USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=15 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 THR OG1 : rot 107:sc= 0.72 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -156:sc= 0.335 (180deg=0.134) 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 -35:sc= 0.0225 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0364 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0828) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.924 X(o=-0.92,f=-0.8) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 55 LYS NZ :NH3+ 164:sc= 0.467 (180deg=0.273) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -65:sc= 0.717 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 149:sc= -0.0511 (180deg=-1.24!) USER MOD Single : A 68 GLN : amide:sc= 0.615 K(o=0.62,f=-6.9!) USER MOD Single : A 69 LYS NZ :NH3+ -159:sc= 0.859 (180deg=0.578) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 12.887 35.517 25.304 1.00 20.00 N ATOM 18 CA GLU A 2 12.867 34.055 25.356 1.00 20.00 C ATOM 19 C GLU A 2 14.227 33.483 25.761 1.00 20.00 C ATOM 20 O GLU A 2 14.277 32.592 26.606 1.00 20.00 O ATOM 21 CB GLU A 2 12.397 33.521 24.000 1.00 20.00 C ATOM 22 CG GLU A 2 12.072 32.024 24.058 1.00 20.00 C ATOM 23 CD GLU A 2 10.902 31.694 24.987 1.00 20.00 C ATOM 24 OE1 GLU A 2 9.789 32.201 24.723 1.00 20.00 O ATOM 25 OE2 GLU A 2 11.119 30.912 25.939 1.00 20.00 O ATOM 0 HA GLU A 2 12.168 33.730 26.127 1.00 20.00 H new ATOM 0 HB2 GLU A 2 11.513 34.072 23.679 1.00 20.00 H new ATOM 0 HB3 GLU A 2 13.171 33.696 23.253 1.00 20.00 H new ATOM 0 HG2 GLU A 2 11.840 31.671 23.053 1.00 20.00 H new ATOM 0 HG3 GLU A 2 12.956 31.480 24.391 1.00 20.00 H new ATOM 32 N CYS A 3 15.324 34.009 25.200 1.00 20.00 N ATOM 33 CA CYS A 3 16.674 33.640 25.622 1.00 20.00 C ATOM 34 C CYS A 3 16.939 34.052 27.074 1.00 20.00 C ATOM 35 O CYS A 3 17.522 33.267 27.817 1.00 20.00 O ATOM 36 CB CYS A 3 17.712 34.211 24.649 1.00 20.00 C ATOM 37 SG CYS A 3 17.779 33.189 23.163 1.00 20.00 S ATOM 0 H CYS A 3 15.298 34.697 24.447 1.00 20.00 H new ATOM 0 HA CYS A 3 16.763 32.554 25.593 1.00 20.00 H new ATOM 0 HB2 CYS A 3 17.452 35.236 24.386 1.00 20.00 H new ATOM 0 HB3 CYS A 3 18.692 34.243 25.125 1.00 20.00 H new ATOM 42 N VAL A 4 16.455 35.229 27.499 1.00 20.00 N ATOM 43 CA VAL A 4 16.529 35.698 28.887 1.00 20.00 C ATOM 44 C VAL A 4 15.659 34.830 29.813 1.00 20.00 C ATOM 45 O VAL A 4 16.055 34.582 30.952 1.00 20.00 O ATOM 46 CB VAL A 4 16.115 37.187 28.966 1.00 20.00 C ATOM 47 CG1 VAL A 4 16.210 37.754 30.392 1.00 20.00 C ATOM 48 CG2 VAL A 4 16.997 38.066 28.066 1.00 20.00 C ATOM 0 H VAL A 4 15.994 35.891 26.875 1.00 20.00 H new ATOM 0 HA VAL A 4 17.560 35.607 29.229 1.00 20.00 H new ATOM 0 HB VAL A 4 15.078 37.211 28.632 1.00 20.00 H new ATOM 0 HG11 VAL A 4 15.908 38.801 30.388 1.00 20.00 H new ATOM 0 HG12 VAL A 4 15.552 37.189 31.053 1.00 20.00 H new ATOM 0 HG13 VAL A 4 17.237 37.674 30.748 1.00 20.00 H new ATOM 0 HG21 VAL A 4 16.678 39.105 28.147 1.00 20.00 H new ATOM 0 HG22 VAL A 4 18.037 37.981 28.381 1.00 20.00 H new ATOM 0 HG23 VAL A 4 16.903 37.737 27.031 1.00 20.00 H new ATOM 58 N SER A 5 14.502 34.346 29.328 1.00 20.00 N ATOM 59 CA SER A 5 13.593 33.480 30.082 1.00 20.00 C ATOM 60 C SER A 5 14.222 32.114 30.394 1.00 20.00 C ATOM 61 O SER A 5 13.983 31.563 31.470 1.00 20.00 O ATOM 62 CB SER A 5 12.283 33.306 29.298 1.00 20.00 C ATOM 63 OG SER A 5 11.320 32.608 30.071 1.00 20.00 O ATOM 0 H SER A 5 14.172 34.552 28.385 1.00 20.00 H new ATOM 0 HA SER A 5 13.386 33.959 31.039 1.00 20.00 H new ATOM 0 HB2 SER A 5 11.890 34.283 29.016 1.00 20.00 H new ATOM 0 HB3 SER A 5 12.477 32.762 28.374 1.00 20.00 H new ATOM 0 HG SER A 5 10.494 32.510 29.553 1.00 20.00 H new ATOM 69 N LYS A 6 15.035 31.584 29.465 1.00 20.00 N ATOM 70 CA LYS A 6 15.782 30.336 29.629 1.00 20.00 C ATOM 71 C LYS A 6 17.060 30.525 30.467 1.00 20.00 C ATOM 72 O LYS A 6 17.492 29.572 31.118 1.00 20.00 O ATOM 73 CB LYS A 6 16.154 29.782 28.241 1.00 20.00 C ATOM 74 CG LYS A 6 14.956 29.323 27.392 1.00 20.00 C ATOM 75 CD LYS A 6 14.412 27.961 27.845 1.00 20.00 C ATOM 76 CE LYS A 6 13.220 27.499 27.003 1.00 20.00 C ATOM 77 NZ LYS A 6 12.034 28.355 27.190 1.00 20.00 N ATOM 0 H LYS A 6 15.191 32.026 28.559 1.00 20.00 H new ATOM 0 HA LYS A 6 15.142 29.634 30.164 1.00 20.00 H new ATOM 0 HB2 LYS A 6 16.699 30.550 27.692 1.00 20.00 H new ATOM 0 HB3 LYS A 6 16.834 28.940 28.371 1.00 20.00 H new ATOM 0 HG2 LYS A 6 14.163 30.068 27.454 1.00 20.00 H new ATOM 0 HG3 LYS A 6 15.256 29.263 26.346 1.00 20.00 H new ATOM 0 HD2 LYS A 6 15.206 27.217 27.784 1.00 20.00 H new ATOM 0 HD3 LYS A 6 14.112 28.022 28.891 1.00 20.00 H new ATOM 0 HE2 LYS A 6 13.501 27.498 25.950 1.00 20.00 H new ATOM 0 HE3 LYS A 6 12.969 26.472 27.267 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 11.176 27.816 26.954 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 11.985 28.668 28.180 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 12.103 29.185 26.567 1.00 20.00 H new ATOM 91 N GLY A 7 17.653 31.732 30.454 1.00 20.00 N ATOM 92 CA GLY A 7 18.886 32.079 31.163 1.00 20.00 C ATOM 93 C GLY A 7 20.100 32.287 30.246 1.00 20.00 C ATOM 94 O GLY A 7 21.177 32.618 30.741 1.00 20.00 O ATOM 0 H GLY A 7 17.269 32.517 29.929 1.00 20.00 H new ATOM 0 HA2 GLY A 7 18.718 32.990 31.737 1.00 20.00 H new ATOM 0 HA3 GLY A 7 19.116 31.289 31.878 1.00 20.00 H new ATOM 98 N PHE A 8 19.943 32.113 28.926 1.00 20.00 N ATOM 99 CA PHE A 8 20.943 32.425 27.906 1.00 20.00 C ATOM 100 C PHE A 8 21.139 33.948 27.750 1.00 20.00 C ATOM 101 O PHE A 8 20.456 34.748 28.393 1.00 20.00 O ATOM 102 CB PHE A 8 20.522 31.785 26.572 1.00 20.00 C ATOM 103 CG PHE A 8 20.198 30.301 26.636 1.00 20.00 C ATOM 104 CD1 PHE A 8 18.930 29.840 26.235 1.00 20.00 C ATOM 105 CD2 PHE A 8 21.161 29.377 27.086 1.00 20.00 C ATOM 106 CE1 PHE A 8 18.630 28.468 26.280 1.00 20.00 C ATOM 107 CE2 PHE A 8 20.865 28.004 27.121 1.00 20.00 C ATOM 108 CZ PHE A 8 19.599 27.548 26.715 1.00 20.00 C ATOM 0 H PHE A 8 19.082 31.737 28.529 1.00 20.00 H new ATOM 0 HA PHE A 8 21.902 32.012 28.219 1.00 20.00 H new ATOM 0 HB2 PHE A 8 19.648 32.315 26.194 1.00 20.00 H new ATOM 0 HB3 PHE A 8 21.323 31.934 25.848 1.00 20.00 H new ATOM 0 HD1 PHE A 8 18.185 30.543 25.892 1.00 20.00 H new ATOM 0 HD2 PHE A 8 22.132 29.726 27.406 1.00 20.00 H new ATOM 0 HE1 PHE A 8 17.653 28.120 25.980 1.00 20.00 H new ATOM 0 HE2 PHE A 8 21.610 27.299 27.460 1.00 20.00 H new ATOM 0 HZ PHE A 8 19.371 26.492 26.737 1.00 20.00 H new ATOM 118 N GLY A 9 22.086 34.340 26.887 1.00 