USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=12 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 48 ASN : amide:sc= -1.02 K(o=-0.5,f=-1.2) USER MOD Set 1.2: A 69 LYS NZ :NH3+ -106:sc= 0.523 (180deg=-1.57!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0155 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= 0.118 USER MOD Single : A 35 SER OG : rot -28:sc= 0.145 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0417) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot -79:sc= 0.453 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0.104 K(o=0.1,f=-3.2!) USER MOD Single : A 70 CYS SG : rot 143:sc= 0.407 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 12.223 39.511 30.222 1.00 20.00 N ATOM 18 CA GLU A 2 12.539 38.092 30.399 1.00 20.00 C ATOM 19 C GLU A 2 13.995 37.754 30.047 1.00 20.00 C ATOM 20 O GLU A 2 14.606 36.919 30.712 1.00 20.00 O ATOM 21 CB GLU A 2 11.573 37.269 29.539 1.00 20.00 C ATOM 22 CG GLU A 2 11.513 35.794 29.957 1.00 20.00 C ATOM 23 CD GLU A 2 10.933 35.558 31.355 1.00 20.00 C ATOM 24 OE1 GLU A 2 9.963 36.257 31.725 1.00 20.00 O ATOM 25 OE2 GLU A 2 11.447 34.643 32.036 1.00 20.00 O ATOM 0 HA GLU A 2 12.421 37.846 31.454 1.00 20.00 H new ATOM 0 HB2 GLU A 2 10.575 37.702 29.607 1.00 20.00 H new ATOM 0 HB3 GLU A 2 11.878 37.334 28.495 1.00 20.00 H new ATOM 0 HG2 GLU A 2 10.913 35.247 29.230 1.00 20.00 H new ATOM 0 HG3 GLU A 2 12.519 35.376 29.919 1.00 20.00 H new ATOM 32 N CYS A 3 14.548 38.420 29.023 1.00 20.00 N ATOM 33 CA CYS A 3 15.917 38.226 28.554 1.00 20.00 C ATOM 34 C CYS A 3 16.951 38.610 29.627 1.00 20.00 C ATOM 35 O CYS A 3 17.971 37.934 29.764 1.00 20.00 O ATOM 36 CB CYS A 3 16.096 39.036 27.262 1.00 20.00 C ATOM 37 SG CYS A 3 17.429 38.476 26.170 1.00 20.00 S ATOM 0 H CYS A 3 14.039 39.124 28.489 1.00 20.00 H new ATOM 0 HA CYS A 3 16.090 37.170 28.348 1.00 20.00 H new ATOM 0 HB2 CYS A 3 15.159 39.011 26.705 1.00 20.00 H new ATOM 0 HB3 CYS A 3 16.281 40.077 27.529 1.00 20.00 H new ATOM 42 N VAL A 4 16.655 39.658 30.416 1.00 20.00 N ATOM 43 CA VAL A 4 17.453 40.112 31.559 1.00 20.00 C ATOM 44 C VAL A 4 17.233 39.193 32.773 1.00 20.00 C ATOM 45 O VAL A 4 18.201 38.857 33.456 1.00 20.00 O ATOM 46 CB VAL A 4 17.098 41.582 31.900 1.00 20.00 C ATOM 47 CG1 VAL A 4 17.895 42.104 33.108 1.00 20.00 C ATOM 48 CG2 VAL A 4 17.360 42.517 30.705 1.00 20.00 C ATOM 0 H VAL A 4 15.823 40.229 30.266 1.00 20.00 H new ATOM 0 HA VAL A 4 18.509 40.064 31.294 1.00 20.00 H new ATOM 0 HB VAL A 4 16.036 41.584 32.144 1.00 20.00 H new ATOM 0 HG11 VAL A 4 17.614 43.137 33.310 1.00 20.00 H new ATOM 0 HG12 VAL A 4 17.675 41.490 33.982 1.00 20.00 H new ATOM 0 HG13 VAL A 4 18.962 42.055 32.889 1.00 20.00 H new ATOM 0 HG21 VAL A 4 17.100 43.539 30.979 1.00 20.00 H new ATOM 0 HG22 VAL A 4 18.414 42.471 30.432 1.00 20.00 H new ATOM 0 HG23 VAL A 4 16.751 42.203 29.857 1.00 20.00 H new ATOM 58 N SER A 5 15.979 38.784 33.036 1.00 20.00 N ATOM 59 CA SER A 5 15.590 37.955 34.182 1.00 20.00 C ATOM 60 C SER A 5 16.255 36.573 34.167 1.00 20.00 C ATOM 61 O SER A 5 16.668 36.087 35.221 1.00 20.00 O ATOM 62 CB SER A 5 14.065 37.788 34.209 1.00 20.00 C ATOM 63 OG SER A 5 13.425 39.029 34.423 1.00 20.00 O ATOM 0 H SER A 5 15.190 39.030 32.439 1.00 20.00 H new ATOM 0 HA SER A 5 15.932 38.471 35.079 1.00 20.00 H new ATOM 0 HB2 SER A 5 13.726 37.357 33.267 1.00 20.00 H new ATOM 0 HB3 SER A 5 13.786 37.090 34.998 1.00 20.00 H new ATOM 0 HG SER A 5 12.454 38.898 34.435 1.00 20.00 H new ATOM 69 N LYS A 6 16.388 35.962 32.979 1.00 20.00 N ATOM 70 CA LYS A 6 17.071 34.683 32.770 1.00 20.00 C ATOM 71 C LYS A 6 18.603 34.785 32.914 1.00 20.00 C ATOM 72 O LYS A 6 19.258 33.752 33.070 1.00 20.00 O ATOM 73 CB LYS A 6 16.721 34.147 31.372 1.00 20.00 C ATOM 74 CG LYS A 6 15.269 33.671 31.203 1.00 20.00 C ATOM 75 CD LYS A 6 15.017 32.328 31.900 1.00 20.00 C ATOM 76 CE LYS A 6 13.627 31.801 31.536 1.00 20.00 C ATOM 77 NZ LYS A 6 13.368 30.493 32.165 1.00 20.00 N ATOM 0 H LYS A 6 16.012 36.357 32.117 1.00 