USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 20 LYS NZ :NH3+ -168:sc= 1.54 (180deg=1.22) USER MOD Set 1.2: A 88 THR OG1 : rot -89:sc= 1.48 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 160:sc= 0.00804 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.102) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 79 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00587) USER MOD Single : A 80 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.019) USER MOD Single : A 84 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 87 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 90 GLN : amide:sc= -0.192 X(o=-0.19,f=-0.091) USER MOD Single : A 93 HIS : no HD1:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 154:sc= 1.22 (180deg=0.32) USER MOD ----------------------------------------------------------------- ATOM 44 N ASP A 12 25.923 38.407 19.127 1.00 0.00 N ATOM 45 CA ASP A 12 26.902 38.555 18.095 1.00 0.00 C ATOM 46 C ASP A 12 27.724 37.318 17.988 1.00 0.00 C ATOM 47 O ASP A 12 28.004 36.664 18.991 1.00 0.00 O ATOM 48 CB ASP A 12 27.757 39.787 18.441 1.00 0.00 C ATOM 49 CG ASP A 12 28.473 40.413 17.253 1.00 0.00 C ATOM 50 OD1 ASP A 12 28.121 40.141 16.074 1.00 0.00 O ATOM 51 OD2 ASP A 12 29.381 41.249 17.504 1.00 0.00 O ATOM 0 HA ASP A 12 26.432 38.704 17.123 1.00 0.00 H new ATOM 0 HB2 ASP A 12 27.117 40.540 18.901 1.00 0.00 H new ATOM 0 HB3 ASP A 12 28.499 39.501 19.186 1.00 0.00 H new ATOM 56 N THR A 13 28.125 36.909 16.770 1.00 0.00 N ATOM 57 CA THR A 13 28.974 35.777 16.567 1.00 0.00 C ATOM 58 C THR A 13 30.395 36.183 16.377 1.00 0.00 C ATOM 59 O THR A 13 30.697 37.288 15.927 1.00 0.00 O ATOM 60 CB THR A 13 28.616 34.889 15.411 1.00 0.00 C ATOM 61 OG1 THR A 13 28.388 35.619 14.215 1.00 0.00 O ATOM 62 CG2 THR A 13 27.327 34.105 15.711 1.00 0.00 C ATOM 0 H THR A 13 27.852 37.377 15.906 1.00 0.00 H new ATOM 0 HA THR A 13 28.827 35.204 17.483 1.00 0.00 H new ATOM 0 HB THR A 13 29.467 34.222 15.274 1.00 0.00 H new ATOM 0 HG1 THR A 13 28.160 34.999 13.491 1.00 0.00 H new ATOM 0 HG21 THR A 13 27.083 33.467 14.862 1.00 0.00 H new ATOM 0 HG22 THR A 13 27.474 33.488 16.598 1.00 0.00 H new ATOM 0 HG23 THR A 13 26.509 34.803 15.886 1.00 0.00 H new ATOM 70 N PHE A 14 31.332 35.266 16.672 1.00 0.00 N ATOM 71 CA PHE A 14 32.731 35.498 16.485 1.00 0.00 C ATOM 72 C PHE A 14 33.382 34.218 16.086 1.00 0.00 C ATOM 73 O PHE A 14 33.159 33.160 16.669 1.00 0.00 O ATOM 74 CB PHE A 14 33.504 36.035 17.702 1.00 0.00 C ATOM 75 CG PHE A 14 32.655 36.645 18.763 1.00 0.00 C ATOM 76 CD1 PHE A 14 32.272 37.965 18.710 1.00 0.00 C ATOM 77 CD2 PHE A 14 32.265 35.883 19.839 1.00 0.00 C ATOM 78 CE1 PHE A 14 31.514 38.510 19.719 1.00 0.00 C ATOM 79 CE2 PHE A 14 31.505 36.414 20.853 1.00 0.00 C ATOM 80 CZ PHE A 14 31.142 37.739 20.796 1.00 0.00 C ATOM 0 H PHE A 14 31.114 34.343 17.049 1.00 0.00 H new ATOM 0 HA PHE A 14 32.776 36.278 15.725 1.00 0.00 H new ATOM 0 HB2 PHE A 14 34.077 35.218 18.140 1.00 0.00 H new ATOM 0 HB3 PHE A 14 34.222 36.779 17.359 1.00 0.00 H new ATOM 0 HD1 PHE A 14 32.569 38.577 17.871 1.00 0.00 H new ATOM 0 HD2 PHE A 14 32.562 34.846 19.888 1.00 0.00 H new ATOM 0 HE1 PHE A 14 31.210 39.545 19.666 1.00 0.00 H new ATOM 0 HE2 PHE A 14 31.196 35.798 21.685 1.00 0.00 H new ATOM 0 HZ PHE A 14 30.564 38.175 21.598 1.00 0.00 H new ATOM 90 N GLU A 15 34.235 34.278 15.047 1.00 0.00 N ATOM 91 CA GLU A 15 35.111 33.225 14.634 1.00 0.00 C ATOM 92 C GLU A 15 36.392 33.325 15.387 1.00 0.00 C ATOM 93 O GLU A 15 36.956 34.405 15.562 1.00 0.00 O ATOM 94 CB GLU A 15 35.369 33.302 13.120 1.00 0.00 C ATOM 95 CG GLU A 15 34.111 33.030 12.292 1.00 0.00 C ATOM 96 CD GLU A 15 34.198 33.589 10.879 1.00 0.00 C ATOM 97 OE1 GLU A 15 34.231 34.840 10.734 1.00 0.00 O ATOM 98 OE2 GLU A 15 34.184 32.796 9.900 1.00 0.00 O ATOM 0 H GLU A 15 34.317 35.110 14.462 1.00 0.00 H new ATOM 0 HA GLU A 15 34.643 32.264 14.848 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.756 34.290 12.871 1.00 0.00 H new ATOM 0 HB3 GLU A 15 36.140 32.580 12.850 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.941 31.955 12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.249 33.466 12.797 1.00 0.00 H new ATOM 105 N VAL A 16 36.874 32.185 15.915 1.00 0.00 N ATOM 106 CA VAL A 16 37.960 32.109 16.842 1.00 0.00 C ATOM 107 C VAL A 16 38.974 31.159 16.302 1.00 0.00 C ATOM 108 O VAL A 16 38.777 29.945 16.322 1.00 0.00 O ATOM 109 CB VAL A 16 37.439 31.682 18.182 1.00 0.00 C ATOM 110 CG1 VAL A 16 38.536 31.213 19.155 1.00 0.00 C ATOM 111 CG2 VAL A 16 36.657 32.835 18.832 1.00 0.00 C ATOM 0 H VAL A 16 36.486 31.271 15.683 1.00 0.00 H new ATOM 0 HA VAL A 16 38.437 33.080 16.973 1.00 0.00 H new ATOM 0 HB VAL A 16 36.792 30.825 17.993 1.00 0.00 H new ATOM 0 HG11 VAL A 16 38.082 30.921 20.102 1.00 0.00 H new ATOM 0 HG12 VAL A 16 39.062 30.360 18.726 1.00 0.00 H new ATOM 0 HG13 VAL A 16 39.242 32.026 19.327 1.00 0.00 H new ATOM 0 HG21 VAL A 16 36.282 32.517 19.805 1.00 0.00 H new ATOM 0 HG22 VAL A 16 37.315 33.694 18.960 1.00 0.00 H new ATOM 0 HG23 VAL A 16 35.819 33.112 18.193 1.00 0.00 H new ATOM 121 N GLU A 17 40.126 31.653 15.816 1.00 0.00 N ATOM 122 CA GLU A 17 41.265 30.831 15.542 1.00 0.00 C ATOM 123 C GLU A 17 42.123 30.796 16.759 1.00 0.00 C ATOM 124 O GLU A 17 42.868 31.725 17.065 1.00 0.00 O ATOM 125 CB GLU A 17 42.137 31.289 14.361 1.00 0.00 C ATOM 126 CG GLU A 17 41.673 30.746 13.008 1.00 0.00 C ATOM 127 CD GLU A 17 42.763 30.923 11.960 1.00 0.00 C ATOM 128 OE1 GLU A 17 43.094 32.093 11.629 1.00 0.00 O ATOM 129 OE2 GLU A 17 43.298 29.906 11.443 1.00 0.00 O ATOM 0 H GLU A 17 40.270 32.641 15.609 1.00 0.00 H new ATOM 0 HA GLU A 17 40.866 29.855 15.265 1.00 0.00 H new ATOM 0 HB2 GLU A 17 42.140 32.378 14.324 1.00 0.00 H new ATOM 0 HB3 GLU A 17 43.165 30.973 14.536 1.00 0.00 H new ATOM 0 HG2 GLU A 17 41.418 29.690 13.101 1.00 0.00 H new ATOM 0 HG3 GLU A 17 40.769 31.266 12.692 1.00 0.00 H new ATOM 136 N LEU A 18 42.041 29.686 17.516 1.00 0.00 N ATOM 137 CA LEU A 18 42.656 29.552 18.800 1.00 0.00 C ATOM 138 C LEU A 18 43.742 28.532 18.755 1.00 0.00 C ATOM 139 O LEU A 18 43.550 27.395 18.325 1.00 0.00 O ATOM 140 CB LEU A 18 41.582 29.102 19.805 1.00 0.00 C ATOM 141 CG LEU A 18 41.949 29.278 21.289 1.00 0.00 C ATOM 142 CD1 LEU A 18 42.072 30.766 21.657 1.00 0.00 C ATOM 143 CD2 LEU A 18 40.865 28.590 22.136 1.00 0.00 C ATOM 0 H LEU A 18 41.529 28.854 17.224 1.00 0.00 H new ATOM 0 HA LEU A 18 43.088 30.507 19.097 1.00 0.00 H new ATOM 0 HB2 LEU A 18 40.667 29.660 19.606 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.359 28.050 19.626 1.00 0.00 H new ATOM 0 HG LEU A 18 42.919 28.822 21.485 1.00 0.00 H new ATOM 0 HD11 LEU A 18 42.332 30.860 22.711 1.00 0.00 H new ATOM 0 HD12 LEU A 18 42.850 31.228 21.049 1.00 0.00 H new ATOM 0 HD13 LEU A 18 41.121 31.266 21.472 1.00 0.00 H new ATOM 0 HD21 LEU A 18 41.104 28.702 23.194 1.00 0.00 H new ATOM 0 HD22 LEU A 18 39.898 29.049 21.932 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.824 27.530 21.883 1.00 0.00 H new ATOM 155 N ALA A 19 44.949 28.879 19.236 1.00 0.00 N ATOM 156 CA ALA A 19 46.013 27.948 19.440 1.00 0.00 C ATOM 157 C ALA A 19 46.069 27.642 20.897 1.00 0.00 C ATOM 158 O ALA A 19 45.894 28.524 21.736 1.00 0.00 O ATOM 159 CB ALA A 19 47.358 28.501 18.942 1.00 0.00 C ATOM 0 H ALA A 19 45.191 29.837 19.490 1.00 0.00 H new ATOM 0 HA ALA A 19 45.824 27.041 18.865 1.00 0.00 H new ATOM 0 HB1 ALA A 19 48.141 27.763 19.115 1.00 0.00 H new ATOM 0 HB2 ALA A 19 47.291 28.715 17.875 1.00 0.00 H new ATOM 0 HB3 ALA A 19 47.597 29.417 19.482 1.00 0.00 H new ATOM 165 N LYS A 20 46.303 26.369 21.264 1.00 0.00 N ATOM 166 CA LYS A 20 46.346 25.958 22.632 1.00 0.00 C ATOM 167 C LYS A 20 47.462 26.537 23.432 1.00 0.00 C ATOM 168 O LYS A 20 48.520 26.904 22.922 1.00 0.00 O ATOM 169 CB LYS A 20 46.403 24.424 22.721 1.00 0.00 C ATOM 170 CG LYS A 20 45.054 23.771 22.415 1.00 0.00 C ATOM 171 CD LYS A 20 45.158 22.270 22.142 1.00 0.00 C ATOM 172 CE LYS A 20 43.793 21.579 22.129 1.00 0.00 C ATOM 173 NZ LYS A 20 43.865 20.276 21.431 1.00 0.00 N ATOM 0 H LYS A 20 46.465 25.613 20.599 1.00 0.00 H new ATOM 0 HA LYS A 20 45.428 26.348 23.072 1.00 0.00 H new ATOM 0 HB2 LYS A 20 47.151 24.050 22.022 1.00 0.00 H new ATOM 0 HB3 LYS A 20 46.726 24.133 23.720 1.00 0.00 H new ATOM 0 HG2 LYS A 20 44.380 23.935 23.256 1.00 0.00 H new ATOM 0 HG3 LYS A 20 44.609 24.261 21.549 1.00 0.00 H new ATOM 0 HD2 LYS A 20 45.650 22.112 21.182 1.00 0.00 H new ATOM 0 HD3 LYS A 20 45.788 21.809 22.903 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.448 21.429 23.152 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.062 22.220 21.