USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 376 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 34 CYS SG : rot 7:sc= -26! USER MOD Set 1.2: A 40 CYS SG : rot 156:sc= -25.8! USER MOD Set 2.1: A 24 TYR OH : rot 43:sc= 0.00728 USER MOD Set 2.2: A 26 SER OG : rot 89:sc= 1.32 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.117 F(o=-1.4,f=-0.12) USER MOD Single : A 4 ASN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 5 THR OG1 : rot -47:sc= 1.04 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00188 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.63) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.423 F(o=-1.2,f=-0.42) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot -90:sc= 0.288 USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= 0.411 (180deg=0.347) USER MOD Single : A 33 SER OG : rot 41:sc= 1.18 USER MOD Single : A 37 GLN :FLIP amide:sc= -1.15 F(o=-2.3!,f=-1.1) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.796 K(o=-0.8,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.008 0.094 -0.164 1.00 33.51 N ATOM 2 CA LEU A 1 1.810 0.081 -1.382 1.00 4.40 C ATOM 3 C LEU A 1 2.461 -1.282 -1.592 1.00 22.13 C ATOM 4 O LEU A 1 2.764 -1.989 -0.631 1.00 63.44 O ATOM 5 CB LEU A 1 2.885 1.168 -1.319 1.00 23.13 C ATOM 6 CG LEU A 1 2.987 2.084 -2.539 1.00 72.52 C ATOM 7 CD1 LEU A 1 3.452 1.300 -3.757 1.00 12.21 C ATOM 8 CD2 LEU A 1 1.650 2.756 -2.814 1.00 53.10 C ATOM 0 H1 LEU A 1 0.575 1.032 -0.043 1.00 33.51 H new ATOM 0 H2 LEU A 1 0.260 -0.626 -0.233 1.00 33.51 H new ATOM 0 H3 LEU A 1 1.615 -0.115 0.654 1.00 33.51 H new ATOM 0 HA LEU A 1 1.148 0.280 -2.225 1.00 4.40 H new ATOM 0 HB2 LEU A 1 2.697 1.786 -0.441 1.00 23.13 H new ATOM 0 HB3 LEU A 1 3.851 0.687 -1.170 1.00 23.13 H new ATOM 0 HG LEU A 1 3.724 2.859 -2.328 1.00 72.52 H new ATOM 0 HD11 LEU A 1 3.519 1.968 -4.616 1.00 12.21 H new ATOM 0 HD12 LEU A 1 4.432 0.866 -3.558 1.00 12.21 H new ATOM 0 HD13 LEU A 1 2.739 0.504 -3.971 1.00 12.21 H new ATOM 0 HD21 LEU A 1 1.741 3.404 -3.686 1.00 53.10 H new ATOM 0 HD22 LEU A 1 0.893 1.995 -3.005 1.00 53.10 H new ATOM 0 HD23 LEU A 1 1.357 3.351 -1.949 1.00 53.10 H new ATOM 20 N GLN A 2 2.674 -1.643 -2.853 1.00 43.51 N ATOM 21 CA GLN A 2 3.291 -2.921 -3.188 1.00 52.20 C ATOM 22 C GLN A 2 4.432 -2.731 -4.182 1.00 74.03 C ATOM 23 O GLN A 2 4.416 -1.803 -4.991 1.00 44.41 O ATOM 24 CB GLN A 2 2.248 -3.878 -3.767 1.00 54.13 C ATOM 25 CG GLN A 2 1.779 -4.936 -2.781 1.00 51.15 C ATOM 26 CD GLN A 2 0.950 -6.021 -3.440 1.00 61.01 C ATOM 27 OE1 GLN A 2 1.596 -6.847 -4.255 1.00 3.32 O flip ATOM 28 NE2 GLN A 2 -0.258 -6.116 -3.220 1.00 20.45 N flip ATOM 0 H GLN A 2 2.429 -1.069 -3.659 1.00 43.51 H new ATOM 0 HA GLN A 2 3.699 -3.350 -2.273 1.00 52.20 H new ATOM 0 HB2 GLN A 2 1.387 -3.302 -4.106 1.00 54.13 H new ATOM 0 HB3 GLN A 2 2.667 -4.371 -4.644 1.00 54.13 H new ATOM 0 HG2 GLN A 2 2.646 -5.388 -2.300 1.00 51.15 H new ATOM 0 HG3 GLN A 2 1.191 -4.461 -1.996 1.00 51.15 H new ATOM 0 HE21 GLN A 2 -0.714 -5.460 -2.586 1.00 20.45 H new ATOM 0 HE22 GLN A 2 -0.802 -6.851 -3.671 1.00 20.45 H new ATOM 37 N CYS A 3 5.420 -3.616 -4.117 1.00 25.34 N ATOM 38 CA CYS A 3 6.570 -3.547 -5.010 1.00 4.30 C ATOM 39 C CYS A 3 6.909 -4.926 -5.569 1.00 51.53 C ATOM 40 O CYS A 3 6.675 -5.944 -4.921 1.00 32.24 O ATOM 41 CB CYS A 3 7.781 -2.972 -4.273 1.00 5.04 C ATOM 42 SG CYS A 3 7.404 -1.518 -3.243 1.00 14.43 S ATOM 0 H CYS A 3 5.447 -4.391 -3.454 1.00 25.34 H new ATOM 0 HA CYS A 3 6.313 -2.890 -5.841 1.00 4.30 H new ATOM 0 HB2 CYS A 3 8.211 -3.749 -3.642 1.00 5.04 H new ATOM 0 HB3 CYS A 3 8.542 -2.698 -5.004 1.00 5.04 H new ATOM 47 N ASN A 4 7.462 -4.948 -6.778 1.00 35.31 N ATOM 48 CA ASN A 4 7.832 -6.201 -7.425 1.00 63.52 C ATOM 49 C ASN A 4 9.141 -6.741 -6.856 1.00 70.34 C ATOM 50 O ASN A 4 9.903 -6.012 -6.220 1.00 53.03 O ATOM 51 CB ASN A 4 7.965 -5.999 -8.936 1.00 72.51 C ATOM 52 CG ASN A 4 6.629 -5.733 -9.603 1.00 62.11 C ATOM 53 OD1 ASN A 4 6.050 -6.618 -10.233 1.00 71.11 O ATOM 54 ND2 ASN A 4 6.134 -4.508 -9.467 1.00 60.44 N ATOM 0 H ASN A 4 7.663 -4.113 -7.328 1.00 35.31 H new ATOM 0 HA ASN A 4 7.044 -6.928 -7.230 1.00 63.52 H new ATOM 0 HB2 ASN A 4 8.638 -5.164 -9.130 1.00 72.51 H new ATOM 0 HB3 ASN A 4 8.420 -6.885 -9.380 1.00 72.51 H new ATOM 0 HD21 ASN A 4 5.239 -4.269 -9.894 1.00 60.44 H new ATOM 0 HD22 ASN A 4 6.649 -3.806 -8.936 1.00 60.44 H new ATOM 61 N THR A 5 9.397 -8.025 -7.090 1.00 51.21 N ATOM 62 CA THR A 5 10.612 -8.663 -6.601 1.00 64.12 C ATOM 63 C THR A 5 11.390 -9.311 -7.741 1.00 42.53 C ATOM 64 O THR A 5 10.818 -9.673 -8.770 1.00 53.51 O ATOM 65 CB THR A 5 10.297 -9.732 -5.538 1.00 71.21 C ATOM 66 OG1 THR A 5 9.717 -10.885 -6.159 1.00 50.33 O ATOM 67 CG2 THR A 5 9.345 -9.184 -4.485 1.00 61.35 C ATOM 0 H THR A 5 8.778 -8.643 -7.615 1.00 51.21 H new ATOM 0 HA THR A 5 11.220 -7.879 -6.149 1.00 64.12 H new ATOM 0 HB THR A 5 11.230 -10.014 -5.050 1.00 71.21 H new ATOM 0 HG1 THR A 5 9.013 -10.603 -6.779 1.00 50.33 H new ATOM 0 HG21 THR A 5 9.137 -9.957 -3.745 1.00 61.35 H new ATOM 0 HG22 THR A 5 9.801 -8.325 -3.994 1.00 61.35 H new ATOM 0 HG23 THR A 5 8.414 -8.877 -4.961 1.00 61.35 H new ATOM 75 N LEU A 6 12.697 -9.454 -7.553 1.00 22.45 N ATOM 76 CA LEU A 6 13.554 -10.060 -8.566 1.00 5.22 C ATOM 77 C LEU A 6 13.218 -11.536 -8.753 1.00 54.41 C ATOM 78 O LEU A 6 13.527 -12.127 -9.788 1.00 13.32 O ATOM 79 CB LEU A 6 15.026 -9.906 -8.175 1.00 75.25 C ATOM 80 CG LEU A 6 15.566 -10.932 -7.178 1.00 51.41 C ATOM 81 CD1 LEU A 6 16.137 -12.137 -7.908 1.00 42.05 C ATOM 82 CD2 LEU A 6 16.621 -10.299 -6.282 1.00 32.41 C ATOM 0 H LEU A 6 13.187 -9.159 -6.708 1.00 22.45 H new ATOM 0 HA LEU A 6 13.378 -9.544 -9.510 1.00 5.22 H new ATOM 0 HB2 LEU A 6 15.629 -9.957 -9.081 1.00 75.25 H new ATOM 0 HB3 LEU