USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 397 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 53 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -174:sc= 0.726 (180deg=0) USER MOD Set 2.2: A 26 GLN : amide:sc= 0.656 K(o=1.4,f=-2.9) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0636 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -166:sc= 1.22 (180deg=0.803) USER MOD Single : A 11 THR OG1 : rot -166:sc= 1.05 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.137 K(o=0.14,f=-0.51) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -46:sc= 0.916 USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= 1.2 (180deg=0.795) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.059 USER MOD Single : A 40 ASN : amide:sc= 0.97 K(o=0.97,f=-0.0056) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= -1.11 (180deg=-2.48!) USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0.0146 (180deg=-0.525) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -139:sc= 0.00696 USER MOD Single : A 63 SER OG : rot -28:sc= 0.686 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= -1.59! (180deg=-1.66!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.557 -5.445 -12.876 1.00 0.00 N ATOM 2 CA GLY A 1 1.353 -5.128 -11.432 1.00 0.00 C ATOM 3 C GLY A 1 1.629 -3.669 -11.115 1.00 0.00 C ATOM 4 O GLY A 1 1.698 -2.828 -12.020 1.00 0.00 O ATOM 0 H1 GLY A 1 0.693 -5.876 -13.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.770 -4.570 -13.397 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.351 -6.110 -12.977 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.328 -5.370 -11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.007 -5.758 -10.829 1.00 0.00 H new ATOM 7 N SER A 2 1.785 -3.365 -9.839 1.00 0.00 N ATOM 8 CA SER A 2 2.061 -2.012 -9.405 1.00 0.00 C ATOM 9 C SER A 2 3.518 -1.651 -9.683 1.00 0.00 C ATOM 10 O SER A 2 4.438 -2.239 -9.102 1.00 0.00 O ATOM 11 CB SER A 2 1.742 -1.866 -7.919 1.00 0.00 C ATOM 12 OG SER A 2 0.396 -2.240 -7.652 1.00 0.00 O ATOM 0 H SER A 2 1.724 -4.045 -9.081 1.00 0.00 H new ATOM 0 HA SER A 2 1.428 -1.324 -9.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.420 -2.488 -7.334 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.906 -0.835 -7.607 1.00 0.00 H new ATOM 0 HG SER A 2 0.213 -2.141 -6.694 1.00 0.00 H new ATOM 18 N GLY A 3 3.721 -0.704 -10.582 1.00 0.00 N ATOM 19 CA GLY A 3 5.058 -0.300 -10.945 1.00 0.00 C ATOM 20 C GLY A 3 5.540 -1.011 -12.192 1.00 0.00 C ATOM 21 O GLY A 3 5.007 -2.062 -12.561 1.00 0.00 O ATOM 0 H GLY A 3 2.977 -0.205 -11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 3 5.080 0.777 -11.109 1.00 0.00 H new ATOM 0 HA3 GLY A 3 5.738 -0.511 -10.120 1.00 0.00 H new ATOM 25 N LYS A 4 6.540 -0.451 -12.844 1.00 0.00 N ATOM 26 CA LYS A 4 7.086 -1.046 -14.056 1.00 0.00 C ATOM 27 C LYS A 4 8.436 -1.690 -13.782 1.00 0.00 C ATOM 28 O LYS A 4 9.190 -2.001 -14.704 1.00 0.00 O ATOM 29 CB LYS A 4 7.195 -0.013 -15.202 1.00 0.00 C ATOM 30 CG LYS A 4 7.898 1.296 -14.842 1.00 0.00 C ATOM 31 CD LYS A 4 6.931 2.303 -14.232 1.00 0.00 C ATOM 32 CE LYS A 4 7.598 3.651 -14.001 1.00 0.00 C ATOM 33 NZ LYS A 4 6.640 4.659 -13.483 1.00 0.00 N ATOM 0 H LYS A 4 6.994 0.416 -12.557 1.00 0.00 H new ATOM 0 HA LYS A 4 6.392 -1.822 -14.379 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.727 -0.474 -16.034 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.190 0.219 -15.555 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.706 1.094 -14.138 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.353 1.723 -15.736 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.072 2.429 -14.892 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.552 1.917 -13.286 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.419 3.534 -13.294 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.030 4.007 -14.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.132 5.564 -13.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.869 4.790 -14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.246 4.331 -12.578 1.00 0.00 H new ATOM 47 N GLY A 5 8.727 -1.898 -12.510 1.00 0.00 N ATOM 48 CA GLY A 5 9.965 -2.527 -12.133 1.00 0.00 C ATOM 49 C GLY A 5 9.918 -4.010 -12.316 1.00 0.00 C ATOM 50 O GLY A 5 8.833 -4.595 -12.417 1.00 0.00 O ATOM 0 H GLY A 5 8.122 -1.640 -11.730 1.00 0.00 H new ATOM 0 HA2 GLY A 5 10.778 -2.114 -12.730 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.186 -2.297 -11.091 1.00 0.00 H new ATOM 54 N LYS A 6 11.093 -4.618 -12.357 1.00 0.00 N ATOM 55 CA LYS A 6 11.228 -6.051 -12.511 1.00 0.00 C ATOM 56 C LYS A 6 10.677 -6.483 -13.869 1.00 0.00 C ATOM 57 O LYS A 6 9.565 -7.016 -13.977 1.00 0.00 O ATOM 58 CB LYS A 6 10.531 -6.791 -11.352 1.00 0.00 C ATOM 59 CG LYS A 6 11.185 -8.103 -10.970 1.00 0.00 C ATOM 60 CD LYS A 6 11.046 -9.141 -12.059 1.00 0.00 C ATOM 61 CE LYS A 6 11.926 -10.325 -11.776 1.00 0.00 C ATOM 62 NZ LYS A 6 11.732 -11.411 -12.766 1.00 0.00 N ATOM 0 H LYS A 6 11.983 -4.125 -12.284 1.00 0.00 H new ATOM 0 HA LYS A 6 12.285 -6.316 -12.475 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.513 -6.139 -10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.494 -6.982 -11.629 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.242 -7.935 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.735 -8.479 -10.051 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.007 -9.462 -12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.313 -8.704 -13.021 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.970 -10.011 -11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.714 -10.704 -10.