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.903 19.922 21.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.361 20.395 20.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.382 19.594 22.022 1.00 0.00 H new ATOM 187 N THR A 21 47.268 26.669 24.756 1.00 0.00 N ATOM 188 CA THR A 21 48.276 27.116 25.667 1.00 0.00 C ATOM 189 C THR A 21 48.820 25.932 26.390 1.00 0.00 C ATOM 190 O THR A 21 48.490 25.687 27.549 1.00 0.00 O ATOM 191 CB THR A 21 47.809 28.144 26.654 1.00 0.00 C ATOM 192 OG1 THR A 21 46.629 27.751 27.339 1.00 0.00 O ATOM 193 CG2 THR A 21 47.481 29.445 25.899 1.00 0.00 C ATOM 0 H THR A 21 46.379 26.457 25.208 1.00 0.00 H new ATOM 0 HA THR A 21 49.042 27.612 25.071 1.00 0.00 H new ATOM 0 HB THR A 21 48.610 28.272 27.382 1.00 0.00 H new ATOM 0 HG1 THR A 21 46.545 28.267 28.168 1.00 0.00 H new ATOM 0 HG21 THR A 21 47.140 30.200 26.607 1.00 0.00 H new ATOM 0 HG22 THR A 21 48.374 29.804 25.387 1.00 0.00 H new ATOM 0 HG23 THR A 21 46.696 29.253 25.167 1.00 0.00 H new ATOM 201 N ASP A 22 49.662 25.140 25.702 1.00 0.00 N ATOM 202 CA ASP A 22 50.253 23.926 26.174 1.00 0.00 C ATOM 203 C ASP A 22 49.233 22.893 26.509 1.00 0.00 C ATOM 204 O ASP A 22 49.081 22.470 27.654 1.00 0.00 O ATOM 205 CB ASP A 22 51.246 24.239 27.305 1.00 0.00 C ATOM 206 CG ASP A 22 52.342 23.203 27.512 1.00 0.00 C ATOM 207 OD1 ASP A 22 52.733 22.502 26.542 1.00 0.00 O ATOM 208 OD2 ASP A 22 52.859 23.113 28.658 1.00 0.00 O ATOM 0 H ASP A 22 49.949 25.365 24.749 1.00 0.00 H new ATOM 0 HA ASP A 22 50.829 23.468 25.370 1.00 0.00 H new ATOM 0 HB2 ASP A 22 51.713 25.202 27.100 1.00 0.00 H new ATOM 0 HB3 ASP A 22 50.689 24.346 28.236 1.00 0.00 H new ATOM 213 N GLY A 23 48.436 22.460 25.515 1.00 0.00 N ATOM 214 CA GLY A 23 47.353 21.547 25.709 1.00 0.00 C ATOM 215 C GLY A 23 46.047 22.176 26.049 1.00 0.00 C ATOM 216 O GLY A 23 44.982 21.642 25.742 1.00 0.00 O ATOM 0 H GLY A 23 48.549 22.755 24.545 1.00 0.00 H new ATOM 0 HA2 GLY A 23 47.229 20.957 24.801 1.00 0.00 H new ATOM 0 HA3 GLY A 23 47.622 20.853 26.505 1.00 0.00 H new ATOM 220 N SER A 24 46.052 23.338 26.727 1.00 0.00 N ATOM 221 CA SER A 24 44.870 23.874 27.328 1.00 0.00 C ATOM 222 C SER A 24 44.139 24.811 26.429 1.00 0.00 C ATOM 223 O SER A 24 44.713 25.677 25.770 1.00 0.00 O ATOM 224 CB SER A 24 45.168 24.639 28.628 1.00 0.00 C ATOM 225 OG SER A 24 45.874 23.825 29.553 1.00 0.00 O ATOM 0 H SER A 24 46.885 23.912 26.860 1.00 0.00 H new ATOM 0 HA SER A 24 44.254 22.999 27.535 1.00 0.00 H new ATOM 0 HB2 SER A 24 45.754 25.530 28.402 1.00 0.00 H new ATOM 0 HB3 SER A 24 44.234 24.977 29.076 1.00 0.00 H new ATOM 0 HG SER A 24 46.052 24.337 30.370 1.00 0.00 H new ATOM 231 N LEU A 25 42.804 24.664 26.388 1.00 0.00 N ATOM 232 CA LEU A 25 41.898 25.481 25.640 1.00 0.00 C ATOM 233 C LEU A 25 41.219 26.461 26.533 1.00 0.00 C ATOM 234 O LEU A 25 41.164 27.650 26.225 1.00 0.00 O ATOM 235 CB LEU A 25 40.815 24.643 24.938 1.00 0.00 C ATOM 236 CG LEU A 25 41.314 23.903 23.686 1.00 0.00 C ATOM 237 CD1 LEU A 25 40.264 22.886 23.209 1.00 0.00 C ATOM 238 CD2 LEU A 25 41.647 24.882 22.549 1.00 0.00 C ATOM 0 H LEU A 25 42.327 23.929 26.910 1.00 0.00 H new ATOM 0 HA LEU A 25 42.493 25.998 24.887 1.00 0.00 H new ATOM 0 HB2 LEU A 25 40.418 23.914 25.645 1.00 0.00 H new ATOM 0 HB3 LEU A 25 39.989 25.297 24.657 1.00 0.00 H new ATOM 0 HG LEU A 25 42.228 23.375 23.958 1.00 0.00 H new ATOM 0 HD11 LEU A 25 40.633 22.371 22.322 1.00 0.00 H new ATOM 0 HD12 LEU A 25 40.076 22.159 23.999 1.00 0.00 H new ATOM 0 HD13 LEU A 25 39.337 23.406 22.967 1.00 0.00 H new ATOM 0 HD21 LEU A 25 41.997 24.325 21.680 1.00 0.00 H new ATOM 0 HD22 LEU A 25 40.754 25.447 22.282 1.00 0.00 H new ATOM 0 HD23 LEU A 25 42.427 25.569 22.877 1.00 0.00 H new ATOM 250 N GLY A 26 40.656 26.031 27.676 1.00 0.00 N ATOM 251 CA GLY A 26 39.965 26.885 28.592 1.00 0.00 C ATOM 252 C GLY A 26 38.485 26.709 28.585 1.00 0.00 C ATOM 253 O GLY A 26 37.818 27.176 29.507 1.00 0.00 O ATOM 0 H GLY A 26 40.683 25.056 27.973 1.00 0.00 H new ATOM 0 HA2 GLY A 26 40.338 26.698 29.599 1.00 0.00 H new ATOM 0 HA3 GLY A 26 40.199 27.922 28.353 1.00 0.00 H new ATOM 257 N ILE A 27 37.903 26.059 27.561 1.00 0.00 N ATOM 258 CA ILE A 27 36.489 25.900 27.426 1.00 0.00 C ATOM 259 C ILE A 27 35.999 24.592 27.945 1.00 0.00 C ATOM 260 O ILE A 27 36.397 23.528 27.474 1.00 0.00 O ATOM 261 CB ILE A 27 36.040 26.055 26.002 1.00 0.00 C ATOM 262 CG1 ILE A 27 37.053 25.483 24.995 1.00 0.00 C ATOM 263 CG2 ILE A 27 35.778 27.548 25.745 1.00 0.00 C ATOM 264 CD1 ILE A 27 36.491 25.348 23.581 1.00 0.00 C ATOM 0 H ILE A 27 38.434 25.630 26.803 1.00 0.00 H new ATOM 0 HA ILE A 27 36.056 26.695 28.033 1.00 0.00 H new ATOM 0 HB ILE A 27 35.126 25.479 25.855 1.00 0.00 H new ATOM 0 HG12 ILE A 27 37.932 26.127 24.969 1.00 0.00 H new ATOM 0 HG13 ILE A 27 37.385 24.504 25.341 1.00 0.00 H new ATOM 0 HG21 ILE A 27 35.450 27.688 24.715 1.00 0.00 H new ATOM 0 HG22 ILE A 27 35.003 27.904 26.424 1.00 0.00 H new ATOM 0 HG23 ILE A 27 36.695 28.113 25.913 1.00 0.00 H new ATOM 0 HD11 ILE A 27 37.257 24.939 22.922 1.00 0.00 H new ATOM 0 HD12 ILE A 27 35.630 24.680 23.594 1.00 0.00 H new ATOM 0 HD13 ILE A 27 36.185 26.328 23.216 1.00 0.00 H new ATOM 276 N SER A 28 35.072 24.621 28.920 1.00 0.00 N ATOM 277 CA SER A 28 34.306 23.480 29.317 1.00 0.00 C ATOM 278 C SER A 28 32.880 23.738 28.970 1.00 0.00 C ATOM 279 O SER A 28 32.389 24.850 29.155 1.00 0.00 O ATOM 280 CB SER A 28 34.401 23.154 30.816 1.00 0.00 C ATOM 281 OG SER A 28 35.715 22.708 31.118 1.00 0.00 O ATOM 0 H SER A 28 34.849 25.464 29.448 1.00 0.00 H new ATOM 0 HA SER A 28 34.714 22.618 28.789 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.160 24.037 31.408 1.00 0.00 H new ATOM 0 HB3 SER A 28 33.674 22.385 31.079 1.00 0.00 H new ATOM 0 HG SER A 28 35.779 22.501 32.074 1.00 0.00 H new ATOM 287 N VAL A 29 32.164 22.736 28.427 1.00 0.00 N ATOM 288 CA VAL A 29 30.901 22.907 27.780 1.00 0.00 C ATOM 289 C VAL A 29 29.830 22.048 28.360 1.00 0.00 C ATOM 290 O VAL A 29 30.083 21.121 29.128 1.00 0.00 O ATOM 291 CB VAL A 29 30.973 22.701 26.296 1.00 0.00 C ATOM 292 CG1 VAL A 29 31.843 23.806 25.674 1.00 0.00 C ATOM 293 CG2 VAL A 29 31.520 21.307 25.947 1.00 0.00 C ATOM 0 H VAL A 29 32.480 21.766 28.440 1.00 0.00 H new ATOM 0 HA VAL A 29 30.635 23.948 27.964 1.00 0.00 H new ATOM 0 HB VAL A 29 29.966 22.759 25.883 1.00 0.00 H new ATOM 0 HG11 VAL A 29 31.899 23.661 24.595 1.00 0.00 H new ATOM 0 HG12 VAL A 29 31.402 24.780 25.887 1.00 0.00 H new ATOM 0 HG13 VAL A 29 32.846 23.762 26.098 1.00 0.00 H new ATOM 0 HG21 VAL A 29 31.559 21.192 24.864 1.00 0.00 H new ATOM 0 HG22 VAL A 29 32.523 21.196 26.360 1.00 0.00 H new ATOM 0 HG23 VAL A 29 30.867 20.544 26.370 1.00 0.00 H new ATOM 303 N THR A 30 28.561 22.351 28.033 1.00 0.00 N ATOM 304 CA THR A 30 27.396 21.661 28.493 1.00 0.00 C ATOM 305 C THR A 30 26.355 21.624 27.428 1.00 0.00 C ATOM 306 O THR A 30 26.521 22.199 26.354 1.00 0.00 O ATOM 307 CB THR A 30 26.830 22.286 29.734 1.00 0.00 C ATOM 308 OG1 THR A 30 25.983 21.398 30.449 1.00 0.00 O ATOM 309 CG2 THR A 30 26.086 23.608 29.483 1.00 0.00 C ATOM 0 H THR A 30 28.335 23.126 27.409 1.00 0.00 H new ATOM 0 HA THR A 30 27.700 20.643 28.737 1.00 0.00 H new ATOM 0 HB THR A 30 27.706 22.513 30.341 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.639 21.847 31.249 1.00 0.00 H new ATOM 0 HG21 THR A 30 25.707 23.997 30.428 1.00 0.00 H new ATOM 0 HG22 THR A 30 26.770 24.332 29.041 1.00 0.00 H new ATOM 0 HG23 THR A 30 25.253 23.433 28.802 1.00 0.00 H new ATOM 317 N GLY A 31 25.210 20.968 27.694 1.00 0.00 N ATOM 318 CA GLY A 31 24.026 21.066 26.899 1.00 0.00 C ATOM 319 C GLY A 31 23.798 19.957 25.929 1.00 0.00 C ATOM 320 O GLY A 31 23.931 18.775 26.241 1.00 0.00 O ATOM 0 H GLY A 31 25.106 20.345 28.495 1.00 0.00 H new ATOM 0 HA2 GLY A 31 23.167 21.120 27.567 1.00 0.00 H new ATOM 0 HA3 GLY A 31 24.060 22.005 26.346 1.00 0.00 H new ATOM 324 N GLY A 32 23.386 20.329 24.704 1.00 0.00 N ATOM 325 CA GLY A 32 23.082 19.458 23.611 1.00 0.00 C ATOM 326 C GLY A 32 21.786 18.736 23.758 1.00 0.00 C ATOM 327 O GLY A 32 21.130 18.785 24.797 1.00 0.00 O ATOM 0 H GLY A 32 23.256 21.311 24.461 1.00 0.00 H new ATOM 0 HA2 GLY A 32 23.060 20.040 22.690 1.00 0.00 H new ATOM 0 HA3 GLY A 32 23.884 18.727 23.507 1.00 0.00 H new ATOM 331 N VAL A 33 21.388 17.956 22.737 1.00 0.00 N ATOM 332 CA VAL A 33 20.175 17.198 22.727 1.00 0.00 C ATOM 333 C