20.00 N ATOM 119 CA GLY A 9 22.500 35.722 26.660 1.00 20.00 C ATOM 120 C GLY A 9 22.078 36.261 25.294 1.00 20.00 C ATOM 121 O GLY A 9 21.479 35.546 24.490 1.00 20.00 O ATOM 0 H GLY A 9 22.601 33.675 26.309 1.00 20.00 H new ATOM 0 HA2 GLY A 9 22.075 36.354 27.440 1.00 20.00 H new ATOM 0 HA3 GLY A 9 23.584 35.789 26.751 1.00 20.00 H new ATOM 125 N CYS A 10 22.422 37.533 25.051 1.00 20.00 N ATOM 126 CA CYS A 10 22.133 38.285 23.836 1.00 20.00 C ATOM 127 C CYS A 10 23.397 39.013 23.341 1.00 20.00 C ATOM 128 O CYS A 10 23.391 40.229 23.146 1.00 20.00 O ATOM 129 CB CYS A 10 20.960 39.245 24.082 1.00 20.00 C ATOM 130 SG CYS A 10 19.357 38.471 24.421 1.00 20.00 S ATOM 0 H CYS A 10 22.935 38.088 25.736 1.00 20.00 H new ATOM 0 HA CYS A 10 21.833 37.599 23.044 1.00 20.00 H new ATOM 0 HB2 CYS A 10 21.215 39.890 24.923 1.00 20.00 H new ATOM 0 HB3 CYS A 10 20.853 39.888 23.208 1.00 20.00 H new ATOM 135 N LEU A 11 24.486 38.254 23.148 1.00 20.00 N ATOM 136 CA LEU A 11 25.783 38.738 22.666 1.00 20.00 C ATOM 137 C LEU A 11 25.685 39.250 21.216 1.00 20.00 C ATOM 138 O LEU A 11 24.772 38.847 20.494 1.00 20.00 O ATOM 139 CB LEU A 11 26.803 37.581 22.746 1.00 20.00 C ATOM 140 CG LEU A 11 27.421 37.299 24.131 1.00 20.00 C ATOM 141 CD1 LEU A 11 28.297 38.456 24.624 1.00 20.00 C ATOM 142 CD2 LEU A 11 26.387 36.945 25.207 1.00 20.00 C ATOM 0 H LEU A 11 24.485 37.250 23.331 1.00 20.00 H new ATOM 0 HA LEU A 11 26.104 39.571 23.291 1.00 20.00 H new ATOM 0 HB2 LEU A 11 26.313 36.671 22.400 1.00 20.00 H new ATOM 0 HB3 LEU A 11 27.613 37.792 22.048 1.00 20.00 H new ATOM 0 HG LEU A 11 28.047 36.420 23.975 1.00 20.00 H new ATOM 0 HD11 LEU A 11 28.709 38.209 25.603 1.00 20.00 H new ATOM 0 HD12 LEU A 11 29.111 38.622 23.919 1.00 20.00 H new ATOM 0 HD13 LEU A 11 27.695 39.361 24.702 1.00 20.00 H new ATOM 0 HD21 LEU A 11 26.895 36.760 26.153 1.00 20.00 H new ATOM 0 HD22 LEU A 11 25.688 37.773 25.326 1.00 20.00 H new ATOM 0 HD23 LEU A 11 25.842 36.050 24.907 1.00 20.00 H new ATOM 154 N PRO A 12 26.635 40.089 20.748 1.00 20.00 N ATOM 155 CA PRO A 12 26.715 40.476 19.344 1.00 20.00 C ATOM 156 C PRO A 12 27.135 39.287 18.471 1.00 20.00 C ATOM 157 O PRO A 12 27.761 38.338 18.945 1.00 20.00 O ATOM 158 CB PRO A 12 27.738 41.617 19.291 1.00 20.00 C ATOM 159 CG PRO A 12 28.659 41.331 20.473 1.00 20.00 C ATOM 160 CD PRO A 12 27.721 40.706 21.504 1.00 20.00 C ATOM 0 HA PRO A 12 25.750 40.799 18.953 1.00 20.00 H new ATOM 0 HB2 PRO A 12 28.285 41.621 18.348 1.00 20.00 H new ATOM 0 HB3 PRO A 12 27.257 42.591 19.384 1.00 20.00 H new ATOM 0 HG2 PRO A 12 29.466 40.652 20.199 1.00 20.00 H new ATOM 0 HG3 PRO A 12 29.123 42.242 20.851 1.00 20.00 H new ATOM 0 HD2 PRO A 12 28.245 39.965 22.108 1.00 20.00 H new ATOM 0 HD3 PRO A 12 27.337 41.462 22.189 1.00 20.00 H new ATOM 168 N GLN A 13 26.817 39.372 17.177 1.00 20.00 N ATOM 169 CA GLN A 13 27.198 38.386 16.164 1.00 20.00 C ATOM 170 C GLN A 13 28.726 38.319 15.985 1.00 20.00 C ATOM 171 O GLN A 13 29.243 37.281 15.582 1.00 20.00 O ATOM 172 CB GLN A 13 26.528 38.762 14.831 1.00 20.00 C ATOM 173 CG GLN A 13 25.000 38.594 14.886 1.00 20.00 C ATOM 174 CD GLN A 13 24.317 39.185 13.653 1.00 20.00 C ATOM 175 OE1 GLN A 13 24.477 38.679 12.546 1.00 20.00 O ATOM 176 NE2 GLN A 13 23.546 40.255 13.836 1.00 20.00 N ATOM 0 H GLN A 13 26.274 40.147 16.796 1.00 20.00 H new ATOM 0 HA GLN A 13 26.864 37.401 16.491 1.00 20.00 H new ATOM 0 HB2 GLN A 13 26.770 39.795 14.582 1.00 20.00 H new ATOM 0 HB3 GLN A 13 26.933 38.139 14.033 1.00 20.00 H new ATOM 0 HG2 GLN A 13 24.754 37.535 14.965 1.00 20.00 H new ATOM 0 HG3 GLN A 13 24.613 39.079 15.783 1.00 20.00 H new ATOM 0 HE21 GLN A 13 23.435 40.650 14.770 1.00 20.00 H new ATOM 0 HE22 GLN A 13 23.066 40.680 13.042 1.00 20.00 H new ATOM 185 N SER A 14 29.456 39.398 16.312 1.00 20.00 N ATOM 186 CA SER A 14 30.914 39.478 16.255 1.00 20.00 C ATOM 187 C SER A 14 31.615 38.678 17.366 1.00 20.00 C ATOM 188 O SER A 14 32.790 38.352 17.206 1.00 20.00 O ATOM 189 CB SER A 14 31.329 40.949 16.357 1.00 20.00 C ATOM 190 OG SER A 14 30.816 41.691 15.273 1.00 20.00 O ATOM 0 H SER A 14 29.027 40.265 16.634 1.00 20.00 H new ATOM 0 HA SER A 14 31.224 39.037 15.308 1.00 20.00 H new ATOM 0 HB2 SER A 14 30.967 41.369 17.295 1.00 20.00 H new ATOM 0 HB3 SER A 14 32.416 41.024 16.373 1.00 20.00 H new ATOM 0 HG SER A 14 31.091 42.628 15.358 1.00 20.00 H new ATOM 196 N ASP A 15 30.914 38.342 18.461 1.00 20.00 N ATOM 197 CA ASP A 15 31.447 37.582 19.592 1.00 20.00 C ATOM 198 C ASP A 15 30.885 36.158 19.597 1.00 20.00 C ATOM 199 O ASP A 15 31.661 35.203 19.617 1.00 20.00 O ATOM 200 CB ASP A 15 31.138 38.317 20.904 1.00 20.00 C ATOM 201 CG ASP A 15 31.748 37.591 22.103 1.00 20.00 C ATOM 202 OD1 ASP A 15 30.970 37.032 22.906 1.00 20.00 O ATOM 203 OD2 ASP A 15 32.994 37.612 22.218 1.00 20.00 O ATOM 0 H ASP A 15 29.935 38.601 18.583 1.00 20.00 H new ATOM 0 HA ASP A 15 32.530 37.503 19.493 1.00 20.00 H new ATOM 0 HB2 ASP A 15 31.528 39.334 20.855 1.00 20.00 H new ATOM 0 HB3 ASP A 15 30.059 38.396 21.034 1.00 20.00 H new ATOM 208 N CYS A 16 29.552 36.020 19.574 1.00 20.00 N ATOM 209 CA CYS A 16 28.856 34.748 19.506 1.00 20.00 C ATOM 210 C CYS A 16 29.154 34.048 18.167 1.00 20.00 C ATOM 211 O CYS A 16 28.839 34.619 17.118 1.00 20.00 O ATOM 212 CB CYS A 16 27.347 34.990 19.649 1.00 20.00 C ATOM 213 SG CYS A 16 26.407 33.460 19.877 1.00 20.00 S ATOM 0 H CYS A 16 28.919 36.819 19.603 1.00 20.00 H new ATOM 0 HA CYS A 16 29.200 34.105 20.316 1.00 20.00 H new ATOM 0 HB2 CYS A 16 27.169 35.650 20.498 1.00 20.00 H new ATOM 0 HB3 CYS A 16 26.981 35.506 18.762 1.00 20.00 H new ATOM 218 N PRO A 17 29.734 32.828 18.169 1.00 20.00 N ATOM 219 CA PRO A 17 29.984 32.063 16.947 1.00 20.00 C ATOM 220 C PRO A 17 28.663 31.596 16.318 1.00 20.00 C ATOM 221 O PRO A 17 27.613 31.641 16.957 1.00 20.00 O ATOM 222 CB PRO A 17 30.869 30.892 17.389 1.00 20.00 C ATOM 223 CG PRO A 17 30.395 30.628 18.816 1.00 20.00 C ATOM 224 CD PRO A 17 30.123 32.041 19.334 1.00 20.00 C ATOM 0 HA PRO A 17 30.475 32.653 16.174 1.00 20.00 H new ATOM 0 HB2 PRO A 17 30.734 30.019 16.750 1.00 20.00 H new ATOM 0 HB3 PRO A 17 31.927 31.150 17.356 1.00 20.00 H new ATOM 0 HG2 PRO A 17 29.500 30.007 18.839 1.00 20.00 H new ATOM 0 HG3 PRO A 17 31.153 30.116 19.409 1.00 20.00 H new ATOM 0 HD2 PRO A 17 29.332 32.036 20.084 1.00 20.00 H new ATOM 0 HD3 PRO A 17 31.010 32.460 19.809 1.00 20.00 H new ATOM 232 N GLN A 18 28.719 31.150 15.057 1.00 20.00 N ATOM 233 CA GLN A 18 27.536 30.865 14.236 1.00 20.00 C ATOM 234 C GLN A 18 