USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 416 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 Single : A 10 SER OG : rot 22:sc= 0.966 USER MOD Single : A 13 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.01) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -166:sc=-0.000517 (180deg=-0.293) USER MOD Single : A 25 GLN : amide:sc= -0.361 X(o=-0.36,f=0) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0893 F(o=-0.92,f=-0.089) USER MOD Single : A 37 GLN : amide:sc= -0.0669 K(o=-0.067,f=-1.7) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -90:sc= -0.928 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -2.18! C(o=-6.3!,f=-2.2!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.8) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -0.145 F(o=-1.2,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 35 N GLU A 4 -2.785 6.638 5.024 1.00 0.00 N ATOM 36 CA GLU A 4 -1.550 6.507 5.790 1.00 0.00 C ATOM 37 C GLU A 4 -0.539 7.574 5.382 1.00 0.00 C ATOM 38 O GLU A 4 -0.769 8.336 4.443 1.00 0.00 O ATOM 39 CB GLU A 4 -0.947 5.115 5.592 1.00 0.00 C ATOM 40 CG GLU A 4 -1.612 4.037 6.432 1.00 0.00 C ATOM 41 CD GLU A 4 -0.715 2.836 6.656 1.00 0.00 C ATOM 42 OE1 GLU A 4 0.520 3.017 6.707 1.00 0.00 O ATOM 43 OE2 GLU A 4 -1.247 1.712 6.781 1.00 0.00 O ATOM 0 HA GLU A 4 -1.791 6.645 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.023 4.842 4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.115 5.150 5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -1.897 4.457 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.530 3.714 5.941 1.00 0.00 H new ATOM 50 N GLU A 5 0.582 7.623 6.096 1.00 0.00 N ATOM 51 CA GLU A 5 1.630 8.597 5.810 1.00 0.00 C ATOM 52 C GLU A 5 2.330 8.271 4.494 1.00 0.00 C ATOM 53 O GLU A 5 1.784 7.562 3.649 1.00 0.00 O ATOM 54 CB GLU A 5 2.649 8.629 6.950 1.00 0.00 C ATOM 55 CG GLU A 5 2.016 8.610 8.331 1.00 0.00 C ATOM 56 CD GLU A 5 1.892 9.995 8.934 1.00 0.00 C ATOM 57 OE1 GLU A 5 2.714 10.869 8.588 1.00 0.00 O ATOM 58 OE2 GLU A 5 0.972 10.206 9.753 1.00 0.00 O ATOM 0 H GLU A 5 0.788 7.000 6.877 1.00 0.00 H new ATOM 0 HA GLU A 5 1.166 9.579 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.317 7.773 6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.263 9.525 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 5 1.027 8.156 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 5 2.613 7.982 8.992 1.00 0.00 H new ATOM 65 N CYS A 6 3.543 8.791 4.327 1.00 0.00 N ATOM 66 CA CYS A 6 4.314 8.552 3.113 1.00 0.00 C ATOM 67 C CYS A 6 3.543 9.023 1.882 1.00 0.00 C ATOM 68 O CYS A 6 2.313 8.999 1.864 1.00 0.00 O ATOM 69 CB CYS A 6 4.650 7.064 2.989 1.00 0.00 C ATOM 70 SG CYS A 6 5.592 6.630 1.491 1.00 0.00 S ATOM 0 H CYS A 6 4.011 9.379 5.016 1.00 0.00 H new ATOM 0 HA CYS A 6 5.241 9.121 3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.222 6.759 3.865 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.722 6.492 2.999 1.00 0.00 H new ATOM 75 N ASP A 7 4.271 9.457 0.857 1.00 0.00 N ATOM 76 CA ASP A 7 3.646 9.938 -0.372 1.00 0.00 C ATOM 77 C ASP A 7 4.449 9.515 -1.598 1.00 0.00 C ATOM 78 O ASP A 7 4.403 10.169 -2.640 1.00 0.00 O ATOM 79 CB ASP A 7 3.513 11.462 -0.337 1.00 0.00 C ATOM 80 CG ASP A 7 2.598 11.937 0.774 1.00 0.00 C ATOM 81 OD1 ASP A 7 1.422 11.517 0.795 1.00 0.00 O ATOM 82 OD2 ASP A 7 3.057 12.728 1.624 1.00 0.00 O ATOM 0 H ASP A 7 5.291 9.486 0.852 1.00 0.00 H new ATOM 0 HA ASP A 7 2.654 9.493 -0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.499 11.907 -0.207 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.129 11.813 -1.295 1.00 0.00 H new ATOM 87 N CYS A 8 5.184 8.416 -1.467 1.00 0.00 N ATOM 88 CA CYS A 8 5.998 7.902 -2.563 1.00 0.00 C ATOM 89 C CYS A 8 5.197 6.962 -3.466 1.00 0.00 C ATOM 90 O CYS A 8 5.712 6.486 -4.478 1.00 0.00 O ATOM 91 CB CYS A 8 7.164 7.091 -2.033 1.00 0.00 C ATOM 92 SG CYS A 8 8.409 7.940 -1.018 1.00 0.00 S ATOM 0 H CYS A 8 5.233 7.863 -0.611 1.00 0.00 H new ATOM 0 HA CYS A 8 6.340 8.774 -3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.757 6.269 -1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 8 7.676 6.647 -2.887 1.00 0.00 H new ATOM 97 N GLY A 9 3.971 6.641 -3.062 1.00 0.00 N ATOM 98 CA GLY A 9 3.153 5.712 -3.822 1.00 0.00 C ATOM 99 C GLY A 9 2.953 4.427 -3.051 1.00 0.00 C ATOM 100 O GLY A 9 3.299 4.361 -1.874 1.00 0.00 O ATOM 0 H GLY A 9 3.529 7.009 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.186 6.165 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.629 5.498 -4.779 1.00 0.00 H new ATOM 104 N SER A 10 2.408 3.394 -3.682 1.00 0.00 N ATOM 105 CA SER A 10 2.213 2.144 -2.965 1.00 0.00 C ATOM 106 C SER A 10 1.843 0.964 -3.863 1.00 0.00 C ATOM 107 O SER A 10 2.696 0.135 -4.179 1.00 0.00 O ATOM 108 CB SER A 10 1.185 2.326 -1.854 1.00 0.00 C ATOM 109 OG SER A 10 1.770 2.917 -0.708 1.00 0.00 O ATOM 0 H SER A 10 2.103 3.395 -4.655 1.00 0.00 H new ATOM 0 HA SER A 10 3.179 1.888 -2.530 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.366 2.951 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.756 1.359 -1.589 1.00 0.00 H new ATOM 0 HG SER A 10 2.581 3.402 -0.968 1.00 0.00 H new ATOM 115 N PRO A 11 0.574 0.849 -4.272 1.00 0.00 N ATOM 116 CA PRO A 11 0.125 -0.262 -5.113 1.00 0.00 C ATOM 117 C PRO A 11 0.635 -0.145 -6.540 1.00 0.00 C ATOM 118 O PRO A 11 0.086 0.599 -7.353 1.00 0.00 O ATOM 119 CB PRO A 11 -1.395 -0.145 -5.054 1.00 0.00 C ATOM 120 CG PRO A 11 -1.645 1.304 -4.827 1.00 0.00 C ATOM 121 CD PRO A 11 -0.523 1.773 -3.945 1.00 0.00 C ATOM 0 HA PRO A 11 0.499 -1.226 -4.769 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.856 -0.488 -5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.809 -0.751 -4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.659 1.852 -5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.612 1.465 -4.351 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.253 2.808 -4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.792 1.721 -2.890 1.00 0.00 H new ATOM 129 N GLY A 12 1.709 -0.871 -6.827 1.00 0.00 N ATOM 130 CA GLY A 12 2.307 -0.826 -8.147 1.00 0.00 C ATOM 131 C GLY A 12 3.528 0.064 -8.152 1.00 0.00 C ATOM 132 O GLY A 12 4.402 -0.055 -9.010 1.00 0.00 O ATOM 0 H GLY A 12 2.177 -1.492 -6.167 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.584 -1.833 -8.460 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.579 -0.456 -8.869 1.00 0.00 H new ATOM 136 N ASN A 13 3.580 0.952 -7.167 1.00 0.00 N ATOM 137 CA ASN A 13 4.689 1.876 -7.007 1.00 0.00 C ATOM 138 C ASN A 13 5.041 2.004 -5.531 1.00 0.00 C ATOM 139 O ASN A 13 4.985 