VAL A 33 20.249 15.948 23.536 1.00 0.00 C ATOM 334 O VAL A 33 19.552 14.960 23.311 1.00 0.00 O ATOM 335 CB VAL A 33 19.719 16.877 21.335 1.00 0.00 C ATOM 336 CG1 VAL A 33 18.182 16.885 21.288 1.00 0.00 C ATOM 337 CG2 VAL A 33 20.261 17.893 20.316 1.00 0.00 C ATOM 0 H VAL A 33 21.934 17.849 21.882 1.00 0.00 H new ATOM 0 HA VAL A 33 19.437 17.848 23.198 1.00 0.00 H new ATOM 0 HB VAL A 33 20.103 15.891 21.072 1.00 0.00 H new ATOM 0 HG11 VAL A 33 17.848 16.652 20.277 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.793 16.138 21.980 1.00 0.00 H new ATOM 0 HG13 VAL A 33 17.814 17.871 21.574 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.911 17.630 19.318 1.00 0.00 H new ATOM 0 HG22 VAL A 33 19.906 18.891 20.573 1.00 0.00 H new ATOM 0 HG23 VAL A 33 21.351 17.880 20.333 1.00 0.00 H new ATOM 450 N GLY A 41 21.072 23.040 22.663 1.00 0.00 N ATOM 451 CA GLY A 41 22.289 23.460 22.041 1.00 0.00 C ATOM 452 C GLY A 41 23.430 23.351 22.992 1.00 0.00 C ATOM 453 O GLY A 41 23.239 23.056 24.171 1.00 0.00 O ATOM 0 HA2 GLY A 41 22.483 22.848 21.160 1.00 0.00 H new ATOM 0 HA3 GLY A 41 22.192 24.490 21.698 1.00 0.00 H new ATOM 457 N ILE A 42 24.664 23.558 22.498 1.00 0.00 N ATOM 458 CA ILE A 42 25.877 23.405 23.240 1.00 0.00 C ATOM 459 C ILE A 42 26.254 24.732 23.802 1.00 0.00 C ATOM 460 O ILE A 42 26.415 25.711 23.074 1.00 0.00 O ATOM 461 CB ILE A 42 26.983 22.835 22.401 1.00 0.00 C ATOM 462 CG1 ILE A 42 26.564 21.545 21.677 1.00 0.00 C ATOM 463 CG2 ILE A 42 28.247 22.585 23.238 1.00 0.00 C ATOM 464 CD1 ILE A 42 26.347 20.340 22.592 1.00 0.00 C ATOM 0 H ILE A 42 24.823 23.847 21.533 1.00 0.00 H new ATOM 0 HA ILE A 42 25.713 22.692 24.048 1.00 0.00 H new ATOM 0 HB ILE A 42 27.208 23.583 21.640 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.643 21.736 21.127 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.328 21.293 20.942 1.00 0.00 H new ATOM 0 HG21 ILE A 42 29.029 22.172 22.601 1.00 0.00 H new ATOM 0 HG22 ILE A 42 28.589 23.525 23.670 1.00 0.00 H new ATOM 0 HG23 ILE A 42 28.020 21.880 24.038 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.054 19.477 21.994 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.272 20.116 23.124 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.560 20.567 23.312 1.00 0.00 H new ATOM 476 N TYR A 43 26.391 24.836 25.136 1.00 0.00 N ATOM 477 CA TYR A 43 26.649 26.078 25.797 1.00 0.00 C ATOM 478 C TYR A 43 27.921 25.980 26.566 1.00 0.00 C ATOM 479 O TYR A 43 28.328 24.903 26.999 1.00 0.00 O ATOM 480 CB TYR A 43 25.537 26.466 26.787 1.00 0.00 C ATOM 481 CG TYR A 43 24.245 26.724 26.090 1.00 0.00 C ATOM 482 CD1 TYR A 43 24.032 27.920 25.446 1.00 0.00 C ATOM 483 CD2 TYR A 43 23.239 25.787 26.117 1.00 0.00 C ATOM 484 CE1 TYR A 43 22.824 28.185 24.845 1.00 0.00 C ATOM 485 CE2 TYR A 43 22.024 26.048 25.530 1.00 0.00 C ATOM 486 CZ TYR A 43 21.816 27.251 24.897 1.00 0.00 C ATOM 487 OH TYR A 43 20.558 27.534 24.323 1.00 0.00 O ATOM 0 H TYR A 43 26.321 24.040 25.769 1.00 0.00 H new ATOM 0 HA TYR A 43 26.704 26.839 25.019 1.00 0.00 H new ATOM 0 HB2 TYR A 43 25.404 25.667 27.516 1.00 0.00 H new ATOM 0 HB3 TYR A 43 25.836 27.356 27.340 1.00 0.00 H new ATOM 0 HD1 TYR A 43 24.820 28.658 25.412 1.00 0.00 H new ATOM 0 HD2 TYR A 43 23.405 24.837 26.604 1.00 0.00 H new ATOM 0 HE1 TYR A 43 22.667 29.123 24.334 1.00 0.00 H new ATOM 0 HE2 TYR A 43 21.235 25.311 25.566 1.00 0.00 H new ATOM 0 HH TYR A 43 19.962 26.766 24.447 1.00 0.00 H new ATOM 497 N VAL A 44 28.621 27.109 26.779 1.00 0.00 N ATOM 498 CA VAL A 44 29.790 27.159 27.603 1.00 0.00 C ATOM 499 C VAL A 44 29.446 27.121 29.051 1.00 0.00 C ATOM 500 O VAL A 44 28.585 27.857 29.532 1.00 0.00 O ATOM 501 CB VAL A 44 30.698 28.300 27.250 1.00 0.00 C ATOM 502 CG1 VAL A 44 32.033 28.200 28.007 1.00 0.00 C ATOM 503 CG2 VAL A 44 30.985 28.272 25.740 1.00 0.00 C ATOM 0 H VAL A 44 28.369 28.008 26.369 1.00 0.00 H new ATOM 0 HA VAL A 44 30.362 26.255 27.394 1.00 0.00 H new ATOM 0 HB VAL A 44 30.203 29.230 27.531 1.00 0.00 H new ATOM 0 HG11 VAL A 44 32.671 29.040 27.732 1.00 0.00 H new ATOM 0 HG12 VAL A 44 31.845 28.224 29.080 1.00 0.00 H new ATOM 0 HG13 VAL A 44 32.530 27.266 27.746 1.00 0.00 H new ATOM 0 HG21 VAL A 44 31.645 29.100 25.480 1.00 0.00 H new ATOM 0 HG22 VAL A 44 31.465 27.329 25.478 1.00 0.00 H new ATOM 0 HG23 VAL A 44 30.049 28.367 25.190 1.00 0.00 H new ATOM 513 N LYS A 45 30.092 26.222 29.816 1.00 0.00 N ATOM 514 CA LYS A 45 29.859 25.978 31.205 1.00 0.00 C ATOM 515 C LYS A 45 30.815 26.730 32.066 1.00 0.00 C ATOM 516 O LYS A 45 30.423 27.338 33.060 1.00 0.00 O ATOM 517 CB LYS A 45 30.009 24.477 31.506 1.00 0.00 C ATOM 518 CG LYS A 45 29.727 24.065 32.952 1.00 0.00 C ATOM 519 CD LYS A 45 30.096 22.613 33.266 1.00 0.00 C ATOM 520 CE LYS A 45 29.254 21.584 32.510 1.00 0.00 C ATOM 521 NZ LYS A 45 29.636 20.197 32.851 1.00 0.00 N ATOM 0 H LYS A 45 30.827 25.626 29.436 1.00 0.00 H new ATOM 0 HA LYS A 45 28.847 26.315 31.428 1.00 0.00 H new ATOM 0 HB2 LYS A 45 29.336 23.924 30.851 1.00 0.00 H new ATOM 0 HB3 LYS A 45 31.024 24.173 31.251 1.00 0.00 H new ATOM 0 HG2 LYS A 45 30.281 24.723 33.622 1.00 0.00 H new ATOM 0 HG3 LYS A 45 28.668 24.214 33.162 1.00 0.00 H new ATOM 0 HD2 LYS A 45 31.147 22.455 33.026 1.00 0.00 H new ATOM 0 HD3 LYS A 45 29.985 22.443 34.337 1.00 0.00 H new ATOM 0 HE2 LYS A 45 28.200 21.737 32.742 1.00 0.00 H new ATOM 0 HE3 LYS A 45 29.370 21.739 31.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 29.041 19.532 32.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 30.635 20.042 32.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 29.501 20.040 33.870 1.00 0.00 H new ATOM 535 N ALA A 46 32.120 26.705 31.742 1.00 0.00 N ATOM 536 CA ALA A 46 33.105 27.346 32.556 1.00 0.00 C ATOM 537 C ALA A 46 34.266 27.752 31.713 1.00 0.00 C ATOM 538 O ALA A 46 34.529 27.124 30.688 1.00 0.00 O ATOM 539 CB ALA A 46 33.602 26.398 33.660 1.00 0.00 C ATOM 0 H ALA A 46 32.493 26.240 30.915 1.00 0.00 H new ATOM 0 HA ALA A 46 32.649 28.222 33.017 1.00 0.00 H new ATOM 0 HB1 ALA A 46 34.351 26.907 34.267 1.00 0.00 H new ATOM 0 HB2 ALA A 46 32.763 26.103 34.291 1.00 0.00 H new ATOM 0 HB3 ALA A 46 34.045 25.511 33.206 1.00 0.00 H new ATOM 545 N ILE A 47 34.989 28.806 32.131 1.00 0.00 N ATOM 546 CA ILE A 47 36.232 29.203 31.545 1.00 0.00 C ATOM 547 C ILE A 47 37.334 28.984 32.523 1.00 0.00 C ATOM 548 O ILE A 47 37.348 29.506 33.637 1.00 0.00 O ATOM 549 CB ILE A 47 36.155 30.546 30.880 1.00 0.00 C ATOM 550 CG1 ILE A 47 36.637 30.480 29.422 1.00 0.00 C ATOM 551 CG2 ILE A 47 36.866 31.685 31.631 1.00 0.00 C ATOM 552 CD1 ILE A 47 35.654 29.776 28.487 1.00 0.00 C ATOM 0 H ILE A 47 34.698 29.403 32.905 1.00 0.00 H new ATOM 0 HA ILE A 47 36.478 28.563 30.697 1.00 0.00 H new ATOM 0 HB ILE A 47 35.095 30.799 30.902 1.00 0.00 H new ATOM 0 HG12 ILE A 47 36.810 31.493 29.059 1.00 0.00 H new ATOM 0 HG13 ILE A 47 37.595 29.961 29.387 1.00 0.00 H new ATOM 0 HG21 ILE A 47 36.755 32.614 31.072 1.00 0.00 H new ATOM 0 HG22 ILE A 47 36.423 31.801 32.620 1.00 0.00 H new ATOM 0 HG23 ILE A 47 37.925 31.448 31.733 1.00 0.00 H new ATOM 0 HD11 ILE A 47 36.058 29.766 27.475 1.00 0.00 H new ATOM 0 HD12 ILE A 47 35.499 28.752 28.826 1.00 0.00 H new ATOM 0 HD13 ILE A 47 34.702 30.308 28.492 1.00 0.00 H new ATOM 564 N ILE A 48 38.271 28.078 32.191 1.00 0.00 N ATOM 565 CA ILE A 48 39.339 27.622 33.026 1.00 0.00 C ATOM 566 C ILE A 48 40.467 28.588 33.156 1.00 0.00 C ATOM 567 O ILE A 48 40.981 28.967 32.106 1.00 0.00 O ATOM 568 CB ILE A 48 39.895 26.298 32.593 1.00 0.00 C ATOM 569 CG1 ILE A 48 38.783 25.307 32.210 1.00 0.00 C ATOM 570 CG2 ILE A 48 40.793 25.708 33.693 1.00 0.00 C ATOM 571 CD1 ILE A 48 37.841 24.897 33.342 1.00 0.00 C ATOM 0 H ILE A 48 38.282 27.633 31.273 1.00 0.00 H new ATOM 0 HA ILE A 48 38.866 27.518 34.002 1.00 0.00 H new ATOM 0 HB ILE A 48 40.497 26.470 31.701 1.00 0.00 H new ATOM 0 HG12 ILE A 48 38.189 25.748 31.409 1.00 0.00 H new ATOM 0 HG13 ILE A 48 39.247 24.408 31.805 1.00 0.00 H new ATOM 0 HG21 ILE A 48 41.189 24.747 33.363 1.00 0.00 H new ATOM 0 HG22 ILE A 48 41.619 26.391 33.894 1.00 0.00 H new ATOM 0 HG23 ILE A 48 40.209 25.567 34.603 1.00 0.00 H new ATOM 0 HD11 ILE A 48 37.097 24.197 32.961 1.00 0.00 H new ATOM 0 HD12 ILE A 48 38.414 24.420 34.137 1.00 0.00 H new ATOM 0 HD13 ILE A 48 37.339 25.781 33.736 1.00 0.00 H new ATOM 583 N PRO A 49 40.959 28.997 34.288 1.00 0.00 N ATOM 584 CA PRO A 49 42.032 29.943 34.375 1.00 0.00 C ATOM 585 C PRO A 49 43.306 29.576 33.694 1.00 0.00 C ATOM 586 O PRO A 49 43.778 28.447 