26.773 29.609 14.691 1.00 20.00 C ATOM 235 O GLN A 18 25.626 29.403 14.305 1.00 20.00 O ATOM 236 CB GLN A 18 27.961 30.749 12.762 1.00 20.00 C ATOM 237 CG GLN A 18 28.388 32.112 12.178 1.00 20.00 C ATOM 238 CD GLN A 18 28.910 31.983 10.747 1.00 20.00 C ATOM 239 OE1 GLN A 18 28.132 31.807 9.815 1.00 20.00 O ATOM 240 NE2 GLN A 18 30.224 32.078 10.566 1.00 20.00 N ATOM 0 H GLN A 18 29.599 30.975 14.572 1.00 20.00 H new ATOM 0 HA GLN A 18 26.839 31.694 14.359 1.00 20.00 H new ATOM 0 HB2 GLN A 18 28.787 30.043 12.677 1.00 20.00 H new ATOM 0 HB3 GLN A 18 27.135 30.346 12.176 1.00 20.00 H new ATOM 0 HG2 GLN A 18 27.539 32.795 12.194 1.00 20.00 H new ATOM 0 HG3 GLN A 18 29.162 32.550 12.808 1.00 20.00 H new ATOM 0 HE21 GLN A 18 30.840 32.224 11.366 1.00 20.00 H new ATOM 0 HE22 GLN A 18 30.616 32.004 9.627 1.00 20.00 H new ATOM 249 N GLU A 19 27.414 28.793 15.533 1.00 20.00 N ATOM 250 CA GLU A 19 26.928 27.546 16.098 1.00 20.00 C ATOM 251 C GLU A 19 26.087 27.765 17.367 1.00 20.00 C ATOM 252 O GLU A 19 25.065 27.100 17.536 1.00 20.00 O ATOM 253 CB GLU A 19 28.131 26.623 16.378 1.00 20.00 C ATOM 254 CG GLU A 19 29.339 27.311 17.031 1.00 20.00 C ATOM 255 CD GLU A 19 30.403 26.294 17.436 1.00 20.00 C ATOM 256 OE1 GLU A 19 31.251 25.966 16.578 1.00 20.00 O ATOM 257 OE2 GLU A 19 30.364 25.855 18.606 1.00 20.00 O ATOM 0 H GLU A 19 28.356 29.010 15.857 1.00 20.00 H new ATOM 0 HA GLU A 19 26.263 27.075 15.374 1.00 20.00 H new ATOM 0 HB2 GLU A 19 27.802 25.809 17.024 1.00 20.00 H new ATOM 0 HB3 GLU A 19 28.452 26.174 15.438 1.00 20.00 H new ATOM 0 HG2 GLU A 19 29.768 28.033 16.337 1.00 20.00 H new ATOM 0 HG3 GLU A 19 29.012 27.868 17.909 1.00 20.00 H new ATOM 264 N ALA A 20 26.506 28.689 18.244 1.00 20.00 N ATOM 265 CA ALA A 20 25.871 28.999 19.521 1.00 20.00 C ATOM 266 C ALA A 20 24.571 29.813 19.382 1.00 20.00 C ATOM 267 O ALA A 20 23.874 30.015 20.376 1.00 20.00 O ATOM 268 CB ALA A 20 26.890 29.746 20.393 1.00 20.00 C ATOM 0 H ALA A 20 27.332 29.262 18.070 1.00 20.00 H new ATOM 0 HA ALA A 20 25.573 28.059 19.986 1.00 20.00 H new ATOM 0 HB1 ALA A 20 26.437 29.989 21.354 1.00 20.00 H new ATOM 0 HB2 ALA A 20 27.764 29.115 20.553 1.00 20.00 H new ATOM 0 HB3 ALA A 20 27.193 30.665 19.892 1.00 20.00 H new ATOM 274 N ARG A 21 24.238 30.272 18.166 1.00 20.00 N ATOM 275 CA ARG A 21 23.059 31.081 17.858 1.00 20.00 C ATOM 276 C ARG A 21 21.785 30.238 17.923 1.00 20.00 C ATOM 277 O ARG A 21 21.537 29.413 17.043 1.00 20.00 O ATOM 278 CB ARG A 21 23.210 31.742 16.479 1.00 20.00 C ATOM 279 CG ARG A 21 24.374 32.740 16.478 1.00 20.00 C ATOM 280 CD ARG A 21 24.641 33.305 15.083 1.00 20.00 C ATOM 281 NE ARG A 21 25.889 34.074 15.081 1.00 20.00 N ATOM 282 CZ ARG A 21 26.384 34.766 14.046 1.00 20.00 C ATOM 283 NH1 ARG A 21 25.704 34.926 12.907 1.00 20.00 N ATOM 284 NH2 ARG A 21 27.596 35.306 14.147 1.00 20.00 N ATOM 0 H ARG A 21 24.807 30.080 17.342 1.00 20.00 H new ATOM 0 HA ARG A 21 22.976 31.867 18.609 1.00 20.00 H new ATOM 0 HB2 ARG A 21 23.380 30.977 15.721 1.00 20.00 H new ATOM 0 HB3 ARG A 21 22.285 32.254 16.213 1.00 20.00 H new ATOM 0 HG2 ARG A 21 24.152 33.557 17.164 1.00 20.00 H new ATOM 0 HG3 ARG A 21 25.274 32.249 16.849 1.00 20.00 H new ATOM 0 HD2 ARG A 21 24.704 32.493 14.359 1.00 20.00 H new ATOM 0 HD3 ARG A 21 23.812 33.942 14.775 1.00 20.00 H new ATOM 0 HE ARG A 21 26.430 34.083 15.946 1.00 20.00 H new ATOM 0 HH11 ARG A 21 24.776 34.515 12.805 1.00 20.00 H new ATOM 0 HH12 ARG A 21 26.113 35.460 12.140 1.00 20.00 H new ATOM 0 HH21 ARG A 21 28.136 35.191 15.005 1.00 20.00 H new ATOM 0 HH22 ARG A 21 27.985 35.835 13.367 1.00 20.00 H new ATOM 298 N LEU A 22 20.981 30.463 18.970 1.00 20.00 N ATOM 299 CA LEU A 22 19.696 29.808 19.195 1.00 20.00 C ATOM 300 C LEU A 22 18.612 30.314 18.232 1.00 20.00 C ATOM 301 O LEU A 22 18.785 31.327 17.555 1.00 20.00 O ATOM 302 CB LEU A 22 19.262 30.036 20.654 1.00 20.00 C ATOM 303 CG LEU A 22 20.180 29.354 21.688 1.00 20.00 C ATOM 304 CD1 LEU A 22 19.927 29.961 23.065 1.00 20.00 C ATOM 305 CD2 LEU A 22 19.942 27.841 21.741 1.00 20.00 C ATOM 0 H LEU A 22 21.219 31.129 19.705 1.00 20.00 H new ATOM 0 HA LEU A 22 19.820 28.742 19.003 1.00 20.00 H new ATOM 0 HB2 LEU A 22 19.238 31.107 20.853 1.00 20.00 H new ATOM 0 HB3 LEU A 22 18.245 29.665 20.783 1.00 20.00 H new ATOM 0 HG LEU A 22 21.214 29.520 21.387 1.00 20.00 H new ATOM 0 HD11 LEU A 22 20.575 29.481 23.799 1.00 20.00 H new ATOM 0 HD12 LEU A 22 20.141 31.029 23.036 1.00 20.00 H new ATOM 0 HD13 LEU A 22 18.885 29.807 23.345 1.00 20.00 H new ATOM 0 HD21 LEU A 22 20.606 27.394 22.480 1.00 20.00 H new ATOM 0 HD22 LEU A 22 18.906 27.645 22.018 1.00 20.00 H new ATOM 0 HD23 LEU A 22 20.144 27.406 20.762 1.00 20.00 H new ATOM 317 N SER A 23 17.480 29.602 18.205 1.00 20.00 N ATOM 318 CA SER A 23 16.323 29.877 17.347 1.00 20.00 C ATOM 319 C SER A 23 15.310 30.834 18.002 1.00 20.00 C ATOM 320 O SER A 23 14.438 31.369 17.320 1.00 20.00 O ATOM 321 CB SER A 23 15.666 28.537 16.991 1.00 20.00 C ATOM 322 OG SER A 23 14.626 28.704 16.042 1.00 20.00 O ATOM 0 H SER A 23 17.340 28.788 18.803 1.00 20.00 H new ATOM 0 HA SER A 23 16.667 30.385 16.446 1.00 20.00 H new ATOM 0 HB2 SER A 23 16.418 27.856 16.592 1.00 20.00 H new ATOM 0 HB3 SER A 23 15.266 28.076 17.894 1.00 20.00 H new ATOM 0 HG SER A 23 14.170 29.556 16.203 1.00 20.00 H new ATOM 328 N TYR A 24 15.435 31.060 19.316 1.00 20.00 N ATOM 329 CA TYR A 24 14.649 31.978 20.128 1.00 20.00 C ATOM 330 C TYR A 24 14.895 33.447 19.739 1.00 20.00 C ATOM 331 O TYR A 24 15.778 33.760 18.939 1.00 20.00 O ATOM 332 CB TYR A 24 15.076 31.733 21.579 1.00 20.00 C ATOM 333 CG TYR A 24 14.871 30.335 22.127 1.00 20.00 C ATOM 334 CD1 TYR A 24 15.941 29.705 22.780 1.00 20.00 C ATOM 335 CD2 TYR A 24 13.629 29.681 22.032 1.00 20.00 C ATOM 336 CE1 TYR A 24 15.795 28.422 23.327 1.00 20.00 C ATOM 337 CE2 TYR A 24 13.462 28.403 22.598 1.00 20.00 C ATOM 338 CZ TYR A 24 14.546 27.766 23.247 1.00 20.00 C ATOM 339 OH TYR A 24 14.381 26.536 23.808 1.00 20.00 O ATOM 0 H TYR A 24 16.137 30.570 19.871 1.00 20.00 H new ATOM 0 HA TYR A 24 13.584 31.800 19.979 1.00 20.00 H new ATOM 0 HB2 TYR A 24 16.134 31.980 21.668 1.00 20.00 H new ATOM 0 HB3 TYR A 24 14.531 32.430 22.215 1.00 20.00 H new ATOM 0 HD1 TYR A 24 16.890 30.215 22.863 1.00 20.00 H new ATOM 0 HD2 TYR A 24 12.804 30.159 21.525 1.00 20.00 H new ATOM 0 HE1 TYR A 24 16.633 27.938 23.807 1.00 20.00 H new ATOM 0 HE2 TYR A 24 12.504 27.908 22.537 1.00 20.00 H new ATOM 0 HH TYR A 24 13.461 26.230 23.662 1.00 20.00 H new ATOM 349 N GLY