER A 5 0.432 -8.370 -12.308 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.064 -10.077 -11.895 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.725 -10.445 -12.964 1.00 0.00 H new ATOM 0 HG SER A 5 -0.557 -10.182 -10.101 1.00 0.00 H new ATOM 57 N VAL A 6 -0.713 -7.456 -14.262 1.00 0.00 N ATOM 58 CA VAL A 6 -1.341 -6.860 -15.419 1.00 0.00 C ATOM 59 C VAL A 6 -1.987 -7.967 -16.245 1.00 0.00 C ATOM 60 O VAL A 6 -1.436 -9.068 -16.348 1.00 0.00 O ATOM 61 CB VAL A 6 -0.317 -6.069 -16.270 1.00 0.00 C ATOM 62 CG1 VAL A 6 0.334 -4.986 -15.424 1.00 0.00 C ATOM 63 CG2 VAL A 6 0.746 -6.992 -16.852 1.00 0.00 C ATOM 0 H VAL A 6 0.296 -7.582 -14.348 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.101 -6.151 -15.091 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.850 -5.605 -17.100 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.053 -4.434 -16.030 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.431 -4.302 -15.056 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.848 -5.444 -14.579 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.450 -6.408 -17.444 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.279 -7.490 -16.042 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.271 -7.740 -17.487 1.00 0.00 H new ATOM 73 N PHE A 7 -3.140 -7.706 -16.826 1.00 0.00 N ATOM 74 CA PHE A 7 -3.849 -8.770 -17.510 1.00 0.00 C ATOM 75 C PHE A 7 -4.494 -8.314 -18.821 1.00 0.00 C ATOM 76 O PHE A 7 -5.668 -7.939 -18.847 1.00 0.00 O ATOM 77 CB PHE A 7 -4.901 -9.370 -16.568 1.00 0.00 C ATOM 78 CG PHE A 7 -5.443 -10.693 -17.011 1.00 0.00 C ATOM 79 CD1 PHE A 7 -4.639 -11.819 -17.003 1.00 0.00 C ATOM 80 CD2 PHE A 7 -6.757 -10.817 -17.423 1.00 0.00 C ATOM 81 CE1 PHE A 7 -5.135 -13.040 -17.399 1.00 0.00 C ATOM 82 CE2 PHE A 7 -7.258 -12.037 -17.821 1.00 0.00 C ATOM 83 CZ PHE A 7 -6.446 -13.149 -17.809 1.00 0.00 C ATOM 0 H PHE A 7 -3.597 -6.794 -16.840 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.116 -9.530 -17.782 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.461 -9.484 -15.577 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.728 -8.666 -16.471 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.611 -11.739 -16.682 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.398 -9.948 -17.433 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -4.498 -13.912 -17.388 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.286 -12.121 -18.142 1.00 0.00 H new ATOM 0 HZ PHE A 7 -6.837 -14.106 -18.121 1.00 0.00 H new ATOM 93 N GLY A 8 -3.705 -8.327 -19.897 1.00 0.00 N ATOM 94 CA GLY A 8 -4.212 -8.013 -21.237 1.00 0.00 C ATOM 95 C GLY A 8 -4.527 -6.544 -21.470 1.00 0.00 C ATOM 96 O GLY A 8 -4.058 -5.945 -22.431 1.00 0.00 O ATOM 0 H GLY A 8 -2.711 -8.552 -19.868 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.475 -8.334 -21.974 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.115 -8.597 -21.415 1.00 0.00 H new ATOM 100 N ALA A 9 -5.298 -5.975 -20.586 1.00 0.00 N ATOM 101 CA ALA A 9 -5.743 -4.588 -20.700 1.00 0.00 C ATOM 102 C ALA A 9 -4.660 -3.608 -20.263 1.00 0.00 C ATOM 103 O ALA A 9 -4.893 -2.405 -20.182 1.00 0.00 O ATOM 104 CB ALA A 9 -7.012 -4.377 -19.887 1.00 0.00 C ATOM 0 H ALA A 9 -5.646 -6.453 -19.755 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.955 -4.392 -21.751 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.335 -3.340 -19.979 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.796 -5.036 -20.260 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.815 -4.604 -18.839 1.00 0.00 H new ATOM 110 N GLY A 10 -3.472 -4.128 -20.001 1.00 0.00 N ATOM 111 CA GLY A 10 -2.367 -3.292 -19.591 1.00 0.00 C ATOM 112 C GLY A 10 -1.684 -2.645 -20.767 1.00 0.00 C ATOM 113 O GLY A 10 -0.484 -2.813 -20.971 1.00 0.00 O ATOM 0 H GLY A 10 -3.253 -5.122 -20.066 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.729 -2.520 -18.912 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.645 -3.891 -19.037 1.00 0.00 H new ATOM 117 N CYS A 11 -2.444 -1.922 -21.545 1.00 0.00 N ATOM 118 CA CYS A 11 -1.932 -1.271 -22.720 1.00 0.00 C ATOM 119 C CYS A 11 -1.392 0.115 -22.382 1.00 0.00 C ATOM 120 O CYS A 11 -1.197 0.447 -21.211 1.00 0.00 O ATOM 121 CB CYS A 11 -3.029 -1.183 -23.770 1.00 0.00 C ATOM 122 SG CYS A 11 -4.573 -0.486 -23.161 1.00 0.00 S ATOM 0 H CYS A 11 -3.439 -1.768 -21.381 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.105 -1.858 -23.119 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.672 -0.577 -24.603 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.223 -2.181 -24.162 1.00 0.00 H new ATOM 127 N THR A 12 -1.152 0.916 -23.397 1.00 0.00 N ATOM 128 CA THR A 12 -0.624 2.239 -23.198 1.00 0.00 C ATOM 129 C THR A 12 -1.763 3.237 -23.046 1.00 0.00 C ATOM 130 O THR A 12 -2.841 3.058 -23.620 1.00 0.00 O ATOM 131 CB THR A 12 0.311 2.661 -24.369 1.00 0.00 C ATOM 132 OG1 THR A 12 0.814 3.985 -24.156 1.00 0.00 O ATOM 133 CG2 THR A 12 -0.420 2.606 -25.702 1.00 0.00 C ATOM 0 H THR A 12 -1.317 0.668 -24.373 1.00 0.00 H new ATOM 0 HA THR A 12 -0.029 2.231 -22.285 1.00 0.00 H new ATOM 0 HB THR A 12 1.143 1.957 -24.397 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.401 4.235 -24.900 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.258 2.906 -26.501 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.769 1.589 -25.884 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.274 3.283 -25.677 1.00 0.00 H new ATOM 141 N ASP A 13 -1.524 4.280 -22.274 1.00 0.00 N ATOM 142 CA ASP A 13 -2.527 5.303 -22.038 1.00 0.00 C ATOM 143 C ASP A 13 -2.868 6.028 -23.339 1.00 0.00 C ATOM 144 O ASP A 13 -3.937 6.610 -23.475 1.00 0.00 O ATOM 145 CB ASP A 13 -2.033 6.294 -20.981 1.00 0.00 C ATOM 146 CG ASP A 13 -3.115 7.252 -20.520 1.00 0.00 C ATOM 147 OD1 ASP A 13 -3.113 8.417 -20.970 1.00 0.00 O ATOM 148 OD2 ASP A 13 -3.961 6.844 -19.692 1.00 0.00 O ATOM 0 H ASP A 13 -0.638 4.442 -21.796 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.433 4.824 -21.667 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.653 5.742 -20.121 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.198 6.865 -21.387 1.00 0.00 H new ATOM 153 N THR A 14 -1.964 5.949 -24.306 1.00 0.00 N ATOM 154 CA THR A 14 -2.161 6.579 -25.601 1.00 0.00 C ATOM 155 C THR A 14 -3.308 5.915 -26.379 1.00 0.00 C ATOM 156 O THR A 14 -3.845 6.480 -27.340 1.00 0.00 O ATOM 157 CB THR A 14 -0.876 6.515 -26.431 1.00 0.00 C ATOM 158 OG1 THR A 14 0.244 6.840 -25.595 1.00 0.00 O ATOM 159 CG2 THR A 14 -0.943 7.499 -27.577 1.00 0.00 C ATOM 0 H THR A 14 -1.079 5.449 -24.215 1.00 0.00 H new ATOM 0 HA THR A 14 -2.423 7.621 -25.420 1.00 0.00 H new ATOM 0 HB THR A 14 -0.763 5.508 -26.833 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.570 6.028 -25.154 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.023 7.443 -28.159 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.792 7.256 -28.216 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.062 8.508 -27.183 1.00 0.00 H new ATOM 167 N CYS A 15 -3.681 4.734 -25.950 1.00 0.00 N ATOM 168 CA CYS A 15 -4.762 4.002 -26.571 1.00 0.00 C ATOM 169 C CYS A 15 -6.104 4.518 -26.074 1.00 0.00 C ATOM 170 O CYS A 15 -7.134 4.364 -26.726 1.00 0.00 O ATOM 171 CB CYS A 15 -4.622 2.534 -26.245 1.00 0.00 C ATOM 172 SG CYS A 15 -5.946 1.510 -26.899 1.00 0.00 S ATOM 0 H CYS A 15 -3.246 4.253 -25.163 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.716 4.143 -27.651 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.671 2.174 -26.638 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.586 2.415 -25.162 1.00 0.00 H new ATOM 177 N LYS A 16 -6.072 5.164 -24.926 1.00 0.00 N ATOM 178 CA LYS A 16 -7.275 5.694 -24.302 1.00 0.00 C ATOM 179 C LYS A 16 -7.682 6.994 -24.968 1.00 0.00 C ATOM 180 O LYS A 16 -8.610 7.666 -24.527 1.00 0.00 O ATOM 181 CB LYS A 16 -7.007 5.946 -22.818 1.00 0.00 C ATOM 182 CG LYS A 16 -6.233 4.825 -22.151 1.00 0.00 C ATOM 183 CD LYS A 16 -7.050 3.561 -22.060 1.00 0.00 C ATOM 184 CE LYS A 16 -7.999 3.589 -20.870 1.00 0.00 C ATOM 185 NZ LYS A 16 -7.264 3.651 -19.580 1.00 0.00 N ATOM 0 H LYS A 16 -5.217 5.338 -24.398 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.082 4.970 -24.415 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.451 6.877 -22.709 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.958 6.080 -22.302 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.320 4.629 -22.713 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.931 5.136 -21.151 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.622 3.430 -22.979 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.384 2.702 -21.974 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.661 4.451 -20.953 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.630 2.700 -20.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.857 3.254 -18.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.384 3.101 -19.