USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 438 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 15 SER OG : rot -105:sc= 0.776 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -117:sc= -0.883 (180deg=-4.38!) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= -0.0441 USER MOD Set 2.2: A 35 ASN : amide:sc= -5.15! C(o=-5.2!,f=-7!) USER MOD Set 3.1: A 9 THR OG1 : rot 180:sc= 0.00366 USER MOD Set 3.2: A 11 GLN : amide:sc= 0.234 K(o=0.24,f=-2!) USER MOD Single : A 1 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.036) USER MOD Single : A 1 ASN N :NH3+ 153:sc= -0.099 (180deg=-0.536) USER MOD Single : A 8 GLN : amide:sc= -7.33! C(o=-7.3!,f=-9!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -109:sc= -0.468 (180deg=-4.46!) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 23 THR OG1 : rot -15:sc= 0.565 USER MOD Single : A 25 ASN : amide:sc= -0.701 K(o=-0.7,f=-0.05) USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -2.38 (180deg=-3.44!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 42 SER OG : rot 56:sc= 0.996 USER MOD Single : A 44 THR OG1 : rot -21:sc= -0.836 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc=-0.000882 USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= -0.123 (180deg=-0.191) USER MOD Single : A 51 SER OG : rot -129:sc= 0.415 USER MOD Single : A 52 SER OG : rot 180:sc= -0.0781 USER MOD Single : A 56 HIS : no HE2:sc= -0.726 X(o=-0.73,f=-0.55) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0209 (180deg=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 31.582 19.579 -12.516 1.00 0.00 N ATOM 2 CA ASN A 1 32.226 20.229 -11.339 1.00 0.00 C ATOM 3 C ASN A 1 33.449 19.416 -10.884 1.00 0.00 C ATOM 4 O ASN A 1 33.670 18.312 -11.342 1.00 0.00 O ATOM 5 CB ASN A 1 31.212 20.328 -10.176 1.00 0.00 C ATOM 6 CG ASN A 1 30.737 18.926 -9.768 1.00 0.00 C ATOM 7 OD1 ASN A 1 31.210 18.350 -8.808 1.00 0.00 O ATOM 8 ND2 ASN A 1 29.806 18.344 -10.474 1.00 0.00 N ATOM 0 H1 ASN A 1 30.571 19.824 -12.538 1.00 0.00 H new ATOM 0 H2 ASN A 1 32.038 19.912 -13.389 1.00 0.00 H new ATOM 0 H3 ASN A 1 31.687 18.547 -12.443 1.00 0.00 H new ATOM 0 HA ASN A 1 32.551 21.229 -11.626 1.00 0.00 H new ATOM 0 HB2 ASN A 1 31.673 20.827 -9.323 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.359 20.936 -10.478 1.00 0.00 H new ATOM 0 HD21 ASN A 1 29.480 17.412 -10.219 1.00 0.00 H new ATOM 0 HD22 ASN A 1 29.404 18.821 -11.281 1.00 0.00 H new ATOM 17 N PHE A 2 34.203 20.001 -9.988 1.00 0.00 N ATOM 18 CA PHE A 2 35.427 19.339 -9.448 1.00 0.00 C ATOM 19 C PHE A 2 35.794 20.015 -8.120 1.00 0.00 C ATOM 20 O PHE A 2 36.078 21.197 -8.081 1.00 0.00 O ATOM 21 CB PHE A 2 36.578 19.490 -10.468 1.00 0.00 C ATOM 22 CG PHE A 2 37.833 18.797 -9.913 1.00 0.00 C ATOM 23 CD1 PHE A 2 37.998 17.431 -10.051 1.00 0.00 C ATOM 24 CD2 PHE A 2 38.807 19.531 -9.263 1.00 0.00 C ATOM 25 CE1 PHE A 2 39.120 16.808 -9.546 1.00 0.00 C ATOM 26 CE2 PHE A 2 39.928 18.909 -8.759 1.00 0.00 C ATOM 27 CZ PHE A 2 40.086 17.547 -8.900 1.00 0.00 C ATOM 0 H PHE A 2 34.017 20.927 -9.602 1.00 0.00 H new ATOM 0 HA PHE A 2 35.250 18.277 -9.279 1.00 0.00 H new ATOM 0 HB2 PHE A 2 36.295 19.048 -11.423 1.00 0.00 H new ATOM 0 HB3 PHE A 2 36.781 20.545 -10.653 1.00 0.00 H new ATOM 0 HD1 PHE A 2 37.243 16.848 -10.558 1.00 0.00 H new ATOM 0 HD2 PHE A 2 38.689 20.598 -9.150 1.00 0.00 H new ATOM 0 HE1 PHE A 2 39.241 15.741 -9.657 1.00 0.00 H new ATOM 0 HE2 PHE A 2 40.685 19.490 -8.252 1.00 0.00 H new ATOM 0 HZ PHE A 2 40.965 17.060 -8.505 1.00 0.00 H new ATOM 37 N VAL A 3 35.771 19.227 -7.075 1.00 0.00 N ATOM 38 CA VAL A 3 36.102 19.729 -5.704 1.00 0.00 C ATOM 39 C VAL A 3 37.092 18.771 -5.034 1.00 0.00 C ATOM 40 O VAL A 3 37.034 17.567 -5.194 1.00 0.00 O ATOM 41 CB VAL A 3 34.782 19.829 -4.881 1.00 0.00 C ATOM 42 CG1 VAL A 3 35.061 20.390 -3.467 1.00 0.00 C ATOM 43 CG2 VAL A 3 33.781 20.766 -5.597 1.00 0.00 C ATOM 0 H VAL A 3 35.532 18.236 -7.114 1.00 0.00 H new ATOM 0 HA VAL A 3 36.565 20.714 -5.758 1.00 0.00 H new ATOM 0 HB VAL A 3 34.361 18.827 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 3 34.127 20.452 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.753 19.730 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 3 35.500 21.384 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 3 32.862 20.830 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 3 34.218 21.760 -5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 3 33.556 20.370 -6.587 1.00 0.00 H new ATOM 53 N CYS A 4 37.974 19.388 -4.296 1.00 0.00 N ATOM 54 CA CYS A 4 39.045 18.675 -3.540 1.00 0.00 C ATOM 55 C CYS A 4 38.487 18.078 -2.230 1.00 0.00 C ATOM 56 O CYS A 4 37.311 18.198 -1.947 1.00 0.00 O ATOM 57 CB CYS A 4 40.121 19.676 -3.214 1.00 0.00 C ATOM 58 SG CYS A 4 41.050 20.528 -4.508 1.00 0.00 S ATOM 0 H CYS A 4 37.996 20.401 -4.182 1.00 0.00 H new ATOM 0 HA CYS A 4 39.439 17.857 -4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 4 39.659 20.447 -2.598 1.00 0.00 H new ATOM 0 HB3 CYS A 4 40.851 19.162 -2.588 1.00 0.00 H new ATOM 63 N PRO A 5 39.348 17.447 -1.464 1.00 0.00 N ATOM 64 CA PRO A 5 39.207 17.366 -0.007 1.00 0.00 C ATOM 65 C PRO A 5 39.918 18.524 0.718 1.00 0.00 C ATOM 66 O PRO A 5 40.619 19.300 0.093 1.00 0.00 O ATOM 67 CB PRO A 5 39.902 16.033 0.351 1.00 0.00 C ATOM 68 CG PRO A 5 40.502 15.524 -0.936 1.00 0.00 C ATOM 69 CD PRO A 5 40.556 16.714 -1.863 1.00 0.00 C ATOM 0 HA PRO A 5 38.161 17.424 0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.671 16.184 1.108 1.00 0.00 H new ATOM 0 HB3 PRO A 5 39.189 15.317 0.760 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.498 15.114 -0.768 1.00 0.00 H new ATOM 0 HG3 PRO A 5 39.895 14.724 -1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 5 41.461 17.305 -1.721 1.00 0.00 H new ATOM 0 HD3 PRO A 5 40.530 16.419 -2.912 1.00 0.00 H new ATOM 77 N PRO A 6 39.718 18.596 2.013 1.00 0.00 N ATOM 78 CA PRO A 6 40.392 19.574 2.890 1.00 0.00 C ATOM 79 C PRO A 6 41.911 19.562 2.704 1.00 0.00 C ATOM 80 O PRO A 6 42.475 18.508 2.493 1.00 0.00 O ATOM 81 CB PRO A 6 40.036 19.069 4.307 1.00 0.00 C ATOM 82 CG PRO A 6 39.551 17.672 4.087 1.00 0.00 C ATOM 83 CD PRO A 6 38.819 17.741 2.810 1.00 0.00 C ATOM 0 HA PRO A 6 40.078 20.597 2.684 1.00 0.00 H new ATOM 0 HB2 PRO A 6 40.903 19.090 4.967 1.00 0.00 H new ATOM 0 HB3 PRO A 6 39.268 19.689 4.770 1.00 0.00 H new ATOM 0 HG2 PRO A 6 40.380 16.966 4.033 1.00 0.00 H new ATOM 0 HG3 PRO A 6 38.904 17.342 4.900 1.00 0.00 H new ATOM 0 HD2 PRO A 6 38.681 16.758 2.361 1.00 0.00 H new ATOM 0 HD3 PRO A 6 37.828 18.181 2.926 1.00 0.00 H new ATOM 91 N GLY A 