A 25 14.100 34.355 20.320 1.00 20.00 N ATOM 350 CA GLY A 25 14.111 35.788 20.017 1.00 20.00 C ATOM 351 C GLY A 25 13.978 36.668 21.262 1.00 20.00 C ATOM 352 O GLY A 25 13.972 36.195 22.398 1.00 20.00 O ATOM 0 H GLY A 25 13.414 34.104 21.032 1.00 20.00 H new ATOM 0 HA2 GLY A 25 15.039 36.037 19.501 1.00 20.00 H new ATOM 0 HA3 GLY A 25 13.295 36.014 19.331 1.00 20.00 H new ATOM 356 N GLY A 26 13.896 37.982 21.018 1.00 20.00 N ATOM 357 CA GLY A 26 13.779 39.041 22.023 1.00 20.00 C ATOM 358 C GLY A 26 15.094 39.790 22.284 1.00 20.00 C ATOM 359 O GLY A 26 15.070 40.829 22.945 1.00 20.00 O ATOM 0 H GLY A 26 13.910 38.351 20.067 1.00 20.00 H new ATOM 0 HA2 GLY A 26 13.022 39.755 21.699 1.00 20.00 H new ATOM 0 HA3 GLY A 26 13.427 38.605 22.958 1.00 20.00 H new ATOM 363 N CYS A 27 16.231 39.283 21.777 1.00 20.00 N ATOM 364 CA CYS A 27 17.548 39.905 21.908 1.00 20.00 C ATOM 365 C CYS A 27 17.680 41.201 21.086 1.00 20.00 C ATOM 366 O CYS A 27 16.772 41.598 20.349 1.00 20.00 O ATOM 367 CB CYS A 27 18.630 38.902 21.497 1.00 20.00 C ATOM 368 SG CYS A 27 18.898 37.541 22.669 1.00 20.00 S ATOM 0 H CYS A 27 16.254 38.408 21.253 1.00 20.00 H new ATOM 0 HA CYS A 27 17.675 40.185 22.954 1.00 20.00 H new ATOM 0 HB2 CYS A 27 18.364 38.480 20.528 1.00 20.00 H new ATOM 0 HB3 CYS A 27 19.570 39.438 21.364 1.00 20.00 H new ATOM 373 N SER A 28 18.832 41.868 21.250 1.00 20.00 N ATOM 374 CA SER A 28 19.168 43.150 20.637 1.00 20.00 C ATOM 375 C SER A 28 20.066 42.976 19.407 1.00 20.00 C ATOM 376 O SER A 28 20.197 43.899 18.606 1.00 20.00 O ATOM 377 CB SER A 28 19.850 44.045 21.679 1.00 20.00 C ATOM 378 OG SER A 28 21.036 43.461 22.181 1.00 20.00 O ATOM 0 H SER A 28 19.583 41.509 21.839 1.00 20.00 H new ATOM 0 HA SER A 28 18.246 43.620 20.295 1.00 20.00 H new ATOM 0 HB2 SER A 28 20.083 45.011 21.231 1.00 20.00 H new ATOM 0 HB3 SER A 28 19.161 44.233 22.503 1.00 20.00 H new ATOM 0 HG SER A 28 21.442 44.061 22.840 1.00 20.00 H new ATOM 384 N THR A 29 20.653 41.785 19.237 1.00 20.00 N ATOM 385 CA THR A 29 21.535 41.394 18.151 1.00 20.00 C ATOM 386 C THR A 29 21.236 39.946 17.758 1.00 20.00 C ATOM 387 O THR A 29 20.663 39.708 16.695 1.00 20.00 O ATOM 388 CB THR A 29 23.024 41.604 18.525 1.00 20.00 C ATOM 389 OG1 THR A 29 23.295 41.243 19.867 1.00 20.00 O ATOM 390 CG2 THR A 29 23.462 43.059 18.331 1.00 20.00 C ATOM 0 H THR A 29 20.510 41.025 19.902 1.00 20.00 H new ATOM 0 HA THR A 29 21.348 42.033 17.288 1.00 20.00 H new ATOM 0 HB THR A 29 23.585 40.955 17.852 1.00 20.00 H new ATOM 0 HG1 THR A 29 23.802 40.404 19.884 1.00 20.00 H new ATOM 0 HG21 THR A 29 24.512 43.162 18.605 1.00 20.00 H new ATOM 0 HG22 THR A 29 23.329 43.343 17.287 1.00 20.00 H new ATOM 0 HG23 THR A 29 22.857 43.709 18.963 1.00 20.00 H new ATOM 398 N VAL A 30 21.632 38.989 18.608 1.00 20.00 N ATOM 399 CA VAL A 30 21.426 37.553 18.425 1.00 20.00 C ATOM 400 C VAL A 30 21.531 36.862 19.793 1.00 20.00 C ATOM 401 O VAL A 30 22.222 37.362 20.680 1.00 20.00 O ATOM 402 CB VAL A 30 22.458 37.014 17.402 1.00 20.00 C ATOM 403 CG1 VAL A 30 23.912 36.989 17.909 1.00 20.00 C ATOM 404 CG2 VAL A 30 22.084 35.625 16.886 1.00 20.00 C ATOM 0 H VAL A 30 22.124 39.207 19.475 1.00 20.00 H new ATOM 0 HA VAL A 30 20.435 37.344 18.022 1.00 20.00 H new ATOM 0 HB VAL A 30 22.416 37.736 16.587 1.00 20.00 H new ATOM 0 HG11 VAL A 30 24.563 36.598 17.127 1.00 20.00 H new ATOM 0 HG12 VAL A 30 24.224 38.001 18.169 1.00 20.00 H new ATOM 0 HG13 VAL A 30 23.979 36.351 18.790 1.00 20.00 H new ATOM 0 HG21 VAL A 30 22.835 35.288 16.172 1.00 20.00 H new ATOM 0 HG22 VAL A 30 22.038 34.927 17.722 1.00 20.00 H new ATOM 0 HG23 VAL A 30 21.111 35.669 16.396 1.00 20.00 H new ATOM 414 N CYS A 31 20.881 35.703 19.960 1.00 20.00 N ATOM 415 CA CYS A 31 21.052 34.861 21.141 1.00 20.00 C ATOM 416 C CYS A 31 22.415 34.158 21.144 1.00 20.00 C ATOM 417 O CYS A 31 23.040 33.991 20.097 1.00 20.00 O ATOM 418 CB CYS A 31 19.957 33.795 21.187 1.00 20.00 C ATOM 419 SG CYS A 31 18.300 34.381 21.601 1.00 20.00 S ATOM 0 H CYS A 31 20.223 35.327 19.278 1.00 20.00 H new ATOM 0 HA CYS A 31 20.990 35.512 22.013 1.00 20.00 H new ATOM 0 HB2 CYS A 31 19.915 33.303 20.215 1.00 20.00 H new ATOM 0 HB3 CYS A 31 20.246 33.037 21.915 1.00 20.00 H new ATOM 424 N CYS A 32 22.833 33.690 22.328 1.00 20.00 N ATOM 425 CA CYS A 32 24.008 32.848 22.506 1.00 20.00 C ATOM 426 C CYS A 32 23.824 31.944 23.729 1.00 20.00 C ATOM 427 O CYS A 32 23.626 32.456 24.831 1.00 20.00 O ATOM 428 CB CYS A 32 25.256 33.732 22.643 1.00 20.00 C ATOM 429 SG CYS A 32 26.715 33.027 21.846 1.00 20.00 S ATOM 0 H CYS A 32 22.349 33.894 23.202 1.00 20.00 H new ATOM 0 HA CYS A 32 24.138 32.206 21.635 1.00 20.00 H new ATOM 0 HB2 CYS A 32 25.050 34.711 22.210 1.00 20.00 H new ATOM 0 HB3 CYS A 32 25.468 33.890 23.701 1.00 20.00 H new ATOM 434 N ASP A 33 23.876 30.615 23.539 1.00 20.00 N ATOM 435 CA ASP A 33 23.773 29.628 24.616 1.00 20.00 C ATOM 436 C ASP A 33 25.019 29.629 25.512 1.00 20.00 C ATOM 437 O ASP A 33 25.997 28.942 25.231 1.00 20.00 O ATOM 438 CB ASP A 33 23.406 28.219 24.099 1.00 20.00 C ATOM 439 CG ASP A 33 24.089 27.763 22.803 1.00 20.00 C ATOM 440 OD1 ASP A 33 23.367 27.180 21.961 1.00 20.00 O ATOM 441 OD2 ASP A 33 25.317 27.936 22.670 1.00 20.00 O ATOM 0 H ASP A 33 23.993 30.194 22.617 1.00 20.00 H new ATOM 0 HA ASP A 33 22.938 29.935 25.246 1.00 20.00 H new ATOM 0 HB2 ASP A 33 23.642 27.497 24.881 1.00 20.00 H new ATOM 0 HB3 ASP A 33 22.327 28.182 23.947 1.00 20.00 H new ATOM 446 N LEU A 34 24.978 30.408 26.602 1.00 20.00 N ATOM 447 CA LEU A 34 26.107 30.631 27.503 1.00 20.00 C ATOM 448 C LEU A 34 26.532 29.349 28.226 1.00 20.00 C ATOM 449 O LEU A 34 27.727 29.126 28.415 1.00 20.00 O ATOM 450 CB LEU A 34 25.761 31.700 28.555 1.00 20.00 C ATOM 451 CG LEU A 34 25.192 33.017 27.996 1.00 20.00 C ATOM 452 CD1 LEU A 34 24.896 33.970 29.155 1.00 20.00 C ATOM 453 CD2 LEU A 34 26.144 33.686 26.999 1.00 20.00 C ATOM 0 H LEU A 34 24.137 30.911 26.884 1.00 20.00 H new ATOM 0 HA LEU A 34 26.936 30.971 26.882 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.037 31.278 29.252 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.660 31.927 29.127 1.00 20.00 H new ATOM 0 HG LEU A 34 24.275 32.782 27.455 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.493 34.904 28.764 1.00 20.00 H new ATOM 0 HD12 LEU A 34 24.168 33.513 29.825 1.00 20.00 H new ATOM 0 HD13 LEU A 34 25.816 34.173 29.703 1.00 20.00 H new ATOM 0 HD21 LEU A 34 25.697 34.611 26.634 1.00 20.00 H new ATOM 0 HD22 LEU A 34 27.089 33.910 27.493 1.00 20.00 H