USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 447 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 29 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HE2:sc= -3.53 K(o=-3.5,f=-7!) USER MOD Single : A 5 ASN : amide:sc= -1.54 K(o=-1.5,f=-2.2!) USER MOD Single : A 6 GLN : amide:sc= -3.58 K(o=-3.6,f=-6.6!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 42:sc= 1.26 USER MOD Single : A 10 GLN : amide:sc= -0.0962 K(o=-0.096,f=-2.6!) USER MOD Single : A 13 THR OG1 : rot -159:sc= -2.27 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.439 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.92 X(o=-1.9,f=-2.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0285) USER MOD Single : A 50 ASN : amide:sc= 0.249 X(o=0.25,f=-0.068) USER MOD Single : A 52 ASN : amide:sc= -2.42 K(o=-2.4,f=-0.96) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 60 ASN : amide:sc= -0.768 K(o=-0.77,f=-7.1!) USER MOD Single : A 61 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.525 14.336 -0.447 1.00 0.00 N ATOM 2 CA LEU A 1 3.945 13.329 -1.372 1.00 0.00 C ATOM 3 C LEU A 1 2.424 13.414 -1.405 1.00 0.00 C ATOM 4 O LEU A 1 1.832 14.374 -0.914 1.00 0.00 O ATOM 5 CB LEU A 1 4.382 11.939 -0.920 1.00 0.00 C ATOM 6 CG LEU A 1 5.203 11.162 -1.948 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.362 10.798 -3.161 1.00 0.00 C ATOM 8 CD2 LEU A 1 6.428 11.960 -2.367 1.00 0.00 C ATOM 0 H1 LEU A 1 5.562 14.252 -0.448 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.255 15.291 -0.759 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.165 14.172 0.515 1.00 0.00 H new ATOM 0 HA LEU A 1 4.306 13.528 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.968 12.037 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.495 11.358 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 1 5.536 10.235 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.973 10.246 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.521 10.179 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.988 11.708 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 1 7.000 11.391 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 1 6.113 12.905 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 1 7.050 12.157 -1.494 1.00 0.00 H new ATOM 22 N GLU A 2 1.804 12.394 -1.985 1.00 0.00 N ATOM 23 CA GLU A 2 0.350 12.335 -2.085 1.00 0.00 C ATOM 24 C GLU A 2 -0.110 10.903 -2.337 1.00 0.00 C ATOM 25 O GLU A 2 -0.797 10.618 -3.318 1.00 0.00 O ATOM 26 CB GLU A 2 -0.147 13.260 -3.199 1.00 0.00 C ATOM 27 CG GLU A 2 -0.688 14.582 -2.685 1.00 0.00 C ATOM 28 CD GLU A 2 -1.067 15.532 -3.804 1.00 0.00 C ATOM 29 OE1 GLU A 2 -0.207 15.805 -4.668 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.224 16.003 -3.818 1.00 0.00 O ATOM 0 H GLU A 2 2.286 11.594 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.075 12.673 -1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.671 13.455 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.928 12.751 -3.763 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.562 14.395 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.061 15.055 -2.050 1.00 0.00 H new ATOM 37 N CYS A 3 0.288 10.003 -1.448 1.00 0.00 N ATOM 38 CA CYS A 3 -0.065 8.598 -1.564 1.00 0.00 C ATOM 39 C CYS A 3 -1.484 8.342 -1.068 1.00 0.00 C ATOM 40 O CYS A 3 -2.261 9.276 -0.865 1.00 0.00 O ATOM 41 CB CYS A 3 0.923 7.744 -0.771 1.00 0.00 C ATOM 42 SG CYS A 3 2.637 8.363 -0.782 1.00 0.00 S ATOM 0 H CYS A 3 0.860 10.225 -0.633 1.00 0.00 H new ATOM 0 HA CYS A 3 -0.018 8.324 -2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.580 7.679 0.262 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.913 6.731 -1.174 1.00 0.00 H new ATOM 47 N HIS A 4 -1.811 7.069 -0.873 1.00 0.00 N ATOM 48 CA HIS A 4 -3.133 6.680 -0.399 1.00 0.00 C ATOM 49 C HIS A 4 -3.035 5.948 0.936 1.00 0.00 C ATOM 50 O HIS A 4 -1.950 5.809 1.502 1.00 0.00 O ATOM 51 CB HIS A 4 -3.824 5.788 -1.432 1.00 0.00 C ATOM 52 CG HIS A 4 -4.028 6.453 -2.758 1.00 0.00 C ATOM 53 ND1 HIS A 4 -5.094 7.288 -3.023 1.00 0.00 N ATOM 54 CD2 HIS A 4 -3.299 6.404 -3.898 1.00 0.00 C ATOM 55 CE1 HIS A 4 -5.011 7.721 -4.270 1.00 0.00 C ATOM 56 NE2 HIS A 4 -3.931 7.200 -4.821 1.00 0.00 N ATOM 0 H HIS A 4 -1.176 6.287 -1.037 1.00 0.00 H new ATOM 0 HA HIS A 4 -3.724 7.585 -0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -3.230 4.885 -1.575 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -4.791 5.474 -1.040 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.830 7.533 -2.361 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -2.389 5.843 -4.053 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -5.709 8.388 -4.755 1.00 0.00 H new ATOM 65 N ASN A 5 -4.175 5.481 1.432 1.00 0.00 N ATOM 66 CA ASN A 5 -4.221 4.759 2.699 1.00 0.00 C ATOM 67 C ASN A 5 -5.546 4.016 2.845 1.00 0.00 C ATOM 68 O ASN A 5 -6.154 4.012 3.914 1.00 0.00 O ATOM 69 CB ASN A 5 -4.029 5.724 3.870 1.00 0.00 C ATOM 70 CG ASN A 5 -4.916 6.950 3.763 1.00 0.00 C ATOM 71 OD1 ASN A 5 -5.978 7.017 4.380 1.00 0.00 O ATOM 72 ND2 ASN A 5 -4.481 7.927 2.977 1.00 0.00 N ATOM 0 H ASN A 5 -5.081 5.589 0.976 1.00 0.00 H new ATOM 0 HA ASN A 5 -3.410 4.031 2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -4.244 5.204 4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.986 6.037 3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.034 8.777 2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.593 7.828 2.484 1.00 0.00 H new ATOM 79 N GLN A 6 -5.987 3.394 1.756 1.00 0.00 N ATOM 80 CA GLN A 6 -7.241 2.650 1.752 1.00 0.00 C ATOM 81 C GLN A 6 -6.989 1.149 1.657 1.00 0.00 C ATOM 82 O GLN A 6 -6.466 0.660 0.656 1.00 0.00 O ATOM 83 CB GLN A 6 -8.120 3.104 0.586 1.00 0.00 C ATOM 84 CG GLN A 6 -7.352 3.317 -0.709 1.00 0.00 C ATOM 85 CD GLN A 6 -8.223 3.160 -1.939 1.00 0.00 C ATOM 86 OE1 GLN A 6 -9.367 2.716 -1.851 1.00 0.00 O ATOM 87 NE2 GLN A 6 -7.685 3.525 -3.097 1.00 0.00 N ATOM 0 H GLN A 6 -5.493 3.391 0.864 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.756 2.852 2.691 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.899 2.360 0.418 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.620 4.033 0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.912 4.314 -0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.528 2.605 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.732 3.888 -3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.224 3.442 -3.959 1.00 0.00 H new ATOM 96 N GLN A 7 -7.366 0.422 2.704 1.00 0.00 N ATOM 97 CA GLN A 7 -7.185 -1.020 2.737 1.00 0.00 C ATOM 98 C GLN A 7 -8.284 -1.722 1.946 1.00 0.00 C ATOM 99 O GLN A 7 -9.235 -1.088 1.490 1.00 0.00 O ATOM 100 CB GLN A 7 -7.185 -1.515 4.183 1.00 0.00 C ATOM 101 CG GLN A 7 -8.334 -0.968 5.018 1.00 0.00 C ATOM 102 CD GLN A 7 -9.121 -2.061 5.714 1.00 0.00 C ATOM 103 OE1 GLN A 7 -10.290 -2.293 5.405 1.00 0.00 O ATOM 104 NE2 GLN A 7 -8.482 -2.739 6.661 1.00 