A 6 15.167 -8.911 -7.754 1.00 75.25 H new ATOM 0 HG LEU A 6 14.741 -11.271 -6.551 1.00 51.41 H new ATOM 0 HD11 LEU A 6 16.516 -12.856 -7.182 1.00 42.05 H new ATOM 0 HD12 LEU A 6 15.355 -12.604 -8.507 1.00 42.05 H new ATOM 0 HD13 LEU A 6 16.950 -11.816 -8.560 1.00 42.05 H new ATOM 0 HD21 LEU A 6 16.995 -11.043 -5.578 1.00 32.41 H new ATOM 0 HD22 LEU A 6 17.445 -9.932 -6.894 1.00 32.41 H new ATOM 0 HD23 LEU A 6 16.180 -9.468 -5.731 1.00 32.41 H new ATOM 94 N ASP A 7 12.581 -12.124 -7.747 1.00 12.14 N ATOM 95 CA ASP A 7 12.198 -13.530 -7.801 1.00 65.23 C ATOM 96 C ASP A 7 10.969 -13.725 -8.683 1.00 32.12 C ATOM 97 O ASP A 7 10.544 -14.852 -8.933 1.00 62.32 O ATOM 98 CB ASP A 7 11.922 -14.061 -6.394 1.00 14.42 C ATOM 99 CG ASP A 7 11.938 -15.575 -6.332 1.00 74.33 C ATOM 100 OD1 ASP A 7 12.657 -16.194 -7.144 1.00 21.02 O ATOM 101 OD2 ASP A 7 11.230 -16.142 -5.473 1.00 71.23 O ATOM 0 H ASP A 7 12.319 -11.649 -6.884 1.00 12.14 H new ATOM 0 HA ASP A 7 13.026 -14.090 -8.235 1.00 65.23 H new ATOM 0 HB2 ASP A 7 12.669 -13.664 -5.706 1.00 14.42 H new ATOM 0 HB3 ASP A 7 10.952 -13.697 -6.055 1.00 14.42 H new ATOM 106 N GLY A 8 10.400 -12.618 -9.150 1.00 41.31 N ATOM 107 CA GLY A 8 9.224 -12.688 -9.997 1.00 60.44 C ATOM 108 C GLY A 8 7.935 -12.551 -9.212 1.00 53.42 C ATOM 109 O GLY A 8 6.856 -12.438 -9.792 1.00 74.31 O ATOM 0 H GLY A 8 10.733 -11.673 -8.957 1.00 41.31 H new ATOM 0 HA2 GLY A 8 9.274 -11.900 -10.748 1.00 60.44 H new ATOM 0 HA3 GLY A 8 9.221 -13.638 -10.531 1.00 60.44 H new ATOM 113 N GLY A 9 8.046 -12.561 -7.887 1.00 43.43 N ATOM 114 CA GLY A 9 6.872 -12.437 -7.043 1.00 44.20 C ATOM 115 C GLY A 9 6.615 -11.006 -6.614 1.00 41.00 C ATOM 116 O GLY A 9 7.371 -10.099 -6.964 1.00 1.24 O ATOM 0 H GLY A 9 8.928 -12.653 -7.383 1.00 43.43 H new ATOM 0 HA2 GLY A 9 6.001 -12.814 -7.579 1.00 44.20 H new ATOM 0 HA3 GLY A 9 6.997 -13.061 -6.158 1.00 44.20 H new ATOM 120 N THR A 10 5.543 -10.801 -5.855 1.00 2.03 N ATOM 121 CA THR A 10 5.186 -9.470 -5.380 1.00 20.21 C ATOM 122 C THR A 10 5.421 -9.340 -3.879 1.00 71.43 C ATOM 123 O THR A 10 5.229 -10.295 -3.128 1.00 20.54 O ATOM 124 CB THR A 10 3.713 -9.140 -5.688 1.00 23.20 C ATOM 125 OG1 THR A 10 2.896 -10.296 -5.471 1.00 25.14 O ATOM 126 CG2 THR A 10 3.554 -8.664 -7.124 1.00 5.52 C ATOM 0 H THR A 10 4.907 -11.540 -5.556 1.00 2.03 H new ATOM 0 HA THR A 10 5.827 -8.764 -5.908 1.00 20.21 H new ATOM 0 HB THR A 10 3.396 -8.340 -5.019 1.00 23.20 H new ATOM 0 HG1 THR A 10 1.961 -10.077 -5.667 1.00 25.14 H new ATOM 0 HG21 THR A 10 2.506 -8.437 -7.318 1.00 5.52 H new ATOM 0 HG22 THR A 10 4.154 -7.767 -7.279 1.00 5.52 H new ATOM 0 HG23 THR A 10 3.888 -9.446 -7.806 1.00 5.52 H new ATOM 134 N GLU A 11 5.836 -8.153 -3.450 1.00 44.35 N ATOM 135 CA GLU A 11 6.097 -7.900 -2.038 1.00 42.43 C ATOM 136 C GLU A 11 5.358 -6.652 -1.564 1.00 0.24 C ATOM 137 O GLU A 11 5.173 -5.702 -2.323 1.00 55.23 O ATOM 138 CB GLU A 11 7.599 -7.739 -1.795 1.00 23.41 C ATOM 139 CG GLU A 11 8.209 -6.548 -2.515 1.00 31.14 C ATOM 140 CD GLU A 11 9.541 -6.128 -1.923 1.00 74.33 C ATOM 141 OE1 GLU A 11 10.463 -6.969 -1.881 1.00 41.34 O ATOM 142 OE2 GLU A 11 9.660 -4.958 -1.503 1.00 32.32 O ATOM 0 H GLU A 11 5.999 -7.351 -4.059 1.00 44.35 H new ATOM 0 HA GLU A 11 5.734 -8.755 -1.469 1.00 42.43 H new ATOM 0 HB2 GLU A 11 7.776 -7.635 -0.725 1.00 23.41 H new ATOM 0 HB3 GLU A 11 8.110 -8.647 -2.116 1.00 23.41 H new ATOM 0 HG2 GLU A 11 8.345 -6.795 -3.568 1.00 31.14 H new ATOM 0 HG3 GLU A 11 7.516 -5.708 -2.472 1.00 31.14 H new ATOM 149 N GLU A 12 4.938 -6.664 -0.302 1.00 44.43 N ATOM 150 CA GLU A 12 4.218 -5.534 0.273 1.00 2.31 C ATOM 151 C GLU A 12 5.188 -4.517 0.870 1.00 72.53 C ATOM 152 O GLU A 12 6.009 -4.853 1.724 1.00 42.15 O ATOM 153 CB GLU A 12 3.243 -6.016 1.348 1.00 34.45 C ATOM 154 CG GLU A 12 3.886 -6.904 2.400 1.00 4.03 C ATOM 155 CD GLU A 12 2.932 -7.265 3.522 1.00 23.41 C ATOM 156 OE1 GLU A 12 1.966 -6.506 3.746 1.00 60.42 O ATOM 157 OE2 GLU A 12 3.152 -8.306 4.176 1.00 34.20 O ATOM 0 H GLU A 12 5.084 -7.443 0.340 1.00 44.43 H new ATOM 0 HA GLU A 12 3.657 -5.050 -0.526 1.00 2.31 H new ATOM 0 HB2 GLU A 12 2.799 -5.150 1.838 1.00 34.45 H new ATOM 0 HB3 GLU A 12 2.430 -6.563 0.870 1.00 34.45 H new ATOM 0 HG2 GLU A 12 4.247 -7.817 1.927 1.00 4.03 H new ATOM 0 HG3 GLU A 12 4.755 -6.396 2.817 1.00 4.03 H new ATOM 164 N CYS A 13 5.087 -3.274 0.413 1.00 14.44 N ATOM 165 CA CYS A 13 5.954 -2.207 0.900 1.00 73.25 C ATOM 166 C CYS A 13 5.215 -1.316 1.894 1.00 21.43 C ATOM 167 O CYS A 13 4.292 -0.590 1.526 1.00 53.03 O ATOM 168 CB CYS A 13 6.468 -1.366 -0.271 1.00 22.44 C ATOM 169 SG CYS A 13 7.745 -2.191 -1.274 1.00 25.41 S ATOM 0 H CYS A 13 4.413 -2.980 -0.294 1.00 14.44 H new ATOM 0 HA CYS A 13 6.801 -2.665 1.410 1.00 73.25 H new ATOM 0 HB2 CYS A 13 5.627 -1.106 -0.914 1.00 22.44 H new ATOM 0 HB3 CYS A 13 6.873 -0.431 0.117 1.00 22.44 H new ATOM 174 N ILE A 14 5.629 -1.378 3.155 1.00 33.15 N ATOM 175 CA ILE A 14 5.008 -0.576 4.203 1.00 74.45 C ATOM 176 C ILE A 14 5.493 0.868 4.150 1.00 51.24 C ATOM 177 O ILE A 14 6.653 1.149 3.849 1.00 63.23 O ATOM 178 CB ILE A 14 5.299 -1.153 5.601 1.00 60.14 C ATOM 179 CG1 ILE A 14 6.807 -1.195 5.855 1.00 63.34 C ATOM 180 CG2 ILE A 14 4.694 -2.542 5.737 1.00 63.50 C ATOM 181 CD1 ILE A 14 7.176 -1.756 7.210 1.00 2.53 C ATOM 0 H ILE A 14 6.391 -1.975 3.476 1.00 33.15 H new ATOM 0 HA ILE A 14 3.933 -0.602 4.025 1.00 74.45 H new ATOM 0 HB ILE A 14 4.842 -0.505 6.348 1.00 60.14 H new ATOM 0 HG12 ILE A 14 7.281 -1.797 5.080 1.00 63.34 H new ATOM 0 HG13 ILE A 14 7.210 -0.186 5.766 1.00 63.34 H new ATOM 0 HG21 ILE A 14 4.908 -2.936 6.730 1.00 63.50 H new ATOM 0 HG22 ILE A 14 3.615 -2.484 5.594 1.00 63.50 H new ATOM 0 HG23 ILE A 14 5.125 -3.202 4.984 1.00 63.50 H new ATOM 0 HD11 ILE A 14 8.260 -1.756 7.321 1.00 2.53 H new ATOM 0 HD12 ILE A 14 6.731 -1.141 7.992 1.00 2.53 H new ATOM 0 HD13 ILE A 14 6.803 -2.777 7.295 1.00 2.53 H new ATOM 193 N PRO A 15 4.585 1.809 4.451 1.00 61.34 N ATOM 194 CA PRO A 15 4.898 3.241 4.447 1.00 71.23 C ATOM 195 C PRO A 15 5.828 3.634 5.589 1.00 3.01 C ATOM 196 O PRO A 15 5.390 4.185 6.598 1.00 31.42 O ATOM 197 CB PRO A 15 3.529 3.903 4.620 1.00 51.42 C ATOM 198 CG PRO A 15 2.698 2.880 5.314 1.00 0.33 C ATOM 199 CD PRO A 15 3.184 1.546 4.818 1.00 14.33 C ATOM 0 HA PRO A 15 5.421 3.542 3.539 1.00 71.23 H new ATOM 0 HB2 PRO A 15 3.603 4.818 5.208 1.00 51.42 H new ATOM 0 HB3 PRO A 15 3.097 4.177 3.657 1.00 51.42 H new ATOM 0 HG2 PRO A 15 2.807 2.957 6.396 1.00 0.33 H new ATOM 0 HG3 PRO A 15 1.640 3.018 5.089 1.00 0.33 H new ATOM 0 HD2 PRO A 15 3.108 0.779 5.588 1.00 14.33 H new ATOM 0 HD3 PRO A 15 2.603 1.199 3.964 1.00 14.33 H new ATOM 207 N GLY A 16 7.116 3.348 5.423 1.00 61.11 N ATOM 208 CA GLY A 16 8.088 3.679 6.448 1.00 0.24 C ATOM 209 C GLY A 16 9.514 3.433 5.997 1.00 10.10 C ATOM 210 O GLY A 16 10.290 4.374 5.829 1.00 52.44 O ATOM 0 H GLY A 16 7.503 2.893 4.596 1.00 61.11 H new ATOM 0 HA2 GLY A 16 7.974 4.726 6.727 1.00 0.24 H new ATOM 0 HA3 GLY A 16 7.886 3.087 7.341 1.00 0.24 H new ATOM 214 N ILE A 17 9.861 2.165 5.802 1.00 13.33 N ATOM 215 CA ILE A 17 11.203 1.799 5.369 1.00 42.05 C ATOM 216 C ILE A 17 11.280 1.691 3.849 1.00 13.24 C ATOM 217 O ILE A 17 12.314 1.980 3.247 1.00 2.14 O ATOM 218 CB ILE A 17 11.651 0.463 5.990 1.00 33.20 C ATOM 219 CG1 ILE A 17 11.585 0.538 7.517 1.00 42.12 C ATOM 220 CG2 ILE A 17 13.058 0.110 5.532 1.00 51.45 C ATOM 221 CD1 ILE A 17 12.676 1.391 8.127 1.00 34.31 C ATOM 0 H ILE A 17 9.231 1.374 5.937 1.00 13.33 H new ATOM 0 HA ILE A 17 11.871 2.590 5.710 1.00 42.05 H new ATOM 0 HB ILE A 17 10.974 -0.322 5.653 1.00 33.20 H new ATOM 0 HG12 ILE A 17 10.615 0.938 7.812 1.00 42.12 H new ATOM 0 HG13 ILE A 17 11.652 -0.470 7.926 1.00 42.12 H new ATOM 0 HG21 ILE A 17 13.360 -0.837 5.980 1.00 51.45 H new ATOM 0 HG22 ILE A 17 13.075 0.019 4.446 1.00 51.45 H new ATOM 0 HG23 ILE A 17 13.749 0.894 5.842 1.00 51.45 H new ATOM 0 HD11 ILE A 17 12.568 1.399 9.212 1.00 34.31 H new ATOM 0 HD12 ILE A 17 13.650 0.980 7.863 1.00 34.31 H new ATOM 0 HD13 ILE A 17 12.597 2.409 7.747 1.00 34.31 H new ATOM 233 N TYR A 18 10.178 1.275 3.235 1.00 11.22 N ATOM 234 CA TYR A 18 10.120 1.129 1.786 1.00 72.53 C ATOM 235 C TYR A 18 9.114 2.103 1.179 1.00 24.14 C ATOM 236 O TYR A 18 7.928 1.798 1.067 1.00 61.45 O ATOM 237 CB TYR A 18 9.745 -0.307 1.412 1.00 41.41 C ATOM 238 CG TYR A 18 10.479 -1.354 2.219 1.00 13.30 C ATOM 239 CD1 TYR A 18 11.800 -1.163 2.604 1.00 31.11 C ATOM 240 CD2 TYR A 18 9.850 -2.534 2.598 1.00 52.45 C ATOM 241 CE1 TYR A 18 12.474 -2.118 3.341 1.00 40.42 C ATOM 242 CE2 TYR A 18 10.516 -3.493 3.336 1.00 73.04 C ATOM 243 CZ TYR A 18 11.828 -3.281 3.704 1.00 13.43 C ATOM 244 OH TYR A 18 12.495 -4.233 4.439 1.00 24.25 O ATOM 0 H TYR A 18 9.313 1.033 3.718 1.00 11.22 H new ATOM 0 HA TYR A 18 11.107 1.357 1.384 1.00 72.53 H new ATOM 0 HB2 TYR A 18 8.672 -0.441 1.549 1.00 41.41 H new ATOM 0 HB3 TYR A 18 9.953 -0.464 0.354 1.00 41.41 H new ATOM 0 HD1 TYR A 18 12.309 -0.253 2.323 1.00 31.11 H new ATOM 0 HD2 TYR A 18 8.823 -2.704 2.311 1.00 52.45 H new ATOM 0 HE1 TYR A 18 13.501 -1.954 3.631 1.00 40.42 H new ATOM 0 HE2 TYR A 18 10.012 -4.404 3.623 1.00 73.04 H new ATOM 0 HH TYR A 18 11.898 -4.990 4.612 1.00 24.25 H new ATOM 254 N ASN A 19 9.600 3.277 0.790 1.00 15.52 N ATOM 255 CA ASN A 19 8.745 4.298 0.195 1.00 54.11 C ATOM 256 C ASN A 19 9.072 4.488 -1.283 1.00 62.20 C ATOM 257 O ASN A 19 8.320 5.126 -2.020 1.00 22.21 O ATOM 258 CB ASN A 19 8.906 5.625 0.939 1.00 53.31 C ATOM 259 CG ASN A 19 10.118 6.407 0.471 1.00 22.13 C ATOM 260 OD1 ASN A 19 9.996 7.368 -0.288 1.00 50.20 O ATOM 261 ND2 ASN A 19 11.297 5.996 0.924 1.00 42.22 N ATOM 0 H ASN A 19 10.580 3.545 0.876 1.00 15.52 H new ATOM 0 HA ASN A 19 7.711 3.965 0.280 1.00 54.11 H new ATOM 0 HB2 ASN A 19 8.010 6.229 0.797 1.00 53.31 H new ATOM 0 HB3 ASN A 19 8.993 5.431 2.008 1.00 53.31 H new ATOM 0 HD21 ASN A 19 12.149 6.482 0.644 1.00 42.22 H new ATOM 0 HD22 ASN A 19 11.351 5.194 1.552 1.00 42.22 H new ATOM 268 N VAL A 20 10.200 3.929 -1.710 1.00 60.41 N ATOM 269 CA VAL A 20 10.627 4.034 -3.100 1.00 41.12 C ATOM 270 C VAL A 20 10.649 2.667 -3.774 1.00 34.32 C ATOM 271 O VAL A 20 10.436 1.640 -3.127 1.00 51.44 O ATOM 272 CB VAL A 20 12.025 4.671 -3.211 1.00 62.20 C ATOM 273 CG1 VAL A 20 11.982 6.131 -2.789 1.00 11.44 C ATOM 274 CG2 VAL A 20 13.031 3.895 -2.375 1.00 23.15 C ATOM 0 H VAL A 20 10.835 3.399 -1.113 1.00 60.41 H new ATOM 0 HA VAL A 20 9.903 4.673 -3.605 1.00 41.12 H new ATOM 0 HB VAL A 20 12.343 4.629 -4.253 1.00 62.20 H new ATOM 0 HG11 VAL A 20 12.979 6.564 -2.874 1.00 11.44 H new ATOM 0 HG12 VAL A 20 11.293 6.676 -3.434 1.00 11.44 H new ATOM 0 HG13 VAL A 20 11.643 6.201 -1.755 1.00 11.44 H new ATOM 0 HG21 VAL A 20 14.013 4.359 -2.465 1.00 23.15 H new ATOM 0 HG22 VAL A 20 12.720 3.904 -1.330 1.00 23.15 H new ATOM 0 HG23 VAL A 20 13.082 2.866 -2.730 1.00 23.15 H new ATOM 284 N CYS A 21 10.907 2.659 -5.077 1.00 44.32 N ATOM 285 CA CYS A 21 10.957 1.418 -5.840 1.00 42.24 C ATOM 286 C CYS A 21 11.812 1.584 -7.093 1.00 44.13 C ATOM 287 O CYS A 21 11.814 2.643 -7.722 1.00 32.23 O ATOM 288 CB CYS A 21 9.545 0.977 -6.229 1.00 33.34 C ATOM 289 SG CYS A 21 8.516 2.307 -6.929 1.00 61.13 S ATOM 0 H CYS A 21 11.085 3.499 -5.627 1.00 44.32 H new ATOM 0 HA CYS A 21 11.410 0.652 -5.211 1.00 42.24 H new ATOM 0 HB2 CYS A 21 9.616 0.167 -6.955 1.00 33.34 H new ATOM 0 HB3 CYS A 21 9.047 0.572 -5.348 1.00 33.34 H new ATOM 294 N VAL A 22 12.539 0.530 -7.451 1.00 1.00 N ATOM 295 CA VAL A 22 13.398 0.557 -8.629 1.00 53.50 