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.036 4.641 -19.358 1.00 0.00 H new ATOM 199 N GLN A 17 -6.981 7.344 -26.031 1.00 0.00 N ATOM 200 CA GLN A 17 -7.219 8.588 -26.715 1.00 0.00 C ATOM 201 C GLN A 17 -8.199 8.399 -27.854 1.00 0.00 C ATOM 202 O GLN A 17 -8.414 7.283 -28.326 1.00 0.00 O ATOM 203 CB GLN A 17 -5.909 9.166 -27.256 1.00 0.00 C ATOM 204 CG GLN A 17 -4.778 9.251 -26.236 1.00 0.00 C ATOM 205 CD GLN A 17 -5.217 9.749 -24.868 1.00 0.00 C ATOM 206 OE1 GLN A 17 -5.318 10.951 -24.639 1.00 0.00 O ATOM 207 NE2 GLN A 17 -5.397 8.845 -23.943 1.00 0.00 N ATOM 0 H GLN A 17 -6.238 6.775 -26.437 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.646 9.286 -25.995 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.577 8.554 -28.095 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.103 10.165 -27.647 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.327 8.265 -26.125 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.003 9.914 -26.622 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.304 7.855 -24.172 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.630 9.128 -22.991 1.00 0.00 H new ATOM 216 N THR A 18 -8.779 9.490 -28.288 1.00 0.00 N ATOM 217 CA THR A 18 -9.726 9.479 -29.382 1.00 0.00 C ATOM 218 C THR A 18 -9.451 10.641 -30.339 1.00 0.00 C ATOM 219 O THR A 18 -9.673 11.797 -29.989 1.00 0.00 O ATOM 220 CB THR A 18 -11.179 9.572 -28.867 1.00 0.00 C ATOM 221 OG1 THR A 18 -11.271 10.579 -27.843 1.00 0.00 O ATOM 222 CG2 THR A 18 -11.650 8.232 -28.316 1.00 0.00 C ATOM 0 H THR A 18 -8.609 10.415 -27.893 1.00 0.00 H new ATOM 0 HA THR A 18 -9.604 8.534 -29.912 1.00 0.00 H new ATOM 0 HB THR A 18 -11.822 9.844 -29.704 1.00 0.00 H new ATOM 0 HG1 THR A 18 -10.786 11.381 -28.129 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.676 8.325 -27.960 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.606 7.479 -29.103 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.005 7.931 -27.490 1.00 0.00 H new ATOM 230 N PRO A 19 -8.932 10.358 -31.549 1.00 0.00 N ATOM 231 CA PRO A 19 -8.591 8.985 -31.984 1.00 0.00 C ATOM 232 C PRO A 19 -7.331 8.444 -31.288 1.00 0.00 C ATOM 233 O PRO A 19 -6.560 9.217 -30.708 1.00 0.00 O ATOM 234 CB PRO A 19 -8.335 9.152 -33.486 1.00 0.00 C ATOM 235 CG PRO A 19 -7.899 10.574 -33.643 1.00 0.00 C ATOM 236 CD PRO A 19 -8.655 11.365 -32.608 1.00 0.00 C ATOM 0 HA PRO A 19 -9.378 8.272 -31.741 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.567 8.462 -33.836 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.235 8.948 -34.066 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.823 10.669 -33.496 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.117 10.939 -34.647 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -8.065 12.198 -32.227 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.575 11.786 -33.015 1.00 0.00 H new ATOM 244 N CYS A 20 -7.142 7.111 -31.332 1.00 0.00 N ATOM 245 CA CYS A 20 -5.965 6.474 -30.737 1.00 0.00 C ATOM 246 C CYS A 20 -4.690 7.149 -31.218 1.00 0.00 C ATOM 247 O CYS A 20 -4.518 7.383 -32.415 1.00 0.00 O ATOM 248 CB CYS A 20 -5.916 4.980 -31.087 1.00 0.00 C ATOM 249 SG CYS A 20 -7.113 3.947 -30.207 1.00 0.00 S ATOM 0 H CYS A 20 -7.792 6.461 -31.774 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.041 6.581 -29.655 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.081 4.868 -32.159 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.914 4.606 -30.878 1.00 0.00 H new ATOM 254 N GLY A 21 -3.805 7.458 -30.294 1.00 0.00 N ATOM 255 CA GLY A 21 -2.577 8.136 -30.653 1.00 0.00 C ATOM 256 C GLY A 21 -1.429 7.180 -30.876 1.00 0.00 C ATOM 257 O GLY A 21 -0.272 7.586 -30.891 1.00 0.00 O ATOM 0 H GLY A 21 -3.910 7.254 -29.300 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.740 8.720 -31.559 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.311 8.840 -29.864 1.00 0.00 H new ATOM 261 N CYS A 22 -1.741 5.908 -31.034 1.00 0.00 N ATOM 262 CA CYS A 22 -0.714 4.908 -31.255 1.00 0.00 C ATOM 263 C CYS A 22 -0.257 4.873 -32.700 1.00 0.00 C ATOM 264 O CYS A 22 -0.730 4.063 -33.507 1.00 0.00 O ATOM 265 CB CYS A 22 -1.162 3.524 -30.812 1.00 0.00 C ATOM 266 SG CYS A 22 -1.150 3.292 -29.030 1.00 0.00 S ATOM 0 H CYS A 22 -2.693 5.544 -31.014 1.00 0.00 H new ATOM 0 HA CYS A 22 0.135 5.203 -30.638 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.170 3.342 -31.186 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.512 2.778 -31.270 1.00 0.00 H new ATOM 271 N GLY A 23 0.630 5.772 -33.023 1.00 0.00 N ATOM 272 CA GLY A 23 1.209 5.809 -34.343 1.00 0.00 C ATOM 273 C GLY A 23 2.501 5.027 -34.389 1.00 0.00 C ATOM 274 O GLY A 23 2.801 4.357 -35.377 1.00 0.00 O ATOM 0 H GLY A 23 0.971 6.494 -32.389 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.504 5.397 -35.065 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.395 6.843 -34.634 1.00 0.00 H new ATOM 278 N SER A 24 3.264 5.115 -33.313 1.00 0.00 N ATOM 279 CA SER A 24 4.528 4.407 -33.203 1.00 0.00 C ATOM 280 C SER A 24 4.772 3.921 -31.771 1.00 0.00 C ATOM 281 O SER A 24 5.627 3.072 -31.531 1.00 0.00 O ATOM 282 CB SER A 24 5.669 5.311 -33.666 1.00 0.00 C ATOM 283 OG SER A 24 5.507 6.628 -33.157 1.00 0.00 O ATOM 0 H SER A 24 3.027 5.676 -32.495 1.00 0.00 H new ATOM 0 HA SER A 24 4.486 3.527 -33.845 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.622 4.902 -33.331 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.698 5.338 -34.755 1.00 0.00 H new ATOM 0 HG SER A 24 6.249 7.191 -33.463 1.00 0.00 H new ATOM 289 N GLY A 25 4.009 4.457 -30.828 1.00 0.00 N ATOM 290 CA GLY A 25 4.157 4.061 -29.443 1.00 0.00 C ATOM 291 C GLY A 25 3.105 3.065 -29.017 1.00 0.00 C ATOM 292 O GLY A 25 2.558 3.160 -27.915 1.00 0.00 O ATOM 0 H GLY A 25 3.290 5.160 -30.998 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.146 3.627 -29.295 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.097 4.944 -28.806 1.00 0.00 H new ATOM 296 N CYS A 26 2.815 2.110 -29.886 1.00 0.00 N ATOM 297 CA CYS A 26 1.829 1.092 -29.597 1.00 0.00 C ATOM 298 C CYS A 26 2.418 0.039 -28.674 1.00 0.00 C ATOM 299 O CYS A 26 2.952 -0.980 -29.117 1.00 0.00 O ATOM 300 CB CYS A 26 1.341 0.449 -30.884 1.00 0.00 C ATOM 301 SG CYS A 26 -0.031 -0.698 -30.681 1.00 0.00 S ATOM 0 H CYS A 26 3.254 2.022 -30.802 1.00 0.00 H new ATOM 0 HA CYS A 26 0.980 1.560 -29.099 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.039 1.236 -31.575 1.00 0.00 H new ATOM 0 HB3 CYS A 26 2.173 -0.080 -31.348 1.00 0.00 H new ATOM 306 N ASN A 27 2.337 0.304 -27.398 1.00 0.00 N ATOM 307 CA ASN A 27 2.872 -0.592 -26.378 1.00 0.00 C ATOM 308 C ASN A 27 1.760 -1.423 -25.767 1.00 0.00 C ATOM 309 O ASN A 27 1.887 -1.938 -24.654 1.00 0.00 O ATOM 310 CB ASN A 27 3.585 0.213 -25.284 1.00 0.00 C ATOM 311 CG ASN A 27 4.818 0.951 -25.787 1.00 0.00 C ATOM 312 OD1 ASN A 27 5.148 2.029 -25.298 1.00 0.00 O ATOM 313 ND2 ASN A 27 5.513 0.376 -26.754 1.00 0.00 N ATOM 0 H ASN A 27 1.900 1.146 -27.024 1.00 0.00 H new ATOM 0 HA ASN A 27 3.591 -1.261 -26.850 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.886 0.934 -24.859 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.877 -0.461 -24.478 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.352 0.828 -27.117 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.210 -0.520 -27.137 1.00 0.00 H new ATOM 320 N CYS A 28 0.680 -1.563 -26.504 1.00 0.00 N ATOM 321 CA CYS A 28 -0.471 -2.311 -26.049 1.00 0.00 C ATOM 322 C CYS A 28 -0.180 -3.808 -26.022 1.00 0.00 C ATOM 323 O CYS A 28 0.667 -4.302 -26.777 1.00 0.00 O ATOM 324 CB CYS A 28 -1.670 -2.026 -26.954 1.00 0.00 C ATOM 325 SG CYS A 28 -2.146 -0.283 -27.017 1.00 0.00 S ATOM 0 H CYS A 28 0.575 -1.161 -27.436 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.703 -1.993 -25.032 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.439 -2.366 -27.964 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.521 -2.612 -26.608 1.00 0.00 H new ATOM 330 N LYS A 29 -0.868 -4.523 -25.131 1.00 0.00 N ATOM 331 CA LYS A 29 -0.743 -5.973 -25.054 1.00 0.00 C ATOM 332 C LYS A 29 -1.378 -6.615 -26.274 1.00 0.00 C ATOM 333 O LYS A 29 -1.999 -5.942 -27.103 1.00 0.00 O ATOM 334 CB LYS A 29 -1.430 -6.523 -23.796 1.00 0.00 C ATOM 335 CG LYS A 29 -0.524 -6.758 -22.588 1.00 0.00 C ATOM 336 CD LYS A 29 0.190 -5.503 -22.143 1.00 0.00 C ATOM 337 CE LYS A 29 0.873 -5.709 -20.801 1.00 0.00 C ATOM 338 NZ LYS A 29 1.691 -4.532 -20.407 1.00 0.00 N ATOM 0 H LYS A 29 -1.516 -4.119 -24.455 1.00 0.00 H new ATOM 0 HA LYS A 29 0.320 -6.212 -25.012 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.219 -5.830 -23.504 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.913 -7.466 -24.052 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.120 -7.145 -21.761 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.213 -7.522 -22.835 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.930 -5.217 -22.891 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.523 -4.682 -22.069 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.120 -5.900 -20.036 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.509 -6.593 -20.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.987 -4.631 -19.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.533 -4.475 -21.