0.00 N ATOM 0 H GLN A 7 -7.799 0.811 3.541 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.225 -1.256 2.277 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.233 -2.604 4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -6.242 -1.237 4.653 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.940 -0.278 5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.004 -0.395 4.377 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -7.513 -2.513 6.884 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -8.961 -3.486 7.165 1.00 0.00 H new ATOM 113 N SER A 8 -8.147 -3.035 1.788 1.00 0.00 N ATOM 114 CA SER A 8 -9.128 -3.825 1.052 1.00 0.00 C ATOM 115 C SER A 8 -9.194 -3.389 -0.410 1.00 0.00 C ATOM 116 O SER A 8 -8.589 -4.015 -1.280 1.00 0.00 O ATOM 117 CB SER A 8 -10.509 -3.701 1.703 1.00 0.00 C ATOM 118 OG SER A 8 -10.779 -4.811 2.540 1.00 0.00 O ATOM 0 H SER A 8 -7.365 -3.575 2.160 1.00 0.00 H new ATOM 0 HA SER A 8 -8.815 -4.869 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.559 -2.781 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.274 -3.630 0.930 1.00 0.00 H new ATOM 0 HG SER A 8 -11.665 -4.707 2.945 1.00 0.00 H new ATOM 124 N SER A 9 -9.932 -2.314 -0.675 1.00 0.00 N ATOM 125 CA SER A 9 -10.072 -1.800 -2.033 1.00 0.00 C ATOM 126 C SER A 9 -10.967 -0.564 -2.061 1.00 0.00 C ATOM 127 O SER A 9 -10.494 0.551 -2.275 1.00 0.00 O ATOM 128 CB SER A 9 -10.647 -2.878 -2.954 1.00 0.00 C ATOM 129 OG SER A 9 -9.613 -3.617 -3.582 1.00 0.00 O ATOM 0 H SER A 9 -10.441 -1.783 0.032 1.00 0.00 H new ATOM 0 HA SER A 9 -9.081 -1.517 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.282 -3.552 -2.378 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.279 -2.414 -3.712 1.00 0.00 H new ATOM 0 HG SER A 9 -8.905 -3.806 -2.932 1.00 0.00 H new ATOM 135 N GLN A 10 -12.262 -0.772 -1.846 1.00 0.00 N ATOM 136 CA GLN A 10 -13.224 0.323 -1.849 1.00 0.00 C ATOM 137 C GLN A 10 -12.929 1.318 -0.730 1.00 0.00 C ATOM 138 O GLN A 10 -11.937 1.185 -0.013 1.00 0.00 O ATOM 139 CB GLN A 10 -14.646 -0.220 -1.702 1.00 0.00 C ATOM 140 CG GLN A 10 -15.327 -0.488 -3.031 1.00 0.00 C ATOM 141 CD GLN A 10 -16.352 0.571 -3.388 1.00 0.00 C ATOM 142 OE1 GLN A 10 -16.291 1.699 -2.898 1.00 0.00 O ATOM 143 NE2 GLN A 10 -17.301 0.212 -4.244 1.00 0.00 N ATOM 0 H GLN A 10 -12.669 -1.690 -1.667 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.136 0.844 -2.802 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.617 -1.144 -1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.243 0.493 -1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.573 -0.538 -3.817 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.815 -1.462 -2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -17.313 -0.734 -4.625 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -18.018 0.882 -4.521 1.00 0.00 H new ATOM 152 N ALA A 11 -13.798 2.314 -0.590 1.00 0.00 N ATOM 153 CA ALA A 11 -13.638 3.336 0.440 1.00 0.00 C ATOM 154 C ALA A 11 -12.285 4.035 0.319 1.00 0.00 C ATOM 155 O ALA A 11 -11.444 3.941 1.213 1.00 0.00 O ATOM 156 CB ALA A 11 -13.798 2.721 1.822 1.00 0.00 C ATOM 0 H ALA A 11 -14.622 2.436 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.416 4.086 0.296 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.676 3.494 2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.790 2.279 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.042 1.949 1.966 1.00 0.00 H new ATOM 162 N PRO A 12 -12.057 4.747 -0.798 1.00 0.00 N ATOM 163 CA PRO A 12 -10.800 5.464 -1.044 1.00 0.00 C ATOM 164 C PRO A 12 -10.402 6.369 0.115 1.00 0.00 C ATOM 165 O PRO A 12 -11.245 6.783 0.912 1.00 0.00 O ATOM 166 CB PRO A 12 -11.115 6.293 -2.286 1.00 0.00 C ATOM 167 CG PRO A 12 -12.122 5.471 -2.999 1.00 0.00 C ATOM 168 CD PRO A 12 -13.001 4.908 -1.918 1.00 0.00 C ATOM 0 HA PRO A 12 -9.958 4.782 -1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.509 7.275 -2.025 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.226 6.458 -2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -12.697 6.074 -3.702 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -11.647 4.677 -3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -13.819 5.583 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.449 3.959 -2.212 1.00 0.00 H new ATOM 176 N THR A 13 -9.112 6.675 0.201 1.00 0.00 N ATOM 177 CA THR A 13 -8.598 7.537 1.260 1.00 0.00 C ATOM 178 C THR A 13 -7.241 8.117 0.876 1.00 0.00 C ATOM 179 O THR A 13 -6.262 7.386 0.729 1.00 0.00 O ATOM 180 CB THR A 13 -8.481 6.756 2.571 1.00 0.00 C ATOM 181 OG1 THR A 13 -7.853 5.504 2.356 1.00 0.00 O ATOM 182 CG2 THR A 13 -9.818 6.494 3.232 1.00 0.00 C ATOM 0 H THR A 13 -8.402 6.339 -0.450 1.00 0.00 H new ATOM 0 HA THR A 13 -9.299 8.360 1.398 1.00 0.00 H new ATOM 0 HB THR A 13 -7.885 7.386 3.231 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.077 4.895 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.664 5.937 4.156 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.305 7.443 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.449 5.913 2.559 1.00 0.00 H new ATOM 190 N THR A 14 -7.191 9.436 0.715 1.00 0.00 N ATOM 191 CA THR A 14 -5.952 10.113 0.346 1.00 0.00 C ATOM 192 C THR A 14 -5.472 11.023 1.472 1.00 0.00 C ATOM 193 O THR A 14 -6.272 11.677 2.140 1.00 0.00 O ATOM 194 CB THR A 14 -6.154 10.928 -0.932 1.00 0.00 C ATOM 195 OG1 THR A 14 -7.018 12.026 -0.697 1.00 0.00 O ATOM 196 CG2 THR A 14 -6.735 10.121 -2.072 1.00 0.00 C ATOM 0 H THR A 14 -7.992 10.056 0.834 1.00 0.00 H new ATOM 0 HA THR A 14 -5.191 9.353 0.169 1.00 0.00 H new ATOM 0 HB THR A 14 -5.158 11.265 -1.219 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.133 12.535 -1.526 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.852 10.760 -2.947 1.00 0.00 H new ATOM 0 HG22 THR A 14 -6.065 9.296 -2.312 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.707 9.725 -1.779 1.00 0.00 H new ATOM 204 N LYS A 15 -4.158 11.059 1.674 1.00 0.00 N ATOM 205 CA LYS A 15 -3.567 11.888 2.719 1.00 0.00 C ATOM 206 C LYS A 15 -2.088 12.137 2.438 1.00 0.00 C ATOM 207 O LYS A 15 -1.532 11.614 1.473 1.00 0.00 O ATOM 208 CB LYS A 15 -3.734 11.222 4.085 1.00 0.00 C ATOM 209 CG LYS A 15 -3.946 12.210 5.223 1.00 0.00 C ATOM 210 CD LYS A 15 -5.359 12.135 5.780 1.00 0.00 C ATOM 211 CE LYS A 15 -6.172 13.366 5.413 1.00 0.00 C ATOM 212 NZ LYS A 15 -7.618 13.192 5.723 1.00 0.00 N ATOM 0 H LYS A 15 -3.483 10.524 1.128 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.086 12.847 2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.582 10.539 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.850 10.621 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.230 12.006 6.019 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.748 13.221 4.868 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.855 11.243 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.318 12.035 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.786 14.230 5.955 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.052 13.576 4.