3.092 -4.958 1.00 0.00 O ATOM 140 CB ASN A 13 4.332 3.247 -7.585 1.00 0.00 C ATOM 141 CG ASN A 13 4.214 3.225 -9.096 1.00 0.00 C ATOM 142 OD1 ASN A 13 3.185 3.602 -9.656 1.00 0.00 O ATOM 143 ND2 ASN A 13 5.271 2.781 -9.766 1.00 0.00 N ATOM 0 H ASN A 13 2.853 1.050 -6.458 1.00 0.00 H new ATOM 0 HA ASN A 13 5.552 1.489 -7.549 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.389 3.585 -7.155 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.093 3.971 -7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.250 2.743 -10.785 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.104 2.478 -9.262 1.00 0.00 H new ATOM 150 N PRO A 14 5.410 0.876 -4.900 1.00 0.00 N ATOM 151 CA PRO A 14 5.780 0.809 -3.499 1.00 0.00 C ATOM 152 C PRO A 14 6.224 2.149 -2.936 1.00 0.00 C ATOM 153 O PRO A 14 7.192 2.741 -3.408 1.00 0.00 O ATOM 154 CB PRO A 14 6.930 -0.186 -3.554 1.00 0.00 C ATOM 155 CG PRO A 14 6.550 -1.145 -4.646 1.00 0.00 C ATOM 156 CD PRO A 14 5.513 -0.453 -5.508 1.00 0.00 C ATOM 0 HA PRO A 14 4.957 0.525 -2.843 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.874 0.312 -3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.055 -0.700 -2.601 1.00 0.00 H new ATOM 0 HG2 PRO A 14 7.423 -1.419 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.148 -2.067 -4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.828 -0.396 -6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.559 -0.979 -5.491 1.00 0.00 H new ATOM 164 N CYS A 15 5.488 2.622 -1.934 1.00 0.00 N ATOM 165 CA CYS A 15 5.767 3.900 -1.295 1.00 0.00 C ATOM 166 C CYS A 15 7.259 4.146 -1.117 1.00 0.00 C ATOM 167 O CYS A 15 7.805 3.941 -0.035 1.00 0.00 O ATOM 168 CB CYS A 15 5.059 4.000 0.062 1.00 0.00 C ATOM 169 SG CYS A 15 4.251 5.606 0.362 1.00 0.00 S ATOM 0 H CYS A 15 4.684 2.130 -1.545 1.00 0.00 H new ATOM 0 HA CYS A 15 5.380 4.671 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.310 3.211 0.128 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.786 3.817 0.853 1.00 0.00 H new ATOM 174 N CYS A 16 7.876 4.656 -2.184 1.00 0.00 N ATOM 175 CA CYS A 16 9.291 5.033 -2.199 1.00 0.00 C ATOM 176 C CYS A 16 10.146 4.072 -3.017 1.00 0.00 C ATOM 177 O CYS A 16 11.278 3.767 -2.646 1.00 0.00 O ATOM 178 CB CYS A 16 9.866 5.194 -0.786 1.00 0.00 C ATOM 179 SG CYS A 16 9.035 6.465 0.253 1.00 0.00 S ATOM 0 H CYS A 16 7.402 4.821 -3.072 1.00 0.00 H new ATOM 0 HA CYS A 16 9.329 6.006 -2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 16 9.807 4.233 -0.275 1.00 0.00 H new ATOM 0 HB3 CYS A 16 10.923 5.447 -0.867 1.00 0.00 H new ATOM 184 N ASP A 17 9.613 3.626 -4.150 1.00 0.00 N ATOM 185 CA ASP A 17 10.346 2.724 -5.031 1.00 0.00 C ATOM 186 C ASP A 17 11.389 3.494 -5.838 1.00 0.00 C ATOM 187 O ASP A 17 12.410 2.937 -6.246 1.00 0.00 O ATOM 188 CB ASP A 17 9.387 2.001 -5.979 1.00 0.00 C ATOM 189 CG ASP A 17 8.286 2.908 -6.492 1.00 0.00 C ATOM 190 OD1 ASP A 17 7.525 3.445 -5.660 1.00 0.00 O ATOM 191 OD2 ASP A 17 8.184 3.081 -7.724 1.00 0.00 O ATOM 0 H ASP A 17 8.680 3.873 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 17 10.854 1.984 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.948 1.602 -6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.942 1.151 -5.462 1.00 0.00 H new ATOM 196 N ALA A 18 11.117 4.777 -6.078 1.00 0.00 N ATOM 197 CA ALA A 18 12.021 5.629 -6.842 1.00 0.00 C ATOM 198 C ALA A 18 11.813 5.440 -8.339 1.00 0.00 C ATOM 199 O ALA A 18 11.791 6.403 -9.106 1.00 0.00 O ATOM 200 CB ALA A 18 13.466 5.336 -6.466 1.00 0.00 C ATOM 0 H ALA A 18 10.273 5.248 -5.752 1.00 0.00 H new ATOM 0 HA ALA A 18 11.798 6.668 -6.598 1.00 0.00 H new ATOM 0 HB1 ALA A 18 14.130 5.979 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 18 13.611 5.527 -5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 18 13.694 4.292 -6.682 1.00 0.00 H new ATOM 206 N ALA A 19 11.664 4.187 -8.742 1.00 0.00 N ATOM 207 CA ALA A 19 11.458 3.839 -10.136 1.00 0.00 C ATOM 208 C ALA A 19 11.091 2.365 -10.266 1.00 0.00 C ATOM 209 O ALA A 19 10.302 1.982 -11.130 1.00 0.00 O ATOM 210 CB ALA A 19 12.707 4.156 -10.938 1.00 0.00 C ATOM 0 H ALA A 19 11.683 3.385 -8.111 1.00 0.00 H new ATOM 0 HA ALA A 19 10.632 4.430 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.545 3.892 -11.983 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.927 5.221 -10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 19 13.547 3.583 -10.545 1.00 0.00 H new ATOM 216 N THR A 20 11.665 1.545 -9.388 1.00 0.00 N ATOM 217 CA THR A 20 11.400 0.115 -9.381 1.00 0.00 C ATOM 218 C THR A 20 11.152 -0.355 -7.955 1.00 0.00 C ATOM 219 O THR A 20 11.884 0.019 -7.040 1.00 0.00 O ATOM 220 CB THR A 20 12.576 -0.647 -9.992 1.00 0.00 C ATOM 221 OG1 THR A 20 12.152 -1.895 -10.511 1.00 0.00 O ATOM 222 CG2 THR A 20 13.694 -0.915 -9.007 1.00 0.00 C ATOM 0 H THR A 20 12.320 1.853 -8.669 1.00 0.00 H new ATOM 0 HA THR A 20 10.512 -0.083 -9.981 1.00 0.00 H new ATOM 0 HB THR A 20 12.957 -0.000 -10.782 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.919 -2.366 -10.899 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.496 -1.459 -9.506 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.079 0.031 -8.627 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.313 -1.511 -8.178 1.00 0.00 H new ATOM 230 N CYS A 21 10.112 -1.159 -7.771 1.00 0.00 N ATOM 231 CA CYS A 21 9.762 -1.664 -6.448 1.00 0.00 C ATOM 232 C CYS A 21 11.009 -1.896 -5.595 1.00 0.00 C ATOM 233 O CYS A 21 11.597 -2.978 -5.616 1.00 0.00 O ATOM 234 CB CYS A 21 8.950 -2.958 -6.570 1.00 0.00 C ATOM 235 SG CYS A 21 7.315 -2.737 -7.349 1.00 0.00 S ATOM 0 H CYS A 21 9.496 -1.475 -8.520 1.00 0.00 H new ATOM 0 HA CYS A 21 9.152 -0.910 -5.951 1.00 0.00 H new ATOM 0 HB2 CYS A 21 9.523 -3.681 -7.151 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.813 -3.384 -5.576 1.00 0.00 H new ATOM 240 N LYS A 22 11.405 -0.867 -4.846 1.00 0.00 N ATOM 241 CA LYS A 22 12.580 -0.947 -3.981 1.00 0.00 C ATOM 242 C LYS A 22 12.677 0.280 -3.075 1.00 0.00 C ATOM 243 O LYS A 22 12.867 1.399 -3.551 1.00 0.00 O ATOM 244 CB LYS A 22 13.851 -1.074 -4.823 1.00 0.00 C ATOM 245 CG LYS A 22 15.130 -1.044 -4.003 1.00 0.00 C ATOM 246 CD LYS A 22 15.587 -2.446 -3.632 1.00 0.00 C ATOM 247 CE LYS A 22 16.574 -2.997 -4.649 1.00 0.00 C ATOM 248 NZ LYS A 22 15.887 -3.703 -5.765 1.00 0.00 N ATOM 0 H LYS A 22 10.927 0.034 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 22 12.477 -1.832 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.812 -2.007 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.877 -0.263 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.915 -0.542 -4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.969 -0.461 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.050 -2.430 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.722 -3.107 -3.567 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.174 -2.181 -5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.260 -3.683 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.581 -4.261 -6.