33.823 1.00 0.00 O ATOM 587 CB PRO A 49 42.257 30.132 35.873 1.00 0.00 C ATOM 588 CG PRO A 49 40.849 29.953 36.463 1.00 0.00 C ATOM 589 CD PRO A 49 40.274 28.848 35.562 1.00 0.00 C ATOM 0 HA PRO A 49 41.739 30.846 33.840 1.00 0.00 H new ATOM 0 HB2 PRO A 49 42.957 29.398 36.271 1.00 0.00 H new ATOM 0 HB3 PRO A 49 42.666 31.117 36.098 1.00 0.00 H new ATOM 0 HG2 PRO A 49 40.879 29.653 37.511 1.00 0.00 H new ATOM 0 HG3 PRO A 49 40.263 30.871 36.411 1.00 0.00 H new ATOM 0 HD2 PRO A 49 40.449 27.861 35.990 1.00 0.00 H new ATOM 0 HD3 PRO A 49 39.196 28.958 35.444 1.00 0.00 H new ATOM 597 N LYS A 50 43.867 30.521 32.919 1.00 0.00 N ATOM 598 CA LYS A 50 45.013 30.383 32.075 1.00 0.00 C ATOM 599 C LYS A 50 44.782 29.576 30.845 1.00 0.00 C ATOM 600 O LYS A 50 45.731 29.150 30.187 1.00 0.00 O ATOM 601 CB LYS A 50 46.319 29.980 32.781 1.00 0.00 C ATOM 602 CG LYS A 50 46.963 31.070 33.640 1.00 0.00 C ATOM 603 CD LYS A 50 48.417 30.698 33.938 1.00 0.00 C ATOM 604 CE LYS A 50 49.272 31.771 34.616 1.00 0.00 C ATOM 605 NZ LYS A 50 48.784 32.053 35.984 1.00 0.00 N ATOM 0 H LYS A 50 43.483 31.465 32.881 1.00 0.00 H new ATOM 0 HA LYS A 50 45.169 31.412 31.750 1.00 0.00 H new ATOM 0 HB2 LYS A 50 46.119 29.114 33.412 1.00 0.00 H new ATOM 0 HB3 LYS A 50 47.038 29.664 32.025 1.00 0.00 H new ATOM 0 HG2 LYS A 50 46.921 32.028 33.121 1.00 0.00 H new ATOM 0 HG3 LYS A 50 46.409 31.188 34.571 1.00 0.00 H new ATOM 0 HD2 LYS A 50 48.419 29.810 34.571 1.00 0.00 H new ATOM 0 HD3 LYS A 50 48.898 30.422 32.999 1.00 0.00 H new ATOM 0 HE2 LYS A 50 50.310 31.441 34.657 1.00 0.00 H new ATOM 0 HE3 LYS A 50 49.251 32.685 34.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 49.381 32.784 36.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 47.801 32.390 35.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 48.827 31.184 36.554 1.00 0.00 H new ATOM 619 N GLY A 51 43.528 29.371 30.404 1.00 0.00 N ATOM 620 CA GLY A 51 43.274 28.771 29.132 1.00 0.00 C ATOM 621 C GLY A 51 43.463 29.732 28.007 1.00 0.00 C ATOM 622 O GLY A 51 43.395 30.948 28.177 1.00 0.00 O ATOM 0 H GLY A 51 42.690 29.621 30.929 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.940 27.919 28.995 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.254 28.386 29.111 1.00 0.00 H new ATOM 626 N ALA A 52 43.719 29.225 26.788 1.00 0.00 N ATOM 627 CA ALA A 52 43.710 29.968 25.566 1.00 0.00 C ATOM 628 C ALA A 52 42.498 30.811 25.359 1.00 0.00 C ATOM 629 O ALA A 52 42.557 32.035 25.258 1.00 0.00 O ATOM 630 CB ALA A 52 43.910 28.979 24.405 1.00 0.00 C ATOM 0 H ALA A 52 43.945 28.240 26.648 1.00 0.00 H new ATOM 0 HA ALA A 52 44.527 30.688 25.613 1.00 0.00 H new ATOM 0 HB1 ALA A 52 43.907 29.522 23.460 1.00 0.00 H new ATOM 0 HB2 ALA A 52 44.864 28.465 24.525 1.00 0.00 H new ATOM 0 HB3 ALA A 52 43.101 28.248 24.406 1.00 0.00 H new ATOM 636 N ALA A 53 41.322 30.159 25.326 1.00 0.00 N ATOM 637 CA ALA A 53 40.016 30.711 25.138 1.00 0.00 C ATOM 638 C ALA A 53 39.631 31.637 26.239 1.00 0.00 C ATOM 639 O ALA A 53 39.128 32.730 25.988 1.00 0.00 O ATOM 640 CB ALA A 53 38.958 29.598 25.063 1.00 0.00 C ATOM 0 H ALA A 53 41.285 29.146 25.443 1.00 0.00 H new ATOM 0 HA ALA A 53 40.054 31.267 24.201 1.00 0.00 H new ATOM 0 HB1 ALA A 53 37.973 30.042 24.920 1.00 0.00 H new ATOM 0 HB2 ALA A 53 39.184 28.937 24.226 1.00 0.00 H new ATOM 0 HB3 ALA A 53 38.967 29.025 25.990 1.00 0.00 H new ATOM 646 N GLU A 54 39.897 31.203 27.485 1.00 0.00 N ATOM 647 CA GLU A 54 39.753 31.960 28.690 1.00 0.00 C ATOM 648 C GLU A 54 40.292 33.346 28.607 1.00 0.00 C ATOM 649 O GLU A 54 39.568 34.333 28.735 1.00 0.00 O ATOM 650 CB GLU A 54 40.442 31.233 29.858 1.00 0.00 C ATOM 651 CG GLU A 54 40.330 31.924 31.218 1.00 0.00 C ATOM 652 CD GLU A 54 41.579 32.564 31.808 1.00 0.00 C ATOM 653 OE1 GLU A 54 42.680 32.533 31.197 1.00 0.00 O ATOM 654 OE2 GLU A 54 41.466 33.093 32.945 1.00 0.00 O ATOM 0 H GLU A 54 40.236 30.257 27.661 1.00 0.00 H new ATOM 0 HA GLU A 54 38.679 32.044 28.854 1.00 0.00 H new ATOM 0 HB2 GLU A 54 40.018 30.232 29.942 1.00 0.00 H new ATOM 0 HB3 GLU A 54 41.498 31.112 29.616 1.00 0.00 H new ATOM 0 HG2 GLU A 54 39.567 32.698 31.136 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.963 31.190 31.935 1.00 0.00 H new ATOM 661 N SER A 55 41.612 33.438 28.364 1.00 0.00 N ATOM 662 CA SER A 55 42.329 34.675 28.343 1.00 0.00 C ATOM 663 C SER A 55 41.957 35.563 27.206 1.00 0.00 C ATOM 664 O SER A 55 41.763 36.762 27.395 1.00 0.00 O ATOM 665 CB SER A 55 43.847 34.434 28.304 1.00 0.00 C ATOM 666 OG SER A 55 44.569 35.587 28.709 1.00 0.00 O ATOM 0 H SER A 55 42.199 32.625 28.176 1.00 0.00 H new ATOM 0 HA SER A 55 42.047 35.183 29.266 1.00 0.00 H new ATOM 0 HB2 SER A 55 44.100 33.598 28.956 1.00 0.00 H new ATOM 0 HB3 SER A 55 44.146 34.153 27.294 1.00 0.00 H new ATOM 0 HG SER A 55 45.530 35.400 28.674 1.00 0.00 H new ATOM 672 N ASP A 56 41.808 35.007 25.991 1.00 0.00 N ATOM 673 CA ASP A 56 41.446 35.669 24.775 1.00 0.00 C ATOM 674 C ASP A 56 40.231 36.525 24.887 1.00 0.00 C ATOM 675 O ASP A 56 40.291 37.733 24.659 1.00 0.00 O ATOM 676 CB ASP A 56 41.341 34.585 23.690 1.00 0.00 C ATOM 677 CG ASP A 56 40.954 35.103 22.313 1.00 0.00 C ATOM 678 OD1 ASP A 56 41.723 35.907 21.720 1.00 0.00 O ATOM 679 OD2 ASP A 56 39.871 34.700 21.810 1.00 0.00 O ATOM 0 H ASP A 56 41.954 34.008 25.848 1.00 0.00 H new ATOM 0 HA ASP A 56 42.216 36.393 24.508 1.00 0.00 H new ATOM 0 HB2 ASP A 56 42.299 34.071 23.614 1.00 0.00 H new ATOM 0 HB3 ASP A 56 40.606 33.844 24.005 1.00 0.00 H new ATOM 684 N GLY A 57 39.074 35.966 25.282 1.00 0.00 N ATOM 685 CA GLY A 57 37.972 36.749 25.751 1.00 0.00 C ATOM 686 C GLY A 57 36.945 37.073 24.721 1.00 0.00 C ATOM 687 O GLY A 57 36.276 38.103 24.791 1.00 0.00 O ATOM 0 H GLY A 57 38.900 34.961 25.276 1.00 0.00 H new ATOM 0 HA2 GLY A 57 37.488 36.215 26.569 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.358 37.681 26.163 1.00 0.00 H new ATOM 691 N ARG A 58 36.761 36.160 23.751 1.00 0.00 N ATOM 692 CA ARG A 58 35.625 36.091 22.887 1.00 0.00 C ATOM 693 C ARG A 58 34.661 35.091 23.426 1.00 0.00 C ATOM 694 O ARG A 58 33.452 35.232 23.246 1.00 0.00 O ATOM 695 CB ARG A 58 36.048 35.718 21.456 1.00 0.00 C ATOM 696 CG ARG A 58 36.713 36.895 20.740 1.00 0.00 C ATOM 697 CD ARG A 58 37.376 36.541 19.407 1.00 0.00 C ATOM 698 NE ARG A 58 37.728 37.828 18.744 1.00 0.00 N ATOM 699 CZ ARG A 58 38.946 38.157 18.224 1.00 0.00 C ATOM 700 NH1 ARG A 58 40.016 37.310 18.171 1.00 0.00 N ATOM 701 NH2 ARG A 58 39.076 39.403 17.682 1.00 0.00 N ATOM 0 H ARG A 58 37.445 35.428 23.560 1.00 0.00 H new ATOM 0 HA ARG A 58 35.147 37.070 22.846 1.00 0.00 H new ATOM 0 HB2 ARG A 58 36.738 34.874 21.488 1.00 0.00 H new ATOM 0 HB3 ARG A 58 35.174 35.394 20.891 1.00 0.00 H new ATOM 0 HG2 ARG A 58 35.963 37.666 20.564 1.00 0.00 H new ATOM 0 HG3 ARG A 58 37.465 37.327 21.401 1.00 0.00 H new ATOM 0 HD2 ARG A 58 38.266 35.933 19.568 1.00 0.00 H new ATOM 0 HD3 ARG A 58 36.700 35.957 18.782 1.00 0.00 H new ATOM 0 HE ARG A 58 36.990 38.528 18.672 1.00 0.00 H new ATOM 0 HH11 ARG A 58 39.934 36.361 18.536 1.00 0.00 H new ATOM 0 HH12 ARG A 58 40.897 37.626 17.767 1.00 0.00 H new ATOM 0 HH21 ARG A 58 38.282 40.043 17.678 1.00 0.00 H new ATOM 0 HH22 ARG A 58 39.968 39.694 17.281 1.00 0.00 H new ATOM 715 N ILE A 59 35.153 34.053 24.127 1.00 0.00 N ATOM 716 CA ILE A 59 34.375 33.001 24.704 1.00 0.00 C ATOM 717 C ILE A 59 34.336 33.116 26.189 1.00 0.00 C ATOM 718 O ILE A 59 35.372 33.244 26.839 1.00 0.00 O ATOM 719 CB ILE A 59 34.923 31.652 24.343 1.00 0.00 C ATOM 720 CG1 ILE A 59 35.288 31.584 22.851 1.00 0.00 C ATOM 721 CG2 ILE A 59 33.883 30.582 24.714 1.00 0.00 C ATOM 722 CD1 ILE A 59 35.937 30.273 22.410 1.00 0.00 C ATOM 0 H ILE A 59 36.152 33.943 24.300 1.00 0.00 H new ATOM 0 HA ILE A 59 33.367 33.100 24.302 1.00 0.00 H new ATOM 0 HB ILE A 59 35.842 31.470 24.901 1.00 0.00 H new ATOM 0 HG12 ILE A 59 34.384 31.742 22.263 1.00 0.00 H new ATOM 0 HG13 ILE A 59 35.966 32.405 22.619 1.00 0.00 H new ATOM 0 HG21 ILE A 59 34.268 29.595 24.457 1.00 0.00 H new ATOM 0 HG22 ILE A 59 33.682 30.625 25.784 1.00 0.00 H new ATOM 0 HG23 ILE A 59 32.960 30.766 24.164 1.00 0.00 H new ATOM 0 HD11 ILE A 59 36.159 30.317 21.344 1.00 0.00 H new ATOM 0 HD12 ILE A 59 36.861 30.119 22.967 1.00 0.00 H new ATOM 0 HD13 ILE A 59 35.254 29.446 22.604 1.00 0.00 H new ATOM 734 N HIS A 60 33.139 33.059 26.801 1.00 0.00 N ATOM 735 CA HIS A 60 32.957 33.008 28.218 1.00 0.00 C ATOM 736 C HIS A 60 31.830 32.089 28.544 1.00 0.00 C ATOM 737 O HIS A 60 31.093 31.634 27.671 1.00 