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.136 14.054 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.993 12.384 5.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.736 13.017 6.741 1.00 0.00 H new ATOM 226 N THR A 16 -1.456 12.940 3.289 1.00 0.00 N ATOM 227 CA THR A 16 -0.041 13.258 3.132 1.00 0.00 C ATOM 228 C THR A 16 0.760 12.787 4.342 1.00 0.00 C ATOM 229 O THR A 16 0.191 12.374 5.353 1.00 0.00 O ATOM 230 CB THR A 16 0.147 14.763 2.937 1.00 0.00 C ATOM 231 OG1 THR A 16 1.510 15.073 2.707 1.00 0.00 O ATOM 232 CG2 THR A 16 -0.316 15.583 4.123 1.00 0.00 C ATOM 0 H THR A 16 -1.901 13.382 4.093 1.00 0.00 H new ATOM 0 HA THR A 16 0.327 12.736 2.249 1.00 0.00 H new ATOM 0 HB THR A 16 -0.468 15.021 2.075 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.609 16.040 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.154 16.641 3.919 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.377 15.405 4.297 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.250 15.294 5.009 1.00 0.00 H new ATOM 240 N CYS A 17 2.084 12.851 4.233 1.00 0.00 N ATOM 241 CA CYS A 17 2.962 12.430 5.320 1.00 0.00 C ATOM 242 C CYS A 17 3.877 13.572 5.753 1.00 0.00 C ATOM 243 O CYS A 17 4.149 14.491 4.980 1.00 0.00 O ATOM 244 CB CYS A 17 3.803 11.227 4.890 1.00 0.00 C ATOM 245 SG CYS A 17 2.843 9.887 4.113 1.00 0.00 S ATOM 0 H CYS A 17 2.572 13.190 3.404 1.00 0.00 H new ATOM 0 HA CYS A 17 2.337 12.145 6.166 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.568 11.564 4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.321 10.829 5.762 1.00 0.00 H new ATOM 250 N SER A 18 4.348 13.508 6.995 1.00 0.00 N ATOM 251 CA SER A 18 5.231 14.536 7.533 1.00 0.00 C ATOM 252 C SER A 18 6.582 13.943 7.925 1.00 0.00 C ATOM 253 O SER A 18 6.717 13.328 8.983 1.00 0.00 O ATOM 254 CB SER A 18 4.584 15.208 8.746 1.00 0.00 C ATOM 255 OG SER A 18 3.582 14.383 9.312 1.00 0.00 O ATOM 0 H SER A 18 4.132 12.754 7.648 1.00 0.00 H new ATOM 0 HA SER A 18 5.395 15.283 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.346 15.425 9.495 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.149 16.162 8.448 1.00 0.00 H new ATOM 0 HG SER A 18 3.185 14.834 10.086 1.00 0.00 H new ATOM 261 N GLY A 19 7.578 14.131 7.064 1.00 0.00 N ATOM 262 CA GLY A 19 8.904 13.609 7.338 1.00 0.00 C ATOM 263 C GLY A 19 9.173 12.303 6.616 1.00 0.00 C ATOM 264 O GLY A 19 9.883 11.437 7.129 1.00 0.00 O ATOM 0 H GLY A 19 7.490 14.635 6.182 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.650 14.346 7.040 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.017 13.457 8.411 1.00 0.00 H new ATOM 268 N GLU A 20 8.606 12.161 5.423 1.00 0.00 N ATOM 269 CA GLU A 20 8.787 10.953 4.627 1.00 0.00 C ATOM 270 C GLU A 20 9.483 11.271 3.307 1.00 0.00 C ATOM 271 O GLU A 20 9.904 12.404 3.075 1.00 0.00 O ATOM 272 CB GLU A 20 7.435 10.286 4.359 1.00 0.00 C ATOM 273 CG GLU A 20 7.136 9.123 5.292 1.00 0.00 C ATOM 274 CD GLU A 20 6.321 9.541 6.500 1.00 0.00 C ATOM 275 OE1 GLU A 20 6.326 10.745 6.832 1.00 0.00 O ATOM 276 OE2 GLU A 20 5.679 8.664 7.115 1.00 0.00 O ATOM 0 H GLU A 20 8.016 12.869 4.985 1.00 0.00 H new ATOM 0 HA GLU A 20 9.417 10.266 5.192 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.646 11.031 4.456 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.412 9.930 3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 20 6.596 8.351 4.743 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.074 8.680 5.627 1.00 0.00 H new ATOM 283 N THR A 21 9.601 10.265 2.447 1.00 0.00 N ATOM 284 CA THR A 21 10.247 10.441 1.151 1.00 0.00 C ATOM 285 C THR A 21 9.613 9.542 0.097 1.00 0.00 C ATOM 286 O THR A 21 9.307 9.983 -1.010 1.00 0.00 O ATOM 287 CB THR A 21 11.744 10.143 1.258 1.00 0.00 C ATOM 288 OG1 THR A 21 11.976 9.048 2.125 1.00 0.00 O ATOM 289 CG2 THR A 21 12.554 11.314 1.769 1.00 0.00 C ATOM 0 H THR A 21 9.258 9.321 2.623 1.00 0.00 H new ATOM 0 HA THR A 21 10.110 11.478 0.846 1.00 0.00 H new ATOM 0 HB THR A 21 12.066 9.917 0.241 1.00 0.00 H new ATOM 0 HG1 THR A 21 12.939 8.872 2.179 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.606 11.034 1.820 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.436 12.161 1.093 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.204 11.592 2.763 1.00 0.00 H new ATOM 297 N ASN A 22 9.423 8.277 0.450 1.00 0.00 N ATOM 298 CA ASN A 22 8.829 7.308 -0.464 1.00 0.00 C ATOM 299 C ASN A 22 7.703 6.534 0.216 1.00 0.00 C ATOM 300 O ASN A 22 7.683 6.388 1.438 1.00 0.00 O ATOM 301 CB ASN A 22 9.891 6.331 -0.986 1.00 0.00 C ATOM 302 CG ASN A 22 11.174 6.362 -0.177 1.00 0.00 C ATOM 303 OD1 ASN A 22 12.184 6.916 -0.612 1.00 0.00 O ATOM 304 ND2 ASN A 22 11.138 5.762 1.004 1.00 0.00 N ATOM 0 H ASN A 22 9.672 7.897 1.363 1.00 0.00 H new ATOM 0 HA ASN A 22 8.413 7.860 -1.307 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.484 5.320 -0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.117 6.570 -2.025 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.970 5.746 1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.278 5.316 1.323 1.00 0.00 H new ATOM 311 N CYS A 23 6.769 6.036 -0.589 1.00 0.00 N ATOM 312 CA CYS A 23 5.641 5.273 -0.079 1.00 0.00 C ATOM 313 C CYS A 23 5.758 3.812 -0.497 1.00 0.00 C ATOM 314 O CYS A 23 6.786 3.395 -1.030 1.00 0.00 O ATOM 315 CB CYS A 23 4.333 5.864 -0.600 1.00 0.00 C ATOM 316 SG CYS A 23 3.601 7.119 0.497 1.00 0.00 S ATOM 0 H CYS A 23 6.774 6.150 -1.603 1.00 0.00 H new ATOM 0 HA CYS A 23 5.646 5.326 1.010 1.00 0.00 H new ATOM 0 HB2 CYS A 23 4.512 6.311 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.614 5.058 -0.744 1.00 0.00 H new ATOM 321 N TYR A 24 4.707 3.037 -0.258 1.00 0.00 N ATOM 322 CA TYR A 24 4.719 1.627 -0.623 1.00 0.00 C ATOM 323 C TYR A 24 3.316 1.103 -0.887 1.00 0.00 C ATOM 324 O TYR A 24 2.321 1.795 -0.670 1.00 0.00 O ATOM 325 CB TYR A 24 5.374 0.791 0.476 1.00 0.00 C ATOM 326 CG TYR A 24 4.698 0.927 1.823 1.00 0.00 C ATOM 327 CD1 TYR A 24 5.089 1.909 2.723 1.00 0.00 C ATOM 328 CD2 TYR A 24 3.669 0.070 2.194 1.00 0.00 C ATOM 329 CE1 TYR A 24 4.475 2.036 3.955 1.00 0.00 C ATOM 330 CE2 TYR A 24 3.049 0.190 3.423 1.00 0.00 C ATOM 331 CZ TYR A 24 3.455 1.173 4.300 1.00 0.00 C ATOM 332 OH TYR A 24 2.842 1.296 5.525 1.00 0.00 O ATOM 0 H TYR A 24 3.844 3.357 0.182 1.00 0.00 H new ATOM 0 HA TYR A 24 5.299 1.539 -1.542 1.00 0.00 H new ATOM 0 HB2 TYR A 24 5.365 -0.257 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.419 1.086 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.887 2.586 2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 24 3.349 -0.702 1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 24 4.792 2.806 4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 24 2.250 -0.483 3.695 1.00 0.00 H new ATOM 0 HH TYR A 24 2.144 0.613 5.612 1.00 0.00 