USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 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 Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.01 K(o=-1,f=-3.6) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -33:sc= 0.0986 USER MOD Single : A 29 THR OG1 : rot 111:sc= 0.75 USER MOD Single : A 35 SER OG : rot -33:sc= 0.225 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.365 X(o=-0.37,f=-0.65) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0561) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 122:sc= 0.32 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00201) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -114:sc= 0.0332 (180deg=-0.725) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 12.962 34.038 32.585 1.00 20.00 N ATOM 18 CA GLU A 2 13.743 32.822 32.352 1.00 20.00 C ATOM 19 C GLU A 2 15.007 33.099 31.531 1.00 20.00 C ATOM 20 O GLU A 2 16.065 32.555 31.837 1.00 20.00 O ATOM 21 CB GLU A 2 12.870 31.774 31.648 1.00 20.00 C ATOM 22 CG GLU A 2 13.487 30.368 31.687 1.00 20.00 C ATOM 23 CD GLU A 2 13.516 29.759 33.089 1.00 20.00 C ATOM 24 OE1 GLU A 2 12.566 29.010 33.409 1.00 20.00 O ATOM 25 OE2 GLU A 2 14.493 30.025 33.823 1.00 20.00 O ATOM 0 HA GLU A 2 14.065 32.441 33.321 1.00 20.00 H new ATOM 0 HB2 GLU A 2 11.888 31.749 32.120 1.00 20.00 H new ATOM 0 HB3 GLU A 2 12.718 32.071 30.610 1.00 20.00 H new ATOM 0 HG2 GLU A 2 12.921 29.712 31.025 1.00 20.00 H new ATOM 0 HG3 GLU A 2 14.504 30.414 31.297 1.00 20.00 H new ATOM 32 N CYS A 3 14.896 33.955 30.507 1.00 20.00 N ATOM 33 CA CYS A 3 15.987 34.304 29.603 1.00 20.00 C ATOM 34 C CYS A 3 17.150 34.991 30.342 1.00 20.00 C ATOM 35 O CYS A 3 18.312 34.733 30.031 1.00 20.00 O ATOM 36 CB CYS A 3 15.402 35.188 28.497 1.00 20.00 C ATOM 37 SG CYS A 3 16.372 35.296 26.975 1.00 20.00 S ATOM 0 H CYS A 3 14.023 34.432 30.283 1.00 20.00 H new ATOM 0 HA CYS A 3 16.418 33.402 29.169 1.00 20.00 H new ATOM 0 HB2 CYS A 3 14.409 34.814 28.246 1.00 20.00 H new ATOM 0 HB3 CYS A 3 15.272 36.195 28.894 1.00 20.00 H new ATOM 42 N VAL A 4 16.829 35.819 31.349 1.00 20.00 N ATOM 43 CA VAL A 4 17.783 36.503 32.224 1.00 20.00 C ATOM 44 C VAL A 4 18.358 35.532 33.269 1.00 20.00 C ATOM 45 O VAL A 4 19.560 35.565 33.528 1.00 20.00 O ATOM 46 CB VAL A 4 17.090 37.707 32.905 1.00 20.00 C ATOM 47 CG1 VAL A 4 18.046 38.466 33.840 1.00 20.00 C ATOM 48 CG2 VAL A 4 16.542 38.704 31.868 1.00 20.00 C ATOM 0 H VAL A 4 15.860 36.036 31.581 1.00 20.00 H new ATOM 0 HA VAL A 4 18.616 36.871 31.625 1.00 20.00 H new ATOM 0 HB VAL A 4 16.269 37.289 33.487 1.00 20.00 H new ATOM 0 HG11 VAL A 4 17.519 39.303 34.297 1.00 20.00 H new ATOM 0 HG12 VAL A 4 18.403 37.793 34.619 1.00 20.00 H new ATOM 0 HG13 VAL A 4 18.894 38.840 33.267 1.00 20.00 H new ATOM 0 HG21 VAL A 4 16.062 39.537 32.382 1.00 20.00 H new ATOM 0 HG22 VAL A 4 17.362 39.080 31.256 1.00 20.00 H new ATOM 0 HG23 VAL A 4 15.814 38.203 31.231 1.00 20.00 H new ATOM 58 N SER A 5 17.511 34.670 33.856 1.00 20.00 N ATOM 59 CA SER A 5 17.876 33.702 34.891 1.00 20.00 C ATOM 60 C SER A 5 18.913 32.688 34.389 1.00 20.00 C ATOM 61 O SER A 5 19.890 32.415 35.086 1.00 20.00 O ATOM 62 CB SER A 5 16.605 32.991 35.371 1.00 20.00 C ATOM 63 OG SER A 5 16.893 32.091 36.417 1.00 20.00 O ATOM 0 H SER A 5 16.522 34.631 33.611 1.00 20.00 H new ATOM 0 HA SER A 5 18.339 34.235 35.721 1.00 20.00 H new ATOM 0 HB2 SER A 5 15.878 33.729 35.711 1.00 20.00 H new ATOM 0 HB3 SER A 5 16.149 32.454 34.540 1.00 20.00 H new ATOM 0 HG SER A 5 16.067 31.651 36.707 1.00 20.00 H new ATOM 69 N LYS A 6 18.717 32.165 33.171 1.00 20.00 N ATOM 70 CA LYS A 6 19.624 31.242 32.487 1.00 20.00 C ATOM 71 C LYS A 6 20.957 31.896 32.075 1.00 20.00 C ATOM 72 O LYS A 6 21.895 31.176 31.736 1.00 20.00 O ATOM 73 CB LYS A 6 18.915 30.681 31.247 1.00 20.00 C ATOM 74 CG LYS A 6 17.766 29.710 31.570 1.00 20.00 C ATOM 75 CD LYS A 6 18.250 28.304 31.955 1.00 20.00 C ATOM 76 CE LYS A 6 18.748 27.534 30.726 1.00 20.00 C ATOM 77 NZ LYS A 6 19.088 26.138 31.054 1.00 20.00 N ATOM 0 H LYS A 6 17.889 32.384 32.616 1.00 20.00 H new ATOM 0 HA LYS A 6 19.874 30.446 33.189 1.00 20.00 H new ATOM 0 HB2 LYS A 6 18.522 31.511 30.659 1.00 20.00 H new ATOM 0 HB3 LYS A 6 19.647 30.167 30.624 1.00 20.00 H new ATOM 0 HG2 LYS A 6 17.173 30.119 32.388 1.00 20.00 H new ATOM 0 HG3 LYS A 6 17.108 29.636 30.704 1.00 20.00 H new ATOM 0 HD2 LYS A 6 19.052 28.381 32.689 1.00 20.00 H new ATOM 0 HD3 LYS A 6 17.437 27.753 32.428 1.00 20.00 H new ATOM 0 HE2 LYS A 6 17.980 27.549 29.952 1.00 20.00 H new ATOM 0 HE3 LYS A 6 19.625 28.034 30.315 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 19.420 25.651 30.197 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 19.839 26.123 31.774 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 18.245 25.653 31.423 1.00 20.00 H new ATOM 91 N GLY A 7 21.058 33.233 32.123 1.00 20.00 N ATOM 92 CA GLY A 7 22.294 33.990 31.941 1.00 20.00 C ATOM 93 C GLY A 7 22.479 34.582 30.540 1.00 20.00 C ATOM 94 O GLY A 7 23.508 35.209 30.292 1.00 20.00 O ATOM 0 H GLY A 7 20.251 33.832 32.296 1.00 20.00 H new ATOM 0 HA2 GLY A 7 22.319 34.800 32.670 1.00 20.00 H new ATOM 0 HA3 GLY A 7 23.140 33.338 32.160 1.00 20.00 H new ATOM 98 N PHE A 8 21.514 34.389 29.630 1.00 20.00 N ATOM 99 CA PHE A 8 21.564 34.870 28.251 1.00 20.00 C ATOM 100 C PHE A 8 21.321 36.386 28.158 1.00 20.00 C ATOM 101 O PHE A 8 21.025 37.049 29.154 1.00 20.00 O ATOM 102 CB PHE A 8 20.544 34.092 27.405 1.00 20.00 C ATOM 103 CG PHE A 8 20.617 32.583 27.550 1.00 20.00 C ATOM 104 CD1 PHE A 8 21.825 31.905 27.296 1.00 20.00 C ATOM 105 CD2 PHE A 8 19.480 31.853 27.948 1.00 20.00 C ATOM 106 CE1 PHE A 8 21.898 30.510 27.453 1.00 20.00 C ATOM 107 CE2 PHE A 8 19.541 30.452 28.044 1.00 20.00 C ATOM 108 CZ PHE A 8 20.751 29.781 27.808 1.00 20.00 C ATOM 0 H PHE A 8 20.656 33.880 29.843 1.00 20.00 H new ATOM 0 HA PHE A 8 22.567 34.694 27.861 1.00 20.00 H new ATOM 0 HB2 PHE A 8 19.541 34.421 27.677 1.00 20.00 H new ATOM 0 HB3 PHE A 8 20.691 34.350 26.356 1.00 20.00 H new ATOM 0 HD1 PHE A 8 22.697 32.458 26.980 1.00 20.00 H new ATOM 0 HD2 PHE A 8 18.561 32.370 28.180 1.00 20.00 H new ATOM 0 HE1 PHE A 8 22.837 29.998 27.301 1.00 20.00 H new ATOM 0 HE2 PHE A 8 18.655 29.890 28.300 1.00 20.00 H new ATOM 0 HZ PHE A 8 20.800 28.706 27.899 1.00 20.00 H new ATOM 118 N GLY A 9 21.450 36.923 26.938 1.00 20.00 N ATOM 119 CA GLY A 9 21.274 38.335 26.623 1.00 20.00 C ATOM 120 C GLY A 9 19.936 38.617 25.940 1.00 20.00 C ATOM 121 O GLY A 9 19.173 37.703 25.618 