7 42.502 20.725 2.788 1.00 0.00 N ATOM 92 CA GLY A 7 43.983 20.843 2.628 1.00 0.00 C ATOM 93 C GLY A 7 44.470 20.863 1.171 1.00 0.00 C ATOM 94 O GLY A 7 45.605 21.228 0.935 1.00 0.00 O ATOM 0 H GLY A 7 42.018 21.606 2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 7 44.317 21.756 3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 7 44.459 20.009 3.145 1.00 0.00 H new ATOM 98 N GLN A 8 43.632 20.472 0.238 1.00 0.00 N ATOM 99 CA GLN A 8 44.058 20.473 -1.202 1.00 0.00 C ATOM 100 C GLN A 8 43.215 21.462 -2.033 1.00 0.00 C ATOM 101 O GLN A 8 42.044 21.656 -1.772 1.00 0.00 O ATOM 102 CB GLN A 8 43.900 19.053 -1.818 1.00 0.00 C ATOM 103 CG GLN A 8 44.745 17.930 -1.152 1.00 0.00 C ATOM 104 CD GLN A 8 44.332 17.608 0.295 1.00 0.00 C ATOM 105 OE1 GLN A 8 44.841 18.156 1.249 1.00 0.00 O ATOM 106 NE2 GLN A 8 43.410 16.712 0.514 1.00 0.00 N ATOM 0 H GLN A 8 42.678 20.154 0.408 1.00 0.00 H new ATOM 0 HA GLN A 8 45.104 20.779 -1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 8 42.849 18.770 -1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 8 44.165 19.104 -2.874 1.00 0.00 H new ATOM 0 HG2 GLN A 8 44.663 17.024 -1.752 1.00 0.00 H new ATOM 0 HG3 GLN A 8 45.794 18.225 -1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 8 42.965 16.236 -0.271 1.00 0.00 H new ATOM 0 HE22 GLN A 8 43.134 16.488 1.470 1.00 0.00 H new ATOM 115 N THR A 9 43.865 22.051 -3.010 1.00 0.00 N ATOM 116 CA THR A 9 43.232 23.050 -3.942 1.00 0.00 C ATOM 117 C THR A 9 43.356 22.651 -5.423 1.00 0.00 C ATOM 118 O THR A 9 44.225 21.888 -5.793 1.00 0.00 O ATOM 119 CB THR A 9 43.905 24.427 -3.771 1.00 0.00 C ATOM 120 OG1 THR A 9 45.284 24.206 -4.048 1.00 0.00 O ATOM 121 CG2 THR A 9 43.869 24.899 -2.326 1.00 0.00 C ATOM 0 H THR A 9 44.850 21.874 -3.209 1.00 0.00 H new ATOM 0 HA THR A 9 42.175 23.084 -3.680 1.00 0.00 H new ATOM 0 HB THR A 9 43.403 25.155 -4.408 1.00 0.00 H new ATOM 0 HG1 THR A 9 45.775 25.049 -3.958 1.00 0.00 H new ATOM 0 HG21 THR A 9 44.353 25.872 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 9 42.833 24.982 -1.996 1.00 0.00 H new ATOM 0 HG23 THR A 9 44.394 24.182 -1.696 1.00 0.00 H new ATOM 129 N PHE A 10 42.471 23.198 -6.220 1.00 0.00 N ATOM 130 CA PHE A 10 42.462 22.918 -7.692 1.00 0.00 C ATOM 131 C PHE A 10 43.708 23.567 -8.316 1.00 0.00 C ATOM 132 O PHE A 10 44.086 24.659 -7.938 1.00 0.00 O ATOM 133 CB PHE A 10 41.170 23.503 -8.277 1.00 0.00 C ATOM 134 CG PHE A 10 41.134 23.369 -9.806 1.00 0.00 C ATOM 135 CD1 PHE A 10 41.029 22.133 -10.417 1.00 0.00 C ATOM 136 CD2 PHE A 10 41.199 24.506 -10.591 1.00 0.00 C ATOM 137 CE1 PHE A 10 40.988 22.037 -11.791 1.00 0.00 C ATOM 138 CE2 PHE A 10 41.158 24.411 -11.963 1.00 0.00 C ATOM 139 CZ PHE A 10 41.052 23.178 -12.564 1.00 0.00 C ATOM 0 H PHE A 10 41.741 23.838 -5.908 1.00 0.00 H new ATOM 0 HA PHE A 10 42.490 21.849 -7.903 1.00 0.00 H new ATOM 0 HB2 PHE A 10 40.310 22.991 -7.845 1.00 0.00 H new ATOM 0 HB3 PHE A 10 41.087 24.554 -8.001 1.00 0.00 H new ATOM 0 HD1 PHE A 10 40.979 21.238 -9.814 1.00 0.00 H new ATOM 0 HD2 PHE A 10 41.283 25.476 -10.123 1.00 0.00 H new ATOM 0 HE1 PHE A 10 40.906 21.069 -12.263 1.00 0.00 H new ATOM 0 HE2 PHE A 10 41.209 25.304 -12.568 1.00 0.00 H new ATOM 0 HZ PHE A 10 41.019 23.103 -13.641 1.00 0.00 H new ATOM 149 N GLN A 11 44.300 22.873 -9.255 1.00 0.00 N ATOM 150 CA GLN A 11 45.524 23.364 -9.951 1.00 0.00 C ATOM 151 C GLN A 11 45.440 22.852 -11.373 1.00 0.00 C ATOM 152 O GLN A 11 45.039 21.729 -11.615 1.00 0.00 O ATOM 153 CB GLN A 11 46.788 22.804 -9.227 1.00 0.00 C ATOM 154 CG GLN A 11 46.819 23.342 -7.774 1.00 0.00 C ATOM 155 CD GLN A 11 47.994 22.825 -6.942 1.00 0.00 C ATOM 156 OE1 GLN A 11 48.893 22.149 -7.402 1.00 0.00 O ATOM 157 NE2 GLN A 11 47.990 23.149 -5.678 1.00 0.00 N ATOM 0 H GLN A 11 43.975 21.961 -9.575 1.00 0.00 H new ATOM 0 HA GLN A 11 45.594 24.452 -9.942 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.768 21.714 -9.224 1.00 0.00 H new ATOM 0 HB3 GLN A 11 47.691 23.105 -9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 11 46.859 24.431 -7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 11 45.888 23.070 -7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 11 47.232 23.717 -5.299 1.00 0.00 H new ATOM 0 HE22 GLN A 11 48.745 22.835 -5.069 1.00 0.00 H new ATOM 166 N THR A 12 45.834 23.716 -12.266 1.00 0.00 N ATOM 167 CA THR A 12 45.813 23.380 -13.712 1.00 0.00 C ATOM 168 C THR A 12 47.030 22.512 -14.039 1.00 0.00 C ATOM 169 O THR A 12 46.951 21.655 -14.900 1.00 0.00 O ATOM 170 CB THR A 12 45.835 24.698 -14.492 1.00 0.00 C ATOM 171 OG1 THR A 12 44.674 25.391 -14.050 1.00 0.00 O ATOM 172 CG2 THR A 12 45.566 24.457 -15.972 1.00 0.00 C ATOM 0 H THR A 12 46.174 24.653 -12.050 1.00 0.00 H new ATOM 0 HA THR A 12 44.920 22.817 -13.984 1.00 0.00 H new ATOM 0 HB THR A 12 46.791 25.202 -14.348 1.00 0.00 H new ATOM 0 HG1 THR A 12 44.616 26.256 -14.507 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.587 25.408 -16.505 1.00 0.00 H new ATOM 0 HG22 THR A 12 46.332 23.796 -16.378 1.00 0.00 H new ATOM 0 HG23 THR A 12 44.587 23.994 -16.093 1.00 0.00 H new ATOM 180 N CYS A 13 48.111 22.763 -13.339 1.00 0.00 N ATOM 181 CA CYS A 13 49.356 21.977 -13.571 1.00 0.00 C ATOM 182 C CYS A 13 49.759 21.195 -12.321 1.00 0.00 C ATOM 183 O CYS A 13 50.496 21.695 -11.490 1.00 0.00 O ATOM 184 CB CYS A 13 50.518 22.906 -13.955 1.00 0.00 C ATOM 185 SG CYS A 13 52.047 21.996 -14.288 1.00 0.00 S ATOM 0 H CYS A 13 48.181 23.480 -12.617 1.00 0.00 H new ATOM 0 HA CYS A 13 49.149 21.280 -14.383 1.00 0.00 H new ATOM 0 HB2 CYS A 13 50.242 23.483 -14.838 1.00 0.00 H new ATOM 0 HB3 CYS A 13 50.691 23.619 -13.149 1.00 0.00 H new ATOM 190 N ALA A 14 49.265 19.986 -12.213 1.00 0.00 N ATOM 191 CA ALA A 14 49.619 19.165 -11.018 1.00 0.00 C ATOM 192 C ALA A 14 49.389 17.661 -11.190 1.00 0.00 C ATOM 193 O ALA A 14 48.309 17.152 -10.970 1.00 0.00 O ATOM 194 CB ALA A 14 48.800 19.716 -9.838 1.00 0.00 C ATOM 0 H ALA A 14 48.644 19.540 -12.888 1.00 0.00 H new ATOM 0 HA ALA A 14 50.692 19.251 -10.848 1.00 0.00 H new ATOM 0 HB1 ALA A 14 49.027 19.144 -8.939 1.00 0.00 H new ATOM 0 HB2 ALA A 14 49.055 20.763 -9.676 1.00 0.00 H new ATOM 0 HB3 ALA A 14 47.737 19.632 -10.062 1.00 0.00 H new ATOM 200 N SER A 15 50.461 17.019 -11.575 1.00 0.00 N ATOM 201 CA SER A 15 50.513 15.544 -11.821 1.00 0.00 C ATOM 202 C SER A 15 49.917 14.676 -10.697 1.00 0.00 C ATOM 203 O SER A 15 49.748 15.118 -9.577 1.00 0.00 O ATOM 204 CB SER A 15 51.968 15.170 -12.024 1.00 0.00 C ATOM 205 OG SER A 15 51.961 13.794 -12.380 1.00 0.00 O ATOM 0 H SER A 15 51.353 17.486 -11.738 1.00 0.00 