C ATOM 296 C VAL A 22 13.240 -0.715 -9.454 1.00 14.20 C ATOM 297 O VAL A 22 13.156 -1.815 -8.908 1.00 35.31 O ATOM 298 CB VAL A 22 14.879 0.724 -8.240 1.00 72.43 C ATOM 299 CG1 VAL A 22 15.783 0.182 -9.337 1.00 72.40 C ATOM 300 CG2 VAL A 22 15.193 2.184 -7.952 1.00 70.21 C ATOM 0 H VAL A 22 12.550 -0.354 -6.942 1.00 1.00 H new ATOM 0 HA VAL A 22 13.089 1.414 -9.227 1.00 53.50 H new ATOM 0 HB VAL A 22 15.065 0.151 -7.332 1.00 72.43 H new ATOM 0 HG11 VAL A 22 16.826 0.308 -9.045 1.00 72.40 H new ATOM 0 HG12 VAL A 22 15.575 -0.877 -9.490 1.00 72.40 H new ATOM 0 HG13 VAL A 22 15.597 0.726 -10.263 1.00 72.40 H new ATOM 0 HG21 VAL A 22 16.244 2.283 -7.679 1.00 70.21 H new ATOM 0 HG22 VAL A 22 14.991 2.782 -8.841 1.00 70.21 H new ATOM 0 HG23 VAL A 22 14.570 2.535 -7.130 1.00 70.21 H new ATOM 310 N HIS A 23 13.200 -0.557 -10.773 1.00 64.13 N ATOM 311 CA HIS A 23 13.054 -1.694 -11.675 1.00 74.01 C ATOM 312 C HIS A 23 14.218 -1.761 -12.659 1.00 21.34 C ATOM 313 O HIS A 23 14.359 -0.901 -13.528 1.00 65.44 O ATOM 314 CB HIS A 23 11.732 -1.600 -12.438 1.00 13.33 C ATOM 315 CG HIS A 23 11.561 -2.667 -13.474 1.00 35.40 C ATOM 316 ND1 HIS A 23 12.171 -3.867 -13.619 1.00 14.13 N flip ATOM 317 CD2 HIS A 23 10.673 -2.562 -14.524 1.00 3.42 C flip ATOM 318 CE1 HIS A 23 11.646 -4.458 -14.741 1.00 43.23 C flip ATOM 319 NE2 HIS A 23 10.743 -3.651 -15.268 1.00 72.30 N flip ATOM 0 H HIS A 23 13.267 0.347 -11.241 1.00 64.13 H new ATOM 0 HA HIS A 23 13.056 -2.604 -11.075 1.00 74.01 H new ATOM 0 HB2 HIS A 23 10.907 -1.659 -11.728 1.00 13.33 H new ATOM 0 HB3 HIS A 23 11.669 -0.624 -12.920 1.00 13.33 H new ATOM 0 HD2 HIS A 23 10.022 -1.720 -14.709 1.00 3.42 H new ATOM 0 HE1 HIS A 23 11.926 -5.426 -15.130 1.00 43.23 H new ATOM 0 HE2 HIS A 23 10.193 -3.837 -16.107 1.00 72.30 H new ATOM 327 N TYR A 24 15.049 -2.787 -12.514 1.00 64.20 N ATOM 328 CA TYR A 24 16.203 -2.965 -13.387 1.00 44.33 C ATOM 329 C TYR A 24 15.942 -4.057 -14.420 1.00 24.23 C ATOM 330 O TYR A 24 15.767 -5.226 -14.074 1.00 53.13 O ATOM 331 CB TYR A 24 17.444 -3.312 -12.563 1.00 64.23 C ATOM 332 CG TYR A 24 18.725 -3.313 -13.368 1.00 34.42 C ATOM 333 CD1 TYR A 24 19.001 -4.335 -14.269 1.00 10.44 C ATOM 334 CD2 TYR A 24 19.658 -2.294 -13.227 1.00 22.25 C ATOM 335 CE1 TYR A 24 20.170 -4.340 -15.005 1.00 74.43 C ATOM 336 CE2 TYR A 24 20.829 -2.291 -13.960 1.00 73.01 C ATOM 337 CZ TYR A 24 21.080 -3.316 -14.848 1.00 30.31 C ATOM 338 OH TYR A 24 22.246 -3.317 -15.579 1.00 75.55 O ATOM 0 H TYR A 24 14.945 -3.508 -11.800 1.00 64.20 H new ATOM 0 HA TYR A 24 16.376 -2.026 -13.914 1.00 44.33 H new ATOM 0 HB2 TYR A 24 17.539 -2.597 -11.746 1.00 64.23 H new ATOM 0 HB3 TYR A 24 17.307 -4.295 -12.112 1.00 64.23 H new ATOM 0 HD1 TYR A 24 18.290 -5.138 -14.396 1.00 10.44 H new ATOM 0 HD2 TYR A 24 19.465 -1.490 -12.532 1.00 22.25 H new ATOM 0 HE1 TYR A 24 20.370 -5.142 -15.700 1.00 74.43 H new ATOM 0 HE2 TYR A 24 21.544 -1.491 -13.838 1.00 73.01 H new ATOM 0 HH TYR A 24 22.053 -3.580 -16.503 1.00 75.55 H new ATOM 348 N LYS A 25 15.919 -3.668 -15.690 1.00 61.20 N ATOM 349 CA LYS A 25 15.682 -4.612 -16.776 1.00 32.34 C ATOM 350 C LYS A 25 16.775 -4.510 -17.834 1.00 42.13 C ATOM 351 O LYS A 25 16.920 -3.480 -18.493 1.00 73.33 O ATOM 352 CB LYS A 25 14.314 -4.355 -17.413 1.00 24.22 C ATOM 353 CG LYS A 25 13.869 -5.455 -18.361 1.00 41.34 C ATOM 354 CD LYS A 25 12.670 -5.025 -19.189 1.00 53.14 C ATOM 355 CE LYS A 25 13.087 -4.155 -20.365 1.00 41.11 C ATOM 356 NZ LYS A 25 11.940 -3.851 -21.265 1.00 61.11 N ATOM 0 H LYS A 25 16.062 -2.705 -15.993 1.00 61.20 H new ATOM 0 HA LYS A 25 15.698 -5.619 -16.359 1.00 32.34 H new ATOM 0 HB2 LYS A 25 13.570 -4.244 -16.624 1.00 24.22 H new ATOM 0 HB3 LYS A 25 14.347 -3.410 -17.956 1.00 24.22 H new ATOM 0 HG2 LYS A 25 14.693 -5.722 -19.023 1.00 41.34 H new ATOM 0 HG3 LYS A 25 13.617 -6.349 -17.790 1.00 41.34 H new ATOM 0 HD2 LYS A 25 12.145 -5.907 -19.556 1.00 53.14 H new ATOM 0 HD3 LYS A 25 11.970 -4.476 -18.559 1.00 53.14 H new ATOM 0 HE2 LYS A 25 13.514 -3.223 -19.994 1.00 41.11 H new ATOM 0 HE3 LYS A 25 13.869 -4.661 -20.932 1.00 41.11 H new ATOM 0 HZ1 LYS A 25 12.266 -3.256 -22.054 1.00 61.11 H new ATOM 0 HZ2 LYS A 25 11.548 -4.738 -21.640 1.00 61.11 H new ATOM 0 HZ3 LYS A 25 11.204 -3.346 -20.731 1.00 61.11 H new ATOM 370 N SER A 26 17.541 -5.584 -17.993 1.00 25.30 N ATOM 371 CA SER A 26 18.623 -5.614 -18.970 1.00 62.14 C ATOM 372 C SER A 26 18.576 -6.898 -19.793 1.00 45.14 C ATOM 373 O SER A 26 17.962 -7.884 -19.389 1.00 71.22 O ATOM 374 CB SER A 26 19.977 -5.494 -18.268 1.00 60.10 C ATOM 375 OG SER A 26 20.240 -4.153 -17.892 1.00 74.23 O ATOM 0 H SER A 26 17.432 -6.445 -17.458 1.00 25.30 H new ATOM 0 HA SER A 26 18.495 -4.766 -19.643 1.00 62.14 H new ATOM 0 HB2 SER A 26 19.990 -6.132 -17.384 1.00 60.10 H new ATOM 0 HB3 SER A 26 20.766 -5.851 -18.930 1.00 60.10 H new ATOM 0 HG SER A 26 19.878 -3.987 -16.996 1.00 74.23 H new ATOM 381 N GLU A 27 19.231 -6.876 -20.950 1.00 51.14 N ATOM 382 CA GLU A 27 19.263 -8.038 -21.831 1.00 44.41 C ATOM 383 C GLU A 27 20.208 -9.106 -21.288 1.00 34.14 C ATOM 384 O GLU A 27 20.180 -10.256 -21.727 1.00 41.33 O ATOM 385 CB GLU A 27 19.698 -7.626 -23.239 1.00 51.12 C ATOM 386 CG GLU A 27 21.104 -7.053 -23.299 1.00 70.12 C ATOM 387 CD GLU A 27 22.163 -8.123 -23.480 1.00 73.53 C ATOM 388 OE1 GLU A 27 21.907 -9.091 -24.227 1.00 64.00 O ATOM 389 OE2 GLU A 27 23.247 -7.993 -22.875 1.00 2.33 O ATOM 0 H GLU A 27 19.746 -6.067 -21.299 1.00 51.14 H new ATOM 0 HA GLU A 27 18.257 -8.456 -21.876 1.00 44.41 H new ATOM 0 HB2 GLU A 27 19.640 -8.494 -23.896 1.00 51.12 H new ATOM 0 HB3 GLU A 27 18.997 -6.886 -23.625 1.00 51.12 H new ATOM 0 HG2 GLU A 27 21.167 -6.341 -24.122 1.00 70.12 H new ATOM 0 HG3 GLU A 27 21.306 -6.499 -22.382 1.00 70.12 H new