1.00 20.00 O ATOM 0 H GLY A 9 21.688 36.362 26.120 1.00 20.00 H new ATOM 0 HA2 GLY A 9 21.341 38.920 27.540 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.086 38.664 25.975 1.00 20.00 H new ATOM 125 N CYS A 10 19.683 39.909 25.705 1.00 20.00 N ATOM 126 CA CYS A 10 18.502 40.433 25.033 1.00 20.00 C ATOM 127 C CYS A 10 18.930 41.459 23.975 1.00 20.00 C ATOM 128 O CYS A 10 18.645 42.652 24.090 1.00 20.00 O ATOM 129 CB CYS A 10 17.514 41.015 26.054 1.00 20.00 C ATOM 130 SG CYS A 10 16.857 39.863 27.287 1.00 20.00 S ATOM 0 H CYS A 10 20.327 40.645 25.993 1.00 20.00 H new ATOM 0 HA CYS A 10 17.978 39.626 24.520 1.00 20.00 H new ATOM 0 HB2 CYS A 10 18.008 41.832 26.579 1.00 20.00 H new ATOM 0 HB3 CYS A 10 16.675 41.447 25.509 1.00 20.00 H new ATOM 135 N LEU A 11 19.638 40.983 22.942 1.00 20.00 N ATOM 136 CA LEU A 11 20.047 41.784 21.789 1.00 20.00 C ATOM 137 C LEU A 11 18.829 42.077 20.891 1.00 20.00 C ATOM 138 O LEU A 11 17.850 41.331 20.936 1.00 20.00 O ATOM 139 CB LEU A 11 21.141 41.024 21.006 1.00 20.00 C ATOM 140 CG LEU A 11 22.582 41.149 21.546 1.00 20.00 C ATOM 141 CD1 LEU A 11 23.100 42.594 21.523 1.00 20.00 C ATOM 142 CD2 LEU A 11 22.756 40.558 22.951 1.00 20.00 C ATOM 0 H LEU A 11 19.946 40.012 22.887 1.00 20.00 H new ATOM 0 HA LEU A 11 20.453 42.737 22.127 1.00 20.00 H new ATOM 0 HB2 LEU A 11 20.874 39.967 20.984 1.00 20.00 H new ATOM 0 HB3 LEU A 11 21.131 41.376 19.975 1.00 20.00 H new ATOM 0 HG LEU A 11 23.184 40.556 20.858 1.00 20.00 H new ATOM 0 HD11 LEU A 11 24.117 42.622 21.914 1.00 20.00 H new ATOM 0 HD12 LEU A 11 23.094 42.966 20.499 1.00 20.00 H new ATOM 0 HD13 LEU A 11 22.457 43.221 22.141 1.00 20.00 H new ATOM 0 HD21 LEU A 11 23.791 40.679 23.271 1.00 20.00 H new ATOM 0 HD22 LEU A 11 22.098 41.077 23.648 1.00 20.00 H new ATOM 0 HD23 LEU A 11 22.503 39.498 22.934 1.00 20.00 H new ATOM 154 N PRO A 12 18.868 43.130 20.049 1.00 20.00 N ATOM 155 CA PRO A 12 17.802 43.432 19.096 1.00 20.00 C ATOM 156 C PRO A 12 17.743 42.388 17.973 1.00 20.00 C ATOM 157 O PRO A 12 18.690 41.626 17.776 1.00 20.00 O ATOM 158 CB PRO A 12 18.121 44.834 18.566 1.00 20.00 C ATOM 159 CG PRO A 12 19.641 44.912 18.669 1.00 20.00 C ATOM 160 CD PRO A 12 19.938 44.111 19.934 1.00 20.00 C ATOM 0 HA PRO A 12 16.817 43.401 19.562 1.00 20.00 H new ATOM 0 HB2 PRO A 12 17.781 44.962 17.539 1.00 20.00 H new ATOM 0 HB3 PRO A 12 17.637 45.609 19.161 1.00 20.00 H new ATOM 0 HG2 PRO A 12 20.128 44.481 17.794 1.00 20.00 H new ATOM 0 HG3 PRO A 12 19.988 45.942 18.752 1.00 20.00 H new ATOM 0 HD2 PRO A 12 20.910 43.622 19.867 1.00 20.00 H new ATOM 0 HD3 PRO A 12 19.968 44.760 20.809 1.00 20.00 H new ATOM 168 N GLN A 13 16.638 42.378 17.213 1.00 20.00 N ATOM 169 CA GLN A 13 16.455 41.473 16.074 1.00 20.00 C ATOM 170 C GLN A 13 17.530 41.704 14.995 1.00 20.00 C ATOM 171 O GLN A 13 17.937 40.755 14.329 1.00 20.00 O ATOM 172 CB GLN A 13 15.062 41.642 15.437 1.00 20.00 C ATOM 173 CG GLN A 13 13.872 41.258 16.335 1.00 20.00 C ATOM 174 CD GLN A 13 13.566 42.281 17.429 1.00 20.00 C ATOM 175 OE1 GLN A 13 13.645 41.977 18.613 1.00 20.00 O ATOM 176 NE2 GLN A 13 13.209 43.507 17.053 1.00 20.00 N ATOM 0 H GLN A 13 15.845 43.000 17.373 1.00 20.00 H new ATOM 0 HA GLN A 13 16.549 40.459 16.464 1.00 20.00 H new ATOM 0 HB2 GLN A 13 14.944 42.682 15.133 1.00 20.00 H new ATOM 0 HB3 GLN A 13 15.020 41.038 14.531 1.00 20.00 H new ATOM 0 HG2 GLN A 13 12.986 41.130 15.713 1.00 20.00 H new ATOM 0 HG3 GLN A 13 14.077 40.294 16.800 1.00 20.00 H new ATOM 0 HE21 GLN A 13 13.149 43.739 16.062 1.00 20.00 H new ATOM 0 HE22 GLN A 13 12.995 44.214 17.756 1.00 20.00 H new ATOM 185 N SER A 14 18.005 42.947 14.828 1.00 20.00 N ATOM 186 CA SER A 14 19.021 43.310 13.843 1.00 20.00 C ATOM 187 C SER A 14 20.379 42.658 14.144 1.00 20.00 C ATOM 188 O SER A 14 21.008 42.124 13.229 1.00 20.00 O ATOM 189 CB SER A 14 19.149 44.836 13.800 1.00 20.00 C ATOM 190 OG SER A 14 19.966 45.230 12.718 1.00 20.00 O ATOM 0 H SER A 14 17.685 43.738 15.386 1.00 20.00 H new ATOM 0 HA SER A 14 18.706 42.936 12.869 1.00 20.00 H new ATOM 0 HB2 SER A 14 18.162 45.288 13.702 1.00 20.00 H new ATOM 0 HB3 SER A 14 19.574 45.198 14.736 1.00 20.00 H new ATOM 0 HG SER A 14 20.038 46.207 12.701 1.00 20.00 H new ATOM 196 N ASP A 15 20.825 42.699 15.410 1.00 20.00 N ATOM 197 CA ASP A 15 22.118 42.170 15.839 1.00 20.00 C ATOM 198 C ASP A 15 22.072 40.650 16.037 1.00 20.00 C ATOM 199 O ASP A 15 22.934 39.950 15.509 1.00 20.00 O ATOM 200 CB ASP A 15 22.566 42.882 17.122 1.00 20.00 C ATOM 201 CG ASP A 15 24.004 42.517 17.493 1.00 20.00 C ATOM 202 OD1 ASP A 15 24.923 43.028 16.816 1.00 20.00 O ATOM 203 OD2 ASP A 15 24.178 41.744 18.461 1.00 20.00 O ATOM 0 H ASP A 15 20.284 43.108 16.172 1.00 20.00 H new ATOM 0 HA ASP A 15 22.847 42.363 15.052 1.00 20.00 H new ATOM 0 HB2 ASP A 15 22.487 43.961 16.987 1.00 20.00 H new ATOM 0 HB3 ASP A 15 21.899 42.613 17.941 1.00 20.00 H new ATOM 208 N CYS A 16 21.078 40.142 16.782 1.00 20.00 N ATOM 209 CA CYS A 16 20.914 38.723 17.071 1.00 20.00 C ATOM 210 C CYS A 16 20.552 37.948 15.790 1.00 20.00 C ATOM 211 O CYS A 16 19.550 38.287 15.154 1.00 20.00 O ATOM 212 CB CYS A 16 19.819 38.525 18.126 1.00 20.00 C ATOM 213 SG CYS A 16 19.732 36.827 18.755 1.00 20.00 S ATOM 0 H CYS A 16 20.355 40.724 17.205 1.00 20.00 H new ATOM 0 HA CYS A 16 21.858 38.338 17.457 1.00 20.00 H new ATOM 0 HB2 CYS A 16 19.998 39.205 18.959 1.00 20.00 H new ATOM 0 HB3 CYS A 16 18.855 38.796 17.695 1.00 20.00 H new ATOM 218 N PRO A 17 21.309 36.896 15.411 1.00 20.00 N ATOM 219 CA PRO A 17 20.944 36.017 14.304 1.00 20.00 C ATOM 220 C PRO A 17 19.703 35.186 14.671 1.00 20.00 C ATOM 221 O PRO A 17 19.370 35.039 15.847 1.00 20.00 O ATOM 222 CB PRO A 17 22.185 35.152 14.067 1.00 20.00 C ATOM 223 CG PRO A 17 22.776 35.017 15.469 1.00 20.00 C ATOM 224 CD PRO A 17 22.505 36.394 16.076 1.00 20.00 C ATOM 0 HA PRO A 17 20.671 36.558 13.398 1.00 20.00 H new ATOM 0 HB2 PRO A 17 21.927 34.182 13.642 1.00 20.00 H new ATOM 0 HB3 PRO A 17 22.883 35.627 13.378 1.00 20.00 H new ATOM 0 HG2 PRO A 17 22.295 34.221 16.037 1.00 20.00 H new ATOM 0 HG3 PRO A 17 23.841 34.789 15.440 1.00 20.00 H new ATOM 0 HD2 PRO A 17 22.352 36.323 17.153 1.00 20.00 H new ATOM 0 HD3 PRO A 17 23.350 37.064 15.918 1.00 20.00 H new ATOM 232 N GLN A 18 19.014 34.639 13.660 1.00 20.00 N ATOM 233 CA GLN A 18 17.705 33.996 13.820 1.00 20.00 C ATOM 234 C GLN A 18 17.796 32.629 14.515 1.00 20.00 C ATOM 235 O GLN A 18 16.798 32.138 15.042 1.00 20.00 O ATOM 236 CB GLN A 18 17.026 33.853 