H new ATOM 0 HA SER A 15 49.894 15.342 -12.695 1.00 0.00 H new ATOM 0 HB2 SER A 15 52.423 15.776 -12.808 1.00 0.00 H new ATOM 0 HB3 SER A 15 52.547 15.337 -11.115 1.00 0.00 H new ATOM 0 HG SER A 15 52.269 13.258 -11.620 1.00 0.00 H new ATOM 211 N SER A 16 49.626 13.449 -11.058 1.00 0.00 N ATOM 212 CA SER A 16 49.043 12.456 -10.101 1.00 0.00 C ATOM 213 C SER A 16 50.152 11.792 -9.257 1.00 0.00 C ATOM 214 O SER A 16 50.002 10.674 -8.800 1.00 0.00 O ATOM 215 CB SER A 16 48.271 11.392 -10.913 1.00 0.00 C ATOM 216 OG SER A 16 47.251 12.114 -11.589 1.00 0.00 O ATOM 0 H SER A 16 49.772 13.086 -12.000 1.00 0.00 H new ATOM 0 HA SER A 16 48.366 12.963 -9.413 1.00 0.00 H new ATOM 0 HB2 SER A 16 48.927 10.881 -11.618 1.00 0.00 H new ATOM 0 HB3 SER A 16 47.848 10.628 -10.261 1.00 0.00 H new ATOM 0 HG SER A 16 46.717 11.496 -12.131 1.00 0.00 H new ATOM 222 N CYS A 17 51.235 12.512 -9.085 1.00 0.00 N ATOM 223 CA CYS A 17 52.409 12.028 -8.291 1.00 0.00 C ATOM 224 C CYS A 17 52.596 12.855 -7.000 1.00 0.00 C ATOM 225 O CYS A 17 53.545 13.601 -6.863 1.00 0.00 O ATOM 226 CB CYS A 17 53.636 12.102 -9.230 1.00 0.00 C ATOM 227 SG CYS A 17 53.918 13.588 -10.228 1.00 0.00 S ATOM 0 H CYS A 17 51.357 13.446 -9.476 1.00 0.00 H new ATOM 0 HA CYS A 17 52.262 11.003 -7.950 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.524 11.949 -8.617 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.572 11.257 -9.916 1.00 0.00 H new ATOM 232 N PRO A 18 51.675 12.684 -6.075 1.00 0.00 N ATOM 233 CA PRO A 18 51.435 13.660 -4.993 1.00 0.00 C ATOM 234 C PRO A 18 52.608 13.815 -4.028 1.00 0.00 C ATOM 235 O PRO A 18 53.355 12.877 -3.823 1.00 0.00 O ATOM 236 CB PRO A 18 50.234 13.069 -4.234 1.00 0.00 C ATOM 237 CG PRO A 18 50.310 11.617 -4.513 1.00 0.00 C ATOM 238 CD PRO A 18 50.752 11.536 -5.938 1.00 0.00 C ATOM 0 HA PRO A 18 51.276 14.656 -5.407 1.00 0.00 H new ATOM 0 HB2 PRO A 18 50.298 13.273 -3.165 1.00 0.00 H new ATOM 0 HB3 PRO A 18 49.293 13.494 -4.584 1.00 0.00 H new ATOM 0 HG2 PRO A 18 51.018 11.121 -3.849 1.00 0.00 H new ATOM 0 HG3 PRO A 18 49.344 11.133 -4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 18 51.252 10.591 -6.151 1.00 0.00 H new ATOM 0 HD3 PRO A 18 49.910 11.613 -6.625 1.00 0.00 H new ATOM 246 N LYS A 19 52.714 14.999 -3.478 1.00 0.00 N ATOM 247 CA LYS A 19 53.810 15.279 -2.513 1.00 0.00 C ATOM 248 C LYS A 19 53.229 15.032 -1.127 1.00 0.00 C ATOM 249 O LYS A 19 52.047 15.195 -0.896 1.00 0.00 O ATOM 250 CB LYS A 19 54.299 16.748 -2.614 1.00 0.00 C ATOM 251 CG LYS A 19 53.165 17.742 -2.354 1.00 0.00 C ATOM 252 CD LYS A 19 53.741 19.167 -2.366 1.00 0.00 C ATOM 253 CE LYS A 19 52.579 20.144 -2.245 1.00 0.00 C ATOM 254 NZ LYS A 19 53.063 21.554 -2.262 1.00 0.00 N ATOM 0 H LYS A 19 52.086 15.782 -3.659 1.00 0.00 H new ATOM 0 HA LYS A 19 54.669 14.641 -2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 19 55.101 16.915 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.718 16.925 -3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 19 52.393 17.641 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 19 52.694 17.534 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS A 19 54.441 19.302 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 19 54.296 19.346 -3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 19 51.879 19.986 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 19 52.034 19.954 -1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 52.957 21.969 -1.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 54.065 21.574 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 52.505 22.104 -2.945 1.00 0.00 H new ATOM 268 N THR A 20 54.106 14.643 -0.253 1.00 0.00 N ATOM 269 CA THR A 20 53.733 14.343 1.161 1.00 0.00 C ATOM 270 C THR A 20 54.885 14.768 2.075 1.00 0.00 C ATOM 271 O THR A 20 55.866 15.312 1.603 1.00 0.00 O ATOM 272 CB THR A 20 53.482 12.825 1.302 1.00 0.00 C ATOM 273 OG1 THR A 20 54.725 12.208 0.995 1.00 0.00 O ATOM 274 CG2 THR A 20 52.544 12.282 0.197 1.00 0.00 C ATOM 0 H THR A 20 55.096 14.515 -0.461 1.00 0.00 H new ATOM 0 HA THR A 20 52.829 14.885 1.439 1.00 0.00 H new ATOM 0 HB THR A 20 53.065 12.634 2.291 1.00 0.00 H new ATOM 0 HG1 THR A 20 54.634 11.235 1.068 1.00 0.00 H new ATOM 0 HG21 THR A 20 52.397 11.211 0.338 1.00 0.00 H new ATOM 0 HG22 THR A 20 51.582 12.791 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 20 52.991 12.461 -0.781 1.00 0.00 H new ATOM 282 N CYS A 21 54.736 14.516 3.355 1.00 0.00 N ATOM 283 CA CYS A 21 55.826 14.894 4.308 1.00 0.00 C ATOM 284 C CYS A 21 57.126 14.199 3.883 1.00 0.00 C ATOM 285 O CYS A 21 58.208 14.634 4.224 1.00 0.00 O ATOM 286 CB CYS A 21 55.454 14.462 5.726 1.00 0.00 C ATOM 287 SG CYS A 21 54.084 15.298 6.564 1.00 0.00 S ATOM 0 H CYS A 21 53.919 14.072 3.775 1.00 0.00 H new ATOM 0 HA CYS A 21 55.962 15.975 4.293 1.00 0.00 H new ATOM 0 HB2 CYS A 21 55.222 13.397 5.696 1.00 0.00 H new ATOM 0 HB3 CYS A 21 56.341 14.577 6.349 1.00 0.00 H new ATOM 292 N GLU A 22 56.962 13.129 3.145 1.00 0.00 N ATOM 293 CA GLU A 22 58.139 12.355 2.648 1.00 0.00 C ATOM 294 C GLU A 22 58.955 13.266 1.704 1.00 0.00 C ATOM 295 O GLU A 22 60.160 13.361 1.826 1.00 0.00 O ATOM 296 CB GLU A 22 57.632 11.119 1.888 1.00 0.00 C ATOM 297 CG GLU A 22 58.819 10.269 1.389 1.00 0.00 C ATOM 298 CD GLU A 22 58.272 9.071 0.596 1.00 0.00 C ATOM 299 OE1 GLU A 22 57.982 8.073 1.236 1.00 0.00 O ATOM 300 OE2 GLU A 22 58.174 9.224 -0.611 1.00 0.00 O ATOM 0 H GLU A 22 56.055 12.756 2.864 1.00 0.00 H new ATOM 0 HA GLU A 22 58.770 12.030 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 22 56.996 10.520 2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 22 57.019 11.431 1.042 1.00 0.00 H new ATOM 0 HG2 GLU A 22 59.475 10.870 0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 22 59.416 9.922 2.233 1.00 0.00 H new ATOM 307 N THR A 23 58.257 13.906 0.795 1.00 0.00 N ATOM 308 CA THR A 23 58.917 14.822 -0.188 1.00 0.00 C ATOM 309 C THR A 23 59.194 16.234 0.341 1.00 0.00 C ATOM 310 O THR A 23 60.335 16.521 0.643 1.00 0.00 O ATOM 311 CB THR A 23 58.037 14.915 -1.464 1.00 0.00 C ATOM 312 OG1 THR A 23 56.754 15.347 -1.046 1.00 0.00 O ATOM 313 CG2 THR A 23 57.780 13.541 -2.086 1.00 0.00 C ATOM 0 H THR A 23 57.245 13.831 0.692 1.00 0.00 H new ATOM 0 HA THR A 23 59.893 14.386 -0.400 1.00 0.00 H new ATOM 0 HB THR A 23 58.544 15.568 -2.174 1.00 0.00 H new ATOM 0 HG1 THR A 23 56.673 15.239 -0.075 1.00 0.00 H new ATOM 0 HG21 THR A 23 57.161 13.654 -2.976 1.00 0.00 H new ATOM 0 HG22 THR A 23 58.730 13.083 -2.361 1.00 0.00 H new ATOM 0 HG23 THR A 23 57.266 12.905 -1.365 1.00 0.00 H new