0.00 O ATOM 738 CB HIS A 60 32.679 34.417 28.766 1.00 0.00 C ATOM 739 CG HIS A 60 33.107 34.640 30.186 1.00 0.00 C ATOM 740 ND1 HIS A 60 34.430 34.739 30.568 1.00 0.00 N ATOM 741 CD2 HIS A 60 32.381 34.819 31.321 1.00 0.00 C ATOM 742 CE1 HIS A 60 34.437 34.974 31.907 1.00 0.00 C ATOM 743 NE2 HIS A 60 33.215 35.014 32.404 1.00 0.00 N ATOM 0 H HIS A 60 32.260 33.048 26.284 1.00 0.00 H new ATOM 0 HA HIS A 60 33.867 32.631 28.685 1.00 0.00 H new ATOM 0 HB2 HIS A 60 33.185 35.144 28.131 1.00 0.00 H new ATOM 0 HB3 HIS A 60 31.610 34.616 28.689 1.00 0.00 H new ATOM 0 HD2 HIS A 60 31.302 34.810 31.369 1.00 0.00 H new ATOM 0 HE1 HIS A 60 35.334 35.111 32.493 1.00 0.00 H new ATOM 0 HE2 HIS A 60 32.945 35.158 33.377 1.00 0.00 H new ATOM 751 N LYS A 61 31.604 31.741 29.823 1.00 0.00 N ATOM 752 CA LYS A 61 30.508 30.893 30.180 1.00 0.00 C ATOM 753 C LYS A 61 29.172 31.512 29.953 1.00 0.00 C ATOM 754 O LYS A 61 28.966 32.709 30.141 1.00 0.00 O ATOM 755 CB LYS A 61 30.605 30.322 31.604 1.00 0.00 C ATOM 756 CG LYS A 61 30.198 31.295 32.712 1.00 0.00 C ATOM 757 CD LYS A 61 30.562 30.813 34.117 1.00 0.00 C ATOM 758 CE LYS A 61 29.825 31.579 35.217 1.00 0.00 C ATOM 759 NZ LYS A 61 30.027 33.037 35.064 1.00 0.00 N ATOM 0 H LYS A 61 32.178 32.046 30.609 1.00 0.00 H new ATOM 0 HA LYS A 61 30.597 30.055 29.489 1.00 0.00 H new ATOM 0 HB2 LYS A 61 29.975 29.435 31.669 1.00 0.00 H new ATOM 0 HB3 LYS A 61 31.631 29.998 31.782 1.00 0.00 H new ATOM 0 HG2 LYS A 61 30.677 32.258 32.532 1.00 0.00 H new ATOM 0 HG3 LYS A 61 29.122 31.460 32.661 1.00 0.00 H new ATOM 0 HD2 LYS A 61 30.331 29.751 34.203 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.637 30.918 34.265 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.760 31.348 35.177 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.185 31.258 36.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 29.666 33.528 35.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 31.042 33.237 34.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 29.516 33.372 34.223 1.00 0.00 H new ATOM 773 N GLY A 62 28.213 30.698 29.475 1.00 0.00 N ATOM 774 CA GLY A 62 26.932 31.156 29.036 1.00 0.00 C ATOM 775 C GLY A 62 26.849 31.338 27.559 1.00 0.00 C ATOM 776 O GLY A 62 25.756 31.525 27.027 1.00 0.00 O ATOM 0 H GLY A 62 28.334 29.689 29.392 1.00 0.00 H new ATOM 0 HA2 GLY A 62 26.170 30.443 29.351 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.704 32.103 29.526 1.00 0.00 H new ATOM 780 N ASP A 63 27.977 31.293 26.829 1.00 0.00 N ATOM 781 CA ASP A 63 27.959 31.518 25.416 1.00 0.00 C ATOM 782 C ASP A 63 27.520 30.313 24.658 1.00 0.00 C ATOM 783 O ASP A 63 27.629 29.180 25.126 1.00 0.00 O ATOM 784 CB ASP A 63 29.322 32.040 24.929 1.00 0.00 C ATOM 785 CG ASP A 63 29.644 33.411 25.503 1.00 0.00 C ATOM 786 OD1 ASP A 63 28.728 34.120 26.001 1.00 0.00 O ATOM 787 OD2 ASP A 63 30.831 33.829 25.450 1.00 0.00 O ATOM 0 H ASP A 63 28.901 31.101 27.216 1.00 0.00 H new ATOM 0 HA ASP A 63 27.216 32.290 25.216 1.00 0.00 H new ATOM 0 HB2 ASP A 63 30.103 31.335 25.214 1.00 0.00 H new ATOM 0 HB3 ASP A 63 29.322 32.093 23.840 1.00 0.00 H new ATOM 792 N ARG A 64 26.962 30.506 23.450 1.00 0.00 N ATOM 793 CA ARG A 64 26.391 29.481 22.631 1.00 0.00 C ATOM 794 C ARG A 64 27.383 29.044 21.609 1.00 0.00 C ATOM 795 O ARG A 64 27.886 29.848 20.825 1.00 0.00 O ATOM 796 CB ARG A 64 25.135 30.025 21.929 1.00 0.00 C ATOM 797 CG ARG A 64 24.468 29.105 20.905 1.00 0.00 C ATOM 798 CD ARG A 64 23.468 29.823 19.996 1.00 0.00 C ATOM 799 NE ARG A 64 22.975 28.805 19.026 1.00 0.00 N ATOM 800 CZ ARG A 64 22.730 29.018 17.700 1.00 0.00 C ATOM 801 NH1 ARG A 64 22.794 30.243 17.101 1.00 0.00 N ATOM 802 NH2 ARG A 64 22.421 27.933 16.932 1.00 0.00 N ATOM 0 H ARG A 64 26.906 31.429 23.020 1.00 0.00 H new ATOM 0 HA ARG A 64 26.119 28.630 23.255 1.00 0.00 H new ATOM 0 HB2 ARG A 64 24.399 30.274 22.693 1.00 0.00 H new ATOM 0 HB3 ARG A 64 25.401 30.956 21.428 1.00 0.00 H new ATOM 0 HG2 ARG A 64 25.239 28.642 20.289 1.00 0.00 H new ATOM 0 HG3 ARG A 64 23.955 28.301 21.432 1.00 0.00 H new ATOM 0 HD2 ARG A 64 22.644 30.238 20.576 1.00 0.00 H new ATOM 0 HD3 ARG A 64 23.943 30.656 19.477 1.00 0.00 H new ATOM 0 HE ARG A 64 22.805 27.865 19.385 1.00 0.00 H new ATOM 0 HH11 ARG A 64 23.037 31.067 17.650 1.00 0.00 H new ATOM 0 HH12 ARG A 64 22.599 30.334 16.104 1.00 0.00 H new ATOM 0 HH21 ARG A 64 22.380 27.005 17.353 1.00 0.00 H new ATOM 0 HH22 ARG A 64 22.231 28.050 15.937 1.00 0.00 H new ATOM 816 N VAL A 65 27.717 27.743 21.546 1.00 0.00 N ATOM 817 CA VAL A 65 28.686 27.249 20.616 1.00 0.00 C ATOM 818 C VAL A 65 28.028 26.900 19.325 1.00 0.00 C ATOM 819 O VAL A 65 27.006 26.217 19.293 1.00 0.00 O ATOM 820 CB VAL A 65 29.462 26.080 21.146 1.00 0.00 C ATOM 821 CG1 VAL A 65 30.708 25.843 20.276 1.00 0.00 C ATOM 822 CG2 VAL A 65 29.891 26.348 22.598 1.00 0.00 C ATOM 0 H VAL A 65 27.311 27.025 22.146 1.00 0.00 H new ATOM 0 HA VAL A 65 29.407 28.050 20.452 1.00 0.00 H new ATOM 0 HB VAL A 65 28.828 25.194 21.118 1.00 0.00 H new ATOM 0 HG11 VAL A 65 31.268 24.993 20.666 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.402 25.636 19.250 1.00 0.00 H new ATOM 0 HG13 VAL A 65 31.339 26.732 20.294 1.00 0.00 H new ATOM 0 HG21 VAL A 65 30.454 25.494 22.975 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.517 27.240 22.634 1.00 0.00 H new ATOM 0 HG23 VAL A 65 29.007 26.501 23.216 1.00 0.00 H new ATOM 832 N LEU A 66 28.580 27.377 18.195 1.00 0.00 N ATOM 833 CA LEU A 66 28.029 27.153 16.894 1.00 0.00 C ATOM 834 C LEU A 66 28.734 26.038 16.200 1.00 0.00 C ATOM 835 O LEU A 66 28.090 25.110 15.713 1.00 0.00 O ATOM 836 CB LEU A 66 28.094 28.414 16.016 1.00 0.00 C ATOM 837 CG LEU A 66 26.818 29.273 15.989 1.00 0.00 C ATOM 838 CD1 LEU A 66 25.669 28.572 15.246 1.00 0.00 C ATOM 839 CD2 LEU A 66 26.375 29.727 17.390 1.00 0.00 C ATOM 0 H LEU A 66 29.434 27.935 18.186 1.00 0.00 H new ATOM 0 HA LEU A 66 26.982 26.887 17.042 1.00 0.00 H new ATOM 0 HB2 LEU A 66 28.920 29.034 16.363 1.00 0.00 H new ATOM 0 HB3 LEU A 66 28.329 28.112 14.995 1.00 0.00 H new ATOM 0 HG LEU A 66 27.076 30.173 15.431 1.00 0.00 H new ATOM 0 HD11 LEU A 66 24.788 29.213 15.251 1.00 0.00 H new ATOM 0 HD12 LEU A 66 25.968 28.374 14.217 1.00 0.00 H new ATOM 0 HD13 LEU A 66 25.435 27.630 15.743 1.00 0.00 H new ATOM 0 HD21 LEU A 66 25.470 30.329 17.308 1.00 0.00 H new ATOM 0 HD22 LEU A 66 26.174 28.853 18.009 1.00 0.00 H new ATOM 0 HD23 LEU A 66 27.166 30.321 17.847 1.00 0.00 H new ATOM 851 N ALA A 67 30.075 26.076 16.110 1.00 0.00 N ATOM 852 CA ALA A 67 30.790 25.116 15.327 1.00 0.00 C ATOM 853 C ALA A 67 32.162 24.854 15.844 1.00 0.00 C ATOM 854 O ALA A 67 32.843 25.749 16.343 1.00 0.00 O ATOM 855 CB ALA A 67 30.906 25.579 13.865 1.00 0.00 C ATOM 0 H ALA A 67 30.662 26.767 16.577 1.00 0.00 H new ATOM 0 HA ALA A 67 30.214 24.193 15.392 1.00 0.00 H new ATOM 0 HB1 ALA A 67 31.454 24.833 13.289 1.00 0.00 H new ATOM 0 HB2 ALA A 67 29.909 25.703 13.443 1.00 0.00 H new ATOM 0 HB3 ALA A 67 31.438 26.530 13.826 1.00 0.00 H new ATOM 861 N VAL A 68 32.610 23.591 15.731 1.00 0.00 N ATOM 862 CA VAL A 68 33.952 23.197 16.025 1.00 0.00 C ATOM 863 C VAL A 68 34.613 22.762 14.762 1.00 0.00 C ATOM 864 O VAL A 68 34.255 21.741 14.179 1.00 0.00 O ATOM 865 CB VAL A 68 34.055 22.080 17.022 1.00 0.00 C ATOM 866 CG1 VAL A 68 35.506 21.972 17.521 1.00 0.00 C ATOM 867 CG2 VAL A 68 33.091 22.290 18.201 1.00 0.00 C ATOM 0 H VAL A 68 32.018 22.819 15.425 1.00 0.00 H new ATOM 0 HA VAL A 68 34.439 24.065 16.469 1.00 0.00 H new ATOM 0 HB VAL A 68 33.771 21.149 16.532 1.00 0.00 H new ATOM 0 HG11 VAL A 68 35.582 21.161 18.245 1.00 0.00 H new ATOM 0 HG12 VAL A 68 36.166 21.769 16.678 1.00 0.00 H new ATOM 0 HG13 VAL A 68 35.799 22.909 17.994 1.00 0.00 H new ATOM 0 HG21 VAL A 68 33.191 21.463 18.904 1.00 0.00 H new ATOM 0 HG22 VAL A 68 33.331 23.226 18.705 1.00 0.00 H new ATOM 0 HG23 VAL A 68 32.067 22.329 17.831 1.00 0.00 H new ATOM 877 N ASN A 69 35.606 23.519 14.263 1.00 0.00 N ATOM 878 CA ASN A 69 36.358 23.258 13.075 1.00 0.00 C ATOM 879 C ASN A 69 35.544 23.346 11.829 1.00 0.00 C ATOM 880 O ASN A 69 35.720 22.582 10.882 1.00 0.00 O ATOM 881 CB ASN A 69 37.148 21.941 13.159 1.00 0.00 C ATOM 882 CG ASN A 69 38.435 22.001 12.348 1.00 0.00 C ATOM 883 OD1 ASN A 69 38.511 21.573 11.197 1.00 0.00 O ATOM 884 ND2 ASN A 69 39.502 22.562 12.975 1.00 0.00 N ATOM 0 H ASN A 69 35.905 24.378 14.726 1.00 0.00 H new ATOM 0 HA ASN A 69 37.089 24.064 13.010 1.00 0.00 H new ATOM 0 HB2 ASN A 69 37.385 21.725 14.201 1.00 0.00 H new ATOM 