12.446 1.00 20.00 C ATOM 237 CG GLN A 18 16.655 35.214 11.839 1.00 20.00 C ATOM 238 CD GLN A 18 15.950 35.059 10.492 1.00 20.00 C ATOM 239 OE1 GLN A 18 14.793 34.648 10.433 1.00 20.00 O ATOM 240 NE2 GLN A 18 16.630 35.404 9.401 1.00 20.00 N ATOM 0 H GLN A 18 19.355 34.631 12.699 1.00 20.00 H new ATOM 0 HA GLN A 18 17.105 34.636 14.466 1.00 20.00 H new ATOM 0 HB2 GLN A 18 17.693 33.323 11.766 1.00 20.00 H new ATOM 0 HB3 GLN A 18 16.127 33.245 12.548 1.00 20.00 H new ATOM 0 HG2 GLN A 18 16.007 35.756 12.528 1.00 20.00 H new ATOM 0 HG3 GLN A 18 17.556 35.813 11.711 1.00 20.00 H new ATOM 0 HE21 GLN A 18 17.589 35.742 9.483 1.00 20.00 H new ATOM 0 HE22 GLN A 18 16.192 35.331 8.483 1.00 20.00 H new ATOM 249 N GLU A 19 18.996 32.040 14.532 1.00 20.00 N ATOM 250 CA GLU A 19 19.332 30.754 15.126 1.00 20.00 C ATOM 251 C GLU A 19 19.489 30.838 16.650 1.00 20.00 C ATOM 252 O GLU A 19 19.020 29.945 17.355 1.00 20.00 O ATOM 253 CB GLU A 19 20.611 30.204 14.470 1.00 20.00 C ATOM 254 CG GLU A 19 21.728 31.241 14.255 1.00 20.00 C ATOM 255 CD GLU A 19 22.995 30.582 13.716 1.00 20.00 C ATOM 256 OE1 GLU A 19 23.247 30.713 12.497 1.00 20.00 O ATOM 257 OE2 GLU A 19 23.700 29.946 14.532 1.00 20.00 O ATOM 0 H GLU A 19 19.808 32.483 14.101 1.00 20.00 H new ATOM 0 HA GLU A 19 18.504 30.070 14.939 1.00 20.00 H new ATOM 0 HB2 GLU A 19 21.000 29.396 15.089 1.00 20.00 H new ATOM 0 HB3 GLU A 19 20.349 29.769 13.506 1.00 20.00 H new ATOM 0 HG2 GLU A 19 21.388 32.007 13.558 1.00 20.00 H new ATOM 0 HG3 GLU A 19 21.948 31.743 15.197 1.00 20.00 H new ATOM 264 N ALA A 20 20.127 31.903 17.154 1.00 20.00 N ATOM 265 CA ALA A 20 20.382 32.124 18.577 1.00 20.00 C ATOM 266 C ALA A 20 19.129 32.543 19.367 1.00 20.00 C ATOM 267 O ALA A 20 19.185 32.584 20.595 1.00 20.00 O ATOM 268 CB ALA A 20 21.485 33.177 18.716 1.00 20.00 C ATOM 0 H ALA A 20 20.488 32.653 16.564 1.00 20.00 H new ATOM 0 HA ALA A 20 20.697 31.175 19.010 1.00 20.00 H new ATOM 0 HB1 ALA A 20 21.688 33.354 19.772 1.00 20.00 H new ATOM 0 HB2 ALA A 20 22.392 32.821 18.227 1.00 20.00 H new ATOM 0 HB3 ALA A 20 21.162 34.107 18.248 1.00 20.00 H new ATOM 274 N ARG A 21 18.009 32.842 18.688 1.00 20.00 N ATOM 275 CA ARG A 21 16.748 33.257 19.308 1.00 20.00 C ATOM 276 C ARG A 21 16.093 32.084 20.043 1.00 20.00 C ATOM 277 O ARG A 21 15.684 31.103 19.421 1.00 20.00 O ATOM 278 CB ARG A 21 15.796 33.848 18.259 1.00 20.00 C ATOM 279 CG ARG A 21 16.373 35.138 17.665 1.00 20.00 C ATOM 280 CD ARG A 21 15.480 35.693 16.558 1.00 20.00 C ATOM 281 NE ARG A 21 16.176 36.755 15.823 1.00 20.00 N ATOM 282 CZ ARG A 21 15.659 37.477 14.822 1.00 20.00 C ATOM 283 NH1 ARG A 21 14.374 37.396 14.477 1.00 20.00 N ATOM 284 NH2 ARG A 21 16.450 38.295 14.137 1.00 20.00 N ATOM 0 H ARG A 21 17.958 32.800 17.670 1.00 20.00 H new ATOM 0 HA ARG A 21 16.967 34.034 20.041 1.00 20.00 H new ATOM 0 HB2 ARG A 21 15.626 33.121 17.465 1.00 20.00 H new ATOM 0 HB3 ARG A 21 14.828 34.054 18.715 1.00 20.00 H new ATOM 0 HG2 ARG A 21 16.485 35.884 18.452 1.00 20.00 H new ATOM 0 HG3 ARG A 21 17.369 34.943 17.267 1.00 20.00 H new ATOM 0 HD2 ARG A 21 15.199 34.893 15.874 1.00 20.00 H new ATOM 0 HD3 ARG A 21 14.558 36.084 16.988 1.00 20.00 H new ATOM 0 HE ARG A 21 17.136 36.961 16.099 1.00 20.00 H new ATOM 0 HH11 ARG A 21 13.749 36.768 14.982 1.00 20.00 H new ATOM 0 HH12 ARG A 21 14.016 37.962 13.708 1.00 20.00 H new ATOM 0 HH21 ARG A 21 17.439 38.367 14.376 1.00 20.00 H new ATOM 0 HH22 ARG A 21 16.069 38.851 13.372 1.00 20.00 H new ATOM 298 N LEU A 22 16.018 32.196 21.374 1.00 20.00 N ATOM 299 CA LEU A 22 15.475 31.182 22.275 1.00 20.00 C ATOM 300 C LEU A 22 13.950 31.290 22.408 1.00 20.00 C ATOM 301 O LEU A 22 13.337 32.256 21.952 1.00 20.00 O ATOM 302 CB LEU A 22 16.147 31.334 23.650 1.00 20.00 C ATOM 303 CG LEU A 22 17.662 31.056 23.615 1.00 20.00 C ATOM 304 CD1 LEU A 22 18.303 31.650 24.866 1.00 20.00 C ATOM 305 CD2 LEU A 22 17.947 29.551 23.530 1.00 20.00 C ATOM 0 H LEU A 22 16.346 33.026 21.868 1.00 20.00 H new ATOM 0 HA LEU A 22 15.686 30.197 21.859 1.00 20.00 H new ATOM 0 HB2 LEU A 22 15.977 32.345 24.021 1.00 20.00 H new ATOM 0 HB3 LEU A 22 15.674 30.652 24.356 1.00 20.00 H new ATOM 0 HG LEU A 22 18.088 31.521 22.726 1.00 20.00 H new ATOM 0 HD11 LEU A 22 19.376 31.459 24.851 1.00 20.00 H new ATOM 0 HD12 LEU A 22 18.127 32.725 24.890 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.865 31.191 25.752 1.00 20.00 H new ATOM 0 HD21 LEU A 22 19.024 29.385 23.507 1.00 20.00 H new ATOM 0 HD22 LEU A 22 17.522 29.050 24.400 1.00 20.00 H new ATOM 0 HD23 LEU A 22 17.498 29.146 22.623 1.00 20.00 H new ATOM 317 N SER A 23 13.350 30.284 23.059 1.00 20.00 N ATOM 318 CA SER A 23 11.908 30.204 23.308 1.00 20.00 C ATOM 319 C SER A 23 11.453 31.014 24.535 1.00 20.00 C ATOM 320 O SER A 23 10.252 31.233 24.698 1.00 20.00 O ATOM 321 CB SER A 23 11.486 28.737 23.466 1.00 20.00 C ATOM 322 OG SER A 23 12.072 28.142 24.608 1.00 20.00 O ATOM 0 H SER A 23 13.866 29.488 23.434 1.00 20.00 H new ATOM 0 HA SER A 23 11.418 30.649 22.442 1.00 20.00 H new ATOM 0 HB2 SER A 23 10.400 28.677 23.542 1.00 20.00 H new ATOM 0 HB3 SER A 23 11.775 28.178 22.576 1.00 20.00 H new ATOM 0 HG SER A 23 11.780 27.209 24.677 1.00 20.00 H new ATOM 328 N TYR A 24 12.391 31.455 25.387 1.00 20.00 N ATOM 329 CA TYR A 24 12.117 32.157 26.638 1.00 20.00 C ATOM 330 C TYR A 24 11.679 33.615 26.414 1.00 20.00 C ATOM 331 O TYR A 24 11.692 34.122 25.289 1.00 20.00 O ATOM 332 CB TYR A 24 13.365 32.099 27.532 1.00 20.00 C ATOM 333 CG TYR A 24 13.938 30.708 27.737 1.00 20.00 C ATOM 334 CD1 TYR A 24 15.266 30.428 27.357 1.00 20.00 C ATOM 335 CD2 TYR A 24 13.138 29.688 28.289 1.00 20.00 C ATOM 336 CE1 TYR A 24 15.793 29.135 27.516 1.00 20.00 C ATOM 337 CE2 TYR A 24 13.663 28.397 28.470 1.00 20.00 C ATOM 338 CZ TYR A 24 14.992 28.116 28.080 1.00 20.00 C ATOM 339 OH TYR A 24 15.499 26.860 28.236 1.00 20.00 O ATOM 0 H TYR A 24 13.388 31.326 25.214 1.00 20.00 H new ATOM 0 HA TYR A 24 11.282 31.656 27.128 1.00 20.00 H new ATOM 0 HB2 TYR A 24 14.137 32.734 27.096 1.00 20.00 H new ATOM 0 HB3 TYR A 24 13.117 32.522 28.506 1.00 20.00 H new ATOM 0 HD1 TYR A 24 15.882 31.212 26.941 1.00 20.00 H new ATOM 0 HD2 TYR A 24 12.118 29.899 28.574 1.00 20.00 H new ATOM 0 HE1 TYR A 24 16.806 28.921 27.209 1.00 20.00 H new ATOM 0 HE2 TYR A 24 13.052 27.621 28.906 1.00 20.00 H new ATOM 0 HH TYR A 24 14.819 26.280 28.639 1.00 20.00 H new ATOM 349 N GLY A 25 11.317 34.284 27.518 1.00 20.00 N ATOM 350 CA GLY A 25 10.919 35.681 27.562 1.00 20.00 C ATOM 