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.358 -12.208 -12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 10.742 -11.730 -12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.959 -11.058 -13.717 1.00 0.00 H new ATOM 76 N GLY A 7 11.447 -6.204 -14.899 1.00 0.00 N ATOM 77 CA GLY A 7 11.046 -6.544 -16.236 1.00 0.00 C ATOM 78 C GLY A 7 11.631 -7.856 -16.692 1.00 0.00 C ATOM 79 O GLY A 7 11.744 -8.798 -15.911 1.00 0.00 O ATOM 0 H GLY A 7 12.354 -5.742 -14.830 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.958 -6.597 -16.284 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.357 -5.753 -16.919 1.00 0.00 H new ATOM 83 N GLU A 8 12.028 -7.911 -17.947 1.00 0.00 N ATOM 84 CA GLU A 8 12.567 -9.131 -18.528 1.00 0.00 C ATOM 85 C GLU A 8 14.089 -9.138 -18.502 1.00 0.00 C ATOM 86 O GLU A 8 14.721 -10.011 -19.093 1.00 0.00 O ATOM 87 CB GLU A 8 12.081 -9.282 -19.964 1.00 0.00 C ATOM 88 CG GLU A 8 10.574 -9.259 -20.104 1.00 0.00 C ATOM 89 CD GLU A 8 10.128 -9.386 -21.534 1.00 0.00 C ATOM 90 OE1 GLU A 8 9.723 -10.491 -21.935 1.00 0.00 O ATOM 91 OE2 GLU A 8 10.176 -8.383 -22.266 1.00 0.00 O ATOM 0 H GLU A 8 11.988 -7.121 -18.591 1.00 0.00 H new ATOM 0 HA GLU A 8 12.213 -9.969 -17.928 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.505 -8.480 -20.568 1.00 0.00 H new ATOM 0 HB3 GLU A 8 12.460 -10.220 -20.369 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.145 -10.073 -19.519 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.187 -8.329 -19.687 1.00 0.00 H new ATOM 98 N LYS A 9 14.680 -8.172 -17.823 1.00 0.00 N ATOM 99 CA LYS A 9 16.130 -8.092 -17.759 1.00 0.00 C ATOM 100 C LYS A 9 16.673 -8.388 -16.373 1.00 0.00 C ATOM 101 O LYS A 9 17.805 -8.039 -16.064 1.00 0.00 O ATOM 102 CB LYS A 9 16.646 -6.752 -18.278 1.00 0.00 C ATOM 103 CG LYS A 9 16.674 -6.673 -19.800 1.00 0.00 C ATOM 104 CD LYS A 9 17.729 -5.692 -20.300 1.00 0.00 C ATOM 105 CE LYS A 9 17.288 -4.245 -20.162 1.00 0.00 C ATOM 106 NZ LYS A 9 16.209 -3.893 -21.121 1.00 0.00 N ATOM 0 H LYS A 9 14.187 -7.439 -17.313 1.00 0.00 H new ATOM 0 HA LYS A 9 16.506 -8.874 -18.419 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.016 -5.952 -17.890 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.651 -6.582 -17.892 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.875 -7.662 -20.211 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.693 -6.369 -20.166 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.653 -5.842 -19.742 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.950 -5.903 -21.346 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.939 -4.069 -19.145 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.144 -3.589 -20.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 16.104 -2.859 -21.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.453 -4.253 -22.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.314 -4.320 -20.809 1.00 0.00 H new ATOM 120 N CYS A 10 15.871 -9.031 -15.546 1.00 0.00 N ATOM 121 CA CYS A 10 16.336 -9.462 -14.236 1.00 0.00 C ATOM 122 C CYS A 10 17.095 -10.771 -14.364 1.00 0.00 C ATOM 123 O CYS A 10 16.964 -11.481 -15.366 1.00 0.00 O ATOM 124 CB CYS A 10 15.178 -9.629 -13.251 1.00 0.00 C ATOM 125 SG CYS A 10 14.644 -8.108 -12.444 1.00 0.00 S ATOM 0 H CYS A 10 14.900 -9.267 -15.753 1.00 0.00 H new ATOM 0 HA CYS A 10 16.997 -8.688 -13.846 1.00 0.00 H new ATOM 0 HB2 CYS A 10 14.328 -10.060 -13.781 1.00 0.00 H new ATOM 0 HB3 CYS A 10 15.472 -10.346 -12.485 1.00 0.00 H new ATOM 130 N THR A 11 17.868 -11.097 -13.363 1.00 0.00 N ATOM 131 CA THR A 11 18.662 -12.299 -13.387 1.00 0.00 C ATOM 132 C THR A 11 17.995 -13.397 -12.576 1.00 0.00 C ATOM 133 O THR A 11 16.897 -13.212 -12.043 1.00 0.00 O ATOM 134 CB THR A 11 20.047 -12.036 -12.794 1.00 0.00 C ATOM 135 OG1 THR A 11 19.911 -11.626 -11.428 1.00 0.00 O ATOM 136 CG2 THR A 11 20.778 -10.967 -13.578 1.00 0.00 C ATOM 0 H THR A 11 17.966 -10.542 -12.513 1.00 0.00 H new ATOM 0 HA THR A 11 18.756 -12.613 -14.427 1.00 0.00 H new ATOM 0 HB THR A 11 20.628 -12.957 -12.848 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.757 -11.242 -11.116 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.760 -10.799 -13.136 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.896 -11.291 -14.612 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.205 -10.040 -13.551 1.00 0.00 H new ATOM 144 N SER A 12 18.653 -14.534 -12.483 1.00 0.00 N ATOM 145 CA SER A 12 18.169 -15.622 -11.667 1.00 0.00 C ATOM 146 C SER A 12 18.545 -15.349 -10.217 1.00 0.00 C ATOM 147 O SER A 12 17.835 -15.725 -9.286 1.00 0.00 O ATOM 148 CB SER A 12 18.790 -16.936 -12.132 1.00 0.00 C ATOM 149 OG SER A 12 18.618 -17.110 -13.535 1.00 0.00 O ATOM 0 H SER A 12 19.530 -14.727 -12.967 1.00 0.00 H new ATOM 0 HA SER A 12 17.086 -15.701 -11.757 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.852 -16.948 -11.887 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.331 -17.769 -11.599 1.00 0.00 H new ATOM 0 HG SER A 12 19.025 -17.957 -13.812 1.00 0.00 H new ATOM 155 N ALA A 13 19.663 -14.652 -10.049 1.00 0.00 N ATOM 156 CA ALA A 13 20.176 -14.304 -8.741 1.00 0.00 C ATOM 157 C ALA A 13 19.289 -13.270 -8.054 1.00 0.00 C ATOM 158 O ALA A 13 19.182 -13.251 -6.828 1.00 0.00 O ATOM 159 CB ALA A 13 21.597 -13.786 -8.871 1.00 0.00 C ATOM 0 H ALA A 13 20.236 -14.314 -10.822 1.00 0.00 H new ATOM 0 HA ALA A 13 20.176 -15.200 -8.121 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.981 -13.525 -7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.227 -14.558 -9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.605 -12.902 -9.509 1.00 0.00 H new ATOM 165 N CYS A 14 18.651 -12.418 -8.845 1.00 0.00 N ATOM 166 CA CYS A 14 17.753 -11.402 -8.302 1.00 0.00 C ATOM 167 C CYS A 14 16.469 -12.044 -7.780 1.00 0.00 C ATOM 168 O CYS A 14 15.779 -11.486 -6.932 1.00 0.00 O ATOM 169 CB CYS A 14 17.426 -10.336 -9.363 1.00 0.00 C ATOM 170 SG CYS A 14 16.308 -9.012 -8.798 1.00 0.00 S ATOM 0 H CYS A 14 18.736 -12.408 -9.861 1.00 0.00 H new ATOM 0 HA CYS A 14 18.260 -10.913 -7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.358 -9.885 -9.703 1.00 0.00 H new ATOM 0 HB3 CYS A 14 16.977 -10.828 -10.226 1.00 0.00 H new ATOM 175 N ARG A 15 16.154 -13.230 -8.288 1.00 0.00 N ATOM 176 CA ARG A 15 14.960 -13.945 -7.851 1.00 0.00 C ATOM 177 C ARG A 15 15.259 -14.789 -6.626 1.00 0.00 C ATOM 178 O ARG A 15 14.371 -15.432 -6.070 1.00 0.00 O ATOM 179 CB ARG A 15 14.410 -14.840 -8.957 1.00 0.00 C ATOM 180 CG ARG A 15 14.130 -14.126 -10.261 1.00 0.00 C ATOM 181 CD ARG A 15 13.158 -14.922 -11.115 1.00 0.00 C ATOM 182 NE ARG A 15 11.806 -14.935 -10.538 1.00 0.00 N ATOM 183 CZ ARG A 15 10.824 -15.758 -10.932 1.00 0.00 C ATOM 184 NH1 ARG A 15 11.038 -16.638 -11.902 1.00 0.00 N ATOM 185 NH2 ARG A 15 9.626 -15.687 -10.359 1.00 0.00 N ATOM 0 H ARG A 15 16.704 -13.714 -8.998 1.00 0.00 H new ATOM 0 HA ARG A 15 14.208 -13.196 -7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.121 -15.644 -9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.488 -15.304 -8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.717 -13.138 -10.058 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.062 -13.977 -10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.121 -14.495 -12.117 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.519 -15.945 -11.218 1.00 0.00 H new ATOM 0 HE ARG A 15 11.602 -14.274 -9.788 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.952 -16.690 -12.351 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.288 -17.262 -12.199 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.454 -15.006 -9.619 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.879 -16.313 -10.659 1.00 0.00 H new ATOM 199 N SER A 16 16.505 -14.783 -6.209 1.00 0.00 N ATOM 200 CA SER A 16 16.923 -15.554 -5.065 1.00 0.00 C ATOM 201 C SER A 16 16.565 -14.834 -3.765 1.00 0.00 C ATOM 202 O SER A 16 16.178 -13.660 -3.777 1.00 0.00 O ATOM 203 CB SER A 16 18.423 -15.801 -5.143 1.00 0.00 C ATOM 204 OG SER A 16 18.770 -16.423 -6.372 1.00 0.00 O ATOM 0 H SER A 16 17.251 -14.247 -6.651 1.00 0.00 H new ATOM 0 HA SER A 16 16.400 -16.510 -5.071 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.957 -14.856 -5.045 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.736 -16.431 -4.311 1.00 0.00 H new ATOM 0 HG SER A 16 19.738 -16.571 -6.402 1.00 0.00 H new ATOM 210 N GLU A 17 16.690 -15.535 -2.654 1.00 0.00 N ATOM 211 CA GLU A 17 16.395 -14.967 -1.355 1.00 0.00 C ATOM 212 C GLU A 17 17.469 -15.363 -0.332 1.00 0.00 C ATOM 213 O GLU A 17 17.567 -16.528 0.059 1.00 0.00 O ATOM 214 CB GLU A 17 15.002 -15.400 -0.882 1.00 0.00 C ATOM 215 CG GLU A 17 14.767 -16.901 -0.934 1.00 0.00 C ATOM 216 CD GLU A 17 13.420 -17.290 -0.388 1.00 0.00 C ATOM 217 OE1 GLU A 17 12.485 -17.477 -1.185 1.00 0.00 O ATOM 218 OE2 GLU A 17 13.289 -17.407 0.845 1.00 0.00 O ATOM 0 H GLU A 17 16.997 -16.507 -2.627 1.00 0.00 H new ATOM 0 HA GLU A 17 16.401 -13.881 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.854 -15.055 0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.251 -14.904 -1.497 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.851 -17.244 -1.965 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.547 -17.408 -0.366 1.00 0.00 H new ATOM 225 N PRO A 18 18.316 -14.408 0.091 1.00 0.00 N ATOM 226 CA PRO A 18 18.276 -13.014 -0.387 1.00 0.00 C ATOM 227 C PRO A 18 18.836 -12.880 -1.804 1.00 0.00 C ATOM 228 O PRO A 18 19.278 -13.874 -2.400 1.00 0.00 O ATOM 229 CB PRO A 18 19.179 -12.286 0.608 1.00 0.00 C ATOM 230 CG PRO A 18 20.146 -13.321 1.059 1.00 0.00 C ATOM 231 CD PRO A 18 19.389 -14.618 1.080 1.00 0.00 C ATOM 0 HA PRO A 18 17.261 -12.620 -0.437 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.689 -11.444 0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 18 18.606 -11.886 1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.999 -13.379 0.383 1.00 0.00 H new ATOM 0 HG3 PRO A 18 20.539 -13.083 2.048 1.00 0.00 H new ATOM 0 HD2 PRO A 18 20.027 -15.459 0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.986 -14.831 2.070 1.00 0.00 H new ATOM 239 N CYS A 19 18.820 -11.661 -2.336 1.00 0.00 N ATOM 240 CA CYS A 19 19.314 -11.405 -3.681 1.00 0.00 C ATOM 241 C CYS A 19 20.778 -11.823 -3.788 1.00 0.00 C ATOM 242 O CYS A 19 21.569 -11.591 -2.870 1.00 0.00 O ATOM 243 CB CYS A 19 19.148 -9.931 -4.043 1.00 0.00 C ATOM 244 SG CYS A 19 19.389 -9.570 -5.796 1.00 0.00 S ATOM 0 H CYS A 19 18.469 -10.834 -1.853 1.00 0.00 H new ATOM 0 HA CYS A 19 18.729 -11.995 -4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.149 -9.606 -3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 19 19.858 -9.343 -3.461 1.00 0.00 H new ATOM 249 N GLN A 20 21.134 -12.441 -4.897 1.00 0.00 N ATOM 250 CA GLN A 20 22.472 -12.990 -5.064 1.00 0.00 C ATOM 251 C GLN A 20 23.263 -12.280 -6.158 1.00 0.00 C ATOM 252 O GLN A 20 24.197 -12.850 -6.721 1.00 0.00 O ATOM 253 CB GLN A 20 22.369 -14.477 -5.372 1.00 0.00 C ATOM 254 CG GLN A 20 21.716 -15.277 -4.262 1.00 0.00 C ATOM 255 CD GLN A 20 22.523 -15.279 -2.981 1.00 0.00 C ATOM 256 OE1 GLN A 20 23.756 -15.244 -3.002 1.00 0.00 O ATOM 257 NE2 GLN A 20 21.836 -15.299 -1.862 1.00 0.00 N ATOM 0 H GLN A 20 20.518 -12.577 -5.698 1.00 0.00 H new ATOM 0 HA GLN A 20 23.014 -12.834 -4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.799 -14.612 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 20 23.368 -14.873 -5.556 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.726 -14.868 -4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.574 -16.304 -4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.817 -15.328 -1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.322 -15.286 -0.965 1.00 0.00 H new ATOM 266 N CYS A 21 22.909 -11.045 -6.446 1.00 0.00 N ATOM 267 CA CYS A 21 23.620 -10.265 -7.458 1.00 0.00 C ATOM 268 C CYS A 21 24.665 -9.364 -6.804 1.00 0.00 C ATOM 269 O CYS A 21 24.991 -8.291 -7.324 1.00 0.00 O ATOM 270 CB CYS A 21 22.644 -9.413 -8.243 1.00 0.00 C ATOM 271 SG CYS A 21 21.327 -10.329 -9.053 1.00 0.00 S ATOM 0 H CYS A 21 22.135 -10.553 -5.999 1.00 0.00 H new ATOM 0 HA CYS A 21 24.120 -10.959 -8.133 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.198 -8.682 -7.569 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.197 -8.854 -8.998 1.00 0.00 H new ATOM 276 N GLY A 22 25.186 -9.811 -5.670 1.00 0.00 N ATOM 277 CA GLY A 22 26.177 -9.046 -4.937 1.00 0.00 C ATOM 278 C GLY A 22 27.436 -8.779 -5.741 1.00 0.00 C ATOM 279 O GLY A 22 27.858 -7.632 -5.876 1.00 0.00 O ATOM 0 H GLY A 22 24.936 -10.701 -5.239 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.740 -8.096 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.442 -9.583 -4.026 1.00 0.00 H new ATOM 283 N SER A 23 28.031 -9.828 -6.276 1.00 0.00 N ATOM 284 CA SER A 23 29.256 -9.694 -7.050 1.00 0.00 C ATOM 285 C SER A 23 29.016 -10.002 -8.531 1.00 0.00 C ATOM 286 O SER A 23 29.909 -9.824 -9.367 1.00 0.00 O ATOM 287 CB SER A 23 30.327 -10.627 -6.486 1.00 0.00 C ATOM 288 OG SER A 23 30.457 -10.458 -5.081 1.00 0.00 O ATOM 0 H SER A 23 27.688 -10.785 -6.190 1.00 0.00 H new ATOM 0 HA SER A 23 29.596 -8.661 -6.975 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.068 -11.662 -6.710 1.00 0.00 H new ATOM 0 HB3 SER A 23 31.282 -10.426 -6.971 1.00 0.00 H new ATOM 0 HG SER A 23 31.146 -11.066 -4.741 1.00 0.00 H new ATOM 294 N LYS A 24 27.819 -10.466 -8.849 1.00 0.00 N ATOM 295 CA LYS A 24 27.477 -10.811 -10.218 1.00 0.00 C ATOM 296 C LYS A 24 26.058 -10.349 -10.546 1.00 0.00 C ATOM 297 O LYS A 24 25.086 -11.072 -10.309 1.00 0.00 O ATOM 298 CB LYS A 24 27.602 -12.324 -10.425 1.00 0.00 C ATOM 299 CG LYS A 24 28.378 -12.728 -11.671 1.00 0.00 C ATOM 300 CD LYS A 24 27.691 -12.269 -12.944 1.00 0.00 C ATOM 301 CE LYS A 24 28.472 -12.703 -14.175 1.00 0.00 C ATOM 302 NZ LYS A 24 27.796 -12.299 -15.429 1.00 0.00 N ATOM 0 H LYS A 24 27.067 -10.613 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 24 28.170 -10.304 -10.889 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.089 -12.759 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.602 -12.755 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.381 -12.303 -11.627 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.492 -13.812 -11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.683 -12.681 -12.985 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.592 -11.184 -12.936 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.470 -12.267 -14.144 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.597 -13.786 -14.