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 Set 1.1: A 58 GLN : amide:sc= 0 X(o=0.27,f=0.14) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -140:sc= 0.275 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -175:sc= 0.692 (180deg=0.675) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) 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 -34:sc= 0.0557 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 105:sc= 0.784 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.026) USER MOD Single : A 48 ASN : amide:sc= -0.0289 K(o=-0.029,f=-3.8!) USER MOD Single : A 53 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.18) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 140:sc= -0.0207 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.793 K(o=-0.79,f=-4.3!) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 12.552 37.819 25.505 1.00 20.00 N ATOM 18 CA GLU A 2 12.379 36.547 24.804 1.00 20.00 C ATOM 19 C GLU A 2 13.665 35.713 24.771 1.00 20.00 C ATOM 20 O GLU A 2 13.614 34.499 24.952 1.00 20.00 O ATOM 21 CB GLU A 2 11.864 36.820 23.383 1.00 20.00 C ATOM 22 CG GLU A 2 11.306 35.553 22.724 1.00 20.00 C ATOM 23 CD GLU A 2 10.090 34.980 23.452 1.00 20.00 C ATOM 24 OE1 GLU A 2 8.966 35.442 23.161 1.00 20.00 O ATOM 25 OE2 GLU A 2 10.293 34.065 24.280 1.00 20.00 O ATOM 0 HA GLU A 2 11.648 35.955 25.354 1.00 20.00 H new ATOM 0 HB2 GLU A 2 11.086 37.583 23.419 1.00 20.00 H new ATOM 0 HB3 GLU A 2 12.675 37.219 22.774 1.00 20.00 H new ATOM 0 HG2 GLU A 2 11.031 35.778 21.694 1.00 20.00 H new ATOM 0 HG3 GLU A 2 12.089 34.796 22.687 1.00 20.00 H new ATOM 32 N CYS A 3 14.814 36.370 24.572 1.00 20.00 N ATOM 33 CA CYS A 3 16.126 35.733 24.531 1.00 20.00 C ATOM 34 C CYS A 3 16.492 35.091 25.884 1.00 20.00 C ATOM 35 O CYS A 3 17.111 34.028 25.904 1.00 20.00 O ATOM 36 CB CYS A 3 17.144 36.791 24.090 1.00 20.00 C ATOM 37 SG CYS A 3 18.688 36.155 23.388 1.00 20.00 S ATOM 0 H CYS A 3 14.853 37.380 24.433 1.00 20.00 H new ATOM 0 HA CYS A 3 16.123 34.911 23.815 1.00 20.00 H new ATOM 0 HB2 CYS A 3 16.671 37.438 23.352 1.00 20.00 H new ATOM 0 HB3 CYS A 3 17.388 37.414 24.950 1.00 20.00 H new ATOM 42 N VAL A 4 16.059 35.701 27.000 1.00 20.00 N ATOM 43 CA VAL A 4 16.219 35.186 28.362 1.00 20.00 C ATOM 44 C VAL A 4 15.215 34.057 28.641 1.00 20.00 C ATOM 45 O VAL A 4 15.590 33.048 29.238 1.00 20.00 O ATOM 46 CB VAL A 4 16.053 36.334 29.387 1.00 20.00 C ATOM 47 CG1 VAL A 4 16.238 35.838 30.833 1.00 20.00 C ATOM 48 CG2 VAL A 4 17.056 37.475 29.144 1.00 20.00 C ATOM 0 H VAL A 4 15.572 36.597 26.973 1.00 20.00 H new ATOM 0 HA VAL A 4 17.223 34.773 28.461 1.00 20.00 H new ATOM 0 HB VAL A 4 15.038 36.706 29.250 1.00 20.00 H new ATOM 0 HG11 VAL A 4 16.114 36.673 31.523 1.00 20.00 H new ATOM 0 HG12 VAL A 4 15.494 35.072 31.053 1.00 20.00 H new ATOM 0 HG13 VAL A 4 17.237 35.417 30.948 1.00 20.00 H new ATOM 0 HG21 VAL A 4 16.903 38.258 29.886 1.00 20.00 H new ATOM 0 HG22 VAL A 4 18.072 37.090 29.227 1.00 20.00 H new ATOM 0 HG23 VAL A 4 16.904 37.886 28.146 1.00 20.00 H new ATOM 58 N SER A 5 13.953 34.225 28.210 1.00 20.00 N ATOM 59 CA SER A 5 12.843 33.298 28.427 1.00 20.00 C ATOM 60 C SER A 5 13.129 31.913 27.830 1.00 20.00 C ATOM 61 O SER A 5 12.914 30.902 28.500 1.00 20.00 O ATOM 62 CB SER A 5 11.567 33.902 27.823 1.00 20.00 C ATOM 63 OG SER A 5 10.459 33.053 28.023 1.00 20.00 O ATOM 0 H SER A 5 13.673 35.049 27.678 1.00 20.00 H new ATOM 0 HA SER A 5 12.711 33.154 29.499 1.00 20.00 H new ATOM 0 HB2 SER A 5 11.371 34.874 28.277 1.00 20.00 H new ATOM 0 HB3 SER A 5 11.711 34.072 26.756 1.00 20.00 H new ATOM 0 HG SER A 5 9.659 33.461 27.631 1.00 20.00 H new ATOM 69 N LYS A 6 13.650 31.884 26.594 1.00 20.00 N ATOM 70 CA LYS A 6 14.055 30.668 25.886 1.00 20.00 C ATOM 71 C LYS A 6 15.295 29.989 26.495 1.00 20.00 C ATOM 72 O LYS A 6 15.578 28.836 26.169 1.00 20.00 O ATOM 73 CB LYS A 6 14.319 31.023 24.413 1.00 20.00 C ATOM 74 CG LYS A 6 13.076 31.445 23.606 1.00 20.00 C ATOM 75 CD LYS A 6 12.189 30.242 23.238 1.00 20.00 C ATOM 76 CE LYS A 6 11.014 30.660 22.349 1.00 20.00 C ATOM 77 NZ LYS A 6 10.000 31.430 23.096 1.00 20.00 N ATOM 0 H LYS A 6 13.804 32.731 26.047 1.00 20.00 H new ATOM 0 HA LYS A 6 13.242 29.948 25.977 1.00 20.00 H new ATOM 0 HB2 LYS A 6 15.048 31.832 24.376 1.00 20.00 H new ATOM 0 HB3 LYS A 6 14.774 30.162 23.924 1.00 20.00 H new ATOM 0 HG2 LYS A 6 12.493 32.160 24.186 1.00 20.00 H new ATOM 0 HG3 LYS A 6 13.391 31.955 22.695 1.00 20.00 H new ATOM 0 HD2 LYS A 6 12.788 29.492 22.722 1.00 20.00 H new ATOM 0 HD3 LYS A 6 11.810 29.776 24.148 1.00 20.00 H new ATOM 0 HE2 LYS A 6 11.384 31.260 21.518 1.00 20.00 H new ATOM 0 HE3 LYS A 6 10.551 29.772 21.920 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 9.184 31.620 22.479 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 9.689 30.883 23.924 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 10.412 32.331 23.412 1.00 20.00 H new ATOM 91 N GLY A 7 16.021 30.677 27.393 1.00 20.00 N ATOM 92 CA GLY A 7 17.140 30.141 28.167 1.00 20.00 C ATOM 93 C GLY A 7 18.519 30.454 27.571 1.00 20.00 C ATOM 94 O GLY A 7 19.518 29.942 28.077 1.00 20.00 O ATOM 0 H GLY A 7 15.833 31.657 27.603 1.00 20.00 H new ATOM 0 HA2 GLY A 7 17.094 30.543 29.179 1.00 20.00 H new ATOM 0 HA3 GLY A 7 17.028 29.060 28.248 1.00 20.00 H new ATOM 98 N PHE A 8 18.577 31.263 26.502 1.00 20.00 N ATOM 99 CA PHE A 8 19.813 31.649 25.830 1.00 20.00 C ATOM 100 C PHE A 8 20.534 32.798 26.562 1.00 20.00 C ATOM 101 O PHE A 8 20.048 33.316 27.574 1.00 20.00 O ATOM 102 CB PHE A 8 19.487 32.019 24.376 1.00 20.00 C ATOM 103 CG PHE A 8 18.706 30.960 23.612 1.00 20.00 C ATOM 104 CD1 PHE A 8 17.480 31.286 23.000 1.00 20.00 C ATOM 105 CD2 PHE A 8 19.224 29.659 23.458 1.00 20.00 C ATOM 106 CE1 PHE A 8 16.796 30.331 22.224 1.00 20.00 C ATOM 107 CE2 PHE A 8 18.540 28.701 22.688 1.00 20.00 C ATOM 108 CZ PHE A 8 17.321 29.036 22.075 1.00 20.00 C ATOM 0 H PHE A 8 17.745 31.672 26.077 1.00 20.00 H new ATOM 0 HA PHE A 8 20.504 30.806 25.843 1.00 20.00 H new ATOM 0 HB2 PHE A 8 18.916 32.947 24.371 1.00 20.00 H new ATOM 0 HB3 PHE A 8 20.420 32.216 23.847 1.00 20.00 H new ATOM 0 HD1 PHE A 8 17.062 32.274 23.127 1.00 20.00 H new ATOM 0 HD2 PHE A 8 20.156 29.395 23.936 1.00 20.00 H new ATOM 0 HE1 PHE A 8 15.866 30.594 21.742 1.00 20.00 H new ATOM 0 HE2 PHE A 8 18.951 27.710 22.568 1.00 20.00 H new ATOM 0 HZ PHE A 8 16.789 28.300 21.491 1.00 20.00 H new ATOM 118 N GLY A 9 21.710 33.177 26.041 1.00 20.00 N ATOM 119 CA GLY A 9 22.612 34.165 26.627 1.00 