351 C GLY A 25 11.535 36.424 28.751 1.00 20.00 C ATOM 352 O GLY A 25 12.342 35.872 29.504 1.00 20.00 O ATOM 0 H GLY A 25 11.296 33.841 28.436 1.00 20.00 H new ATOM 0 HA2 GLY A 25 11.218 36.171 26.636 1.00 20.00 H new ATOM 0 HA3 GLY A 25 9.832 35.745 27.620 1.00 20.00 H new ATOM 356 N GLY A 26 11.154 37.700 28.882 1.00 20.00 N ATOM 357 CA GLY A 26 11.681 38.645 29.859 1.00 20.00 C ATOM 358 C GLY A 26 12.574 39.726 29.238 1.00 20.00 C ATOM 359 O GLY A 26 12.989 40.638 29.950 1.00 20.00 O ATOM 0 H GLY A 26 10.440 38.114 28.283 1.00 20.00 H new ATOM 0 HA2 GLY A 26 10.849 39.124 30.376 1.00 20.00 H new ATOM 0 HA3 GLY A 26 12.252 38.099 30.610 1.00 20.00 H new ATOM 363 N CYS A 27 12.855 39.645 27.929 1.00 20.00 N ATOM 364 CA CYS A 27 13.570 40.665 27.169 1.00 20.00 C ATOM 365 C CYS A 27 12.662 41.847 26.797 1.00 20.00 C ATOM 366 O CYS A 27 11.455 41.831 27.050 1.00 20.00 O ATOM 367 CB CYS A 27 14.168 40.019 25.913 1.00 20.00 C ATOM 368 SG CYS A 27 15.477 38.807 26.229 1.00 20.00 S ATOM 0 H CYS A 27 12.581 38.844 27.360 1.00 20.00 H new ATOM 0 HA CYS A 27 14.367 41.070 27.792 1.00 20.00 H new ATOM 0 HB2 CYS A 27 13.368 39.531 25.357 1.00 20.00 H new ATOM 0 HB3 CYS A 27 14.568 40.805 25.273 1.00 20.00 H new ATOM 373 N SER A 28 13.268 42.861 26.163 1.00 20.00 N ATOM 374 CA SER A 28 12.595 44.053 25.637 1.00 20.00 C ATOM 375 C SER A 28 12.612 44.080 24.096 1.00 20.00 C ATOM 376 O SER A 28 11.949 44.919 23.487 1.00 20.00 O ATOM 377 CB SER A 28 13.251 45.298 26.251 1.00 20.00 C ATOM 378 OG SER A 28 12.506 46.471 25.998 1.00 20.00 O ATOM 0 H SER A 28 14.274 42.872 25.998 1.00 20.00 H new ATOM 0 HA SER A 28 11.543 44.035 25.920 1.00 20.00 H new ATOM 0 HB2 SER A 28 13.354 45.160 27.327 1.00 20.00 H new ATOM 0 HB3 SER A 28 14.257 45.414 25.847 1.00 20.00 H new ATOM 0 HG SER A 28 12.071 46.400 25.123 1.00 20.00 H new ATOM 384 N THR A 29 13.331 43.136 23.469 1.00 20.00 N ATOM 385 CA THR A 29 13.439 42.953 22.026 1.00 20.00 C ATOM 386 C THR A 29 13.207 41.475 21.691 1.00 20.00 C ATOM 387 O THR A 29 12.134 41.124 21.202 1.00 20.00 O ATOM 388 CB THR A 29 14.790 43.482 21.491 1.00 20.00 C ATOM 389 OG1 THR A 29 15.887 43.022 22.258 1.00 20.00 O ATOM 390 CG2 THR A 29 14.841 45.011 21.452 1.00 20.00 C ATOM 0 H THR A 29 13.878 42.448 23.987 1.00 20.00 H new ATOM 0 HA THR A 29 12.671 43.541 21.523 1.00 20.00 H new ATOM 0 HB THR A 29 14.867 43.091 20.476 1.00 20.00 H new ATOM 0 HG1 THR A 29 16.415 42.390 21.727 1.00 20.00 H new ATOM 0 HG21 THR A 29 15.809 45.333 21.069 1.00 20.00 H new ATOM 0 HG22 THR A 29 14.051 45.385 20.801 1.00 20.00 H new ATOM 0 HG23 THR A 29 14.699 45.406 22.458 1.00 20.00 H new ATOM 398 N VAL A 30 14.207 40.625 21.960 1.00 20.00 N ATOM 399 CA VAL A 30 14.228 39.185 21.702 1.00 20.00 C ATOM 400 C VAL A 30 15.398 38.569 22.488 1.00 20.00 C ATOM 401 O VAL A 30 16.404 39.238 22.724 1.00 20.00 O ATOM 402 CB VAL A 30 14.337 38.924 20.174 1.00 20.00 C ATOM 403 CG1 VAL A 30 15.649 39.410 19.536 1.00 20.00 C ATOM 404 CG2 VAL A 30 14.125 37.453 19.808 1.00 20.00 C ATOM 0 H VAL A 30 15.074 40.947 22.390 1.00 20.00 H new ATOM 0 HA VAL A 30 13.304 38.714 22.037 1.00 20.00 H new ATOM 0 HB VAL A 30 13.527 39.524 19.760 1.00 20.00 H new ATOM 0 HG11 VAL A 30 15.639 39.187 18.469 1.00 20.00 H new ATOM 0 HG12 VAL A 30 15.748 40.486 19.681 1.00 20.00 H new ATOM 0 HG13 VAL A 30 16.492 38.902 20.005 1.00 20.00 H new ATOM 0 HG21 VAL A 30 14.212 37.330 18.728 1.00 20.00 H new ATOM 0 HG22 VAL A 30 14.879 36.842 20.305 1.00 20.00 H new ATOM 0 HG23 VAL A 30 13.133 37.137 20.130 1.00 20.00 H new ATOM 414 N CYS A 31 15.283 37.289 22.871 1.00 20.00 N ATOM 415 CA CYS A 31 16.377 36.528 23.477 1.00 20.00 C ATOM 416 C CYS A 31 17.506 36.274 22.475 1.00 20.00 C ATOM 417 O CYS A 31 17.276 36.209 21.266 1.00 20.00 O ATOM 418 CB CYS A 31 15.841 35.190 23.991 1.00 20.00 C ATOM 419 SG CYS A 31 14.918 35.300 25.541 1.00 20.00 S ATOM 0 H CYS A 31 14.422 36.753 22.767 1.00 20.00 H new ATOM 0 HA CYS A 31 16.782 37.114 24.302 1.00 20.00 H new ATOM 0 HB2 CYS A 31 15.196 34.754 23.228 1.00 20.00 H new ATOM 0 HB3 CYS A 31 16.678 34.506 24.129 1.00 20.00 H new ATOM 424 N CYS A 32 18.722 36.079 22.999 1.00 20.00 N ATOM 425 CA CYS A 32 19.887 35.706 22.212 1.00 20.00 C ATOM 426 C CYS A 32 20.862 34.893 23.067 1.00 20.00 C ATOM 427 O CYS A 32 21.424 35.419 24.030 1.00 20.00 O ATOM 428 CB CYS A 32 20.549 36.972 21.643 1.00 20.00 C ATOM 429 SG CYS A 32 21.321 36.711 20.029 1.00 20.00 S ATOM 0 H CYS A 32 18.919 36.179 23.995 1.00 20.00 H new ATOM 0 HA CYS A 32 19.581 35.077 21.376 1.00 20.00 H new ATOM 0 HB2 CYS A 32 19.799 37.758 21.557 1.00 20.00 H new ATOM 0 HB3 CYS A 32 21.303 37.327 22.346 1.00 20.00 H new ATOM 434 N ASP A 33 21.042 33.608 22.722 1.00 20.00 N ATOM 435 CA ASP A 33 21.962 32.702 23.403 1.00 20.00 C ATOM 436 C ASP A 33 23.410 33.108 23.118 1.00 20.00 C ATOM 437 O ASP A 33 23.944 32.848 22.039 1.00 20.00 O ATOM 438 CB ASP A 33 21.699 31.233 23.021 1.00 20.00 C ATOM 439 CG ASP A 33 22.138 30.301 24.144 1.00 20.00 C ATOM 440 OD1 ASP A 33 23.288 30.453 24.609 1.00 20.00 O ATOM 441 OD2 ASP A 33 21.320 29.435 24.521 1.00 20.00 O ATOM 0 H ASP A 33 20.542 33.169 21.949 1.00 20.00 H new ATOM 0 HA ASP A 33 21.789 32.783 24.476 1.00 20.00 H new ATOM 0 HB2 ASP A 33 20.638 31.089 22.815 1.00 20.00 H new ATOM 0 HB3 ASP A 33 22.237 30.987 22.106 1.00 20.00 H new ATOM 446 N LEU A 34 24.036 33.760 24.103 1.00 20.00 N ATOM 447 CA LEU A 34 25.414 34.230 24.028 1.00 20.00 C ATOM 448 C LEU A 34 26.419 33.065 24.017 1.00 20.00 C ATOM 449 O LEU A 34 27.532 33.239 23.524 1.00 20.00 O ATOM 450 CB LEU A 34 25.700 35.180 25.208 1.00 20.00 C ATOM 451 CG LEU A 34 24.676 36.321 25.402 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.110 37.201 26.579 1.00 20.00 C ATOM 453 CD2 LEU A 34 24.499 37.192 24.150 1.00 20.00 C ATOM 0 H LEU A 34 23.585 33.978 24.992 1.00 20.00 H new ATOM 0 HA LEU A 34 25.538 34.768 23.088 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.741 34.592 26.125 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.687 35.620 25.067 1.00 20.00 H new ATOM 0 HG LEU A 34 23.712 35.853 25.603 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.388 38.006 26.717 1.00 20.00 H new ATOM 0 HD12 LEU A 34 25.158 36.598 27.486 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.093 37.626 26.373 1.00 20.00 H new ATOM 0 HD21 LEU A 34 23.767 37.974 24.352 1.00 20.00 H new ATOM 0 HD22 LEU A 34 25.453 37.647 23.886 1.00 20.00 H new ATOM 0 HD23 LEU A 34 24.150 36.574 23.323 1.00 20.00 H