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.158 -4.336 -5.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.441 -3.006 -6.395 1.00 0.00 H new ATOM 262 N LEU A 23 12.543 0.065 -1.768 1.00 0.00 N ATOM 263 CA LEU A 23 12.614 1.154 -0.801 1.00 0.00 C ATOM 264 C LEU A 23 13.131 0.664 0.548 1.00 0.00 C ATOM 265 O LEU A 23 12.974 -0.505 0.900 1.00 0.00 O ATOM 266 CB LEU A 23 11.237 1.787 -0.623 1.00 0.00 C ATOM 267 CG LEU A 23 10.193 0.898 0.047 1.00 0.00 C ATOM 268 CD1 LEU A 23 8.804 1.443 -0.217 1.00 0.00 C ATOM 269 CD2 LEU A 23 10.304 -0.532 -0.455 1.00 0.00 C ATOM 0 H LEU A 23 12.385 -0.854 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 23 13.311 1.898 -1.186 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.347 2.697 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 23 10.862 2.084 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 23 10.375 0.897 1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.064 0.803 0.264 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.727 2.453 0.186 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.620 1.465 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.551 -1.149 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.144 -0.553 -1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.296 -0.921 -0.228 1.00 0.00 H new ATOM 281 N ARG A 24 13.745 1.570 1.302 1.00 0.00 N ATOM 282 CA ARG A 24 14.281 1.237 2.616 1.00 0.00 C ATOM 283 C ARG A 24 13.343 1.707 3.726 1.00 0.00 C ATOM 284 O ARG A 24 13.659 1.584 4.910 1.00 0.00 O ATOM 285 CB ARG A 24 15.663 1.866 2.800 1.00 0.00 C ATOM 286 CG ARG A 24 16.770 1.126 2.066 1.00 0.00 C ATOM 287 CD ARG A 24 18.136 1.710 2.385 1.00 0.00 C ATOM 288 NE ARG A 24 19.156 1.264 1.440 1.00 0.00 N ATOM 289 CZ ARG A 24 19.654 0.032 1.421 1.00 0.00 C ATOM 290 NH1 ARG A 24 19.226 -0.872 2.292 1.00 0.00 N ATOM 291 NH2 ARG A 24 20.579 -0.297 0.530 1.00 0.00 N ATOM 0 H ARG A 24 13.884 2.542 1.025 1.00 0.00 H new ATOM 0 HA ARG A 24 14.371 0.152 2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.633 2.898 2.450 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.901 1.897 3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.750 0.072 2.343 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.593 1.177 0.992 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.078 2.798 2.369 1.00 0.00 H new ATOM 0 HD3 ARG A 24 18.427 1.421 3.395 1.00 0.00 H new ATOM 0 HE ARG A 24 19.506 1.935 0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.514 -0.622 2.978 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.609 -1.817 2.276 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.909 0.396 -0.142 1.00 0.00 H new ATOM 0 HH22 ARG A 24 20.960 -1.243 0.516 1.00 0.00 H new ATOM 305 N GLN A 25 12.192 2.252 3.339 1.00 0.00 N ATOM 306 CA GLN A 25 11.216 2.745 4.307 1.00 0.00 C ATOM 307 C GLN A 25 10.071 1.755 4.494 1.00 0.00 C ATOM 308 O GLN A 25 9.232 1.921 5.379 1.00 0.00 O ATOM 309 CB GLN A 25 10.665 4.100 3.860 1.00 0.00 C ATOM 310 CG GLN A 25 10.716 5.166 4.942 1.00 0.00 C ATOM 311 CD GLN A 25 12.117 5.701 5.167 1.00 0.00 C ATOM 312 OE1 GLN A 25 12.517 6.698 4.566 1.00 0.00 O ATOM 313 NE2 GLN A 25 12.871 5.038 6.036 1.00 0.00 N ATOM 0 H GLN A 25 11.913 2.363 2.364 1.00 0.00 H new ATOM 0 HA GLN A 25 11.725 2.861 5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 25 11.231 4.445 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.632 3.973 3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.056 5.989 4.667 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.336 4.750 5.875 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.498 4.216 6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.823 5.351 6.228 1.00 0.00 H new ATOM 322 N GLY A 26 10.043 0.725 3.658 1.00 0.00 N ATOM 323 CA GLY A 26 8.997 -0.278 3.749 1.00 0.00 C ATOM 324 C GLY A 26 7.615 0.292 3.490 1.00 0.00 C ATOM 325 O GLY A 26 6.935 0.743 4.411 1.00 0.00 O ATOM 0 H GLY A 26 10.726 0.565 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 26 9.198 -1.073 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.019 -0.731 4.740 1.00 0.00 H new ATOM 329 N ALA A 27 7.206 0.273 2.227 1.00 0.00 N ATOM 330 CA ALA A 27 5.905 0.792 1.823 1.00 0.00 C ATOM 331 C ALA A 27 4.841 -0.301 1.811 1.00 0.00 C ATOM 332 O ALA A 27 3.898 -0.253 1.022 1.00 0.00 O ATOM 333 CB ALA A 27 6.015 1.410 0.446 1.00 0.00 C ATOM 0 H ALA A 27 7.763 -0.100 1.458 1.00 0.00 H new ATOM 0 HA ALA A 27 5.601 1.545 2.550 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.043 1.798 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.740 2.224 0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.342 0.653 -0.267 1.00 0.00 H new ATOM 339 N GLN A 28 5.007 -1.288 2.676 1.00 0.00 N ATOM 340 CA GLN A 28 4.074 -2.407 2.761 1.00 0.00 C ATOM 341 C GLN A 28 2.624 -1.966 2.569 1.00 0.00 C ATOM 342 O GLN A 28 2.023 -2.194 1.519 1.00 0.00 O ATOM 343 CB GLN A 28 4.231 -3.105 4.112 1.00 0.00 C ATOM 344 CG GLN A 28 5.672 -3.282 4.534 1.00 0.00 C ATOM 345 CD GLN A 28 6.036 -2.442 5.743 1.00 0.00 C ATOM 346 OE1 GLN A 28 5.440 -1.259 5.844 1.00 0.00 O flip ATOM 347 NE2 GLN A 28 6.843 -2.852 6.578 1.00 0.00 N flip ATOM 0 H GLN A 28 5.784 -1.340 3.335 1.00 0.00 H new ATOM 0 HA GLN A 28 4.313 -3.098 1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.706 -2.528 4.873 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.751 -4.083 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.854 -4.333 4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.325 -3.017 3.703 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.277 -3.767 6.461 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.077 -2.276 7.387 1.00 0.00 H new ATOM 356 N CYS A 29 2.075 -1.334 3.592 1.00 0.00 N ATOM 357 CA CYS A 29 0.703 -0.845 3.565 1.00 0.00 C ATOM 358 C CYS A 29 0.687 0.605 4.020 1.00 0.00 C ATOM 359 O CYS A 29 -0.140 1.014 4.835 1.00 0.00 O ATOM 360 CB CYS A 29 -0.199 -1.692 4.471 1.00 0.00 C ATOM 361 SG CYS A 29 -0.760 -3.259 3.724 1.00 0.00 S ATOM 0 H CYS A 29 2.566 -1.144 4.466 1.00 0.00 H new ATOM 0 HA CYS A 29 0.319 -0.919 2.548 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.339 -1.915 5.392 