H new ATOM 342 N LYS A 25 3.261 -0.137 -1.349 1.00 0.00 N ATOM 343 CA LYS A 25 2.001 -0.804 -1.643 1.00 0.00 C ATOM 344 C LYS A 25 2.157 -2.303 -1.430 1.00 0.00 C ATOM 345 O LYS A 25 3.006 -2.942 -2.049 1.00 0.00 O ATOM 346 CB LYS A 25 1.554 -0.511 -3.077 1.00 0.00 C ATOM 347 CG LYS A 25 0.045 -0.434 -3.238 1.00 0.00 C ATOM 348 CD LYS A 25 -0.531 -1.741 -3.760 1.00 0.00 C ATOM 349 CE LYS A 25 -1.305 -1.536 -5.053 1.00 0.00 C ATOM 350 NZ LYS A 25 -1.081 -2.646 -6.017 1.00 0.00 N ATOM 0 H LYS A 25 4.086 -0.708 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 25 1.234 -0.424 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.995 0.432 -3.401 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.943 -1.287 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.412 -0.192 -2.278 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.207 0.375 -3.924 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.277 -2.454 -3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.188 -2.176 -3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.369 -1.458 -4.830 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.005 -0.593 -5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.626 -2.468 -6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.069 -2.705 -6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.391 -3.543 -5.592 1.00 0.00 H new ATOM 364 N LYS A 26 1.351 -2.854 -0.534 1.00 0.00 N ATOM 365 CA LYS A 26 1.420 -4.275 -0.222 1.00 0.00 C ATOM 366 C LYS A 26 0.105 -4.978 -0.525 1.00 0.00 C ATOM 367 O LYS A 26 -0.961 -4.373 -0.465 1.00 0.00 O ATOM 368 CB LYS A 26 1.784 -4.476 1.253 1.00 0.00 C ATOM 369 CG LYS A 26 1.523 -3.258 2.130 1.00 0.00 C ATOM 370 CD LYS A 26 1.592 -3.605 3.610 1.00 0.00 C ATOM 371 CE LYS A 26 2.800 -2.972 4.283 1.00 0.00 C ATOM 372 NZ LYS A 26 3.619 -3.977 5.016 1.00 0.00 N ATOM 0 H LYS A 26 0.642 -2.340 -0.011 1.00 0.00 H new ATOM 0 HA LYS A 26 2.194 -4.714 -0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.216 -5.320 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.839 -4.741 1.323 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.255 -2.483 1.903 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.541 -2.846 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.682 -3.267 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.636 -4.688 3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.417 -2.479 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.466 -2.201 4.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.432 -3.505 5.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.038 -4.429 5.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.960 -4.700 4.350 1.00 0.00 H new ATOM 386 N TRP A 27 0.192 -6.266 -0.834 1.00 0.00 N ATOM 387 CA TRP A 27 -0.994 -7.060 -1.121 1.00 0.00 C ATOM 388 C TRP A 27 -0.724 -8.541 -0.929 1.00 0.00 C ATOM 389 O TRP A 27 0.426 -8.976 -0.864 1.00 0.00 O ATOM 390 CB TRP A 27 -1.507 -6.823 -2.538 1.00 0.00 C ATOM 391 CG TRP A 27 -0.491 -7.033 -3.598 1.00 0.00 C ATOM 392 CD1 TRP A 27 -0.367 -8.140 -4.353 1.00 0.00 C ATOM 393 CD2 TRP A 27 0.518 -6.117 -4.041 1.00 0.00 C ATOM 394 NE1 TRP A 27 0.663 -7.994 -5.241 1.00 0.00 N ATOM 395 CE2 TRP A 27 1.227 -6.759 -5.071 1.00 0.00 C ATOM 396 CE3 TRP A 27 0.898 -4.823 -3.669 1.00 0.00 C ATOM 397 CZ2 TRP A 27 2.291 -6.156 -5.737 1.00 0.00 C ATOM 398 CZ3 TRP A 27 1.954 -4.223 -4.331 1.00 0.00 C ATOM 399 CH2 TRP A 27 2.639 -4.890 -5.355 1.00 0.00 C ATOM 0 H TRP A 27 1.070 -6.781 -0.892 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.760 -6.739 -0.415 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -2.350 -7.488 -2.723 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.884 -5.803 -2.609 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -0.991 -9.018 -4.270 1.00 0.00 H new ATOM 0 HE1 TRP A 27 0.962 -8.693 -5.921 1.00 0.00 H new ATOM 0 HE3 TRP A 27 0.377 -4.302 -2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 2.821 -6.669 -6.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 2.255 -3.224 -4.054 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.459 -4.394 -5.853 1.00 0.00 H new ATOM 410 N TRP A 28 -1.799 -9.308 -0.829 1.00 0.00 N ATOM 411 CA TRP A 28 -1.691 -10.748 -0.635 1.00 0.00 C ATOM 412 C TRP A 28 -2.986 -11.454 -1.029 1.00 0.00 C ATOM 413 O TRP A 28 -3.935 -10.824 -1.501 1.00 0.00 O ATOM 414 CB TRP A 28 -1.389 -11.035 0.830 1.00 0.00 C ATOM 415 CG TRP A 28 -2.402 -10.435 1.726 1.00 0.00 C ATOM 416 CD1 TRP A 28 -3.543 -11.023 2.160 1.00 0.00 C ATOM 417 CD2 TRP A 28 -2.380 -9.118 2.285 1.00 0.00 C ATOM 418 NE1 TRP A 28 -4.236 -10.158 2.954 1.00 0.00 N ATOM 419 CE2 TRP A 28 -3.545 -8.983 3.054 1.00 0.00 C ATOM 420 CE3 TRP A 28 -1.488 -8.042 2.215 1.00 0.00 C ATOM 421 CZ2 TRP A 28 -3.851 -7.817 3.748 1.00 0.00 C ATOM 422 CZ3 TRP A 28 -1.791 -6.884 2.906 1.00 0.00 C ATOM 423 CH2 TRP A 28 -2.964 -6.780 3.666 1.00 0.00 C ATOM 0 H TRP A 28 -2.756 -8.959 -0.879 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.887 -11.123 -1.269 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.355 -12.113 0.990 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.403 -10.644 1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.857 -12.027 1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -5.130 -10.357 3.403 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.581 -8.115 1.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.757 -7.734 4.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -1.112 -6.045 2.860 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.171 -5.863 4.197 1.00 0.00 H new ATOM 434 N SER A 29 -3.020 -12.765 -0.811 1.00 0.00 N ATOM 435 CA SER A 29 -4.195 -13.572 -1.117 1.00 0.00 C ATOM 436 C SER A 29 -4.599 -14.392 0.105 1.00 0.00 C ATOM 437 O SER A 29 -3.755 -15.021 0.742 1.00 0.00 O ATOM 438 CB SER A 29 -3.914 -14.498 -2.302 1.00 0.00 C ATOM 439 OG SER A 29 -3.464 -13.764 -3.428 1.00 0.00 O ATOM 0 H SER A 29 -2.240 -13.294 -0.420 1.00 0.00 H new ATOM 0 HA SER A 29 -5.015 -12.906 -1.384 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.162 -15.236 -2.021 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.819 -15.048 -2.560 1.00 0.00 H new ATOM 0 HG SER A 29 -3.290 -14.379 -4.171 1.00 0.00 H new ATOM 445 N ASP A 30 -5.886 -14.374 0.438 1.00 0.00 N ATOM 446 CA ASP A 30 -6.376 -15.114 1.600 1.00 0.00 C ATOM 447 C ASP A 30 -7.338 -16.224 1.191 1.00 0.00 C ATOM 448 O ASP A 30 -7.327 -17.314 1.762 1.00 0.00 O ATOM 449 CB ASP A 30 -7.067 -14.160 2.576 1.00 0.00 C ATOM 450 CG ASP A 30 -6.780 -14.507 4.024 1.00 0.00 C ATOM 451 OD1 ASP A 30 -6.854 -15.702 4.374 1.00 0.00 O ATOM 452 OD2 ASP A 30 -6.483 -13.581 4.807 1.00 0.00 O ATOM 0 H ASP A 30 -6.604 -13.861 -0.074 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.517 -15.575 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.738 -13.140 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.143 -14.186 2.405 1.00 0.00 H new ATOM 457 N HIS A 31 -8.169 -15.933 0.202 1.00 0.00 N ATOM 458 CA HIS A 31 -9.147 -16.891 -0.295 1.00 0.00 C ATOM 459 C HIS A 31 -9.957 -16.258 -1.414 1.00 0.00 C ATOM 460 O HIS A 31 -10.826 -15.422 -1.164 1.00 0.00 O ATOM 461 CB HIS A 31 -10.075 -17.349 0.833 1.00 0.00 C ATOM 462 CG HIS A 31 -10.748 -16.220 1.549 1.00 0.00 C ATOM 463 ND1 HIS A 31 -11.996 -15.746 1.202 1.00 0.00 N ATOM 464 CD2 HIS A 31 -10.341 -15.469 2.600 1.00 0.00 C ATOM 465 CE1 HIS A 31 -12.327 -14.752 2.008 1.00 0.00 C ATOM 466 NE2 HIS A 31 -11.341 -14.565 2.865 1.00 0.00 N ATOM 0 H HIS A 31 -8.186 -15.032 -0.277 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.620 -17.764 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.836 -18.012 0.420 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.500 -17.933 1.552 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -9.405 -15.563 3.131 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.248 -14.189 1.971 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.324 -13.863 3.605 1.00 0.00 H new ATOM 475 N ARG A 32 -9.663 -16.655 -2.649 1.00 0.00 N ATOM 476 CA ARG A 32 -10.341 -16.133 -3.810 1.00 0.00 C ATOM 477 C ARG A 32 -10.554 -14.626 -3.687 1.00 0.00 C ATOM 478 O ARG A 32 -11.543 -14.078 -4.173 1.00 0.00 O ATOM 479 CB ARG A 32 -11.658 -16.861 -3.989 1.00 0.00 C ATOM 480 CG ARG A 32 -11.624 -18.321 -3.561 1.00 0.00 C ATOM 481 CD ARG A 32 -12.433 -18.553 -2.297 1.00 0.00 C ATOM 482 NE ARG A 32 -12.768 -19.962 -2.118 1.00 0.00 N ATOM 483 CZ ARG A 32 -13.845 -20.546 -2.641 1.00 0.00 C ATOM 484 NH1 ARG A 32 -14.693 -19.849 -3.387 1.00 0.00 N ATOM 485 NH2 ARG A 32 -14.071 -21.834 -2.421 1.00 0.00 N ATOM 0 H ARG A 32 -8.946 -17.348 -2.863 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.722 -16.299 -4.692 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.428 -16.343 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -11.951 -16.808 -5.038 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -12.016 -18.945 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.591 -18.628 -3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.867 -18.202 -1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.349 -17.964 -2.339 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.138 -20.536 -1.557 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.522 -18.859 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -15.515 -20.303 -3.784 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.421 -22.376 -1.852 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.895 -22.283 -2.821 1.00 0.00 H new ATOM 499 N GLY A 33 -9.603 -13.968 -3.025 1.00 0.00 N ATOM 500 CA GLY A 33 -9.672 -12.535 -2.828 1.00 0.00 C ATOM 501 C GLY A 33 -8.332 -11.962 -2.408 1.00 0.00 C ATOM 502 O GLY A 33 -7.665 -12.506 -1.523 1.00 0.00 O ATOM 0 H GLY A 33 -8.779 -14.411 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.000 -12.056 -3.751 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.420 -12.308 -2.068 1.00 0.00 H new ATOM 506 N THR A 34 -7.930 -10.870 -3.050 1.00 0.00 N ATOM 507 CA THR A 34 -6.656 -10.231 -2.745 1.00 0.00 C ATOM 508 C THR A 34 -6.862 -8.890 -2.048 1.00 0.00 C ATOM 509 O THR A 34 -7.707 -8.091 -2.450 1.00 0.00 O ATOM 510 CB THR A 34 -5.845 -10.035 -4.028 1.00 0.00 C ATOM 511 OG1 THR A 34 -5.612 -11.277 -4.668 1.00 0.00 O ATOM 512 CG2 THR A 34 -4.500 -9.380 -3.795 1.00 0.00 C ATOM 0 H THR A 34 -8.468 -10.410 -3.784 1.00 0.00 H new ATOM 0 HA THR A 34 -6.106 -10.884 -2.067 1.00 0.00 H new ATOM 0 HB THR A 34 -6.448 -9.375 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.094 -11.131 -5.487 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.978 -9.272 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 34 -4.647 -8.397 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.905 -9.999 -3.124 1.00 0.00 H new ATOM 520 N ILE A 35 -6.075 -8.651 -1.004 1.00 0.00 N ATOM 521 CA ILE A 35 -6.157 -7.405 -0.250 1.00 0.00 C ATOM 522 C ILE A 35 -4.929 -6.543 -0.513 1.00 0.00 C ATOM 523 O ILE A 35 -3.856 -7.062 -0.814 1.00 0.00 O ATOM 524 CB ILE A 35 -6.274 -7.669 1.263 1.00 0.00 C ATOM 525 CG1 ILE A 35 -7.398 -8.667 1.543 1.00 0.00 C ATOM 526 CG2 ILE A 35 -6.516 -6.367 2.013 1.00 0.00 C ATOM 527 CD1 ILE A 35 -6.922 -10.098 1.661 1.00 0.00 C ATOM 0 H ILE A 35 -5.372 -9.305 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.053 -6.881 -0.583 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.336 -8.098 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.903 -8.383 2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.137 -8.603 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.596 -6.572 3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.684 -5.685 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.441 -5.911 1.661 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.773 -10.749 1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.443 -10.400 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.206 -10.177 2.479 1.00 0.00 H new ATOM 539 N ILE A 36 -5.089 -5.226 -0.408 1.00 0.00 N ATOM 540 CA ILE A 36 -3.978 -4.310 -0.648 1.00 0.00 C ATOM 541 C ILE A 36 -3.980 -3.147 0.346 1.00 0.00 C ATOM 542 O ILE A 36 -5.002 -2.489 0.540 1.00 0.00 O ATOM 543 CB ILE A 36 -4.020 -3.746 -2.086 1.00 0.00 C ATOM 544 CG1 ILE A 36 -5.217 -2.805 -2.264 1.00 0.00 C ATOM 545 CG2 ILE A 36 -4.080 -4.878 -3.101 1.00 0.00 C ATOM 546 CD1 ILE A 36 -5.359 -2.264 -3.671 1.00 0.00 C ATOM 0 H ILE A 36 -5.969 -4.773 -0.161 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.063 -4.887 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.107 -3.176 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.130 -3.337 -1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.118 -1.970 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.109 -4.462 -4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.198 -5.509 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.976 -5.474 -2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.227 -1.606 -3.722 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.463 -1.704 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.490 -3.092 -4.368 1.00 0.00 H new ATOM 558 N GLU A 37 -2.827 -2.887 0.964 1.00 0.00 N ATOM 559 CA GLU A 37 -2.703 -1.792 1.919 1.00 0.00 C ATOM 560 C GLU A 37 -1.606 -0.826 1.484 1.00 0.00 C ATOM 561 O GLU A 37 -0.779 -1.155 0.634 1.00 0.00 O ATOM 562 CB GLU A 37 -2.407 -2.321 3.329 1.00 0.00 C ATOM 563 CG GLU A 37 -1.846 -3.733 3.362 1.00 0.00 C ATOM 564 CD GLU A 37 -1.472 -4.176 4.763 1.00 0.00 C ATOM 565 OE1 GLU A 37 -1.989 -3.580 5.733 1.00 0.00 O ATOM 566 OE2 GLU A 37 -0.664 -5.119 4.893 1.00 0.00 O ATOM 0 H GLU A 37 -1.969 -3.420 0.819 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.654 -1.260 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.699 -1.650 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.326 -2.294 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.583 -4.423 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.966 -3.786 2.720 1.00 0.00 H new ATOM 573 N ARG A 38 -1.605 0.370 2.064 1.00 0.00 N ATOM 574 CA ARG A 38 -0.608 1.381 1.726 1.00 0.00 C ATOM 575 C ARG A 38 -0.227 2.208 2.949 1.00 0.00 C ATOM 576 O ARG A 38 -0.896 2.154 3.981 1.00 0.00 O ATOM 577 CB ARG A 38 -1.133 2.299 0.616 1.00 0.00 C ATOM 578 CG ARG A 38 -2.639 2.516 0.657 1.00 0.00 C ATOM 579 CD ARG A 38 -3.371 1.504 -0.211 1.00 0.00 C ATOM 580 NE ARG A 38 -3.844 2.093 -1.462 1.00 0.00 N ATOM 581 CZ ARG A 38 -4.798 1.558 -2.220 1.00 0.00 C ATOM 582 NH1 ARG A 38 -5.382 0.421 -1.862 1.00 0.00 N ATOM 583 NH2 ARG A 38 -5.170 2.161 -3.342 1.00 0.00 N ATOM 0 H ARG A 38 -2.282 0.663 2.769 1.00 0.00 H new ATOM 0 HA ARG A 38 0.284 0.865 1.370 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.634 3.265 0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.863 1.875 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.991 2.437 1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.872 3.525 0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.706 0.669 -0.432 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.219 1.099 0.342 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.418 2.966 -1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.100 -0.048 -1.001 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.113 0.016 -2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.725 3.034 -3.623 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.901 1.751 -3.923 1.00 0.00 H new ATOM 597 N GLY A 39 0.853 2.974 2.825 1.00 0.00 N ATOM 598 CA GLY A 39 1.307 3.803 3.927 1.00 0.00 C ATOM 599 C GLY A 39 2.351 4.816 3.498 1.00 0.00 C ATOM 600 O GLY A 39 2.191 5.491 2.481 1.00 0.00 O ATOM 0 H GLY A 39 1.422 3.035 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.454 4.326 4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.722 3.167 4.709 1.00 0.00 H new ATOM 604 N CYS A 40 3.425 4.921 4.275 1.00 0.00 N ATOM 605 CA CYS A 40 4.502 5.858 3.971 1.00 0.00 C ATOM 606 C CYS A 40 5.843 5.323 4.468 1.00 0.00 C ATOM 607 O CYS A 40 6.213 5.527 5.625 1.00 0.00 O ATOM 608 CB CYS A 40 4.212 7.222 4.603 1.00 0.00 C ATOM 609 SG CYS A 40 4.266 8.612 3.426 1.00 0.00 S ATOM 0 H CYS A 40 3.573 4.369 5.120 1.00 0.00 H new ATOM 0 HA CYS A 40 4.558 5.974 2.889 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.227 7.193 5.069 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.936 7.404 5.397 1.00 0.00 H new ATOM 614 N GLY A 41 6.564 4.639 3.586 1.00 0.00 N ATOM 615 CA GLY A 41 7.854 4.085 3.952 1.00 0.00 C ATOM 616 C GLY A 41 8.324 3.023 2.975 1.00 0.00 C ATOM 617 O GLY A 41 7.947 3.038 1.803 1.00 0.00 O ATOM 0 H GLY A 41 6.278 4.458 2.624 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.592 4.886 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.791 3.654 4.951 1.00 0.00 H new ATOM 621 N CYS A 42 9.150 2.099 3.458 1.00 0.00 N ATOM 622 CA CYS A 42 9.668 1.027 2.616 1.00 0.00 C ATOM 623 C CYS A 42 10.169 -0.142 3.463 1.00 0.00 C ATOM 624 O CYS A 42 11.341 -0.516 3.390 1.00 0.00 O ATOM 625 CB CYS A 42 10.793 1.550 1.722 1.00 0.00 C ATOM 626 SG CYS A 42 11.333 0.367 0.447 1.00 0.00 S ATOM 0 H CYS A 42 9.474 2.072 4.425 1.00 0.00 H new ATOM 0 HA CYS A 42 8.853 0.668 1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 42 10.461 2.467 1.235 1.00 0.00 H new ATOM 0 HB3 CYS A 42 11.648 1.812 2.346 1.00 0.00 H new ATOM 631 N PRO A 43 9.284 -0.737 4.281 1.00 0.00 N ATOM 632 CA PRO A 43 9.641 -1.866 5.141 1.00 0.00 C ATOM 633 C PRO A 43 9.668 -3.189 4.381 1.00 0.00 C ATOM 634 O PRO A 43 9.198 -3.273 3.247 1.00 0.00 O ATOM 635 CB PRO A 43 8.520 -1.868 6.177 1.00 0.00 C ATOM 636 CG PRO A 43 7.335 -1.340 5.443 1.00 0.00 C ATOM 637 CD PRO A 43 7.866 -0.354 4.433 1.00 0.00 C ATOM 0 HA PRO A 43 10.640 -1.765 5.564 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.335 -2.872 6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.769 -1.241 7.033 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.792 -2.147 4.950 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.637 -0.858 6.127 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.329 -0.422 3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.764 0.673 4.784 1.00 0.00 H new ATOM 645 N LYS A 44 10.219 -4.219 5.013 1.00 0.00 N ATOM 646 CA LYS A 44 10.306 -5.538 4.395 1.00 0.00 C ATOM 647 C LYS A 44 9.105 -6.396 4.782 1.00 0.00 C ATOM 648 O LYS A 44 8.192 -5.931 5.463 1.00 0.00 O ATOM 649 CB LYS A 44 11.605 -6.233 4.806 1.00 0.00 C ATOM 650 CG LYS A 44 12.615 -6.351 3.676 1.00 0.00 C ATOM 651 CD LYS A 44 13.703 -7.360 4.003 1.00 0.00 C ATOM 652 CE LYS A 44 14.749 -6.771 4.934 1.00 0.00 C ATOM 653 NZ LYS A 44 16.032 -7.525 4.878 1.00 0.00 N ATOM 0 H LYS A 44 10.612 -4.167 5.953 1.00 0.00 H new ATOM 0 HA LYS A 44 10.303 -5.409 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.057 -5.682 5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.372 -7.230 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.104 -6.649 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.066 -5.377 3.487 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.257 -8.240 4.466 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.181 -7.692 3.081 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.928 -5.730 4.666 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.369 -6.776 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.718 -7.091 5.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.867 -8.513 5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.408 -7.499 3.909 1.00 0.00 H new ATOM 667 N VAL A 45 9.113 -7.650 4.344 1.00 0.00 N ATOM 668 CA VAL A 45 8.023 -8.570 4.647 1.00 0.00 C ATOM 669 C VAL A 45 8.474 -10.022 4.534 1.00 0.00 C ATOM 670 O VAL A 45 9.560 -10.309 4.028 1.00 0.00 O ATOM 671 CB VAL A 45 6.822 -8.346 3.709 1.00 0.00 C ATOM 672 CG1 VAL A 45 6.073 -7.078 4.091 1.00 0.00 C ATOM 673 CG2 VAL A 45 7.281 -8.287 2.260 1.00 0.00 C ATOM 0 H VAL A 45 9.861 -8.052 3.779 1.00 0.00 H new ATOM 0 HA VAL A 45 7.719 -8.367 5.674 1.00 0.00 H new ATOM 0 HB VAL A 45 6.139 -9.189 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.228 -6.937 3.417 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.710 -7.165 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.744 -6.222 4.015 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.419 -8.128 1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.986 -7.465 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.767 -9.225 1.994 1.00 0.00 H new ATOM 683 N LYS A 46 7.633 -10.932 5.012 1.00 0.00 N ATOM 684 CA LYS A 46 7.932 -12.350 4.973 1.00 0.00 C ATOM 685 C LYS A 46 7.655 -12.924 3.584 1.00 0.00 C ATOM 686 O LYS A 46 7.094 -12.242 2.726 1.00 0.00 O ATOM 687 CB LYS A 46 7.106 -13.083 6.036 1.00 0.00 C ATOM 688 CG LYS A 46 5.625 -13.163 5.705 1.00 0.00 C ATOM 689 CD LYS A 46 4.783 -12.384 6.703 1.00 0.00 C ATOM 690 CE LYS A 46 4.860 -12.996 8.093 1.00 0.00 C ATOM 691 NZ LYS A 46 4.113 -14.282 8.175 1.00 0.00 N ATOM 0 H LYS A 46 6.732 -10.705 5.434 1.00 0.00 H new ATOM 0 HA LYS A 46 8.991 -12.492 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.498 -14.093 6.157 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.229 -12.577 6.993 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.455 -12.772 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.309 -14.206 5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.125 -11.350 6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.746 -12.365 6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.904 -13.165 8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.455 -12.294 8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.104 -14.616 9.