new ATOM 465 N SER A 35 26.022 31.884 24.519 1.00 20.00 N ATOM 466 CA SER A 35 26.815 30.657 24.548 1.00 20.00 C ATOM 467 C SER A 35 26.758 29.875 23.221 1.00 20.00 C ATOM 468 O SER A 35 27.515 28.916 23.068 1.00 20.00 O ATOM 469 CB SER A 35 26.326 29.794 25.719 1.00 20.00 C ATOM 470 OG SER A 35 27.193 28.712 25.978 1.00 20.00 O ATOM 0 H SER A 35 25.098 31.759 24.932 1.00 20.00 H new ATOM 0 HA SER A 35 27.863 30.925 24.685 1.00 20.00 H new ATOM 0 HB2 SER A 35 26.240 30.412 26.613 1.00 20.00 H new ATOM 0 HB3 SER A 35 25.329 29.414 25.497 1.00 20.00 H new ATOM 0 HG SER A 35 27.592 28.405 25.138 1.00 20.00 H new ATOM 476 N LYS A 36 25.913 30.285 22.255 1.00 20.00 N ATOM 477 CA LYS A 36 25.762 29.653 20.934 1.00 20.00 C ATOM 478 C LYS A 36 25.970 30.641 19.773 1.00 20.00 C ATOM 479 O LYS A 36 25.674 30.315 18.623 1.00 20.00 O ATOM 480 CB LYS A 36 24.413 28.910 20.825 1.00 20.00 C ATOM 481 CG LYS A 36 24.140 28.008 22.039 1.00 20.00 C ATOM 482 CD LYS A 36 23.091 26.914 21.808 1.00 20.00 C ATOM 483 CE LYS A 36 21.679 27.491 21.735 1.00 20.00 C ATOM 484 NZ LYS A 36 20.673 26.424 21.594 1.00 20.00 N ATOM 0 H LYS A 36 25.299 31.090 22.378 1.00 20.00 H new ATOM 0 HA LYS A 36 26.558 28.914 20.844 1.00 20.00 H new ATOM 0 HB2 LYS A 36 23.607 29.638 20.728 1.00 20.00 H new ATOM 0 HB3 LYS A 36 24.407 28.305 19.918 1.00 20.00 H new ATOM 0 HG2 LYS A 36 25.075 27.536 22.340 1.00 20.00 H new ATOM 0 HG3 LYS A 36 23.815 28.632 22.871 1.00 20.00 H new ATOM 0 HD2 LYS A 36 23.316 26.384 20.882 1.00 20.00 H new ATOM 0 HD3 LYS A 36 23.144 26.183 22.615 1.00 20.00 H new ATOM 0 HE2 LYS A 36 21.474 28.071 22.635 1.00 20.00 H new ATOM 0 HE3 LYS A 36 21.607 28.176 20.890 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 19.724 26.846 21.547 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 20.857 25.887 20.723 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 20.728 25.785 22.413 1.00 20.00 H new ATOM 577 N LYS A 43 32.594 23.866 13.306 1.00 20.00 N ATOM 578 CA LYS A 43 31.659 22.741 13.207 1.00 20.00 C ATOM 579 C LYS A 43 30.248 23.075 13.706 1.00 20.00 C ATOM 580 O LYS A 43 29.284 22.569 13.132 1.00 20.00 O ATOM 581 CB LYS A 43 32.208 21.566 14.027 1.00 20.00 C ATOM 582 CG LYS A 43 33.315 20.783 13.314 1.00 20.00 C ATOM 583 CD LYS A 43 32.744 19.854 12.228 1.00 20.00 C ATOM 584 CE LYS A 43 33.796 18.893 11.669 1.00 20.00 C ATOM 585 NZ LYS A 43 34.821 19.585 10.868 1.00 20.00 N ATOM 0 HA LYS A 43 31.573 22.491 12.150 1.00 20.00 H new ATOM 0 HB2 LYS A 43 32.594 21.944 14.974 1.00 20.00 H new ATOM 0 HB3 LYS A 43 31.390 20.886 14.265 1.00 20.00 H new ATOM 0 HG2 LYS A 43 34.021 21.480 12.863 1.00 20.00 H new ATOM 0 HG3 LYS A 43 33.871 20.193 14.043 1.00 20.00 H new ATOM 0 HD2 LYS A 43 31.916 19.280 12.644 1.00 20.00 H new ATOM 0 HD3 LYS A 43 32.338 20.456 11.415 1.00 20.00 H new ATOM 0 HE2 LYS A 43 34.277 18.366 12.493 1.00 20.00 H new ATOM 0 HE3 LYS A 43 33.305 18.140 11.053 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 35.510 18.892 10.512 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 34.368 20.066 10.065 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 35.310 20.286 11.461 1.00 20.00 H new ATOM 599 N GLY A 44 30.123 23.884 14.768 1.00 20.00 N ATOM 600 CA GLY A 44 28.864 24.120 15.475 1.00 20.00 C ATOM 601 C GLY A 44 28.870 23.542 16.894 1.00 20.00 C ATOM 602 O GLY A 44 27.822 23.091 17.356 1.00 20.00 O ATOM 0 H GLY A 44 30.909 24.399 15.163 1.00 20.00 H new ATOM 0 HA2 GLY A 44 28.674 25.192 15.524 1.00 20.00 H new ATOM 0 HA3 GLY A 44 28.045 23.677 14.909 1.00 20.00 H new ATOM 606 N GLY A 45 30.038 23.515 17.555 1.00 20.00 N ATOM 607 CA GLY A 45 30.239 23.010 18.911 1.00 20.00 C ATOM 608 C GLY A 45 30.558 24.131 19.905 1.00 20.00 C ATOM 609 O GLY A 45 30.641 25.303 19.537 1.00 20.00 O ATOM 0 H GLY A 45 30.901 23.861 17.136 1.00 20.00 H new ATOM 0 HA2 GLY A 45 29.343 22.482 19.237 1.00 20.00 H new ATOM 0 HA3 GLY A 45 31.053 22.285 18.910 1.00 20.00 H new ATOM 613 N GLU A 46 30.744 23.749 21.175 1.00 20.00 N ATOM 614 CA GLU A 46 30.892 24.657 22.317 1.00 20.00 C ATOM 615 C GLU A 46 32.242 24.481 23.032 1.00 20.00 C ATOM 616 O GLU A 46 32.956 23.503 22.799 1.00 20.00 O ATOM 617 CB GLU A 46 29.686 24.476 23.259 1.00 20.00 C ATOM 618 CG GLU A 46 29.624 23.093 23.927 1.00 20.00 C ATOM 619 CD GLU A 46 28.355 22.869 24.758 1.00 20.00 C ATOM 620 OE1 GLU A 46 27.929 21.694 24.830 1.00 20.00 O ATOM 621 OE2 GLU A 46 27.820 23.856 25.313 1.00 20.00 O ATOM 0 H GLU A 46 30.797 22.766 21.443 1.00 20.00 H new ATOM 0 HA GLU A 46 30.899 25.686 21.957 1.00 20.00 H new ATOM 0 HB2 GLU A 46 29.723 25.242 24.033 1.00 20.00 H new ATOM 0 HB3 GLU A 46 28.768 24.638 22.694 1.00 20.00 H new ATOM 0 HG2 GLU A 46 29.684 22.324 23.157 1.00 20.00 H new ATOM 0 HG3 GLU A 46 30.496 22.970 24.570 1.00 20.00 H new ATOM 628 N CYS A 47 32.585 25.443 23.903 1.00 20.00 N ATOM 629 CA CYS A 47 33.882 25.518 24.581 1.00 20.00 C ATOM 630 C CYS A 47 33.916 24.794 25.928 1.00 20.00 C ATOM 631 O CYS A 47 34.875 24.077 26.202 1.00 20.00 O ATOM 632 CB CYS A 47 34.297 26.983 24.733 1.00 20.00 C ATOM 633 SG CYS A 47 34.922 27.734 23.203 1.00 20.00 S ATOM 0 H CYS A 47 31.955 26.203 24.158 1.00 20.00 H new ATOM 0 HA CYS A 47 34.601 24.992 23.953 1.00 20.00 H new ATOM 0 HB2 CYS A 47 33.441 27.558 25.085 1.00 20.00 H new ATOM 0 HB3 CYS A 47 35.066 27.054 25.502 1.00 20.00 H new ATOM 638 N ASN A 48 32.864 24.958 26.739 1.00 20.00 N ATOM 639 CA ASN A 48 32.664 24.361 28.070 1.00 20.00 C ATOM 640 C ASN A 48 33.798 24.651 29.081 1.00 20.00 C ATOM 641 O ASN A 48 34.826 25.223 28.720 1.00 20.00 O ATOM 642 CB ASN A 48 32.342 22.859 27.883 1.00 20.00 C ATOM 643 CG ASN A 48 30.852 22.540 28.001 1.00 20.00 C ATOM 644 OD1 ASN A 48 30.471 21.539 28.600 1.00 20.00 O ATOM 645 ND2 ASN A 48 29.995 23.376 27.424 1.00 20.00 N ATOM 0 H ASN A 48 32.078 25.549 26.468 1.00 20.00 H new ATOM 0 HA ASN A 48 31.813 24.847 28.548 1.00 20.00 H new ATOM 0 HB2 ASN A 48 32.699 22.537 26.905 1.00 20.00 H new ATOM 0 HB3 ASN A 48 32.890 22.282 28.628 1.00 20.00 H new ATOM 0 HD21 ASN A 48 28.993 23.193 27.473 1.00 20.00 H new ATOM 0 HD22 ASN A 48 30.340 24.201 26.933 1.00 20.00 H new ATOM 652 N PRO A 49 33.627 24.307 30.374 1.00 20.00 N ATOM 653 CA PRO A 49 34.686 24.460 31.368 1.00 20.00 C ATOM 654 C PRO A 49 35.816 23.454 31.116 1.00 20.00 C ATOM 655 O PRO A 49 35.574 22.340 30.653 1.00 20.00 O ATOM 656 CB PRO A 49 34.012 24.226 32.724 1.00 20.00 C ATOM 657 CG PRO A 49 32.843 23.309 32.375 1.00 20.00 C ATOM 658 CD PRO A 49 