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.305 -12.700 -16.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 26.817 -12.651 -15.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.790 -11.262 -15.502 1.00 0.00 H new ATOM 316 N CYS A 25 25.945 -9.145 -11.072 1.00 0.00 N ATOM 317 CA CYS A 25 24.655 -8.581 -11.419 1.00 0.00 C ATOM 318 C CYS A 25 24.570 -8.298 -12.910 1.00 0.00 C ATOM 319 O CYS A 25 25.448 -7.650 -13.486 1.00 0.00 O ATOM 320 CB CYS A 25 24.406 -7.294 -10.633 1.00 0.00 C ATOM 321 SG CYS A 25 22.765 -6.574 -10.887 1.00 0.00 S ATOM 0 H CYS A 25 26.738 -8.534 -11.270 1.00 0.00 H new ATOM 0 HA CYS A 25 23.889 -9.311 -11.159 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.540 -7.499 -9.571 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.160 -6.559 -10.913 1.00 0.00 H new ATOM 326 N GLN A 26 23.520 -8.794 -13.529 1.00 0.00 N ATOM 327 CA GLN A 26 23.284 -8.575 -14.947 1.00 0.00 C ATOM 328 C GLN A 26 21.897 -8.018 -15.176 1.00 0.00 C ATOM 329 O GLN A 26 21.391 -8.034 -16.298 1.00 0.00 O ATOM 330 CB GLN A 26 23.462 -9.866 -15.739 1.00 0.00 C ATOM 331 CG GLN A 26 24.905 -10.227 -16.003 1.00 0.00 C ATOM 332 CD GLN A 26 25.040 -11.464 -16.854 1.00 0.00 C ATOM 333 OE1 GLN A 26 25.133 -12.578 -16.340 1.00 0.00 O ATOM 334 NE2 GLN A 26 25.052 -11.283 -18.158 1.00 0.00 N ATOM 0 H GLN A 26 22.806 -9.359 -13.069 1.00 0.00 H new ATOM 0 HA GLN A 26 24.019 -7.851 -15.298 1.00 0.00 H new ATOM 0 HB2 GLN A 26 22.987 -10.683 -15.196 1.00 0.00 H new ATOM 0 HB3 GLN A 26 22.941 -9.771 -16.692 1.00 0.00 H new ATOM 0 HG2 GLN A 26 25.401 -9.392 -16.498 1.00 0.00 H new ATOM 0 HG3 GLN A 26 25.417 -10.384 -15.054 1.00 0.00 H new ATOM 0 HE21 GLN A 26 24.972 -10.342 -18.543 1.00 0.00 H new ATOM 0 HE22 GLN A 26 25.141 -12.084 -18.783 1.00 0.00 H new ATOM 343 N CYS A 27 21.284 -7.527 -14.115 1.00 0.00 N ATOM 344 CA CYS A 27 19.963 -6.962 -14.219 1.00 0.00 C ATOM 345 C CYS A 27 20.004 -5.654 -14.979 1.00 0.00 C ATOM 346 O CYS A 27 20.865 -4.796 -14.735 1.00 0.00 O ATOM 347 CB CYS A 27 19.334 -6.796 -12.843 1.00 0.00 C ATOM 348 SG CYS A 27 19.002 -8.371 -12.024 1.00 0.00 S ATOM 0 H CYS A 27 21.683 -7.511 -13.176 1.00 0.00 H new ATOM 0 HA CYS A 27 19.333 -7.651 -14.781 1.00 0.00 H new ATOM 0 HB2 CYS A 27 19.997 -6.200 -12.216 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.402 -6.240 -12.941 1.00 0.00 H new ATOM 353 N GLY A 28 19.101 -5.527 -15.923 1.00 0.00 N ATOM 354 CA GLY A 28 19.067 -4.369 -16.773 1.00 0.00 C ATOM 355 C GLY A 28 18.309 -3.202 -16.179 1.00 0.00 C ATOM 356 O GLY A 28 17.983 -3.193 -14.995 1.00 0.00 O ATOM 0 H GLY A 28 18.377 -6.219 -16.119 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.089 -4.056 -16.987 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.611 -4.641 -17.725 1.00 0.00 H new ATOM 360 N GLU A 29 18.026 -2.226 -17.030 1.00 0.00 N ATOM 361 CA GLU A 29 17.311 -1.000 -16.664 1.00 0.00 C ATOM 362 C GLU A 29 15.969 -1.295 -15.975 1.00 0.00 C ATOM 363 O GLU A 29 15.478 -0.493 -15.186 1.00 0.00 O ATOM 364 CB GLU A 29 17.065 -0.180 -17.932 1.00 0.00 C ATOM 365 CG GLU A 29 16.162 -0.891 -18.935 1.00 0.00 C ATOM 366 CD GLU A 29 16.280 -0.354 -20.336 1.00 0.00 C ATOM 367 OE1 GLU A 29 16.563 -1.153 -21.251 1.00 0.00 O ATOM 368 OE2 GLU A 29 16.083 0.862 -20.538 1.00 0.00 O ATOM 0 H GLU A 29 18.290 -2.260 -18.015 1.00 0.00 H new ATOM 0 HA GLU A 29 17.926 -0.446 -15.955 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.615 0.775 -17.659 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.021 0.042 -18.406 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.404 -1.954 -18.940 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.127 -0.802 -18.606 1.00 0.00 H new ATOM 375 N GLY A 30 15.393 -2.451 -16.272 1.00 0.00 N ATOM 376 CA GLY A 30 14.105 -2.794 -15.720 1.00 0.00 C ATOM 377 C GLY A 30 14.192 -3.530 -14.401 1.00 0.00 C ATOM 378 O GLY A 30 13.535 -4.551 -14.218 1.00 0.00 O ATOM 0 H GLY A 30 15.798 -3.157 -16.887 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.523 -1.883 -15.581 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.564 -3.411 -16.437 1.00 0.00 H new ATOM 382 N CYS A 31 14.995 -3.028 -13.485 1.00 0.00 N ATOM 383 CA CYS A 31 15.098 -3.630 -12.168 1.00 0.00 C ATOM 384 C CYS A 31 14.707 -2.617 -11.104 1.00 0.00 C ATOM 385 O CYS A 31 15.054 -1.438 -11.192 1.00 0.00 O ATOM 386 CB CYS A 31 16.508 -4.174 -11.898 1.00 0.00 C ATOM 387 SG CYS A 31 16.654 -5.104 -10.339 1.00 0.00 S ATOM 0 H CYS A 31 15.585 -2.208 -13.626 1.00 0.00 H new ATOM 0 HA CYS A 31 14.411 -4.476 -12.131 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.802 -4.821 -12.725 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.211 -3.341 -11.880 1.00 0.00 H new ATOM 392 N THR A 32 13.978 -3.075 -10.112 1.00 0.00 N ATOM 393 CA THR A 32 13.515 -2.217 -9.043 1.00 0.00 C ATOM 394 C THR A 32 13.991 -2.760 -7.700 1.00 0.00 C ATOM 395 O THR A 32 13.467 -2.404 -6.639 1.00 0.00 O ATOM 396 CB THR A 32 11.964 -2.104 -9.059 1.00 0.00 C ATOM 397 OG1 THR A 32 11.510 -1.218 -8.028 1.00 0.00 O ATOM 398 CG2 THR A 32 11.312 -3.471 -8.880 1.00 0.00 C ATOM 0 H THR A 32 13.690 -4.049 -10.022 1.00 0.00 H new ATOM 0 HA THR A 32 13.930 -1.220 -9.193 1.00 0.00 H new ATOM 0 HB THR A 32 11.674 -1.702 -10.030 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.970 -1.429 -7.189 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.228 -3.362 -8.895 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.622 -4.131 -9.691 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.620 -3.899 -7.926 1.00 0.00 H new ATOM 406 N CYS A 33 