20.00 C ATOM 120 C GLY A 9 22.721 35.427 25.772 1.00 20.00 C ATOM 121 O GLY A 9 22.157 35.511 24.677 1.00 20.00 O ATOM 0 H GLY A 9 22.067 32.787 25.169 1.00 20.00 H new ATOM 0 HA2 GLY A 9 22.258 34.432 27.623 1.00 20.00 H new ATOM 0 HA3 GLY A 9 23.601 33.724 26.748 1.00 20.00 H new ATOM 125 N CYS A 10 23.485 36.400 26.283 1.00 20.00 N ATOM 126 CA CYS A 10 23.770 37.671 25.625 1.00 20.00 C ATOM 127 C CYS A 10 25.276 37.960 25.657 1.00 20.00 C ATOM 128 O CYS A 10 25.745 38.838 26.384 1.00 20.00 O ATOM 129 CB CYS A 10 22.943 38.804 26.248 1.00 20.00 C ATOM 130 SG CYS A 10 21.147 38.607 26.188 1.00 20.00 S ATOM 0 H CYS A 10 23.934 36.317 27.195 1.00 20.00 H new ATOM 0 HA CYS A 10 23.474 37.605 24.578 1.00 20.00 H new ATOM 0 HB2 CYS A 10 23.241 38.912 27.291 1.00 20.00 H new ATOM 0 HB3 CYS A 10 23.203 39.735 25.744 1.00 20.00 H new ATOM 135 N LEU A 11 26.036 37.205 24.854 1.00 20.00 N ATOM 136 CA LEU A 11 27.472 37.391 24.645 1.00 20.00 C ATOM 137 C LEU A 11 27.711 38.617 23.742 1.00 20.00 C ATOM 138 O LEU A 11 26.818 39.005 22.987 1.00 20.00 O ATOM 139 CB LEU A 11 28.063 36.126 23.978 1.00 20.00 C ATOM 140 CG LEU A 11 28.385 34.947 24.921 1.00 20.00 C ATOM 141 CD1 LEU A 11 29.497 35.286 25.927 1.00 20.00 C ATOM 142 CD2 LEU A 11 27.157 34.409 25.668 1.00 20.00 C ATOM 0 H LEU A 11 25.655 36.426 24.317 1.00 20.00 H new ATOM 0 HA LEU A 11 27.961 37.555 25.606 1.00 20.00 H new ATOM 0 HB2 LEU A 11 27.360 35.778 23.221 1.00 20.00 H new ATOM 0 HB3 LEU A 11 28.978 36.409 23.458 1.00 20.00 H new ATOM 0 HG LEU A 11 28.741 34.157 24.260 1.00 20.00 H new ATOM 0 HD11 LEU A 11 29.685 34.423 26.566 1.00 20.00 H new ATOM 0 HD12 LEU A 11 30.409 35.544 25.388 1.00 20.00 H new ATOM 0 HD13 LEU A 11 29.187 36.132 26.541 1.00 20.00 H new ATOM 0 HD21 LEU A 11 27.456 33.582 26.312 1.00 20.00 H new ATOM 0 HD22 LEU A 11 26.723 35.204 26.275 1.00 20.00 H new ATOM 0 HD23 LEU A 11 26.418 34.058 24.948 1.00 20.00 H new ATOM 154 N PRO A 12 28.918 39.218 23.761 1.00 20.00 N ATOM 155 CA PRO A 12 29.278 40.282 22.825 1.00 20.00 C ATOM 156 C PRO A 12 29.433 39.724 21.406 1.00 20.00 C ATOM 157 O PRO A 12 29.641 38.525 21.210 1.00 20.00 O ATOM 158 CB PRO A 12 30.588 40.871 23.359 1.00 20.00 C ATOM 159 CG PRO A 12 31.236 39.680 24.063 1.00 20.00 C ATOM 160 CD PRO A 12 30.040 38.923 24.641 1.00 20.00 C ATOM 0 HA PRO A 12 28.507 41.050 22.757 1.00 20.00 H new ATOM 0 HB2 PRO A 12 31.216 41.255 22.555 1.00 20.00 H new ATOM 0 HB3 PRO A 12 30.409 41.698 24.046 1.00 20.00 H new ATOM 0 HG2 PRO A 12 31.806 39.063 23.368 1.00 20.00 H new ATOM 0 HG3 PRO A 12 31.926 40.000 24.844 1.00 20.00 H new ATOM 0 HD2 PRO A 12 30.237 37.851 24.678 1.00 20.00 H new ATOM 0 HD3 PRO A 12 29.831 39.244 25.662 1.00 20.00 H new ATOM 168 N GLN A 13 29.370 40.616 20.412 1.00 20.00 N ATOM 169 CA GLN A 13 29.570 40.285 19.004 1.00 20.00 C ATOM 170 C GLN A 13 31.004 39.798 18.730 1.00 20.00 C ATOM 171 O GLN A 13 31.219 39.094 17.748 1.00 20.00 O ATOM 172 CB GLN A 13 29.253 41.525 18.142 1.00 20.00 C ATOM 173 CG GLN A 13 27.753 41.871 18.180 1.00 20.00 C ATOM 174 CD GLN A 13 27.462 43.195 17.478 1.00 20.00 C ATOM 175 OE1 GLN A 13 27.319 43.245 16.260 1.00 20.00 O ATOM 176 NE2 GLN A 13 27.358 44.278 18.239 1.00 20.00 N ATOM 0 H GLN A 13 29.175 41.605 20.570 1.00 20.00 H new ATOM 0 HA GLN A 13 28.896 39.469 18.744 1.00 20.00 H new ATOM 0 HB2 GLN A 13 29.833 42.376 18.500 1.00 20.00 H new ATOM 0 HB3 GLN A 13 29.559 41.341 17.112 1.00 20.00 H new ATOM 0 HG2 GLN A 13 27.183 41.073 17.703 1.00 20.00 H new ATOM 0 HG3 GLN A 13 27.418 41.927 19.216 1.00 20.00 H new ATOM 0 HE21 GLN A 13 27.482 44.206 19.249 1.00 20.00 H new ATOM 0 HE22 GLN A 13 27.154 45.182 17.814 1.00 20.00 H new ATOM 185 N SER A 14 31.973 40.128 19.596 1.00 20.00 N ATOM 186 CA SER A 14 33.362 39.676 19.530 1.00 20.00 C ATOM 187 C SER A 14 33.557 38.189 19.870 1.00 20.00 C ATOM 188 O SER A 14 34.593 37.630 19.504 1.00 20.00 O ATOM 189 CB SER A 14 34.196 40.522 20.492 1.00 20.00 C ATOM 190 OG SER A 14 34.237 41.864 20.068 1.00 20.00 O ATOM 0 H SER A 14 31.799 40.742 20.392 1.00 20.00 H new ATOM 0 HA SER A 14 33.683 39.797 18.495 1.00 20.00 H new ATOM 0 HB2 SER A 14 33.772 40.465 21.495 1.00 20.00 H new ATOM 0 HB3 SER A 14 35.209 40.123 20.551 1.00 20.00 H new ATOM 0 HG SER A 14 34.774 42.390 20.697 1.00 20.00 H new ATOM 196 N ASP A 15 32.579 37.546 20.530 1.00 20.00 N ATOM 197 CA ASP A 15 32.650 36.151 20.966 1.00 20.00 C ATOM 198 C ASP A 15 31.569 35.302 20.293 1.00 20.00 C ATOM 199 O ASP A 15 31.886 34.215 19.806 1.00 20.00 O ATOM 200 CB ASP A 15 32.552 36.079 22.495 1.00 20.00 C ATOM 201 CG ASP A 15 33.851 36.510 23.174 1.00 20.00 C ATOM 202 OD1 ASP A 15 34.036 37.733 23.363 1.00 20.00 O ATOM 203 OD2 ASP A 15 34.659 35.607 23.481 1.00 20.00 O ATOM 0 H ASP A 15 31.699 37.997 20.778 1.00 20.00 H new ATOM 0 HA ASP A 15 33.612 35.738 20.662 1.00 20.00 H new ATOM 0 HB2 ASP A 15 31.736 36.716 22.836 1.00 20.00 H new ATOM 0 HB3 ASP A 15 32.307 35.060 22.795 1.00 20.00 H new ATOM 208 N CYS A 16 30.319 35.790 20.255 1.00 20.00 N ATOM 209 CA CYS A 16 29.211 35.112 19.599 1.00 20.00 C ATOM 210 C CYS A 16 29.432 35.066 18.072 1.00 20.00 C ATOM 211 O CYS A 16 29.510 36.127 17.441 1.00 20.00 O ATOM 212 CB CYS A 16 27.891 35.825 19.915 1.00 20.00 C ATOM 213 SG CYS A 16 26.446 34.857 19.393 1.00 20.00 S ATOM 0 H CYS A 16 30.056 36.676 20.686 1.00 20.00 H new ATOM 0 HA CYS A 16 29.162 34.090 19.976 1.00 20.00 H new ATOM 0 HB2 CYS A 16 27.831 36.016 20.986 1.00 20.00 H new ATOM 0 HB3 CYS A 16 27.876 36.795 19.417 1.00 20.00 H new ATOM 218 N PRO A 17 29.523 33.867 17.455 1.00 20.00 N ATOM 219 CA PRO A 17 29.636 33.716 16.003 1.00 20.00 C ATOM 220 C PRO A 17 28.305 34.067 15.321 1.00 20.00 C ATOM 221 O PRO A 17 27.255 34.080 15.963 1.00 20.00 O ATOM 222 CB PRO A 17 30.027 32.248 15.789 1.00 20.00 C ATOM 223 CG PRO A 17 29.309 31.538 16.936 1.00 20.00 C ATOM 224 CD PRO A 17 29.438 32.550 18.079 1.00 20.00 C ATOM 0 HA PRO A 17 30.375 34.387 15.565 1.00 20.00 H new ATOM 0 HB2 PRO A 17 29.700 31.880 14.817 1.00 20.00 H new ATOM 0 HB3 PRO A 17 31.107 32.105 15.837 1.00 20.00 H new ATOM 0 HG2 PRO A 17 28.267 31.327 16.695 1.00 20.00 H new ATOM 0 HG3 PRO A 17 29.778 30.585 17.182 1.00 20.00 H new ATOM 0 HD2 PRO A 17 28.579 32.492 18.748 1.00 20.00 H new ATOM 0 HD3 PRO A 17 30.325 32.347 18.680 1.00 20.00 H new ATOM 232 N GLN A 18 28.352 34.350 14.015 1.00 20.00 N ATOM 233 CA GLN A 18 27.249 34.980 13.274 1.00 20.00 C ATOM 234 C GLN A 18 26.095 34.018 12.964 1.00 20.00 C ATOM 235 