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.127 -3.665 -20.515 1.00 0.00 H new ATOM 352 N GLU A 30 -1.253 -7.911 -26.362 1.00 0.00 N ATOM 353 CA GLU A 30 -1.809 -8.653 -27.458 1.00 0.00 C ATOM 354 C GLU A 30 -3.301 -8.890 -27.230 1.00 0.00 C ATOM 355 O GLU A 30 -4.078 -9.039 -28.175 1.00 0.00 O ATOM 356 CB GLU A 30 -1.076 -9.975 -27.593 1.00 0.00 C ATOM 357 CG GLU A 30 -1.595 -10.847 -28.696 1.00 0.00 C ATOM 358 CD GLU A 30 -0.867 -12.152 -28.779 1.00 0.00 C ATOM 359 OE1 GLU A 30 -1.232 -13.090 -28.039 1.00 0.00 O ATOM 360 OE2 GLU A 30 0.069 -12.262 -29.604 1.00 0.00 O ATOM 0 H GLU A 30 -0.762 -8.482 -25.674 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.690 -8.083 -28.380 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.018 -9.777 -27.767 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.148 -10.517 -26.650 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.657 -11.035 -28.538 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.502 -10.321 -29.646 1.00 0.00 H new ATOM 367 N ASP A 31 -3.693 -8.881 -25.965 1.00 0.00 N ATOM 368 CA ASP A 31 -5.083 -9.133 -25.573 1.00 0.00 C ATOM 369 C ASP A 31 -5.920 -7.853 -25.675 1.00 0.00 C ATOM 370 O ASP A 31 -6.995 -7.754 -25.090 1.00 0.00 O ATOM 371 CB ASP A 31 -5.123 -9.655 -24.134 1.00 0.00 C ATOM 372 CG ASP A 31 -6.352 -10.491 -23.844 1.00 0.00 C ATOM 373 OD1 ASP A 31 -6.454 -11.611 -24.386 1.00 0.00 O ATOM 374 OD2 ASP A 31 -7.209 -10.049 -23.051 1.00 0.00 O ATOM 0 H ASP A 31 -3.066 -8.701 -25.181 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.503 -9.877 -26.250 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.231 -10.252 -23.945 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.094 -8.810 -23.446 1.00 0.00 H new ATOM 379 N CYS A 32 -5.425 -6.889 -26.429 1.00 0.00 N ATOM 380 CA CYS A 32 -6.096 -5.607 -26.571 1.00 0.00 C ATOM 381 C CYS A 32 -7.321 -5.721 -27.496 1.00 0.00 C ATOM 382 O CYS A 32 -8.377 -5.150 -27.208 1.00 0.00 O ATOM 383 CB CYS A 32 -5.110 -4.563 -27.098 1.00 0.00 C ATOM 384 SG CYS A 32 -5.652 -2.850 -26.907 1.00 0.00 S ATOM 0 H CYS A 32 -4.555 -6.969 -26.956 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.455 -5.291 -25.591 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.158 -4.689 -26.582 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.927 -4.756 -28.155 1.00 0.00 H new ATOM 389 N ARG A 33 -7.159 -6.460 -28.613 1.00 0.00 N ATOM 390 CA ARG A 33 -8.248 -6.700 -29.594 1.00 0.00 C ATOM 391 C ARG A 33 -8.684 -5.378 -30.301 1.00 0.00 C ATOM 392 O ARG A 33 -9.679 -5.346 -31.023 1.00 0.00 O ATOM 393 CB ARG A 33 -9.463 -7.394 -28.901 1.00 0.00 C ATOM 394 CG ARG A 33 -10.533 -7.957 -29.853 1.00 0.00 C ATOM 395 CD ARG A 33 -10.191 -9.362 -30.399 1.00 0.00 C ATOM 396 NE ARG A 33 -11.071 -9.706 -31.520 1.00 0.00 N ATOM 397 CZ ARG A 33 -10.888 -10.731 -32.347 1.00 0.00 C ATOM 398 NH1 ARG A 33 -9.913 -11.605 -32.127 1.00 0.00 N ATOM 399 NH2 ARG A 33 -11.697 -10.888 -33.388 1.00 0.00 N ATOM 0 H ARG A 33 -6.277 -6.907 -28.863 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.864 -7.368 -30.365 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.089 -8.208 -28.280 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.937 -6.675 -28.233 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.488 -8.002 -29.329 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -10.661 -7.271 -30.690 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.151 -9.389 -30.724 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.296 -10.102 -29.606 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.886 -9.114 -31.678 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.299 -11.492 -31.320 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.778 -12.389 -32.765 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.454 -10.224 -33.550 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.561 -11.672 -34.026 1.00 0.00 H new ATOM 413 N CYS A 34 -7.900 -4.311 -30.123 1.00 0.00 N ATOM 414 CA CYS A 34 -8.225 -3.003 -30.710 1.00 0.00 C ATOM 415 C CYS A 34 -7.719 -2.943 -32.145 1.00 0.00 C ATOM 416 O CYS A 34 -6.517 -2.916 -32.377 1.00 0.00 O ATOM 417 CB CYS A 34 -7.576 -1.871 -29.886 1.00 0.00 C ATOM 418 SG CYS A 34 -8.564 -0.346 -29.736 1.00 0.00 S ATOM 0 H CYS A 34 -7.037 -4.324 -29.579 1.00 0.00 H new ATOM 0 HA CYS A 34 -9.307 -2.873 -30.700 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.367 -2.248 -28.885 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.617 -1.619 -30.339 1.00 0.00 H new ATOM 423 N GLN A 35 -8.641 -2.921 -33.109 1.00 0.00 N ATOM 424 CA GLN A 35 -8.274 -2.883 -34.532 1.00 0.00 C ATOM 425 C GLN A 35 -7.363 -1.701 -34.842 1.00 0.00 C ATOM 426 O GLN A 35 -6.461 -1.807 -35.666 1.00 0.00 O ATOM 427 CB GLN A 35 -9.525 -2.814 -35.418 1.00 0.00 C ATOM 428 CG GLN A 35 -10.324 -4.110 -35.485 1.00 0.00 C ATOM 429 CD GLN A 35 -9.605 -5.218 -36.248 1.00 0.00 C ATOM 430 OE1 GLN A 35 -9.760 -5.365 -37.457 1.00 0.00 O ATOM 431 NE2 GLN A 35 -8.820 -6.006 -35.530 1.00 0.00 N ATOM 0 H GLN A 35 -9.646 -2.929 -32.934 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.733 -3.804 -34.749 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.174 -2.021 -35.047 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.225 -2.534 -36.428 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.535 -4.453 -34.472 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.284 -3.913 -35.961 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.719 -5.849 -34.527 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.316 -6.770 -35.980 1.00 0.00 H new ATOM 440 N SER A 36 -7.576 -0.602 -34.127 1.00 0.00 N ATOM 441 CA SER A 36 -6.847 0.642 -34.353 1.00 0.00 C ATOM 442 C SER A 36 -5.336 0.463 -34.296 1.00 0.00 C ATOM 443 O SER A 36 -4.604 1.079 -35.070 1.00 0.00 O ATOM 444 CB SER A 36 -7.299 1.687 -33.351 1.00 0.00 C ATOM 445 OG SER A 36 -7.493 1.104 -32.078 1.00 0.00 O ATOM 0 H SER A 36 -8.260 -0.548 -33.373 1.00 0.00 H new ATOM 0 HA SER A 36 -7.078 0.975 -35.365 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.555 2.480 -33.284 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.226 2.148 -33.691 1.00 0.00 H new ATOM 0 HG SER A 36 -7.416 1.794 -31.387 1.00 0.00 H new ATOM 451 N CYS A 37 -4.869 -0.363 -33.391 1.00 0.00 N ATOM 452 CA CYS A 37 -3.453 -0.597 -33.282 1.00 0.00 C ATOM 453 C CYS A 37 -3.107 -2.061 -33.556 1.00 0.00 C ATOM 454 O CYS A 37 -1.970 -2.485 -33.358 1.00 0.00 O ATOM 455 CB CYS A 37 -2.927 -0.132 -31.916 1.00 0.00 C ATOM 456 SG CYS A 37 -4.202 0.484 -30.782 1.00 0.00 S ATOM 0 H CYS A 37 -5.444 -0.879 -32.726 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.953 -0.004 -34.047 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.408 -0.964 -31.440 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.190 0.655 -32.075 1.00 0.00 H new ATOM 461 N LYS A 38 -4.093 -2.830 -34.046 1.00 0.00 N ATOM 462 CA LYS A 38 -3.859 -4.220 -34.391 1.00 0.00 C ATOM 463 C LYS A 38 -3.358 -4.341 -35.818 1.00 0.00 C ATOM 464 O LYS A 38 -2.698 -5.314 -36.171 1.00 0.00 O ATOM 465 CB LYS A 38 -5.095 -5.080 -34.177 1.00 0.00 C ATOM 466 CG LYS A 38 -5.186 -5.654 -32.773 1.00 0.00 C ATOM 467 CD LYS A 38 -6.059 -6.896 -32.718 1.00 0.00 C ATOM 468 CE LYS A 38 -5.413 -8.066 -33.446 1.00 0.00 C ATOM 469 NZ LYS A 38 -6.139 -9.336 -33.208 1.00 0.00 N ATOM 0 H LYS A 38 -5.047 -2.506 -34.207 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.088 -4.594 -33.718 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.985 -4.483 -34.377 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.091 -5.898 -34.898 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.185 -5.899 -32.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.589 -4.898 -32.098 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.240 -7.169 -31.678 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.030 -6.680 -33.165 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.387 -7.858 -34.516 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.379 -8.172 -33.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.667 -10.107 -33.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.142 -9.549 -32.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.118 -9.244 -33.545 1.00 0.00 H new ATOM 483 N TYR A 39 -3.698 -3.365 -36.650 1.00 0.00 N ATOM 484 CA TYR A 39 -3.162 -3.327 -37.998 1.00 0.00 C ATOM 485 C TYR A 39 -1.958 -2.406 -38.059 1.00 0.00 C ATOM 486 O TYR A 39 -1.856 -1.448 -37.286 1.00 0.00 O ATOM 487 CB TYR A 39 -4.218 -2.960 -39.069 1.00 0.00 C ATOM 488 CG TYR A 39 -5.129 -1.788 -38.750 1.00 0.00 C ATOM 489 CD1 TYR A 39 -4.621 -0.525 -38.466 1.00 0.00 C ATOM 490 CD2 TYR A 39 -6.506 -1.951 -38.759 1.00 0.00 C ATOM 491 CE1 TYR A 39 -5.463 0.537 -38.197 1.00 0.00 C ATOM 492 CE2 TYR A 39 -7.352 -0.897 -38.491 1.00 0.00 C ATOM 493 CZ TYR A 39 -6.828 0.344 -38.210 1.00 0.00 C ATOM 494 OH TYR A 39 -7.675 1.399 -37.939 1.00 0.00 O ATOM 0 H TYR A 39 -4.333 -2.601 -36.417 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.843 -4.340 -38.242 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -3.697 -2.743 -40.001 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -4.840 -3.837 -39.249 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.552 -0.372 -38.456 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.923 -2.922 -38.980 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.054 1.512 -37.978 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.422 -1.044 -38.501 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.605 1.094 -37.990 1.00 0.00 H new ATOM 504 N GLY A 40 -1.050 -2.696 -38.964 1.00 0.00 N ATOM 505 CA GLY A 40 0.172 -1.922 -39.053 1.00 0.00 C ATOM 506 C GLY A 40 0.480 -1.500 -40.453 1.00 0.00 C ATOM 507 O GLY A 40 1.029 -0.426 -40.682 1.00 0.00 O ATOM 0 H GLY A 40 -1.131 -3.453 -39.643 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.086 -1.038 -38.421 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.002 -2.512 -38.664 1.00 0.00 H new ATOM 511 N ALA A 41 0.117 -2.336 -41.394 1.00 0.00 N ATOM 512 CA ALA A 41 0.360 -2.067 -42.791 1.00 0.00 C ATOM 513 C ALA A 41 -0.776 -1.245 -43.385 1.00 0.00 C ATOM 514 O ALA A 41 -0.875 -1.091 -44.601 1.00 0.00 O ATOM 515 CB ALA A 41 0.530 -3.372 -43.537 1.00 0.00 C ATOM 0 H ALA A 41 -0.355 -3.222 -41.214 1.00 0.00 H new ATOM 0 HA ALA A 41 1.277 -1.485 -42.888 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.713 -3.167 -44.592 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.375 -3.921 -43.122 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.376 -3.970 -43.436 1.00 0.00 H new ATOM 521 N GLY A 42 -1.626 -0.713 -42.511 1.00 0.00 N ATOM 522 CA GLY A 42 -2.747 0.087 -42.949 1.00 0.00 C ATOM 523 C GLY A 42 -3.732 -0.715 -43.762 1.00 0.00 C ATOM 524 O GLY A 42 -4.292 -0.217 -44.738 1.00 0.00 O ATOM 0 H GLY A 42 -1.553 -0.826 -41.500 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.253 0.508 -42.080 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.384 0.925 -43.544 1.00 0.00 H new ATOM 528 N CYS A 43 -3.950 -1.953 -43.364 1.00 0.00 N ATOM 529 CA CYS A 43 -4.850 -2.807 -44.079 1.00 0.00 C ATOM 530 C CYS A 43 -6.262 -2.579 -43.550 1.00 0.00 C ATOM 531 O CYS A 43 -6.473 -2.528 -42.337 1.00 0.00 O ATOM 532 CB CYS A 43 -4.412 -4.259 -43.925 1.00 0.00 C ATOM 533 SG CYS A 43 -4.958 -5.347 -45.265 1.00 0.00 S ATOM 0 H CYS A 43 -3.512 -2.381 -42.548 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.839 -2.575 -45.144 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.324 -4.294 -43.865 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -4.796 -4.644 -42.980 1.00 0.00 H new ATOM 538 N THR A 44 -7.219 -2.460 -44.451 1.00 0.00 N ATOM 539 CA THR A 44 -8.573 -2.078 -44.085 1.00 0.00 C ATOM 540 C THR A 44 -9.322 -3.168 -43.335 1.00 0.00 C ATOM 541 O THR A 44 -9.076 -4.370 -43.527 1.00 0.00 O ATOM 542 CB THR A 44 -9.375 -1.659 -45.323 1.00 0.00 C ATOM 543 OG1 THR A 44 -9.263 -2.668 -46.330 1.00 0.00 O ATOM 544 CG2 THR A 44 -8.866 -0.332 -45.866 1.00 0.00 C ATOM 0 H THR A 44 -7.084 -2.623 -45.449 1.00 0.00 H new ATOM 0 HA THR A 44 -8.472 -1.231 -43.407 1.00 0.00 H new ATOM 0 HB THR A 44 -10.421 -1.540 -45.039 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.890 -2.475 -47.058 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.447 -0.051 -46.744 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.969 0.438 -45.101 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.816 -0.431 -46.142 1.00 0.00 H new ATOM 552 N ASP A 45 -10.246 -2.732 -42.478 1.00 0.00 N ATOM 553 CA ASP A 45 -11.088 -3.624 -41.681 1.00 0.00 C ATOM 554 C ASP A 45 -11.945 -4.492 -42.586 1.00 0.00 C ATOM 555 O ASP A 45 -12.248 -5.639 -42.263 1.00 0.00 O ATOM 556 CB ASP A 45 -12.009 -2.808 -40.759 1.00 0.00 C ATOM 557 CG ASP A 45 -11.270 -2.050 -39.669 1.00 0.00 C ATOM 558 OD1 ASP A 45 -11.258 -2.525 -38.520 1.00 0.00 O ATOM 559 OD2 ASP A 45 -10.732 -0.957 -39.953 1.00 0.00 O ATOM 0 H ASP A 45 -10.432 -1.742 -42.316 1.00 0.00 H new ATOM 0 HA ASP A 45 -10.435 -4.256 -41.080 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -12.575 -2.098 -41.362 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.731 -3.480 -40.296 1.00 0.00 H new ATOM 564 N VAL A 46 -12.305 -3.933 -43.736 1.00 0.00 N ATOM 565 CA VAL A 46 -13.168 -4.594 -44.716 1.00 0.00 C ATOM 566 C VAL A 46 -12.567 -5.918 -45.194 1.00 0.00 C ATOM 567 O VAL A 46 -13.289 -6.851 -45.553 1.00 0.00 O ATOM 568 CB VAL A 46 -13.423 -3.670 -45.939 1.00 0.00 C ATOM 569 CG1 VAL A 46 -14.531 -4.216 -46.817 1.00 0.00 C ATOM 570 CG2 VAL A 46 -13.754 -2.264 -45.476 1.00 0.00 C ATOM 0 H VAL A 46 -12.005 -3.000 -44.019 1.00 0.00 H new ATOM 0 HA VAL A 46 -14.115 -4.804 -44.219 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.511 -3.637 -46.535 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -14.686 -3.548 -47.664 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.253 -5.205 -47.181 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.452 -4.288 -46.238 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.930 -1.627 -46.343 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.649 -2.287 -44.855 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.921 -1.866 -44.897 1.00 0.00 H new ATOM 580 N CYS A 47 -11.257 -6.004 -45.173 1.00 0.00 N ATOM 581 CA CYS A 47 -10.580 -7.198 -45.619 1.00 0.00 C ATOM 582 C CYS A 47 -10.612 -8.302 -44.543 1.00 0.00 C ATOM 583 O CYS A 47 -10.625 -9.490 -44.861 1.00 0.00 O ATOM 584 CB CYS A 47 -9.145 -6.871 -46.019 1.00 0.00 C ATOM 585 SG CYS A 47 -8.224 -8.290 -46.625 1.00 0.00 S ATOM 0 H CYS A 47 -10.639 -5.259 -44.851 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.109 -7.580 -46.492 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.159 -6.101 -46.791 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.624 -6.451 -45.159 1.00 0.00 H new ATOM 590 N LYS A 48 -10.648 -7.905 -43.268 1.00 0.00 N ATOM 591 CA LYS A 48 -10.667 -8.867 -42.168 1.00 0.00 C ATOM 592 C LYS A 48 -12.059 -9.435 -41.941 1.00 0.00 C ATOM 593 O LYS A 48 -12.252 -10.311 -41.087 1.00 0.00 O ATOM 594 CB LYS A 48 -10.163 -8.223 -40.886 1.00 0.00 C ATOM 595 CG LYS A 48 -8.769 -7.665 -41.006 1.00 0.00 C ATOM 596 CD LYS A 48 -8.774 -6.156 -41.003 1.00 0.00 C ATOM 597 CE LYS A 48 -7.370 -5.596 -41.203 1.00 0.00 C ATOM 598 NZ LYS A 48 -6.768 -6.073 -42.473 1.00 0.00 N ATOM 0 H LYS A 48 -10.664 -6.928 -42.975 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.005 -9.688 -42.446 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.844 -7.422 -40.598 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.183 -8.962 -40.085 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.158 -8.029 -40.180 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.309 -8.026 -41.926 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.429 -5.791 -41.794 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.181 -5.794 -40.059 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.409 -4.507 -41.205 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.737 -5.891 -40.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.838 -6.495 -42.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.389 -6.787 -42.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.655 -5.272 -43.126 1.00 0.00 H new ATOM 612 N GLN A 49 -13.015 -8.940 -42.695 1.00 0.00 N ATOM 613 CA GLN A 49 -14.384 -9.388 -42.580 1.00 0.00 C ATOM 614 C GLN A 49 -14.538 -10.785 -43.167 1.00 0.00 C ATOM 615 O GLN A 49 -13.672 -11.261 -43.903 1.00 0.00 O ATOM 616 CB GLN A 49 -15.319 -8.409 -43.286 1.00 0.00 C ATOM 617 CG GLN A 49 -15.166 -6.975 -42.804 1.00 0.00 C ATOM 618 CD GLN A 49 -16.057 -6.006 -43.549 1.00 0.00 C ATOM 619 OE1 GLN A 49 -16.376 -6.206 -44.721 1.00 0.00 O ATOM 620 NE2 GLN A 49 -16.464 -4.948 -42.875 1.00 0.00 N ATOM 0 H GLN A 49 -12.866 -8.219 -43.401 1.00 0.00 H new ATOM 0 HA GLN A 49 -14.650 -9.427 -41.524 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -15.130 -8.446 -44.359 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.350 -8.728 -43.133 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -15.397 -6.928 -41.740 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -14.127 -6.667 -42.919 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.177 -4.820 -41.905 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -17.066 -4.258 -43.324 1.00 0.00 H new ATOM 629 N THR A 50 -15.621 -11.438 -42.832 1.00 0.00 N ATOM 630 CA THR A 50 -15.884 -12.767 -43.325 1.00 0.00 C ATOM 631 C THR A 50 -17.346 -12.894 -43.747 1.00 0.00 C ATOM 632 O THR A 50 -18.245 -12.852 -42.906 1.00 0.00 O ATOM 633 CB THR A 50 -15.555 -13.832 -42.260 1.00 0.00 C ATOM 634 OG1 THR A 50 -14.194 -13.666 -41.817 1.00 0.00 O ATOM 635 CG2 THR A 50 -15.735 -15.233 -42.824 1.00 0.00 C ATOM 0 H THR A 50 -16.342 -11.067 -42.213 1.00 0.00 H new ATOM 0 HA THR A 50 -15.242 -12.936 -44.190 1.00 0.00 H new ATOM 0 HB THR A 50 -16.238 -13.704 -41.420 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.986 -14.342 -41.139 1.00 0.00 H new ATOM 0 HG21 THR A 50 -15.497 -15.968 -42.055 1.00 0.00 H new ATOM 0 HG22 THR A 50 -16.768 -15.366 -43.146 1.00 0.00 H new ATOM 0 HG23 THR A 50 -15.069 -15.371 -43.676 1.00 0.00 H new ATOM 643 N PRO A 51 -17.605 -13.020 -45.060 1.00 0.00 N ATOM 644 CA PRO A 51 -16.560 -13.024 -46.092 1.00 0.00 C ATOM 645 C PRO A 51 -15.964 -11.634 -46.311 1.00 0.00 C ATOM 646 O PRO A 51 -16.518 -10.629 -45.846 1.00 0.00 O ATOM 647 CB PRO A 51 -17.311 -13.480 -47.344 1.00 0.00 C ATOM 648 CG PRO A 51 -18.708 -13.032 -47.116 1.00 0.00 C ATOM 649 CD PRO A 51 -18.945 -13.171 -45.640 1.00 0.00 C ATOM 0 HA PRO A 51 -15.717 -13.661 -45.823 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -16.891 -13.032 -48.245 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -17.255 -14.561 -47.470 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -18.846 -12.000 -47.439 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.412 -13.640 -47.684 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -19.630 -12.408 -45.270 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -19.382 -14.139 -45.393 1.00 0.00 H new ATOM 657 N CYS A 52 -14.838 -11.590 -47.005 1.00 0.00 N ATOM 658 CA CYS A 52 -14.145 -10.343 -47.293 1.00 0.00 C ATOM 659 C CYS A 52 -15.072 -9.343 -47.965 1.00 0.00 C ATOM 660 O CYS A 52 -15.875 -9.704 -48.835 1.00 0.00 O ATOM 661 CB CYS A 52 -12.959 -10.607 -48.193 1.00 0.00 C ATOM 662 SG CYS A 52 -11.996 -9.140 -48.580 1.00 0.00 S ATOM 0 H CYS A 52 -14.378 -12.417 -47.385 1.00 0.00 H new ATOM 0 HA CYS A 52 -13.805 -9.922 -46.347 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -12.309 -11.340 -47.715 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -13.313 -11.053 -49.123 1.00 0.00 H new ATOM 667 N GLY A 53 -14.947 -8.090 -47.588 1.00 0.00 N ATOM 668 CA GLY A 53 -15.805 -7.085 -48.132 1.00 0.00 C ATOM 669 C GLY A 53 -15.213 -6.380 -49.331 1.00 0.00 C ATOM 670 O GLY A 53 -15.885 -5.567 -49.967 1.00 0.00 O ATOM 0 H GLY A 53 -14.262 -7.753 -46.911 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.752 -7.542 -48.419 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -16.027 -6.349 -47.359 1.00 0.00 H new ATOM 674 N CYS A 54 -13.961 -6.689 -49.663 1.00 0.00 N ATOM 675 CA CYS A 54 -13.317 -6.084 -50.827 1.00 0.00 C ATOM 676 C CYS A 54 -14.004 -6.530 -52.119 1.00 0.00 C ATOM 677 O CYS A 54 -13.810 -5.947 -53.182 1.00 0.00 O ATOM 678 CB CYS A 54 -11.832 -6.431 -50.873 1.00 0.00 C ATOM 679 SG CYS A 54 -10.821 -5.523 -49.688 1.00 0.00 S ATOM 0 H CYS A 54 -13.377 -7.348 -49.148 1.00 0.00 H new ATOM 0 HA CYS A 54 -13.414 -5.002 -50.736 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -11.715 -7.499 -50.690 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -11.456 -6.237 -51.878 1.00 0.00 H new ATOM 684 N ALA A 55 -14.819 -7.568 -52.011 1.00 0.00 N ATOM 685 CA ALA A 55 -15.564 -8.082 -53.143 1.00 0.00 C ATOM 686 C ALA A 55 -16.922 -7.394 -53.244 1.00 0.00 C ATOM 687 O ALA A 55 -17.763 -7.768 -54.054 1.00 0.00 O ATOM 688 CB ALA A 55 -15.744 -9.582 -53.008 1.00 0.00 C ATOM 0 H ALA A 55 -14.980 -8.073 -51.140 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.003 -7.874 -54.054 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.305 -9.960 -53.863 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.767 -10.064 -52.973 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.290 -9.802 -52.090 1.00 0.00 H new ATOM 694 N THR A 56 -17.134 -6.403 -52.399 1.00 0.00 N ATOM 695 CA THR A 56 -18.387 -5.673 -52.385 1.00 0.00 C ATOM 696 C THR A 56 -18.151 -4.159 -52.318 1.00 0.00 C ATOM 697 O THR A 56 -18.781 -3.389 -53.038 1.00 0.00 O ATOM 698 CB THR A 56 -19.244 -6.111 -51.186 1.00 0.00 C ATOM 699 OG1 THR A 56 -19.394 -7.538 -51.209 1.00 0.00 O ATOM 700 CG2 THR A 56 -20.613 -5.456 -51.227 1.00 0.00 C ATOM 0 H THR A 56 -16.452 -6.084 -51.711 1.00 0.00 H new ATOM 0 HA THR A 56 -18.912 -5.900 -53.313 1.00 0.00 H new ATOM 0 HB THR A 56 -18.744 -5.801 -50.269 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.939 -7.822 -50.445 1.00 0.00 H new ATOM 0 HG21 THR A 56 -21.199 -5.783 -50.368 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.499 -4.372 -51.197 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.126 -5.742 -52.145 1.00 0.00 H new ATOM 708 N SER A 57 -17.231 -3.749 -51.469 1.00 0.00 N ATOM 709 CA SER A 57 -16.939 -2.343 -51.277 1.00 0.00 C ATOM 710 C SER A 57 -15.704 -1.932 -52.072 1.00 0.00 C ATOM 711 O SER A 57 -15.188 -0.824 -51.912 1.00 0.00 O ATOM 712 CB SER A 57 -16.727 -2.070 -49.785 1.00 0.00 C ATOM 713 OG SER A 57 -16.548 -0.688 -49.519 1.00 0.00 O ATOM 0 H SER A 57 -16.667 -4.377 -50.896 1.00 0.00 H new ATOM 0 HA SER A 57 -17.781 -1.753 -51.639 1.00 0.00 H new ATOM 0 HB2 SER A 57 -17.585 -2.439 -49.223 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.855 -2.623 -49.435 1.00 0.00 H new ATOM 0 HG SER A 57 -16.083 -0.268 -50.272 1.00 0.00 H new ATOM 719 N GLY A 58 -15.249 -2.817 -52.938 1.00 0.00 N ATOM 720 CA GLY A 58 -14.058 -2.549 -53.704 1.00 0.00 C ATOM 721 C GLY A 58 -12.816 -2.946 -52.945 1.00 0.00 C ATOM 722 O GLY A 58 -12.806 -2.932 -51.715 1.00 0.00 O ATOM 0 H GLY A 58 -15.686 -3.720 -53.124 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -14.100 -3.094 -54.647 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.013 -1.488 -53.950 1.00 0.00 H new ATOM 726 N CYS A 59 -11.782 -3.318 -53.663 1.00 0.00 N ATOM 727 CA CYS A 59 -10.544 -3.723 -53.038 1.00 0.00 C ATOM 728 C CYS A 59 -9.789 -2.505 -52.518 1.00 0.00 C ATOM 729 O CYS A 59 -9.787 -1.445 -53.155 1.00 0.00 O ATOM 730 CB CYS A 59 -9.688 -4.506 -54.022 1.00 0.00 C ATOM 731 SG CYS A 59 -8.251 -5.280 -53.275 1.00 0.00 S ATOM 0 H CYS A 59 -11.773 -3.349 -54.683 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.774 -4.370 -52.192 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.301 -5.276 -54.491 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.357 -3.836 -54.815 1.00 0.00 H new ATOM 736 N ASN A 60 -9.164 -2.650 -51.366 1.00 0.00 N ATOM 737 CA ASN A 60 -8.441 -1.543 -50.748 1.00 0.00 C ATOM 738 C ASN A 60 -6.937 -1.777 -50.772 1.00 0.00 C ATOM 739 O ASN A 60 -6.151 -0.843 -50.943 1.00 0.00 O ATOM 740 CB ASN A 60 -8.899 -1.343 -49.302 1.00 0.00 C ATOM 741 CG ASN A 60 -10.380 -1.016 -49.165 1.00 0.00 C ATOM 742 OD1 ASN A 60 -11.020 -1.411 -48.190 1.00 0.00 O ATOM 743 ND2 ASN A 60 -10.926 -0.281 -50.117 1.00 0.00 N ATOM 0 H ASN A 60 -9.139 -3.521 -50.835 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.663 -0.647 -51.328 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.682 -2.248 -48.734 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.316 -0.538 -48.854 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.911 -0.022 -50.060 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.363 0.027 -50.910 1.00 0.00 H new ATOM 750 N CYS A 61 -6.543 -3.013 -50.593 1.00 0.00 N ATOM 751 CA CYS A 61 -5.143 -3.378 -50.551 1.00 0.00 C ATOM 752 C CYS A 61 -4.658 -3.875 -51.921 1.00 0.00 C ATOM 753 O CYS A 61 -5.265 -3.567 -52.953 1.00 0.00 O ATOM 754 CB CYS A 61 -4.954 -4.439 -49.481 1.00 0.00 C ATOM 755 SG CYS A 61 -6.248 -5.683 -49.496 1.00 0.00 S ATOM 0 H CYS A 61 -7.183 -3.798 -50.472 1.00 0.00 H new ATOM 0 HA CYS A 61 -4.543 -2.502 -50.305 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.989 -4.924 -49.624 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.928 -3.960 -48.502 1.00 0.00 H new ATOM 760 N THR A 62 -3.553 -4.613 -51.934 1.00 0.00 N ATOM 761 CA THR A 62 -2.992 -5.125 -53.168 1.00 0.00 C ATOM 762 C THR A 62 -2.908 -6.650 -53.145 1.00 0.00 C ATOM 763 O THR A 62 -3.263 -7.291 -52.153 1.00 0.00 O ATOM 764 CB THR A 62 -1.581 -4.551 -53.408 1.00 0.00 C ATOM 765 OG1 THR A 62 -0.749 -4.826 -52.272 1.00 0.00 O ATOM 766 CG2 THR A 62 -1.637 -3.051 -53.645 1.00 0.00 C ATOM 0 H THR A 62 -3.030 -4.868 -51.096 1.00 0.00 H new ATOM 0 HA THR A 62 -3.654 -4.815 -53.976 1.00 0.00 H new ATOM 0 HB THR A 62 -1.164 -5.026 -54.296 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.148 -4.462 -52.427 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.629 -2.671 -53.812 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.252 -2.844 -54.521 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.070 -2.561 -52.773 1.00 0.00 H new ATOM 774 N ASP A 63 -2.401 -7.223 -54.234 1.00 0.00 N ATOM 775 CA ASP A 63 -2.245 -8.677 -54.365 1.00 0.00 C ATOM 776 C ASP A 63 -1.091 -9.186 -53.518 1.00 0.00 C ATOM 777 O ASP A 63 -0.757 -10.365 -53.545 1.00 0.00 O ATOM 778 CB ASP A 63 -2.015 -9.063 -55.825 1.00 0.00 C ATOM 779 CG ASP A 63 -3.257 -8.990 -56.653 1.00 0.00 C ATOM 780 OD1 ASP A 63 -3.980 -9.993 -56.720 1.00 0.00 O ATOM 781 OD2 ASP A 63 -3.509 -7.928 -57.258 1.00 0.00 O ATOM 0 H ASP A 63 -2.086 -6.698 -55.050 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.167 -9.139 -54.011 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.260 -8.404 -56.254 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.616 -10.076 -55.868 1.00 0.00 H new ATOM 786 N ASP A 64 -0.470 -8.282 -52.785 1.00 0.00 N ATOM 787 CA ASP A 64 0.617 -8.633 -51.884 1.00 0.00 C ATOM 788 C ASP A 64 0.041 -9.204 -50.601 1.00 0.00 C ATOM 789 O ASP A 64 0.765 -9.693 -49.738 1.00 0.00 O ATOM 790 CB ASP A 64 1.454 -7.400 -51.559 1.00 0.00 C ATOM 791 CG ASP A 64 2.862 -7.747 -51.131 1.00 0.00 C ATOM 792 OD1 ASP A 64 3.716 -7.949 -52.019 1.00 0.00 O ATOM 793 OD2 ASP A 64 3.129 -7.799 -49.915 1.00 0.00 O ATOM 0 H ASP A 64 -0.701 -7.289 -52.795 1.00 0.00 H new ATOM 0 HA ASP A 64 1.253 -9.374 -52.367 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.494 -6.752 -52.435 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.966 -6.834 -50.765 1.00 0.00 H new ATOM 798 N CYS A 65 -1.272 -9.125 -50.483 1.00 0.00 N ATOM 799 CA CYS A 65 -1.967 -9.625 -49.328 1.00 0.00 C ATOM 800 C CYS A 65 -2.121 -11.141 -49.429 1.00 0.00 C ATOM 801 O CYS A 65 -1.932 -11.723 -50.500 1.00 0.00 O ATOM 802 CB CYS A 65 -3.337 -8.956 -49.213 1.00 0.00 C ATOM 803 SG CYS A 65 -4.066 -9.052 -47.567 1.00 0.00 S ATOM 0 H CYS A 65 -1.880 -8.711 -51.190 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.389 -9.392 -48.434 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.243 -7.908 -49.496 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.017 -9.420 -49.928 1.00 0.00 H new ATOM 808 N LYS A 66 -2.459 -11.777 -48.323 1.00 0.00 N ATOM 809 CA LYS A 66 -2.612 -13.222 -48.302 1.00 0.00 C ATOM 810 C LYS A 66 -4.061 -13.628 -48.505 1.00 0.00 C ATOM 811 O LYS A 66 -4.375 -14.818 -48.564 1.00 0.00 O ATOM 812 CB LYS A 66 -2.093 -13.805 -46.987 1.00 0.00 C ATOM 813 CG LYS A 66 -0.619 -13.534 -46.727 1.00 0.00 C ATOM 814 CD LYS A 66 -0.135 -14.230 -45.463 1.00 0.00 C ATOM 815 CE LYS A 66 -0.892 -13.754 -44.229 1.00 0.00 C ATOM 816 NZ LYS A 66 -0.444 -14.453 -42.999 1.00 0.00 N ATOM 0 H LYS A 66 -2.633 -11.318 -47.429 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.022 -13.622 -49.126 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.678 -13.394 -46.164 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.259 -14.882 -46.989 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.030 -13.875 -47.579 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.457 -12.460 -46.636 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.258 -15.308 -45.572 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.931 -14.043 -45.330 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.750 -12.680 -44.108 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.960 -13.920 -44.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.984 -14.100 -42.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.603 -15.475 -43.