0 HB3 ASN A 69 36.528 21.121 12.796 1.00 0.00 H new ATOM 0 HD21 ASN A 69 40.397 22.637 12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 69 39.408 22.908 13.930 1.00 0.00 H new ATOM 891 N GLY A 70 34.572 24.274 11.771 1.00 0.00 N ATOM 892 CA GLY A 70 33.656 24.394 10.678 1.00 0.00 C ATOM 893 C GLY A 70 32.532 23.417 10.712 1.00 0.00 C ATOM 894 O GLY A 70 31.621 23.490 9.890 1.00 0.00 O ATOM 0 H GLY A 70 34.418 24.963 12.507 1.00 0.00 H new ATOM 0 HA2 GLY A 70 33.245 25.403 10.673 1.00 0.00 H new ATOM 0 HA3 GLY A 70 34.204 24.268 9.744 1.00 0.00 H new ATOM 898 N VAL A 71 32.552 22.467 11.663 1.00 0.00 N ATOM 899 CA VAL A 71 31.547 21.467 11.854 1.00 0.00 C ATOM 900 C VAL A 71 30.514 22.006 12.782 1.00 0.00 C ATOM 901 O VAL A 71 30.735 22.127 13.986 1.00 0.00 O ATOM 902 CB VAL A 71 32.090 20.171 12.378 1.00 0.00 C ATOM 903 CG1 VAL A 71 31.018 19.072 12.282 1.00 0.00 C ATOM 904 CG2 VAL A 71 33.347 19.769 11.586 1.00 0.00 C ATOM 0 H VAL A 71 33.313 22.392 12.338 1.00 0.00 H new ATOM 0 HA VAL A 71 31.116 21.238 10.879 1.00 0.00 H new ATOM 0 HB VAL A 71 32.364 20.297 13.425 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.422 18.135 12.665 1.00 0.00 H new ATOM 0 HG12 VAL A 71 30.148 19.360 12.872 1.00 0.00 H new ATOM 0 HG13 VAL A 71 30.723 18.941 11.241 1.00 0.00 H new ATOM 0 HG21 VAL A 71 33.735 18.827 11.973 1.00 0.00 H new ATOM 0 HG22 VAL A 71 33.091 19.651 10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 71 34.106 20.544 11.690 1.00 0.00 H new ATOM 914 N SER A 72 29.339 22.399 12.258 1.00 0.00 N ATOM 915 CA SER A 72 28.325 23.020 13.053 1.00 0.00 C ATOM 916 C SER A 72 27.651 22.060 13.971 1.00 0.00 C ATOM 917 O SER A 72 27.380 20.909 13.633 1.00 0.00 O ATOM 918 CB SER A 72 27.243 23.752 12.241 1.00 0.00 C ATOM 919 OG SER A 72 27.805 24.829 11.506 1.00 0.00 O ATOM 0 H SER A 72 29.090 22.285 11.275 1.00 0.00 H new ATOM 0 HA SER A 72 28.876 23.763 13.629 1.00 0.00 H new ATOM 0 HB2 SER A 72 26.760 23.053 11.558 1.00 0.00 H new ATOM 0 HB3 SER A 72 26.471 24.128 12.912 1.00 0.00 H new ATOM 0 HG SER A 72 27.100 25.280 10.996 1.00 0.00 H new ATOM 925 N LEU A 73 27.373 22.511 15.207 1.00 0.00 N ATOM 926 CA LEU A 73 26.935 21.675 16.282 1.00 0.00 C ATOM 927 C LEU A 73 25.453 21.539 16.365 1.00 0.00 C ATOM 928 O LEU A 73 24.949 20.815 17.222 1.00 0.00 O ATOM 929 CB LEU A 73 27.444 22.209 17.631 1.00 0.00 C ATOM 930 CG LEU A 73 28.970 22.129 17.809 1.00 0.00 C ATOM 931 CD1 LEU A 73 29.366 22.852 19.108 1.00 0.00 C ATOM 932 CD2 LEU A 73 29.485 20.680 17.833 1.00 0.00 C ATOM 0 H LEU A 73 27.456 23.494 15.468 1.00 0.00 H new ATOM 0 HA LEU A 73 27.353 20.691 16.069 1.00 0.00 H new ATOM 0 HB2 LEU A 73 27.131 23.248 17.738 1.00 0.00 H new ATOM 0 HB3 LEU A 73 26.966 21.648 18.434 1.00 0.00 H new ATOM 0 HG LEU A 73 29.432 22.614 16.949 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.447 22.798 19.239 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.059 23.896 19.051 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.874 22.374 19.955 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.567 20.681 17.961 1.00 0.00 H new ATOM 0 HD22 LEU A 73 29.022 20.143 18.661 1.00 0.00 H new ATOM 0 HD23 LEU A 73 29.231 20.188 16.894 1.00 0.00 H new ATOM 944 N GLU A 74 24.671 22.214 15.504 1.00 0.00 N ATOM 945 CA GLU A 74 23.241 22.217 15.549 1.00 0.00 C ATOM 946 C GLU A 74 22.623 20.903 15.214 1.00 0.00 C ATOM 947 O GLU A 74 22.595 20.449 14.072 1.00 0.00 O ATOM 948 CB GLU A 74 22.645 23.375 14.731 1.00 0.00 C ATOM 949 CG GLU A 74 23.145 23.487 13.290 1.00 0.00 C ATOM 950 CD GLU A 74 22.471 24.580 12.473 1.00 0.00 C ATOM 951 OE1 GLU A 74 22.381 25.747 12.941 1.00 0.00 O ATOM 952 OE2 GLU A 74 22.070 24.284 11.316 1.00 0.00 O ATOM 0 H GLU A 74 25.050 22.781 14.745 1.00 0.00 H new ATOM 0 HA GLU A 74 22.980 22.390 16.593 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.561 23.265 14.714 1.00 0.00 H new ATOM 0 HB3 GLU A 74 22.862 24.311 15.246 1.00 0.00 H new ATOM 0 HG2 GLU A 74 24.219 23.671 13.304 1.00 0.00 H new ATOM 0 HG3 GLU A 74 22.992 22.530 12.790 1.00 0.00 H new ATOM 959 N GLY A 75 22.126 20.207 16.252 1.00 0.00 N ATOM 960 CA GLY A 75 21.588 18.884 16.182 1.00 0.00 C ATOM 961 C GLY A 75 22.389 17.889 16.950 1.00 0.00 C ATOM 962 O GLY A 75 21.891 16.820 17.299 1.00 0.00 O ATOM 0 H GLY A 75 22.098 20.592 17.196 1.00 0.00 H new ATOM 0 HA2 GLY A 75 20.567 18.892 16.563 1.00 0.00 H new ATOM 0 HA3 GLY A 75 21.536 18.573 15.139 1.00 0.00 H new ATOM 966 N ALA A 76 23.668 18.197 17.227 1.00 0.00 N ATOM 967 CA ALA A 76 24.571 17.369 17.964 1.00 0.00 C ATOM 968 C ALA A 76 24.314 17.300 19.430 1.00 0.00 C ATOM 969 O ALA A 76 23.756 18.202 20.054 1.00 0.00 O ATOM 970 CB ALA A 76 26.026 17.794 17.704 1.00 0.00 C ATOM 0 H ALA A 76 24.095 19.071 16.920 1.00 0.00 H new ATOM 0 HA ALA A 76 24.394 16.360 17.591 1.00 0.00 H new ATOM 0 HB1 ALA A 76 26.699 17.153 18.273 1.00 0.00 H new ATOM 0 HB2 ALA A 76 26.248 17.701 16.641 1.00 0.00 H new ATOM 0 HB3 ALA A 76 26.163 18.830 18.014 1.00 0.00 H new ATOM 976 N THR A 77 24.733 16.189 20.062 1.00 0.00 N ATOM 977 CA THR A 77 24.575 15.941 21.461 1.00 0.00 C ATOM 978 C THR A 77 25.747 16.390 22.264 1.00 0.00 C ATOM 979 O THR A 77 26.764 16.845 21.744 1.00 0.00 O ATOM 980 CB THR A 77 24.300 14.497 21.764 1.00 0.00 C ATOM 981 OG1 THR A 77 25.353 13.651 21.329 1.00 0.00 O ATOM 982 CG2 THR A 77 23.016 14.080 21.029 1.00 0.00 C ATOM 0 H THR A 77 25.204 15.428 19.574 1.00 0.00 H new ATOM 0 HA THR A 77 23.707 16.533 21.750 1.00 0.00 H new ATOM 0 HB THR A 77 24.201 14.393 22.845 1.00 0.00 H new ATOM 0 HG1 THR A 77 25.136 12.720 21.546 1.00 0.00 H new ATOM 0 HG21 THR A 77 22.801 13.032 21.238 1.00 0.00 H new ATOM 0 HG22 THR A 77 22.185 14.696 21.371 1.00 0.00 H new ATOM 0 HG23 THR A 77 23.151 14.215 19.956 1.00 0.00 H new ATOM 990 N HIS A 78 25.647 16.249 23.599 1.00 0.00 N ATOM 991 CA HIS A 78 26.689 16.476 24.552 1.00 0.00 C ATOM 992 C HIS A 78 27.903 15.659 24.270 1.00 0.00 C ATOM 993 O HIS A 78 29.005 16.191 24.146 1.00 0.00 O ATOM 994 CB HIS A 78 26.185 16.152 25.969 1.00 0.00 C ATOM 995 CG HIS A 78 27.123 16.458 27.098 1.00 0.00 C ATOM 996 ND1 HIS A 78 28.142 15.630 27.522 1.00 0.00 N ATOM 997 CD2 HIS A 78 27.139 17.526 27.940 1.00 0.00 C ATOM 998 CE1 HIS A 78 28.722 16.239 28.591 1.00 0.00 C ATOM 999 NE2 HIS A 78 28.134 17.383 28.885 1.00 0.00 N ATOM 0 H HIS A 78 24.776 15.956 24.042 1.00 0.00 H new ATOM 0 HA HIS A 78 26.966 17.528 24.477 1.00 0.00 H new ATOM 0 HB2 HIS A 78 25.259 16.702 26.136 1.00 0.00 H new ATOM 0 HB3 HIS A 78 25.937 15.091 26.009 1.00 0.00 H new ATOM 0 HD2 HIS A 78 26.466 18.369 27.878 1.00 0.00 H new ATOM 0 HE1 HIS A 78 29.563 15.835 29.134 1.00 0.00 H new ATOM 0 HE2 HIS A 78 28.365 18.022 29.645 1.00 0.00 H new ATOM 1007 N LYS A 79 27.734 14.333 24.125 1.00 0.00 N ATOM 1008 CA LYS A 79 28.779 13.411 23.803 1.00 0.00 C ATOM 1009 C LYS A 79 29.514 13.757 22.555 1.00 0.00 C ATOM 1010 O LYS A 79 30.742 13.818 22.559 1.00 0.00 O ATOM 1011 CB LYS A 79 28.190 11.992 23.718 1.00 0.00 C ATOM 1012 CG LYS A 79 29.168 10.841 23.470 1.00 0.00 C ATOM 1013 CD LYS A 79 30.157 10.607 24.613 1.00 0.00 C ATOM 1014 CE LYS A 79 31.086 9.410 24.410 1.00 0.00 C ATOM 1015 NZ LYS A 79 30.358 8.123 24.499 1.00 0.00 N ATOM 0 H LYS A 79 26.826 13.882 24.238 1.00 0.00 H new ATOM 0 HA LYS A 79 29.519 13.465 24.601 1.00 0.00 H new ATOM 0 HB2 LYS A 79 27.660 11.790 24.649 1.00 0.00 H new ATOM 0 HB3 LYS A 79 27.448 11.982 22.920 1.00 0.00 H new ATOM 0 HG2 LYS A 79 28.601 9.926 23.301 1.00 0.00 H new ATOM 0 HG3 LYS A 79 29.726 11.043 22.556 1.00 0.00 H new ATOM 0 HD2 LYS A 79 30.763 11.504 24.742 1.00 0.00 H new ATOM 0 HD3 LYS A 79 29.598 10.464 25.538 1.00 0.00 H new ATOM 0 HE2 LYS A 79 31.569 9.487 23.436 1.00 0.00 H new ATOM 0 HE3 LYS A 79 31.876 9.433 25.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 31.032 7.336 24.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 29.876 8.060 25.