O GLN A 18 24.997 34.457 12.623 1.00 20.00 O ATOM 236 CB GLN A 18 27.805 35.619 11.988 1.00 20.00 C ATOM 237 CG GLN A 18 28.652 36.869 12.307 1.00 20.00 C ATOM 238 CD GLN A 18 29.329 37.462 11.069 1.00 20.00 C ATOM 239 OE1 GLN A 18 28.667 37.742 10.073 1.00 20.00 O ATOM 240 NE2 GLN A 18 30.644 37.664 11.131 1.00 20.00 N ATOM 0 H GLN A 18 29.165 34.147 13.434 1.00 20.00 H new ATOM 0 HA GLN A 18 26.818 35.749 13.915 1.00 20.00 H new ATOM 0 HB2 GLN A 18 28.414 34.891 11.451 1.00 20.00 H new ATOM 0 HB3 GLN A 18 26.981 35.893 11.329 1.00 20.00 H new ATOM 0 HG2 GLN A 18 28.015 37.626 12.764 1.00 20.00 H new ATOM 0 HG3 GLN A 18 29.414 36.608 13.041 1.00 20.00 H new ATOM 0 HE21 GLN A 18 31.158 37.418 11.977 1.00 20.00 H new ATOM 0 HE22 GLN A 18 31.137 38.065 10.333 1.00 20.00 H new ATOM 249 N GLU A 19 26.341 32.720 13.139 1.00 20.00 N ATOM 250 CA GLU A 19 25.391 31.619 13.085 1.00 20.00 C ATOM 251 C GLU A 19 24.478 31.592 14.321 1.00 20.00 C ATOM 252 O GLU A 19 23.272 31.383 14.187 1.00 20.00 O ATOM 253 CB GLU A 19 26.152 30.285 12.925 1.00 20.00 C ATOM 254 CG GLU A 19 27.338 30.096 13.891 1.00 20.00 C ATOM 255 CD GLU A 19 28.075 28.772 13.685 1.00 20.00 C ATOM 256 OE1 GLU A 19 27.400 27.725 13.570 1.00 20.00 O ATOM 257 OE2 GLU A 19 29.324 28.816 13.661 1.00 20.00 O ATOM 0 H GLU A 19 27.285 32.390 13.338 1.00 20.00 H new ATOM 0 HA GLU A 19 24.744 31.765 12.220 1.00 20.00 H new ATOM 0 HB2 GLU A 19 25.450 29.463 13.069 1.00 20.00 H new ATOM 0 HB3 GLU A 19 26.521 30.214 11.902 1.00 20.00 H new ATOM 0 HG2 GLU A 19 28.040 30.920 13.760 1.00 20.00 H new ATOM 0 HG3 GLU A 19 26.974 30.147 14.917 1.00 20.00 H new ATOM 264 N ALA A 20 25.051 31.811 15.511 1.00 20.00 N ATOM 265 CA ALA A 20 24.371 31.731 16.801 1.00 20.00 C ATOM 266 C ALA A 20 23.523 32.973 17.125 1.00 20.00 C ATOM 267 O ALA A 20 22.772 32.937 18.100 1.00 20.00 O ATOM 268 CB ALA A 20 25.432 31.502 17.886 1.00 20.00 C ATOM 0 H ALA A 20 26.037 32.057 15.600 1.00 20.00 H new ATOM 0 HA ALA A 20 23.666 30.901 16.761 1.00 20.00 H new ATOM 0 HB1 ALA A 20 24.948 31.439 18.861 1.00 20.00 H new ATOM 0 HB2 ALA A 20 25.964 30.572 17.684 1.00 20.00 H new ATOM 0 HB3 ALA A 20 26.138 32.332 17.885 1.00 20.00 H new ATOM 274 N ARG A 21 23.634 34.052 16.332 1.00 20.00 N ATOM 275 CA ARG A 21 22.931 35.322 16.543 1.00 20.00 C ATOM 276 C ARG A 21 21.439 35.189 16.238 1.00 20.00 C ATOM 277 O ARG A 21 21.033 35.159 15.075 1.00 20.00 O ATOM 278 CB ARG A 21 23.569 36.445 15.709 1.00 20.00 C ATOM 279 CG ARG A 21 25.000 36.728 16.183 1.00 20.00 C ATOM 280 CD ARG A 21 25.654 37.837 15.367 1.00 20.00 C ATOM 281 NE ARG A 21 27.076 37.949 15.708 1.00 20.00 N ATOM 282 CZ ARG A 21 27.908 38.897 15.268 1.00 20.00 C ATOM 283 NH1 ARG A 21 27.490 39.904 14.499 1.00 20.00 N ATOM 284 NH2 ARG A 21 29.195 38.830 15.600 1.00 20.00 N ATOM 0 H ARG A 21 24.232 34.062 15.506 1.00 20.00 H new ATOM 0 HA ARG A 21 23.028 35.586 17.596 1.00 20.00 H new ATOM 0 HB2 ARG A 21 23.579 36.162 14.656 1.00 20.00 H new ATOM 0 HB3 ARG A 21 22.968 37.351 15.790 1.00 20.00 H new ATOM 0 HG2 ARG A 21 24.986 37.010 17.236 1.00 20.00 H new ATOM 0 HG3 ARG A 21 25.596 35.819 16.105 1.00 20.00 H new ATOM 0 HD2 ARG A 21 25.544 37.628 14.303 1.00 20.00 H new ATOM 0 HD3 ARG A 21 25.151 38.785 15.560 1.00 20.00 H new ATOM 0 HE ARG A 21 27.463 37.243 16.334 1.00 20.00 H new ATOM 0 HH11 ARG A 21 26.508 39.967 14.230 1.00 20.00 H new ATOM 0 HH12 ARG A 21 28.152 40.611 14.180 1.00 20.00 H new ATOM 0 HH21 ARG A 21 29.532 38.063 16.182 1.00 20.00 H new ATOM 0 HH22 ARG A 21 29.844 39.545 15.273 1.00 20.00 H new ATOM 298 N LEU A 22 20.630 35.097 17.299 1.00 20.00 N ATOM 299 CA LEU A 22 19.181 34.933 17.232 1.00 20.00 C ATOM 300 C LEU A 22 18.469 36.235 16.853 1.00 20.00 C ATOM 301 O LEU A 22 19.054 37.317 16.887 1.00 20.00 O ATOM 302 CB LEU A 22 18.657 34.428 18.588 1.00 20.00 C ATOM 303 CG LEU A 22 19.304 33.117 19.071 1.00 20.00 C ATOM 304 CD1 LEU A 22 18.858 32.830 20.504 1.00 20.00 C ATOM 305 CD2 LEU A 22 18.910 31.955 18.149 1.00 20.00 C ATOM 0 H LEU A 22 20.980 35.136 18.256 1.00 20.00 H new ATOM 0 HA LEU A 22 18.966 34.204 16.451 1.00 20.00 H new ATOM 0 HB2 LEU A 22 18.825 35.200 19.339 1.00 20.00 H new ATOM 0 HB3 LEU A 22 17.579 34.282 18.516 1.00 20.00 H new ATOM 0 HG LEU A 22 20.389 33.222 19.045 1.00 20.00 H new ATOM 0 HD11 LEU A 22 19.315 31.902 20.848 1.00 20.00 H new ATOM 0 HD12 LEU A 22 19.168 33.649 21.153 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.773 32.733 20.535 1.00 20.00 H new ATOM 0 HD21 LEU A 22 19.375 31.035 18.504 1.00 20.00 H new ATOM 0 HD22 LEU A 22 17.826 31.838 18.153 1.00 20.00 H new ATOM 0 HD23 LEU A 22 19.248 32.165 17.134 1.00 20.00 H new ATOM 317 N SER A 23 17.183 36.106 16.511 1.00 20.00 N ATOM 318 CA SER A 23 16.293 37.194 16.123 1.00 20.00 C ATOM 319 C SER A 23 15.594 37.851 17.328 1.00 20.00 C ATOM 320 O SER A 23 15.005 38.922 17.175 1.00 20.00 O ATOM 321 CB SER A 23 15.265 36.632 15.129 1.00 20.00 C ATOM 322 OG SER A 23 14.580 37.666 14.457 1.00 20.00 O ATOM 0 H SER A 23 16.718 35.198 16.498 1.00 20.00 H new ATOM 0 HA SER A 23 16.884 37.984 15.660 1.00 20.00 H new ATOM 0 HB2 SER A 23 15.770 35.996 14.402 1.00 20.00 H new ATOM 0 HB3 SER A 23 14.549 36.004 15.660 1.00 20.00 H new ATOM 0 HG SER A 23 14.464 38.429 15.062 1.00 20.00 H new ATOM 328 N TYR A 24 15.661 37.234 18.519 1.00 20.00 N ATOM 329 CA TYR A 24 15.060 37.736 19.751 1.00 20.00 C ATOM 330 C TYR A 24 15.784 38.990 20.274 1.00 20.00 C ATOM 331 O TYR A 24 16.864 39.352 19.797 1.00 20.00 O ATOM 332 CB TYR A 24 15.070 36.628 20.816 1.00 20.00 C ATOM 333 CG TYR A 24 14.460 35.309 20.377 1.00 20.00 C ATOM 334 CD1 TYR A 24 13.135 35.260 19.901 1.00 20.00 C ATOM 335 CD2 TYR A 24 15.226 34.131 20.437 1.00 20.00 C ATOM 336 CE1 TYR A 24 12.570 34.035 19.505 1.00 20.00 C ATOM 337 CE2 TYR A 24 14.678 32.906 20.017 1.00 20.00 C ATOM 338 CZ TYR A 24 13.341 32.851 19.562 1.00 20.00 C ATOM 339 OH TYR A 24 12.803 31.667 19.153 1.00 20.00 O ATOM 0 H TYR A 24 16.150 36.348 18.648 1.00 20.00 H new ATOM 0 HA TYR A 24 14.032 38.026 19.533 1.00 20.00 H new ATOM 0 HB2 TYR A 24 16.101 36.450 21.123 1.00 20.00 H new ATOM 0 HB3 TYR A 24 14.533 36.985 21.695 1.00 20.00 H new ATOM 0 HD1 TYR A 24 12.551 36.167 19.840 1.00 20.00 H new ATOM 0 HD2 TYR A 24 16.240 34.167 20.807 1.00 20.00 H new ATOM 0 HE1 TYR A 24 11.548 33.998 19.158 1.00 20.00 H new ATOM 0 HE2 TYR A 24 15.278 32.008 20.042 1.00 20.00 H new ATOM 0 HH TYR A 24 13.466 30.953 19.257 1.00 20.00 H new ATOM 349 N GLY A 25 15.178 39.630 