20.00 H new ATOM 0 HA LYS A 6 16.725 34.001 33.547 1.00 20.00 H new ATOM 0 HB2 LYS A 6 16.918 34.930 30.639 1.00 20.00 H new ATOM 0 HB3 LYS A 6 17.389 33.317 31.140 1.00 20.00 H new ATOM 0 HG2 LYS A 6 14.592 34.422 31.609 1.00 20.00 H new ATOM 0 HG3 LYS A 6 15.040 33.577 30.141 1.00 20.00 H new ATOM 0 HD2 LYS A 6 15.778 31.606 31.602 1.00 20.00 H new ATOM 0 HD3 LYS A 6 15.098 32.449 32.980 1.00 20.00 H new ATOM 0 HE2 LYS A 6 12.869 32.517 31.855 1.00 20.00 H new ATOM 0 HE3 LYS A 6 13.543 31.709 30.453 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 12.418 30.162 31.900 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 14.078 29.805 31.841 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 13.425 30.588 33.199 1.00 20.00 H new ATOM 91 N GLY A 7 19.167 36.004 32.878 1.00 20.00 N ATOM 92 CA GLY A 7 20.588 36.282 33.083 1.00 20.00 C ATOM 93 C GLY A 7 21.389 36.489 31.792 1.00 20.00 C ATOM 94 O GLY A 7 22.591 36.749 31.868 1.00 20.00 O ATOM 0 H GLY A 7 18.623 36.848 32.699 1.00 20.00 H new ATOM 0 HA2 GLY A 7 20.685 37.174 33.702 1.00 20.00 H new ATOM 0 HA3 GLY A 7 21.030 35.456 33.641 1.00 20.00 H new ATOM 98 N PHE A 8 20.749 36.380 30.618 1.00 20.00 N ATOM 99 CA PHE A 8 21.361 36.640 29.315 1.00 20.00 C ATOM 100 C PHE A 8 21.543 38.149 29.073 1.00 20.00 C ATOM 101 O PHE A 8 21.146 38.981 29.892 1.00 20.00 O ATOM 102 CB PHE A 8 20.512 35.996 28.208 1.00 20.00 C ATOM 103 CG PHE A 8 20.187 34.530 28.433 1.00 20.00 C ATOM 104 CD1 PHE A 8 21.219 33.573 28.492 1.00 20.00 C ATOM 105 CD2 PHE A 8 18.849 34.119 28.582 1.00 20.00 C ATOM 106 CE1 PHE A 8 20.912 32.216 28.696 1.00 20.00 C ATOM 107 CE2 PHE A 8 18.544 32.760 28.769 1.00 20.00 C ATOM 108 CZ PHE A 8 19.574 31.807 28.825 1.00 20.00 C ATOM 0 H PHE A 8 19.770 36.102 30.551 1.00 20.00 H new ATOM 0 HA PHE A 8 22.355 36.193 29.300 1.00 20.00 H new ATOM 0 HB2 PHE A 8 19.579 36.551 28.115 1.00 20.00 H new ATOM 0 HB3 PHE A 8 21.039 36.096 27.259 1.00 20.00 H new ATOM 0 HD1 PHE A 8 22.248 33.882 28.380 1.00 20.00 H new ATOM 0 HD2 PHE A 8 18.055 34.850 28.553 1.00 20.00 H new ATOM 0 HE1 PHE A 8 21.706 31.487 28.754 1.00 20.00 H new ATOM 0 HE2 PHE A 8 17.515 32.448 28.870 1.00 20.00 H new ATOM 0 HZ PHE A 8 19.338 30.763 28.967 1.00 20.00 H new ATOM 118 N GLY A 9 22.159 38.492 27.935 1.00 20.00 N ATOM 119 CA GLY A 9 22.500 39.856 27.545 1.00 20.00 C ATOM 120 C GLY A 9 21.691 40.342 26.343 1.00 20.00 C ATOM 121 O GLY A 9 20.885 39.606 25.770 1.00 20.00 O ATOM 0 H GLY A 9 22.441 37.800 27.240 1.00 20.00 H new ATOM 0 HA2 GLY A 9 22.329 40.525 28.388 1.00 20.00 H new ATOM 0 HA3 GLY A 9 23.563 39.908 27.308 1.00 20.00 H new ATOM 125 N CYS A 10 21.948 41.600 25.964 1.00 20.00 N ATOM 126 CA CYS A 10 21.363 42.269 24.812 1.00 20.00 C ATOM 127 C CYS A 10 22.470 42.948 23.991 1.00 20.00 C ATOM 128 O CYS A 10 22.545 44.177 23.921 1.00 20.00 O ATOM 129 CB CYS A 10 20.278 43.266 25.253 1.00 20.00 C ATOM 130 SG CYS A 10 18.905 42.606 26.236 1.00 20.00 S ATOM 0 H CYS A 10 22.596 42.197 26.477 1.00 20.00 H new ATOM 0 HA CYS A 10 20.875 41.531 24.175 1.00 20.00 H new ATOM 0 HB2 CYS A 10 20.758 44.056 25.830 1.00 20.00 H new ATOM 0 HB3 CYS A 10 19.862 43.731 24.359 1.00 20.00 H new ATOM 135 N LEU A 11 23.329 42.136 23.356 1.00 20.00 N ATOM 136 CA LEU A 11 24.284 42.604 22.350 1.00 20.00 C ATOM 137 C LEU A 11 23.514 43.098 21.110 1.00 20.00 C ATOM 138 O LEU A 11 22.402 42.634 20.864 1.00 20.00 O ATOM 139 CB LEU A 11 25.237 41.460 21.950 1.00 20.00 C ATOM 140 CG LEU A 11 26.469 41.293 22.859 1.00 20.00 C ATOM 141 CD1 LEU A 11 26.107 40.833 24.277 1.00 20.00 C ATOM 142 CD2 LEU A 11 27.420 40.271 22.219 1.00 20.00 C ATOM 0 H LEU A 11 23.378 41.132 23.530 1.00 20.00 H new ATOM 0 HA LEU A 11 24.873 43.422 22.766 1.00 20.00 H new ATOM 0 HB2 LEU A 11 24.677 40.525 21.947 1.00 20.00 H new ATOM 0 HB3 LEU A 11 25.578 41.631 20.929 1.00 20.00 H new ATOM 0 HG LEU A 11 26.944 42.270 22.953 1.00 20.00 H new ATOM 0 HD11 LEU A 11 27.016 40.733 24.870 1.00 20.00 H new ATOM 0 HD12 LEU A 11 25.450 