ATOM 321 N ARG A 24 58.175 17.067 0.440 1.00 0.00 N ATOM 322 CA ARG A 24 58.322 18.485 0.937 1.00 0.00 C ATOM 323 C ARG A 24 59.161 19.383 0.023 1.00 0.00 C ATOM 324 O ARG A 24 59.240 20.584 0.197 1.00 0.00 O ATOM 325 CB ARG A 24 58.961 18.478 2.327 1.00 0.00 C ATOM 326 CG ARG A 24 57.992 17.796 3.305 1.00 0.00 C ATOM 327 CD ARG A 24 58.600 17.675 4.714 1.00 0.00 C ATOM 328 NE ARG A 24 59.798 16.787 4.638 1.00 0.00 N ATOM 329 CZ ARG A 24 60.622 16.660 5.647 1.00 0.00 C ATOM 330 NH1 ARG A 24 60.419 17.317 6.759 1.00 0.00 N ATOM 331 NH2 ARG A 24 61.643 15.862 5.504 1.00 0.00 N ATOM 0 H ARG A 24 57.219 16.815 0.189 1.00 0.00 H new ATOM 0 HA ARG A 24 57.314 18.900 0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 24 59.912 17.947 2.304 1.00 0.00 H new ATOM 0 HB3 ARG A 24 59.173 19.497 2.652 1.00 0.00 H new ATOM 0 HG2 ARG A 24 57.065 18.366 3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 24 57.736 16.804 2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 24 58.881 18.658 5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 24 57.867 17.264 5.409 1.00 0.00 H new ATOM 0 HE ARG A 24 59.979 16.267 3.779 1.00 0.00 H new ATOM 0 HH11 ARG A 24 59.613 17.935 6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 24 61.067 17.211 7.540 1.00 0.00 H new ATOM 0 HH21 ARG A 24 61.779 15.361 4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 24 62.305 15.739 6.270 1.00 0.00 H new ATOM 345 N ASN A 25 59.754 18.731 -0.928 1.00 0.00 N ATOM 346 CA ASN A 25 60.626 19.371 -1.938 1.00 0.00 C ATOM 347 C ASN A 25 59.883 20.301 -2.925 1.00 0.00 C ATOM 348 O ASN A 25 60.424 21.321 -3.304 1.00 0.00 O ATOM 349 CB ASN A 25 61.340 18.227 -2.680 1.00 0.00 C ATOM 350 CG ASN A 25 62.110 17.316 -1.707 1.00 0.00 C ATOM 351 OD1 ASN A 25 62.328 16.152 -1.980 1.00 0.00 O ATOM 352 ND2 ASN A 25 62.539 17.789 -0.568 1.00 0.00 N ATOM 0 H ASN A 25 59.662 17.723 -1.050 1.00 0.00 H new ATOM 0 HA ASN A 25 61.327 20.035 -1.432 1.00 0.00 H new ATOM 0 HB2 ASN A 25 60.608 17.636 -3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 25 62.030 18.643 -3.414 1.00 0.00 H new ATOM 0 HD21 ASN A 25 63.048 17.184 0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 25 62.365 18.764 -0.323 1.00 0.00 H new ATOM 359 N LYS A 26 58.680 19.938 -3.312 1.00 0.00 N ATOM 360 CA LYS A 26 57.878 20.760 -4.261 1.00 0.00 C ATOM 361 C LYS A 26 56.797 21.532 -3.508 1.00 0.00 C ATOM 362 O LYS A 26 56.229 21.071 -2.536 1.00 0.00 O ATOM 363 CB LYS A 26 57.167 19.877 -5.333 1.00 0.00 C ATOM 364 CG LYS A 26 58.136 19.156 -6.315 1.00 0.00 C ATOM 365 CD LYS A 26 59.057 18.096 -5.664 1.00 0.00 C ATOM 366 CE LYS A 26 58.223 16.976 -5.009 1.00 0.00 C ATOM 367 NZ LYS A 26 59.129 15.926 -4.465 1.00 0.00 N ATOM 0 H LYS A 26 58.216 19.086 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 26 58.573 21.440 -4.753 1.00 0.00 H new ATOM 0 HB2 LYS A 26 56.560 19.128 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 26 56.485 20.503 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 26 57.547 18.674 -7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 26 58.758 19.906 -6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 26 59.719 17.670 -6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 26 59.691 18.569 -4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 26 57.607 17.388 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 26 57.544 16.540 -5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 58.602 15.037 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 59.922 15.778 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 59.497 16.230 -3.541 1.00 0.00 H new ATOM 381 N LEU A 27 56.574 22.706 -4.026 1.00 0.00 N ATOM 382 CA LEU A 27 55.554 23.659 -3.471 1.00 0.00 C ATOM 383 C LEU A 27 54.274 23.622 -4.322 1.00 0.00 C ATOM 384 O LEU A 27 53.565 24.591 -4.511 1.00 0.00 O ATOM 385 CB LEU A 27 56.155 25.078 -3.465 1.00 0.00 C ATOM 386 CG LEU A 27 57.452 25.142 -2.604 1.00 0.00 C ATOM 387 CD1 LEU A 27 58.021 26.575 -2.668 1.00 0.00 C ATOM 388 CD2 LEU A 27 57.155 24.796 -1.125 1.00 0.00 C ATOM 0 H LEU A 27 57.072 23.063 -4.841 1.00 0.00 H new ATOM 0 HA LEU A 27 55.292 23.369 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 27 56.379 25.384 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.422 25.784 -3.074 1.00 0.00 H new ATOM 0 HG LEU A 27 58.166 24.419 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 27 58.930 26.633 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 27 58.252 26.829 -3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 27 57.284 27.277 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 27 58.078 24.848 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.434 25.507 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 27 56.744 23.788 -1.062 1.00 0.00 H new ATOM 400 N VAL A 28 54.068 22.429 -4.790 1.00 0.00 N ATOM 401 CA VAL A 28 52.922 22.009 -5.656 1.00 0.00 C ATOM 402 C VAL A 28 52.826 20.509 -5.536 1.00 0.00 C ATOM 403 O VAL A 28 53.823 19.852 -5.308 1.00 0.00 O ATOM 404 CB VAL A 28 53.123 22.316 -7.164 1.00 0.00 C ATOM 405 CG1 VAL A 28 53.078 23.836 -7.427 1.00 0.00 C ATOM 406 CG2 VAL A 28 54.517 21.814 -7.635 1.00 0.00 C ATOM 0 H VAL A 28 54.705 21.658 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 28 52.040 22.557 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 28 52.322 21.812 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 28 53.221 24.026 -8.491 1.00 0.00 H new ATOM 0 HG12 VAL A 28 52.111 24.231 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 28 53.870 24.327 -6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 28 54.645 22.036 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 28 55.297 22.316 -7.063 1.00 0.00 H new ATOM 0 HG23 VAL A 28 54.588 20.738 -7.479 1.00 0.00 H new ATOM 416 N LEU A 29 51.625 20.027 -5.705 1.00 0.00 N ATOM 417 CA LEU A 29 51.349 18.566 -5.616 1.00 0.00 C ATOM 418 C LEU A 29 52.496 17.706 -6.151 1.00 0.00 C ATOM 419 O LEU A 29 52.910 16.730 -5.557 1.00 0.00 O ATOM 420 CB LEU A 29 50.071 18.300 -6.392 1.00 0.00 C ATOM 421 CG LEU A 29 49.661 16.806 -6.295 1.00 0.00 C ATOM 422 CD1 LEU A 29 49.367 16.446 -4.814 1.00 0.00 C ATOM 423 CD2 LEU A 29 48.416 16.540 -7.147 1.00 0.00 C ATOM 0 H LEU A 29 50.805 20.599 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 29 51.243 18.288 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 29 49.268 18.927 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 29 50.212 18.575 -7.437 1.00 0.00 H new ATOM 0 HG LEU A 29 50.479 16.189 -6.667 1.00 0.00 H new ATOM 0 HD11 LEU A 29 49.079 15.397 