14.994 -3.608 -7.751 1.00 0.00 N ATOM 407 CA CYS A 33 15.524 -4.216 -6.561 1.00 0.00 C ATOM 408 C CYS A 33 16.698 -3.409 -6.025 1.00 0.00 C ATOM 409 O CYS A 33 17.747 -3.338 -6.650 1.00 0.00 O ATOM 410 CB CYS A 33 15.954 -5.641 -6.856 1.00 0.00 C ATOM 411 SG CYS A 33 16.444 -6.566 -5.398 1.00 0.00 S ATOM 0 H CYS A 33 15.459 -3.891 -8.614 1.00 0.00 H new ATOM 0 HA CYS A 33 14.744 -4.232 -5.799 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.134 -6.164 -7.348 1.00 0.00 H new ATOM 0 HB3 CYS A 33 16.787 -5.621 -7.559 1.00 0.00 H new ATOM 416 N ALA A 34 16.520 -2.814 -4.856 1.00 0.00 N ATOM 417 CA ALA A 34 17.562 -1.994 -4.244 1.00 0.00 C ATOM 418 C ALA A 34 18.715 -2.850 -3.710 1.00 0.00 C ATOM 419 O ALA A 34 19.723 -2.323 -3.236 1.00 0.00 O ATOM 420 CB ALA A 34 16.976 -1.137 -3.132 1.00 0.00 C ATOM 0 H ALA A 34 15.662 -2.882 -4.308 1.00 0.00 H new ATOM 0 HA ALA A 34 17.967 -1.342 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.765 -0.531 -2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.206 -0.484 -3.543 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.537 -1.781 -2.370 1.00 0.00 H new ATOM 426 N ALA A 35 18.563 -4.163 -3.795 1.00 0.00 N ATOM 427 CA ALA A 35 19.582 -5.079 -3.322 1.00 0.00 C ATOM 428 C ALA A 35 20.736 -5.182 -4.310 1.00 0.00 C ATOM 429 O ALA A 35 21.900 -5.215 -3.915 1.00 0.00 O ATOM 430 CB ALA A 35 18.984 -6.450 -3.060 1.00 0.00 C ATOM 0 H ALA A 35 17.739 -4.617 -4.189 1.00 0.00 H new ATOM 0 HA ALA A 35 19.977 -4.684 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.763 -7.125 -2.706 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.203 -6.368 -2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.556 -6.843 -3.982 1.00 0.00 H new ATOM 436 N CYS A 36 20.420 -5.227 -5.590 1.00 0.00 N ATOM 437 CA CYS A 36 21.443 -5.354 -6.610 1.00 0.00 C ATOM 438 C CYS A 36 21.652 -4.046 -7.378 1.00 0.00 C ATOM 439 O CYS A 36 22.670 -3.863 -8.056 1.00 0.00 O ATOM 440 CB CYS A 36 21.094 -6.503 -7.554 1.00 0.00 C ATOM 441 SG CYS A 36 19.458 -6.403 -8.317 1.00 0.00 S ATOM 0 H CYS A 36 19.466 -5.178 -5.948 1.00 0.00 H new ATOM 0 HA CYS A 36 22.388 -5.579 -6.116 1.00 0.00 H new ATOM 0 HB2 CYS A 36 21.844 -6.543 -8.344 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.163 -7.440 -7.001 1.00 0.00 H new ATOM 446 N LYS A 37 20.706 -3.135 -7.240 1.00 0.00 N ATOM 447 CA LYS A 37 20.766 -1.848 -7.913 1.00 0.00 C ATOM 448 C LYS A 37 21.580 -0.846 -7.087 1.00 0.00 C ATOM 449 O LYS A 37 21.097 -0.308 -6.086 1.00 0.00 O ATOM 450 CB LYS A 37 19.346 -1.329 -8.136 1.00 0.00 C ATOM 451 CG LYS A 37 19.244 -0.019 -8.889 1.00 0.00 C ATOM 452 CD LYS A 37 17.793 0.420 -8.985 1.00 0.00 C ATOM 453 CE LYS A 37 17.657 1.744 -9.700 1.00 0.00 C ATOM 454 NZ LYS A 37 16.250 2.219 -9.721 1.00 0.00 N ATOM 0 H LYS A 37 19.877 -3.265 -6.661 1.00 0.00 H new ATOM 0 HA LYS A 37 21.261 -1.970 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.782 -2.086 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.865 -1.209 -7.165 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.830 0.747 -8.382 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.664 -0.132 -9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.217 -0.340 -9.513 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.370 0.502 -7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.284 2.488 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.022 1.644 -10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.228 3.229 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.712 1.678 -10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.824 2.083 -8.782 1.00 0.00 H new ATOM 468 N THR A 38 22.816 -0.624 -7.494 1.00 0.00 N ATOM 469 CA THR A 38 23.697 0.311 -6.808 1.00 0.00 C ATOM 470 C THR A 38 23.899 1.576 -7.659 1.00 0.00 C ATOM 471 O THR A 38 23.361 1.680 -8.761 1.00 0.00 O ATOM 472 CB THR A 38 25.073 -0.352 -6.487 1.00 0.00 C ATOM 473 OG1 THR A 38 25.899 0.541 -5.718 1.00 0.00 O ATOM 474 CG2 THR A 38 25.802 -0.748 -7.767 1.00 0.00 C ATOM 0 H THR A 38 23.238 -1.081 -8.302 1.00 0.00 H new ATOM 0 HA THR A 38 23.227 0.592 -5.865 1.00 0.00 H new ATOM 0 HB THR A 38 24.878 -1.251 -5.903 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.757 0.108 -5.525 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.758 -1.207 -7.514 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.194 -1.459 -8.327 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.976 0.139 -8.376 1.00 0.00 H new ATOM 482 N CYS A 39 24.657 2.529 -7.142 1.00 0.00 N ATOM 483 CA CYS A 39 24.928 3.773 -7.846 1.00 0.00 C ATOM 484 C CYS A 39 26.219 4.397 -7.328 1.00 0.00 C ATOM 485 O CYS A 39 26.571 4.225 -6.162 1.00 0.00 O ATOM 486 CB CYS A 39 23.757 4.746 -7.672 1.00 0.00 C ATOM 487 SG CYS A 39 23.933 6.309 -8.560 1.00 0.00 S ATOM 0 H CYS A 39 25.101 2.463 -6.226 1.00 0.00 H new ATOM 0 HA CYS A 39 25.045 3.559 -8.908 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.843 4.256 -8.006 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.635 4.959 -6.610 1.00 0.00 H new ATOM 492 N ASN A 40 26.923 5.106 -8.195 1.00 0.00 N ATOM 493 CA ASN A 40 28.192 5.736 -7.825 1.00 0.00 C ATOM 494 C ASN A 40 28.060 7.240 -7.685 1.00 0.00 C ATOM 495 O ASN A 40 28.924 7.891 -7.096 1.00 0.00 O ATOM 496 CB ASN A 40 29.295 5.388 -8.825 1.00 0.00 C ATOM 497 CG ASN A 40 29.948 4.049 -8.534 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.978 3.978 -7.863 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.360 2.985 -9.033 1.00 0.00 N ATOM 0 H ASN A 40 26.642 5.263 -9.163 1.00 0.00 H new ATOM 0 HA ASN A 40 28.470 5.336 -6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 40 28.876 5.372 -9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.055 6.169 -8.808 1.00 0.00 H new ATOM 0 HD21 ASN A 40 29.756 2.059 -8.869 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.507 3.085 -9.584 1.00 0.00 H new ATOM 506 N CYS A 41 26.997 7.802 -8.227 1.00 0.00 N ATOM 507 CA CYS A 41 26.763 9.215 -8.081 1.00 0.00 C ATOM 508 C CYS A 41 26.237 9.477 -6.677 1.00 0.00 C ATOM 509 O CYS A 41 25.404 8.723 -6.162 1.00 0.00 O ATOM 510 CB CYS A 41 25.803 9.728 -9.157 1.00 0.00 C ATOM 511 SG CYS A 41 26.428 9.521 -10.861 1.00 0.00 S ATOM 0 H CYS A 41 26.290 7.302 -8.767 1.00 0.00 H new ATOM 0 HA CYS A 41 27.696 9.761 -8.217 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.852 9.204 -9.062 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.603 10.785 -8.979 