41.568 24.741 1.00 20.00 H new ATOM 0 HD13 LEU A 11 25.598 39.870 24.228 1.00 20.00 H new ATOM 0 HD21 LEU A 11 28.297 40.143 22.853 1.00 20.00 H new ATOM 0 HD22 LEU A 11 26.908 39.315 22.112 1.00 20.00 H new ATOM 0 HD23 LEU A 11 27.731 40.628 21.237 1.00 20.00 H new ATOM 154 N PRO A 12 24.094 43.996 20.290 1.00 20.00 N ATOM 155 CA PRO A 12 23.482 44.432 19.040 1.00 20.00 C ATOM 156 C PRO A 12 23.531 43.319 17.986 1.00 20.00 C ATOM 157 O PRO A 12 24.272 42.345 18.124 1.00 20.00 O ATOM 158 CB PRO A 12 24.288 45.664 18.613 1.00 20.00 C ATOM 159 CG PRO A 12 25.682 45.365 19.159 1.00 20.00 C ATOM 160 CD PRO A 12 25.390 44.633 20.471 1.00 20.00 C ATOM 0 HA PRO A 12 22.425 44.671 19.158 1.00 20.00 H new ATOM 0 HB2 PRO A 12 24.296 45.786 17.530 1.00 20.00 H new ATOM 0 HB3 PRO A 12 23.877 46.582 19.034 1.00 20.00 H new ATOM 0 HG2 PRO A 12 26.260 44.747 18.472 1.00 20.00 H new ATOM 0 HG3 PRO A 12 26.254 46.278 19.325 1.00 20.00 H new ATOM 0 HD2 PRO A 12 26.162 43.894 20.687 1.00 20.00 H new ATOM 0 HD3 PRO A 12 25.370 45.328 21.310 1.00 20.00 H new ATOM 168 N GLN A 13 22.766 43.495 16.902 1.00 20.00 N ATOM 169 CA GLN A 13 22.777 42.594 15.747 1.00 20.00 C ATOM 170 C GLN A 13 24.151 42.586 15.040 1.00 20.00 C ATOM 171 O GLN A 13 24.490 41.614 14.365 1.00 20.00 O ATOM 172 CB GLN A 13 21.676 43.014 14.759 1.00 20.00 C ATOM 173 CG GLN A 13 20.259 42.839 15.328 1.00 20.00 C ATOM 174 CD GLN A 13 19.195 43.250 14.311 1.00 20.00 C ATOM 175 OE1 GLN A 13 18.921 42.518 13.362 1.00 20.00 O ATOM 176 NE2 GLN A 13 18.590 44.423 14.499 1.00 20.00 N ATOM 0 H GLN A 13 22.116 44.275 16.803 1.00 20.00 H new ATOM 0 HA GLN A 13 22.587 41.582 16.104 1.00 20.00 H new ATOM 0 HB2 GLN A 13 21.824 44.058 14.481 1.00 20.00 H new ATOM 0 HB3 GLN A 13 21.770 42.425 13.847 1.00 20.00 H new ATOM 0 HG2 GLN A 13 20.107 41.799 15.616 1.00 20.00 H new ATOM 0 HG3 GLN A 13 20.152 43.439 16.232 1.00 20.00 H new ATOM 0 HE21 GLN A 13 18.843 45.005 15.298 1.00 20.00 H new ATOM 0 HE22 GLN A 13 17.875 44.739 13.844 1.00 20.00 H new ATOM 185 N SER A 14 24.951 43.650 15.219 1.00 20.00 N ATOM 186 CA SER A 14 26.287 43.809 14.653 1.00 20.00 C ATOM 187 C SER A 14 27.362 42.944 15.338 1.00 20.00 C ATOM 188 O SER A 14 28.433 42.761 14.758 1.00 20.00 O ATOM 189 CB SER A 14 26.691 45.287 14.766 1.00 20.00 C ATOM 190 OG SER A 14 25.773 46.137 14.088 1.00 20.00 O ATOM 0 H SER A 14 24.667 44.450 15.785 1.00 20.00 H new ATOM 0 HA SER A 14 26.235 43.475 13.617 1.00 20.00 H new ATOM 0 HB2 SER A 14 26.742 45.571 15.817 1.00 20.00 H new ATOM 0 HB3 SER A 14 27.689 45.424 14.350 1.00 20.00 H new ATOM 0 HG SER A 14 26.060 47.069 14.182 1.00 20.00 H new ATOM 196 N ASP A 15 27.095 42.410 16.543 1.00 20.00 N ATOM 197 CA ASP A 15 28.054 41.667 17.360 1.00 20.00 C ATOM 198 C ASP A 15 27.531 40.284 17.772 1.00 20.00 C ATOM 199 O ASP A 15 28.312 39.333 17.796 1.00 20.00 O ATOM 200 CB ASP A 15 28.403 42.495 18.605 1.00 20.00 C ATOM 201 CG ASP A 15 29.160 43.794 18.306 1.00 20.00 C ATOM 202 OD1 ASP A 15 28.886 44.788 19.013 1.00 20.00 O ATOM 203 OD2 ASP A 15 30.024 43.789 17.399 1.00 20.00 O ATOM 0 H ASP A 15 26.178 42.489 16.982 1.00 20.00 H new ATOM 0 HA ASP A 15 28.946 41.497 16.756 1.00 20.00 H new ATOM 0 HB2 ASP A 15 27.482 42.738 19.135 1.00 20.00 H new ATOM 0 HB3 ASP A 15 29.005 41.883 19.277 1.00 20.00 H new ATOM 208 N CYS A 16 26.232 40.160 18.084 1.00 20.00 N ATOM 209 CA CYS A 16 25.594 38.894 18.410 1.00 20.00 C ATOM 210 C CYS A 16 25.469 38.025 17.145 1.00 20.00 C ATOM 211 O CYS A 16 24.878 38.485 16.162 1.00 20.00 O ATOM 212 CB CYS A 16 24.200 39.136 19.005 1.00 20.00 C ATOM 213 SG CYS A 16 23.447 37.622 19.660 1.00 20.00 S ATOM 0 H CYS A 16 25.593 40.954 18.115 1.00 20.00 H new ATOM 0 HA CYS A 16 26.210 38.376 19.145 1.00 20.00 H new ATOM 0 HB2 CYS A 16 24.273 39.875 19.803 1.00 20.00 H new ATOM 0 HB3 CYS A 16 23.550 39.558 18.238 1.00 20.00 H new ATOM 218 N PRO A 17 25.969 36.771 17.157 1.00 20.00 N ATOM 219 CA PRO A 17 25.754 35.828 16.068 1.00 20.00 C ATOM 220 C PRO A 17 24.277 