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.260 16.617 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 29 48.555 17.071 -4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 29 48.140 15.488 -7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.592 17.159 -6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 29 48.629 16.783 -8.188 1.00 0.00 H new ATOM 435 N CYS A 30 52.950 18.148 -7.285 1.00 0.00 N ATOM 436 CA CYS A 30 54.073 17.488 -8.013 1.00 0.00 C ATOM 437 C CYS A 30 54.460 18.436 -9.164 1.00 0.00 C ATOM 438 O CYS A 30 53.804 19.444 -9.352 1.00 0.00 O ATOM 439 CB CYS A 30 53.591 16.138 -8.542 1.00 0.00 C ATOM 440 SG CYS A 30 54.872 15.024 -9.177 1.00 0.00 S ATOM 0 H CYS A 30 52.577 18.971 -7.758 1.00 0.00 H new ATOM 0 HA CYS A 30 54.936 17.304 -7.373 1.00 0.00 H new ATOM 0 HB2 CYS A 30 53.059 15.626 -7.740 1.00 0.00 H new ATOM 0 HB3 CYS A 30 52.870 16.320 -9.339 1.00 0.00 H new ATOM 445 N ASP A 31 55.491 18.112 -9.908 1.00 0.00 N ATOM 446 CA ASP A 31 55.903 19.020 -11.032 1.00 0.00 C ATOM 447 C ASP A 31 56.229 18.343 -12.371 1.00 0.00 C ATOM 448 O ASP A 31 56.245 19.015 -13.386 1.00 0.00 O ATOM 449 CB ASP A 31 57.117 19.821 -10.523 1.00 0.00 C ATOM 450 CG ASP A 31 57.587 20.841 -11.577 1.00 0.00 C ATOM 451 OD1 ASP A 31 56.930 21.866 -11.668 1.00 0.00 O ATOM 452 OD2 ASP A 31 58.572 20.537 -12.231 1.00 0.00 O ATOM 0 H ASP A 31 56.059 17.273 -9.791 1.00 0.00 H new ATOM 0 HA ASP A 31 55.043 19.643 -11.277 1.00 0.00 H new ATOM 0 HB2 ASP A 31 56.854 20.340 -9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 31 57.933 19.139 -10.283 1.00 0.00 H new ATOM 457 N LYS A 32 56.477 17.059 -12.362 1.00 0.00 N ATOM 458 CA LYS A 32 56.804 16.365 -13.653 1.00 0.00 C ATOM 459 C LYS A 32 55.679 16.381 -14.710 1.00 0.00 C ATOM 460 O LYS A 32 55.889 15.939 -15.824 1.00 0.00 O ATOM 461 CB LYS A 32 57.245 14.900 -13.302 1.00 0.00 C ATOM 462 CG LYS A 32 56.213 14.047 -12.513 1.00 0.00 C ATOM 463 CD LYS A 32 54.918 13.719 -13.289 1.00 0.00 C ATOM 464 CE LYS A 32 55.211 12.921 -14.574 1.00 0.00 C ATOM 465 NZ LYS A 32 53.930 12.597 -15.264 1.00 0.00 N ATOM 0 H LYS A 32 56.469 16.465 -11.533 1.00 0.00 H new ATOM 0 HA LYS A 32 57.608 16.922 -14.134 1.00 0.00 H new ATOM 0 HB2 LYS A 32 57.481 14.381 -14.231 1.00 0.00 H new ATOM 0 HB3 LYS A 32 58.166 14.949 -12.721 1.00 0.00 H new ATOM 0 HG2 LYS A 32 56.688 13.112 -12.214 1.00 0.00 H new ATOM 0 HG3 LYS A 32 55.948 14.577 -11.598 1.00 0.00 H new ATOM 0 HD2 LYS A 32 54.246 13.146 -12.650 1.00 0.00 H new ATOM 0 HD3 LYS A 32 54.403 14.645 -13.545 1.00 0.00 H new ATOM 0 HE2 LYS A 32 55.855 13.500 -15.235 1.00 0.00 H new ATOM 0 HE3 LYS A 32 55.747 12.004 -14.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 53.803 11.565 -15.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 53.138 13.028 -14.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 53.954 12.971 -16.234 1.00 0.00 H new ATOM 479 N LYS A 33 54.526 16.887 -14.340 1.00 0.00 N ATOM 480 CA LYS A 33 53.365 16.962 -15.287 1.00 0.00 C ATOM 481 C LYS A 33 52.266 17.899 -14.791 1.00 0.00 C ATOM 482 O LYS A 33 52.079 18.105 -13.607 1.00 0.00 O ATOM 483 CB LYS A 33 52.790 15.530 -15.515 1.00 0.00 C ATOM 484 CG LYS A 33 51.551 15.615 -16.418 1.00 0.00 C ATOM 485 CD LYS A 33 51.061 14.194 -16.766 1.00 0.00 C ATOM 486 CE LYS A 33 49.890 14.278 -17.762 1.00 0.00 C ATOM 487 NZ LYS A 33 49.399 12.907 -18.075 1.00 0.00 N ATOM 0 H LYS A 33 54.337 17.257 -13.408 1.00 0.00 H new ATOM 0 HA LYS A 33 53.730 17.374 -16.228 1.00 0.00 H new ATOM 0 HB2 LYS A 33 53.545 14.892 -15.974 1.00 0.00 H new ATOM 0 HB3 LYS A 33 52.527 15.076 -14.560 1.00 0.00 H new ATOM 0 HG2 LYS A 33 50.759 16.170 -15.914 1.00 0.00 H new ATOM 0 HG3 LYS A 33 51.791 16.161 -17.330 1.00 0.00 H new ATOM 0 HD2 LYS A 33 51.876 13.613 -17.197 1.00 0.00 H new ATOM 0 HD3 LYS A 33 50.744 13.676 -15.861 1.00 0.00 H new ATOM 0 HE2 LYS A 33 49.083 14.876 -17.340 1.00 0.00 H new ATOM 0 HE3 LYS A 33 50.212 14.777 -18.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 48.608 12.967 -18.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 50.170 12.350 -18.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 49.076 12.446 -17.201 1.00 0.00 H new ATOM 501 N CYS A 34 51.578 18.434 -15.770 1.00 0.00 N ATOM 502 CA CYS A 34 50.460 19.381 -15.524 1.00 0.00 C ATOM 503 C CYS A 34 49.028 18.844 -15.677 1.00 0.00 C ATOM 504 O CYS A 34 48.384 19.017 -16.695 1.00 0.00 O ATOM 505 CB CYS A 34 50.605 20.570 -16.458 1.00 0.00 C ATOM 506 SG CYS A 34 51.984 21.729 -16.287 1.00 0.00 S ATOM 0 H CYS A 34 51.755 18.244 -16.756 1.00 0.00 H new ATOM 0 HA CYS A 34 50.561 19.626 -14.467 1.00 0.00 H new ATOM 0 HB2 CYS A 34 50.644 20.175 -17.473 1.00 0.00 H new ATOM 0 HB3 CYS A 34 49.687 21.152 -16.378 1.00 0.00 H new ATOM 511 N ASN A 35 48.579 18.198 -14.640 1.00 0.00 N ATOM 512 CA ASN A 35 47.182 17.634 -14.653 1.00 0.00 C ATOM 513 C ASN A 35 46.251 18.697 -14.045 1.00 0.00 C ATOM 514 O ASN A 35 46.571 19.298 -13.036 1.00 0.00 O ATOM 515 CB ASN A 35 47.018 16.374 -13.780 1.00 0.00 C ATOM 516 CG ASN A 35 47.955 15.235 -14.173 1.00 0.00 C ATOM 517 OD1 ASN A 35 48.725 15.322 -15.105 1.00 0.00 O ATOM 518 ND2 ASN A 35 47.916 14.137 -13.471 1.00 0.00 N ATOM 0 H ASN A 35 49.107 18.031 -13.784 1.00 0.00 H new ATOM 0 HA ASN A 35 46.953 17.370 -15.685 1.00 0.00 H new ATOM 0 HB2 ASN A 35 47.197 16.638 -12.738 1.00 0.00 H new ATOM 0 HB3 ASN A 35 45.987 16.026 -13.848 1.00 0.00 H new ATOM 0 HD21 ASN A 35 48.531 13.358 -13.708 1.00 0.00 H new ATOM 0 HD22 ASN A 35 47.271 14.057 -12.685 1.00 0.00 H new ATOM 525 N GLN A 36 45.125 18.891 -14.682 1.00 0.00 N ATOM 526 CA GLN A 36 44.120 19.892 -14.206 1.00 0.00 C ATOM 527 C GLN A 36 43.135 19.160 -13.282 1.00 0.00 C ATOM 528 O GLN A 36 42.021 18.829 -13.640 1.00 0.00 O ATOM 529 CB GLN A 36 43.448 20.480 -15.470 1.00 0.00 C ATOM 530 CG GLN A 36 42.420 21.551 -15.086 1.00 0.00 C ATOM 531 CD GLN A 36 41.798 22.143 -16.356 1.00 0.00 C ATOM 532 OE1 GLN A 36 41.093 21.478 -17.089 1.00 0.00 O ATOM 533 NE2 GLN A 36 42.035 23.392 -16.652 1.00 0.00 N ATOM 0 H GLN A 36 44.854 18.389 -15.528 1.00 0.00 H new ATOM 0 HA GLN A 36 44.553 20.713 -13.634 1.00 0.00 H new ATOM 0 HB2 GLN A 36 44.206 20.913 -16.123 1.00 0.00 H new ATOM 0 HB3 GLN A 36 42.959 19.684 -16.032 1.00 0.00 H new ATOM 0 HG2 GLN A 36 41.643 21.116 -14.457 1.00 0.00 H new ATOM 0 HG3 GLN A 36 42.899 22.337 -14.503 1.00 0.00 H new ATOM 0 HE21 GLN A 36 42.626 23.957 -16.042 1.00 0.00 H new ATOM 0 HE22 GLN A 36 41.630 23.803 -17.493 1.00 0.00 H new ATOM 542 N ARG A 37 43.632 18.938 -12.094 1.00 0.00 N ATOM 543 CA ARG A 37 42.871 