ATOM 396 N ASP A 28 21.042 -8.718 -20.330 1.00 1.22 N ATOM 397 CA ASP A 28 21.995 -9.641 -19.725 1.00 61.31 C ATOM 398 C ASP A 28 21.514 -10.096 -18.351 1.00 2.45 C ATOM 399 O ASP A 28 21.888 -11.168 -17.875 1.00 55.55 O ATOM 400 CB ASP A 28 23.371 -8.983 -19.606 1.00 75.12 C ATOM 401 CG ASP A 28 24.503 -9.958 -19.860 1.00 60.41 C ATOM 402 OD1 ASP A 28 24.705 -10.865 -19.025 1.00 14.24 O ATOM 403 OD2 ASP A 28 25.187 -9.816 -20.895 1.00 23.02 O ATOM 0 H ASP A 28 21.078 -7.770 -19.955 1.00 1.22 H new ATOM 0 HA ASP A 28 22.075 -10.516 -20.370 1.00 61.31 H new ATOM 0 HB2 ASP A 28 23.439 -8.159 -20.316 1.00 75.12 H new ATOM 0 HB3 ASP A 28 23.481 -8.555 -18.610 1.00 75.12 H new ATOM 408 N GLU A 29 20.685 -9.272 -17.717 1.00 51.02 N ATOM 409 CA GLU A 29 20.155 -9.589 -16.396 1.00 61.22 C ATOM 410 C GLU A 29 18.895 -8.779 -16.106 1.00 42.42 C ATOM 411 O GLU A 29 18.594 -7.810 -16.803 1.00 64.11 O ATOM 412 CB GLU A 29 21.209 -9.317 -15.321 1.00 11.32 C ATOM 413 CG GLU A 29 21.442 -7.838 -15.058 1.00 63.50 C ATOM 414 CD GLU A 29 22.784 -7.567 -14.405 1.00 15.30 C ATOM 415 OE1 GLU A 29 23.210 -8.383 -13.562 1.00 12.13 O ATOM 416 OE2 GLU A 29 23.407 -6.537 -14.738 1.00 51.10 O ATOM 0 H GLU A 29 20.366 -8.381 -18.097 1.00 51.02 H new ATOM 0 HA GLU A 29 19.896 -10.648 -16.381 1.00 61.22 H new ATOM 0 HB2 GLU A 29 20.902 -9.799 -14.393 1.00 11.32 H new ATOM 0 HB3 GLU A 29 22.150 -9.777 -15.622 1.00 11.32 H new ATOM 0 HG2 GLU A 29 21.383 -7.291 -15.999 1.00 63.50 H new ATOM 0 HG3 GLU A 29 20.647 -7.457 -14.418 1.00 63.50 H new ATOM 423 N GLU A 30 18.163 -9.183 -15.073 1.00 70.20 N ATOM 424 CA GLU A 30 16.935 -8.495 -14.692 1.00 20.41 C ATOM 425 C GLU A 30 16.613 -8.733 -13.219 1.00 51.03 C ATOM 426 O GLU A 30 16.504 -9.875 -12.773 1.00 30.31 O ATOM 427 CB GLU A 30 15.769 -8.967 -15.563 1.00 13.11 C ATOM 428 CG GLU A 30 14.448 -8.295 -15.227 1.00 51.24 C ATOM 429 CD GLU A 30 13.339 -8.676 -16.188 1.00 74.14 C ATOM 430 OE1 GLU A 30 13.542 -9.614 -16.988 1.00 15.42 O ATOM 431 OE2 GLU A 30 12.267 -8.036 -16.140 1.00 60.44 O ATOM 0 H GLU A 30 18.399 -9.983 -14.485 1.00 70.20 H new ATOM 0 HA GLU A 30 17.084 -7.426 -14.845 1.00 20.41 H new ATOM 0 HB2 GLU A 30 16.008 -8.777 -16.609 1.00 13.11 H new ATOM 0 HB3 GLU A 30 15.657 -10.046 -15.452 1.00 13.11 H new ATOM 0 HG2 GLU A 30 14.154 -8.566 -14.213 1.00 51.24 H new ATOM 0 HG3 GLU A 30 14.581 -7.213 -15.242 1.00 51.24 H new ATOM 438 N TYR A 31 16.462 -7.646 -12.470 1.00 64.42 N ATOM 439 CA TYR A 31 16.156 -7.735 -11.048 1.00 30.45 C ATOM 440 C TYR A 31 15.482 -6.459 -10.555 1.00 14.34 C ATOM 441 O TYR A 31 15.537 -5.419 -11.212 1.00 75.21 O ATOM 442 CB TYR A 31 17.432 -7.994 -10.245 1.00 1.13 C ATOM 443 CG TYR A 31 18.449 -6.880 -10.348 1.00 51.34 C ATOM 444 CD1 TYR A 31 18.301 -5.708 -9.617 1.00 11.42 C ATOM 445 CD2 TYR A 31 19.557 -6.998 -11.178 1.00 72.32 C ATOM 446 CE1 TYR A 31 19.227 -4.686 -9.709 1.00 31.52 C ATOM 447 CE2 TYR A 31 20.489 -5.983 -11.275 1.00 75.13 C ATOM 448 CZ TYR A 31 20.319 -4.829 -10.539 1.00 21.21 C ATOM 449 OH TYR A 31 21.244 -3.815 -10.634 1.00 3.02 O ATOM 0 H TYR A 31 16.547 -6.693 -12.824 1.00 64.42 H new ATOM 0 HA TYR A 31 15.468 -8.568 -10.902 1.00 30.45 H new ATOM 0 HB2 TYR A 31 17.169 -8.138 -9.197 1.00 1.13 H new ATOM 0 HB3 TYR A 31 17.886 -8.923 -10.590 1.00 1.13 H new ATOM 0 HD1 TYR A 31 17.447 -5.593 -8.965 1.00 11.42 H new ATOM 0 HD2 TYR A 31 19.692 -7.899 -11.758 1.00 72.32 H new ATOM 0 HE1 TYR A 31 19.096 -3.781 -9.134 1.00 31.52 H new ATOM 0 HE2 TYR A 31 21.346 -6.092 -11.923 1.00 75.13 H new ATOM 0 HH TYR A 31 20.981 -3.198 -11.349 1.00 3.02 H new ATOM 459 N LYS A 32 14.845 -6.545 -9.391 1.00 42.14 N ATOM 460 CA LYS A 32 14.161 -5.398 -8.806 1.00 73.14 C ATOM 461 C LYS A 32 14.373 -5.350 -7.297 1.00 13.04 C ATOM 462 O LYS A 32 14.236 -6.361 -6.609 1.00 31.54 O ATOM 463 CB LYS A 32 12.664 -5.457 -9.120 1.00 40.23 C ATOM 464 CG LYS A 32 12.338 -5.194 -10.580 1.00 40.13 C ATOM 465 CD LYS A 32 12.227 -6.488 -11.369 1.00 32.13 C ATOM 466 CE LYS A 32 10.849 -7.115 -11.219 1.00 41.05 C ATOM 467 NZ LYS A 32 9.804 -6.334 -11.936 1.00 54.43 N ATOM 0 H LYS A 32 14.789 -7.398 -8.834 1.00 42.14 H new ATOM 0 HA LYS A 32 14.583 -4.493 -9.243 1.00 73.14 H new ATOM 0 HB2 LYS A 32 12.281 -6.439 -8.842 1.00 40.23 H new ATOM 0 HB3 LYS A 32 12.143 -4.726 -8.503 1.00 40.23 H new ATOM 0 HG2 LYS A 32 11.401 -4.642 -10.651 1.00 40.13 H new ATOM 0 HG3 LYS A 32 13.112 -4.565 -11.019 1.00 40.13 H new ATOM 0 HD2 LYS A 32 12.426 -6.291 -12.423 1.00 32.13 H new ATOM 0 HD3 LYS A 32 12.987 -7.191 -11.027 1.00 32.13 H new ATOM 0 HE2 LYS A 32 10.870 -8.134 -11.605 1.00 41.05 H new ATOM 0 HE3 LYS A 32 10.593 -7.180 -10.162 1.00 41.05 H new ATOM 0 HZ1 LYS A 32 8.937 -6.903 -12.014 1.00 54.43 H new ATOM 0 HZ2 LYS A 32 9.599 -5.462 -11.408 1.00 54.43 H new ATOM 0 HZ3 LYS A 32 10.145 -6.090 -12.888 1.00 54.43 H new ATOM 481 N SER A 33 14.706 -4.168 -6.788 1.00 30.23 N ATOM 482 CA SER A 33 14.939 -3.989 -5.359 1.00 71.24 C ATOM 483 C SER A 33 15.004 -2.508 -5.001 1.00 42.41 C ATOM 484 O SER A 33 15.448 -1.682 -5.800 1.00 72.43 O ATOM 485 CB SER A 33 16.236 -4.684 -4.942 1.00 22.23 C ATOM 486 OG SER A 33 15.999 -6.035 -4.585 1.00 1.01 O ATOM 0 H SER A 33 14.821 -3.320 -7.343 1.00 30.23 H new ATOM 0 HA SER A 33 14.105 -4.439 -4.820 1.00 71.24 H new ATOM 0 HB2 SER A 33 16.954 -4.642 -5.761 1.00 22.23 H new ATOM 0 HB3 SER A 33 16.681 -4.155 -4.100 1.00 22.23 H new ATOM 0 HG SER A 33 15.358 -6.431 -5.211 1.00 1.01 H new ATOM 492 N CYS A 34 14.559 -2.177 -3.794 1.00 32.34 N ATOM 493 CA CYS A 34 14.565 -0.796 -3.327 1.00 61.10 C ATOM 494 C CYS A 34 13.995 -0.696 -1.915 1.00 73.22 C ATOM 495 O CYS A 34 13.786 -1.707 -1.246 1.00 1.04 O ATOM 496 CB CYS A 34 13.758 0.089 -4.279 1.00 2.33 C ATOM 