35.404 16.032 1.00 20.00 C ATOM 221 O PRO A 17 23.582 35.438 17.048 1.00 20.00 O ATOM 222 CB PRO A 17 26.705 34.661 16.361 1.00 20.00 C ATOM 223 CG PRO A 17 26.763 34.637 17.887 1.00 20.00 C ATOM 224 CD PRO A 17 26.678 36.119 18.251 1.00 20.00 C ATOM 0 HA PRO A 17 25.962 36.247 15.083 1.00 20.00 H new ATOM 0 HB2 PRO A 17 26.327 33.722 15.957 1.00 20.00 H new ATOM 0 HB3 PRO A 17 27.690 34.823 15.923 1.00 20.00 H new ATOM 0 HG2 PRO A 17 25.938 34.067 18.314 1.00 20.00 H new ATOM 0 HG3 PRO A 17 27.685 34.183 18.250 1.00 20.00 H new ATOM 0 HD2 PRO A 17 26.149 36.258 19.194 1.00 20.00 H new ATOM 0 HD3 PRO A 17 27.673 36.546 18.378 1.00 20.00 H new ATOM 232 N GLN A 18 23.798 35.014 14.846 1.00 20.00 N ATOM 233 CA GLN A 18 22.372 34.830 14.548 1.00 20.00 C ATOM 234 C GLN A 18 21.782 33.566 15.196 1.00 20.00 C ATOM 235 O GLN A 18 20.563 33.437 15.309 1.00 20.00 O ATOM 236 CB GLN A 18 22.179 34.840 13.020 1.00 20.00 C ATOM 237 CG GLN A 18 22.335 36.265 12.455 1.00 20.00 C ATOM 238 CD GLN A 18 22.517 36.309 10.936 1.00 20.00 C ATOM 239 OE1 GLN A 18 21.893 35.554 10.194 1.00 20.00 O ATOM 240 NE2 GLN A 18 23.370 37.212 10.455 1.00 20.00 N ATOM 0 H GLN A 18 24.403 34.813 14.049 1.00 20.00 H new ATOM 0 HA GLN A 18 21.817 35.658 14.989 1.00 20.00 H new ATOM 0 HB2 GLN A 18 22.908 34.178 12.553 1.00 20.00 H new ATOM 0 HB3 GLN A 18 21.191 34.452 12.772 1.00 20.00 H new ATOM 0 HG2 GLN A 18 21.456 36.851 12.724 1.00 20.00 H new ATOM 0 HG3 GLN A 18 23.193 36.742 12.929 1.00 20.00 H new ATOM 0 HE21 GLN A 18 23.875 37.827 11.093 1.00 20.00 H new ATOM 0 HE22 GLN A 18 23.518 37.289 9.449 1.00 20.00 H new ATOM 249 N GLU A 19 22.654 32.671 15.668 1.00 20.00 N ATOM 250 CA GLU A 19 22.365 31.452 16.409 1.00 20.00 C ATOM 251 C GLU A 19 22.005 31.735 17.876 1.00 20.00 C ATOM 252 O GLU A 19 21.074 31.123 18.401 1.00 20.00 O ATOM 253 CB GLU A 19 23.572 30.499 16.304 1.00 20.00 C ATOM 254 CG GLU A 19 24.943 31.168 16.513 1.00 20.00 C ATOM 255 CD GLU A 19 26.085 30.155 16.465 1.00 20.00 C ATOM 256 OE1 GLU A 19 26.206 29.379 17.439 1.00 20.00 O ATOM 257 OE2 GLU A 19 26.840 30.177 15.468 1.00 20.00 O ATOM 0 H GLU A 19 23.657 32.795 15.528 1.00 20.00 H new ATOM 0 HA GLU A 19 21.488 30.979 15.966 1.00 20.00 H new ATOM 0 HB2 GLU A 19 23.455 29.705 17.041 1.00 20.00 H new ATOM 0 HB3 GLU A 19 23.560 30.027 15.322 1.00 20.00 H new ATOM 0 HG2 GLU A 19 25.098 31.926 15.745 1.00 20.00 H new ATOM 0 HG3 GLU A 19 24.953 31.681 17.474 1.00 20.00 H new ATOM 264 N ALA A 20 22.733 32.654 18.529 1.00 20.00 N ATOM 265 CA ALA A 20 22.568 33.001 19.939 1.00 20.00 C ATOM 266 C ALA A 20 21.350 33.901 20.213 1.00 20.00 C ATOM 267 O ALA A 20 20.990 34.073 21.375 1.00 20.00 O ATOM 268 CB ALA A 20 23.854 33.678 20.431 1.00 20.00 C ATOM 0 H ALA A 20 23.472 33.188 18.073 1.00 20.00 H new ATOM 0 HA ALA A 20 22.381 32.077 20.485 1.00 20.00 H new ATOM 0 HB1 ALA A 20 23.746 33.943 21.483 1.00 20.00 H new ATOM 0 HB2 ALA A 20 24.694 32.993 20.314 1.00 20.00 H new ATOM 0 HB3 ALA A 20 24.037 34.580 19.846 1.00 20.00 H new ATOM 274 N ARG A 21 20.710 34.469 19.177 1.00 20.00 N ATOM 275 CA ARG A 21 19.573 35.385 19.310 1.00 20.00 C ATOM 276 C ARG A 21 18.340 34.659 19.860 1.00 20.00 C ATOM 277 O ARG A 21 17.733 33.849 19.160 1.00 20.00 O ATOM 278 CB ARG A 21 19.259 36.054 17.963 1.00 20.00 C ATOM 279 CG ARG A 21 20.404 36.962 17.505 1.00 20.00 C ATOM 280 CD ARG A 21 20.119 37.547 16.123 1.00 20.00 C ATOM 281 NE ARG A 21 21.297 38.258 15.613 1.00 20.00 N ATOM 282 CZ ARG A 21 21.334 39.018 14.514 1.00 20.00 C ATOM 283 NH1 ARG A 21 20.231 39.324 13.826 1.00 20.00 N ATOM 284 NH2 ARG A 21 22.510 39.469 14.090 1.00 20.00 N ATOM 0 H ARG A 21 20.976 34.299 18.207 1.00 20.00 H new ATOM 0 HA ARG A 21 19.846 36.162 20.024 1.00 20.00 H new ATOM 0 HB2 ARG A 21 19.077 35.288 17.209 1.00 20.00 H new ATOM 0 HB3 ARG A 21 18.343 36.638 18.051 1.00 20.00 H new ATOM 0 HG2 ARG A 21 20.543 37.769 18.224 1.00 20.00 H new ATOM 0 HG3 ARG A 21 21.335 36.395 17.479 1.00 20.00 H new ATOM 0 HD2 ARG A 21 