1.00 0.00 H new ATOM 516 N THR A 42 26.733 10.515 -6.054 1.00 0.00 N ATOM 517 CA THR A 42 26.413 10.784 -4.675 1.00 0.00 C ATOM 518 C THR A 42 25.233 11.728 -4.543 1.00 0.00 C ATOM 519 O THR A 42 24.794 12.329 -5.522 1.00 0.00 O ATOM 520 CB THR A 42 27.631 11.362 -3.940 1.00 0.00 C ATOM 521 OG1 THR A 42 28.079 12.551 -4.607 1.00 0.00 O ATOM 522 CG2 THR A 42 28.760 10.343 -3.910 1.00 0.00 C ATOM 0 H THR A 42 27.364 11.192 -6.483 1.00 0.00 H new ATOM 0 HA THR A 42 26.135 9.834 -4.217 1.00 0.00 H new ATOM 0 HB THR A 42 27.342 11.603 -2.917 1.00 0.00 H new ATOM 0 HG1 THR A 42 28.855 12.918 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 42 29.617 10.765 -3.386 1.00 0.00 H new ATOM 0 HG22 THR A 42 28.425 9.444 -3.392 1.00 0.00 H new ATOM 0 HG23 THR A 42 29.047 10.088 -4.930 1.00 0.00 H new ATOM 530 N SER A 43 24.738 11.873 -3.318 1.00 0.00 N ATOM 531 CA SER A 43 23.596 12.732 -3.034 1.00 0.00 C ATOM 532 C SER A 43 23.958 14.213 -3.200 1.00 0.00 C ATOM 533 O SER A 43 23.103 15.093 -3.079 1.00 0.00 O ATOM 534 CB SER A 43 23.084 12.461 -1.621 1.00 0.00 C ATOM 535 OG SER A 43 22.800 11.075 -1.443 1.00 0.00 O ATOM 0 H SER A 43 25.116 11.400 -2.497 1.00 0.00 H new ATOM 0 HA SER A 43 22.807 12.503 -3.751 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.828 12.781 -0.892 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.184 13.048 -1.436 1.00 0.00 H new ATOM 0 HG SER A 43 22.475 10.922 -0.531 1.00 0.00 H new ATOM 541 N ASP A 44 25.226 14.474 -3.478 1.00 0.00 N ATOM 542 CA ASP A 44 25.707 15.828 -3.680 1.00 0.00 C ATOM 543 C ASP A 44 25.468 16.279 -5.116 1.00 0.00 C ATOM 544 O ASP A 44 25.228 17.461 -5.378 1.00 0.00 O ATOM 545 CB ASP A 44 27.196 15.917 -3.347 1.00 0.00 C ATOM 546 CG ASP A 44 27.745 17.323 -3.477 1.00 0.00 C ATOM 547 OD1 ASP A 44 27.521 18.142 -2.556 1.00 0.00 O ATOM 548 OD2 ASP A 44 28.412 17.620 -4.485 1.00 0.00 O ATOM 0 H ASP A 44 25.945 13.757 -3.569 1.00 0.00 H new ATOM 0 HA ASP A 44 25.153 16.488 -3.013 1.00 0.00 H new ATOM 0 HB2 ASP A 44 27.358 15.562 -2.329 1.00 0.00 H new ATOM 0 HB3 ASP A 44 27.752 15.253 -4.009 1.00 0.00 H new ATOM 553 N GLY A 45 25.518 15.336 -6.046 1.00 0.00 N ATOM 554 CA GLY A 45 25.323 15.665 -7.436 1.00 0.00 C ATOM 555 C GLY A 45 25.601 14.492 -8.350 1.00 0.00 C ATOM 556 O GLY A 45 26.332 13.568 -7.983 1.00 0.00 O ATOM 0 H GLY A 45 25.691 14.348 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.298 16.004 -7.586 1.00 0.00 H new ATOM 0 HA3 GLY A 45 25.976 16.495 -7.705 1.00 0.00 H new ATOM 560 N CYS A 46 25.018 14.529 -9.532 1.00 0.00 N ATOM 561 CA CYS A 46 25.189 13.477 -10.516 1.00 0.00 C ATOM 562 C CYS A 46 26.564 13.567 -11.159 1.00 0.00 C ATOM 563 O CYS A 46 27.072 14.664 -11.410 1.00 0.00 O ATOM 564 CB CYS A 46 24.104 13.577 -11.585 1.00 0.00 C ATOM 565 SG CYS A 46 24.206 12.309 -12.863 1.00 0.00 S ATOM 0 H CYS A 46 24.412 15.290 -9.838 1.00 0.00 H new ATOM 0 HA CYS A 46 25.103 12.514 -10.012 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.128 13.514 -11.103 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.164 14.558 -12.057 1.00 0.00 H new ATOM 570 N LYS A 47 27.167 12.424 -11.424 1.00 0.00 N ATOM 571 CA LYS A 47 28.497 12.392 -12.007 1.00 0.00 C ATOM 572 C LYS A 47 28.496 11.726 -13.384 1.00 0.00 C ATOM 573 O LYS A 47 29.435 11.901 -14.163 1.00 0.00 O ATOM 574 CB LYS A 47 29.469 11.665 -11.071 1.00 0.00 C ATOM 575 CG LYS A 47 29.501 12.227 -9.654 1.00 0.00 C ATOM 576 CD LYS A 47 30.547 11.536 -8.778 1.00 0.00 C ATOM 577 CE LYS A 47 31.947 12.134 -8.956 1.00 0.00 C ATOM 578 NZ LYS A 47 32.518 11.888 -10.307 1.00 0.00 N ATOM 0 H LYS A 47 26.759 11.506 -11.246 1.00 0.00 H new ATOM 0 HA LYS A 47 28.825 13.423 -12.137 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.195 10.611 -11.027 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.472 11.716 -11.494 1.00 0.00 H new ATOM 0 HG2 LYS A 47 29.713 13.295 -9.694 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.517 12.114 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 47 30.251 11.616 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 47 30.575 10.474 -9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 47 31.902 13.208 -8.777 1.00 0.00 H new ATOM 0 HE3 LYS A 47 32.614 11.713 -8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 33.556 11.899 -10.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.200 10.961 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 32.198 12.631 -10.960 1.00 0.00 H new ATOM 592 N CYS A 48 27.455 10.961 -13.684 1.00 0.00 N ATOM 593 CA CYS A 48 27.382 10.269 -14.965 1.00 0.00 C ATOM 594 C CYS A 48 26.617 11.107 -15.995 1.00 0.00 C ATOM 595 O CYS A 48 26.926 11.076 -17.191 1.00 0.00 O ATOM 596 CB CYS A 48 26.718 8.898 -14.798 1.00 0.00 C ATOM 597 SG CYS A 48 24.915 8.943 -14.736 1.00 0.00 S ATOM 0 H CYS A 48 26.658 10.804 -13.067 1.00 0.00 H new ATOM 0 HA CYS A 48 28.399 10.123 -15.329 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.025 8.257 -15.624 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.089 8.438 -13.882 1.00 0.00 H new ATOM 602 N GLY A 49 25.630 11.858 -15.522 1.00 0.00 N ATOM 603 CA GLY A 49 24.836 12.686 -16.406 1.00 0.00 C ATOM 604 C GLY A 49 23.394 12.217 -16.503 1.00 0.00 C ATOM 605 O GLY A 49 22.608 12.761 -17.274 1.00 0.00 O ATOM 0 H GLY A 49 25.366 11.907 -14.538 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.857 13.716 -16.050 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.283 12.684 -17.400 1.00 0.00 H new ATOM 609 N LYS A 50 23.041 11.210 -15.717 1.00 0.00 N ATOM 610 CA LYS A 50 21.684 10.668 -15.723 1.00 0.00 C ATOM 611 C LYS A 50 20.816 11.347 -14.678 1.00 0.00 C ATOM 612 O LYS A 50 19.705 10.889 -14.385 1.00 0.00 O ATOM 613 CB LYS A 50 21.707 9.161 -15.497 1.00 0.00 C ATOM 614 CG LYS A 50 22.289 8.375 -16.664 1.00 0.00 C ATOM 615 CD LYS A 50 21.320 8.302 -17.834 1.00 0.00 C ATOM 616 CE LYS A 50 20.374 7.102 -17.722 1.00 0.00 C ATOM 617 NZ LYS A 50 19.558 7.127 -16.478 1.00 0.00 N ATOM 0 H LYS A 50 23.675 10.749 -15.065 1.00 0.00 H new ATOM 0 HA LYS A 50 21.250 10.867 -16.703 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.288 8.946 -14.600 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.691 8.815 -15.309 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.218 8.843 -16.990 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.538 7.366 -16.335 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.736 9.221 -17.879 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.881 8.235 -18.766 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.710 7.086 -18.586 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.957 6.181 -17.