497 SG CYS A 34 14.558 1.678 -4.674 1.00 74.21 S ATOM 0 H CYS A 34 14.189 -2.848 -3.120 1.00 32.34 H new ATOM 0 HA CYS A 34 15.598 -0.450 -3.307 1.00 61.10 H new ATOM 0 HB2 CYS A 34 13.583 -0.458 -5.206 1.00 2.33 H new ATOM 0 HB3 CYS A 34 12.782 0.286 -3.836 1.00 2.33 H new ATOM 0 HG CYS A 34 15.754 1.700 -4.166 1.00 74.21 H new ATOM 502 N GLY A 35 13.744 0.531 -1.469 1.00 42.23 N ATOM 503 CA GLY A 35 13.200 0.741 -0.140 1.00 43.14 C ATOM 504 C GLY A 35 13.232 2.198 0.276 1.00 42.44 C ATOM 505 O GLY A 35 12.216 2.891 0.214 1.00 73.41 O ATOM 0 H GLY A 35 13.908 1.384 -2.004 1.00 42.23 H new ATOM 0 HA2 GLY A 35 12.172 0.380 -0.111 1.00 43.14 H new ATOM 0 HA3 GLY A 35 13.766 0.149 0.579 1.00 43.14 H new ATOM 509 N ILE A 36 14.401 2.665 0.702 1.00 61.21 N ATOM 510 CA ILE A 36 14.560 4.049 1.130 1.00 23.13 C ATOM 511 C ILE A 36 15.300 4.868 0.078 1.00 3.34 C ATOM 512 O ILE A 36 16.329 4.440 -0.444 1.00 40.42 O ATOM 513 CB ILE A 36 15.322 4.141 2.466 1.00 70.23 C ATOM 514 CG1 ILE A 36 16.433 3.090 2.517 1.00 2.35 C ATOM 515 CG2 ILE A 36 14.364 3.965 3.635 1.00 64.12 C ATOM 516 CD1 ILE A 36 17.271 3.158 3.775 1.00 41.50 C ATOM 0 H ILE A 36 15.252 2.105 0.760 1.00 61.21 H new ATOM 0 HA ILE A 36 13.557 4.455 1.264 1.00 23.13 H new ATOM 0 HB ILE A 36 15.778 5.128 2.541 1.00 70.23 H new ATOM 0 HG12 ILE A 36 15.988 2.098 2.440 1.00 2.35 H new ATOM 0 HG13 ILE A 36 17.082 3.216 1.650 1.00 2.35 H new ATOM 0 HG21 ILE A 36 14.917 4.032 4.572 1.00 64.12 H new ATOM 0 HG22 ILE A 36 13.605 4.747 3.604 1.00 64.12 H new ATOM 0 HG23 ILE A 36 13.883 2.989 3.567 1.00 64.12 H new ATOM 0 HD11 ILE A 36 18.038 2.385 3.743 1.00 41.50 H new ATOM 0 HD12 ILE A 36 17.745 4.137 3.844 1.00 41.50 H new ATOM 0 HD13 ILE A 36 16.634 3.001 4.645 1.00 41.50 H new ATOM 528 N GLN A 37 14.770 6.049 -0.225 1.00 60.42 N ATOM 529 CA GLN A 37 15.381 6.929 -1.214 1.00 65.51 C ATOM 530 C GLN A 37 16.869 7.114 -0.932 1.00 71.43 C ATOM 531 O GLN A 37 17.664 7.310 -1.851 1.00 31.42 O ATOM 532 CB GLN A 37 14.679 8.287 -1.222 1.00 51.34 C ATOM 533 CG GLN A 37 15.082 9.173 -2.390 1.00 53.31 C ATOM 534 CD GLN A 37 13.996 9.280 -3.443 1.00 2.40 C ATOM 535 OE1 GLN A 37 13.754 8.187 -4.157 1.00 33.22 O flip ATOM 536 NE2 GLN A 37 13.382 10.334 -3.613 1.00 42.54 N flip ATOM 0 H GLN A 37 13.919 6.418 0.200 1.00 60.42 H new ATOM 0 HA GLN A 37 15.270 6.465 -2.194 1.00 65.51 H new ATOM 0 HB2 GLN A 37 13.601 8.129 -1.251 1.00 51.34 H new ATOM 0 HB3 GLN A 37 14.900 8.806 -0.290 1.00 51.34 H new ATOM 0 HG2 GLN A 37 15.323 10.169 -2.019 1.00 53.31 H new ATOM 0 HG3 GLN A 37 15.988 8.775 -2.847 1.00 53.31 H new ATOM 0 HE21 GLN A 37 13.601 11.150 -3.041 1.00 42.54 H new ATOM 0 HE22 GLN A 37 12.654 10.391 -4.326 1.00 42.54 H new ATOM 545 N GLU A 38 17.237 7.050 0.344 1.00 51.55 N ATOM 546 CA GLU A 38 18.629 7.213 0.745 1.00 23.41 C ATOM 547 C GLU A 38 19.503 6.122 0.131 1.00 1.43 C ATOM 548 O GLU A 38 20.632 6.380 -0.286 1.00 32.53 O ATOM 549 CB GLU A 38 18.751 7.180 2.270 1.00 14.21 C ATOM 550 CG GLU A 38 18.417 8.505 2.935 1.00 31.14 C ATOM 551 CD GLU A 38 16.932 8.671 3.192 1.00 53.22 C ATOM 552 OE1 GLU A 38 16.182 7.692 2.996 1.00 11.10 O ATOM 553 OE2 GLU A 38 16.520 9.781 3.589 1.00 55.43 O ATOM 0 H GLU A 38 16.591 6.887 1.116 1.00 51.55 H new ATOM 0 HA GLU A 38 18.974 8.180 0.381 1.00 23.41 H new ATOM 0 HB2 GLU A 38 18.089 6.409 2.663 1.00 14.21 H new ATOM 0 HB3 GLU A 38 19.768 6.894 2.539 1.00 14.21 H new ATOM 0 HG2 GLU A 38 18.956 8.579 3.880 1.00 31.14 H new ATOM 0 HG3 GLU A 38 18.766 9.322 2.304 1.00 31.14 H new ATOM 560 N GLU A 39 18.972 4.905 0.081 1.00 72.23 N ATOM 561 CA GLU A 39 19.704 3.775 -0.481 1.00 12.54 C ATOM 562 C GLU A 39 19.520 3.706 -1.994 1.00 34.21 C ATOM 563 O GLU A 39 20.469 3.449 -2.735 1.00 73.51 O ATOM 564 CB GLU A 39 19.238 2.467 0.162 1.00 52.23 C ATOM 565 CG GLU A 39 19.739 2.275 1.583 1.00 33.12 C ATOM 566 CD GLU A 39 19.344 0.931 2.164 1.00 21.10 C ATOM 567 OE1 GLU A 39 18.373 0.329 1.661 1.00 32.30 O ATOM 568 OE2 GLU A 39 20.008 0.481 3.122 1.00 54.41 O ATOM 0 H GLU A 39 18.039 4.676 0.422 1.00 72.23 H new ATOM 0 HA GLU A 39 20.763 3.918 -0.268 1.00 12.54 H new ATOM 0 HB2 GLU A 39 18.148 2.441 0.163 1.00 52.23 H new ATOM 0 HB3 GLU A 39 19.576 1.631 -0.450 1.00 52.23 H new ATOM 0 HG2 GLU A 39 20.825 2.368 1.597 1.00 33.12 H new ATOM 0 HG3 GLU A 39 19.343 3.070 2.215 1.00 33.12 H new ATOM 575 N CYS A 40 18.291 3.936 -2.446 1.00 4.13 N ATOM 576 CA CYS A 40 17.980 3.899 -3.869 1.00 63.15 C ATOM 577 C CYS A 40 18.745 4.984 -4.622 1.00 22.00 C ATOM 578 O CYS A 40 19.151 4.790 -5.767 1.00 61.32 O ATOM 579 CB CYS A 40 16.476 4.074 -4.089 1.00 44.30 C ATOM 580 SG CYS A 40 15.619 2.554 -4.611 1.00 11.12 S ATOM 0 H CYS A 40 17.494 4.150 -1.846 1.00 4.13 H new ATOM 0 HA CYS A 40 18.286 2.927 -4.257 1.00 63.15 H new ATOM 0 HB2 CYS A 40 16.024 4.434 -3.165 1.00 44.30 H new ATOM 0 HB3 CYS A 40 16.317 4.845 -4.843 1.00 44.30 H new ATOM 0 HG CYS A 40 14.361 2.635 -4.295 1.00 11.12 H new ATOM 585 N GLU A 41 18.938 6.126 -3.969 1.00 33.21 N ATOM 586 CA GLU A 41 19.653 7.241 -4.577 1.00 3.43 C ATOM 587 C GLU A 41 21.158 6.986 -4.580 1.00 13.04 C ATOM 588 O GLU A 41 21.911 7.661 -5.281 1.00 64.35 O ATOM 589 CB GLU A 41 19.347 8.541 -3.829 1.00 70.20 C ATOM 590 CG GLU A 41 19.792 9.790 -4.572 1.00 34.35 C ATOM 591 CD GLU A 41 18.936 10.998 -4.245 1.00 53.14 C ATOM 592 OE1 GLU A 41 17.769 11.037 -4.689 1.00 22.10 O ATOM 593 OE2 GLU A 41 19.433 11.905 -3.546 1.00 3.33 O ATOM 0 H GLU A 41 18.609 6.303 -3.020 1.00 33.21 H new ATOM 0 HA GLU A 41 19.316 7.336 -5.609 1.00 3.43 H new ATOM 0 HB2 GLU A 41 18.274 8.601 -3.645 1.00 70.20 H new ATOM 0 HB3 GLU A 41 19.836 8.514 -2.855 1.00 70.20 H new ATOM 0 HG2 GLU A 41 20.831 10.007 -4.322 1.00 34.35 H new ATOM 0 HG3 GLU A 41 19.755 