19.842 36.749 15.434 1.00 20.00 H new ATOM 0 HD3 ARG A 21 19.271 38.229 16.178 1.00 20.00 H new ATOM 0 HE ARG A 21 22.163 38.164 16.143 1.00 20.00 H new ATOM 0 HH11 ARG A 21 19.324 38.975 14.135 1.00 20.00 H new ATOM 0 HH12 ARG A 21 20.296 39.907 12.991 1.00 20.00 H new ATOM 0 HH21 ARG A 21 23.361 39.234 14.601 1.00 20.00 H new ATOM 0 HH22 ARG A 21 22.562 40.051 13.254 1.00 20.00 H new ATOM 298 N LEU A 22 17.989 34.941 21.121 1.00 20.00 N ATOM 299 CA LEU A 22 16.870 34.324 21.837 1.00 20.00 C ATOM 300 C LEU A 22 15.511 34.884 21.390 1.00 20.00 C ATOM 301 O LEU A 22 15.434 35.855 20.635 1.00 20.00 O ATOM 302 CB LEU A 22 17.057 34.538 23.352 1.00 20.00 C ATOM 303 CG LEU A 22 18.303 33.823 23.914 1.00 20.00 C ATOM 304 CD1 LEU A 22 18.703 34.447 25.252 1.00 20.00 C ATOM 305 CD2 LEU A 22 18.017 32.327 24.109 1.00 20.00 C ATOM 0 H LEU A 22 18.492 35.625 21.686 1.00 20.00 H new ATOM 0 HA LEU A 22 16.869 33.259 21.603 1.00 20.00 H new ATOM 0 HB2 LEU A 22 17.136 35.606 23.555 1.00 20.00 H new ATOM 0 HB3 LEU A 22 16.172 34.178 23.876 1.00 20.00 H new ATOM 0 HG LEU A 22 19.121 33.938 23.202 1.00 20.00 H new ATOM 0 HD11 LEU A 22 19.584 33.937 25.643 1.00 20.00 H new ATOM 0 HD12 LEU A 22 18.930 35.503 25.108 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.881 34.346 25.961 1.00 20.00 H new ATOM 0 HD21 LEU A 22 18.905 31.835 24.506 1.00 20.00 H new ATOM 0 HD22 LEU A 22 17.190 32.203 24.808 1.00 20.00 H new ATOM 0 HD23 LEU A 22 17.752 31.879 23.151 1.00 20.00 H new ATOM 317 N SER A 23 14.440 34.252 21.889 1.00 20.00 N ATOM 318 CA SER A 23 13.047 34.611 21.619 1.00 20.00 C ATOM 319 C SER A 23 12.480 35.618 22.633 1.00 20.00 C ATOM 320 O SER A 23 11.395 36.153 22.404 1.00 20.00 O ATOM 321 CB SER A 23 12.184 33.338 21.631 1.00 20.00 C ATOM 322 OG SER A 23 12.609 32.418 20.638 1.00 20.00 O ATOM 0 H SER A 23 14.526 33.450 22.513 1.00 20.00 H new ATOM 0 HA SER A 23 13.022 35.091 20.641 1.00 20.00 H new ATOM 0 HB2 SER A 23 12.239 32.868 22.613 1.00 20.00 H new ATOM 0 HB3 SER A 23 11.140 33.602 21.462 1.00 20.00 H new ATOM 0 HG SER A 23 12.044 31.618 20.670 1.00 20.00 H new ATOM 328 N TYR A 24 13.189 35.877 23.744 1.00 20.00 N ATOM 329 CA TYR A 24 12.751 36.757 24.828 1.00 20.00 C ATOM 330 C TYR A 24 12.774 38.246 24.439 1.00 20.00 C ATOM 331 O TYR A 24 13.223 38.615 23.352 1.00 20.00 O ATOM 332 CB TYR A 24 13.629 36.509 26.065 1.00 20.00 C ATOM 333 CG TYR A 24 13.658 35.077 26.571 1.00 20.00 C ATOM 334 CD1 TYR A 24 14.888 34.406 26.700 1.00 20.00 C ATOM 335 CD2 TYR A 24 12.465 34.424 26.936 1.00 20.00 C ATOM 336 CE1 TYR A 24 14.932 33.082 27.171 1.00 20.00 C ATOM 337 CE2 TYR A 24 12.498 33.105 27.423 1.00 20.00 C ATOM 338 CZ TYR A 24 13.733 32.426 27.536 1.00 20.00 C ATOM 339 OH TYR A 24 13.766 31.143 27.995 1.00 20.00 O ATOM 0 H TYR A 24 14.107 35.466 23.913 1.00 20.00 H new ATOM 0 HA TYR A 24 11.711 36.517 25.050 1.00 20.00 H new ATOM 0 HB2 TYR A 24 14.649 36.814 25.832 1.00 20.00 H new ATOM 0 HB3 TYR A 24 13.280 37.154 26.872 1.00 20.00 H new ATOM 0 HD1 TYR A 24 15.805 34.912 26.435 1.00 20.00 H new ATOM 0 HD2 TYR A 24 11.520 34.939 26.842 1.00 20.00 H new ATOM 0 HE1 TYR A 24 15.878 32.568 27.254 1.00 20.00 H new ATOM 0 HE2 TYR A 24 11.581 32.612 27.710 1.00 20.00 H new ATOM 0 HH TYR A 24 12.855 30.846 28.201 1.00 20.00 H new ATOM 349 N GLY A 25 12.287 39.101 25.351 1.00 20.00 N ATOM 350 CA GLY A 25 12.218 40.552 25.202 1.00 20.00 C ATOM 351 C GLY A 25 12.796 41.298 26.409 1.00 20.00 C ATOM 352 O GLY A 25 13.220 40.696 27.398 1.00 20.00 O ATOM 0 H GLY A 25 11.917 38.782 26.246 1.00 20.00 H new ATOM 0 HA2 GLY A 25 12.760 40.847 24.304 1.00 20.00 H new ATOM 0 HA3 GLY A 25 11.179 40.850 25.059 1.00 20.00 H new ATOM 356 N GLY A 26 12.805 42.632 26.302 1.00 20.00 N ATOM 357 CA GLY A 26 13.334 43.569 27.291 1.00 20.00 C ATOM 358 C GLY A 26 14.587 44.316 26.813 1.00 20.00 C ATOM 359 O GLY A 26 14.994 45.279 27.463 1.00 20.00 O ATOM 0 H GLY A 26 12.425 43.107 25.483 1.00 20.00 H new ATOM 0 HA2 GLY A 26 12.561 44.295 27.543 1.00 