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 29.655 8.068 23.735 1.00 0.00 H new ATOM 1029 N GLN A 80 28.805 14.083 21.459 1.00 0.00 N ATOM 1030 CA GLN A 80 29.381 14.479 20.212 1.00 0.00 C ATOM 1031 C GLN A 80 30.272 15.672 20.283 1.00 0.00 C ATOM 1032 O GLN A 80 31.424 15.641 19.854 1.00 0.00 O ATOM 1033 CB GLN A 80 28.252 14.701 19.191 1.00 0.00 C ATOM 1034 CG GLN A 80 28.518 14.132 17.795 1.00 0.00 C ATOM 1035 CD GLN A 80 29.751 14.712 17.117 1.00 0.00 C ATOM 1036 OE1 GLN A 80 30.843 14.147 17.152 1.00 0.00 O ATOM 1037 NE2 GLN A 80 29.578 15.890 16.462 1.00 0.00 N ATOM 0 H GLN A 80 27.785 14.070 21.442 1.00 0.00 H new ATOM 0 HA GLN A 80 30.037 13.666 19.900 1.00 0.00 H new ATOM 0 HB2 GLN A 80 27.338 14.254 19.581 1.00 0.00 H new ATOM 0 HB3 GLN A 80 28.070 15.772 19.101 1.00 0.00 H new ATOM 0 HG2 GLN A 80 28.632 13.051 17.870 1.00 0.00 H new ATOM 0 HG3 GLN A 80 27.648 14.318 17.166 1.00 0.00 H new ATOM 0 HE21 GLN A 80 28.661 16.337 16.449 1.00 0.00 H new ATOM 0 HE22 GLN A 80 30.365 16.328 15.983 1.00 0.00 H new ATOM 1046 N ALA A 81 29.796 16.780 20.878 1.00 0.00 N ATOM 1047 CA ALA A 81 30.549 17.979 21.083 1.00 0.00 C ATOM 1048 C ALA A 81 31.703 17.834 22.014 1.00 0.00 C ATOM 1049 O ALA A 81 32.769 18.404 21.786 1.00 0.00 O ATOM 1050 CB ALA A 81 29.604 19.069 21.617 1.00 0.00 C ATOM 0 H ALA A 81 28.842 16.843 21.233 1.00 0.00 H new ATOM 0 HA ALA A 81 30.976 18.244 20.116 1.00 0.00 H new ATOM 0 HB1 ALA A 81 30.165 19.990 21.778 1.00 0.00 H new ATOM 0 HB2 ALA A 81 28.810 19.250 20.892 1.00 0.00 H new ATOM 0 HB3 ALA A 81 29.166 18.741 22.560 1.00 0.00 H new ATOM 1056 N VAL A 82 31.578 17.027 23.083 1.00 0.00 N ATOM 1057 CA VAL A 82 32.632 16.786 24.018 1.00 0.00 C ATOM 1058 C VAL A 82 33.693 15.915 23.437 1.00 0.00 C ATOM 1059 O VAL A 82 34.884 16.188 23.583 1.00 0.00 O ATOM 1060 CB VAL A 82 32.156 16.286 25.350 1.00 0.00 C ATOM 1061 CG1 VAL A 82 33.333 15.968 26.287 1.00 0.00 C ATOM 1062 CG2 VAL A 82 31.312 17.390 26.010 1.00 0.00 C ATOM 0 H VAL A 82 30.717 16.527 23.303 1.00 0.00 H new ATOM 0 HA VAL A 82 33.078 17.760 24.221 1.00 0.00 H new ATOM 0 HB VAL A 82 31.580 15.375 25.188 1.00 0.00 H new ATOM 0 HG11 VAL A 82 32.951 15.609 27.242 1.00 0.00 H new ATOM 0 HG12 VAL A 82 33.961 15.200 25.835 1.00 0.00 H new ATOM 0 HG13 VAL A 82 33.923 16.870 26.449 1.00 0.00 H new ATOM 0 HG21 VAL A 82 30.956 17.045 26.981 1.00 0.00 H new ATOM 0 HG22 VAL A 82 31.922 18.283 26.144 1.00 0.00 H new ATOM 0 HG23 VAL A 82 30.459 17.625 25.374 1.00 0.00 H new ATOM 1072 N GLU A 83 33.326 14.871 22.674 1.00 0.00 N ATOM 1073 CA GLU A 83 34.247 14.100 21.897 1.00 0.00 C ATOM 1074 C GLU A 83 34.999 14.945 20.928 1.00 0.00 C ATOM 1075 O GLU A 83 36.222 14.861 20.819 1.00 0.00 O ATOM 1076 CB GLU A 83 33.553 12.970 21.117 1.00 0.00 C ATOM 1077 CG GLU A 83 33.025 11.812 21.965 1.00 0.00 C ATOM 1078 CD GLU A 83 34.022 10.683 22.177 1.00 0.00 C ATOM 1079 OE1 GLU A 83 34.084 9.777 21.303 1.00 0.00 O ATOM 1080 OE2 GLU A 83 34.704 10.651 23.237 1.00 0.00 O ATOM 0 H GLU A 83 32.360 14.553 22.595 1.00 0.00 H new ATOM 0 HA GLU A 83 34.939 13.664 22.618 1.00 0.00 H new ATOM 0 HB2 GLU A 83 32.721 13.397 20.557 1.00 0.00 H new ATOM 0 HB3 GLU A 83 34.257 12.571 20.387 1.00 0.00 H new ATOM 0 HG2 GLU A 83 32.721 12.199 22.937 1.00 0.00 H new ATOM 0 HG3 GLU A 83 32.132 11.407 21.489 1.00 0.00 H new ATOM 1087 N THR A 84 34.282 15.842 20.228 1.00 0.00 N ATOM 1088 CA THR A 84 34.785 16.782 19.274 1.00 0.00 C ATOM 1089 C THR A 84 35.753 17.771 19.827 1.00 0.00 C ATOM 1090 O THR A 84 36.800 17.982 19.217 1.00 0.00 O ATOM 1091 CB THR A 84 33.670 17.470 18.543 1.00 0.00 C ATOM 1092 OG1 THR A 84 32.935 16.522 17.784 1.00 0.00 O ATOM 1093 CG2 THR A 84 34.147 18.510 17.516 1.00 0.00 C ATOM 0 H THR A 84 33.271 15.915 20.339 1.00 0.00 H new ATOM 0 HA THR A 84 35.358 16.184 18.566 1.00 0.00 H new ATOM 0 HB THR A 84 33.087 17.960 19.322 1.00 0.00 H new ATOM 0 HG1 THR A 84 32.365 15.995 18.382 1.00 0.00 H new ATOM 0 HG21 THR A 84 33.283 18.964 17.029 1.00 0.00 H new ATOM 0 HG22 THR A 84 34.725 19.283 18.022 1.00 0.00 H new ATOM 0 HG23 THR A 84 34.771 18.022 16.767 1.00 0.00 H new ATOM 1101 N LEU A 85 35.514 18.428 20.975 1.00 0.00 N ATOM 1102 CA LEU A 85 36.420 19.400 21.504 1.00 0.00 C ATOM 1103 C LEU A 85 37.661 18.815 22.085 1.00 0.00 C ATOM 1104 O LEU A 85 38.738 19.406 22.025 1.00 0.00 O ATOM 1105 CB LEU A 85 35.712 20.435 22.393 1.00 0.00 C ATOM 1106 CG LEU A 85 35.920 20.390 23.916 1.00 0.00 C ATOM 1107 CD1 LEU A 85 35.822 21.802 24.518 1.00 0.00 C ATOM 1108 CD2 LEU A 85 34.928 19.469 24.645 1.00 0.00 C ATOM 0 H LEU A 85 34.680 18.283 21.545 1.00 0.00 H new ATOM 0 HA LEU A 85 36.792 19.968 20.652 1.00 0.00 H new ATOM 0 HB2 LEU A 85 36.017 21.424 22.050 1.00 0.00 H new ATOM 0 HB3 LEU A 85 34.642 20.349 22.206 1.00 0.00 H new ATOM 0 HG LEU A 85 36.918 19.978 24.064 1.00 0.00 H new ATOM 0 HD11 LEU A 85 35.972 21.749 25.596 1.00 0.00 H new ATOM 0 HD12 LEU A 85 36.587 22.440 24.076 1.00 0.00 H new ATOM 0 HD13 LEU A 85 34.837 22.219 24.309 1.00 0.00 H new ATOM 0 HD21 LEU A 85 35.134 19.487 25.715 1.00 0.00 H new ATOM 0 HD22 LEU A 85 33.910 19.816 24.466 1.00 0.00 H new ATOM 0 HD23 LEU A 85 35.035 18.451 24.272 1.00 0.00 H new ATOM 1120 N ARG A 86 37.577 17.591 22.636 1.00 0.00 N ATOM 1121 CA ARG A 86 38.707 16.815 23.040 1.00 0.00 C ATOM 1122 C ARG A 86 39.544 16.422 21.871 1.00 0.00 C ATOM 1123 O ARG A 86 40.771 16.483 21.913 1.00 0.00 O ATOM 1124 CB ARG A 86 38.258 15.582 23.841 1.00 0.00 C ATOM 1125 CG ARG A 86 38.379 15.669 25.365 1.00 0.00 C ATOM 1126 CD ARG A 86 37.703 16.849 26.067 1.00 0.00 C ATOM 1127 NE ARG A 86 38.689 17.965 26.132 1.00 0.00 N ATOM 1128 CZ ARG A 86 38.487 19.150 26.779 1.00 0.00 C ATOM 1129 NH1 ARG A 86 37.348 19.433 27.475 1.00 0.00 N ATOM 1130 NH2 ARG A 86 39.478 20.088 26.755 1.00 0.00 N ATOM 0 H ARG A 86 36.686 17.124 22.807 1.00 0.00 H new ATOM 0 HA ARG A 86 39.326 17.436 23.688 1.00 0.00 H new ATOM 0 HB2 ARG A 86 37.216 15.377 23.594 1.00 0.00 H new ATOM 0 HB3 ARG A 86 38.841 14.726 23.502 1.00 0.00 H new ATOM 0 HG2 ARG A 86 37.972 14.750 25.787 1.00 0.00 H new ATOM 0 HG3 ARG A 86 39.439 15.692 25.616 1.00 0.00 H new ATOM 0 HD2 ARG A 86 36.811 17.158 25.522 1.00 0.00 H new ATOM 0 HD3 ARG A 86 37.381 16.564 27.069 1.00 0.00 H new ATOM 0 HE ARG A 86 39.582 17.833 25.657 1.00 0.00 H new ATOM 0 HH11 ARG A 86 36.599 18.743 27.529 1.00 0.00 H new ATOM 0 HH12 ARG A 86 37.246 20.334 27.941 1.00 0.00 H new ATOM 0 HH21 ARG A 86 40.349 19.897 26.260 1.00 0.00 H new ATOM 0 HH22 ARG A 86 39.347 20.980 27.232 1.00 0.00 H new ATOM 1144 N ASN A 87 38.907 16.065 20.741 1.00 0.00 N ATOM 1145 CA ASN A 87 39.558 15.705 19.520 1.00 0.00 C ATOM 1146 C ASN A 87 39.801 16.901 18.665 1.00 0.00 C ATOM 1147 O ASN A 87 39.414 16.982 17.499 1.00 0.00 O ATOM 1148 CB ASN A 87 38.720 14.623 18.818 1.00 0.00 C ATOM 1149 CG ASN A 87 39.543 13.745 17.885 1.00 0.00 C ATOM 1150 OD1 ASN A 87 40.651 14.071 17.463 1.00 0.00 O ATOM 1151 ND2 ASN A 87 38.983 12.550 17.557 1.00 0.00 N ATOM 0 H ASN A 87 37.890 16.026 20.676 1.00 0.00 H new ATOM 0 HA ASN A 87 40.545 15.291 19.728 1.00 0.00 H new ATOM 0 HB2 ASN A 87 38.242 13.996 19.571 1.00 0.00 H new ATOM 0 HB3 ASN A 87 37.923 15.101 18.249 1.00 0.00 H new ATOM 0 HD21 ASN A 87 39.483 11.902 16.949 1.00 0.00 H new ATOM 0 HD22 ASN A 87 38.062 12.302 17.919 1.00 0.00 H new ATOM 1158 N THR A 88 40.495 17.909 19.222 1.00 0.00 N ATOM 1159 CA THR A 88 40.937 19.089 18.546 1.00 0.00 C ATOM 1160 C THR A 88 42.409 19.016 18.322 1.00 0.00 C ATOM 1161 O THR A 88 43.130 18.311 19.026 1.00 0.00 O ATOM 1162 CB THR A 88 40.629 20.374 19.255 1.00 0.00 C ATOM 1163 OG1 THR A 88 40.971 20.326 20.633 1.00 0.00 O ATOM 1164 CG2 THR A 88 39.125 20.679 19.156 1.00 0.00 C ATOM 0 H THR A 88 40.764 17.899 20.206 1.00 0.00 H new ATOM 0 HA THR A 88 40.380 19.109 17.609 1.00 0.00 H new ATOM 0 HB THR A 88 41.224 21.148 18.771 1.00 0.00 H new ATOM 0 HG1 THR A 88 40.207 19.991 21.148 1.00 0.00 H new ATOM 0 HG21 THR A 88 38.908 21.614 19.673 1.00 0.00 H new ATOM 0 HG22 THR A 88 38.840 20.770 18.108 1.00 0.00 H new ATOM 0 HG23 THR A 88 38.559 19.870 19.617 1.00 0.00 H new ATOM 1172 N GLY A 89 42.917 19.760 17.324 1.00 0.00 N ATOM 1173 CA GLY A 89 44.316 19.849 17.043 1.00 0.00 C ATOM 1174 C GLY A 89 44.996 20.852 17.909 1.00 0.00 C ATOM 1175 O GLY A 89 44.485 21.254 18.955 1.00 0.00 O ATOM 0 H GLY A 89 42.338 20.316 16.694 1.00 0.00 H new ATOM 0 HA2 GLY A 89 44.778 18.872 17.188 1.00 0.00 H new ATOM 0 HA3 GLY A 89 44.459 20.117 15.996 1.00 0.00 H new ATOM 1179 N GLN A 90 46.206 21.284 17.511 1.00 0.00 N ATOM 1180 CA GLN A 90 46.968 22.308 18.154 1.00 0.00 C ATOM 1181 C GLN A 90 46.358 23.653 17.952 1.00 0.00 C ATOM 1182 O GLN A 90 46.123 24.402 18.899 1.00 0.00 O ATOM 1183 CB GLN A 90 48.415 22.239 17.641 1.00 0.00 C ATOM 1184 CG GLN A 90 49.476 22.919 18.509 1.00 0.00 C ATOM 1185 CD GLN A 90 49.556 24.431 18.359 1.00 0.00 C ATOM 1186 OE1 GLN A 90 49.504 25.183 19.332 1.00 0.00 O ATOM 1187 NE2 GLN A 90 49.774 24.911 17.104 1.00 0.00 N ATOM 0 H GLN A 90 46.678 20.896 16.694 1.00 0.00 H new ATOM 0 HA GLN A 90 