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.569 -14.274 -42.847 1.00 0.00 H new ATOM 830 N CYS A 67 -4.945 -12.647 -48.612 1.00 0.00 N ATOM 831 CA CYS A 67 -6.349 -12.936 -48.784 1.00 0.00 C ATOM 832 C CYS A 67 -6.650 -13.305 -50.227 1.00 0.00 C ATOM 833 O CYS A 67 -6.483 -12.503 -51.144 1.00 0.00 O ATOM 834 CB CYS A 67 -7.219 -11.768 -48.338 1.00 0.00 C ATOM 835 SG CYS A 67 -8.966 -12.210 -48.133 1.00 0.00 S ATOM 0 H CYS A 67 -4.712 -11.654 -48.582 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.589 -13.790 -48.150 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -6.837 -11.379 -47.394 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -7.138 -10.964 -49.070 1.00 0.00 H new ATOM 840 N GLN A 68 -7.104 -14.521 -50.415 1.00 0.00 N ATOM 841 CA GLN A 68 -7.405 -15.048 -51.734 1.00 0.00 C ATOM 842 C GLN A 68 -8.793 -14.607 -52.195 1.00 0.00 C ATOM 843 O GLN A 68 -9.237 -14.960 -53.282 1.00 0.00 O ATOM 844 CB GLN A 68 -7.322 -16.571 -51.692 1.00 0.00 C ATOM 845 CG GLN A 68 -5.982 -17.086 -51.192 1.00 0.00 C ATOM 846 CD GLN A 68 -6.036 -18.536 -50.765 1.00 0.00 C ATOM 847 OE1 GLN A 68 -5.820 -19.444 -51.571 1.00 0.00 O ATOM 848 NE2 GLN A 68 -6.322 -18.767 -49.502 1.00 0.00 N ATOM 0 H GLN A 68 -7.278 -15.180 -49.656 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.678 -14.659 -52.447 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.114 -16.954 -51.048 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.505 -16.966 -52.691 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.237 -16.971 -51.979 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.654 -16.476 -50.351 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.494 -17.987 -48.867 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.372 -19.726 -49.157 1.00 0.00 H new ATOM 857 N SER A 69 -9.466 -13.829 -51.364 1.00 0.00 N ATOM 858 CA SER A 69 -10.807 -13.368 -51.660 1.00 0.00 C ATOM 859 C SER A 69 -10.802 -12.156 -52.604 1.00 0.00 C ATOM 860 O SER A 69 -11.719 -11.988 -53.415 1.00 0.00 O ATOM 861 CB SER A 69 -11.531 -13.023 -50.358 1.00 0.00 C ATOM 862 OG SER A 69 -11.534 -14.135 -49.473 1.00 0.00 O ATOM 0 H SER A 69 -9.098 -13.502 -50.470 1.00 0.00 H new ATOM 0 HA SER A 69 -11.334 -14.174 -52.171 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.044 -12.173 -49.880 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.556 -12.722 -50.575 1.00 0.00 H new ATOM 0 HG SER A 69 -10.839 -14.014 -48.793 1.00 0.00 H new ATOM 868 N CYS A 70 -9.777 -11.324 -52.505 1.00 0.00 N ATOM 869 CA CYS A 70 -9.699 -10.122 -53.327 1.00 0.00 C ATOM 870 C CYS A 70 -8.478 -10.127 -54.256 1.00 0.00 C ATOM 871 O CYS A 70 -8.218 -9.149 -54.954 1.00 0.00 O ATOM 872 CB CYS A 70 -9.689 -8.880 -52.429 1.00 0.00 C ATOM 873 SG CYS A 70 -8.504 -8.963 -51.067 1.00 0.00 S ATOM 0 H CYS A 70 -8.991 -11.456 -51.868 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.581 -10.102 -53.968 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.464 -8.005 -53.039 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -10.688 -8.734 -52.019 1.00 0.00 H new ATOM 878 N SER A 71 -7.751 -11.235 -54.288 1.00 0.00 N ATOM 879 CA SER A 71 -6.558 -11.326 -55.122 1.00 0.00 C ATOM 880 C SER A 71 -6.909 -11.751 -56.553 1.00 0.00 C ATOM 881 O SER A 71 -7.984 -12.314 -56.811 1.00 0.00 O ATOM 882 CB SER A 71 -5.542 -12.294 -54.509 1.00 0.00 C ATOM 883 OG SER A 71 -4.303 -12.263 -55.205 1.00 0.00 O ATOM 0 H SER A 71 -7.962 -12.077 -53.752 1.00 0.00 H new ATOM 0 HA SER A 71 -6.109 -10.334 -55.168 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.379 -12.036 -53.463 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.946 -13.306 -54.529 1.00 0.00 H new ATOM 0 HG SER A 71 -4.178 -11.380 -55.611 1.00 0.00 H new ATOM 889 N THR A 72 -5.998 -11.474 -57.463 1.00 0.00 N ATOM 890 CA THR A 72 -6.157 -11.777 -58.868 1.00 0.00 C ATOM 891 C THR A 72 -5.841 -13.242 -59.170 1.00 0.00 C ATOM 892 O THR A 72 -5.001 -13.874 -58.501 1.00 0.00 O ATOM 893 CB THR A 72 -5.241 -10.876 -59.712 1.00 0.00 C ATOM 894 OG1 THR A 72 -3.893 -10.971 -59.226 1.00 0.00 O ATOM 895 CG2 THR A 72 -5.691 -9.435 -59.631 1.00 0.00 C ATOM 0 H THR A 72 -5.110 -11.024 -57.241 1.00 0.00 H new ATOM 0 HA THR A 72 -7.200 -11.591 -59.125 1.00 0.00 H new ATOM 0 HB THR A 72 -5.291 -11.208 -60.749 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.800 -10.433 -58.412 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.030 -8.813 -60.235 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.711 -9.351 -60.006 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.656 -9.101 -58.594 1.00 0.00 H new ATOM 903 N ALA A 73 -6.500 -13.772 -60.182 1.00 0.00 N ATOM 904 CA ALA A 73 -6.311 -15.144 -60.588 1.00 0.00 C ATOM 905 C ALA A 73 -4.997 -15.310 -61.336 1.00 0.00 C ATOM 906 O ALA A 73 -4.515 -14.379 -61.975 1.00 0.00 O ATOM 907 CB ALA A 73 -7.474 -15.596 -61.455 1.00 0.00 C ATOM 0 H ALA A 73 -7.181 -13.261 -60.744 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.274 -15.767 -59.694 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.322 -16.632 -61.756 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.402 -15.515 -60.890 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.533 -14.965 -62.342 1.00 0.00 H new ATOM 913 N CYS A 74 -4.414 -16.486 -61.234 1.00 0.00 N ATOM 914 CA CYS A 74 -3.176 -16.776 -61.926 1.00 0.00 C ATOM 915 C CYS A 74 -3.483 -17.266 -63.347 1.00 0.00 C ATOM 916 O CYS A 74 -4.624 -17.625 -63.653 1.00 0.00 O ATOM 917 CB CYS A 74 -2.362 -17.813 -61.147 1.00 0.00 C ATOM 918 SG CYS A 74 -0.581 -17.513 -61.176 1.00 0.00 S ATOM 0 H CYS A 74 -4.779 -17.259 -60.677 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.578 -15.867 -61.995 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.702 -17.825 -60.112 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.561 -18.802 -61.559 1.00 0.00 H new ATOM 923 N LYS A 75 -2.472 -17.303 -64.198 1.00 0.00 N ATOM 924 CA LYS A 75 -2.671 -17.650 -65.607 1.00 0.00 C ATOM 925 C LYS A 75 -2.391 -19.124 -65.875 1.00 0.00 C ATOM 926 O LYS A 75 -2.423 -19.570 -67.021 1.00 0.00 O ATOM 927 CB LYS A 75 -1.783 -16.778 -66.506 1.00 0.00 C ATOM 928 CG LYS A 75 -1.985 -15.273 -66.329 1.00 0.00 C ATOM 929 CD LYS A 75 -3.386 -14.823 -66.714 1.00 0.00 C ATOM 930 CE LYS A 75 -3.650 -15.005 -68.204 1.00 0.00 C ATOM 931 NZ LYS A 75 -2.719 -14.200 -69.036 1.00 0.00 N ATOM 0 H LYS A 75 -1.505 -17.099 -63.945 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.719 -17.461 -65.841 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.739 -17.018 -66.306 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.976 -17.038 -67.547 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.793 -15.004 -65.290 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.255 -14.738 -66.937 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.120 -15.391 -66.143 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.517 -13.774 -66.447 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.550 -16.059 -68.464 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -4.677 -14.718 -68.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.090 -14.132 -70.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.629 -13.246 -68.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.785 -14.658 -69.054 1.00 0.00 H new ATOM 945 N CYS A 76 -2.111 -19.872 -64.832 1.00 0.00 N ATOM 946 CA CYS A 76 -1.851 -21.290 -64.978 1.00 0.00 C ATOM 947 C CYS A 76 -3.155 -22.075 -65.040 1.00 0.00 C ATOM 948 O CYS A 76 -4.220 -21.562 -64.673 1.00 0.00 O ATOM 949 CB CYS A 76 -0.975 -21.781 -63.841 1.00 0.00 C ATOM 950 SG CYS A 76 0.584 -20.887 -63.712 1.00 0.00 S ATOM 0 H CYS A 76 -2.057 -19.525 -63.874 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.320 -21.452 -65.916 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.521 -21.685 -62.902 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -0.768 -22.842 -63.982 1.00 0.00 H new ATOM 955 N ALA A 77 -3.072 -23.309 -65.502 1.00 0.00 N ATOM 956 CA ALA A 77 -4.248 -24.144 -65.658 1.00 0.00 C ATOM 957 C ALA A 77 -4.060 -25.479 -64.975 1.00 0.00 C ATOM 958 O ALA A 77 -2.947 -25.821 -64.558 1.00 0.00 O ATOM 959 CB ALA A 77 -4.542 -24.359 -67.128 1.00 0.00 C ATOM 0 H ALA A 77 -2.198 -23.757 -65.777 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.090 -23.633 -65.191 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.427 -24.987 -67.234 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.720 -23.397 -67.608 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.691 -24.848 -67.602 1.00 0.00 H new ATOM 965 N ALA A 78 -5.141 -26.239 -64.870 1.00 0.00 N ATOM 966 CA ALA A 78 -5.098 -27.551 -64.255 1.00 0.00 C ATOM 967 C ALA A 78 -4.230 -28.496 -65.076 1.00 0.00 C ATOM 968 O ALA A 78 -4.660 -29.031 -66.102 1.00 0.00 O ATOM 969 CB ALA A 78 -6.502 -28.115 -64.094 1.00 0.00 C ATOM 0 H ALA A 78 -6.064 -25.963 -65.207 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.656 -27.452 -63.264 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.447 -29.100 -63.631 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.091 -27.449 -63.463 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.974 -28.200 -65.073 1.00 0.00 H new ATOM 975 N GLY A 79 -3.002 -28.656 -64.646 1.00 0.00 N ATOM 976 CA GLY A 79 -2.080 -29.523 -65.336 1.00 0.00 C ATOM 977 C GLY A 79 -1.085 -28.738 -66.148 1.00 0.00 C ATOM 978 O GLY A 79 -0.236 -29.307 -66.830 1.00 0.00 O ATOM 0 H GLY A 79 -2.618 -28.196 -63.820 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.551 -30.143 -64.612 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.633 -30.197 -65.990 1.00 0.00 H new ATOM 982 N SER A 80 -1.183 -27.425 -66.077 