9.603 -5.645 1.00 34.35 H new ATOM 600 N ASP A 42 21.587 6.008 -3.790 1.00 21.01 N ATOM 601 CA ASP A 42 23.001 5.662 -3.701 1.00 1.11 C ATOM 602 C ASP A 42 23.595 5.441 -5.089 1.00 11.24 C ATOM 603 O ASP A 42 24.780 5.684 -5.313 1.00 62.10 O ATOM 604 CB ASP A 42 23.188 4.407 -2.847 1.00 3.23 C ATOM 605 CG ASP A 42 24.626 4.218 -2.403 1.00 75.01 C ATOM 606 OD1 ASP A 42 25.459 3.824 -3.245 1.00 72.42 O ATOM 607 OD2 ASP A 42 24.917 4.463 -1.214 1.00 11.44 O ATOM 0 H ASP A 42 20.976 5.441 -3.202 1.00 21.01 H new ATOM 0 HA ASP A 42 23.524 6.494 -3.230 1.00 1.11 H new ATOM 0 HB2 ASP A 42 22.545 4.469 -1.969 1.00 3.23 H new ATOM 0 HB3 ASP A 42 22.868 3.533 -3.415 1.00 3.23 H new ATOM 612 N ALA A 43 22.763 4.978 -6.016 1.00 11.32 N ATOM 613 CA ALA A 43 23.205 4.726 -7.381 1.00 62.54 C ATOM 614 C ALA A 43 23.599 6.023 -8.080 1.00 75.31 C ATOM 615 O ALA A 43 22.817 6.972 -8.131 1.00 61.32 O ATOM 616 CB ALA A 43 22.115 4.011 -8.166 1.00 33.03 C ATOM 0 H ALA A 43 21.779 4.770 -5.846 1.00 11.32 H new ATOM 0 HA ALA A 43 24.086 4.086 -7.338 1.00 62.54 H new ATOM 0 HB1 ALA A 43 22.459 3.829 -9.184 1.00 33.03 H new ATOM 0 HB2 ALA A 43 21.885 3.060 -7.686 1.00 33.03 H new ATOM 0 HB3 ALA A 43 21.219 4.631 -8.191 1.00 33.03 H new ATOM 622 N GLU A 44 24.815 6.056 -8.616 1.00 74.41 N ATOM 623 CA GLU A 44 25.311 7.238 -9.310 1.00 51.13 C ATOM 624 C GLU A 44 25.045 7.140 -10.810 1.00 13.43 C ATOM 625 O GLU A 44 25.348 6.129 -11.440 1.00 74.54 O ATOM 626 CB GLU A 44 26.810 7.414 -9.058 1.00 32.53 C ATOM 627 CG GLU A 44 27.407 8.623 -9.757 1.00 3.14 C ATOM 628 CD GLU A 44 26.784 9.928 -9.300 1.00 74.23 C ATOM 629 OE1 GLU A 44 27.098 10.376 -8.178 1.00 63.11 O ATOM 630 OE2 GLU A 44 25.981 10.501 -10.066 1.00 74.44 O ATOM 0 H GLU A 44 25.474 5.278 -8.583 1.00 74.41 H new ATOM 0 HA GLU A 44 24.780 8.106 -8.920 1.00 51.13 H new ATOM 0 HB2 GLU A 44 26.981 7.504 -7.985 1.00 32.53 H new ATOM 0 HB3 GLU A 44 27.333 6.518 -9.390 1.00 32.53 H new ATOM 0 HG2 GLU A 44 28.481 8.652 -9.571 1.00 3.14 H new ATOM 0 HG3 GLU A 44 27.273 8.518 -10.834 1.00 3.14 H new ATOM 637 N GLY A 45 24.475 8.201 -11.374 1.00 51.01 N ATOM 638 CA GLY A 45 24.176 8.215 -12.794 1.00 63.02 C ATOM 639 C GLY A 45 22.715 7.933 -13.082 1.00 61.13 C ATOM 640 O GLY A 45 22.010 8.777 -13.634 1.00 42.22 O ATOM 0 H GLY A 45 24.215 9.051 -10.873 1.00 51.01 H new ATOM 0 HA2 GLY A 45 24.444 9.187 -13.209 1.00 63.02 H new ATOM 0 HA3 GLY A 45 24.793 7.472 -13.299 1.00 63.02 H new ATOM 644 N ALA A 46 22.259 6.742 -12.709 1.00 63.42 N ATOM 645 CA ALA A 46 20.873 6.351 -12.930 1.00 74.34 C ATOM 646 C ALA A 46 19.931 7.130 -12.019 1.00 35.53 C ATOM 647 O ALA A 46 20.330 7.604 -10.954 1.00 73.44 O ATOM 648 CB ALA A 46 20.705 4.854 -12.712 1.00 13.43 C ATOM 0 H ALA A 46 22.830 6.031 -12.252 1.00 63.42 H new ATOM 0 HA ALA A 46 20.615 6.587 -13.962 1.00 74.34 H new ATOM 0 HB1 ALA A 46 19.665 4.576 -12.881 1.00 13.43 H new ATOM 0 HB2 ALA A 46 21.343 4.311 -13.409 1.00 13.43 H new ATOM 0 HB3 ALA A 46 20.987 4.601 -11.690 1.00 13.43 H new ATOM 654 N THR A 47 18.677 7.259 -12.442 1.00 41.34 N ATOM 655 CA THR A 47 17.679 7.982 -11.665 1.00 55.42 C ATOM 656 C THR A 47 16.639 7.031 -11.084 1.00 60.44 C ATOM 657 O THR A 47 16.228 6.071 -11.737 1.00 30.12 O ATOM 658 CB THR A 47 16.963 9.046 -12.520 1.00 25.12 C ATOM 659 OG1 THR A 47 16.107 9.843 -11.694 1.00 72.23 O ATOM 660 CG2 THR A 47 16.147 8.393 -13.625 1.00 21.21 C ATOM 0 H THR A 47 18.329 6.872 -13.319 1.00 41.34 H new ATOM 0 HA THR A 47 18.210 8.477 -10.852 1.00 55.42 H new ATOM 0 HB THR A 47 17.720 9.682 -12.978 1.00 25.12 H new ATOM 0 HG1 THR A 47 15.657 10.518 -12.244 1.00 72.23 H new ATOM 0 HG21 THR A 47 15.651 9.164 -14.215 1.00 21.21 H new ATOM 0 HG22 THR A 47 16.806 7.811 -14.269 1.00 21.21 H new ATOM 0 HG23 THR A 47 15.398 7.735 -13.184 1.00 21.21 H new ATOM 668 N VAL A 48 16.216 7.303 -9.854 1.00 25.43 N ATOM 669 CA VAL A 48 15.223 6.471 -9.185 1.00 53.13 C ATOM 670 C VAL A 48 13.851 7.136 -9.199 1.00 11.13 C ATOM 671 O VAL A 48 13.670 8.223 -8.647 1.00 70.52 O ATOM 672 CB VAL A 48 15.625 6.178 -7.728 1.00 12.13 C ATOM 673 CG1 VAL A 48 14.558 5.342 -7.037 1.00 10.41 C ATOM 674 CG2 VAL A 48 16.976 5.480 -7.678 1.00 75.01 C ATOM 0 H VAL A 48 16.546 8.094 -9.300 1.00 25.43 H new ATOM 0 HA VAL A 48 15.174 5.531 -9.735 1.00 53.13 H new ATOM 0 HB VAL A 48 15.711 7.125 -7.196 1.00 12.13 H new ATOM 0 HG11 VAL A 48 14.860 5.145 -6.008 1.00 10.41 H new ATOM 0 HG12 VAL A 48 13.612 5.884 -7.040 1.00 10.41 H new ATOM 0 HG13 VAL A 48 14.436 4.397 -7.567 1.00 10.41 H new ATOM 0 HG21 VAL A 48 17.244 5.281 -6.641 1.00 75.01 H new ATOM 0 HG22 VAL A 48 16.920 4.539 -8.226 1.00 75.01 H new ATOM 0 HG23 VAL A 48 17.733 6.119 -8.132 1.00 75.01 H new ATOM 684 N LEU A 49 12.887 6.477 -9.832 1.00 15.25 N ATOM 685 CA LEU A 49 11.529 7.004 -9.917 1.00 33.13 C ATOM 686 C LEU A 49 10.511 5.963 -9.461 1.00 3.14 C ATOM 687 O LEU A 49 10.569 4.803 -9.868 1.00 61.51 O ATOM 688 CB LEU A 49 11.220 7.442 -11.349 1.00 53.43 C ATOM 689 CG LEU A 49 10.212 8.583 -11.500 1.00 22.24 C ATOM 690 CD1 LEU A 49 10.926 9.925 -11.525 1.00 52.53 C ATOM 691 CD2 LEU A 49 9.379 8.395 -12.759 1.00 13.51 C ATOM 0 H LEU A 49 13.020 5.577 -10.294 1.00 15.25 H new ATOM 0 HA LEU A 49 11.459 7.868 -9.256 1.00 33.13 H new ATOM 0 HB2 LEU A 49 12.153 7.743 -11.825 1.00 53.43 H new ATOM 0 HB3 LEU A 49 10.846 6.578 -11.899 1.00 53.43 H new ATOM 0 HG LEU A 49 9.542 8.568 -10.640 1.00 22.24 H new ATOM 0 HD11 LEU A 49 10.193 10.725 -11.633 1.00 52.53 H new ATOM 0 HD12 LEU A 49 11.477 10.061 -10.595 1.00 52.53 H new ATOM 0 HD13 LEU A 49 11.620 9.952 -12.365 1.00 52.53 H new ATOM 0 HD21 LEU A 49 8.667 9.216 -12.850 1.00 13.51 H new ATOM 0 HD22 LEU A 49 10.034 8.384 -13.630 1.00 13.51 H new ATOM 0 HD23 LEU A 49 8.838 