32.413 23.805 31.002 1.00 20.00 C ATOM 0 HA PRO A 49 35.148 25.446 31.325 1.00 20.00 H new ATOM 0 HB2 PRO A 49 34.692 23.759 33.437 1.00 20.00 H new ATOM 0 HB3 PRO A 49 33.672 25.160 33.172 1.00 20.00 H new ATOM 0 HG2 PRO A 49 33.146 22.262 32.349 1.00 20.00 H new ATOM 0 HG3 PRO A 49 32.036 23.389 33.104 1.00 20.00 H new ATOM 0 HD2 PRO A 49 31.971 23.000 30.415 1.00 20.00 H new ATOM 0 HD3 PRO A 49 31.661 24.589 31.086 1.00 20.00 H new ATOM 666 N LEU A 50 37.047 23.841 31.477 1.00 20.00 N ATOM 667 CA LEU A 50 38.254 23.015 31.369 1.00 20.00 C ATOM 668 C LEU A 50 38.175 21.723 32.195 1.00 20.00 C ATOM 669 O LEU A 50 38.862 20.752 31.882 1.00 20.00 O ATOM 670 CB LEU A 50 39.457 23.847 31.856 1.00 20.00 C ATOM 671 CG LEU A 50 40.005 24.758 30.748 1.00 20.00 C ATOM 672 CD1 LEU A 50 40.657 26.027 31.299 1.00 20.00 C ATOM 673 CD2 LEU A 50 41.030 23.988 29.902 1.00 20.00 C ATOM 0 H LEU A 50 37.234 24.766 31.864 1.00 20.00 H new ATOM 0 HA LEU A 50 38.360 22.721 30.325 1.00 20.00 H new ATOM 0 HB2 LEU A 50 39.157 24.454 32.711 1.00 20.00 H new ATOM 0 HB3 LEU A 50 40.246 23.178 32.201 1.00 20.00 H new ATOM 0 HG LEU A 50 39.156 25.063 30.136 1.00 20.00 H new ATOM 0 HD11 LEU A 50 41.027 26.634 30.473 1.00 20.00 H new ATOM 0 HD12 LEU A 50 39.922 26.597 31.867 1.00 20.00 H new ATOM 0 HD13 LEU A 50 41.488 25.756 31.950 1.00 20.00 H new ATOM 0 HD21 LEU A 50 41.416 24.638 29.117 1.00 20.00 H new ATOM 0 HD22 LEU A 50 41.852 23.659 30.537 1.00 20.00 H new ATOM 0 HD23 LEU A 50 40.550 23.120 29.450 1.00 20.00 H new ATOM 685 N ASP A 51 37.341 21.723 33.241 1.00 20.00 N ATOM 686 CA ASP A 51 37.147 20.626 34.182 1.00 20.00 C ATOM 687 C ASP A 51 36.256 19.502 33.623 1.00 20.00 C ATOM 688 O ASP A 51 36.168 18.441 34.241 1.00 20.00 O ATOM 689 CB ASP A 51 36.561 21.203 35.479 1.00 20.00 C ATOM 690 CG ASP A 51 37.424 22.339 36.036 1.00 20.00 C ATOM 691 OD1 ASP A 51 38.466 22.027 36.655 1.00 20.00 O ATOM 692 OD2 ASP A 51 37.046 23.512 35.820 1.00 20.00 O ATOM 0 H ASP A 51 36.757 22.530 33.461 1.00 20.00 H new ATOM 0 HA ASP A 51 38.114 20.161 34.374 1.00 20.00 H new ATOM 0 HB2 ASP A 51 35.553 21.571 35.290 1.00 20.00 H new ATOM 0 HB3 ASP A 51 36.477 20.412 36.224 1.00 20.00 H new ATOM 697 N ARG A 52 35.626 19.707 32.453 1.00 20.00 N ATOM 698 CA ARG A 52 34.915 18.673 31.700 1.00 20.00 C ATOM 699 C ARG A 52 35.918 17.743 30.986 1.00 20.00 C ATOM 700 O ARG A 52 37.092 18.083 30.826 1.00 20.00 O ATOM 701 CB ARG A 52 33.942 19.342 30.702 1.00 20.00 C ATOM 702 CG ARG A 52 32.478 18.883 30.795 1.00 20.00 C ATOM 703 CD ARG A 52 32.208 17.442 30.341 1.00 20.00 C ATOM 704 NE ARG A 52 32.432 16.464 31.417 1.00 20.00 N ATOM 705 CZ ARG A 52 32.433 15.131 31.282 1.00 20.00 C ATOM 706 NH1 ARG A 52 32.210 14.539 30.108 1.00 20.00 N ATOM 707 NH2 ARG A 52 32.681 14.373 32.347 1.00 20.00 N ATOM 0 H ARG A 52 35.600 20.620 31.999 1.00 20.00 H new ATOM 0 HA ARG A 52 34.332 18.056 32.383 1.00 20.00 H new ATOM 0 HB2 ARG A 52 33.977 20.421 30.856 1.00 20.00 H new ATOM 0 HB3 ARG A 52 34.300 19.153 29.690 1.00 20.00 H new ATOM 0 HG2 ARG A 52 32.147 18.988 31.828 1.00 20.00 H new ATOM 0 HG3 ARG A 52 31.866 19.556 30.194 1.00 20.00 H new ATOM 0 HD2 ARG A 52 31.180 17.362 29.989 1.00 20.00 H new ATOM 0 HD3 ARG A 52 32.854 17.203 29.496 1.00 20.00 H new ATOM 0 HE ARG A 52 32.602 16.835 32.352 1.00 20.00 H new ATOM 0 HH11 ARG A 52 32.032 15.104 29.278 1.00 20.00 H new ATOM 0 HH12 ARG A 52 32.218 13.521 30.040 1.00 20.00 H new ATOM 0 HH21 ARG A 52 32.867 14.808 33.251 1.00 20.00 H new ATOM 0 HH22 ARG A 52 32.685 13.357 32.260 1.00 20.00 H new ATOM 721 N GLN A 53 35.437 16.580 30.525 1.00 20.00 N ATOM 722 CA GLN A 53 36.210 15.563 29.813 1.00 20.00 C ATOM 723 C GLN A 53 35.810 15.567 28.336 1.00 20.00 C ATOM 724 O GLN A 53 34.733 15.092 27.975 1.00 20.00 O ATOM 725 CB GLN A 53 36.011 14.176 30.443 1.00 20.00 C ATOM 726 CG GLN A 53 36.535 14.098 31.883 1.00 20.00 C ATOM 727 CD GLN A 53 36.388 12.688 32.449 1.00 20.00 C ATOM 728 OE1 GLN A 53 35.305 12.290 32.869 1.00 20.00 O ATOM 729 NE2 GLN A 53 37.473 11.917 32.472 1.00 20.00 N ATOM 0 H GLN A 53 34.459 16.315 30.645 1.00 20.00 H new ATOM 0 HA GLN A 53 37.271 15.799 29.892 1.00 20.00 H new ATOM 0 HB2 GLN A 53 34.950 13.926 30.433 1.00 20.00 H new ATOM 0 HB3 GLN A 53 36.520 13.429 29.835 1.00 20.00 H new ATOM 0 HG2 GLN A 53 37.583 14.395 31.908 1.00 20.00 H new ATOM 0 HG3 GLN A 53 35.989 14.803 32.510 1.00 20.00 H new ATOM 0 HE21 GLN A 53 38.360 12.274 32.116 1.00 20.00 H new ATOM 0 HE22 GLN A 53 37.417 10.969 32.845 1.00 20.00 H new ATOM 738 N CYS A 54 36.682 16.140 27.499 1.00 20.00 N ATOM 739 CA CYS A 54 36.500 16.318 26.059 1.00 20.00 C ATOM 740 C CYS A 54 37.855 16.512 25.363 1.00 20.00 C ATOM 741 O CYS A 54 38.869 16.761 26.016 1.00 20.00 O ATOM 742 CB CYS A 54 35.615 17.550 25.826 1.00 20.00 C ATOM 743 SG CYS A 54 33.840 17.218 25.652 1.00 20.00 S ATOM 0 H CYS A 54 37.575 16.509 27.825 1.00 20.00 H new ATOM 0 HA CYS A 54 36.027 15.430 25.641 1.00 20.00 H new ATOM 0 HB2 CYS A 54 35.758 18.240 26.658 1.00 20.00 H new ATOM 0 HB3 CYS A 54 35.961 18.059 24.926 1.00 20.00 H new ATOM 748 N LYS A 55 37.857 16.431 24.024 1.00 20.00 N ATOM 749 CA LYS A 55 39.038 16.601 23.177 1.00 20.00 C ATOM 750 C LYS A 55 39.534 18.060 23.172 1.00 20.00 C ATOM 751 O LYS A 55 38.788 18.985 23.496 1.00 20.00 O ATOM 752 CB LYS A 55 38.678 16.101 21.765 1.00 20.00 C ATOM 753 CG LYS A 55 39.904 15.711 20.921 1.00 20.00 C ATOM 754 CD LYS A 55 39.467 14.959 19.658 1.00 20.00 C ATOM 755 CE LYS A 55 40.654 14.468 18.829 1.00 20.00 C ATOM 756 NZ LYS A 55 41.429 13.425 19.521 1.00 20.00 N ATOM 0 H LYS A 55 37.010 16.240 23.489 1.00 20.00 H new ATOM 0 HA LYS A 55 39.869 16.016 23.571 1.00 20.00 H new ATOM 0 HB2 LYS A 55 38.017 15.239 21.851 1.00 20.00 H new ATOM 0 HB3 LYS A 55 38.121 16.879 21.244 1.00 20.00 H new ATOM 0 HG2 LYS A 55 40.462 16.605 20.644 1.00 20.00 H new ATOM 0 HG3 LYS A 55 40.575 15.086 21.510 1.00 20.00 H new ATOM 0 HD2 LYS A 55 38.849 14.107 19.942 1.00 20.00 H new ATOM 0 HD3 LYS A 55 38.846 15.613 19.046 1.00 20.00 H new ATOM 0 HE2 LYS A 55 40.292 14.077 17.878 1.00 20.00 H new ATOM 0 HE3 LYS A 55 41.307 15.310 18.600 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 42.126 13.018 18.865 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 41.923 13.842 20.336 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 40.787 12.677 19.852 1.00 20.00 H new ATOM 770 N GLU A 56 40.799 18.257 22.781 1.00 20.00 N ATOM 771 CA GLU A 56 41.492 19.544 22.709 1.00 