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.136 -14.137 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.577 -14.992 7.573 1.00 0.00 H new ATOM 705 N PRO A 47 8.039 -14.191 3.338 1.00 0.00 N ATOM 706 CA PRO A 47 7.819 -14.833 2.053 1.00 0.00 C ATOM 707 C PRO A 47 6.378 -15.305 1.888 1.00 0.00 C ATOM 708 O PRO A 47 6.094 -16.502 1.923 1.00 0.00 O ATOM 709 CB PRO A 47 8.786 -16.019 2.059 1.00 0.00 C ATOM 710 CG PRO A 47 9.275 -16.188 3.449 1.00 0.00 C ATOM 711 CD PRO A 47 8.704 -15.084 4.291 1.00 0.00 C ATOM 0 HA PRO A 47 7.991 -14.149 1.222 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.285 -16.924 1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.618 -15.838 1.379 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.973 -17.159 3.842 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.364 -16.159 3.474 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.000 -15.472 5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.486 -14.562 4.842 1.00 0.00 H new ATOM 719 N GLY A 48 5.473 -14.349 1.709 1.00 0.00 N ATOM 720 CA GLY A 48 4.069 -14.669 1.539 1.00 0.00 C ATOM 721 C GLY A 48 3.257 -13.464 1.111 1.00 0.00 C ATOM 722 O GLY A 48 2.367 -13.570 0.267 1.00 0.00 O ATOM 0 H GLY A 48 5.689 -13.353 1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.965 -15.458 0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.671 -15.060 2.475 1.00 0.00 H new ATOM 726 N VAL A 49 3.571 -12.315 1.696 1.00 0.00 N ATOM 727 CA VAL A 49 2.875 -11.074 1.377 1.00 0.00 C ATOM 728 C VAL A 49 3.723 -10.200 0.458 1.00 0.00 C ATOM 729 O VAL A 49 4.890 -9.932 0.746 1.00 0.00 O ATOM 730 CB VAL A 49 2.531 -10.279 2.652 1.00 0.00 C ATOM 731 CG1 VAL A 49 1.665 -9.074 2.315 1.00 0.00 C ATOM 732 CG2 VAL A 49 1.841 -11.174 3.671 1.00 0.00 C ATOM 0 H VAL A 49 4.306 -12.216 2.396 1.00 0.00 H new ATOM 0 HA VAL A 49 1.949 -11.346 0.870 1.00 0.00 H new ATOM 0 HB VAL A 49 3.460 -9.916 3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.433 -8.526 3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.202 -8.421 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.739 -9.410 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.606 -10.595 4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.920 -11.570 3.243 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.502 -11.999 3.937 1.00 0.00 H new ATOM 742 N ASN A 50 3.134 -9.763 -0.650 1.00 0.00 N ATOM 743 CA ASN A 50 3.846 -8.924 -1.610 1.00 0.00 C ATOM 744 C ASN A 50 3.845 -7.464 -1.169 1.00 0.00 C ATOM 745 O ASN A 50 2.921 -7.005 -0.499 1.00 0.00 O ATOM 746 CB ASN A 50 3.219 -9.039 -3.003 1.00 0.00 C ATOM 747 CG ASN A 50 2.653 -10.420 -3.281 1.00 0.00 C ATOM 748 OD1 ASN A 50 3.387 -11.347 -3.626 1.00 0.00 O ATOM 749 ND2 ASN A 50 1.341 -10.563 -3.133 1.00 0.00 N ATOM 0 H ASN A 50 2.169 -9.974 -0.906 1.00 0.00 H new ATOM 0 HA ASN A 50 4.876 -9.277 -1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.425 -8.299 -3.101 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.971 -8.801 -3.756 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.904 -11.468 -3.307 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.771 -9.768 -2.845 1.00 0.00 H new ATOM 756 N LEU A 51 4.892 -6.743 -1.550 1.00 0.00 N ATOM 757 CA LEU A 51 5.026 -5.337 -1.202 1.00 0.00 C ATOM 758 C LEU A 51 6.018 -4.649 -2.138 1.00 0.00 C ATOM 759 O LEU A 51 6.987 -5.263 -2.584 1.00 0.00 O ATOM 760 CB LEU A 51 5.489 -5.205 0.247 1.00 0.00 C ATOM 761 CG LEU A 51 5.857 -3.789 0.685 1.00 0.00 C ATOM 762 CD1 LEU A 51 4.604 -2.996 1.010 1.00 0.00 C ATOM 763 CD2 LEU A 51 6.792 -3.839 1.882 1.00 0.00 C ATOM 0 H LEU A 51 5.665 -7.113 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 51 4.056 -4.852 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.699 -5.576 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.355 -5.851 0.395 1.00 0.00 H new ATOM 0 HG LEU A 51 6.374 -3.288 -0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.881 -1.989 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.969 -2.941 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.061 -3.488 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.048 -2.824 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.299 -4.352 2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.701 -4.377 1.612 1.00 0.00 H new ATOM 775 N ASN A 52 5.776 -3.375 -2.432 1.00 0.00 N ATOM 776 CA ASN A 52 6.667 -2.626 -3.318 1.00 0.00 C ATOM 777 C ASN A 52 6.665 -1.129 -2.997 1.00 0.00 C ATOM 778 O ASN A 52 5.611 -0.499 -2.924 1.00 0.00 O ATOM 779 CB ASN A 52 6.280 -2.864 -4.785 1.00 0.00 C ATOM 780 CG ASN A 52 5.240 -1.885 -5.300 1.00 0.00 C ATOM 781 OD1 ASN A 52 5.445 -1.226 -6.320 1.00 0.00 O ATOM 782 ND2 ASN A 52 4.118 -1.783 -4.598 1.00 0.00 N ATOM 0 H ASN A 52 4.982 -2.843 -2.076 1.00 0.00 H new ATOM 0 HA ASN A 52 7.681 -2.991 -3.154 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.174 -2.793 -5.405 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.897 -3.879 -4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.385 -1.140 -4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.989 -2.348 -3.758 1.00 0.00 H new ATOM 789 N CYS A 53 7.861 -0.572 -2.813 1.00 0.00 N ATOM 790 CA CYS A 53 8.019 0.841 -2.509 1.00 0.00 C ATOM 791 C CYS A 53 8.082 1.665 -3.791 1.00 0.00 C ATOM 792 O CYS A 53 8.427 1.151 -4.855 1.00 0.00 O ATOM 793 CB CYS A 53 9.292 1.056 -1.693 1.00 0.00 C ATOM 794 SG CYS A 53 9.599 -0.223 -0.430 1.00 0.00 S ATOM 0 H CYS A 53 8.739 -1.087 -2.871 1.00 0.00 H new ATOM 0 HA CYS A 53 7.156 1.168 -1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 53 10.144 1.091 -2.373 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.236 2.028 -1.203 1.00 0.00 H new ATOM 799 N CYS A 54 7.751 2.946 -3.680 1.00 0.00 N ATOM 800 CA CYS A 54 7.771 3.845 -4.829 1.00 0.00 C ATOM 801 C CYS A 54 7.832 5.286 -4.386 1.00 0.00 C ATOM 802 O CYS A 54 7.403 5.643 -3.291 1.00 0.00 O ATOM 803 CB CYS A 54 6.555 3.613 -5.729 1.00 0.00 C ATOM 804 SG CYS A 54 5.052 3.081 -4.845 1.00 0.00 S ATOM 0 H CYS A 54 7.465 