18.240 -11.011 1.00 0.00 C ATOM 544 C ARG A 37 43.179 19.006 -9.723 1.00 0.00 C ATOM 545 O ARG A 37 43.448 20.189 -9.781 1.00 0.00 O ATOM 546 CB ARG A 37 43.367 16.786 -10.909 1.00 0.00 C ATOM 547 CG ARG A 37 43.189 16.022 -12.239 1.00 0.00 C ATOM 548 CD ARG A 37 43.742 14.586 -12.083 1.00 0.00 C ATOM 549 NE ARG A 37 45.205 14.670 -11.763 1.00 0.00 N ATOM 550 CZ ARG A 37 45.673 14.632 -10.540 1.00 0.00 C ATOM 551 NH1 ARG A 37 44.877 14.507 -9.511 1.00 0.00 N ATOM 552 NH2 ARG A 37 46.962 14.729 -10.388 1.00 0.00 N ATOM 0 H ARG A 37 44.572 19.223 -11.818 1.00 0.00 H new ATOM 0 HA ARG A 37 41.798 18.216 -11.203 1.00 0.00 H new ATOM 0 HB2 ARG A 37 44.419 16.781 -10.625 1.00 0.00 H new ATOM 0 HB3 ARG A 37 42.821 16.271 -10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 37 42.135 15.990 -12.515 1.00 0.00 H new ATOM 0 HG3 ARG A 37 43.713 16.540 -13.042 1.00 0.00 H new ATOM 0 HD2 ARG A 37 43.211 14.060 -11.290 1.00 0.00 H new ATOM 0 HD3 ARG A 37 43.587 14.019 -13.001 1.00 0.00 H new ATOM 0 HE ARG A 37 45.867 14.761 -12.534 1.00 0.00 H new ATOM 0 HH11 ARG A 37 43.869 14.437 -9.651 1.00 0.00 H new ATOM 0 HH12 ARG A 37 45.264 14.480 -8.568 1.00 0.00 H new ATOM 0 HH21 ARG A 37 47.566 14.830 -11.204 1.00 0.00 H new ATOM 0 HH22 ARG A 37 47.369 14.704 -9.453 1.00 0.00 H new ATOM 566 N CYS A 38 43.134 18.331 -8.603 1.00 0.00 N ATOM 567 CA CYS A 38 43.427 19.017 -7.310 1.00 0.00 C ATOM 568 C CYS A 38 44.902 18.791 -6.934 1.00 0.00 C ATOM 569 O CYS A 38 45.618 18.105 -7.639 1.00 0.00 O ATOM 570 CB CYS A 38 42.525 18.456 -6.199 1.00 0.00 C ATOM 571 SG CYS A 38 42.699 19.376 -4.654 1.00 0.00 S ATOM 0 H CYS A 38 42.908 17.339 -8.528 1.00 0.00 H new ATOM 0 HA CYS A 38 43.234 20.084 -7.421 1.00 0.00 H new ATOM 0 HB2 CYS A 38 41.485 18.489 -6.525 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.772 17.408 -6.027 1.00 0.00 H new ATOM 576 N GLY A 39 45.306 19.378 -5.835 1.00 0.00 N ATOM 577 CA GLY A 39 46.709 19.248 -5.345 1.00 0.00 C ATOM 578 C GLY A 39 46.919 20.137 -4.116 1.00 0.00 C ATOM 579 O GLY A 39 46.374 21.221 -4.067 1.00 0.00 O ATOM 0 H GLY A 39 44.706 19.955 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 39 46.920 18.209 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 39 47.406 19.532 -6.133 1.00 0.00 H new ATOM 583 N CYS A 40 47.697 19.656 -3.170 1.00 0.00 N ATOM 584 CA CYS A 40 47.992 20.412 -1.910 1.00 0.00 C ATOM 585 C CYS A 40 48.243 21.904 -2.061 1.00 0.00 C ATOM 586 O CYS A 40 48.536 22.398 -3.131 1.00 0.00 O ATOM 587 CB CYS A 40 49.219 19.825 -1.217 1.00 0.00 C ATOM 588 SG CYS A 40 49.103 18.166 -0.519 1.00 0.00 S ATOM 0 H CYS A 40 48.151 18.744 -3.223 1.00 0.00 H new ATOM 0 HA CYS A 40 47.074 20.302 -1.332 1.00 0.00 H new ATOM 0 HB2 CYS A 40 50.038 19.825 -1.937 1.00 0.00 H new ATOM 0 HB3 CYS A 40 49.502 20.504 -0.412 1.00 0.00 H new ATOM 593 N ILE A 41 48.125 22.571 -0.944 1.00 0.00 N ATOM 594 CA ILE A 41 48.340 24.047 -0.931 1.00 0.00 C ATOM 595 C ILE A 41 49.814 24.263 -1.319 1.00 0.00 C ATOM 596 O ILE A 41 50.646 23.398 -1.112 1.00 0.00 O ATOM 597 CB ILE A 41 48.140 24.658 0.478 1.00 0.00 C ATOM 598 CG1 ILE A 41 46.937 24.056 1.267 1.00 0.00 C ATOM 599 CG2 ILE A 41 47.900 26.174 0.303 1.00 0.00 C ATOM 600 CD1 ILE A 41 45.616 24.150 0.503 1.00 0.00 C ATOM 0 H ILE A 41 47.889 22.158 -0.041 1.00 0.00 H new ATOM 0 HA ILE A 41 47.628 24.520 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 41 49.035 24.433 1.058 1.00 0.00 H new ATOM 0 HG12 ILE A 41 47.145 23.011 1.495 1.00 0.00 H new ATOM 0 HG13 ILE A 41 46.837 24.576 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 41 47.755 26.635 1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 41 48.763 26.625 -0.186 1.00 0.00 H new ATOM 0 HG23 ILE A 41 47.012 26.334 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 41 44.817 23.715 1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 41 45.388 25.196 0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 41 45.700 23.606 -0.438 1.00 0.00 H new ATOM 612 N SER A 42 50.079 25.417 -1.867 1.00 0.00 N ATOM 613 CA SER A 42 51.471 25.754 -2.287 1.00 0.00 C ATOM 614 C SER A 42 52.230 26.167 -1.021 1.00 0.00 C ATOM 615 O SER A 42 52.280 27.323 -0.647 1.00 0.00 O ATOM 616 CB SER A 42 51.408 26.905 -3.315 1.00 0.00 C ATOM 617 OG SER A 42 52.765 27.150 -3.658 1.00 0.00 O ATOM 0 H SER A 42 49.388 26.146 -2.043 1.00 0.00 H new ATOM 0 HA SER A 42 51.981 24.913 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 42 50.822 26.624 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 42 50.940 27.792 -2.889 1.00 0.00 H new ATOM 0 HG SER A 42 53.176 26.320 -3.978 1.00 0.00 H new ATOM 623 N GLY A 43 52.796 25.161 -0.410 1.00 0.00 N ATOM 624 CA GLY A 43 53.581 25.337 0.846 1.00 0.00 C ATOM 625 C GLY A 43 53.363 24.112 1.741 1.00 0.00 C ATOM 626 O GLY A 43 54.133 23.875 2.650 1.00 0.00 O ATOM 0 H GLY A 43 52.745 24.197 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 43 54.640 25.452 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 43 53.267 26.243 1.364 1.00 0.00 H new ATOM 630 N THR A 44 52.316 23.375 1.452 1.00 0.00 N ATOM 631 CA THR A 44 51.990 22.149 2.249 1.00 0.00 C ATOM 632 C THR A 44 52.426 20.881 1.507 1.00 0.00 C ATOM 633 O THR A 44 53.112 20.943 0.507 1.00 0.00 O ATOM 634 CB THR A 44 50.453 22.099 2.525 1.00 0.00 C ATOM 635 OG1 THR A 44 49.792 22.129 1.266 1.00 0.00 O ATOM 636 CG2 THR A 44 49.975 23.336 3.270 1.00 0.00 C ATOM 0 H THR A 44 51.667 23.573 0.690 1.00 0.00 H new ATOM 0 HA THR A 44 52.532 22.195 3.194 1.00 0.00 H new ATOM 0 HB THR A 44 50.242 21.207 3.114 1.00 0.00 H new ATOM 0 HG1 THR A 44 50.393 22.506 0.590 1.00 0.00 H new ATOM 0 HG21 THR A 44 48.901 23.264 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 44 50.493 23.408 4.226 1.00 0.00 H new ATOM 0 HG23 THR A 44 50.188 24.224 2.675 1.00 0.00 H new ATOM 644 N VAL A 45 52.000 19.775 2.055 1.00 0.00 N ATOM 645 CA VAL A 45 52.283 18.410 1.527 1.00 0.00 C ATOM 646 C VAL A 45 51.209 17.473 2.066 1.00 0.00 C ATOM 647 O VAL A 45 50.878 17.548 3.232 1.00 0.00 O ATOM 648 CB VAL A 45 53.668 17.863 1.994 1.00 0.00 C ATOM 649 CG1 VAL A 45 54.822 18.579 1.328 1.00 0.00 C ATOM 650 CG2 VAL A 45 53.892 18.028 3.517 1.00 0.00 C ATOM 0 H VAL A 45 51.431 19.766 2.902 1.00 0.00 H new ATOM 0 HA VAL A 45 52.291 18.464 0.438 1.00 0.00 H new ATOM 0 HB VAL A 45 53.645 16.809 1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 45 55.764 18.163 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 45 54.755 18.450 0.248 1.00 0.00 H new ATOM 0 HG13 VAL A 45 54.780 19.641 1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 