new ATOM 0 HD23 LEU A 34 26.324 33.014 26.160 1.00 20.00 H new ATOM 465 N SER A 35 25.563 28.501 28.602 1.00 20.00 N ATOM 466 CA SER A 35 25.796 27.215 29.245 1.00 20.00 C ATOM 467 C SER A 35 26.573 26.252 28.337 1.00 20.00 C ATOM 468 O SER A 35 27.358 25.456 28.848 1.00 20.00 O ATOM 469 CB SER A 35 24.443 26.613 29.641 1.00 20.00 C ATOM 470 OG SER A 35 24.611 25.404 30.346 1.00 20.00 O ATOM 0 H SER A 35 24.573 28.703 28.460 1.00 20.00 H new ATOM 0 HA SER A 35 26.410 27.372 30.132 1.00 20.00 H new ATOM 0 HB2 SER A 35 23.892 27.323 30.258 1.00 20.00 H new ATOM 0 HB3 SER A 35 23.845 26.436 28.747 1.00 20.00 H new ATOM 0 HG SER A 35 23.733 25.042 30.588 1.00 20.00 H new ATOM 476 N LYS A 36 26.392 26.345 27.010 1.00 20.00 N ATOM 477 CA LYS A 36 27.012 25.455 26.025 1.00 20.00 C ATOM 478 C LYS A 36 28.223 26.078 25.318 1.00 20.00 C ATOM 479 O LYS A 36 28.795 25.458 24.422 1.00 20.00 O ATOM 480 CB LYS A 36 25.962 24.977 25.007 1.00 20.00 C ATOM 481 CG LYS A 36 24.708 24.349 25.646 1.00 20.00 C ATOM 482 CD LYS A 36 24.242 23.084 24.911 1.00 20.00 C ATOM 483 CE LYS A 36 25.154 21.884 25.198 1.00 20.00 C ATOM 484 NZ LYS A 36 24.987 21.383 26.578 1.00 20.00 N ATOM 0 H LYS A 36 25.797 27.057 26.587 1.00 20.00 H new ATOM 0 HA LYS A 36 27.398 24.597 26.575 1.00 20.00 H new ATOM 0 HB2 LYS A 36 25.658 25.823 24.390 1.00 20.00 H new ATOM 0 HB3 LYS A 36 26.422 24.247 24.342 1.00 20.00 H new ATOM 0 HG2 LYS A 36 24.919 24.103 26.687 1.00 20.00 H new ATOM 0 HG3 LYS A 36 23.901 25.081 25.649 1.00 20.00 H new ATOM 0 HD2 LYS A 36 23.222 22.845 25.212 1.00 20.00 H new ATOM 0 HD3 LYS A 36 24.221 23.275 23.838 1.00 20.00 H new ATOM 0 HE2 LYS A 36 24.934 21.083 24.492 1.00 20.00 H new ATOM 0 HE3 LYS A 36 26.193 22.172 25.039 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 25.459 20.461 26.672 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 25.410 22.058 27.246 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 23.974 21.276 26.788 1.00 20.00 H new ATOM 577 N LYS A 43 39.139 30.436 32.173 1.00 20.00 N ATOM 578 CA LYS A 43 39.894 29.510 33.013 1.00 20.00 C ATOM 579 C LYS A 43 41.349 29.362 32.543 1.00 20.00 C ATOM 580 O LYS A 43 42.206 29.005 33.348 1.00 20.00 O ATOM 581 CB LYS A 43 39.229 28.122 33.004 1.00 20.00 C ATOM 582 CG LYS A 43 37.936 27.997 33.835 1.00 20.00 C ATOM 583 CD LYS A 43 36.678 28.478 33.094 1.00 20.00 C ATOM 584 CE LYS A 43 35.430 28.178 33.915 1.00 20.00 C ATOM 585 NZ LYS A 43 34.207 28.616 33.208 1.00 20.00 N ATOM 0 HA LYS A 43 39.896 29.924 34.021 1.00 20.00 H new ATOM 0 HB2 LYS A 43 39.004 27.854 31.972 1.00 20.00 H new ATOM 0 HB3 LYS A 43 39.949 27.392 33.373 1.00 20.00 H new ATOM 0 HG2 LYS A 43 37.800 26.955 34.125 1.00 20.00 H new ATOM 0 HG3 LYS A 43 38.048 28.572 34.754 1.00 20.00 H new ATOM 0 HD2 LYS A 43 36.747 29.549 32.904 1.00 20.00 H new ATOM 0 HD3 LYS A 43 36.610 27.986 32.124 1.00 20.00 H new ATOM 0 HE2 LYS A 43 35.373 27.108 34.117 1.00 20.00 H new ATOM 0 HE3 LYS A 43 35.496 28.682 34.879 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 33.373 28.399 33.790 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 34.253 29.641 33.037 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 34.134 28.116 32.299 1.00 20.00 H new ATOM 599 N GLY A 44 41.628 29.616 31.257 1.00 20.00 N ATOM 600 CA GLY A 44 42.901 29.397 30.589 1.00 20.00 C ATOM 601 C GLY A 44 43.056 27.968 30.053 1.00 20.00 C ATOM 602 O GLY A 44 43.797 27.781 29.090 1.00 20.00 O ATOM 0 H GLY A 44 40.925 30.002 30.626 1.00 20.00 H new ATOM 0 HA2 GLY A 44 42.998 30.102 29.763 1.00 20.00 H new ATOM 0 HA3 GLY A 44 43.712 29.608 31.286 1.00 20.00 H new ATOM 606 N GLY A 45 42.370 26.983 30.658 1.00 20.00 N ATOM 607 CA GLY A 45 42.387 25.584 30.261 1.00 20.00 C ATOM 608 C GLY A 45 43.697 24.858 30.586 1.00 20.00 C ATOM 609 O GLY A 45 44.566 25.395 31.277 1.00 20.00 O ATOM 0 H GLY A 45 41.770 27.156 31.465 1.00 20.00 H new ATOM 0 HA2 GLY A 45 41.565 25.067 30.756 1.00 20.00 H new ATOM 0 HA3 GLY A 45 42.205 25.519 29.188 1.00 20.00 H new ATOM 613 N GLU A 46 43.821 23.624 30.076 1.00 20.00 N ATOM 614 CA GLU A 46 44.968 22.734 30.274 1.00 20.00 C ATOM 615 C GLU A 46 45.499 22.175 28.945 1.00 20.00 C ATOM 616 O GLU A 46 44.930 22.448 27.888 1.00 20.00 O ATOM 617 CB GLU A 46 44.579 21.632 31.273 1.00 20.00 C ATOM 618 CG GLU A 46 43.598 20.585 30.718 1.00 20.00 C ATOM 619 CD GLU A 46 43.049 19.710 31.844 1.00 20.00 C ATOM 620 OE1 GLU A 46 41.870 19.912 32.213 1.00 20.00 O ATOM 621 OE2 GLU A 46 43.809 18.841 32.323 1.00 20.00 O ATOM 0 H GLU A 46 43.096 23.205 29.493 1.00 20.00 H new ATOM 0 HA GLU A 46 45.797 23.303 30.695 1.00 20.00 H new ATOM 0 HB2 GLU A 46 45.484 21.123 31.604 1.00 20.00 H new ATOM 0 HB3 GLU A 46 44.135 22.097 32.153 1.00 20.00 H new ATOM 0 HG2 GLU A 46 42.776 21.085 30.205 1.00 20.00 H new ATOM 0 HG3 GLU A 46 44.102 19.962 29.979 1.00 20.00 H new ATOM 628 N CYS A 47 46.596 21.402 29.005 1.00 20.00 N ATOM 629 CA CYS A 47 47.313 20.873 27.847 1.00 20.00 C ATOM 630 C CYS A 47 47.082 19.356 27.728 1.00 20.00 C ATOM 631 O CYS A 47 47.672 18.559 28.459 1.00 20.00 O ATOM 632 CB CYS A 47 48.783 21.311 27.924 1.00 20.00 C ATOM 633 SG CYS A 47 49.856 20.785 26.555 1.00 20.00 S ATOM 0 H CYS A 47 47.016 21.123 29.891 1.00 20.00 H new ATOM 0 HA CYS A 47 46.928 21.285 26.915 1.00 20.00 H new ATOM 0 HB2 CYS A 47 48.813 22.399 27.983 1.00 20.00 H new ATOM 0 HB3 CYS A 47 49.205 20.930 28.854 1.00 20.00 H new ATOM 638 N ASN A 48 46.180 18.992 26.803 1.00 20.00 N ATOM 639 CA ASN A 48 45.593 17.669 26.577 1.00 20.00 C ATOM 640 C ASN A 48 45.682 17.273 25.088 1.00 20.00 C ATOM 641 O ASN A 48 45.739 18.159 24.235 1.00 20.00 O ATOM 642 CB ASN A 48 44.133 17.679 27.082 1.00 20.00 C ATOM 643 CG ASN A 48 43.310 18.869 26.586 1.00 20.00 C ATOM 644 OD1 ASN A 48 42.622 18.779 25.574 1.00 20.00 O ATOM 645 ND2 ASN A 48 43.357 19.978 27.323 1.00 20.00 N ATOM 0 H ASN A 48 45.814 19.676 26.140 1.00 20.00 H new ATOM 0 HA ASN A 48 46.153 16.918 27.134 1.00 20.00 H new ATOM 0 HB2 ASN A 48 43.645 16.757 26.768 1.00 20.00 H new ATOM 0 HB3 ASN A 48 44.137 17.682 28.172 1.00 20.00 H new ATOM 0 HD21 ASN A 48 42.808 20.794 27.053 1.00 20.00 H new ATOM 0 HD22 ASN A 48 43.942 20.011 28.158 1.00 20.00 H new ATOM 652 N PRO A 49 45.689 15.964 24.754 1.00 20.00 N ATOM 653 CA PRO A 49 45.979 15.485 23.404 1.00 20.00 C ATOM 654 C PRO A 49 44.894 15.858 22.383 1.00 20.00 C ATOM 655 O PRO A 49 43.752 16.147 22.747 1.00 20.00 O ATOM 656 CB PRO A 49 46.139 13.964 23.538 1.00 20.00 C ATOM 657 CG PRO A 49 45.334 