7.451 -12.700 1.00 13.51 H new ATOM 703 N CYS A 50 9.578 6.386 -8.614 1.00 44.43 N ATOM 704 CA CYS A 50 8.546 5.493 -8.104 1.00 22.54 C ATOM 705 C CYS A 50 7.155 6.053 -8.382 1.00 55.22 C ATOM 706 O CYS A 50 6.957 7.268 -8.412 1.00 1.32 O ATOM 707 CB CYS A 50 8.729 5.275 -6.600 1.00 73.12 C ATOM 708 SG CYS A 50 8.005 3.722 -5.980 1.00 41.24 S ATOM 0 H CYS A 50 9.516 7.343 -8.267 1.00 44.43 H new ATOM 0 HA CYS A 50 8.642 4.537 -8.618 1.00 22.54 H new ATOM 0 HB2 CYS A 50 9.794 5.284 -6.369 1.00 73.12 H new ATOM 0 HB3 CYS A 50 8.280 6.112 -6.065 1.00 73.12 H new ATOM 713 N CYS A 51 6.193 5.159 -8.586 1.00 14.43 N ATOM 714 CA CYS A 51 4.819 5.563 -8.862 1.00 62.11 C ATOM 715 C CYS A 51 3.958 5.459 -7.606 1.00 65.13 C ATOM 716 O CYS A 51 4.204 4.639 -6.721 1.00 70.14 O ATOM 717 CB CYS A 51 4.225 4.696 -9.974 1.00 51.42 C ATOM 718 SG CYS A 51 5.417 4.231 -11.271 1.00 34.51 S ATOM 0 H CYS A 51 6.340 4.150 -8.565 1.00 14.43 H new ATOM 0 HA CYS A 51 4.831 6.603 -9.188 1.00 62.11 H new ATOM 0 HB2 CYS A 51 3.813 3.789 -9.532 1.00 51.42 H new ATOM 0 HB3 CYS A 51 3.395 5.232 -10.434 1.00 51.42 H new ATOM 723 N PRO A 52 2.925 6.310 -7.526 1.00 34.44 N ATOM 724 CA PRO A 52 2.006 6.333 -6.384 1.00 31.14 C ATOM 725 C PRO A 52 1.118 5.095 -6.329 1.00 31.54 C ATOM 726 O PRO A 52 0.414 4.868 -5.345 1.00 50.21 O ATOM 727 CB PRO A 52 1.162 7.585 -6.633 1.00 10.43 C ATOM 728 CG PRO A 52 1.215 7.791 -8.107 1.00 73.43 C ATOM 729 CD PRO A 52 2.573 7.314 -8.543 1.00 75.14 C ATOM 0 HA PRO A 52 2.539 6.343 -5.433 1.00 31.14 H new ATOM 0 HB2 PRO A 52 0.137 7.446 -6.289 1.00 10.43 H new ATOM 0 HB3 PRO A 52 1.564 8.446 -6.098 1.00 10.43 H new ATOM 0 HG2 PRO A 52 0.425 7.231 -8.608 1.00 73.43 H new ATOM 0 HG3 PRO A 52 1.071 8.841 -8.360 1.00 73.43 H new ATOM 0 HD2 PRO A 52 2.545 6.880 -9.543 1.00 75.14 H new ATOM 0 HD3 PRO A 52 3.296 8.129 -8.570 1.00 75.14 H new ATOM 737 N GLU A 53 1.157 4.296 -7.391 1.00 12.31 N ATOM 738 CA GLU A 53 0.354 3.081 -7.462 1.00 64.21 C ATOM 739 C GLU A 53 1.122 1.888 -6.899 1.00 42.21 C ATOM 740 O GLU A 53 2.253 2.028 -6.434 1.00 3.34 O ATOM 741 CB GLU A 53 -0.058 2.799 -8.909 1.00 3.15 C ATOM 742 CG GLU A 53 -1.220 3.652 -9.387 1.00 54.22 C ATOM 743 CD GLU A 53 -0.969 4.271 -10.749 1.00 24.34 C ATOM 744 OE1 GLU A 53 -0.219 5.267 -10.817 1.00 50.41 O ATOM 745 OE2 GLU A 53 -1.521 3.759 -11.745 1.00 24.12 O ATOM 0 H GLU A 53 1.736 4.468 -8.213 1.00 12.31 H new ATOM 0 HA GLU A 53 -0.542 3.232 -6.860 1.00 64.21 H new ATOM 0 HB2 GLU A 53 0.799 2.968 -9.561 1.00 3.15 H new ATOM 0 HB3 GLU A 53 -0.327 1.747 -9.003 1.00 3.15 H new ATOM 0 HG2 GLU A 53 -2.121 3.040 -9.431 1.00 54.22 H new ATOM 0 HG3 GLU A 53 -1.407 4.444 -8.661 1.00 54.22 H new ATOM 752 N ASP A 54 0.499 0.716 -6.945 1.00 11.12 N ATOM 753 CA ASP A 54 1.122 -0.502 -6.440 1.00 45.22 C ATOM 754 C ASP A 54 1.768 -1.292 -7.574 1.00 41.22 C ATOM 755 O ASP A 54 1.256 -1.323 -8.694 1.00 14.11 O ATOM 756 CB ASP A 54 0.088 -1.370 -5.722 1.00 3.34 C ATOM 757 CG ASP A 54 -1.213 -1.477 -6.492 1.00 13.44 C ATOM 758 OD1 ASP A 54 -1.170 -1.851 -7.682 1.00 64.33 O ATOM 759 OD2 ASP A 54 -2.276 -1.186 -5.903 1.00 64.33 O ATOM 0 H ASP A 54 -0.437 0.583 -7.327 1.00 11.12 H new ATOM 0 HA ASP A 54 1.899 -0.216 -5.731 1.00 45.22 H new ATOM 0 HB2 ASP A 54 0.499 -2.368 -5.569 1.00 3.34 H new ATOM 0 HB3 ASP A 54 -0.111 -0.952 -4.735 1.00 3.34 H new ATOM 764 N LEU A 55 2.896 -1.928 -7.278 1.00 32.24 N ATOM 765 CA LEU A 55 3.613 -2.718 -8.273 1.00 30.14 C ATOM 766 C LEU A 55 4.003 -1.860 -9.472 1.00 14.33 C ATOM 767 O LEU A 55 3.541 -2.090 -10.590 1.00 13.42 O ATOM 768 CB LEU A 55 2.754 -3.897 -8.733 1.00 34.04 C ATOM 769 CG LEU A 55 2.347 -4.895 -7.648 1.00 13.33 C ATOM 770 CD1 LEU A 55 1.629 -6.087 -8.261 1.00 21.11 C ATOM 771 CD2 LEU A 55 3.565 -5.351 -6.859 1.00 23.32 C ATOM 0 H LEU A 55 3.334 -1.912 -6.357 1.00 32.24 H new ATOM 0 HA LEU A 55 4.524 -3.099 -7.811 1.00 30.14 H new ATOM 0 HB2 LEU A 55 1.848 -3.503 -9.194 1.00 34.04 H new ATOM 0 HB3 LEU A 55 3.298 -4.436 -9.509 1.00 34.04 H new ATOM 0 HG LEU A 55 1.661 -4.398 -6.963 1.00 13.33 H new ATOM 0 HD11 LEU A 55 1.347 -6.786 -7.474 1.00 21.11 H new ATOM 0 HD12 LEU A 55 0.734 -5.745 -8.780 1.00 21.11 H new ATOM 0 HD13 LEU A 55 2.291 -6.586 -8.969 1.00 21.11 H new ATOM 0 HD21 LEU A 55 3.256 -6.061 -6.091 1.00 23.32 H new ATOM 0 HD22 LEU A 55 4.276 -5.831 -7.532 1.00 23.32 H new ATOM 0 HD23 LEU A 55 4.037 -4.489 -6.387 1.00 23.32 H new ATOM 783 N CYS A 56 4.857 -0.871 -9.232 1.00 0.40 N ATOM 784 CA CYS A 56 5.311 0.022 -10.292 1.00 23.25 C ATOM 785 C CYS A 56 6.698 -0.382 -10.785 1.00 53.53 C ATOM 786 O CYS A 56 7.107 -0.013 -11.885 1.00 62.44 O ATOM 787 CB CYS A 56 5.336 1.468 -9.793 1.00 42.11 C ATOM 788 SG CYS A 56 5.905 2.673 -11.035 1.00 65.12 S ATOM 0 H CYS A 56 5.249 -0.667 -8.313 1.00 0.40 H new ATOM 0 HA CYS A 56 4.611 -0.056 -11.124 1.00 23.25 H new ATOM 0 HB2 CYS A 56 4.334 1.745 -9.465 1.00 42.11 H new ATOM 0 HB3 CYS A 56 5.985 1.529 -8.919 1.00 42.11 H new ATOM 793 N ASN A 57 7.415 -1.141 -9.963 1.00 52.33 N ATOM 794 CA ASN A 57 8.755 -1.594 -10.316 1.00 23.22 C ATOM 795 C ASN A 57 8.774 -3.100 -10.560 1.00 34.24 C ATOM 796 O ASN A 57 8.961 -3.554 -11.688 1.00 53.33 O ATOM 797 CB ASN A 57 9.746 -1.234 -9.207 1.00 43.42 C ATOM 798 CG ASN A 57 9.572 -2.097 -7.972 1.00 54.45 C ATOM 799 OD1 ASN A 57 8.490 -2.150 -7.386 1.00 42.55 O ATOM 800 ND2 ASN A 57 10.639 -2.778 -7.571 1.00 55.13 N ATOM 0 H ASN A 57 7.091 -1.455 -9.048 1.00 52.33 H new ATOM 0 HA ASN A 57 9.051 -1.091 -11.237 1.00 23.22 H new ATOM 0 HB2 ASN A 57 10.763 -1.344 -9.583 1.00 43.42 H new ATOM 0 HB3 ASN A 57 9.618 -0.186 -8.935 1.00 43.42 H new ATOM 0 HD21 ASN A 57 10.582 -3.376 -6.746 1.00 55.13 H new ATOM 0 HD22 ASN A 57 11.515 -2.704 -8.088 1.00 55.13 H new