20.00 C ATOM 772 C GLU A 56 42.222 19.656 21.371 1.00 20.00 C ATOM 773 O GLU A 56 43.152 18.899 21.103 1.00 20.00 O ATOM 774 CB GLU A 56 42.468 19.698 23.886 1.00 20.00 C ATOM 775 CG GLU A 56 41.742 20.205 25.132 1.00 20.00 C ATOM 776 CD GLU A 56 42.654 20.207 26.358 1.00 20.00 C ATOM 777 OE1 GLU A 56 42.628 19.192 27.091 1.00 20.00 O ATOM 778 OE2 GLU A 56 43.366 21.215 26.553 1.00 20.00 O ATOM 0 H GLU A 56 41.395 17.482 22.492 1.00 20.00 H new ATOM 0 HA GLU A 56 40.762 20.350 22.778 1.00 20.00 H new ATOM 0 HB2 GLU A 56 42.940 18.739 24.100 1.00 20.00 H new ATOM 0 HB3 GLU A 56 43.264 20.392 23.616 1.00 20.00 H new ATOM 0 HG2 GLU A 56 41.373 21.215 24.952 1.00 20.00 H new ATOM 0 HG3 GLU A 56 40.872 19.577 25.327 1.00 20.00 H new ATOM 785 N LEU A 57 41.774 20.602 20.539 1.00 20.00 N ATOM 786 CA LEU A 57 42.223 20.820 19.171 1.00 20.00 C ATOM 787 C LEU A 57 42.425 22.315 18.912 1.00 20.00 C ATOM 788 O LEU A 57 41.464 23.064 18.760 1.00 20.00 O ATOM 789 CB LEU A 57 41.254 20.123 18.207 1.00 20.00 C ATOM 790 CG LEU A 57 39.769 20.558 18.269 1.00 20.00 C ATOM 791 CD1 LEU A 57 39.345 21.329 17.011 1.00 20.00 C ATOM 792 CD2 LEU A 57 38.845 19.344 18.449 1.00 20.00 C ATOM 0 H LEU A 57 41.053 21.266 20.821 1.00 20.00 H new ATOM 0 HA LEU A 57 43.200 20.369 18.999 1.00 20.00 H new ATOM 0 HB2 LEU A 57 41.612 20.284 17.190 1.00 20.00 H new ATOM 0 HB3 LEU A 57 41.301 19.050 18.395 1.00 20.00 H new ATOM 0 HG LEU A 57 39.675 21.219 19.131 1.00 20.00 H new ATOM 0 HD11 LEU A 57 38.297 21.615 17.096 1.00 20.00 H new ATOM 0 HD12 LEU A 57 39.958 22.224 16.909 1.00 20.00 H new ATOM 0 HD13 LEU A 57 39.478 20.696 16.134 1.00 20.00 H new ATOM 0 HD21 LEU A 57 37.808 19.679 18.489 1.00 20.00 H new ATOM 0 HD22 LEU A 57 38.974 18.661 17.609 1.00 20.00 H new ATOM 0 HD23 LEU A 57 39.097 18.830 19.376 1.00 20.00 H new ATOM 804 N GLN A 58 43.690 22.749 18.901 1.00 20.00 N ATOM 805 CA GLN A 58 44.136 24.142 18.805 1.00 20.00 C ATOM 806 C GLN A 58 43.696 24.843 17.500 1.00 20.00 C ATOM 807 O GLN A 58 43.764 26.067 17.416 1.00 20.00 O ATOM 808 CB GLN A 58 45.668 24.149 18.977 1.00 20.00 C ATOM 809 CG GLN A 58 46.251 25.508 19.385 1.00 20.00 C ATOM 810 CD GLN A 58 47.770 25.428 19.552 1.00 20.00 C ATOM 811 OE1 GLN A 58 48.505 25.346 18.570 1.00 20.00 O ATOM 812 NE2 GLN A 58 48.264 25.466 20.788 1.00 20.00 N ATOM 0 H GLN A 58 44.474 22.100 18.962 1.00 20.00 H new ATOM 0 HA GLN A 58 43.658 24.723 19.593 1.00 20.00 H new ATOM 0 HB2 GLN A 58 45.941 23.409 19.729 1.00 20.00 H new ATOM 0 HB3 GLN A 58 46.129 23.836 18.040 1.00 20.00 H new ATOM 0 HG2 GLN A 58 46.004 26.255 18.630 1.00 20.00 H new ATOM 0 HG3 GLN A 58 45.796 25.837 20.319 1.00 20.00 H new ATOM 0 HE21 GLN A 58 47.634 25.534 21.587 1.00 20.00 H new ATOM 0 HE22 GLN A 58 49.273 25.427 20.936 1.00 20.00 H new ATOM 821 N ALA A 59 43.198 24.089 16.509 1.00 20.00 N ATOM 822 CA ALA A 59 42.644 24.586 15.255 1.00 20.00 C ATOM 823 C ALA A 59 41.414 25.488 15.448 1.00 20.00 C ATOM 824 O ALA A 59 41.308 26.502 14.760 1.00 20.00 O ATOM 825 CB ALA A 59 42.288 23.373 14.393 1.00 20.00 C ATOM 0 H ALA A 59 43.172 23.071 16.569 1.00 20.00 H new ATOM 0 HA ALA A 59 43.393 25.213 14.771 1.00 20.00 H new ATOM 0 HB1 ALA A 59 41.870 23.711 13.445 1.00 20.00 H new ATOM 0 HB2 ALA A 59 43.186 22.785 14.204 1.00 20.00 H new ATOM 0 HB3 ALA A 59 41.554 22.758 14.915 1.00 20.00 H new ATOM 831 N GLU A 60 40.510 25.135 16.375 1.00 20.00 N ATOM 832 CA GLU A 60 39.241 25.832 16.619 1.00 20.00 C ATOM 833 C GLU A 60 39.164 26.367 18.047 1.00 20.00 C ATOM 834 O GLU A 60 38.665 27.471 18.266 1.00 20.00 O ATOM 835 CB GLU A 60 38.053 24.876 16.402 1.00 20.00 C ATOM 836 CG GLU A 60 37.979 24.300 14.985 1.00 20.00 C ATOM 837 CD GLU A 60 36.757 23.397 14.781 1.00 20.00 C ATOM 838 OE1 GLU A 60 36.964 22.268 14.284 1.00 20.00 O ATOM 839 OE2 GLU A 60 35.631 23.838 15.101 1.00 20.00 O ATOM 0 H GLU A 60 40.647 24.334 16.992 1.00 20.00 H new ATOM 0 HA GLU A 60 39.193 26.665 15.917 1.00 20.00 H new ATOM 0 HB2 GLU A 60 38.123 24.055 17.115 1.00 20.00 H new ATOM 0 HB3 GLU A 60 37.126 25.407 16.618 1.00 20.00 H new ATOM 0 HG2 GLU A 60 37.946 25.118 14.265 1.00 20.00 H new ATOM 0 HG3 GLU A 60 38.886 23.731 14.780 1.00 20.00 H new ATOM 846 N SER A 61 39.641 25.570 19.010 1.00 20.00 N ATOM 847 CA SER A 61 39.519 25.835 20.438 1.00 20.00 C ATOM 848 C SER A 61 40.388 27.007 20.932 1.00 20.00 C ATOM 849 O SER A 61 40.145 27.508 22.026 1.00 20.00 O ATOM 850 CB SER A 61 39.831 24.556 21.213 1.00 20.00 C ATOM 851 OG SER A 61 41.211 24.271 21.236 1.00 20.00 O ATOM 0 H SER A 61 40.135 24.701 18.806 1.00 20.00 H new ATOM 0 HA SER A 61 38.491 26.147 20.621 1.00 20.00 H new ATOM 0 HB2 SER A 61 39.465 24.654 22.235 1.00 20.00 H new ATOM 0 HB3 SER A 61 39.297 23.720 20.762 1.00 20.00 H new ATOM 0 HG SER A 61 41.519 24.219 22.165 1.00 20.00 H new ATOM 857 N ALA A 62 41.375 27.468 20.149 1.00 20.00 N ATOM 858 CA ALA A 62 42.291 28.550 20.523 1.00 20.00 C ATOM 859 C ALA A 62 41.626 29.935 20.655 1.00 20.00 C ATOM 860 O ALA A 62 42.277 30.862 21.133 1.00 20.00 O ATOM 861 CB ALA A 62 43.436 28.591 19.508 1.00 20.00 C ATOM 0 H ALA A 62 41.560 27.090 19.220 1.00 20.00 H new ATOM 0 HA ALA A 62 42.661 28.325 21.523 1.00 20.00 H new ATOM 0 HB1 ALA A 62 44.127 29.391 19.772 1.00 20.00 H new ATOM 0 HB2 ALA A 62 43.964 27.638 19.517 1.00 20.00 H new ATOM 0 HB3 ALA A 62 43.033 28.773 18.512 1.00 20.00 H new ATOM 867 N SER A 63 40.341 30.068 20.293 1.00 20.00 N ATOM 868 CA SER A 63 39.537 31.289 20.409 1.00 20.00 C ATOM 869 C SER A 63 38.393 31.180 21.443 1.00 20.00 C ATOM 870 O SER A 63 37.469 31.994 21.404 1.00 20.00 O ATOM 871 CB SER A 63 39.051 31.722 19.017 1.00 20.00 C ATOM 872 OG SER A 63 38.331 30.698 18.361 1.00 20.00 O ATOM 0 H SER A 63 39.813 29.292 19.894 1.00 20.00 H new ATOM 0 HA SER A 63 40.179 32.074 20.808 1.00 20.00 H new ATOM 0 HB2 SER A 63 38.418 32.604 19.113 1.00 20.00 H new ATOM 0 HB3 SER A 63 39.908 32.009 18.408 1.00 20.00 H new ATOM 0 HG SER A 63 38.039 31.015 17.481 1.00 20.00 H new ATOM 878 N CYS A 64 38.441 30.203 22.367 1.00 20.00 N ATOM 879 CA CYS A 64 37.494 30.057 23.475 1.00 20.00 C ATOM 880 C CYS A 64 37.634 31.208 24.484 1.00 20.00 C ATOM 881 O CYS A 64 36.873 32.170 24.408 1.00 20.00 O ATOM 882 CB CYS A 64 37.665 28.677 24.131 1.00 20.00 C ATOM 883 SG CYS A 64 36.923 27.303 23.202 1.00 20.00 S ATOM 0 H CYS A 64 39.159 29.478 22.359 1.00 20.00 H new ATOM 0 HA CYS A 64 36.478 30.116 23.084 1.00 20.00 H new ATOM 0 HB2 CYS A 64 38.729 28.479 24.259 1.00 20.00 H new