13.619 24.787 1.00 20.00 C ATOM 658 CD PRO A 49 45.557 14.841 25.670 1.00 20.00 C ATOM 0 HA PRO A 49 46.880 15.958 23.014 1.00 20.00 H new ATOM 0 HB2 PRO A 49 45.757 13.443 22.660 1.00 20.00 H new ATOM 0 HB3 PRO A 49 47.186 13.680 23.646 1.00 20.00 H new ATOM 0 HG2 PRO A 49 44.278 13.469 24.561 1.00 20.00 H new ATOM 0 HG3 PRO A 49 45.692 12.705 25.261 1.00 20.00 H new ATOM 0 HD2 PRO A 49 44.721 14.989 26.354 1.00 20.00 H new ATOM 0 HD3 PRO A 49 46.452 14.726 26.281 1.00 20.00 H new ATOM 666 N LEU A 50 45.254 15.788 21.091 1.00 20.00 N ATOM 667 CA LEU A 50 44.298 15.898 19.986 1.00 20.00 C ATOM 668 C LEU A 50 43.320 14.711 19.945 1.00 20.00 C ATOM 669 O LEU A 50 42.235 14.843 19.377 1.00 20.00 O ATOM 670 CB LEU A 50 45.041 16.000 18.643 1.00 20.00 C ATOM 671 CG LEU A 50 45.765 17.340 18.410 1.00 20.00 C ATOM 672 CD1 LEU A 50 46.614 17.246 17.139 1.00 20.00 C ATOM 673 CD2 LEU A 50 44.780 18.509 18.280 1.00 20.00 C ATOM 0 H LEU A 50 46.218 15.653 20.787 1.00 20.00 H new ATOM 0 HA LEU A 50 43.717 16.805 20.155 1.00 20.00 H new ATOM 0 HB2 LEU A 50 45.771 15.193 18.585 1.00 20.00 H new ATOM 0 HB3 LEU A 50 44.327 15.843 17.835 1.00 20.00 H new ATOM 0 HG LEU A 50 46.398 17.532 19.277 1.00 20.00 H new ATOM 0 HD11 LEU A 50 47.127 18.193 16.973 1.00 20.00 H new ATOM 0 HD12 LEU A 50 47.350 16.450 17.251 1.00 20.00 H new ATOM 0 HD13 LEU A 50 45.970 17.028 16.287 1.00 20.00 H new ATOM 0 HD21 LEU A 50 45.333 19.434 18.117 1.00 20.00 H new ATOM 0 HD22 LEU A 50 44.113 18.331 17.436 1.00 20.00 H new ATOM 0 HD23 LEU A 50 44.193 18.594 19.195 1.00 20.00 H new ATOM 685 N ASP A 51 43.685 13.579 20.568 1.00 20.00 N ATOM 686 CA ASP A 51 42.852 12.392 20.741 1.00 20.00 C ATOM 687 C ASP A 51 41.689 12.630 21.718 1.00 20.00 C ATOM 688 O ASP A 51 40.694 11.907 21.662 1.00 20.00 O ATOM 689 CB ASP A 51 43.758 11.245 21.221 1.00 20.00 C ATOM 690 CG ASP A 51 43.021 9.912 21.322 1.00 20.00 C ATOM 691 OD1 ASP A 51 42.817 9.457 22.469 1.00 20.00 O ATOM 692 OD2 ASP A 51 42.658 9.369 20.255 1.00 20.00 O ATOM 0 H ASP A 51 44.611 13.468 20.981 1.00 20.00 H new ATOM 0 HA ASP A 51 42.389 12.137 19.788 1.00 20.00 H new ATOM 0 HB2 ASP A 51 44.598 11.140 20.534 1.00 20.00 H new ATOM 0 HB3 ASP A 51 44.174 11.500 22.196 1.00 20.00 H new ATOM 697 N ARG A 52 41.783 13.656 22.578 1.00 20.00 N ATOM 698 CA ARG A 52 40.693 14.118 23.432 1.00 20.00 C ATOM 699 C ARG A 52 39.597 14.750 22.559 1.00 20.00 C ATOM 700 O ARG A 52 39.908 15.395 21.559 1.00 20.00 O ATOM 701 CB ARG A 52 41.259 15.111 24.469 1.00 20.00 C ATOM 702 CG ARG A 52 40.432 15.199 25.762 1.00 20.00 C ATOM 703 CD ARG A 52 40.594 13.968 26.669 1.00 20.00 C ATOM 704 NE ARG A 52 41.968 13.840 27.184 1.00 20.00 N ATOM 705 CZ ARG A 52 42.488 12.771 27.802 1.00 20.00 C ATOM 706 NH1 ARG A 52 41.770 11.674 28.041 1.00 20.00 N ATOM 707 NH2 ARG A 52 43.759 12.792 28.202 1.00 20.00 N ATOM 0 H ARG A 52 42.641 14.195 22.697 1.00 20.00 H new ATOM 0 HA ARG A 52 40.242 13.287 23.974 1.00 20.00 H new ATOM 0 HB2 ARG A 52 42.278 14.817 24.720 1.00 20.00 H new ATOM 0 HB3 ARG A 52 41.315 16.101 24.017 1.00 20.00 H new ATOM 0 HG2 ARG A 52 40.727 16.091 26.315 1.00 20.00 H new ATOM 0 HG3 ARG A 52 39.379 15.317 25.505 1.00 20.00 H new ATOM 0 HD2 ARG A 52 39.898 14.040 27.505 1.00 20.00 H new ATOM 0 HD3 ARG A 52 40.331 13.069 26.111 1.00 20.00 H new ATOM 0 HE ARG A 52 42.584 14.643 27.058 1.00 20.00 H new ATOM 0 HH11 ARG A 52 40.793 11.631 27.751 1.00 20.00 H new ATOM 0 HH12 ARG A 52 42.197 10.878 28.514 1.00 20.00 H new ATOM 0 HH21 ARG A 52 44.332 13.620 28.037 1.00 20.00 H new ATOM 0 HH22 ARG A 52 44.159 11.980 28.673 1.00 20.00 H new ATOM 721 N GLN A 53 38.320 14.585 22.928 1.00 20.00 N ATOM 722 CA GLN A 53 37.191 15.166 22.199 1.00 20.00 C ATOM 723 C GLN A 53 36.873 16.552 22.757 1.00 20.00 C ATOM 724 O GLN A 53 36.262 16.668 23.817 1.00 20.00 O ATOM 725 CB GLN A 53 35.968 14.241 22.235 1.00 20.00 C ATOM 726 CG GLN A 53 36.215 12.959 21.431 1.00 20.00 C ATOM 727 CD GLN A 53 34.986 12.043 21.341 1.00 20.00 C ATOM 728 OE1 GLN A 53 33.851 12.467 21.549 1.00 20.00 O ATOM 729 NE2 GLN A 53 35.208 10.772 21.006 1.00 20.00 N ATOM 0 H GLN A 53 38.042 14.041 23.745 1.00 20.00 H new ATOM 0 HA GLN A 53 37.468 15.275 21.151 1.00 20.00 H new ATOM 0 HB2 GLN A 53 35.733 13.985 23.268 1.00 20.00 H new ATOM 0 HB3 GLN A 53 35.101 14.765 21.831 1.00 20.00 H new ATOM 0 HG2 GLN A 53 36.532 13.228 20.423 1.00 20.00 H new ATOM 0 HG3 GLN A 53 37.037 12.407 21.887 1.00 20.00 H new ATOM 0 HE21 GLN A 53 36.160 10.447 20.839 1.00 20.00 H new ATOM 0 HE22 GLN A 53 34.425 10.124 20.916 1.00 20.00 H new ATOM 738 N CYS A 54 37.334 17.588 22.044 1.00 20.00 N ATOM 739 CA CYS A 54 37.199 18.997 22.402 1.00 20.00 C ATOM 740 C CYS A 54 37.468 19.905 21.185 1.00 20.00 C ATOM 741 O CYS A 54 37.802 19.416 20.102 1.00 20.00 O ATOM 742 CB CYS A 54 38.150 19.288 23.577 1.00 20.00 C ATOM 743 SG CYS A 54 37.295 19.821 25.082 1.00 20.00 S ATOM 0 H CYS A 54 37.832 17.456 21.164 1.00 20.00 H new ATOM 0 HA CYS A 54 36.178 19.213 22.715 1.00 20.00 H new ATOM 0 HB2 CYS A 54 38.730 18.391 23.796 1.00 20.00 H new ATOM 0 HB3 CYS A 54 38.859 20.060 23.278 1.00 20.00 H new ATOM 748 N LYS A 55 37.309 21.228 21.366 1.00 20.00 N ATOM 749 CA LYS A 55 37.338 22.233 20.299 1.00 20.00 C ATOM 750 C LYS A 55 38.497 23.216 20.497 1.00 20.00 C ATOM 751 O LYS A 55 38.481 24.036 21.415 1.00 20.00 O ATOM 752 CB LYS A 55 35.963 22.920 20.225 1.00 20.00 C ATOM 753 CG LYS A 55 35.857 23.982 19.108 1.00 20.00 C ATOM 754 CD LYS A 55 34.653 23.770 18.180 1.00 20.00 C ATOM 755 CE LYS A 55 33.316 23.832 18.921 1.00 20.00 C ATOM 756 NZ LYS A 55 32.198 23.501 18.020 1.00 20.00 N ATOM 0 H LYS A 55 37.152 21.635 22.288 1.00 20.00 H new ATOM 0 HA LYS A 55 37.525 21.755 19.337 1.00 20.00 H new ATOM 0 HB2 LYS A 55 35.196 22.162 20.067 1.00 20.00 H new ATOM 0 HB3 LYS A 55 35.751 23.392 21.184 1.00 20.00 H new ATOM 0 HG2 LYS A 55 35.787 24.971 19.562 1.00 20.00 H new ATOM 0 HG3 LYS A 55 36.771 23.967 18.515 1.00 20.00 H new ATOM 0 HD2 LYS A 55 34.665 24.529 17.397 1.00 20.00 H new ATOM 0 HD3 LYS A 55 34.746 22.802 17.687 1.00 20.00 H new ATOM 0 HE2 LYS A 55 33.329 23.137 19.761 1.00 20.00 H new ATOM 0 HE3 LYS A 55 33.171 24.830 19.335 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 31.351 23.284 18.583 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 32.002 24.311 17.398 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 32.451 22.674 17.442 1.00 20.00 H new ATOM 770 N GLU A 56 39.492 23.105 19.609 1.00 20.00 N ATOM 771 CA GLU A 56 