3.386 -2.806 1.00 0.00 H new ATOM 0 HA CYS A 54 8.669 3.626 -5.406 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.337 4.535 -6.269 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.809 2.859 -6.475 1.00 0.00 H new ATOM 809 N ARG A 55 8.413 6.101 -5.245 1.00 0.00 N ATOM 810 CA ARG A 55 8.598 7.501 -4.964 1.00 0.00 C ATOM 811 C ARG A 55 7.796 8.383 -5.921 1.00 0.00 C ATOM 812 O ARG A 55 8.317 9.355 -6.469 1.00 0.00 O ATOM 813 CB ARG A 55 10.088 7.821 -5.059 1.00 0.00 C ATOM 814 CG ARG A 55 10.979 6.605 -5.281 1.00 0.00 C ATOM 815 CD ARG A 55 12.424 6.897 -4.916 1.00 0.00 C ATOM 816 NE ARG A 55 12.859 8.192 -5.425 1.00 0.00 N ATOM 817 CZ ARG A 55 14.057 8.720 -5.187 1.00 0.00 C ATOM 818 NH1 ARG A 55 14.943 8.066 -4.447 1.00 0.00 N ATOM 819 NH2 ARG A 55 14.370 9.907 -5.689 1.00 0.00 N ATOM 0 H ARG A 55 8.768 5.806 -6.155 1.00 0.00 H new ATOM 0 HA ARG A 55 8.231 7.712 -3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 55 10.245 8.525 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 55 10.399 8.322 -4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 55 10.613 5.771 -4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 55 10.922 6.297 -6.325 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.537 6.876 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 55 13.066 6.114 -5.319 1.00 0.00 H new ATOM 0 HE ARG A 55 12.206 8.726 -5.998 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.707 7.153 -4.057 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.860 8.476 -4.268 1.00 0.00 H new ATOM 0 HH21 ARG A 55 13.692 10.415 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.288 10.312 -5.507 1.00 0.00 H new ATOM 833 N THR A 56 6.523 8.050 -6.111 1.00 0.00 N ATOM 834 CA THR A 56 5.658 8.825 -6.993 1.00 0.00 C ATOM 835 C THR A 56 4.298 9.062 -6.345 1.00 0.00 C ATOM 836 O THR A 56 3.909 8.355 -5.416 1.00 0.00 O ATOM 837 CB THR A 56 5.489 8.128 -8.350 1.00 0.00 C ATOM 838 OG1 THR A 56 4.293 8.547 -8.985 1.00 0.00 O ATOM 839 CG2 THR A 56 5.454 6.615 -8.268 1.00 0.00 C ATOM 0 H THR A 56 6.069 7.251 -5.668 1.00 0.00 H new ATOM 0 HA THR A 56 6.134 9.791 -7.162 1.00 0.00 H new ATOM 0 HB THR A 56 6.371 8.418 -8.921 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.205 8.093 -9.849 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.332 6.199 -9.268 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.386 6.252 -7.835 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.618 6.304 -7.641 1.00 0.00 H new ATOM 847 N ASP A 57 3.582 10.066 -6.840 1.00 0.00 N ATOM 848 CA ASP A 57 2.267 10.400 -6.307 1.00 0.00 C ATOM 849 C ASP A 57 1.246 9.331 -6.681 1.00 0.00 C ATOM 850 O ASP A 57 1.136 8.946 -7.845 1.00 0.00 O ATOM 851 CB ASP A 57 1.816 11.763 -6.832 1.00 0.00 C ATOM 852 CG ASP A 57 2.384 12.912 -6.021 1.00 0.00 C ATOM 853 OD1 ASP A 57 3.545 12.805 -5.572 1.00 0.00 O ATOM 854 OD2 ASP A 57 1.668 13.918 -5.835 1.00 0.00 O ATOM 0 H ASP A 57 3.890 10.662 -7.609 1.00 0.00 H new ATOM 0 HA ASP A 57 2.338 10.444 -5.220 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.124 11.869 -7.872 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.727 11.814 -6.816 1.00 0.00 H new ATOM 859 N ARG A 58 0.506 8.848 -5.687 1.00 0.00 N ATOM 860 CA ARG A 58 -0.498 7.816 -5.917 1.00 0.00 C ATOM 861 C ARG A 58 0.145 6.569 -6.516 1.00 0.00 C ATOM 862 O ARG A 58 -0.480 5.843 -7.289 1.00 0.00 O ATOM 863 CB ARG A 58 -1.592 8.338 -6.853 1.00 0.00 C ATOM 864 CG ARG A 58 -2.405 9.478 -6.262 1.00 0.00 C ATOM 865 CD ARG A 58 -3.583 9.842 -7.152 1.00 0.00 C ATOM 866 NE ARG A 58 -4.691 10.414 -6.391 1.00 0.00 N ATOM 867 CZ ARG A 58 -5.671 11.135 -6.934 1.00 0.00 C ATOM 868 NH1 ARG A 58 -5.683 11.373 -8.240 1.00 0.00 N ATOM 869 NH2 ARG A 58 -6.640 11.618 -6.169 1.00 0.00 N ATOM 0 H ARG A 58 0.583 9.154 -4.717 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.946 7.554 -4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.133 8.674 -7.783 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.263 7.518 -7.107 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.768 9.194 -5.274 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.766 10.351 -6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.258 10.555 -7.909 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.927 8.952 -7.679 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.716 10.252 -5.384 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.940 11.003 -8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.436 11.926 -8.651 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.635 11.438 -5.165 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.390 12.170 -6.584 1.00 0.00 H new ATOM 883 N CYS A 59 1.403 6.336 -6.156 1.00 0.00 N ATOM 884 CA CYS A 59 2.147 5.190 -6.656 1.00 0.00 C ATOM 885 C CYS A 59 1.575 3.876 -6.126 1.00 0.00 C ATOM 886 O CYS A 59 1.671 2.838 -6.780 1.00 0.00 O ATOM 887 CB CYS A 59 3.623 5.328 -6.273 1.00 0.00 C ATOM 888 SG CYS A 59 4.026 4.809 -4.573 1.00 0.00 S ATOM 0 H CYS A 59 1.929 6.931 -5.516 1.00 0.00 H new ATOM 0 HA CYS A 59 2.057 5.169 -7.742 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.220 4.739 -6.969 1.00 0.00 H new ATOM 0 HB3 CYS A 59 3.921 6.369 -6.400 1.00 0.00 H new ATOM 893 N ASN A 60 0.984 3.927 -4.936 1.00 0.00 N ATOM 894 CA ASN A 60 0.402 2.739 -4.320 1.00 0.00 C ATOM 895 C ASN A 60 -1.111 2.713 -4.512 1.00 0.00 C ATOM 896 O ASN A 60 -1.870 2.611 -3.547 1.00 0.00 O ATOM 897 CB ASN A 60 0.745 2.695 -2.830 1.00 0.00 C ATOM 898 CG ASN A 60 0.407 3.991 -2.120 1.00 0.00 C ATOM 899 OD1 ASN A 60 -0.251 4.867 -2.682 1.00 0.00 O ATOM 900 ND2 ASN A 60 0.857 4.121 -0.877 1.00 0.00 N ATOM 0 H ASN A 60 0.895 4.777 -4.379 1.00 0.00 H new ATOM 0 HA ASN A 60 0.824 1.860 -4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.203 1.874 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.808 2.485 -2.711 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.661 4.972 -0.350 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.399 3.370 -0.450 1.00 0.00 H new ATOM 907 N ASN A 61 -1.543 2.807 -5.765 1.00 0.00 N ATOM 908 CA ASN A 61 -2.963 2.796 -6.089 1.00 0.00 C ATOM 909 C ASN A 61 -3.304 1.586 -6.959 1.00 0.00 C ATOM 910 O ASN A 61 -4.226 0.831 -6.585 1.00 0.00 O ATOM 911 CB ASN A 61 -3.347 4.106 -6.795 1.00 0.00 C ATOM 912 CG ASN A 61 -4.433 3.930 -7.841 1.00 0.00 C ATOM 913 OD1 ASN A 61 -5.599 4.249 -7.606 1.00 0.00 O ATOM 914 ND2 ASN A 61 -4.049 3.419 -9.003 1.00 0.00 N ATOM 915 OXT ASN A 61 -2.647 1.408 -8.006 1.00 0.00 O ATOM 0 H ASN A 61 -0.928 2.892 -6.574 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.538 2.718 -5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.684 4.827 -6.050 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.461 4.528 -7.269 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -4.731 3.276 -9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.071 3.169 -9.152 1.00 0.00 H new