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.855 6.361 -16.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.178 6.995 -15.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.070 8.042 -16.401 1.00 0.00 H new ATOM 631 N GLU A 51 21.340 12.433 -14.109 1.00 0.00 N ATOM 632 CA GLU A 51 20.616 13.255 -13.136 1.00 0.00 C ATOM 633 C GLU A 51 20.282 12.474 -11.866 1.00 0.00 C ATOM 634 O GLU A 51 19.346 12.822 -11.132 1.00 0.00 O ATOM 635 CB GLU A 51 19.343 13.816 -13.764 1.00 0.00 C ATOM 636 CG GLU A 51 19.589 14.608 -15.031 1.00 0.00 C ATOM 637 CD GLU A 51 18.316 15.154 -15.616 1.00 0.00 C ATOM 638 OE1 GLU A 51 17.860 16.215 -15.154 1.00 0.00 O ATOM 639 OE2 GLU A 51 17.764 14.528 -16.542 1.00 0.00 O ATOM 0 H GLU A 51 22.282 12.769 -14.310 1.00 0.00 H new ATOM 0 HA GLU A 51 21.269 14.079 -12.850 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.664 12.992 -13.986 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.841 14.455 -13.038 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.270 15.431 -14.816 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.081 13.971 -15.766 1.00 0.00 H new ATOM 646 N CYS A 52 21.051 11.444 -11.596 1.00 0.00 N ATOM 647 CA CYS A 52 20.839 10.625 -10.428 1.00 0.00 C ATOM 648 C CYS A 52 21.844 10.966 -9.349 1.00 0.00 C ATOM 649 O CYS A 52 22.989 11.296 -9.637 1.00 0.00 O ATOM 650 CB CYS A 52 20.935 9.153 -10.795 1.00 0.00 C ATOM 651 SG CYS A 52 22.416 8.726 -11.723 1.00 0.00 S ATOM 0 H CYS A 52 21.837 11.153 -12.177 1.00 0.00 H new ATOM 0 HA CYS A 52 19.840 10.825 -10.041 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.907 8.559 -9.882 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.059 8.877 -11.382 1.00 0.00 H new ATOM 656 N THR A 53 21.410 10.914 -8.114 1.00 0.00 N ATOM 657 CA THR A 53 22.274 11.209 -7.001 1.00 0.00 C ATOM 658 C THR A 53 22.139 10.130 -5.928 1.00 0.00 C ATOM 659 O THR A 53 21.891 10.422 -4.757 1.00 0.00 O ATOM 660 CB THR A 53 21.947 12.594 -6.400 1.00 0.00 C ATOM 661 OG1 THR A 53 20.574 12.645 -5.993 1.00 0.00 O ATOM 662 CG2 THR A 53 22.212 13.701 -7.406 1.00 0.00 C ATOM 0 H THR A 53 20.455 10.668 -7.854 1.00 0.00 H new ATOM 0 HA THR A 53 23.302 11.226 -7.364 1.00 0.00 H new ATOM 0 HB THR A 53 22.592 12.743 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.378 13.526 -5.612 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.974 14.665 -6.957 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.263 13.685 -7.696 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.590 13.548 -8.288 1.00 0.00 H new ATOM 670 N GLY A 54 22.295 8.886 -6.343 1.00 0.00 N ATOM 671 CA GLY A 54 22.158 7.773 -5.431 1.00 0.00 C ATOM 672 C GLY A 54 21.282 6.679 -6.015 1.00 0.00 C ATOM 673 O GLY A 54 20.525 6.939 -6.940 1.00 0.00 O ATOM 0 H GLY A 54 22.516 8.625 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.143 7.367 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.729 8.122 -4.492 1.00 0.00 H new ATOM 677 N PRO A 55 21.363 5.438 -5.482 1.00 0.00 N ATOM 678 CA PRO A 55 20.604 4.276 -5.997 1.00 0.00 C ATOM 679 C PRO A 55 19.095 4.521 -6.129 1.00 0.00 C ATOM 680 O PRO A 55 18.484 4.115 -7.118 1.00 0.00 O ATOM 681 CB PRO A 55 20.881 3.165 -4.966 1.00 0.00 C ATOM 682 CG PRO A 55 21.505 3.856 -3.798 1.00 0.00 C ATOM 683 CD PRO A 55 22.209 5.061 -4.348 1.00 0.00 C ATOM 0 HA PRO A 55 20.921 4.033 -7.011 1.00 0.00 H new ATOM 0 HB2 PRO A 55 19.960 2.658 -4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.547 2.406 -5.376 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.749 4.147 -3.069 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.205 3.197 -3.285 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.278 5.861 -3.611 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.226 4.828 -4.662 1.00 0.00 H new ATOM 691 N ASP A 56 18.501 5.193 -5.150 1.00 0.00 N ATOM 692 CA ASP A 56 17.056 5.453 -5.180 1.00 0.00 C ATOM 693 C ASP A 56 16.716 6.533 -6.187 1.00 0.00 C ATOM 694 O ASP A 56 15.593 6.608 -6.680 1.00 0.00 O ATOM 695 CB ASP A 56 16.528 5.841 -3.797 1.00 0.00 C ATOM 696 CG ASP A 56 16.580 4.698 -2.815 1.00 0.00 C ATOM 697 OD1 ASP A 56 17.435 4.725 -1.907 1.00 0.00 O ATOM 698 OD2 ASP A 56 15.775 3.761 -2.945 1.00 0.00 O ATOM 0 H ASP A 56 18.985 5.566 -4.333 1.00 0.00 H new ATOM 0 HA ASP A 56 16.569 4.527 -5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.113 6.675 -3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.499 6.189 -3.889 1.00 0.00 H new ATOM 703 N SER A 57 17.694 7.357 -6.497 1.00 0.00 N ATOM 704 CA SER A 57 17.517 8.430 -7.458 1.00 0.00 C ATOM 705 C SER A 57 18.011 7.983 -8.832 1.00 0.00 C ATOM 706 O SER A 57 17.946 8.729 -9.809 1.00 0.00 O ATOM 707 CB SER A 57 18.306 9.648 -7.001 1.00 0.00 C ATOM 708 OG SER A 57 18.069 9.920 -5.629 1.00 0.00 O ATOM 0 H SER A 57 18.630 7.305 -6.094 1.00 0.00 H new ATOM 0 HA SER A 57 16.459 8.684 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.370 9.479 -7.164 1.00 0.00 H new ATOM 0 HB3 SER A 57 18.026 10.514 -7.601 1.00 0.00 H new ATOM 0 HG SER A 57 18.588 10.706 -5.357 1.00 0.00 H new ATOM 714 N CYS A 58 18.495 6.761 -8.886 1.00 0.00 N ATOM 715 CA CYS A 58 19.068 6.205 -10.086 1.00 0.00 C ATOM 716 C CYS A 58 18.061 5.337 -10.821 1.00 0.00 C ATOM 717 O CYS A 58 17.195 4.715 -10.210 1.00 0.00 O ATOM 718 CB CYS A 58 20.313 5.383 -9.721 1.00 0.00 C ATOM 719 SG CYS A 58 21.099 4.527 -11.103 1.00 0.00 S ATOM 0 H CYS A 58 18.501 6.123 -8.090 1.00 0.00 H new ATOM 0 HA CYS A 58 19.351 7.022 -10.750 1.00 0.00 H new ATOM 0 HB2 CYS A 58 21.045 6.047 -9.261 1.00 0.00 H new ATOM 0 HB3 CYS A 58 20.034 4.645 -8.968 1.00 0.00 H new ATOM 724 N LYS A 59 18.167 5.322 -12.132 1.00 0.00 N ATOM 725 CA LYS A 59 17.329 4.486 -12.968 1.00 0.00 C ATOM 726 C LYS A 59 18.189 3.870 -14.068 1.00 0.00 C ATOM 727 O LYS A 59 17.695 3.280 -15.025 1.00 0.00 O ATOM 728 CB LYS A 59 16.173 5.311 -13.555 1.00 0.00 C ATOM 729 CG LYS A 59 15.133 4.486 -14.309 1.00 0.00 C ATOM 730 CD LYS A 59 13.889 5.300 -14.619 1.00 0.00 C ATOM 731 CE LYS A 59 13.135 5.650 -13.348 1.00 0.00 C ATOM 732 NZ LYS A 59 11.892 6.400 -13.628 1.00 0.00 N ATOM 0 H LYS A 59 18.837 5.890 -12.650 1.00 0.00 H new ATOM 0 HA LYS A 59 16.889 3.684 -12.374 1.00 0.00 H new ATOM 0 HB2 LYS A 59 15.677 5.847 -12.746 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.584 6.061 -14.230 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.566 4.115 -15.238 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.859 3.614 -13.715 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.170 6.214 -15.143 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.239 4.736 -15.288 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.892 4.735 -12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.777 6.244 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.409 6.618 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 12.125 7.286 -14.