40.729 23.879 19.566 1.00 20.00 C ATOM 772 C GLU A 56 40.533 25.383 19.290 1.00 20.00 C ATOM 773 O GLU A 56 39.429 25.822 18.968 1.00 20.00 O ATOM 774 CB GLU A 56 41.690 23.228 18.555 1.00 20.00 C ATOM 775 CG GLU A 56 41.400 23.540 17.078 1.00 20.00 C ATOM 776 CD GLU A 56 40.050 23.026 16.567 1.00 20.00 C ATOM 777 OE1 GLU A 56 39.378 23.796 15.846 1.00 20.00 O ATOM 778 OE2 GLU A 56 39.702 21.866 16.880 1.00 20.00 O ATOM 0 H GLU A 56 39.447 22.424 18.851 1.00 20.00 H new ATOM 0 HA GLU A 56 41.163 23.851 20.565 1.00 20.00 H new ATOM 0 HB2 GLU A 56 42.706 23.550 18.785 1.00 20.00 H new ATOM 0 HB3 GLU A 56 41.660 22.147 18.694 1.00 20.00 H new ATOM 0 HG2 GLU A 56 41.440 24.620 16.934 1.00 20.00 H new ATOM 0 HG3 GLU A 56 42.193 23.108 16.467 1.00 20.00 H new ATOM 785 N LEU A 57 41.632 26.156 19.380 1.00 20.00 N ATOM 786 CA LEU A 57 41.767 27.537 18.916 1.00 20.00 C ATOM 787 C LEU A 57 43.201 27.789 18.445 1.00 20.00 C ATOM 788 O LEU A 57 44.137 27.578 19.207 1.00 20.00 O ATOM 789 CB LEU A 57 41.474 28.541 20.045 1.00 20.00 C ATOM 790 CG LEU A 57 40.014 28.691 20.510 1.00 20.00 C ATOM 791 CD1 LEU A 57 39.987 29.747 21.618 1.00 20.00 C ATOM 792 CD2 LEU A 57 39.062 29.147 19.395 1.00 20.00 C ATOM 0 H LEU A 57 42.493 25.808 19.803 1.00 20.00 H new ATOM 0 HA LEU A 57 41.052 27.675 18.105 1.00 20.00 H new ATOM 0 HB2 LEU A 57 42.074 28.257 20.910 1.00 20.00 H new ATOM 0 HB3 LEU A 57 41.825 29.521 19.721 1.00 20.00 H new ATOM 0 HG LEU A 57 39.672 27.712 20.845 1.00 20.00 H new ATOM 0 HD11 LEU A 57 38.964 29.878 21.971 1.00 20.00 H new ATOM 0 HD12 LEU A 57 40.618 29.422 22.446 1.00 20.00 H new ATOM 0 HD13 LEU A 57 40.360 30.694 21.227 1.00 20.00 H new ATOM 0 HD21 LEU A 57 38.051 29.232 19.792 1.00 20.00 H new ATOM 0 HD22 LEU A 57 39.385 30.116 19.015 1.00 20.00 H new ATOM 0 HD23 LEU A 57 39.074 28.417 18.585 1.00 20.00 H new ATOM 804 N GLN A 58 43.374 28.348 17.243 1.00 20.00 N ATOM 805 CA GLN A 58 44.651 28.901 16.796 1.00 20.00 C ATOM 806 C GLN A 58 45.120 30.113 17.625 1.00 20.00 C ATOM 807 O GLN A 58 46.288 30.487 17.535 1.00 20.00 O ATOM 808 CB GLN A 58 44.590 29.220 15.292 1.00 20.00 C ATOM 809 CG GLN A 58 43.546 30.279 14.918 1.00 20.00 C ATOM 810 CD GLN A 58 43.492 30.515 13.406 1.00 20.00 C ATOM 811 OE1 GLN A 58 43.214 29.600 12.638 1.00 20.00 O ATOM 812 NE2 GLN A 58 43.718 31.748 12.962 1.00 20.00 N ATOM 0 H GLN A 58 42.628 28.429 16.552 1.00 20.00 H new ATOM 0 HA GLN A 58 45.409 28.135 16.963 1.00 20.00 H new ATOM 0 HB2 GLN A 58 45.572 29.562 14.964 1.00 20.00 H new ATOM 0 HB3 GLN A 58 44.373 28.302 14.745 1.00 20.00 H new ATOM 0 HG2 GLN A 58 42.565 29.963 15.272 1.00 20.00 H new ATOM 0 HG3 GLN A 58 43.781 31.215 15.424 1.00 20.00 H new ATOM 0 HE21 GLN A 58 43.948 32.493 13.620 1.00 20.00 H new ATOM 0 HE22 GLN A 58 43.662 31.949 11.964 1.00 20.00 H new ATOM 821 N ALA A 59 44.239 30.686 18.462 1.00 20.00 N ATOM 822 CA ALA A 59 44.565 31.663 19.489 1.00 20.00 C ATOM 823 C ALA A 59 45.205 30.983 20.713 1.00 20.00 C ATOM 824 O ALA A 59 46.395 31.182 20.964 1.00 20.00 O ATOM 825 CB ALA A 59 43.298 32.439 19.870 1.00 20.00 C ATOM 0 H ALA A 59 43.244 30.466 18.432 1.00 20.00 H new ATOM 0 HA ALA A 59 45.300 32.367 19.098 1.00 20.00 H new ATOM 0 HB1 ALA A 59 43.538 33.172 20.640 1.00 20.00 H new ATOM 0 HB2 ALA A 59 42.907 32.951 18.991 1.00 20.00 H new ATOM 0 HB3 ALA A 59 42.548 31.746 20.251 1.00 20.00 H new ATOM 831 N GLU A 60 44.414 30.222 21.488 1.00 20.00 N ATOM 832 CA GLU A 60 44.789 29.739 22.820 1.00 20.00 C ATOM 833 C GLU A 60 45.594 28.438 22.776 1.00 20.00 C ATOM 834 O GLU A 60 46.635 28.345 23.428 1.00 20.00 O ATOM 835 CB GLU A 60 43.538 29.548 23.680 1.00 20.00 C ATOM 836 CG GLU A 60 42.831 30.878 23.959 1.00 20.00 C ATOM 837 CD GLU A 60 43.717 31.885 24.699 1.00 20.00 C ATOM 838 OE1 GLU A 60 44.104 31.583 25.850 1.00 20.00 O ATOM 839 OE2 GLU A 60 44.009 32.944 24.101 1.00 20.00 O ATOM 0 H GLU A 60 43.483 29.923 21.199 1.00 20.00 H new ATOM 0 HA GLU A 60 45.434 30.499 23.262 1.00 20.00 H new ATOM 0 HB2 GLU A 60 42.850 28.870 23.175 1.00 20.00 H new ATOM 0 HB3 GLU A 60 43.814 29.078 24.624 1.00 20.00 H new ATOM 0 HG2 GLU A 60 42.505 31.315 23.015 1.00 20.00 H new ATOM 0 HG3 GLU A 60 41.934 30.689 24.549 1.00 20.00 H new ATOM 846 N SER A 61 45.104 27.436 22.031 1.00 20.00 N ATOM 847 CA SER A 61 45.674 26.088 21.971 1.00 20.00 C ATOM 848 C SER A 61 47.034 26.029 21.241 1.00 20.00 C ATOM 849 O SER A 61 47.697 24.992 21.255 1.00 20.00 O ATOM 850 CB SER A 61 44.634 25.111 21.391 1.00 20.00 C ATOM 851 OG SER A 61 44.761 24.887 20.003 1.00 20.00 O ATOM 0 H SER A 61 44.280 27.547 21.440 1.00 20.00 H new ATOM 0 HA SER A 61 45.906 25.776 22.989 1.00 20.00 H new ATOM 0 HB2 SER A 61 44.719 24.157 21.911 1.00 20.00 H new ATOM 0 HB3 SER A 61 43.636 25.497 21.595 1.00 20.00 H new ATOM 0 HG SER A 61 44.579 25.720 19.519 1.00 20.00 H new ATOM 857 N ALA A 62 47.474 27.137 20.629 1.00 20.00 N ATOM 858 CA ALA A 62 48.760 27.274 19.957 1.00 20.00 C ATOM 859 C ALA A 62 49.965 27.230 20.914 1.00 20.00 C ATOM 860 O ALA A 62 51.086 27.056 20.437 1.00 20.00 O ATOM 861 CB ALA A 62 48.744 28.594 19.181 1.00 20.00 C ATOM 0 H ALA A 62 46.918 27.991 20.591 1.00 20.00 H new ATOM 0 HA ALA A 62 48.887 26.420 19.292 1.00 20.00 H new ATOM 0 HB1 ALA A 62 49.696 28.725 18.666 1.00 20.00 H new ATOM 0 HB2 ALA A 62 47.935 28.577 18.450 1.00 20.00 H new ATOM 0 HB3 ALA A 62 48.589 29.421 19.874 1.00 20.00 H new ATOM 867 N SER A 63 49.749 27.369 22.234 1.00 20.00 N ATOM 868 CA SER A 63 50.798 27.445 23.248 1.00 20.00 C ATOM 869 C SER A 63 51.608 26.147 23.356 1.00 20.00 C ATOM 870 O SER A 63 52.831 26.191 23.219 1.00 20.00 O ATOM 871 CB SER A 63 50.173 27.823 24.597 1.00 20.00 C ATOM 872 OG SER A 63 51.183 28.152 25.529 1.00 20.00 O ATOM 0 H SER A 63 48.811 27.433 22.629 1.00 20.00 H new ATOM 0 HA SER A 63 51.505 28.217 22.945 1.00 20.00 H new ATOM 0 HB2 SER A 63 49.497 28.669 24.469 1.00 20.00 H new ATOM 0 HB3 SER A 63 49.576 26.993 24.975 1.00 20.00 H new ATOM 0 HG SER A 63 50.772 28.393 26.385 1.00 20.00 H new ATOM 878 N CYS A 64 50.943 24.999 23.574 1.00 20.00 N ATOM 879 CA CYS A 64 51.594 23.683 23.575 1.00 20.00 C ATOM 880 C CYS A 64 51.955 23.206 22.151 1.00 20.00 C ATOM 881 O CYS A 64 52.775 22.297 22.022 1.00 20.00 O ATOM 882 CB CYS A 64 50.720 22.636 24.289 1.00 20.00 C ATOM 883 SG CYS A 64 50.993 22.422 26.072 1.00 20.00 S ATOM 0 H CYS A 64 49.940 24.960 23.754 1.00 20.00 H new ATOM 0 HA CYS A 64 52.528 23.794 24.126 1.00 20.00 H new ATOM 0 HB2 CYS A 64 49.675 22.904 24.135 1.00 