21.284 1.00 20.00 N ATOM 350 CA GLY A 25 15.688 40.824 21.946 1.00 20.00 C ATOM 351 C GLY A 25 15.765 40.668 23.467 1.00 20.00 C ATOM 352 O GLY A 25 15.362 39.646 24.028 1.00 20.00 O ATOM 0 H GLY A 25 14.289 39.314 21.671 1.00 20.00 H new ATOM 0 HA2 GLY A 25 16.680 41.054 21.558 1.00 20.00 H new ATOM 0 HA3 GLY A 25 15.046 41.671 21.704 1.00 20.00 H new ATOM 356 N GLY A 26 16.271 41.718 24.124 1.00 20.00 N ATOM 357 CA GLY A 26 16.445 41.819 25.570 1.00 20.00 C ATOM 358 C GLY A 26 17.916 41.862 26.009 1.00 20.00 C ATOM 359 O GLY A 26 18.191 42.113 27.182 1.00 20.00 O ATOM 0 H GLY A 26 16.584 42.557 23.636 1.00 20.00 H new ATOM 0 HA2 GLY A 26 15.941 42.718 25.927 1.00 20.00 H new ATOM 0 HA3 GLY A 26 15.957 40.969 26.047 1.00 20.00 H new ATOM 363 N CYS A 27 18.856 41.628 25.081 1.00 20.00 N ATOM 364 CA CYS A 27 20.294 41.717 25.318 1.00 20.00 C ATOM 365 C CYS A 27 20.793 43.164 25.344 1.00 20.00 C ATOM 366 O CYS A 27 20.043 44.105 25.083 1.00 20.00 O ATOM 367 CB CYS A 27 21.027 40.909 24.239 1.00 20.00 C ATOM 368 SG CYS A 27 20.701 39.131 24.275 1.00 20.00 S ATOM 0 H CYS A 27 18.625 41.365 24.123 1.00 20.00 H new ATOM 0 HA CYS A 27 20.504 41.302 26.304 1.00 20.00 H new ATOM 0 HB2 CYS A 27 20.745 41.297 23.260 1.00 20.00 H new ATOM 0 HB3 CYS A 27 22.099 41.070 24.349 1.00 20.00 H new ATOM 373 N SER A 28 22.089 43.316 25.644 1.00 20.00 N ATOM 374 CA SER A 28 22.812 44.589 25.653 1.00 20.00 C ATOM 375 C SER A 28 23.894 44.644 24.563 1.00 20.00 C ATOM 376 O SER A 28 24.495 45.700 24.364 1.00 20.00 O ATOM 377 CB SER A 28 23.411 44.820 27.047 1.00 20.00 C ATOM 378 OG SER A 28 22.385 45.023 28.001 1.00 20.00 O ATOM 0 H SER A 28 22.682 42.526 25.896 1.00 20.00 H new ATOM 0 HA SER A 28 22.108 45.390 25.427 1.00 20.00 H new ATOM 0 HB2 SER A 28 24.018 43.962 27.335 1.00 20.00 H new ATOM 0 HB3 SER A 28 24.072 45.686 27.026 1.00 20.00 H new ATOM 0 HG SER A 28 22.784 45.167 28.885 1.00 20.00 H new ATOM 384 N THR A 29 24.115 43.536 23.836 1.00 20.00 N ATOM 385 CA THR A 29 25.068 43.407 22.732 1.00 20.00 C ATOM 386 C THR A 29 24.423 42.623 21.582 1.00 20.00 C ATOM 387 O THR A 29 24.095 43.223 20.560 1.00 20.00 O ATOM 388 CB THR A 29 26.397 42.778 23.205 1.00 20.00 C ATOM 389 OG1 THR A 29 26.175 41.619 23.979 1.00 20.00 O ATOM 390 CG2 THR A 29 27.233 43.761 24.038 1.00 20.00 C ATOM 0 H THR A 29 23.609 42.669 24.014 1.00 20.00 H new ATOM 0 HA THR A 29 25.320 44.400 22.360 1.00 20.00 H new ATOM 0 HB THR A 29 26.944 42.517 22.299 1.00 20.00 H new ATOM 0 HG1 THR A 29 26.379 40.824 23.443 1.00 20.00 H new ATOM 0 HG21 THR A 29 28.159 43.278 24.350 1.00 20.00 H new ATOM 0 HG22 THR A 29 27.467 44.640 23.437 1.00 20.00 H new ATOM 0 HG23 THR A 29 26.667 44.064 24.919 1.00 20.00 H new ATOM 398 N VAL A 30 24.230 41.304 21.752 1.00 20.00 N ATOM 399 CA VAL A 30 23.582 40.397 20.801 1.00 20.00 C ATOM 400 C VAL A 30 23.195 39.091 21.521 1.00 20.00 C ATOM 401 O VAL A 30 23.847 38.704 22.490 1.00 20.00 O ATOM 402 CB VAL A 30 24.522 40.146 19.588 1.00 20.00 C ATOM 403 CG1 VAL A 30 25.801 39.362 19.925 1.00 20.00 C ATOM 404 CG2 VAL A 30 23.807 39.451 18.428 1.00 20.00 C ATOM 0 H VAL A 30 24.537 40.823 22.597 1.00 20.00 H new ATOM 0 HA VAL A 30 22.667 40.846 20.414 1.00 20.00 H new ATOM 0 HB VAL A 30 24.822 41.150 19.287 1.00 20.00 H new ATOM 0 HG11 VAL A 30 26.397 39.233 19.022 1.00 20.00 H new ATOM 0 HG12 VAL A 30 26.380 39.912 20.666 1.00 20.00 H new ATOM 0 HG13 VAL A 30 25.533 38.384 20.326 1.00 20.00 H new ATOM 0 HG21 VAL A 30 24.508 39.299 17.607 1.00 20.00 H new ATOM 0 HG22 VAL A 30 23.425 38.486 18.762 1.00 20.00 H new ATOM 0 HG23 VAL A 30 22.978 40.071 18.087 1.00 20.00 H new ATOM 414 N CYS A 31 22.159 38.392 21.035 1.00 20.00 N ATOM 415 CA CYS A 31 21.793 37.049 21.494 1.00 20.00 C ATOM 416 C CYS A 31 22.808 35.994 21.037 1.00 20.00 C ATOM 417 O CYS A 31 23.493 36.173 20.031 1.00 20.00 O ATOM 418 CB CYS A 31 20.416 36.683 20.936 1.00 20.00 C ATOM 419 SG CYS A 31 18.994 37.400 21.794 1.00 20.00 S ATOM 0 H CYS A 31 21.546 38.750 20.303 1.00 20.00 H new ATOM 0 HA CYS A 31 21.780 37.061 22.584 1.00 20.00 H new ATOM 0 HB2 CYS A 31 20.377 36.990 19.891 1.00 20.00 H new ATOM 0 HB3 CYS A 31 20.316 35.598 20.954 1.00 20.00 H new ATOM 424 N CYS A 32 22.853 34.862 21.755 1.00 20.00 N ATOM 425 CA CYS A 32 23.666 33.704 21.402 1.00 20.00 C ATOM 426 C CYS A 32 23.038 32.424 21.968 1.00 20.00 C ATOM 427 O CYS A 32 22.884 32.311 23.186 1.00 20.00 O ATOM 428 CB CYS A 32 25.098 33.909 21.926 1.00 20.00 C ATOM 429 SG CYS A 32 26.370 33.347 20.768 1.00 20.00 S ATOM 0 H CYS A 32 22.314 34.730 22.611 1.00 20.00 H new ATOM 0 HA CYS A 32 23.707 33.598 20.318 1.00 20.00 H new ATOM 0 HB2 CYS A 32 25.252 34.967 22.139 1.00 20.00 H new ATOM 0 HB3 CYS A 32 25.213 33.374 22.869 1.00 20.00 H new ATOM 434 N ASP A 33 22.664 31.471 21.096 1.00 20.00 N ATOM 435 CA ASP A 33 22.055 30.196 21.486 1.00 20.00 C ATOM 436 C ASP A 33 23.057 29.244 22.155 1.00 20.00 C ATOM 437 O ASP A 33 23.707 28.444 21.489 1.00 20.00 O ATOM 438 CB ASP A 33 21.270 29.532 20.332 1.00 20.00 C ATOM 439 CG ASP A 33 21.952 29.450 18.956 1.00 20.00 C ATOM 440 OD1 ASP A 33 21.193 29.404 17.962 1.00 20.00 O ATOM 441 OD2 ASP A 33 23.198 29.397 18.890 1.00 20.00 O ATOM 0 H ASP A 33 22.780 31.570 20.087 1.00 20.00 H new ATOM 0 HA ASP A 33 21.314 30.434 22.249 1.00 20.00 H new ATOM 0 HB2 ASP A 33 21.015 28.518 20.640 1.00 20.00 H new ATOM 0 HB3 ASP A 33 20.332 30.074 20.209 1.00 20.00 H new ATOM 446 N LEU A 34 23.166 29.322 23.489 1.00 20.00 N ATOM 447 CA LEU A 34 24.160 28.603 24.286 1.00 20.00 C ATOM 448 C LEU A 34 24.034 27.081 24.155 1.00 20.00 C ATOM 449 O LEU A 34 25.056 26.398 24.116 1.00 20.00 O ATOM 450 CB LEU A 34 24.049 28.985 25.774 1.00 20.00 C ATOM 451 CG LEU A 34 24.016 30.493 26.087 1.00 20.00 C ATOM 452 CD1 LEU A 34 23.906 30.686 27.603 1.00 20.00 C ATOM 453 CD2 LEU A 34 25.246 31.241 25.557 1.00 20.00 C ATOM 0 H LEU A 34 22.547 29.903 24.055 1.00 20.00 H new ATOM 0 HA LEU A 34 25.133 28.899 23.894 1.00 20.00 H new ATOM 0 HB2 LEU A 34 23.144 28.531 26.178 1.00 20.00 H new ATOM 0 HB3 LEU A 34 24.892 28.543 26.305 1.00 20.00 H new ATOM 0 HG LEU A 34 23.149 30.915 25.578 1.00 20.00 H new ATOM 0 HD11 LEU A 34 23.882 31.751 27.833 1.00 20.00 H new ATOM 0 HD12 LEU A 34 22.991 30.216 27.964 1.00 20.00 H new ATOM 0 HD13 LEU A 34 24.766 30.228 28.091 1.00 20.00 H new ATOM 0 HD21 LEU A 34 25.165 32.299 25.808 1.00 20.00 H new ATOM 0 HD22 LEU A 34 26.147 30.828 26.011 1.00 20.00 H new ATOM 0 HD23 LEU A 34 25.302 31.129 24.474 1.00 