20.00 H new ATOM 0 HA3 GLY A 26 13.571 43.025 28.206 1.00 20.00 H new ATOM 363 N CYS A 27 15.187 43.894 25.690 1.00 20.00 N ATOM 364 CA CYS A 27 16.366 44.504 25.080 1.00 20.00 C ATOM 365 C CYS A 27 16.035 45.830 24.368 1.00 20.00 C ATOM 366 O CYS A 27 14.875 46.257 24.303 1.00 20.00 O ATOM 367 CB CYS A 27 16.969 43.506 24.080 1.00 20.00 C ATOM 368 SG CYS A 27 17.585 41.966 24.826 1.00 20.00 S ATOM 0 H CYS A 27 14.847 43.088 25.166 1.00 20.00 H new ATOM 0 HA CYS A 27 17.080 44.739 25.869 1.00 20.00 H new ATOM 0 HB2 CYS A 27 16.213 43.257 23.335 1.00 20.00 H new ATOM 0 HB3 CYS A 27 17.789 43.992 23.552 1.00 20.00 H new ATOM 373 N SER A 28 17.085 46.463 23.813 1.00 20.00 N ATOM 374 CA SER A 28 17.005 47.687 23.011 1.00 20.00 C ATOM 375 C SER A 28 17.446 47.461 21.554 1.00 20.00 C ATOM 376 O SER A 28 17.330 48.369 20.730 1.00 20.00 O ATOM 377 CB SER A 28 17.860 48.787 23.652 1.00 20.00 C ATOM 378 OG SER A 28 17.382 49.126 24.936 1.00 20.00 O ATOM 0 H SER A 28 18.041 46.122 23.917 1.00 20.00 H new ATOM 0 HA SER A 28 15.960 47.995 22.990 1.00 20.00 H new ATOM 0 HB2 SER A 28 18.894 48.451 23.724 1.00 20.00 H new ATOM 0 HB3 SER A 28 17.856 49.671 23.015 1.00 20.00 H new ATOM 0 HG SER A 28 17.947 49.828 25.321 1.00 20.00 H new ATOM 384 N THR A 29 17.934 46.257 21.228 1.00 20.00 N ATOM 385 CA THR A 29 18.422 45.840 19.918 1.00 20.00 C ATOM 386 C THR A 29 17.936 44.415 19.629 1.00 20.00 C ATOM 387 O THR A 29 17.030 44.232 18.816 1.00 20.00 O ATOM 388 CB THR A 29 19.965 45.960 19.830 1.00 20.00 C ATOM 389 OG1 THR A 29 20.606 45.390 20.959 1.00 20.00 O ATOM 390 CG2 THR A 29 20.434 47.414 19.707 1.00 20.00 C ATOM 0 H THR A 29 18.000 45.507 21.917 1.00 20.00 H new ATOM 0 HA THR A 29 18.019 46.504 19.153 1.00 20.00 H new ATOM 0 HB THR A 29 20.242 45.413 18.929 1.00 20.00 H new ATOM 0 HG1 THR A 29 21.558 45.622 20.946 1.00 20.00 H new ATOM 0 HG21 THR A 29 21.522 47.442 19.649 1.00 20.00 H new ATOM 0 HG22 THR A 29 20.011 47.858 18.806 1.00 20.00 H new ATOM 0 HG23 THR A 29 20.103 47.978 20.579 1.00 20.00 H new ATOM 398 N VAL A 30 18.547 43.419 20.283 1.00 20.00 N ATOM 399 CA VAL A 30 18.248 41.991 20.175 1.00 20.00 C ATOM 400 C VAL A 30 18.833 41.280 21.411 1.00 20.00 C ATOM 401 O VAL A 30 19.749 41.806 22.043 1.00 20.00 O ATOM 402 CB VAL A 30 18.821 41.453 18.838 1.00 20.00 C ATOM 403 CG1 VAL A 30 20.356 41.432 18.774 1.00 20.00 C ATOM 404 CG2 VAL A 30 18.282 40.067 18.470 1.00 20.00 C ATOM 0 H VAL A 30 19.307 43.602 20.939 1.00 20.00 H new ATOM 0 HA VAL A 30 17.175 41.802 20.160 1.00 20.00 H new ATOM 0 HB VAL A 30 18.469 42.177 18.103 1.00 20.00 H new ATOM 0 HG11 VAL A 30 20.675 41.043 17.807 1.00 20.00 H new ATOM 0 HG12 VAL A 30 20.739 42.444 18.902 1.00 20.00 H new ATOM 0 HG13 VAL A 30 20.745 40.794 19.568 1.00 20.00 H new ATOM 0 HG21 VAL A 30 18.720 39.745 17.525 1.00 20.00 H new ATOM 0 HG22 VAL A 30 18.544 39.355 19.253 1.00 20.00 H new ATOM 0 HG23 VAL A 30 17.198 40.113 18.370 1.00 20.00 H new ATOM 414 N CYS A 31 18.331 40.083 21.751 1.00 20.00 N ATOM 415 CA CYS A 31 18.913 39.218 22.777 1.00 20.00 C ATOM 416 C CYS A 31 20.189 38.531 22.271 1.00 20.00 C ATOM 417 O CYS A 31 20.414 38.416 21.066 1.00 20.00 O ATOM 418 CB CYS A 31 17.905 38.135 23.179 1.00 20.00 C ATOM 419 SG CYS A 31 16.591 38.645 24.313 1.00 20.00 S ATOM 0 H CYS A 31 17.499 39.688 21.313 1.00 20.00 H new ATOM 0 HA CYS A 31 19.163 39.845 23.633 1.00 20.00 H new ATOM 0 HB2 CYS A 31 17.442 37.745 22.273 1.00 20.00 H new ATOM 0 HB3 CYS A 31 18.452 37.311 23.638 1.00 20.00 H new ATOM 424 N CYS A 32 20.985 38.008 23.212 1.00 20.00 N ATOM 425 CA CYS A 32 22.126 37.149 22.933 1.00 20.00 C ATOM 426 C CYS A 32 22.373 36.202 24.113 1.00 20.00 C ATOM 427 O CYS A 32 22.643 36.661 25.224 1.00 20.00 O ATOM 428 CB CYS A 32 23.358 38.015 22.639 1.00 20.00 C ATOM 429 SG CYS A 32 24.456 37.283 21.404 1.00 20.00 S ATOM 0 H CYS A 32 20.845 38.178 24.208 1.00 20.00 H new ATOM 0 HA CYS A 32 21.921 36.537 22.055 1.00 20.00 H new ATOM 0 HB2 CYS A 32 23.032 38.995 22.292 1.00 