20.00 H new ATOM 0 HB3 CYS A 64 50.878 21.673 23.803 1.00 20.00 H new ATOM 888 N GLY A 65 51.397 23.816 21.089 1.00 20.00 N ATOM 889 CA GLY A 65 51.738 23.513 19.701 1.00 20.00 C ATOM 890 C GLY A 65 51.017 22.273 19.167 1.00 20.00 C ATOM 891 O GLY A 65 49.928 21.933 19.625 1.00 20.00 O ATOM 0 H GLY A 65 50.687 24.543 21.180 1.00 20.00 H new ATOM 0 HA2 GLY A 65 51.488 24.370 19.075 1.00 20.00 H new ATOM 0 HA3 GLY A 65 52.815 23.363 19.621 1.00 20.00 H new ATOM 895 N LYS A 66 51.620 21.627 18.159 1.00 20.00 N ATOM 896 CA LYS A 66 51.111 20.419 17.505 1.00 20.00 C ATOM 897 C LYS A 66 50.973 19.276 18.516 1.00 20.00 C ATOM 898 O LYS A 66 51.972 18.764 19.020 1.00 20.00 O ATOM 899 CB LYS A 66 52.031 20.047 16.327 1.00 20.00 C ATOM 900 CG LYS A 66 51.443 18.903 15.480 1.00 20.00 C ATOM 901 CD LYS A 66 52.372 18.398 14.364 1.00 20.00 C ATOM 902 CE LYS A 66 52.399 19.264 13.097 1.00 20.00 C ATOM 903 NZ LYS A 66 53.149 20.522 13.265 1.00 20.00 N ATOM 0 H LYS A 66 52.506 21.944 17.765 1.00 20.00 H new ATOM 0 HA LYS A 66 50.114 20.609 17.107 1.00 20.00 H new ATOM 0 HB2 LYS A 66 52.186 20.923 15.697 1.00 20.00 H new ATOM 0 HB3 LYS A 66 53.008 19.751 16.709 1.00 20.00 H new ATOM 0 HG2 LYS A 66 51.198 18.069 16.138 1.00 20.00 H new ATOM 0 HG3 LYS A 66 50.508 19.241 15.033 1.00 20.00 H new ATOM 0 HD2 LYS A 66 53.385 18.329 14.760 1.00 20.00 H new ATOM 0 HD3 LYS A 66 52.068 17.388 14.089 1.00 20.00 H new ATOM 0 HE2 LYS A 66 52.843 18.691 12.283 1.00 20.00 H new ATOM 0 HE3 LYS A 66 51.376 19.496 12.802 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 53.580 20.793 12.358 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 52.502 21.273 13.579 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 53.895 20.389 13.977 1.00 20.00 H new ATOM 917 N GLY A 67 49.722 18.913 18.822 1.00 20.00 N ATOM 918 CA GLY A 67 49.349 17.918 19.820 1.00 20.00 C ATOM 919 C GLY A 67 48.377 18.456 20.882 1.00 20.00 C ATOM 920 O GLY A 67 47.991 17.689 21.763 1.00 20.00 O ATOM 0 H GLY A 67 48.912 19.325 18.359 1.00 20.00 H new ATOM 0 HA2 GLY A 67 48.892 17.065 19.319 1.00 20.00 H new ATOM 0 HA3 GLY A 67 50.250 17.553 20.314 1.00 20.00 H new ATOM 924 N GLN A 68 47.974 19.737 20.806 1.00 20.00 N ATOM 925 CA GLN A 68 47.108 20.413 21.767 1.00 20.00 C ATOM 926 C GLN A 68 45.818 20.923 21.105 1.00 20.00 C ATOM 927 O GLN A 68 45.824 21.352 19.948 1.00 20.00 O ATOM 928 CB GLN A 68 47.923 21.540 22.435 1.00 20.00 C ATOM 929 CG GLN A 68 47.130 22.642 23.157 1.00 20.00 C ATOM 930 CD GLN A 68 46.414 22.216 24.431 1.00 20.00 C ATOM 931 OE1 GLN A 68 46.133 21.046 24.658 1.00 20.00 O ATOM 932 NE2 GLN A 68 46.083 23.188 25.278 1.00 20.00 N ATOM 0 H GLN A 68 48.259 20.347 20.040 1.00 20.00 H new ATOM 0 HA GLN A 68 46.778 19.713 22.534 1.00 20.00 H new ATOM 0 HB2 GLN A 68 48.603 21.085 23.155 1.00 20.00 H new ATOM 0 HB3 GLN A 68 48.539 22.012 21.669 1.00 20.00 H new ATOM 0 HG2 GLN A 68 47.814 23.455 23.401 1.00 20.00 H new ATOM 0 HG3 GLN A 68 46.391 23.045 22.464 1.00 20.00 H new ATOM 0 HE21 GLN A 68 46.329 24.155 25.066 1.00 20.00 H new ATOM 0 HE22 GLN A 68 45.584 22.966 26.139 1.00 20.00 H new ATOM 941 N LYS A 69 44.745 20.950 21.908 1.00 20.00 N ATOM 942 CA LYS A 69 43.487 21.642 21.660 1.00 20.00 C ATOM 943 C LYS A 69 42.971 22.249 22.970 1.00 20.00 C ATOM 944 O LYS A 69 43.217 21.714 24.053 1.00 20.00 O ATOM 945 CB LYS A 69 42.457 20.689 21.031 1.00 20.00 C ATOM 946 CG LYS A 69 42.283 19.364 21.795 1.00 20.00 C ATOM 947 CD LYS A 69 41.105 18.534 21.273 1.00 20.00 C ATOM 948 CE LYS A 69 41.221 18.213 19.776 1.00 20.00 C ATOM 949 NZ LYS A 69 40.178 17.273 19.340 1.00 20.00 N ATOM 0 H LYS A 69 44.739 20.457 22.801 1.00 20.00 H new ATOM 0 HA LYS A 69 43.652 22.450 20.948 1.00 20.00 H new ATOM 0 HB2 LYS A 69 41.493 21.195 20.978 1.00 20.00 H new ATOM 0 HB3 LYS A 69 42.758 20.469 20.007 1.00 20.00 H new ATOM 0 HG2 LYS A 69 43.199 18.779 21.714 1.00 20.00 H new ATOM 0 HG3 LYS A 69 42.133 19.576 22.854 1.00 20.00 H new ATOM 0 HD2 LYS A 69 41.045 17.603 21.836 1.00 20.00 H new ATOM 0 HD3 LYS A 69 40.177 19.076 21.453 1.00 20.00 H new ATOM 0 HE2 LYS A 69 41.145 19.135 19.199 1.00 20.00 H new ATOM 0 HE3 LYS A 69 42.203 17.788 19.570 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 40.476 16.808 18.459 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 40.028 16.555 20.077 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 39.291 17.791 19.175 1.00 20.00 H new ATOM 963 N CYS A 70 42.219 23.358 22.871 1.00 20.00 N ATOM 964 CA CYS A 70 41.534 23.954 24.022 1.00 20.00 C ATOM 965 C CYS A 70 40.492 22.974 24.554 1.00 20.00 C ATOM 966 O CYS A 70 39.701 22.428 23.787 1.00 20.00 O ATOM 967 CB CYS A 70 40.896 25.296 23.649 1.00 20.00 C ATOM 968 SG CYS A 70 39.728 25.890 24.912 1.00 20.00 S ATOM 0 H CYS A 70 42.072 23.861 21.996 1.00 20.00 H new ATOM 0 HA CYS A 70 42.264 24.153 24.807 1.00 20.00 H new ATOM 0 HB2 CYS A 70 41.680 26.040 23.506 1.00 20.00 H new ATOM 0 HB3 CYS A 70 40.375 25.195 22.697 1.00 20.00 H new ATOM 0 HG CYS A 70 39.226 27.029 24.537 1.00 20.00 H new ATOM 973 N CYS A 71 40.491 22.774 25.878 1.00 20.00 N ATOM 974 CA CYS A 71 39.513 21.948 26.571 1.00 20.00 C ATOM 975 C CYS A 71 39.420 22.355 28.045 1.00 20.00 C ATOM 976 O CYS A 71 40.387 22.201 28.795 1.00 20.00 O ATOM 977 CB CYS A 71 39.919 20.477 26.424 1.00 20.00 C ATOM 978 SG CYS A 71 38.551 19.295 26.594 1.00 20.00 S ATOM 0 H CYS A 71 41.183 23.191 26.501 1.00 20.00 H new ATOM 0 HA CYS A 71 38.526 22.090 26.131 1.00 20.00 H new ATOM 0 HB2 CYS A 71 40.383 20.338 25.448 1.00 20.00 H new ATOM 0 HB3 CYS A 71 40.677 20.246 27.173 1.00 20.00 H new ATOM 983 N VAL A 72 38.253 22.873 28.459 1.00 20.00 N ATOM 984 CA VAL A 72 37.907 23.132 29.860 1.00 20.00 C ATOM 985 C VAL A 72 36.389 23.018 30.084 1.00 20.00 C ATOM 986 O VAL A 72 35.600 23.108 29.142 1.00 20.00 O ATOM 987 CB VAL A 72 38.500 24.491 30.296 1.00 20.00 C ATOM 988 CG1 VAL A 72 37.816 25.702 29.651 1.00 20.00 C ATOM 989 CG2 VAL A 72 38.513 24.650 31.824 1.00 20.00 C ATOM 0 H VAL A 72 37.508 23.128 27.811 1.00 20.00 H new ATOM 0 HA VAL A 72 38.352 22.370 30.500 1.00 20.00 H new ATOM 0 HB VAL A 72 39.527 24.473 29.931 1.00 20.00 H new ATOM 0 HG11 VAL A 72 38.288 26.618 30.006 1.00 20.00 H new ATOM 0 HG12 VAL A 72 37.913 25.640 28.567 1.00 20.00 H new ATOM 0 HG13 VAL A 72 36.760 25.710 29.920 1.00 20.00 H new ATOM 0 HG21 VAL A 72 38.938 25.619 32.085 1.00 20.00 H new ATOM 0 HG22 VAL A 72 37.494 24.586 32.205 1.00 20.00 H new ATOM 0 HG23 VAL A 72 39.117 23.858 32.267 1.00 20.00 H new