20.00 H new ATOM 465 N SER A 35 22.801 26.558 24.074 1.00 20.00 N ATOM 466 CA SER A 35 22.505 25.134 23.945 1.00 20.00 C ATOM 467 C SER A 35 22.803 24.563 22.549 1.00 20.00 C ATOM 468 O SER A 35 22.704 23.349 22.371 1.00 20.00 O ATOM 469 CB SER A 35 21.046 24.877 24.351 1.00 20.00 C ATOM 470 OG SER A 35 20.135 25.457 23.437 1.00 20.00 O ATOM 0 H SER A 35 21.961 27.137 24.098 1.00 20.00 H new ATOM 0 HA SER A 35 23.177 24.604 24.620 1.00 20.00 H new ATOM 0 HB2 SER A 35 20.869 23.803 24.408 1.00 20.00 H new ATOM 0 HB3 SER A 35 20.869 25.283 25.347 1.00 20.00 H new ATOM 0 HG SER A 35 19.218 25.271 23.727 1.00 20.00 H new ATOM 476 N LYS A 36 23.182 25.407 21.575 1.00 20.00 N ATOM 477 CA LYS A 36 23.503 25.026 20.193 1.00 20.00 C ATOM 478 C LYS A 36 24.842 25.593 19.708 1.00 20.00 C ATOM 479 O LYS A 36 25.178 25.457 18.532 1.00 20.00 O ATOM 480 CB LYS A 36 22.361 25.451 19.244 1.00 20.00 C ATOM 481 CG LYS A 36 20.956 25.064 19.742 1.00 20.00 C ATOM 482 CD LYS A 36 19.909 25.064 18.624 1.00 20.00 C ATOM 483 CE LYS A 36 19.684 26.472 18.053 1.00 20.00 C ATOM 484 NZ LYS A 36 18.679 26.449 16.977 1.00 20.00 N ATOM 0 H LYS A 36 23.276 26.410 21.736 1.00 20.00 H new ATOM 0 HA LYS A 36 23.604 23.941 20.181 1.00 20.00 H new ATOM 0 HB2 LYS A 36 22.401 26.531 19.105 1.00 20.00 H new ATOM 0 HB3 LYS A 36 22.527 24.997 18.267 1.00 20.00 H new ATOM 0 HG2 LYS A 36 20.996 24.074 20.196 1.00 20.00 H new ATOM 0 HG3 LYS A 36 20.648 25.760 20.522 1.00 20.00 H new ATOM 0 HD2 LYS A 36 20.230 24.395 17.826 1.00 20.00 H new ATOM 0 HD3 LYS A 36 18.967 24.673 19.008 1.00 20.00 H new ATOM 0 HE2 LYS A 36 19.357 27.143 18.847 1.00 20.00 H new ATOM 0 HE3 LYS A 36 20.624 26.868 17.669 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 18.544 27.412 16.607 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 19.005 25.826 16.211 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 17.777 26.093 17.352 1.00 20.00 H new ATOM 577 N LYS A 43 32.918 28.579 26.394 1.00 20.00 N ATOM 578 CA LYS A 43 33.317 28.416 27.791 1.00 20.00 C ATOM 579 C LYS A 43 34.586 29.217 28.111 1.00 20.00 C ATOM 580 O LYS A 43 34.809 29.540 29.281 1.00 20.00 O ATOM 581 CB LYS A 43 33.550 26.914 28.058 1.00 20.00 C ATOM 582 CG LYS A 43 32.254 26.096 28.216 1.00 20.00 C ATOM 583 CD LYS A 43 31.539 26.370 29.555 1.00 20.00 C ATOM 584 CE LYS A 43 30.263 25.533 29.719 1.00 20.00 C ATOM 585 NZ LYS A 43 30.545 24.091 29.853 1.00 20.00 N ATOM 0 HA LYS A 43 32.525 28.798 28.436 1.00 20.00 H new ATOM 0 HB2 LYS A 43 34.133 26.496 27.237 1.00 20.00 H new ATOM 0 HB3 LYS A 43 34.149 26.805 28.962 1.00 20.00 H new ATOM 0 HG2 LYS A 43 31.579 26.330 27.393 1.00 20.00 H new ATOM 0 HG3 LYS A 43 32.488 25.034 28.144 1.00 20.00 H new ATOM 0 HD2 LYS A 43 32.220 26.154 30.378 1.00 20.00 H new ATOM 0 HD3 LYS A 43 31.287 27.428 29.619 1.00 20.00 H new ATOM 0 HE2 LYS A 43 29.718 25.876 30.598 1.00 20.00 H new ATOM 0 HE3 LYS A 43 29.614 25.694 28.858 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 29.660 23.581 30.046 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 30.965 23.736 28.970 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 31.210 23.939 30.638 1.00 20.00 H new ATOM 599 N GLY A 44 35.391 29.534 27.084 1.00 20.00 N ATOM 600 CA GLY A 44 36.667 30.222 27.222 1.00 20.00 C ATOM 601 C GLY A 44 37.752 29.224 27.622 1.00 20.00 C ATOM 602 O GLY A 44 38.245 29.265 28.750 1.00 20.00 O ATOM 0 H GLY A 44 35.160 29.310 26.116 1.00 20.00 H new ATOM 0 HA2 GLY A 44 36.933 30.706 26.282 1.00 20.00 H new ATOM 0 HA3 GLY A 44 36.588 31.008 27.973 1.00 20.00 H new ATOM 606 N GLY A 45 38.095 28.319 26.690 1.00 20.00 N ATOM 607 CA GLY A 45 39.029 27.224 26.918 1.00 20.00 C ATOM 608 C GLY A 45 40.476 27.682 27.112 1.00 20.00 C ATOM 609 O GLY A 45 40.835 28.819 26.798 1.00 20.00 O ATOM 0 H GLY A 45 37.719 28.336 25.742 1.00 20.00 H new ATOM 0 HA2 GLY A 45 38.713 26.665 27.799 1.00 20.00 H new ATOM 0 HA3 GLY A 45 38.984 26.538 26.072 1.00 20.00 H new ATOM 613 N GLU A 46 41.304 26.762 27.623 1.00 20.00 N ATOM 614 CA GLU A 46 42.722 26.985 27.900 1.00 20.00 C ATOM 615 C GLU A 46 43.588 26.714 26.661 1.00 20.00 C ATOM 616 O GLU A 46 43.124 26.122 25.685 1.00 20.00 O ATOM 617 CB GLU A 46 43.167 26.144 29.114 1.00 20.00 C ATOM 618 CG GLU A 46 43.069 24.619 28.942 1.00 20.00 C ATOM 619 CD GLU A 46 41.635 24.090 29.008 1.00 20.00 C ATOM 620 OE1 GLU A 46 41.159 23.582 27.971 1.00 20.00 O ATOM 621 OE2 GLU A 46 41.024 24.207 30.093 1.00 20.00 O ATOM 0 H GLU A 46 40.995 25.819 27.860 1.00 20.00 H new ATOM 0 HA GLU A 46 42.863 28.036 28.152 1.00 20.00 H new ATOM 0 HB2 GLU A 46 44.200 26.399 29.350 1.00 20.00 H new ATOM 0 HB3 GLU A 46 42.563 26.434 29.974 1.00 20.00 H new ATOM 0 HG2 GLU A 46 43.507 24.340 27.984 1.00 20.00 H new ATOM 0 HG3 GLU A 46 43.663 24.135 29.717 1.00 20.00 H new ATOM 628 N CYS A 47 44.864 27.116 26.723 1.00 20.00 N ATOM 629 CA CYS A 47 45.855 26.856 25.693 1.00 20.00 C ATOM 630 C CYS A 47 46.921 25.896 26.215 1.00 20.00 C ATOM 631 O CYS A 47 47.762 26.262 27.040 1.00 20.00 O ATOM 632 CB CYS A 47 46.453 28.158 25.163 1.00 20.00 C ATOM 633 SG CYS A 47 45.295 29.103 24.145 1.00 20.00 S ATOM 0 H CYS A 47 45.236 27.643 27.513 1.00 20.00 H new ATOM 0 HA CYS A 47 45.365 26.373 24.847 1.00 20.00 H new ATOM 0 HB2 CYS A 47 46.775 28.773 26.004 1.00 20.00 H new ATOM 0 HB3 CYS A 47 47.343 27.930 24.576 1.00 20.00 H new ATOM 638 N ASN A 48 46.857 24.664 25.701 1.00 20.00 N ATOM 639 CA ASN A 48 47.756 23.555 25.975 1.00 20.00 C ATOM 640 C ASN A 48 48.251 22.956 24.644 1.00 20.00 C ATOM 641 O ASN A 48 47.612 23.156 23.610 1.00 20.00 O ATOM 642 CB ASN A 48 47.012 22.532 26.851 1.00 20.00 C ATOM 643 CG ASN A 48 47.069 22.919 28.329 1.00 20.00 C ATOM 644 OD1 ASN A 48 47.889 22.404 29.080 1.00 20.00 O ATOM 645 ND2 ASN A 48 46.206 23.832 28.767 1.00 20.00 N ATOM 0 H ASN A 48 46.125 24.405 25.040 1.00 20.00 H new ATOM 0 HA ASN A 48 48.640 23.884 26.521 1.00 20.00 H new ATOM 0 HB2 ASN A 48 45.972 22.464 26.531 1.00 20.00 H new ATOM 0 HB3 ASN A 48 47.453 21.545 26.714 1.00 20.00 H new ATOM 0 HD21 ASN A 48 46.218 24.117 29.746 1.00 20.00 H new ATOM 0 HD22 ASN A 48 45.532 24.247 28.123 1.00 20.00 H new ATOM 652 N PRO A 49 49.386 22.228 24.649 1.00 20.00 N ATOM 653 CA PRO A 49 50.040 21.760 23.427 1.00 20.00 C ATOM 654 C PRO A 49 49.242 20.671 22.697 1.00 20.00 C ATOM 655 O PRO A 49 48.283 20.107 23.229 1.00 20.00 O ATOM 656 CB PRO A 49 51.414 21.246 23.895 1.00 20.00 C ATOM 657 CG PRO A 49 51.166 20.817 25.348 1.00 20.00 C ATOM 658 CD