1.00 0.00 N ATOM 983 CA SER A 80 -0.295 -26.564 -66.818 1.00 0.00 C ATOM 984 C SER A 80 0.207 -25.412 -65.955 1.00 0.00 C ATOM 985 O SER A 80 -0.434 -24.361 -65.866 1.00 0.00 O ATOM 986 CB SER A 80 -0.995 -26.024 -68.069 1.00 0.00 C ATOM 987 OG SER A 80 -1.479 -27.086 -68.880 1.00 0.00 O ATOM 0 H SER A 80 -1.874 -26.933 -65.510 1.00 0.00 H new ATOM 0 HA SER A 80 0.567 -27.157 -67.123 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.823 -25.378 -67.777 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.300 -25.411 -68.643 1.00 0.00 H new ATOM 0 HG SER A 80 -1.923 -26.717 -69.672 1.00 0.00 H new ATOM 993 N CYS A 81 1.330 -25.629 -65.296 1.00 0.00 N ATOM 994 CA CYS A 81 1.963 -24.593 -64.504 1.00 0.00 C ATOM 995 C CYS A 81 2.905 -23.813 -65.405 1.00 0.00 C ATOM 996 O CYS A 81 3.644 -24.409 -66.195 1.00 0.00 O ATOM 997 CB CYS A 81 2.725 -25.208 -63.332 1.00 0.00 C ATOM 998 SG CYS A 81 3.500 -23.998 -62.248 1.00 0.00 S ATOM 0 H CYS A 81 1.825 -26.521 -65.295 1.00 0.00 H new ATOM 0 HA CYS A 81 1.207 -23.924 -64.092 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.038 -25.819 -62.746 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.493 -25.876 -63.722 1.00 0.00 H new ATOM 1003 N LYS A 82 2.885 -22.498 -65.310 1.00 0.00 N ATOM 1004 CA LYS A 82 3.656 -21.688 -66.234 1.00 0.00 C ATOM 1005 C LYS A 82 4.754 -20.868 -65.575 1.00 0.00 C ATOM 1006 O LYS A 82 5.924 -21.044 -65.902 1.00 0.00 O ATOM 1007 CB LYS A 82 2.729 -20.812 -67.027 1.00 0.00 C ATOM 1008 CG LYS A 82 1.749 -21.610 -67.852 1.00 0.00 C ATOM 1009 CD LYS A 82 0.664 -20.735 -68.371 1.00 0.00 C ATOM 1010 CE LYS A 82 -0.360 -21.512 -69.179 1.00 0.00 C ATOM 1011 NZ LYS A 82 0.207 -22.044 -70.439 1.00 0.00 N ATOM 0 H LYS A 82 2.353 -21.974 -64.615 1.00 0.00 H new ATOM 0 HA LYS A 82 4.178 -22.378 -66.897 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.181 -20.159 -66.348 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.314 -20.169 -67.684 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.269 -22.086 -68.684 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.321 -22.408 -67.246 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.167 -20.241 -67.536 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.097 -19.952 -68.993 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -0.744 -22.337 -68.579 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.206 -20.864 -69.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.555 -22.448 -71.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.671 -21.275 -70.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.905 -22.784 -70.221 1.00 0.00 H new ATOM 1025 N CYS A 83 4.397 -19.970 -64.656 1.00 0.00 N ATOM 1026 CA CYS A 83 5.407 -19.120 -64.019 1.00 0.00 C ATOM 1027 C CYS A 83 6.402 -19.957 -63.203 1.00 0.00 C ATOM 1028 O CYS A 83 7.517 -19.510 -62.906 1.00 0.00 O ATOM 1029 CB CYS A 83 4.755 -18.037 -63.158 1.00 0.00 C ATOM 1030 SG CYS A 83 3.721 -18.669 -61.840 1.00 0.00 S ATOM 0 H CYS A 83 3.440 -19.813 -64.341 1.00 0.00 H new ATOM 0 HA CYS A 83 5.967 -18.620 -64.810 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.537 -17.414 -62.724 1.00 0.00 H new ATOM 0 HB3 CYS A 83 4.153 -17.393 -63.799 1.00 0.00 H new ATOM 1035 N GLY A 84 5.992 -21.174 -62.855 1.00 0.00 N ATOM 1036 CA GLY A 84 6.871 -22.089 -62.159 1.00 0.00 C ATOM 1037 C GLY A 84 6.992 -21.790 -60.688 1.00 0.00 C ATOM 1038 O GLY A 84 8.085 -21.839 -60.128 1.00 0.00 O ATOM 0 H GLY A 84 5.060 -21.542 -63.046 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.502 -23.106 -62.287 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.861 -22.049 -62.614 1.00 0.00 H new ATOM 1042 N LYS A 85 5.879 -21.471 -60.060 1.00 0.00 N ATOM 1043 CA LYS A 85 5.872 -21.191 -58.634 1.00 0.00 C ATOM 1044 C LYS A 85 5.154 -22.298 -57.871 1.00 0.00 C ATOM 1045 O LYS A 85 4.929 -22.194 -56.664 1.00 0.00 O ATOM 1046 CB LYS A 85 5.215 -19.841 -58.354 1.00 0.00 C ATOM 1047 CG LYS A 85 5.949 -18.649 -58.960 1.00 0.00 C ATOM 1048 CD LYS A 85 7.345 -18.476 -58.366 1.00 0.00 C ATOM 1049 CE LYS A 85 7.969 -17.171 -58.816 1.00 0.00 C ATOM 1050 NZ LYS A 85 7.115 -16.010 -58.466 1.00 0.00 N ATOM 0 H LYS A 85 4.967 -21.399 -60.512 1.00 0.00 H new ATOM 0 HA LYS A 85 6.906 -21.151 -58.291 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.195 -19.859 -58.739 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.146 -19.700 -57.275 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.028 -18.782 -60.039 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.368 -17.742 -58.792 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.286 -18.499 -57.278 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.979 -19.310 -58.669 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.949 -17.056 -58.352 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.128 -17.195 -59.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.716 -15.214 -58.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.552 -15.731 -59.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.478 -16.270 -57.686 1.00 0.00 H new ATOM 1064 N GLY A 86 4.810 -23.365 -58.582 1.00 0.00 N ATOM 1065 CA GLY A 86 4.116 -24.475 -57.964 1.00 0.00 C ATOM 1066 C GLY A 86 2.638 -24.201 -57.829 1.00 0.00 C ATOM 1067 O GLY A 86 2.033 -24.491 -56.792 1.00 0.00 O ATOM 0 H GLY A 86 5.000 -23.480 -59.577 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.267 -25.376 -58.559 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.542 -24.668 -56.980 1.00 0.00 H new ATOM 1071 N CYS A 87 2.065 -23.633 -58.869 1.00 0.00 N ATOM 1072 CA CYS A 87 0.664 -23.288 -58.884 1.00 0.00 C ATOM 1073 C CYS A 87 0.026 -23.687 -60.212 1.00 0.00 C ATOM 1074 O CYS A 87 0.514 -23.338 -61.279 1.00 0.00 O ATOM 1075 CB CYS A 87 0.508 -21.790 -58.635 1.00 0.00 C ATOM 1076 SG CYS A 87 1.728 -20.774 -59.503 1.00 0.00 S ATOM 0 H CYS A 87 2.561 -23.398 -59.729 1.00 0.00 H new ATOM 0 HA CYS A 87 0.152 -23.835 -58.092 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -0.492 -21.482 -58.942 1.00 0.00 H new ATOM 0 HB3 CYS A 87 0.586 -21.599 -57.565 1.00 0.00 H new ATOM 1081 N THR A 88 -1.050 -24.437 -60.140 1.00 0.00 N ATOM 1082 CA THR A 88 -1.750 -24.883 -61.328 1.00 0.00 C ATOM 1083 C THR A 88 -3.069 -24.142 -61.502 1.00 0.00 C ATOM 1084 O THR A 88 -4.049 -24.687 -62.016 1.00 0.00 O ATOM 1085 CB THR A 88 -1.997 -26.394 -61.272 1.00 0.00 C ATOM 1086 OG1 THR A 88 -2.345 -26.777 -59.932 1.00 0.00 O ATOM 1087 CG2 THR A 88 -0.759 -27.153 -61.720 1.00 0.00 C ATOM 0 H THR A 88 -1.464 -24.755 -59.264 1.00 0.00 H new ATOM 0 HA THR A 88 -1.119 -24.660 -62.188 1.00 0.00 H new ATOM 0 HB THR A 88 -2.818 -26.640 -61.945 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.504 -27.743 -59.899 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.953 -28.225 -61.674 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.511 -26.873 -62.744 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.076 -26.907 -61.064 1.00 0.00 H new ATOM 1095 N GLY A 89 -3.087 -22.896 -61.088 1.00 0.00 N ATOM 1096 CA GLY A 89 -4.273 -22.104 -61.220 1.00 0.00 C ATOM 1097 C GLY A 89 -4.454 -21.165 -60.060 1.00 0.00 C ATOM 1098 O GLY A 89 -3.657 -21.174 -59.131 1.00 0.00 O ATOM 0 H GLY A 89 -2.295 -22.417 -60.660 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.225 -21.531 -62.146 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.141 -22.760 -61.295 1.00 0.00 H new ATOM 1102 N PRO A 90 -5.501 -20.336 -60.092 1.00 0.00 N ATOM 1103 CA PRO A 90 -5.787 -19.362 -59.028 1.00 0.00 C ATOM 1104 C PRO A 90 -6.040 -20.010 -57.662 1.00 0.00 C ATOM 1105 O PRO A 90 -5.626 -19.477 -56.635 1.00 0.00 O ATOM 1106 CB PRO A 90 -7.054 -18.656 -59.522 1.00 0.00 C ATOM 1107 CG PRO A 90 -7.651 -19.597 -60.507 1.00 0.00 C ATOM 1108 CD PRO A 90 -6.494 -20.270 -61.175 1.00 0.00 C ATOM 0 HA PRO A 90 -4.939 -18.698 -58.863 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.741 -18.455 -58.700 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.819 -17.697 -59.983 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.295 -20.324 -60.013 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.267 -19.066 -61.232 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.758 -21.261 -61.545 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.128 -19.698 -62.028 1.00 0.00 H new ATOM 1116 N ASP A 91 -6.707 -21.160 -57.653 1.00 0.00 N ATOM 1117 CA ASP A 91 -7.026 -21.840 -56.395 1.00 0.00 C ATOM 1118 C ASP A 91 -5.774 -22.377 -55.719 1.00 0.00 C ATOM 1119 O ASP A 91 -5.628 -22.289 -54.498 1.00 0.00 O ATOM 1120 CB ASP A 91 -8.033 -22.968 -56.613 1.00 0.00 C ATOM 1121 CG ASP A 91 -8.345 -23.709 -55.331 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -9.022 -23.132 -54.459 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -7.909 -24.875 -55.187 1.00 0.00 O ATOM 0 H ASP A 91 -7.036 -21.639 -58.491 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.478 -21.098 -55.736 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.954 -22.556 -57.026 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -7.638 -23.668 -57.349 1.00 0.00 H new ATOM 1128 N SER A 92 -4.873 -22.927 -56.510 1.00 0.00 N ATOM 1129 CA SER A 92 -3.632 -23.464 -55.983 1.00 0.00 C ATOM 1130 C SER A 92 -2.547 -22.392 -55.913 1.00 0.00 C ATOM 1131 O SER A 92 -1.419 -22.663 -55.500 1.00 0.00 O ATOM 1132 CB SER A 92 -3.159 -24.641 -56.829 1.00 0.00 C ATOM 1133 OG SER A 92 -4.091 -25.709 -56.783 1.00 0.00 O ATOM 0 H SER A 92 -4.977 -23.014 -57.521 1.00 0.00 H new ATOM 0 HA SER A 92 -3.825 -23.813 -54.969 