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.073 -1.102 4.747 1.00 0.00 H new ATOM 366 N ALA A 30 1.631 1.369 3.487 1.00 0.00 N ATOM 367 CA ALA A 30 1.771 2.785 3.830 1.00 0.00 C ATOM 368 C ALA A 30 0.618 3.595 3.249 1.00 0.00 C ATOM 369 O ALA A 30 -0.526 3.142 3.277 1.00 0.00 O ATOM 370 CB ALA A 30 3.111 3.310 3.335 1.00 0.00 C ATOM 0 H ALA A 30 2.317 1.033 2.811 1.00 0.00 H new ATOM 0 HA ALA A 30 1.738 2.890 4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.207 4.364 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.918 2.746 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.169 3.196 2.253 1.00 0.00 H new ATOM 376 N GLU A 31 0.911 4.781 2.699 1.00 0.00 N ATOM 377 CA GLU A 31 -0.133 5.605 2.095 1.00 0.00 C ATOM 378 C GLU A 31 -1.092 4.697 1.345 1.00 0.00 C ATOM 379 O GLU A 31 -2.291 4.955 1.258 1.00 0.00 O ATOM 380 CB GLU A 31 0.475 6.636 1.142 1.00 0.00 C ATOM 381 CG GLU A 31 -0.545 7.298 0.229 1.00 0.00 C ATOM 382 CD GLU A 31 -0.679 8.786 0.487 1.00 0.00 C ATOM 383 OE1 GLU A 31 -1.509 9.168 1.338 1.00 0.00 O ATOM 384 OE2 GLU A 31 0.048 9.568 -0.161 1.00 0.00 O ATOM 0 H GLU A 31 1.848 5.183 2.662 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.667 6.147 2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.980 7.405 1.726 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.235 6.149 0.531 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.256 7.138 -0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.515 6.820 0.367 1.00 0.00 H new ATOM 391 N GLY A 32 -0.529 3.607 0.840 1.00 0.00 N ATOM 392 CA GLY A 32 -1.290 2.607 0.132 1.00 0.00 C ATOM 393 C GLY A 32 -0.609 1.261 0.235 1.00 0.00 C ATOM 394 O GLY A 32 0.163 1.031 1.165 1.00 0.00 O ATOM 0 H GLY A 32 0.467 3.399 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.297 2.546 0.545 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.392 2.892 -0.915 1.00 0.00 H new ATOM 398 N LEU A 33 -0.878 0.363 -0.702 1.00 0.00 N ATOM 399 CA LEU A 33 -0.252 -0.954 -0.654 1.00 0.00 C ATOM 400 C LEU A 33 1.248 -0.902 -1.008 1.00 0.00 C ATOM 401 O LEU A 33 1.962 -0.018 -0.533 1.00 0.00 O ATOM 402 CB LEU A 33 -1.021 -1.950 -1.525 1.00 0.00 C ATOM 403 CG LEU A 33 -1.224 -3.325 -0.877 1.00 0.00 C ATOM 404 CD1 LEU A 33 0.046 -4.143 -0.948 1.00 0.00 C ATOM 405 CD2 LEU A 33 -1.650 -3.171 0.574 1.00 0.00 C ATOM 0 H LEU A 33 -1.510 0.514 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.303 -1.308 0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.996 -1.527 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.488 -2.080 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.009 -3.844 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.120 -5.114 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.330 -4.284 -1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.845 -3.621 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.790 -4.156 1.019 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.880 -2.631 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.587 -2.616 0.621 1.00 0.00 H new ATOM 417 N CYS A 34 1.741 -1.866 -1.798 1.00 0.00 N ATOM 418 CA CYS A 34 3.165 -1.922 -2.143 1.00 0.00 C ATOM 419 C CYS A 34 3.436 -2.950 -3.241 1.00 0.00 C ATOM 420 O CYS A 34 2.546 -3.285 -4.023 1.00 0.00 O ATOM 421 CB CYS A 34 3.960 -2.298 -0.895 1.00 0.00 C ATOM 422 SG CYS A 34 5.616 -1.565 -0.768 1.00 0.00 S ATOM 0 H CYS A 34 1.178 -2.612 -2.207 1.00 0.00 H new ATOM 0 HA CYS A 34 3.469 -0.943 -2.515 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.384 -2.004 -0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.059 -3.383 -0.863 1.00 0.00 H new ATOM 427 N CYS A 35 4.673 -3.454 -3.288 1.00 0.00 N ATOM 428 CA CYS A 35 5.050 -4.447 -4.286 1.00 0.00 C ATOM 429 C CYS A 35 6.427 -5.048 -4.007 1.00 0.00 C ATOM 430 O CYS A 35 6.670 -6.219 -4.298 1.00 0.00 O ATOM 431 CB CYS A 35 5.003 -3.828 -5.694 1.00 0.00 C ATOM 432 SG CYS A 35 6.292 -4.420 -6.849 1.00 0.00 S ATOM 0 H CYS A 35 5.423 -3.190 -2.649 1.00 0.00 H new ATOM 0 HA CYS A 35 4.328 -5.262 -4.230 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.025 -4.032 -6.131 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.091 -2.746 -5.601 1.00 0.00 H new ATOM 437 N ASP A 36 7.327 -4.245 -3.465 1.00 0.00 N ATOM 438 CA ASP A 36 8.683 -4.716 -3.177 1.00 0.00 C ATOM 439 C ASP A 36 8.765 -5.426 -1.830 1.00 0.00 C ATOM 440 O ASP A 36 7.750 -5.688 -1.185 1.00 0.00 O ATOM 441 CB ASP A 36 9.701 -3.569 -3.221 1.00 0.00 C ATOM 442 CG ASP A 36 9.082 -2.203 -3.008 1.00 0.00 C ATOM 443 OD1 ASP A 36 8.552 -1.955 -1.908 1.00 0.00 O ATOM 444 OD2 ASP A 36 9.139 -1.378 -3.939 1.00 0.00 O ATOM 0 H ASP A 36 7.152 -3.272 -3.215 1.00 0.00 H new ATOM 0 HA ASP A 36 8.931 -5.434 -3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.460 -3.738 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.210 -3.582 -4.185 1.00 0.00 H new ATOM 449 N GLN A 37 9.992 -5.743 -1.425 1.00 0.00 N ATOM 450 CA GLN A 37 10.245 -6.436 -0.169 1.00 0.00 C ATOM 451 C GLN A 37 9.560 -5.750 1.009 1.00 0.00 C ATOM 452 O GLN A 37 9.401 -6.354 2.070 1.00 0.00 O ATOM 453 CB GLN A 37 11.750 -6.527 0.089 1.00 0.00 C ATOM 454 CG GLN A 37 12.552 -6.930 -1.137 1.00 0.00 C ATOM 455 CD GLN A 37 13.368 -5.784 -1.704 1.00 0.00 C ATOM 456 OE1 GLN A 37 12.984 -5.166 -2.697 1.00 0.00 O ATOM 457 NE2 GLN A 37 14.500 -5.496 -1.074 1.00 0.00 N ATOM 0 H GLN A 37 10.835 -5.527 -1.957 1.00 0.00 H new ATOM 0 HA GLN A 37 9.827 -7.438 -0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 37 12.108 -5.562 0.446 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.931 -7.249 0.885 1.00 0.00 H new ATOM 0 HG2 GLN A 37 13.219 -7.752 -0.876 1.00 0.00 H new ATOM 0 HG3 GLN A 37 11.873 -7.302 -1.904 1.00 0.00 H new ATOM 0 HE21 GLN A 37 14.779 -6.035 -0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 37 15.091 -4.735 -1.409 1.00 0.00 H new ATOM 466 N CYS A 38 9.163 -4.489 0.822 1.00 0.00 N ATOM 467 CA CYS A 38 8.498 -3.727 1.879 1.00 0.00 C ATOM 468 C CYS A 38 7.689 -4.653 2.788 1.00 0.00 C ATOM 469 O CYS A 38 7.779 -4.558 4.011 1.00 0.00 O ATOM 470 CB CYS A 38 7.595 -2.646 1.265 1.00 0.00 C ATOM 471 SG CYS A 38 6.761 -3.164 -0.267 1.00 0.00 S ATOM 0 H CYS A 38 9.291 -3.976 -0.050 1.00 0.00 H new ATOM 0 HA CYS A 38 9.261 -3.240 2.487 1.00 0.00 H new ATOM 0 HB2 CYS A 38 6.841 -2.357 1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 38 8.195 -1.760 1.059 1.00 0.00 H new ATOM 476 N ARG A 39 6.916 -5.554 2.173 1.00 0.00 N ATOM 477 CA ARG A 39 6.086 -6.520 2.903 1.00 0.00 C ATOM 478 C ARG A 39 4.651 -6.016 3.019 1.00 0.00 C ATOM 479 O ARG A 39 4.266 -5.085 2.320 1.00 0.00 