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.267 5.824 -14.227 1.00 0.00 H new ATOM 746 N CYS A 60 19.488 4.007 -13.906 1.00 0.00 N ATOM 747 CA CYS A 60 20.437 3.483 -14.858 1.00 0.00 C ATOM 748 C CYS A 60 20.657 2.005 -14.597 1.00 0.00 C ATOM 749 O CYS A 60 20.687 1.574 -13.440 1.00 0.00 O ATOM 750 CB CYS A 60 21.763 4.220 -14.716 1.00 0.00 C ATOM 751 SG CYS A 60 21.595 5.978 -14.341 1.00 0.00 S ATOM 0 H CYS A 60 19.913 4.484 -13.111 1.00 0.00 H new ATOM 0 HA CYS A 60 20.047 3.622 -15.866 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.347 3.746 -13.927 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.328 4.110 -15.641 1.00 0.00 H new ATOM 756 N GLY A 61 20.810 1.233 -15.659 1.00 0.00 N ATOM 757 CA GLY A 61 21.072 -0.178 -15.506 1.00 0.00 C ATOM 758 C GLY A 61 22.438 -0.422 -14.901 1.00 0.00 C ATOM 759 O GLY A 61 23.269 0.495 -14.842 1.00 0.00 O ATOM 0 H GLY A 61 20.757 1.559 -16.624 1.00 0.00 H new ATOM 0 HA2 GLY A 61 20.306 -0.625 -14.872 1.00 0.00 H new ATOM 0 HA3 GLY A 61 21.009 -0.669 -16.477 1.00 0.00 H new ATOM 763 N SER A 62 22.688 -1.648 -14.475 1.00 0.00 N ATOM 764 CA SER A 62 23.953 -2.008 -13.841 1.00 0.00 C ATOM 765 C SER A 62 25.134 -1.986 -14.834 1.00 0.00 C ATOM 766 O SER A 62 26.255 -2.342 -14.485 1.00 0.00 O ATOM 767 CB SER A 62 23.826 -3.382 -13.182 1.00 0.00 C ATOM 768 OG SER A 62 22.747 -3.393 -12.263 1.00 0.00 O ATOM 0 H SER A 62 22.027 -2.421 -14.556 1.00 0.00 H new ATOM 0 HA SER A 62 24.170 -1.258 -13.080 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.670 -4.145 -13.945 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.753 -3.632 -12.666 1.00 0.00 H new ATOM 0 HG SER A 62 23.008 -3.886 -11.457 1.00 0.00 H new ATOM 774 N SER A 63 24.875 -1.544 -16.055 1.00 0.00 N ATOM 775 CA SER A 63 25.901 -1.465 -17.072 1.00 0.00 C ATOM 776 C SER A 63 26.282 -0.002 -17.366 1.00 0.00 C ATOM 777 O SER A 63 27.071 0.272 -18.273 1.00 0.00 O ATOM 778 CB SER A 63 25.421 -2.168 -18.352 1.00 0.00 C ATOM 779 OG SER A 63 26.431 -2.183 -19.349 1.00 0.00 O ATOM 0 H SER A 63 23.954 -1.233 -16.363 1.00 0.00 H new ATOM 0 HA SER A 63 26.793 -1.970 -16.702 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.125 -3.191 -18.117 1.00 0.00 H new ATOM 0 HB3 SER A 63 24.536 -1.661 -18.737 1.00 0.00 H new ATOM 0 HG SER A 63 27.016 -1.405 -19.234 1.00 0.00 H new ATOM 785 N CYS A 64 25.730 0.928 -16.596 1.00 0.00 N ATOM 786 CA CYS A 64 26.012 2.348 -16.799 1.00 0.00 C ATOM 787 C CYS A 64 27.386 2.724 -16.234 1.00 0.00 C ATOM 788 O CYS A 64 28.010 1.941 -15.512 1.00 0.00 O ATOM 789 CB CYS A 64 24.917 3.207 -16.158 1.00 0.00 C ATOM 790 SG CYS A 64 25.053 4.991 -16.494 1.00 0.00 S ATOM 0 H CYS A 64 25.088 0.729 -15.829 1.00 0.00 H new ATOM 0 HA CYS A 64 26.025 2.540 -17.872 1.00 0.00 H new ATOM 0 HB2 CYS A 64 23.947 2.858 -16.512 1.00 0.00 H new ATOM 0 HB3 CYS A 64 24.938 3.052 -15.079 1.00 0.00 H new ATOM 795 N SER A 65 27.839 3.927 -16.560 1.00 0.00 N ATOM 796 CA SER A 65 29.138 4.422 -16.125 1.00 0.00 C ATOM 797 C SER A 65 29.203 4.581 -14.599 1.00 0.00 C ATOM 798 O SER A 65 30.267 4.456 -14.000 1.00 0.00 O ATOM 799 CB SER A 65 29.427 5.758 -16.805 1.00 0.00 C ATOM 800 OG SER A 65 29.259 5.654 -18.213 1.00 0.00 O ATOM 0 H SER A 65 27.316 4.588 -17.134 1.00 0.00 H new ATOM 0 HA SER A 65 29.894 3.691 -16.411 1.00 0.00 H new ATOM 0 HB2 SER A 65 28.760 6.524 -16.410 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.445 6.074 -16.578 1.00 0.00 H new ATOM 0 HG SER A 65 29.447 6.521 -18.630 1.00 0.00 H new ATOM 806 N CYS A 66 28.063 4.841 -13.975 1.00 0.00 N ATOM 807 CA CYS A 66 28.010 5.017 -12.527 1.00 0.00 C ATOM 808 C CYS A 66 27.763 3.676 -11.825 1.00 0.00 C ATOM 809 O CYS A 66 27.241 3.630 -10.709 1.00 0.00 O ATOM 810 CB CYS A 66 26.907 6.013 -12.160 1.00 0.00 C ATOM 811 SG CYS A 66 25.231 5.387 -12.396 1.00 0.00 S ATOM 0 H CYS A 66 27.163 4.935 -14.446 1.00 0.00 H new ATOM 0 HA CYS A 66 28.971 5.408 -12.192 1.00 0.00 H new ATOM 0 HB2 CYS A 66 27.030 6.305 -11.117 1.00 0.00 H new ATOM 0 HB3 CYS A 66 27.033 6.914 -12.760 1.00 0.00 H new ATOM 816 N LYS A 67 28.151 2.592 -12.474 1.00 0.00 N ATOM 817 CA LYS A 67 27.948 1.256 -11.920 1.00 0.00 C ATOM 818 C LYS A 67 29.270 0.516 -11.754 1.00 0.00 C ATOM 819 O LYS A 67 29.900 0.686 -10.673 1.00 0.00 O ATOM 820 CB LYS A 67 27.004 0.462 -12.810 1.00 0.00 C ATOM 821 CG LYS A 67 25.623 1.080 -12.938 1.00 0.00 C ATOM 822 CD LYS A 67 24.883 1.057 -11.614 1.00 0.00 C ATOM 823 CE LYS A 67 23.481 1.626 -11.746 1.00 0.00 C ATOM 824 NZ LYS A 67 23.496 3.097 -11.920 1.00 0.00 N ATOM 0 H LYS A 67 28.609 2.606 -13.385 1.00 0.00 H new ATOM 0 HA LYS A 67 27.502 1.363 -10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.445 0.371 -13.803 1.00 0.00 H new ATOM 0 HB3 LYS A 67 26.905 -0.547 -12.411 1.00 0.00 H new ATOM 0 HG2 LYS A 67 25.714 2.108 -13.288 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.048 0.537 -13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.827 0.033 -11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.441 1.632 -10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.981 1.165 -12.598 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.901 1.371 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.532 3.470 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.122 3.524 -11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.845 3.330 -12.872 1.00 0.00 H new TER 838 LYS A 67 HETATM 839 CD CD A 101 16.566 -7.644 -10.920 1.00 0.00 CD HETATM 840 CD CD A 102 17.790 -7.880 -7.090 1.00 0.00 CD HETATM 841 CD CD A 103 20.535 -7.929 -10.098 1.00 0.00 CD HETATM 842 CD CD A 104 23.150 6.263 -10.987 1.00 0.00 CD HETATM 843 CD CD A 105 24.245 6.334 -14.508 1.00 0.00 CD HETATM 844 CD CD A 106 24.503 9.870 -12.594 1.00 0.00 CD