46.969 22.143 19.231 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.688 21.190 17.527 1.00 0.00 H new ATOM 0 HB3 GLN A 90 48.447 22.687 16.648 1.00 0.00 H new ATOM 0 HG2 GLN A 90 49.275 22.683 19.554 1.00 0.00 H new ATOM 0 HG3 GLN A 90 50.450 22.493 18.267 1.00 0.00 H new ATOM 0 HE21 GLN A 90 49.813 24.269 16.312 1.00 0.00 H new ATOM 0 HE22 GLN A 90 49.898 25.912 16.955 1.00 0.00 H new ATOM 1196 N VAL A 91 46.027 23.965 16.687 1.00 0.00 N ATOM 1197 CA VAL A 91 45.210 25.078 16.313 1.00 0.00 C ATOM 1198 C VAL A 91 43.809 24.593 16.165 1.00 0.00 C ATOM 1199 O VAL A 91 43.531 23.537 15.597 1.00 0.00 O ATOM 1200 CB VAL A 91 45.662 25.761 15.057 1.00 0.00 C ATOM 1201 CG1 VAL A 91 44.775 26.969 14.711 1.00 0.00 C ATOM 1202 CG2 VAL A 91 47.109 26.248 15.244 1.00 0.00 C ATOM 0 H VAL A 91 46.343 23.416 15.888 1.00 0.00 H new ATOM 0 HA VAL A 91 45.289 25.831 17.097 1.00 0.00 H new ATOM 0 HB VAL A 91 45.592 25.042 14.241 1.00 0.00 H new ATOM 0 HG11 VAL A 91 45.137 27.435 13.795 1.00 0.00 H new ATOM 0 HG12 VAL A 91 43.747 26.636 14.568 1.00 0.00 H new ATOM 0 HG13 VAL A 91 44.812 27.693 15.525 1.00 0.00 H new ATOM 0 HG21 VAL A 91 47.446 26.746 14.335 1.00 0.00 H new ATOM 0 HG22 VAL A 91 47.152 26.948 16.078 1.00 0.00 H new ATOM 0 HG23 VAL A 91 47.756 25.396 15.451 1.00 0.00 H new ATOM 1212 N VAL A 92 42.870 25.360 16.746 1.00 0.00 N ATOM 1213 CA VAL A 92 41.480 25.080 16.932 1.00 0.00 C ATOM 1214 C VAL A 92 40.705 26.194 16.316 1.00 0.00 C ATOM 1215 O VAL A 92 41.038 27.369 16.468 1.00 0.00 O ATOM 1216 CB VAL A 92 41.220 24.989 18.407 1.00 0.00 C ATOM 1217 CG1 VAL A 92 39.738 24.712 18.713 1.00 0.00 C ATOM 1218 CG2 VAL A 92 42.064 23.820 18.939 1.00 0.00 C ATOM 0 H VAL A 92 43.114 26.275 17.126 1.00 0.00 H new ATOM 0 HA VAL A 92 41.184 24.141 16.464 1.00 0.00 H new ATOM 0 HB VAL A 92 41.479 25.937 18.879 1.00 0.00 H new ATOM 0 HG11 VAL A 92 39.594 24.654 19.792 1.00 0.00 H new ATOM 0 HG12 VAL A 92 39.126 25.518 18.308 1.00 0.00 H new ATOM 0 HG13 VAL A 92 39.442 23.768 18.256 1.00 0.00 H new ATOM 0 HG21 VAL A 92 41.906 23.716 20.012 1.00 0.00 H new ATOM 0 HG22 VAL A 92 41.767 22.899 18.438 1.00 0.00 H new ATOM 0 HG23 VAL A 92 43.119 24.015 18.745 1.00 0.00 H new ATOM 1228 N HIS A 93 39.643 25.893 15.547 1.00 0.00 N ATOM 1229 CA HIS A 93 38.918 26.867 14.793 1.00 0.00 C ATOM 1230 C HIS A 93 37.478 26.860 15.179 1.00 0.00 C ATOM 1231 O HIS A 93 36.685 26.064 14.679 1.00 0.00 O ATOM 1232 CB HIS A 93 39.085 26.559 13.295 1.00 0.00 C ATOM 1233 CG HIS A 93 38.405 27.515 12.360 1.00 0.00 C ATOM 1234 ND1 HIS A 93 38.180 27.216 11.031 1.00 0.00 N ATOM 1235 CD2 HIS A 93 37.987 28.797 12.530 1.00 0.00 C ATOM 1236 CE1 HIS A 93 37.615 28.320 10.472 1.00 0.00 C ATOM 1237 NE2 HIS A 93 37.493 29.303 11.345 1.00 0.00 N ATOM 0 H HIS A 93 39.279 24.945 15.447 1.00 0.00 H new ATOM 0 HA HIS A 93 39.311 27.862 15.003 1.00 0.00 H new ATOM 0 HB2 HIS A 93 40.150 26.545 13.061 1.00 0.00 H new ATOM 0 HB3 HIS A 93 38.703 25.556 13.103 1.00 0.00 H new ATOM 0 HD2 HIS A 93 38.035 29.343 13.461 1.00 0.00 H new ATOM 0 HE1 HIS A 93 37.304 28.385 9.440 1.00 0.00 H new ATOM 0 HE2 HIS A 93 37.115 30.236 11.179 1.00 0.00 H new ATOM 1245 N LEU A 94 37.055 27.740 16.104 1.00 0.00 N ATOM 1246 CA LEU A 94 35.715 27.789 16.597 1.00 0.00 C ATOM 1247 C LEU A 94 34.876 28.848 15.969 1.00 0.00 C ATOM 1248 O LEU A 94 35.368 29.856 15.465 1.00 0.00 O ATOM 1249 CB LEU A 94 35.653 28.006 18.119 1.00 0.00 C ATOM 1250 CG LEU A 94 36.622 27.113 18.912 1.00 0.00 C ATOM 1251 CD1 LEU A 94 36.562 27.413 20.420 1.00 0.00 C ATOM 1252 CD2 LEU A 94 36.325 25.623 18.673 1.00 0.00 C ATOM 0 H LEU A 94 37.667 28.441 16.522 1.00 0.00 H new ATOM 0 HA LEU A 94 35.315 26.811 16.331 1.00 0.00 H new ATOM 0 HB2 LEU A 94 35.875 29.051 18.337 1.00 0.00 H new ATOM 0 HB3 LEU A 94 34.636 27.818 18.463 1.00 0.00 H new ATOM 0 HG LEU A 94 37.626 27.338 18.552 1.00 0.00 H new ATOM 0 HD11 LEU A 94 37.260 26.763 20.948 1.00 0.00 H new ATOM 0 HD12 LEU A 94 36.832 28.454 20.595 1.00 0.00 H new ATOM 0 HD13 LEU A 94 35.551 27.234 20.787 1.00 0.00 H new ATOM 0 HD21 LEU A 94 37.026 25.016 19.246 1.00 0.00 H new ATOM 0 HD22 LEU A 94 35.307 25.399 18.991 1.00 0.00 H new ATOM 0 HD23 LEU A 94 36.432 25.396 17.612 1.00 0.00 H new ATOM 1264 N LEU A 95 33.545 28.659 16.018 1.00 0.00 N ATOM 1265 CA LEU A 95 32.575 29.690 15.811 1.00 0.00 C ATOM 1266 C LEU A 95 31.662 29.653 16.988 1.00 0.00 C ATOM 1267 O LEU A 95 31.187 28.589 17.381 1.00 0.00 O ATOM 1268 CB LEU A 95 31.784 29.466 14.512 1.00 0.00 C ATOM 1269 CG LEU A 95 30.634 30.443 14.214 1.00 0.00 C ATOM 1270 CD1 LEU A 95 31.102 31.894 14.007 1.00 0.00 C ATOM 1271 CD2 LEU A 95 29.853 29.985 12.971 1.00 0.00 C ATOM 0 H LEU A 95 33.127 27.749 16.210 1.00 0.00 H new ATOM 0 HA LEU A 95 33.064 30.659 15.714 1.00 0.00 H new ATOM 0 HB2 LEU A 95 32.485 29.505 13.678 1.00 0.00 H new ATOM 0 HB3 LEU A 95 31.373 28.457 14.536 1.00 0.00 H new ATOM 0 HG LEU A 95 29.994 30.431 15.096 1.00 0.00 H new ATOM 0 HD11 LEU A 95 30.240 32.528 13.801 1.00 0.00 H new ATOM 0 HD12 LEU A 95 31.605 32.246 14.908 1.00 0.00 H new ATOM 0 HD13 LEU A 95 31.793 31.937 13.165 1.00 0.00 H new ATOM 0 HD21 LEU A 95 29.042 30.686 12.772 1.00 0.00 H new ATOM 0 HD22 LEU A 95 30.523 29.952 12.112 1.00 0.00 H new ATOM 0 HD23 LEU A 95 29.439 28.992 13.147 1.00 0.00 H new ATOM 1283 N LEU A 96 31.378 30.809 17.614 1.00 0.00 N ATOM 1284 CA LEU A 96 30.451 30.875 18.701 1.00 0.00 C ATOM 1285 C LEU A 96 29.638 32.123 18.640 1.00 0.00 C ATOM 1286 O LEU A 96 29.971 33.065 17.924 1.00 0.00 O ATOM 1287 CB LEU A 96 31.068 30.630 20.088 1.00 0.00 C ATOM 1288 CG LEU A 96 31.998 31.669 20.737 1.00 0.00 C ATOM 1289 CD1 LEU A 96 33.138 32.165 19.830 1.00 0.00 C ATOM 1290 CD2 LEU A 96 31.245 32.844 21.384 1.00 0.00 C ATOM 0 H LEU A 96 31.795 31.706 17.364 1.00 0.00 H new ATOM 0 HA LEU A 96 29.776 30.030 18.566 1.00 0.00 H new ATOM 0 HB2 LEU A 96 30.242 30.465 20.780 1.00 0.00 H new ATOM 0 HB3 LEU A 96 31.626 29.695 20.028 1.00 0.00 H new ATOM 0 HG LEU A 96 32.479 31.111 21.540 1.00 0.00 H new ATOM 0 HD11 LEU A 96 33.742 32.894 20.370 1.00 0.00 H new ATOM 0 HD12 LEU A 96 33.763 31.322 19.537 1.00 0.00 H new ATOM 0 HD13 LEU A 96 32.717 32.631 18.939 1.00 0.00 H new ATOM 0 HD21 LEU A 96 31.962 33.538 21.822 1.00 0.00 H new ATOM 0 HD22 LEU A 96 30.656 33.361 20.626 1.00 0.00 H new ATOM 0 HD23 LEU A 96 30.582 32.467 22.163 1.00 0.00 H new ATOM 1302 N GLU A 97 28.519 32.142 19.386 1.00 0.00 N ATOM 1303 CA GLU A 97 27.616 33.241 19.539 1.00 0.00 C ATOM 1304 C GLU A 97 27.621 33.651 20.972 1.00 0.00 C ATOM 1305 O GLU A 97 27.719 32.832 21.884 1.00 0.00 O ATOM 1306 CB GLU A 97 26.195 32.824 19.125 1.00 0.00 C ATOM 1307 CG GLU A 97 25.104 33.891 19.223 1.00 0.00 C ATOM 1308 CD GLU A 97 23.723 33.301 18.977 1.00 0.00 C ATOM 1309 OE1 GLU A 97 23.487 32.701 17.894 1.00 0.00 O ATOM 1310 OE2 GLU A 97 22.843 33.431 19.870 1.00 0.00 O ATOM 0 H GLU A 97 28.224 31.326 19.923 1.00 0.00 H new ATOM 0 HA GLU A 97 27.930 34.070 18.904 1.00 0.00 H new ATOM 0 HB2 GLU A 97 26.232 32.470 18.095 1.00 0.00 H new ATOM 0 HB3 GLU A 97 25.897 31.976 19.742 1.00 0.00 H new ATOM 0 HG2 GLU A 97 25.133 34.353 20.210 1.00 0.00 H new ATOM 0 HG3 GLU A 97 25.299 34.680 18.496 1.00 0.00 H new ATOM 1317 N LYS A 98 27.489 34.962 21.240 1.00 0.00 N ATOM 1318 CA LYS A 98 27.535 35.502 22.564 1.00 0.00 C ATOM 1319 C LYS A 98 26.275 35.258 23.321 1.00 0.00 C ATOM 1320 O LYS A 98 25.167 35.346 22.794 1.00 0.00 O ATOM 1321 CB LYS A 98 27.804 37.013 22.460 1.00 0.00 C ATOM 1322 CG LYS A 98 27.998 37.762 23.779 1.00 0.00 C ATOM 1323 CD LYS A 98 29.185 37.261 24.603 1.00 0.00 C ATOM 1324 CE LYS A 98 28.905 37.330 26.106 1.00 0.00 C ATOM 1325 NZ LYS A 98 29.834 36.437 26.837 1.00 0.00 N ATOM 0 H LYS A 98 27.346 35.666 20.516 1.00 0.00 H new ATOM 0 HA LYS A 98 28.332 35.002 23.114 1.00 0.00 H new ATOM 0 HB2 LYS A 98 28.695 37.160 21.850 1.00 0.00 H new ATOM 0 HB3 LYS A 98 26.972 37.472 21.926 1.00 0.00 H new ATOM 0 HG2 LYS A 98 28.136 38.822 23.567 1.00 0.00 H new ATOM 0 HG3 LYS A 98 27.090 37.671 24.375 1.00 0.00 H new ATOM 0 HD2 LYS A 98 29.413 36.233 24.323 1.00 0.00 H new ATOM 0 HD3 LYS A 98 30.067 37.858 24.370 1.00 0.00 H new ATOM 0 HE2 LYS A 98 29.020 38.355 26.459 1.00 0.00 H new ATOM 0 HE3 LYS A 98 27.874 37.038 26.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 29.960 36.787 27.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 29.441 35.474 26.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 30.754 36.422 26.353 1.00 0.00 H new