20.00 H new ATOM 0 HB3 CYS A 32 23.914 38.173 23.563 1.00 20.00 H new ATOM 434 N ASP A 33 22.276 34.886 23.868 1.00 20.00 N ATOM 435 CA ASP A 33 22.566 33.833 24.839 1.00 20.00 C ATOM 436 C ASP A 33 24.071 33.798 25.123 1.00 20.00 C ATOM 437 O ASP A 33 24.850 33.259 24.336 1.00 20.00 O ATOM 438 CB ASP A 33 22.048 32.466 24.346 1.00 20.00 C ATOM 439 CG ASP A 33 21.937 31.442 25.480 1.00 20.00 C ATOM 440 OD1 ASP A 33 22.833 31.426 26.351 1.00 20.00 O ATOM 441 OD2 ASP A 33 20.969 30.652 25.446 1.00 20.00 O ATOM 0 H ASP A 33 21.985 34.520 22.961 1.00 20.00 H new ATOM 0 HA ASP A 33 22.043 34.053 25.770 1.00 20.00 H new ATOM 0 HB2 ASP A 33 21.071 32.597 23.881 1.00 20.00 H new ATOM 0 HB3 ASP A 33 22.718 32.082 23.577 1.00 20.00 H new ATOM 446 N LEU A 34 24.467 34.393 26.254 1.00 20.00 N ATOM 447 CA LEU A 34 25.858 34.504 26.682 1.00 20.00 C ATOM 448 C LEU A 34 26.464 33.140 27.054 1.00 20.00 C ATOM 449 O LEU A 34 27.678 32.967 26.940 1.00 20.00 O ATOM 450 CB LEU A 34 25.954 35.475 27.872 1.00 20.00 C ATOM 451 CG LEU A 34 25.308 36.862 27.657 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.465 37.698 28.936 1.00 20.00 C ATOM 453 CD2 LEU A 34 25.912 37.617 26.463 1.00 20.00 C ATOM 0 H LEU A 34 23.811 34.819 26.909 1.00 20.00 H new ATOM 0 HA LEU A 34 26.436 34.890 25.842 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.486 35.007 28.738 1.00 20.00 H new ATOM 0 HB3 LEU A 34 27.006 35.618 28.117 1.00 20.00 H new ATOM 0 HG LEU A 34 24.253 36.703 27.432 1.00 20.00 H new ATOM 0 HD11 LEU A 34 25.010 38.678 28.788 1.00 20.00 H new ATOM 0 HD12 LEU A 34 24.972 37.190 29.765 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.524 37.820 29.163 1.00 20.00 H new ATOM 0 HD21 LEU A 34 25.421 38.585 26.358 1.00 20.00 H new ATOM 0 HD22 LEU A 34 26.979 37.767 26.629 1.00 20.00 H new ATOM 0 HD23 LEU A 34 25.765 37.035 25.553 1.00 20.00 H new ATOM 465 N SER A 35 25.625 32.166 27.445 1.00 20.00 N ATOM 466 CA SER A 35 26.015 30.790 27.746 1.00 20.00 C ATOM 467 C SER A 35 26.315 29.971 26.476 1.00 20.00 C ATOM 468 O SER A 35 26.780 28.838 26.590 1.00 20.00 O ATOM 469 CB SER A 35 24.909 30.129 28.584 1.00 20.00 C ATOM 470 OG SER A 35 25.380 28.944 29.197 1.00 20.00 O ATOM 0 H SER A 35 24.625 32.327 27.562 1.00 20.00 H new ATOM 0 HA SER A 35 26.944 30.814 28.315 1.00 20.00 H new ATOM 0 HB2 SER A 35 24.561 30.825 29.348 1.00 20.00 H new ATOM 0 HB3 SER A 35 24.054 29.899 27.948 1.00 20.00 H new ATOM 0 HG SER A 35 26.099 28.558 28.654 1.00 20.00 H new ATOM 476 N LYS A 36 26.082 30.538 25.280 1.00 20.00 N ATOM 477 CA LYS A 36 26.412 29.958 23.973 1.00 20.00 C ATOM 478 C LYS A 36 27.357 30.860 23.166 1.00 20.00 C ATOM 479 O LYS A 36 27.585 30.608 21.982 1.00 20.00 O ATOM 480 CB LYS A 36 25.133 29.646 23.170 1.00 20.00 C ATOM 481 CG LYS A 36 24.072 28.886 23.973 1.00 20.00 C ATOM 482 CD LYS A 36 23.004 28.282 23.060 1.00 20.00 C ATOM 483 CE LYS A 36 21.932 27.604 23.922 1.00 20.00 C ATOM 484 NZ LYS A 36 20.896 26.967 23.084 1.00 20.00 N ATOM 0 H LYS A 36 25.639 31.453 25.198 1.00 20.00 H new ATOM 0 HA LYS A 36 26.938 29.022 24.160 1.00 20.00 H new ATOM 0 HB2 LYS A 36 24.703 30.581 22.810 1.00 20.00 H new ATOM 0 HB3 LYS A 36 25.400 29.059 22.291 1.00 20.00 H new ATOM 0 HG2 LYS A 36 24.549 28.094 24.550 1.00 20.00 H new ATOM 0 HG3 LYS A 36 23.602 29.562 24.687 1.00 20.00 H new ATOM 0 HD2 LYS A 36 22.554 29.059 22.443 1.00 20.00 H new ATOM 0 HD3 LYS A 36 23.455 27.557 22.382 1.00 20.00 H new ATOM 0 HE2 LYS A 36 22.397 26.854 24.562 1.00 20.00 H new ATOM 0 HE3 LYS A 36 21.470 28.341 24.578 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 20.184 26.517 23.694 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 20.437 27.688 22.491 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 21.336 26.247 22.476 1.00 20.00 H new ATOM 577 N LYS A 43 30.730 25.380 31.771 1.00 20.00 N ATOM 578 CA LYS A 43 31.003 24.599 32.974 1.00 20.00 C ATOM 579 C LYS A 43 32.184 25.234 33.715 1.00 20.00 C ATOM 580 O LYS A 43 32.007 25.751 34.817 1.00 