PRO A 49 50.180 21.882 25.822 1.00 20.00 C ATOM 0 HA PRO A 49 50.123 22.561 22.692 1.00 20.00 H new ATOM 0 HB2 PRO A 49 51.759 20.412 23.284 1.00 20.00 H new ATOM 0 HB3 PRO A 49 52.175 22.023 23.831 1.00 20.00 H new ATOM 0 HG2 PRO A 49 50.746 19.813 25.412 1.00 20.00 H new ATOM 0 HG3 PRO A 49 52.083 20.817 25.937 1.00 20.00 H new ATOM 0 HD2 PRO A 49 49.548 21.502 26.625 1.00 20.00 H new ATOM 0 HD3 PRO A 49 50.703 22.755 26.213 1.00 20.00 H new ATOM 666 N LEU A 50 49.705 20.352 21.481 1.00 20.00 N ATOM 667 CA LEU A 50 49.258 19.202 20.694 1.00 20.00 C ATOM 668 C LEU A 50 49.372 17.881 21.468 1.00 20.00 C ATOM 669 O LEU A 50 48.518 17.009 21.332 1.00 20.00 O ATOM 670 CB LEU A 50 50.147 19.125 19.442 1.00 20.00 C ATOM 671 CG LEU A 50 49.831 20.174 18.338 1.00 20.00 C ATOM 672 CD1 LEU A 50 51.025 20.295 17.394 1.00 20.00 C ATOM 673 CD2 LEU A 50 48.580 19.750 17.542 1.00 20.00 C ATOM 0 H LEU A 50 50.420 20.904 21.007 1.00 20.00 H new ATOM 0 HA LEU A 50 48.206 19.339 20.444 1.00 20.00 H new ATOM 0 HB2 LEU A 50 51.187 19.244 19.747 1.00 20.00 H new ATOM 0 HB3 LEU A 50 50.054 18.128 19.011 1.00 20.00 H new ATOM 0 HG LEU A 50 49.638 21.138 18.808 1.00 20.00 H new ATOM 0 HD11 LEU A 50 50.804 21.030 16.620 1.00 20.00 H new ATOM 0 HD12 LEU A 50 51.903 20.613 17.957 1.00 20.00 H new ATOM 0 HD13 LEU A 50 51.222 19.328 16.931 1.00 20.00 H new ATOM 0 HD21 LEU A 50 48.369 20.493 16.772 1.00 20.00 H new ATOM 0 HD22 LEU A 50 48.758 18.782 17.073 1.00 20.00 H new ATOM 0 HD23 LEU A 50 47.727 19.675 18.217 1.00 20.00 H new ATOM 685 N ASP A 51 50.417 17.749 22.296 1.00 20.00 N ATOM 686 CA ASP A 51 50.759 16.547 23.059 1.00 20.00 C ATOM 687 C ASP A 51 49.920 16.370 24.350 1.00 20.00 C ATOM 688 O ASP A 51 50.157 15.440 25.122 1.00 20.00 O ATOM 689 CB ASP A 51 52.272 16.602 23.363 1.00 20.00 C ATOM 690 CG ASP A 51 52.912 15.253 23.734 1.00 20.00 C ATOM 691 OD1 ASP A 51 54.056 15.303 24.253 1.00 20.00 O ATOM 692 OD2 ASP A 51 52.316 14.193 23.459 1.00 20.00 O ATOM 0 H ASP A 51 51.074 18.512 22.457 1.00 20.00 H new ATOM 0 HA ASP A 51 50.517 15.670 22.458 1.00 20.00 H new ATOM 0 HB2 ASP A 51 52.788 17.004 22.491 1.00 20.00 H new ATOM 0 HB3 ASP A 51 52.437 17.302 24.182 1.00 20.00 H new ATOM 697 N ARG A 52 48.923 17.241 24.594 1.00 20.00 N ATOM 698 CA ARG A 52 48.001 17.175 25.738 1.00 20.00 C ATOM 699 C ARG A 52 47.099 15.918 25.734 1.00 20.00 C ATOM 700 O ARG A 52 46.495 15.611 26.761 1.00 20.00 O ATOM 701 CB ARG A 52 47.186 18.483 25.755 1.00 20.00 C ATOM 702 CG ARG A 52 46.168 18.639 26.895 1.00 20.00 C ATOM 703 CD ARG A 52 46.743 18.440 28.308 1.00 20.00 C ATOM 704 NE ARG A 52 47.831 19.383 28.615 1.00 20.00 N ATOM 705 CZ ARG A 52 48.943 19.137 29.328 1.00 20.00 C ATOM 706 NH1 ARG A 52 49.187 17.945 29.877 1.00 20.00 N ATOM 707 NH2 ARG A 52 49.827 20.116 29.507 1.00 20.00 N ATOM 0 H ARG A 52 48.733 18.033 23.980 1.00 20.00 H new ATOM 0 HA ARG A 52 48.580 17.078 26.656 1.00 20.00 H new ATOM 0 HB2 ARG A 52 47.883 19.319 25.803 1.00 20.00 H new ATOM 0 HB3 ARG A 52 46.653 18.566 24.808 1.00 20.00 H new ATOM 0 HG2 ARG A 52 45.727 19.634 26.835 1.00 20.00 H new ATOM 0 HG3 ARG A 52 45.361 17.922 26.743 1.00 20.00 H new ATOM 0 HD2 ARG A 52 45.945 18.560 29.041 1.00 20.00 H new ATOM 0 HD3 ARG A 52 47.114 17.420 28.405 1.00 20.00 H new ATOM 0 HE ARG A 52 47.729 20.328 28.245 1.00 20.00 H new ATOM 0 HH11 ARG A 52 48.518 17.184 29.762 1.00 20.00 H new ATOM 0 HH12 ARG A 52 50.043 17.795 30.412 1.00 20.00 H new ATOM 0 HH21 ARG A 52 49.656 21.038 29.105 1.00 20.00 H new ATOM 0 HH22 ARG A 52 50.676 19.944 30.046 1.00 20.00 H new ATOM 721 N GLN A 53 47.028 15.176 24.617 1.00 20.00 N ATOM 722 CA GLN A 53 46.296 13.917 24.437 1.00 20.00 C ATOM 723 C GLN A 53 44.767 14.112 24.383 1.00 20.00 C ATOM 724 O GLN A 53 44.025 13.144 24.222 1.00 20.00 O ATOM 725 CB GLN A 53 46.776 12.897 25.492 1.00 20.00 C ATOM 726 CG GLN A 53 46.868 11.429 25.021 1.00 20.00 C ATOM 727 CD GLN A 53 45.530 10.689 25.011 1.00 20.00 C ATOM 728 OE1 GLN A 53 44.841 10.644 26.027 1.00 20.00 O ATOM 729 NE2 GLN A 53 45.170 10.080 23.885 1.00 20.00 N ATOM 0 H GLN A 53 47.511 15.459 23.764 1.00 20.00 H new ATOM 0 HA GLN A 53 46.527 13.505 23.455 1.00 20.00 H new ATOM 0 HB2 GLN A 53 47.759 13.206 25.847 1.00 20.00 H new ATOM 0 HB3 GLN A 53 46.100 12.942 26.346 1.00 20.00 H new ATOM 0 HG2 GLN A 53 47.290 11.407 24.016 1.00 20.00 H new ATOM 0 HG3 GLN A 53 47.562 10.894 25.670 1.00 20.00 H new ATOM 0 HE21 GLN A 53 45.767 10.139 23.060 1.00 20.00 H new ATOM 0 HE22 GLN A 53 44.297 9.554 23.846 1.00 20.00 H new ATOM 738 N CYS A 54 44.293 15.363 24.446 1.00 20.00 N ATOM 739 CA CYS A 54 42.923 15.784 24.165 1.00 20.00 C ATOM 740 C CYS A 54 42.531 15.460 22.708 1.00 20.00 C ATOM 741 O CYS A 54 43.397 15.171 21.877 1.00 20.00 O ATOM 742 CB CYS A 54 42.793 17.284 24.480 1.00 20.00 C ATOM 743 SG CYS A 54 41.536 17.664 25.715 1.00 20.00 S ATOM 0 H CYS A 54 44.890 16.147 24.709 1.00 20.00 H new ATOM 0 HA CYS A 54 42.229 15.232 24.798 1.00 20.00 H new ATOM 0 HB2 CYS A 54 43.756 17.657 24.829 1.00 20.00 H new ATOM 0 HB3 CYS A 54 42.558 17.820 23.560 1.00 20.00 H new ATOM 748 N LYS A 55 41.224 15.525 22.405 1.00 20.00 N ATOM 749 CA LYS A 55 40.661 15.097 21.126 1.00 20.00 C ATOM 750 C LYS A 55 39.581 16.074 20.657 1.00 20.00 C ATOM 751 O LYS A 55 38.411 15.926 21.009 1.00 20.00 O ATOM 752 CB LYS A 55 40.156 13.651 21.254 1.00 20.00 C ATOM 753 CG LYS A 55 39.833 13.048 19.878 1.00 20.00 C ATOM 754 CD LYS A 55 39.062 11.732 20.024 1.00 20.00 C ATOM 755 CE LYS A 55 38.725 11.156 18.645 1.00 20.00 C ATOM 756 NZ LYS A 55 37.927 9.926 18.767 1.00 20.00 N ATOM 0 H LYS A 55 40.524 15.882 23.055 1.00 20.00 H new ATOM 0 HA LYS A 55 41.430 15.108 20.354 1.00 20.00 H new ATOM 0 HB2 LYS A 55 40.911 13.043 21.752 1.00 20.00 H new ATOM 0 HB3 LYS A 55 39.265 13.629 21.881 1.00 20.00 H new ATOM 0 HG2 LYS A 55 39.244 13.756 19.296 1.00 20.00 H new ATOM 0 HG3 LYS A 55 40.757 12.873 19.327 1.00 20.00 H new ATOM 0 HD2 LYS A 55 39.657 11.015 20.589 1.00 20.00 H new ATOM 0 HD3 LYS A 55 38.145 11.901 20.589 1.00 20.00 H new ATOM 0 HE2 LYS A 55 38.174 11.895 18.063 1.00 20.00 H new ATOM 0 HE3 LYS A 55 39.645 10.944 18.101 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 37.712 9.556 17.819 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 38.465 9.215 19.302 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 37.039 10.136 19.266 1.00 20.00 H new ATOM 770 N GLU A 56 39.982 17.069 19.860 1.00 20.00 N ATOM 771 CA GLU A 56 39.103 18.039 19.209 1.00 