45 54.871 17.631 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 45 53.845 19.085 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 45 53.118 17.485 4.060 1.00 0.00 H new ATOM 660 N LEU A 46 50.699 16.623 1.210 1.00 0.00 N ATOM 661 CA LEU A 46 49.636 15.653 1.624 1.00 0.00 C ATOM 662 C LEU A 46 50.242 14.783 2.739 1.00 0.00 C ATOM 663 O LEU A 46 50.967 13.854 2.451 1.00 0.00 O ATOM 664 CB LEU A 46 49.244 14.809 0.383 1.00 0.00 C ATOM 665 CG LEU A 46 48.059 13.853 0.672 1.00 0.00 C ATOM 666 CD1 LEU A 46 46.783 14.674 0.984 1.00 0.00 C ATOM 667 CD2 LEU A 46 47.815 12.957 -0.561 1.00 0.00 C ATOM 0 H LEU A 46 50.976 16.558 0.231 1.00 0.00 H new ATOM 0 HA LEU A 46 48.736 16.142 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 46 48.978 15.475 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 46 50.106 14.227 0.055 1.00 0.00 H new ATOM 0 HG LEU A 46 48.298 13.230 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 46 45.954 13.996 1.186 1.00 0.00 H new ATOM 0 HD12 LEU A 46 46.959 15.302 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 46 46.537 15.303 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 46 46.982 12.283 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 46 47.579 13.581 -1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 46 48.712 12.374 -0.770 1.00 0.00 H new ATOM 679 N LYS A 47 49.910 15.143 3.958 1.00 0.00 N ATOM 680 CA LYS A 47 50.374 14.461 5.216 1.00 0.00 C ATOM 681 C LYS A 47 51.179 13.163 5.028 1.00 0.00 C ATOM 682 O LYS A 47 52.313 13.078 5.457 1.00 0.00 O ATOM 683 CB LYS A 47 49.109 14.213 6.070 1.00 0.00 C ATOM 684 CG LYS A 47 49.455 13.512 7.398 1.00 0.00 C ATOM 685 CD LYS A 47 48.162 13.301 8.208 1.00 0.00 C ATOM 686 CE LYS A 47 48.499 12.597 9.532 1.00 0.00 C ATOM 687 NZ LYS A 47 47.254 12.387 10.322 1.00 0.00 N ATOM 0 H LYS A 47 49.295 15.935 4.142 1.00 0.00 H new ATOM 0 HA LYS A 47 51.095 15.119 5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 47 48.615 15.163 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 47 48.403 13.602 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 47 49.937 12.554 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 47 50.162 14.115 7.968 1.00 0.00 H new ATOM 0 HD2 LYS A 47 47.682 14.260 8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 47 47.454 12.702 7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 47 48.980 11.640 9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 47 49.207 13.197 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 47.487 11.911 11.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 46.812 13.306 10.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 46.593 11.797 9.778 1.00 0.00 H new ATOM 701 N SER A 48 50.565 12.201 4.391 1.00 0.00 N ATOM 702 CA SER A 48 51.238 10.888 4.142 1.00 0.00 C ATOM 703 C SER A 48 51.114 10.484 2.683 1.00 0.00 C ATOM 704 O SER A 48 50.491 11.174 1.899 1.00 0.00 O ATOM 705 CB SER A 48 50.591 9.820 5.043 1.00 0.00 C ATOM 706 OG SER A 48 50.816 10.296 6.361 1.00 0.00 O ATOM 0 H SER A 48 49.614 12.268 4.028 1.00 0.00 H new ATOM 0 HA SER A 48 52.299 10.979 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 48 49.527 9.714 4.834 1.00 0.00 H new ATOM 0 HB3 SER A 48 51.045 8.841 4.890 1.00 0.00 H new ATOM 0 HG SER A 48 50.429 9.668 7.006 1.00 0.00 H new ATOM 712 N LYS A 49 51.734 9.360 2.406 1.00 0.00 N ATOM 713 CA LYS A 49 51.777 8.728 1.046 1.00 0.00 C ATOM 714 C LYS A 49 50.489 8.928 0.243 1.00 0.00 C ATOM 715 O LYS A 49 50.521 8.979 -0.972 1.00 0.00 O ATOM 716 CB LYS A 49 52.044 7.215 1.211 1.00 0.00 C ATOM 717 CG LYS A 49 53.390 6.944 1.949 1.00 0.00 C ATOM 718 CD LYS A 49 54.620 7.529 1.201 1.00 0.00 C ATOM 719 CE LYS A 49 54.757 6.912 -0.204 1.00 0.00 C ATOM 720 NZ LYS A 49 55.953 7.477 -0.887 1.00 0.00 N ATOM 0 H LYS A 49 52.241 8.826 3.111 1.00 0.00 H new ATOM 0 HA LYS A 49 52.575 9.217 0.487 1.00 0.00 H new ATOM 0 HB2 LYS A 49 51.225 6.760 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 49 52.065 6.740 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 49 53.342 7.373 2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 49 53.522 5.869 2.069 1.00 0.00 H new ATOM 0 HD2 LYS A 49 54.519 8.611 1.118 1.00 0.00 H new ATOM 0 HD3 LYS A 49 55.525 7.336 1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 49 54.848 5.828 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 49 53.861 7.117 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 55.985 7.136 -1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 55.897 8.515 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 56.813 7.174 -0.387 1.00 0.00 H new ATOM 734 N ASP A 50 49.399 9.038 0.960 1.00 0.00 N ATOM 735 CA ASP A 50 48.074 9.236 0.298 1.00 0.00 C ATOM 736 C ASP A 50 47.008 9.621 1.343 1.00 0.00 C ATOM 737 O ASP A 50 46.007 8.950 1.509 1.00 0.00 O ATOM 738 CB ASP A 50 47.687 7.913 -0.438 1.00 0.00 C ATOM 739 CG ASP A 50 46.355 8.089 -1.196 1.00 0.00 C ATOM 740 OD1 ASP A 50 46.352 8.905 -2.105 1.00 0.00 O ATOM 741 OD2 ASP A 50 45.417 7.401 -0.827 1.00 0.00 O ATOM 0 H ASP A 50 49.370 8.999 1.979 1.00 0.00 H new ATOM 0 HA ASP A 50 48.132 10.049 -0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 50 48.476 7.634 -1.136 1.00 0.00 H new ATOM 0 HB3 ASP A 50 47.598 7.101 0.283 1.00 0.00 H new ATOM 746 N SER A 51 47.260 10.708 2.028 1.00 0.00 N ATOM 747 CA SER A 51 46.302 11.194 3.071 1.00 0.00 C ATOM 748 C SER A 51 45.146 11.945 2.358 1.00 0.00 C ATOM 749 O SER A 51 44.855 11.668 1.210 1.00 0.00 O ATOM 750 CB SER A 51 47.116 12.097 4.025 1.00 0.00 C ATOM 751 OG SER A 51 46.247 12.465 5.088 1.00 0.00 O ATOM 0 H SER A 51 48.093 11.284 1.910 1.00 0.00 H new ATOM 0 HA SER A 51 45.847 10.392 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 51 47.989 11.568 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 51 47.482 12.981 3.502 1.00 0.00 H new ATOM 0 HG SER A 51 46.269 13.438 5.206 1.00 0.00 H new ATOM 757 N SER A 52 44.521 12.866 3.047 1.00 0.00 N ATOM 758 CA SER A 52 43.388 13.668 2.486 1.00 0.00 C ATOM 759 C SER A 52 43.407 15.068 3.126 1.00 0.00 C ATOM 760 O SER A 52 42.397 15.744 3.181 1.00 0.00 O ATOM 761 CB SER A 52 42.057 12.953 2.803 1.00 0.00 C ATOM 762 OG SER A 52 42.164 11.691 2.160 1.00 0.00 O ATOM 0 H SER A 52 44.758 13.104 4.010 1.00 0.00 H new ATOM 0 HA SER A 52 43.489 13.765 1.405 1.00 0.00 H new ATOM 0 HB2 SER A 52 41.915 12.839 3.878 1.00 0.00 H new ATOM 0 HB3 SER A 52 41.204 13.518 2.427 1.00 0.00 H new ATOM 0 HG SER A 52 41.348 11.173 2.319 1.00 0.00 H new ATOM 768 N GLU A 53 44.569 15.456 3.594 1.00 0.00 N ATOM 769 CA GLU A 53 44.738 16.794 