ATOM 0 HB3 CYS A 64 37.224 28.705 25.127 1.00 20.00 H new ATOM 888 N GLY A 65 38.586 31.116 25.423 1.00 20.00 N ATOM 889 CA GLY A 65 38.842 32.113 26.464 1.00 20.00 C ATOM 890 C GLY A 65 38.492 31.651 27.883 1.00 20.00 C ATOM 891 O GLY A 65 39.136 32.101 28.830 1.00 20.00 O ATOM 0 H GLY A 65 39.218 30.318 25.478 1.00 20.00 H new ATOM 0 HA2 GLY A 65 39.896 32.389 26.434 1.00 20.00 H new ATOM 0 HA3 GLY A 65 38.270 33.013 26.237 1.00 20.00 H new ATOM 895 N LYS A 66 37.511 30.746 28.032 1.00 20.00 N ATOM 896 CA LYS A 66 37.139 30.101 29.293 1.00 20.00 C ATOM 897 C LYS A 66 36.897 28.591 29.141 1.00 20.00 C ATOM 898 O LYS A 66 36.029 28.018 29.802 1.00 20.00 O ATOM 899 CB LYS A 66 35.963 30.850 29.945 1.00 20.00 C ATOM 900 CG LYS A 66 34.643 30.790 29.152 1.00 20.00 C ATOM 901 CD LYS A 66 33.403 30.877 30.055 1.00 20.00 C ATOM 902 CE LYS A 66 33.261 32.201 30.813 1.00 20.00 C ATOM 903 NZ LYS A 66 33.037 33.340 29.908 1.00 20.00 N ATOM 0 H LYS A 66 36.938 30.435 27.248 1.00 20.00 H new ATOM 0 HA LYS A 66 37.987 30.171 29.974 1.00 20.00 H new ATOM 0 HB2 LYS A 66 35.793 30.437 30.939 1.00 20.00 H new ATOM 0 HB3 LYS A 66 36.244 31.895 30.078 1.00 20.00 H new ATOM 0 HG2 LYS A 66 34.620 31.607 28.431 1.00 20.00 H new ATOM 0 HG3 LYS A 66 34.608 29.861 28.583 1.00 20.00 H new ATOM 0 HD2 LYS A 66 32.513 30.725 29.444 1.00 20.00 H new ATOM 0 HD3 LYS A 66 33.437 30.061 30.777 1.00 20.00 H new ATOM 0 HE2 LYS A 66 32.430 32.128 31.515 1.00 20.00 H new ATOM 0 HE3 LYS A 66 34.161 32.379 31.402 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 32.930 34.211 30.466 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 33.849 33.438 29.266 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 32.173 33.177 29.352 1.00 20.00 H new ATOM 917 N GLY A 67 37.681 27.946 28.274 1.00 20.00 N ATOM 918 CA GLY A 67 37.565 26.523 27.989 1.00 20.00 C ATOM 919 C GLY A 67 38.753 25.956 27.224 1.00 20.00 C ATOM 920 O GLY A 67 39.238 24.887 27.580 1.00 20.00 O ATOM 0 H GLY A 67 38.422 28.407 27.746 1.00 20.00 H new ATOM 0 HA2 GLY A 67 37.456 25.981 28.928 1.00 20.00 H new ATOM 0 HA3 GLY A 67 36.656 26.349 27.413 1.00 20.00 H new ATOM 924 N GLN A 68 39.195 26.660 26.171 1.00 20.00 N ATOM 925 CA GLN A 68 40.208 26.288 25.164 1.00 20.00 C ATOM 926 C GLN A 68 40.218 24.829 24.692 1.00 20.00 C ATOM 927 O GLN A 68 41.229 24.300 24.227 1.00 20.00 O ATOM 928 CB GLN A 68 41.590 26.773 25.571 1.00 20.00 C ATOM 929 CG GLN A 68 42.037 26.041 26.833 1.00 20.00 C ATOM 930 CD GLN A 68 43.525 26.187 27.147 1.00 20.00 C ATOM 931 OE1 GLN A 68 44.183 25.211 27.497 1.00 20.00 O ATOM 932 NE2 GLN A 68 44.074 27.399 27.061 1.00 20.00 N ATOM 0 H GLN A 68 38.820 27.590 25.983 1.00 20.00 H new ATOM 0 HA GLN A 68 39.888 26.819 24.268 1.00 20.00 H new ATOM 0 HB2 GLN A 68 42.301 26.596 24.764 1.00 20.00 H new ATOM 0 HB3 GLN A 68 41.572 27.848 25.749 1.00 20.00 H new ATOM 0 HG2 GLN A 68 41.460 26.414 27.679 1.00 20.00 H new ATOM 0 HG3 GLN A 68 41.801 24.982 26.728 1.00 20.00 H new ATOM 0 HE21 GLN A 68 43.508 28.196 26.768 1.00 20.00 H new ATOM 0 HE22 GLN A 68 45.060 27.530 27.288 1.00 20.00 H new ATOM 941 N LYS A 69 39.054 24.210 24.804 1.00 20.00 N ATOM 942 CA LYS A 69 38.741 22.858 24.381 1.00 20.00 C ATOM 943 C LYS A 69 37.492 22.895 23.504 1.00 20.00 C ATOM 944 O LYS A 69 36.487 23.489 23.883 1.00 20.00 O ATOM 945 CB LYS A 69 38.615 21.916 25.588 1.00 20.00 C ATOM 946 CG LYS A 69 37.531 22.264 26.623 1.00 20.00 C ATOM 947 CD LYS A 69 37.782 21.670 28.008 1.00 20.00 C ATOM 948 CE LYS A 69 37.538 20.163 28.126 1.00 20.00 C ATOM 949 NZ LYS A 69 38.644 19.378 27.565 1.00 20.00 N ATOM 0 H LYS A 69 38.247 24.673 25.223 1.00 20.00 H new ATOM 0 HA LYS A 69 39.556 22.450 23.783 1.00 20.00 H new ATOM 0 HB2 LYS A 69 38.421 20.910 25.216 1.00 20.00 H new ATOM 0 HB3 LYS A 69 39.577 21.887 26.099 1.00 20.00 H new ATOM 0 HG2 LYS A 69 37.462 23.348 26.711 1.00 20.00 H new ATOM 0 HG3 LYS A 69 36.567 21.911 26.257 1.00 20.00 H new ATOM 0 HD2 LYS A 69 38.813 21.878 28.293 1.00 20.00 H new ATOM 0 HD3 LYS A 69 37.143 22.183 28.727 1.00 20.00 H new ATOM 0 HE2 LYS A 69 37.403 19.899 29.175 1.00 20.00 H new ATOM 0 HE3 LYS A 69 36.613 19.905 27.611 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 38.311 18.858 26.728 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 39.418 20.016 27.291 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 38.987 18.703 28.278 1.00 20.00 H new ATOM 963 N CYS A 70 37.567 22.269 22.326 1.00 20.00 N ATOM 964 CA CYS A 70 36.440 22.119 21.407 1.00 20.00 C ATOM 965 C CYS A 70 36.013 20.651 21.367 1.00 20.00 C ATOM 966 O CYS A 70 36.834 19.762 21.139 1.00 20.00 O ATOM 967 CB CYS A 70 36.788 22.645 20.009 1.00 20.00 C ATOM 968 SG CYS A 70 35.403 22.520 18.846 1.00 20.00 S ATOM 0 H CYS A 70 38.428 21.846 21.980 1.00 20.00 H new ATOM 0 HA CYS A 70 35.603 22.718 21.767 1.00 20.00 H new ATOM 0 HB2 CYS A 70 37.100 23.687 20.085 1.00 20.00 H new ATOM 0 HB3 CYS A 70 37.637 22.086 19.617 1.00 20.00 H new ATOM 0 HG CYS A 70 35.766 22.984 17.687 1.00 20.00 H new ATOM 973 N CYS A 71 34.713 20.421 21.582 1.00 20.00 N ATOM 974 CA CYS A 71 34.103 19.103 21.697 1.00 20.00 C ATOM 975 C CYS A 71 32.894 19.036 20.767 1.00 20.00 C ATOM 976 O CYS A 71 31.982 19.857 20.875 1.00 20.00 O ATOM 977 CB CYS A 71 33.737 18.857 23.160 1.00 20.00 C ATOM 978 SG CYS A 71 33.577 17.117 23.635 1.00 20.00 S ATOM 0 H CYS A 71 34.037 21.178 21.684 1.00 20.00 H new ATOM 0 HA CYS A 71 34.793 18.315 21.394 1.00 20.00 H new ATOM 0 HB2 CYS A 71 34.496 19.320 23.790 1.00 20.00 H new ATOM 0 HB3 CYS A 71 32.795 19.363 23.372 1.00 20.00 H new ATOM 983 N VAL A 72 32.925 18.083 19.825 1.00 20.00 N ATOM 984 CA VAL A 72 31.961 17.952 18.733 1.00 20.00 C ATOM 985 C VAL A 72 31.573 16.476 18.616 1.00 20.00 C ATOM 986 O VAL A 72 32.396 15.641 18.241 1.00 20.00 O ATOM 987 CB VAL A 72 32.542 18.509 17.412 1.00 20.00 C ATOM 988 CG1 VAL A 72 31.462 18.531 16.322 1.00 20.00 C ATOM 989 CG2 VAL A 72 33.090 19.938 17.563 1.00 20.00 C ATOM 0 H VAL A 72 33.646 17.361 19.805 1.00 20.00 H new ATOM 0 HA VAL A 72 31.068 18.540 18.943 1.00 20.00 H new ATOM 0 HB VAL A 72 33.363 17.847 17.137 1.00 20.00 H new ATOM 0 HG11 VAL A 72 31.885 18.925 15.398 1.00 20.00 H new ATOM 0 HG12 VAL A 72 31.097 17.518 16.151 1.00 20.00 H new ATOM 0 HG13 VAL A 72 30.635 19.165 16.642 1.00 20.00 H new ATOM 0 HG21 VAL A 72 33.485 20.279 16.606 1.00 20.00 H new ATOM 0 HG22 VAL A 72 32.288 20.603 17.882 1.00 20.00 H new ATOM 0 HG23 VAL A 72 33.886 19.946 18.308 1.00 20.00 H new