O ATOM 480 CB ARG A 39 6.661 -6.806 4.293 1.00 0.00 C ATOM 481 CG ARG A 39 6.418 -8.229 4.771 1.00 0.00 C ATOM 482 CD ARG A 39 6.103 -8.270 6.257 1.00 0.00 C ATOM 483 NE ARG A 39 7.114 -7.578 7.050 1.00 0.00 N ATOM 484 CZ ARG A 39 8.359 -8.018 7.201 1.00 0.00 C ATOM 485 NH1 ARG A 39 8.742 -9.145 6.617 1.00 0.00 N ATOM 486 NH2 ARG A 39 9.223 -7.331 7.935 1.00 0.00 N ATOM 0 H ARG A 39 6.847 -5.635 1.159 1.00 0.00 H new ATOM 0 HA ARG A 39 6.086 -7.452 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.734 -6.614 4.280 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.222 -6.111 5.009 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.592 -8.666 4.210 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.299 -8.838 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.129 -7.814 6.434 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.033 -9.307 6.584 1.00 0.00 H new ATOM 0 HE ARG A 39 6.851 -6.709 7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.081 -9.676 6.050 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.698 -9.481 6.734 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.933 -6.463 8.385 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.178 -7.670 8.050 1.00 0.00 H new ATOM 500 N PHE A 40 3.861 -6.637 3.898 1.00 0.00 N ATOM 501 CA PHE A 40 2.464 -6.237 4.088 1.00 0.00 C ATOM 502 C PHE A 40 1.897 -6.792 5.391 1.00 0.00 C ATOM 503 O PHE A 40 2.149 -7.939 5.760 1.00 0.00 O ATOM 504 CB PHE A 40 1.613 -6.687 2.901 1.00 0.00 C ATOM 505 CG PHE A 40 2.275 -6.449 1.575 1.00 0.00 C ATOM 506 CD1 PHE A 40 3.171 -7.369 1.055 1.00 0.00 C ATOM 507 CD2 PHE A 40 2.017 -5.294 0.856 1.00 0.00 C ATOM 508 CE1 PHE A 40 3.794 -7.140 -0.155 1.00 0.00 C ATOM 509 CE2 PHE A 40 2.636 -5.064 -0.354 1.00 0.00 C ATOM 510 CZ PHE A 40 3.526 -5.987 -0.861 1.00 0.00 C ATOM 0 H PHE A 40 4.162 -7.414 4.486 1.00 0.00 H new ATOM 0 HA PHE A 40 2.435 -5.149 4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.391 -7.749 3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.660 -6.158 2.924 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.384 -8.275 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.323 -4.565 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.492 -7.864 -0.549 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.424 -4.160 -0.905 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.012 -5.807 -1.809 1.00 0.00 H new ATOM 520 N MET A 41 1.136 -5.951 6.087 1.00 0.00 N ATOM 521 CA MET A 41 0.529 -6.318 7.361 1.00 0.00 C ATOM 522 C MET A 41 -0.230 -7.639 7.276 1.00 0.00 C ATOM 523 O MET A 41 0.265 -8.673 7.723 1.00 0.00 O ATOM 524 CB MET A 41 -0.420 -5.211 7.824 1.00 0.00 C ATOM 525 CG MET A 41 0.052 -4.487 9.074 1.00 0.00 C ATOM 526 SD MET A 41 1.489 -3.442 8.768 1.00 0.00 S ATOM 527 CE MET A 41 1.714 -2.696 10.381 1.00 0.00 C ATOM 0 H MET A 41 0.924 -5.000 5.784 1.00 0.00 H new ATOM 0 HA MET A 41 1.336 -6.444 8.082 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.540 -4.487 7.018 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.403 -5.643 8.014 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.761 -3.875 9.464 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.297 -5.219 9.843 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.569 -2.020 10.353 1.00 0.00 H new ATOM 0 HE2 MET A 41 0.818 -2.137 10.652 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.892 -3.476 11.121 1.00 0.00 H new ATOM 537 N LYS A 42 -1.443 -7.578 6.722 1.00 0.00 N ATOM 538 CA LYS A 42 -2.316 -8.747 6.586 1.00 0.00 C ATOM 539 C LYS A 42 -3.360 -8.755 7.693 1.00 0.00 C ATOM 540 O LYS A 42 -3.674 -9.799 8.264 1.00 0.00 O ATOM 541 CB LYS A 42 -1.519 -10.054 6.605 1.00 0.00 C ATOM 542 CG LYS A 42 -0.357 -10.074 5.625 1.00 0.00 C ATOM 543 CD LYS A 42 -0.746 -10.743 4.317 1.00 0.00 C ATOM 544 CE LYS A 42 0.474 -11.249 3.566 1.00 0.00 C ATOM 545 NZ LYS A 42 0.179 -12.491 2.799 1.00 0.00 N ATOM 0 H LYS A 42 -1.848 -6.717 6.355 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.815 -8.676 5.620 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.137 -10.222 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.190 -10.882 6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.026 -9.054 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.486 -10.603 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.421 -11.575 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.291 -10.035 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.826 -10.476 2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.281 -11.442 4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.037 -12.804 2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.133 -13.237 3.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.573 -12.301 2.107 1.00 0.00 H new ATOM 559 N GLU A 43 -3.894 -7.574 7.987 1.00 0.00 N ATOM 560 CA GLU A 43 -4.907 -7.423 9.022 1.00 0.00 C ATOM 561 C GLU A 43 -5.646 -6.102 8.858 1.00 0.00 C ATOM 562 O GLU A 43 -5.294 -5.097 9.477 1.00 0.00 O ATOM 563 CB GLU A 43 -4.267 -7.493 10.404 1.00 0.00 C ATOM 564 CG GLU A 43 -5.274 -7.541 11.541 1.00 0.00 C ATOM 565 CD GLU A 43 -4.739 -8.260 12.764 1.00 0.00 C ATOM 566 OE1 GLU A 43 -3.960 -7.644 13.522 1.00 0.00 O ATOM 567 OE2 GLU A 43 -5.099 -9.439 12.965 1.00 0.00 O ATOM 0 H GLU A 43 -3.639 -6.704 7.519 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.623 -8.239 8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.631 -8.377 10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.620 -6.626 10.540 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.555 -6.524 11.816 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.180 -8.040 11.198 1.00 0.00 H new ATOM 574 N GLY A 44 -6.675 -6.117 8.022 1.00 0.00 N ATOM 575 CA GLY A 44 -7.463 -4.930 7.779 1.00 0.00 C ATOM 576 C GLY A 44 -6.672 -3.650 7.868 1.00 0.00 C ATOM 577 O GLY A 44 -7.051 -2.741 8.607 1.00 0.00 O ATOM 0 H GLY A 44 -6.979 -6.941 7.503 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.914 -5.000 6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.280 -4.893 8.500 1.00 0.00 H new ATOM 581 N THR A 45 -5.583 -3.546 7.111 1.00 0.00 N ATOM 582 CA THR A 45 -4.801 -2.324 7.143 1.00 0.00 C ATOM 583 C THR A 45 -5.264 -1.386 6.027 1.00 0.00 C ATOM 584 O THR A 45 -6.466 -1.203 5.840 1.00 0.00 O ATOM 585 CB THR A 45 -3.310 -2.635 7.045 1.00 0.00 C ATOM 586 OG1 THR A 45 -3.029 -3.919 7.577 1.00 0.00 O ATOM 587 CG2 THR A 45 -2.453 -1.636 7.782 1.00 0.00 C ATOM 0 H THR A 45 -5.233 -4.273 6.486 1.00 0.00 H new ATOM 0 HA THR A 45 -4.959 -1.819 8.096 1.00 0.00 H new ATOM 0 HB THR A 45 -3.069 -2.590 5.983 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.830 -3.840 8.533 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.403 -1.909 7.676 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.613 -0.642 7.365 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.723 -1.634 8.838 1.00 0.00 H new ATOM 595 N ILE A 46 -4.334 -0.791 5.287 1.00 0.00 N ATOM 596 CA ILE A 46 -4.704 0.109 4.209 1.00 0.00 C ATOM 597 C ILE A 46 -4.136 -0.383 2.877 1.00 0.00 C ATOM 598 O ILE A 46 -2.965 -0.164 2.566 1.00 0.00 O ATOM 599 CB ILE A 46 -4.252 1.567 4.526 1.00 0.00 C ATOM 600 CG1 ILE A 46 -5.478 2.450 4.759 1.00 0.00 C ATOM 601 CG2 ILE A 46 -3.370 2.167 3.434 1.00 0.00 C ATOM 602 CD1 ILE A 46 -5.773 2.701 6.221 1.00 0.00 C ATOM 0 H ILE A 46 -3.330 -0.916 5.414 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.790 0.116 4.120 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.645 1.525 5.430 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.328 3.406 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.347 1.981 4.297 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.088 3.183 3.712 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.472 1.560 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.920 2.188 2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.655 3.334 6.311 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.956 1.751 6.724 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.921 3.199 6.684 1.00 0.00 H new ATOM 614 N CYS A 47 -4.973 -1.058 2.093 1.00 0.00 N ATOM 615 CA CYS A 47 -4.541 -1.570 0.803 1.00 0.00 C ATOM 616 C CYS A 47 -4.771 -0.562 -0.304 1.00 0.00 C ATOM 617 O CYS A 47 -4.632 -0.888 -1.480 1.00 0.00 O ATOM 618 CB CYS A 47 -5.233 -2.866 0.459 1.00 0.00 C ATOM 619 SG CYS A 47 -4.417 -3.712 -0.912 1.00 0.00 S ATOM 0 H CYS A 47 -5.945 -1.260 2.329 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.471 -1.757 0.887 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.244 -3.516 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.272 -2.666 0.197 1.00 0.00 H new ATOM 624 N ARG A 48 -5.118 0.656 0.092 1.00 0.00 N ATOM 625 CA ARG A 48 -5.378 1.753 -0.847 1.00 0.00 C ATOM 626 C ARG A 48 -5.034 1.390 -2.288 1.00 0.00 C ATOM 627 O ARG A 48 -3.863 1.326 -2.662 1.00 0.00 O ATOM 628 CB ARG A 48 -4.566 2.980 -0.447 1.00 0.00 C ATOM 629 CG ARG A 48 -4.709 3.361 1.017 1.00 0.00 C ATOM 630 CD ARG A 48 -5.461 4.672 1.181 1.00 0.00 C ATOM 631 NE ARG A 48 -4.561 5.798 1.413 1.00 0.00 N ATOM 632 CZ ARG A 48 -4.856 7.054 1.096 1.00 0.00 C ATOM 633 NH1 ARG A 48 -6.025 7.343 0.539 1.00 0.00 N ATOM 634 NH2 ARG A 48 -3.984 8.024 1.337 1.00 0.00 N ATOM 0 H ARG A 48 -5.229 0.917 1.072 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.447 1.960 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -3.514 2.794 -0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.874 3.824 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -5.235 2.569 1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.721 3.448 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.056 4.862 0.287 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.157 4.588 2.015 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.655 5.610 1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.699 6.600 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.250 8.308 0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.085 7.806 1.767 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.213 8.988 1.093 1.00 0.00 H new ATOM 648 N ARG A 49 -6.066 1.156 -3.094 1.00 0.00 N ATOM 649 CA ARG A 49 -5.874 0.803 -4.495 1.00 0.00 C ATOM 650 C ARG A 49 -5.443 2.020 -5.311 1.00 0.00 C ATOM 651 O ARG A 49 -5.181 1.913 -6.509 1.00 0.00 O ATOM 652 CB ARG A 49 -7.162 0.216 -5.075 1.00 0.00 C ATOM 653 CG ARG A 49 -7.945 -0.628 -4.083 1.00 0.00 C ATOM 654 CD ARG A 49 -8.781 -1.683 -4.789 1.00 0.00 C ATOM 655 NE ARG A 49 -9.602 -1.110 -5.851 1.00 0.00 N ATOM 656 CZ ARG A 49 -10.636 -0.305 -5.628 1.00 0.00 C ATOM 657 NH1 ARG A 49 -10.972 0.018 -4.387 1.00 0.00 N ATOM 658 NH2 ARG A 49 -11.334 0.178 -6.647 1.00 0.00 N ATOM 0 H ARG A 49 -7.042 1.205 -2.800 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.084 0.054 -4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.796 1.030 -5.427 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.915 -0.395 -5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.256 -1.111 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.594 0.015 -3.489 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.124 -2.444 -5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.423 -2.182 -4.063 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.370 -1.340 -6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.437 -0.351 -3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.766 0.636 -4.218 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.078 -0.068 -7.603 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.127 0.796 -6.475 1.00 0.00 H new ATOM 756 N ASP A 56 -9.424 3.657 -2.117 1.00 0.00 N ATOM 757 CA ASP A 56 -8.729 3.137 -0.945 1.00 0.00 C ATOM 758 C ASP A 56 -8.970 1.640 -0.803 1.00 0.00 C ATOM 759 O ASP A 56 -9.407 0.982 -1.746 1.00 0.00 O ATOM 760 CB ASP A 56 -9.197 3.867 0.316 1.00 0.00 C ATOM 761 CG ASP A 56 -9.184 5.374 0.149 1.00 0.00 C ATOM 762 OD1 ASP A 56 -9.546 5.853 -0.946 1.00 0.00 O ATOM 763 OD2 ASP A 56 -8.812 6.075 1.114 1.00 0.00 O ATOM 0 HA ASP A 56 -7.660 3.307 -1.074 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.206 3.541 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.554 3.591 1.152 1.00 0.00 H new ATOM 768 N ASP A 57 -8.684 1.108 0.378 1.00 0.00 N ATOM 769 CA ASP A 57 -8.880 -0.316 0.637 1.00 0.00 C ATOM 770 C ASP A 57 -8.119 -0.771 1.884 1.00 0.00 C ATOM 771 O ASP A 57 -7.328 -0.016 2.453 1.00 0.00 O ATOM 772 CB ASP A 57 -8.451 -1.139 -0.577 1.00 0.00 C ATOM 773 CG ASP A 57 -9.631 -1.754 -1.303 1.00 0.00 C ATOM 774 OD1 ASP A 57 -10.112 -2.816 -0.856 1.00 0.00 O ATOM 775 OD2 ASP A 57 -10.073 -1.176 -2.318 1.00 0.00 O ATOM 0 H ASP A 57 -8.317 1.636 1.170 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.942 -0.478 0.820 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.895 -0.503 -1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.773 -1.930 -0.256 1.00 0.00 H new ATOM 780 N TYR A 58 -8.377 -2.011 2.303 1.00 0.00 N ATOM 781 CA TYR A 58 -7.740 -2.584 3.491 1.00 0.00 C ATOM 782 C TYR A 58 -6.775 -3.713 3.138 1.00 0.00 C ATOM 783 O TYR A 58 -6.895 -4.351 2.092 1.00 0.00 O ATOM 784 CB TYR A 58 -8.797 -3.104 4.467 1.00 0.00 C ATOM 785 CG