20.00 C ATOM 772 C GLU A 56 39.778 18.597 17.944 1.00 20.00 C ATOM 773 O GLU A 56 40.852 18.133 17.544 1.00 20.00 O ATOM 774 CB GLU A 56 38.753 19.156 20.216 1.00 20.00 C ATOM 775 CG GLU A 56 37.328 19.714 20.080 1.00 20.00 C ATOM 776 CD GLU A 56 36.278 18.701 20.530 1.00 20.00 C ATOM 777 OE1 GLU A 56 35.739 17.997 19.662 1.00 20.00 O ATOM 778 OE2 GLU A 56 36.024 18.656 21.763 1.00 20.00 O ATOM 0 H GLU A 56 40.967 17.225 19.644 1.00 20.00 H new ATOM 0 HA GLU A 56 38.177 17.558 18.895 1.00 20.00 H new ATOM 0 HB2 GLU A 56 38.883 18.770 21.227 1.00 20.00 H new ATOM 0 HB3 GLU A 56 39.463 19.974 20.093 1.00 20.00 H new ATOM 0 HG2 GLU A 56 37.235 20.623 20.675 1.00 20.00 H new ATOM 0 HG3 GLU A 56 37.144 19.992 19.042 1.00 20.00 H new ATOM 785 N LEU A 57 39.138 19.595 17.326 1.00 20.00 N ATOM 786 CA LEU A 57 39.645 20.333 16.171 1.00 20.00 C ATOM 787 C LEU A 57 41.017 20.966 16.420 1.00 20.00 C ATOM 788 O LEU A 57 41.373 21.289 17.553 1.00 20.00 O ATOM 789 CB LEU A 57 38.582 21.374 15.765 1.00 20.00 C ATOM 790 CG LEU A 57 38.471 22.627 16.681 1.00 20.00 C ATOM 791 CD1 LEU A 57 39.246 23.809 16.086 1.00 20.00 C ATOM 792 CD2 LEU A 57 37.003 23.030 16.873 1.00 20.00 C ATOM 0 H LEU A 57 38.220 19.921 17.629 1.00 20.00 H new ATOM 0 HA LEU A 57 39.812 19.637 15.349 1.00 20.00 H new ATOM 0 HB2 LEU A 57 38.798 21.708 14.750 1.00 20.00 H new ATOM 0 HB3 LEU A 57 37.610 20.881 15.738 1.00 20.00 H new ATOM 0 HG LEU A 57 38.903 22.368 17.648 1.00 20.00 H new ATOM 0 HD11 LEU A 57 39.153 24.673 16.744 1.00 20.00 H new ATOM 0 HD12 LEU A 57 40.298 23.541 15.985 1.00 20.00 H new ATOM 0 HD13 LEU A 57 38.838 24.055 15.105 1.00 20.00 H new ATOM 0 HD21 LEU A 57 36.948 23.908 17.517 1.00 20.00 H new ATOM 0 HD22 LEU A 57 36.560 23.262 15.905 1.00 20.00 H new ATOM 0 HD23 LEU A 57 36.457 22.207 17.335 1.00 20.00 H new ATOM 804 N GLN A 58 41.766 21.137 15.327 1.00 20.00 N ATOM 805 CA GLN A 58 43.175 21.549 15.337 1.00 20.00 C ATOM 806 C GLN A 58 43.457 22.698 14.351 1.00 20.00 C ATOM 807 O GLN A 58 44.607 23.123 14.214 1.00 20.00 O ATOM 808 CB GLN A 58 44.069 20.325 15.041 1.00 20.00 C ATOM 809 CG GLN A 58 43.836 19.156 16.026 1.00 20.00 C ATOM 810 CD GLN A 58 44.783 17.975 15.811 1.00 20.00 C ATOM 811 OE1 GLN A 58 45.989 18.146 15.658 1.00 20.00 O ATOM 812 NE2 GLN A 58 44.242 16.759 15.828 1.00 20.00 N ATOM 0 H GLN A 58 41.401 20.989 14.386 1.00 20.00 H new ATOM 0 HA GLN A 58 43.409 21.936 16.329 1.00 20.00 H new ATOM 0 HB2 GLN A 58 43.879 19.980 14.025 1.00 20.00 H new ATOM 0 HB3 GLN A 58 45.115 20.627 15.085 1.00 20.00 H new ATOM 0 HG2 GLN A 58 43.952 19.523 17.046 1.00 20.00 H new ATOM 0 HG3 GLN A 58 42.808 18.809 15.927 1.00 20.00 H new ATOM 0 HE21 GLN A 58 43.236 16.650 15.957 1.00 20.00 H new ATOM 0 HE22 GLN A 58 44.833 15.936 15.712 1.00 20.00 H new ATOM 821 N ALA A 59 42.417 23.200 13.668 1.00 20.00 N ATOM 822 CA ALA A 59 42.495 24.286 12.701 1.00 20.00 C ATOM 823 C ALA A 59 42.516 25.655 13.411 1.00 20.00 C ATOM 824 O ALA A 59 43.578 26.267 13.538 1.00 20.00 O ATOM 825 CB ALA A 59 41.329 24.154 11.711 1.00 20.00 C ATOM 0 H ALA A 59 41.469 22.843 13.784 1.00 20.00 H new ATOM 0 HA ALA A 59 43.428 24.221 12.141 1.00 20.00 H new ATOM 0 HB1 ALA A 59 41.378 24.963 10.982 1.00 20.00 H new ATOM 0 HB2 ALA A 59 41.396 23.196 11.195 1.00 20.00 H new ATOM 0 HB3 ALA A 59 40.384 24.209 12.252 1.00 20.00 H new ATOM 831 N GLU A 60 41.347 26.138 13.864 1.00 20.00 N ATOM 832 CA GLU A 60 41.164 27.462 14.468 1.00 20.00 C ATOM 833 C GLU A 60 41.842 27.579 15.837 1.00 20.00 C ATOM 834 O GLU A 60 42.338 28.649 16.191 1.00 20.00 O ATOM 835 CB GLU A 60 39.667 27.765 14.621 1.00 20.00 C ATOM 836 CG GLU A 60 38.936 27.753 13.267 1.00 20.00 C ATOM 837 CD GLU A 60 37.464 28.188 13.343 1.00 20.00 C ATOM 838 OE1 GLU A 60 36.774 28.031 12.311 1.00 20.00 O ATOM 839 OE2 GLU A 60 37.021 28.644 14.421 1.00 20.00 O ATOM 0 H GLU A 60 40.481 25.601 13.817 1.00 20.00 H new ATOM 0 HA GLU A 60 41.633 28.185 13.800 1.00 20.00 H new ATOM 0 HB2 GLU A 60 39.214 27.028 15.284 1.00 20.00 H new ATOM 0 HB3 GLU A 60 39.541 28.739 15.093 1.00 20.00 H new ATOM 0 HG2 GLU A 60 39.463 28.411 12.576 1.00 20.00 H new ATOM 0 HG3 GLU A 60 38.985 26.748 12.849 1.00 20.00 H new ATOM 846 N SER A 61 41.876 26.468 16.583 1.00 20.00 N ATOM 847 CA SER A 61 42.501 26.358 17.896 1.00 20.00 C ATOM 848 C SER A 61 44.015 26.621 17.844 1.00 20.00 C ATOM 849 O SER A 61 44.558 27.144 18.813 1.00 20.00 O ATOM 850 CB SER A 61 42.216 24.981 18.502 1.00 20.00 C ATOM 851 OG SER A 61 40.856 24.853 18.836 1.00 20.00 O ATOM 0 H SER A 61 41.453 25.593 16.273 1.00 20.00 H new ATOM 0 HA SER A 61 42.064 27.128 18.531 1.00 20.00 H new ATOM 0 HB2 SER A 61 42.496 24.202 17.793 1.00 20.00 H new ATOM 0 HB3 SER A 61 42.829 24.837 19.392 1.00 20.00 H new ATOM 0 HG SER A 61 40.546 23.952 18.606 1.00 20.00 H new ATOM 857 N ALA A 62 44.701 26.293 16.731 1.00 20.00 N ATOM 858 CA ALA A 62 46.164 26.343 16.617 1.00 20.00 C ATOM 859 C ALA A 62 46.770 27.753 16.691 1.00 20.00 C ATOM 860 O ALA A 62 47.989 27.874 16.822 1.00 20.00 O ATOM 861 CB ALA A 62 46.589 25.647 15.325 1.00 20.00 C ATOM 0 H ALA A 62 44.242 25.981 15.875 1.00 20.00 H new ATOM 0 HA ALA A 62 46.557 25.823 17.491 1.00 20.00 H new ATOM 0 HB1 ALA A 62 47.675 25.680 15.234 1.00 20.00 H new ATOM 0 HB2 ALA A 62 46.258 24.609 15.345 1.00 20.00 H new ATOM 0 HB3 ALA A 62 46.138 26.155 14.473 1.00 20.00 H new ATOM 867 N SER A 63 45.932 28.796 16.648 1.00 20.00 N ATOM 868 CA SER A 63 46.315 30.203 16.758 1.00 20.00 C ATOM 869 C SER A 63 47.055 30.555 18.061 1.00 20.00 C ATOM 870 O SER A 63 47.695 31.606 18.116 1.00 20.00 O ATOM 871 CB SER A 63 45.020 31.033 16.616 1.00 20.00 C ATOM 872 OG SER A 63 45.267 32.432 16.507 1.00 20.00 O ATOM 0 H SER A 63 44.926 28.674 16.530 1.00 20.00 H new ATOM 0 HA SER A 63 47.033 30.430 15.970 1.00 20.00 H new ATOM 0 HB2 SER A 63 44.473 30.696 15.735 1.00 20.00 H new ATOM 0 HB3 SER A 63 44.380 30.848 17.479 1.00 20.00 H new ATOM 0 HG SER A 63 44.415 32.909 16.418 1.00 20.00 H new ATOM 878 N CYS A 64 46.990 29.697 19.095 1.00 20.00 N ATOM 879 CA CYS A 64 47.589 29.965 20.404 1.00 20.00 C ATOM 880 C CYS A 64 49.110 29.709 20.468 1.00 20.00 C ATOM 881 O CYS A 64 49.758 30.229 21.378 1.00 20.00 O ATOM 882 CB CYS A 64 46.852 29.177 21.498 1.00 20.00 C ATOM 883 SG CYS A 64 46.509 30.213 22.952 1.00 20.00 S ATOM 0 H CYS A 64 46.517 28.795 19.040 1.00 20.00 H new ATOM 0 HA CYS A 64 47.469 31.034 20.578 1.00 20.00 H new ATOM 0 HB2 CYS A 64 45.915 28.788 21.099 1.00 20.00 H new