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.021 -24.319 -57.861 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.189 -24.985 -56.470 1.00 0.00 H new ATOM 0 HG SER A 92 -3.766 -26.451 -57.335 1.00 0.00 H new ATOM 1139 N CYS A 93 -2.885 -21.180 -56.317 1.00 0.00 N ATOM 1140 CA CYS A 93 -1.935 -20.095 -56.265 1.00 0.00 C ATOM 1141 C CYS A 93 -1.910 -19.482 -54.874 1.00 0.00 C ATOM 1142 O CYS A 93 -2.784 -18.697 -54.507 1.00 0.00 O ATOM 1143 CB CYS A 93 -2.247 -19.030 -57.318 1.00 0.00 C ATOM 1144 SG CYS A 93 -0.971 -17.756 -57.478 1.00 0.00 S ATOM 0 H CYS A 93 -3.804 -20.929 -56.681 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.948 -20.501 -56.487 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.382 -19.517 -58.284 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.194 -18.552 -57.067 1.00 0.00 H new ATOM 1149 N LYS A 94 -0.919 -19.878 -54.099 1.00 0.00 N ATOM 1150 CA LYS A 94 -0.731 -19.370 -52.749 1.00 0.00 C ATOM 1151 C LYS A 94 0.363 -18.318 -52.748 1.00 0.00 C ATOM 1152 O LYS A 94 0.883 -17.934 -51.694 1.00 0.00 O ATOM 1153 CB LYS A 94 -0.353 -20.511 -51.795 1.00 0.00 C ATOM 1154 CG LYS A 94 0.867 -21.315 -52.242 1.00 0.00 C ATOM 1155 CD LYS A 94 0.465 -22.655 -52.840 1.00 0.00 C ATOM 1156 CE LYS A 94 1.631 -23.335 -53.548 1.00 0.00 C ATOM 1157 NZ LYS A 94 2.807 -23.514 -52.659 1.00 0.00 N ATOM 0 H LYS A 94 -0.219 -20.562 -54.386 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.665 -18.924 -52.408 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -0.159 -20.095 -50.806 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.204 -21.185 -51.696 1.00 0.00 H new ATOM 0 HG2 LYS A 94 1.432 -20.742 -52.978 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.527 -21.479 -51.391 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.090 -23.307 -52.051 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.352 -22.507 -53.546 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.309 -24.308 -53.920 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.922 -22.742 -54.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.513 -24.112 -53.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.226 -22.586 -52.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 2.507 -23.969 -51.774 1.00 0.00 H new ATOM 1171 N CYS A 95 0.701 -17.859 -53.927 1.00 0.00 N ATOM 1172 CA CYS A 95 1.767 -16.904 -54.108 1.00 0.00 C ATOM 1173 C CYS A 95 1.244 -15.474 -54.074 1.00 0.00 C ATOM 1174 O CYS A 95 0.036 -15.244 -54.132 1.00 0.00 O ATOM 1175 CB CYS A 95 2.467 -17.187 -55.426 1.00 0.00 C ATOM 1176 SG CYS A 95 3.062 -18.894 -55.575 1.00 0.00 S ATOM 0 H CYS A 95 0.242 -18.139 -54.794 1.00 0.00 H new ATOM 0 HA CYS A 95 2.476 -17.007 -53.287 1.00 0.00 H new ATOM 0 HB2 CYS A 95 1.780 -16.977 -56.246 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.311 -16.505 -55.534 1.00 0.00 H new ATOM 1181 N ASP A 96 2.158 -14.523 -53.981 1.00 0.00 N ATOM 1182 CA ASP A 96 1.800 -13.116 -53.904 1.00 0.00 C ATOM 1183 C ASP A 96 1.706 -12.501 -55.293 1.00 0.00 C ATOM 1184 O ASP A 96 1.698 -13.202 -56.313 1.00 0.00 O ATOM 1185 CB ASP A 96 2.838 -12.336 -53.079 1.00 0.00 C ATOM 1186 CG ASP A 96 2.981 -12.836 -51.661 1.00 0.00 C ATOM 1187 OD1 ASP A 96 2.136 -12.491 -50.815 1.00 0.00 O ATOM 1188 OD2 ASP A 96 3.959 -13.561 -51.380 1.00 0.00 O ATOM 0 H ASP A 96 3.162 -14.702 -53.957 1.00 0.00 H new ATOM 0 HA ASP A 96 0.827 -13.052 -53.418 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.806 -12.397 -53.577 1.00 0.00 H new ATOM 0 HB3 ASP A 96 2.556 -11.283 -53.058 1.00 0.00 H new ATOM 1193 N ARG A 97 1.662 -11.179 -55.322 1.00 0.00 N ATOM 1194 CA ARG A 97 1.579 -10.407 -56.557 1.00 0.00 C ATOM 1195 C ARG A 97 2.863 -10.516 -57.384 1.00 0.00 C ATOM 1196 O ARG A 97 2.924 -10.029 -58.513 1.00 0.00 O ATOM 1197 CB ARG A 97 1.322 -8.953 -56.220 1.00 0.00 C ATOM 1198 CG ARG A 97 2.389 -8.341 -55.347 1.00 0.00 C ATOM 1199 CD ARG A 97 2.032 -6.931 -54.963 1.00 0.00 C ATOM 1200 NE ARG A 97 3.025 -6.349 -54.065 1.00 0.00 N ATOM 1201 CZ ARG A 97 3.418 -5.078 -54.090 1.00 0.00 C ATOM 1202 NH1 ARG A 97 2.940 -4.240 -55.009 1.00 0.00 N ATOM 1203 NH2 ARG A 97 4.299 -4.645 -53.196 1.00 0.00 N ATOM 0 H ARG A 97 1.683 -10.603 -54.481 1.00 0.00 H new ATOM 0 HA ARG A 97 0.761 -10.812 -57.153 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.248 -8.381 -57.145 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.359 -8.870 -55.716 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.518 -8.944 -54.448 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.343 -8.347 -55.875 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.950 -6.319 -55.861 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.055 -6.921 -54.480 1.00 0.00 H new ATOM 0 HE ARG A 97 3.448 -6.961 -53.368 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.267 -4.571 -55.701 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.247 -3.267 -55.021 1.00 0.00 H new ATOM 0 HH21 ARG A 97 4.671 -5.286 -52.495 1.00 0.00 H new ATOM 0 HH22 ARG A 97 4.604 -3.672 -53.210 1.00 0.00 H new ATOM 1217 N SER A 98 3.878 -11.152 -56.812 1.00 0.00 N ATOM 1218 CA SER A 98 5.166 -11.316 -57.468 1.00 0.00 C ATOM 1219 C SER A 98 5.034 -12.116 -58.771 1.00 0.00 C ATOM 1220 O SER A 98 5.860 -11.984 -59.672 1.00 0.00 O ATOM 1221 CB SER A 98 6.152 -11.998 -56.512 1.00 0.00 C ATOM 1222 OG SER A 98 7.441 -12.135 -57.094 1.00 0.00 O ATOM 0 H SER A 98 3.830 -11.567 -55.882 1.00 0.00 H new ATOM 0 HA SER A 98 5.546 -10.328 -57.729 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.228 -11.417 -55.593 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.771 -12.981 -56.237 1.00 0.00 H new ATOM 0 HG SER A 98 8.043 -12.572 -56.456 1.00 0.00 H new ATOM 1228 N CYS A 99 3.997 -12.945 -58.862 1.00 0.00 N ATOM 1229 CA CYS A 99 3.748 -13.734 -60.064 1.00 0.00 C ATOM 1230 C CYS A 99 3.568 -12.852 -61.286 1.00 0.00 C ATOM 1231 O CYS A 99 2.791 -11.896 -61.267 1.00 0.00 O ATOM 1232 CB CYS A 99 2.515 -14.612 -59.892 1.00 0.00 C ATOM 1233 SG CYS A 99 2.868 -16.269 -59.302 1.00 0.00 S ATOM 0 H CYS A 99 3.315 -13.087 -58.117 1.00 0.00 H new ATOM 0 HA CYS A 99 4.624 -14.365 -60.216 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.832 -14.128 -59.194 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.996 -14.682 -60.848 1.00 0.00 H new ATOM 1238 N SER A 100 4.278 -13.184 -62.350 1.00 0.00 N ATOM 1239 CA SER A 100 4.168 -12.459 -63.604 1.00 0.00 C ATOM 1240 C SER A 100 2.799 -12.715 -64.235 1.00 0.00 C ATOM 1241 O SER A 100 2.384 -12.023 -65.157 1.00 0.00 O ATOM 1242 CB SER A 100 5.272 -12.913 -64.554 1.00 0.00 C ATOM 1243 OG SER A 100 6.524 -12.956 -63.885 1.00 0.00 O ATOM 0 H SER A 100 4.942 -13.958 -62.370 1.00 0.00 H new ATOM 0 HA SER A 100 4.274 -11.391 -63.413 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.033 -13.899 -64.952 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.331 -12.232 -65.403 1.00 0.00 H new ATOM 0 HG SER A 100 7.219 -13.251 -64.510 1.00 0.00 H new ATOM 1249 N CYS A 101 2.108 -13.713 -63.710 1.00 0.00 N ATOM 1250 CA CYS A 101 0.805 -14.102 -64.199 1.00 0.00 C ATOM 1251 C CYS A 101 -0.337 -13.267 -63.586 1.00 0.00 C ATOM 1252 O CYS A 101 -1.504 -13.602 -63.747 1.00 0.00 O ATOM 1253 CB CYS A 101 0.579 -15.589 -63.934 1.00 0.00 C ATOM 1254 SG CYS A 101 1.476 -16.689 -65.051 1.00 0.00 S ATOM 0 H CYS A 101 2.441 -14.277 -62.928 1.00 0.00 H new ATOM 0 HA CYS A 101 0.790 -13.910 -65.272 1.00 0.00 H new ATOM 0 HB2 CYS A 101 0.874 -15.812 -62.909 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -0.487 -15.802 -64.012 1.00 0.00 H new ATOM 1259 N LYS A 102 -0.006 -12.192 -62.885 1.00 0.00 N ATOM 1260 CA LYS A 102 -1.039 -11.324 -62.326 1.00 0.00 C ATOM 1261 C LYS A 102 -1.348 -10.177 -63.277 1.00 0.00 C ATOM 1262 O LYS A 102 -0.599 -9.160 -63.222 1.00 0.00 O ATOM 1263 CB LYS A 102 -0.620 -10.762 -60.966 1.00 0.00 C ATOM 1264 CG LYS A 102 -0.292 -11.816 -59.926 1.00 0.00 C ATOM 1265 CD LYS A 102 -1.403 -12.842 -59.801 1.00 0.00 C ATOM 1266 CE LYS A 102 -1.163 -13.766 -58.610 1.00 0.00 C ATOM 1267 NZ LYS A 102 -2.253 -14.763 -58.439 1.00 0.00 N ATOM 0 H LYS A 102 0.952 -11.901 -62.691 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.934 -11.930 -62.189 1.00 0.00 H new ATOM 0 HB2 LYS A 102 0.251 -10.122 -61.104 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -1.422 -10.130 -60.585 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.638 -12.317 -60.195 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -0.128 -11.337 -58.961 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.360 -12.334 -59.685 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -1.464 -13.431 -60.716 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.215 -14.287 -58.743 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.074 -13.169 -57.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.998 -15.430 -57.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.135 -14.273 -58.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.390 -15.283 -59.329 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 200 1.679 -18.435 -57.976 1.00 0.00 CD HETATM 1283 CD CD A 201 2.720 -21.434 -61.975 1.00 0.00 CD HETATM 1284 CD CD A 202 1.264 -18.387 -62.986 1.00 0.00 CD HETATM 1285 CD CD A 203 -5.853 -7.095 -47.261 1.00 0.00 CD HETATM 1286 CD CD A 204 -9.432 -9.657 -48.606 1.00 0.00 CD HETATM 1287 CD CD A 205 -8.467 -6.359 -50.894 1.00 0.00 CD HETATM 1288 CD CD A 206 -4.651 -0.535 -25.987 1.00 0.00 CD HETATM 1289 CD CD A 207 -6.472 1.403 -29.416 1.00 0.00 CD HETATM 1290 CD CD A 208 -1.864 0.729 -29.375 1.00 0.00 CD