TYR A 58 -9.414 -2.025 5.324 1.00 0.00 C ATOM 786 CD1 TYR A 58 -9.761 -0.796 4.782 1.00 0.00 C ATOM 787 CD2 TYR A 58 -9.651 -2.237 6.677 1.00 0.00 C ATOM 788 CE1 TYR A 58 -10.327 0.195 5.561 1.00 0.00 C ATOM 789 CE2 TYR A 58 -10.217 -1.251 7.464 1.00 0.00 C ATOM 790 CZ TYR A 58 -10.553 -0.038 6.902 1.00 0.00 C ATOM 791 OH TYR A 58 -11.117 0.945 7.682 1.00 0.00 O ATOM 0 H TYR A 58 -9.027 -2.642 1.834 1.00 0.00 H new ATOM 0 HA TYR A 58 -7.167 -1.785 3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.585 -3.603 3.903 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.343 -3.855 5.114 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.586 -0.611 3.733 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.389 -3.186 7.120 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.591 1.146 5.123 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.395 -1.430 8.514 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.209 0.620 8.602 1.00 0.00 H new ATOM 801 N CYS A 59 -5.814 -3.941 4.032 1.00 0.00 N ATOM 802 CA CYS A 59 -4.793 -4.972 3.851 1.00 0.00 C ATOM 803 C CYS A 59 -5.153 -6.282 4.556 1.00 0.00 C ATOM 804 O CYS A 59 -5.296 -6.320 5.778 1.00 0.00 O ATOM 805 CB CYS A 59 -3.469 -4.465 4.413 1.00 0.00 C ATOM 806 SG CYS A 59 -2.771 -3.024 3.537 1.00 0.00 S ATOM 0 H CYS A 59 -5.721 -3.416 4.902 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.720 -5.176 2.783 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.612 -4.202 5.461 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.743 -5.277 4.384 1.00 0.00 H new ATOM 811 N ASN A 60 -5.261 -7.358 3.780 1.00 0.00 N ATOM 812 CA ASN A 60 -5.562 -8.686 4.312 1.00 0.00 C ATOM 813 C ASN A 60 -4.613 -9.693 3.684 1.00 0.00 C ATOM 814 O ASN A 60 -3.594 -10.058 4.268 1.00 0.00 O ATOM 815 CB ASN A 60 -7.023 -9.056 4.045 1.00 0.00 C ATOM 816 CG ASN A 60 -7.958 -7.929 4.420 1.00 0.00 C ATOM 817 OD1 ASN A 60 -7.552 -7.141 5.407 1.00 0.00 O flip ATOM 818 ND2 ASN A 60 -9.028 -7.767 3.832 1.00 0.00 N flip ATOM 0 H ASN A 60 -5.143 -7.335 2.767 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.421 -8.691 5.393 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.151 -9.300 2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.283 -9.950 4.613 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.297 -8.400 3.079 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.645 -7.000 4.098 1.00 0.00 H new ATOM 825 N GLY A 61 -4.919 -10.072 2.460 1.00 0.00 N ATOM 826 CA GLY A 61 -4.053 -10.964 1.716 1.00 0.00 C ATOM 827 C GLY A 61 -3.181 -10.141 0.794 1.00 0.00 C ATOM 828 O GLY A 61 -2.763 -10.588 -0.274 1.00 0.00 O ATOM 0 H GLY A 61 -5.758 -9.777 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.435 -11.547 2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.647 -11.673 1.140 1.00 0.00 H new ATOM 832 N ILE A 62 -2.953 -8.903 1.228 1.00 0.00 N ATOM 833 CA ILE A 62 -2.178 -7.919 0.491 1.00 0.00 C ATOM 834 C ILE A 62 -0.693 -8.249 0.392 1.00 0.00 C ATOM 835 O ILE A 62 0.092 -7.914 1.274 1.00 0.00 O ATOM 836 CB ILE A 62 -2.343 -6.527 1.133 1.00 0.00 C ATOM 837 CG1 ILE A 62 -2.166 -6.537 2.659 1.00 0.00 C ATOM 838 CG2 ILE A 62 -3.725 -5.995 0.827 1.00 0.00 C ATOM 839 CD1 ILE A 62 -1.468 -7.734 3.271 1.00 0.00 C ATOM 0 H ILE A 62 -3.310 -8.554 2.118 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.573 -7.930 -0.525 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.561 -5.897 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.610 -5.643 2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.153 -6.454 3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.844 -5.011 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.854 -5.916 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.475 -6.674 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.412 -7.609 4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.028 -8.640 3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.461 -7.816 2.863 1.00 0.00 H new ATOM 851 N SER A 63 -0.304 -8.873 -0.706 1.00 0.00 N ATOM 852 CA SER A 63 1.093 -9.205 -0.923 1.00 0.00 C ATOM 853 C SER A 63 1.741 -8.195 -1.872 1.00 0.00 C ATOM 854 O SER A 63 2.903 -8.341 -2.251 1.00 0.00 O ATOM 855 CB SER A 63 1.218 -10.622 -1.473 1.00 0.00 C ATOM 856 OG SER A 63 0.965 -10.658 -2.866 1.00 0.00 O ATOM 0 H SER A 63 -0.932 -9.159 -1.457 1.00 0.00 H new ATOM 0 HA SER A 63 1.617 -9.159 0.032 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.219 -11.005 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.517 -11.278 -0.957 1.00 0.00 H new ATOM 0 HG SER A 63 1.054 -11.578 -3.191 1.00 0.00 H new ATOM 862 N ALA A 64 0.970 -7.166 -2.241 1.00 0.00 N ATOM 863 CA ALA A 64 1.439 -6.110 -3.136 1.00 0.00 C ATOM 864 C ALA A 64 0.275 -5.510 -3.915 1.00 0.00 C ATOM 865 O ALA A 64 0.371 -4.400 -4.440 1.00 0.00 O ATOM 866 CB ALA A 64 2.497 -6.630 -4.092 1.00 0.00 C ATOM 0 H ALA A 64 0.007 -7.045 -1.927 1.00 0.00 H new ATOM 0 HA ALA A 64 1.889 -5.330 -2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.826 -5.822 -4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.347 -7.007 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.078 -7.436 -4.695 1.00 0.00 H new ATOM 872 N GLY A 65 -0.827 -6.248 -3.978 1.00 0.00 N ATOM 873 CA GLY A 65 -2.000 -5.773 -4.685 1.00 0.00 C ATOM 874 C GLY A 65 -3.114 -5.377 -3.737 1.00 0.00 C ATOM 875 O GLY A 65 -3.065 -4.310 -3.140 1.00 0.00 O ATOM 0 H GLY A 65 -0.929 -7.169 -3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.729 -4.917 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.357 -6.552 -5.359 1.00 0.00 H new ATOM 879 N CYS A 66 -4.104 -6.258 -3.601 1.00 0.00 N ATOM 880 CA CYS A 66 -5.253 -6.048 -2.712 1.00 0.00 C ATOM 881 C CYS A 66 -6.134 -7.288 -2.635 1.00 0.00 C ATOM 882 O CYS A 66 -6.242 -8.050 -3.595 1.00 0.00 O ATOM 883 CB CYS A 66 -6.102 -4.840 -3.137 1.00 0.00 C ATOM 884 SG CYS A 66 -5.488 -3.228 -2.560 1.00 0.00 S ATOM 0 H CYS A 66 -4.135 -7.144 -4.106 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.839 -5.845 -1.724 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.161 -4.821 -4.225 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -7.117 -4.980 -2.765 1.00 0.00 H new ATOM 889 N PRO A 67 -6.785 -7.495 -1.477 1.00 0.00 N ATOM 890 CA PRO A 67 -7.679 -8.635 -1.251 1.00 0.00 C ATOM 891 C PRO A 67 -8.719 -8.782 -2.357 1.00 0.00 C ATOM 892 O PRO A 67 -8.553 -8.253 -3.456 1.00 0.00 O ATOM 893 CB PRO A 67 -8.365 -8.305 0.086 1.00 0.00 C ATOM 894 CG PRO A 67 -8.030 -6.875 0.367 1.00 0.00 C ATOM 895 CD PRO A 67 -6.709 -6.632 -0.292 1.00 0.00 C ATOM 0 HA PRO A 67 -7.133 -9.578 