ATOM 0 HB3 CYS A 64 47.453 28.318 21.796 1.00 20.00 H new ATOM 888 N GLY A 65 49.681 28.955 19.510 1.00 20.00 N ATOM 889 CA GLY A 65 51.122 28.780 19.359 1.00 20.00 C ATOM 890 C GLY A 65 51.512 27.336 19.025 1.00 20.00 C ATOM 891 O GLY A 65 51.779 27.031 17.867 1.00 20.00 O ATOM 0 H GLY A 65 49.138 28.446 18.813 1.00 20.00 H new ATOM 0 HA2 GLY A 65 51.483 29.441 18.571 1.00 20.00 H new ATOM 0 HA3 GLY A 65 51.619 29.082 20.281 1.00 20.00 H new ATOM 895 N LYS A 66 51.578 26.470 20.054 1.00 20.00 N ATOM 896 CA LYS A 66 52.065 25.086 19.989 1.00 20.00 C ATOM 897 C LYS A 66 51.002 24.127 19.418 1.00 20.00 C ATOM 898 O LYS A 66 50.580 23.181 20.080 1.00 20.00 O ATOM 899 CB LYS A 66 52.539 24.648 21.395 1.00 20.00 C ATOM 900 CG LYS A 66 53.748 25.426 21.939 1.00 20.00 C ATOM 901 CD LYS A 66 55.037 25.135 21.157 1.00 20.00 C ATOM 902 CE LYS A 66 56.231 25.849 21.799 1.00 20.00 C ATOM 903 NZ LYS A 66 57.475 25.571 21.064 1.00 20.00 N ATOM 0 H LYS A 66 51.279 26.731 20.994 1.00 20.00 H new ATOM 0 HA LYS A 66 52.909 25.042 19.301 1.00 20.00 H new ATOM 0 HB2 LYS A 66 51.709 24.758 22.093 1.00 20.00 H new ATOM 0 HB3 LYS A 66 52.791 23.588 21.364 1.00 20.00 H new ATOM 0 HG2 LYS A 66 53.536 26.494 21.899 1.00 20.00 H new ATOM 0 HG3 LYS A 66 53.898 25.170 22.988 1.00 20.00 H new ATOM 0 HD2 LYS A 66 55.219 24.061 21.133 1.00 20.00 H new ATOM 0 HD3 LYS A 66 54.923 25.462 20.124 1.00 20.00 H new ATOM 0 HE2 LYS A 66 56.049 26.923 21.817 1.00 20.00 H new ATOM 0 HE3 LYS A 66 56.337 25.526 22.835 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 58.267 26.067 21.521 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 57.659 24.547 21.068 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 57.380 25.902 20.083 1.00 20.00 H new ATOM 917 N GLY A 67 50.571 24.398 18.172 1.00 20.00 N ATOM 918 CA GLY A 67 49.545 23.738 17.374 1.00 20.00 C ATOM 919 C GLY A 67 48.213 23.511 18.095 1.00 20.00 C ATOM 920 O GLY A 67 47.501 22.570 17.739 1.00 20.00 O ATOM 0 H GLY A 67 50.985 25.171 17.652 1.00 20.00 H new ATOM 0 HA2 GLY A 67 49.361 24.335 16.481 1.00 20.00 H new ATOM 0 HA3 GLY A 67 49.929 22.774 17.040 1.00 20.00 H new ATOM 924 N GLN A 68 47.937 24.323 19.122 1.00 20.00 N ATOM 925 CA GLN A 68 46.933 24.146 20.171 1.00 20.00 C ATOM 926 C GLN A 68 45.607 23.614 19.634 1.00 20.00 C ATOM 927 O GLN A 68 45.175 23.928 18.529 1.00 20.00 O ATOM 928 CB GLN A 68 46.760 25.463 20.944 1.00 20.00 C ATOM 929 CG GLN A 68 45.834 25.342 22.178 1.00 20.00 C ATOM 930 CD GLN A 68 44.438 25.952 22.017 1.00 20.00 C ATOM 931 OE1 GLN A 68 44.295 27.126 21.701 1.00 20.00 O ATOM 932 NE2 GLN A 68 43.384 25.184 22.298 1.00 20.00 N ATOM 0 H GLN A 68 48.455 25.193 19.249 1.00 20.00 H new ATOM 0 HA GLN A 68 47.292 23.381 20.859 1.00 20.00 H new ATOM 0 HB2 GLN A 68 47.739 25.815 21.269 1.00 20.00 H new ATOM 0 HB3 GLN A 68 46.357 26.219 20.271 1.00 20.00 H new ATOM 0 HG2 GLN A 68 45.724 24.286 22.426 1.00 20.00 H new ATOM 0 HG3 GLN A 68 46.324 25.819 23.027 1.00 20.00 H new ATOM 0 HE21 GLN A 68 43.520 24.208 22.560 1.00 20.00 H new ATOM 0 HE22 GLN A 68 42.442 25.573 22.251 1.00 20.00 H new ATOM 941 N LYS A 69 44.957 22.799 20.469 1.00 20.00 N ATOM 942 CA LYS A 69 43.715 22.126 20.160 1.00 20.00 C ATOM 943 C LYS A 69 42.762 22.241 21.340 1.00 20.00 C ATOM 944 O LYS A 69 43.165 22.059 22.488 1.00 20.00 O ATOM 945 CB LYS A 69 43.974 20.678 19.719 1.00 20.00 C ATOM 946 CG LYS A 69 44.703 19.786 20.740 1.00 20.00 C ATOM 947 CD LYS A 69 45.083 18.420 20.153 1.00 20.00 C ATOM 948 CE LYS A 69 43.855 17.617 19.688 1.00 20.00 C ATOM 949 NZ LYS A 69 44.257 16.293 19.186 1.00 20.00 N ATOM 0 H LYS A 69 45.301 22.590 21.406 1.00 20.00 H new ATOM 0 HA LYS A 69 43.231 22.611 19.312 1.00 20.00 H new ATOM 0 HB2 LYS A 69 43.017 20.215 19.479 1.00 20.00 H new ATOM 0 HB3 LYS A 69 44.559 20.697 18.799 1.00 20.00 H new ATOM 0 HG2 LYS A 69 45.604 20.294 21.085 1.00 20.00 H new ATOM 0 HG3 LYS A 69 44.065 19.640 21.612 1.00 20.00 H new ATOM 0 HD2 LYS A 69 45.759 18.565 19.310 1.00 20.00 H new ATOM 0 HD3 LYS A 69 45.627 17.845 20.902 1.00 20.00 H new ATOM 0 HE2 LYS A 69 43.156 17.500 20.516 1.00 20.00 H new ATOM 0 HE3 LYS A 69 43.332 18.165 18.904 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 43.697 16.057 18.342 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 45.267 16.308 18.938 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 44.092 15.578 19.923 1.00 20.00 H new ATOM 963 N CYS A 70 41.509 22.599 21.027 1.00 20.00 N ATOM 964 CA CYS A 70 40.452 22.794 22.012 1.00 20.00 C ATOM 965 C CYS A 70 40.340 21.580 22.945 1.00 20.00 C ATOM 966 O CYS A 70 40.341 20.429 22.506 1.00 20.00 O ATOM 967 CB CYS A 70 39.133 23.089 21.299 1.00 20.00 C ATOM 968 SG CYS A 70 37.829 23.602 22.447 1.00 20.00 S ATOM 0 H CYS A 70 41.204 22.762 20.068 1.00 20.00 H new ATOM 0 HA CYS A 70 40.699 23.651 22.638 1.00 20.00 H new ATOM 0 HB2 CYS A 70 39.291 23.873 20.558 1.00 20.00 H new ATOM 0 HB3 CYS A 70 38.808 22.200 20.758 1.00 20.00 H new ATOM 0 HG CYS A 70 36.736 23.840 21.784 1.00 20.00 H new ATOM 973 N CYS A 71 40.286 21.854 24.251 1.00 20.00 N ATOM 974 CA CYS A 71 40.365 20.863 25.317 1.00 20.00 C ATOM 975 C CYS A 71 39.365 21.168 26.447 1.00 20.00 C ATOM 976 O CYS A 71 39.513 20.686 27.569 1.00 20.00 O ATOM 977 CB CYS A 71 41.827 20.775 25.774 1.00 20.00 C ATOM 978 SG CYS A 71 42.245 19.290 26.739 1.00 20.00 S ATOM 0 H CYS A 71 40.182 22.806 24.603 1.00 20.00 H new ATOM 0 HA CYS A 71 40.066 19.879 24.956 1.00 20.00 H new ATOM 0 HB2 CYS A 71 42.469 20.811 24.894 1.00 20.00 H new ATOM 0 HB3 CYS A 71 42.058 21.656 26.373 1.00 20.00 H new ATOM 983 N VAL A 72 38.324 21.954 26.144 1.00 20.00 N ATOM 984 CA VAL A 72 37.175 22.201 27.017 1.00 20.00 C ATOM 985 C VAL A 72 36.455 20.879 27.314 1.00 20.00 C ATOM 986 O VAL A 72 36.277 20.064 26.412 1.00 20.00 O ATOM 987 CB VAL A 72 36.241 23.230 26.347 1.00 20.00 C ATOM 988 CG1 VAL A 72 34.961 23.464 27.161 1.00 20.00 C ATOM 989 CG2 VAL A 72 36.941 24.585 26.163 1.00 20.00 C ATOM 0 H VAL A 72 38.259 22.450 25.255 1.00 20.00 H new ATOM 0 HA VAL A 72 37.505 22.615 27.970 1.00 20.00 H new ATOM 0 HB VAL A 72 35.980 22.808 25.377 1.00 20.00 H new ATOM 0 HG11 VAL A 72 34.334 24.196 26.651 1.00 20.00 H new ATOM 0 HG12 VAL A 72 34.416 22.525 27.260 1.00 20.00 H new ATOM 0 HG13 VAL A 72 35.223 23.838 28.151 1.00 20.00 H new ATOM 0 HG21 VAL A 72 36.256 25.287 25.688 1.00 20.00 H new ATOM 0 HG22 VAL A 72 37.243 24.974 27.136 1.00 20.00 H new ATOM 0 HG23 VAL A 72 37.822 24.457 25.534 1.00 20.00 H new