4.242 1.00 0.00 C ATOM 770 C GLU A 53 46.239 17.090 4.102 1.00 0.00 C ATOM 771 O GLU A 53 47.061 16.248 4.415 1.00 0.00 O ATOM 772 CB GLU A 53 44.330 16.702 5.732 1.00 0.00 C ATOM 773 CG GLU A 53 44.152 18.114 6.360 1.00 0.00 C ATOM 774 CD GLU A 53 45.412 18.989 6.240 1.00 0.00 C ATOM 775 OE1 GLU A 53 46.419 18.592 6.802 1.00 0.00 O ATOM 776 OE2 GLU A 53 45.294 20.012 5.586 1.00 0.00 O ATOM 0 H GLU A 53 45.419 14.894 3.553 1.00 0.00 H new ATOM 0 HA GLU A 53 44.123 17.574 3.793 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.399 16.142 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 53 45.089 16.149 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 53 43.318 18.619 5.873 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.890 18.007 7.413 1.00 0.00 H new ATOM 783 N CYS A 54 46.550 18.273 3.638 1.00 0.00 N ATOM 784 CA CYS A 54 47.978 18.665 3.457 1.00 0.00 C ATOM 785 C CYS A 54 48.491 19.580 4.580 1.00 0.00 C ATOM 786 O CYS A 54 47.916 20.608 4.880 1.00 0.00 O ATOM 787 CB CYS A 54 48.097 19.364 2.119 1.00 0.00 C ATOM 788 SG CYS A 54 47.499 18.470 0.664 1.00 0.00 S ATOM 0 H CYS A 54 45.871 18.988 3.376 1.00 0.00 H new ATOM 0 HA CYS A 54 48.594 17.767 3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 54 47.556 20.308 2.182 1.00 0.00 H new ATOM 0 HB3 CYS A 54 49.147 19.608 1.958 1.00 0.00 H new ATOM 793 N VAL A 55 49.580 19.144 5.151 1.00 0.00 N ATOM 794 CA VAL A 55 50.276 19.858 6.270 1.00 0.00 C ATOM 795 C VAL A 55 51.583 20.464 5.755 1.00 0.00 C ATOM 796 O VAL A 55 52.094 20.021 4.750 1.00 0.00 O ATOM 797 CB VAL A 55 50.597 18.853 7.411 1.00 0.00 C ATOM 798 CG1 VAL A 55 49.295 18.322 8.036 1.00 0.00 C ATOM 799 CG2 VAL A 55 51.356 17.639 6.833 1.00 0.00 C ATOM 0 H VAL A 55 50.041 18.277 4.875 1.00 0.00 H new ATOM 0 HA VAL A 55 49.628 20.648 6.649 1.00 0.00 H new ATOM 0 HB VAL A 55 51.196 19.370 8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 55 49.535 17.619 8.834 1.00 0.00 H new ATOM 0 HG12 VAL A 55 48.722 19.154 8.445 1.00 0.00 H new ATOM 0 HG13 VAL A 55 48.705 17.816 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 55 51.580 16.935 7.634 1.00 0.00 H new ATOM 0 HG22 VAL A 55 50.738 17.148 6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 55 52.286 17.976 6.375 1.00 0.00 H new ATOM 809 N HIS A 56 52.094 21.454 6.441 1.00 0.00 N ATOM 810 CA HIS A 56 53.375 22.087 5.995 1.00 0.00 C ATOM 811 C HIS A 56 54.552 21.184 6.402 1.00 0.00 C ATOM 812 O HIS A 56 54.411 20.380 7.303 1.00 0.00 O ATOM 813 CB HIS A 56 53.525 23.460 6.657 1.00 0.00 C ATOM 814 CG HIS A 56 52.412 24.388 6.167 1.00 0.00 C ATOM 815 ND1 HIS A 56 52.463 25.084 5.079 1.00 0.00 N ATOM 816 CD2 HIS A 56 51.178 24.696 6.713 1.00 0.00 C ATOM 817 CE1 HIS A 56 51.371 25.767 4.946 1.00 0.00 C ATOM 818 NE2 HIS A 56 50.543 25.555 5.940 1.00 0.00 N ATOM 0 H HIS A 56 51.684 21.851 7.286 1.00 0.00 H new ATOM 0 HA HIS A 56 53.367 22.211 4.912 1.00 0.00 H new ATOM 0 HB2 HIS A 56 53.478 23.360 7.741 1.00 0.00 H new ATOM 0 HB3 HIS A 56 54.499 23.886 6.418 1.00 0.00 H new ATOM 0 HD1 HIS A 56 53.245 25.094 4.424 1.00 0.00 H new ATOM 0 HD2 HIS A 56 50.792 24.292 7.637 1.00 0.00 H new ATOM 0 HE1 HIS A 56 51.167 26.430 4.118 1.00 0.00 H new ATOM 826 N PRO A 57 55.677 21.331 5.735 1.00 0.00 N ATOM 827 CA PRO A 57 56.921 20.640 6.134 1.00 0.00 C ATOM 828 C PRO A 57 57.306 20.975 7.583 1.00 0.00 C ATOM 829 O PRO A 57 57.881 20.155 8.274 1.00 0.00 O ATOM 830 CB PRO A 57 57.972 21.183 5.141 1.00 0.00 C ATOM 831 CG PRO A 57 57.369 22.411 4.561 1.00 0.00 C ATOM 832 CD PRO A 57 55.898 22.163 4.536 1.00 0.00 C ATOM 0 HA PRO A 57 56.827 19.554 6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.911 21.408 5.647 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.195 20.451 4.365 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.608 23.287 5.163 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.752 22.599 3.558 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.332 23.093 4.581 1.00 0.00 H new ATOM 0 HD3 PRO A 57 55.592 21.647 3.626 1.00 0.00 H new ATOM 840 N SER A 58 56.959 22.177 7.968 1.00 0.00 N ATOM 841 CA SER A 58 57.250 22.680 9.345 1.00 0.00 C ATOM 842 C SER A 58 56.421 21.939 10.408 1.00 0.00 C ATOM 843 O SER A 58 56.815 21.872 11.556 1.00 0.00 O ATOM 844 CB SER A 58 56.937 24.187 9.386 1.00 0.00 C ATOM 845 OG SER A 58 55.559 24.284 9.052 1.00 0.00 O ATOM 0 H SER A 58 56.474 22.847 7.370 1.00 0.00 H new ATOM 0 HA SER A 58 58.301 22.500 9.573 1.00 0.00 H new ATOM 0 HB2 SER A 58 57.134 24.605 10.373 1.00 0.00 H new ATOM 0 HB3 SER A 58 57.555 24.738 8.677 1.00 0.00 H new ATOM 0 HG SER A 58 55.286 25.225 9.060 1.00 0.00 H new ATOM 851 N LYS A 59 55.299 21.407 9.987 1.00 0.00 N ATOM 852 CA LYS A 59 54.403 20.660 10.927 1.00 0.00 C ATOM 853 C LYS A 59 54.874 19.220 10.948 1.00 0.00 C ATOM 854 O LYS A 59 55.093 18.637 11.992 1.00 0.00 O ATOM 855 CB LYS A 59 52.962 20.627 10.449 1.00 0.00 C ATOM 856 CG LYS A 59 52.380 22.019 10.274 1.00 0.00 C ATOM 857 CD LYS A 59 50.950 21.859 9.718 1.00 0.00 C ATOM 858 CE LYS A 59 49.993 21.175 10.721 1.00 0.00 C ATOM 859 NZ LYS A 59 49.920 21.966 11.983 1.00 0.00 N ATOM 0 H LYS A 59 54.963 21.458 9.025 1.00 0.00 H new ATOM 0 HA LYS A 59 54.445 21.155 11.897 1.00 0.00 H new ATOM 0 HB2 LYS A 59 52.908 20.091 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 59 52.357 20.070 11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 59 52.364 22.550 11.226 1.00 0.00 H new ATOM 0 HG3 LYS A 59 52.993 22.607 9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 59 50.554 22.840 9.456 1.00 0.00 H new ATOM 0 HD3 LYS A 59 50.985 21.274 8.799 1.00 0.00 H new ATOM 0 HE2 LYS A 59 48.999 21.083 10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 59 50.341 20.165 10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 49.111 21.641 12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 50.798 21.836 12.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 49.800 22.974 11.755 1.00 0.00 H new ATOM 873 N CYS A 60 55.000 18.718 9.744 1.00 0.00 N ATOM 874 CA CYS A 60 55.444 17.322 9.525 1.00 0.00 C ATOM 875 C CYS A 60 56.596 16.895 10.461 1.00 0.00 C ATOM 876 O CYS A 60 57.562 17.641 10.507 1.00 0.00 O ATOM 877 CB CYS A 60 55.903 17.155 8.068 1.00 0.00 C ATOM 878 SG CYS A 60 54.725 17.210 6.697 1.00 0.00 S ATOM 879 OXT CYS A 60 56.440 15.853 11.075 1.00 0.00 O ATOM 0 H CYS A 60 54.807 19.238 8.888 1.00 0.00 H new ATOM 0 HA CYS A 60 54.590 16.683 9.748 1.00 0.00 H new ATOM 0 HB2 CYS A 60 56.646 17.929 7.879 1.00 0.00 H new ATOM 0 HB3 CYS A 60 56.418 16.196 8.005 1.00 0.00 H new TER 884 CYS A 60