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.443 -8.449 0.019 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.005 -8.956 0.883 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.795 -6.208 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.973 -6.690 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.576 -5.584 -0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.876 -6.904 0.356 1.00 0.00 H new ATOM 903 N ARG A 68 -9.793 -9.505 -2.060 1.00 0.00 N ATOM 904 CA ARG A 68 -10.860 -9.723 -3.030 1.00 0.00 C ATOM 905 C ARG A 68 -11.951 -8.665 -2.895 1.00 0.00 C ATOM 906 O ARG A 68 -12.426 -8.119 -3.891 1.00 0.00 O ATOM 907 CB ARG A 68 -11.463 -11.117 -2.850 1.00 0.00 C ATOM 908 CG ARG A 68 -10.440 -12.238 -2.936 1.00 0.00 C ATOM 909 CD ARG A 68 -11.091 -13.601 -2.761 1.00 0.00 C ATOM 910 NE ARG A 68 -12.329 -13.718 -3.526 1.00 0.00 N ATOM 911 CZ ARG A 68 -13.517 -13.338 -3.067 1.00 0.00 C ATOM 912 NH1 ARG A 68 -13.625 -12.820 -1.851 1.00 0.00 N ATOM 913 NH2 ARG A 68 -14.597 -13.476 -3.823 1.00 0.00 N ATOM 0 H ARG A 68 -9.948 -9.950 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 68 -10.428 -9.645 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -11.962 -11.166 -1.882 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -12.227 -11.274 -3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -9.934 -12.197 -3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -9.678 -12.096 -2.169 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.395 -14.378 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -11.300 -13.770 -1.705 1.00 0.00 H new ATOM 0 HE ARG A 68 -12.279 -14.113 -4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -12.796 -12.713 -1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.537 -12.529 -1.500 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -14.517 -13.874 -4.759 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -15.508 -13.184 -3.469 1.00 0.00 H new ATOM 927 N ASN A 69 -12.346 -8.382 -1.658 1.00 0.00 N ATOM 928 CA ASN A 69 -13.385 -7.392 -1.396 1.00 0.00 C ATOM 929 C ASN A 69 -12.780 -6.017 -1.131 1.00 0.00 C ATOM 930 O ASN A 69 -11.758 -5.895 -0.457 1.00 0.00 O ATOM 931 CB ASN A 69 -14.239 -7.824 -0.202 1.00 0.00 C ATOM 932 CG ASN A 69 -15.083 -9.046 -0.508 1.00 0.00 C ATOM 933 OD1 ASN A 69 -14.945 -9.662 -1.564 1.00 0.00 O ATOM 934 ND2 ASN A 69 -15.966 -9.402 0.419 1.00 0.00 N ATOM 0 H ASN A 69 -11.963 -8.823 -0.822 1.00 0.00 H new ATOM 0 HA ASN A 69 -14.015 -7.324 -2.283 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.590 -8.037 0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -14.890 -7.001 0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -16.563 -10.215 0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -16.047 -8.862 1.281 1.00 0.00 H new ATOM 941 N PRO A 70 -13.414 -4.961 -1.663 1.00 0.00 N ATOM 942 CA PRO A 70 -12.946 -3.583 -1.489 1.00 0.00 C ATOM 943 C PRO A 70 -13.209 -3.057 -0.081 1.00 0.00 C ATOM 944 O PRO A 70 -14.035 -3.603 0.650 1.00 0.00 O ATOM 945 CB PRO A 70 -13.769 -2.803 -2.514 1.00 0.00 C ATOM 946 CG PRO A 70 -15.026 -3.588 -2.663 1.00 0.00 C ATOM 947 CD PRO A 70 -14.641 -5.032 -2.478 1.00 0.00 C ATOM 0 HA PRO A 70 -11.869 -3.494 -1.629 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -13.973 -1.789 -2.170 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.241 -2.717 -3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.766 -3.284 -1.922 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -15.472 -3.426 -3.644 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -15.426 -5.595 -1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -14.460 -5.524 -3.433 1.00 0.00 H new ATOM 955 N PHE A 71 -12.500 -1.997 0.296 1.00 0.00 N ATOM 956 CA PHE A 71 -12.662 -1.405 1.620 1.00 0.00 C ATOM 957 C PHE A 71 -12.593 0.119 1.560 1.00 0.00 C ATOM 958 O PHE A 71 -12.544 0.786 2.593 1.00 0.00 O ATOM 959 CB PHE A 71 -11.588 -1.936 2.571 1.00 0.00 C ATOM 960 CG PHE A 71 -11.612 -3.430 2.728 1.00 0.00 C ATOM 961 CD1 PHE A 71 -10.930 -4.244 1.838 1.00 0.00 C ATOM 962 CD2 PHE A 71 -12.318 -4.019 3.764 1.00 0.00 C ATOM 963 CE1 PHE A 71 -10.951 -5.619 1.979 1.00 0.00 C ATOM 964 CE2 PHE A 71 -12.342 -5.393 3.911 1.00 0.00 C ATOM 965 CZ PHE A 71 -11.658 -6.194 3.017 1.00 0.00 C ATOM 0 H PHE A 71 -11.810 -1.532 -0.294 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.647 -1.687 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -10.607 -1.633 2.204 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -11.719 -1.474 3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -10.376 -3.799 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -12.856 -3.398 4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.415 -6.243 1.279 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -12.895 -5.840 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.676 -7.268 3.130 1.00 0.00 H new ATOM 975 N HIS A 72 -12.589 0.667 0.348 1.00 0.00 N ATOM 976 CA HIS A 72 -12.526 2.112 0.168 1.00 0.00 C ATOM 977 C HIS A 72 -13.814 2.777 0.643 1.00 0.00 C ATOM 978 O HIS A 72 -13.789 3.650 1.511 1.00 0.00 O ATOM 979 CB HIS A 72 -12.274 2.456 -1.301 1.00 0.00 C ATOM 980 CG HIS A 72 -12.603 3.875 -1.646 1.00 0.00 C ATOM 981 ND1 HIS A 72 -12.264 5.036 -1.036 1.00 0.00 N flip ATOM 982 CD2 HIS A 72 -13.373 4.226 -2.735 1.00 0.00 C flip ATOM 983 CE1 HIS A 72 -12.830 6.056 -1.761 1.00 0.00 C flip ATOM 984 NE2 HIS A 72 -13.492 5.541 -2.781 1.00 0.00 N flip ATOM 0 H HIS A 72 -12.629 0.134 -0.520 1.00 0.00 H new ATOM 0 HA HIS A 72 -11.699 2.490 0.769 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.227 2.267 -1.536 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -12.867 1.791 -1.929 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.810 3.534 -3.440 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.747 7.109 -1.534 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -14.008 6.069 -3.485 1.00 0.00 H new ATOM 993 N ALA A 73 -14.937 2.359 0.069 1.00 0.00 N ATOM 994 CA ALA A 73 -16.234 2.916 0.435 1.00 0.00 C ATOM 995 C ALA A 73 -17.365 2.189 -0.284 1.00 0.00 C ATOM 996 O ALA A 73 -18.348 1.813 0.389 1.00 0.00 O ATOM 997 CB ALA A 73 -16.277 4.404 0.121 1.00 0.00 C ATOM 998 OXT ALA A 73 -17.260 2.002 -1.515 1.00 0.00 O ATOM 0 H ALA A 73 -14.975 1.637 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 73 -16.372 2.778 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -17.251 4.807 0.399 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -15.498 4.917 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -16.113 4.556 -0.946 1.00 0.00 H new