20.00 O ATOM 581 CB LYS A 43 31.294 23.140 32.582 1.00 20.00 C ATOM 582 CG LYS A 43 30.027 22.308 32.293 1.00 20.00 C ATOM 583 CD LYS A 43 29.439 21.627 33.540 1.00 20.00 C ATOM 584 CE LYS A 43 30.345 20.486 34.037 1.00 20.00 C ATOM 585 NZ LYS A 43 29.755 19.772 35.183 1.00 20.00 N ATOM 0 HA LYS A 43 30.139 24.598 33.639 1.00 20.00 H new ATOM 0 HB2 LYS A 43 31.932 23.131 31.698 1.00 20.00 H new ATOM 0 HB3 LYS A 43 31.855 22.663 33.385 1.00 20.00 H new ATOM 0 HG2 LYS A 43 29.270 22.956 31.852 1.00 20.00 H new ATOM 0 HG3 LYS A 43 30.265 21.546 31.551 1.00 20.00 H new ATOM 0 HD2 LYS A 43 29.312 22.364 34.333 1.00 20.00 H new ATOM 0 HD3 LYS A 43 28.449 21.233 33.309 1.00 20.00 H new ATOM 0 HE2 LYS A 43 30.521 19.782 33.223 1.00 20.00 H new ATOM 0 HE3 LYS A 43 31.315 20.892 34.323 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 30.397 19.012 35.486 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 29.610 20.437 35.969 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 28.841 19.362 34.903 1.00 20.00 H new ATOM 599 N GLY A 44 33.374 25.203 33.100 1.00 20.00 N ATOM 600 CA GLY A 44 34.593 25.812 33.615 1.00 20.00 C ATOM 601 C GLY A 44 35.649 25.978 32.520 1.00 20.00 C ATOM 602 O GLY A 44 36.199 27.069 32.370 1.00 20.00 O ATOM 0 H GLY A 44 33.512 24.737 32.203 1.00 20.00 H new ATOM 0 HA2 GLY A 44 34.359 26.786 34.046 1.00 20.00 H new ATOM 0 HA3 GLY A 44 34.996 25.196 34.419 1.00 20.00 H new ATOM 606 N GLY A 45 35.914 24.912 31.749 1.00 20.00 N ATOM 607 CA GLY A 45 36.874 24.906 30.651 1.00 20.00 C ATOM 608 C GLY A 45 38.286 24.619 31.152 1.00 20.00 C ATOM 609 O GLY A 45 38.940 25.506 31.696 1.00 20.00 O ATOM 0 H GLY A 45 35.452 24.012 31.881 1.00 20.00 H new ATOM 0 HA2 GLY A 45 36.586 24.153 29.917 1.00 20.00 H new ATOM 0 HA3 GLY A 45 36.855 25.870 30.143 1.00 20.00 H new ATOM 613 N GLU A 46 38.747 23.373 30.985 1.00 20.00 N ATOM 614 CA GLU A 46 40.048 22.915 31.466 1.00 20.00 C ATOM 615 C GLU A 46 41.199 23.563 30.679 1.00 20.00 C ATOM 616 O GLU A 46 41.062 23.849 29.487 1.00 20.00 O ATOM 617 CB GLU A 46 40.091 21.380 31.359 1.00 20.00 C ATOM 618 CG GLU A 46 41.062 20.734 32.360 1.00 20.00 C ATOM 619 CD GLU A 46 40.579 20.916 33.802 1.00 20.00 C ATOM 620 OE1 GLU A 46 39.578 20.260 34.166 1.00 20.00 O ATOM 621 OE2 GLU A 46 41.198 21.726 34.527 1.00 20.00 O ATOM 0 H GLU A 46 38.216 22.647 30.504 1.00 20.00 H new ATOM 0 HA GLU A 46 40.178 23.214 32.506 1.00 20.00 H new ATOM 0 HB2 GLU A 46 39.090 20.982 31.524 1.00 20.00 H new ATOM 0 HB3 GLU A 46 40.382 21.100 30.347 1.00 20.00 H new ATOM 0 HG2 GLU A 46 41.161 19.671 32.139 1.00 20.00 H new ATOM 0 HG3 GLU A 46 42.052 21.177 32.247 1.00 20.00 H new ATOM 628 N CYS A 47 42.354 23.738 31.349 1.00 20.00 N ATOM 629 CA CYS A 47 43.595 24.296 30.793 1.00 20.00 C ATOM 630 C CYS A 47 44.702 23.222 30.673 1.00 20.00 C ATOM 631 O CYS A 47 45.897 23.524 30.675 1.00 20.00 O ATOM 632 CB CYS A 47 43.965 25.570 31.547 1.00 20.00 C ATOM 633 SG CYS A 47 45.253 26.603 30.775 1.00 20.00 S ATOM 0 H CYS A 47 42.449 23.483 32.332 1.00 20.00 H new ATOM 0 HA CYS A 47 43.447 24.607 29.759 1.00 20.00 H new ATOM 0 HB2 CYS A 47 43.065 26.173 31.666 1.00 20.00 H new ATOM 0 HB3 CYS A 47 44.299 25.294 32.547 1.00 20.00 H new ATOM 638 N ASN A 48 44.268 21.966 30.492 1.00 20.00 N ATOM 639 CA ASN A 48 45.008 20.835 29.948 1.00 20.00 C ATOM 640 C ASN A 48 45.818 21.173 28.671 1.00 20.00 C ATOM 641 O ASN A 48 45.396 22.037 27.901 1.00 20.00 O ATOM 642 CB ASN A 48 43.985 19.685 29.687 1.00 20.00 C ATOM 643 CG ASN A 48 42.731 20.015 28.844 1.00 20.00 C ATOM 644 OD1 ASN A 48 41.886 19.149 28.673 1.00 20.00 O ATOM 645 ND2 ASN A 48 42.574 21.218 28.283 1.00 20.00 N ATOM 0 H ASN A 48 43.316 21.702 30.744 1.00 20.00 H new ATOM 0 HA ASN A 48 45.761 20.532 30.675 1.00 20.00 H new ATOM 0 HB2 ASN A 48 44.515 18.870 29.194 1.00 20.00 H new ATOM 0 HB3 ASN A 48 43.650 19.309 30.654 1.00 20.00 H new ATOM 0 HD21 ASN A 48 41.750 21.412 27.714 1.00 20.00 H new ATOM 0 HD22 ASN A 48 43.278 21.942 28.424 1.00 20.00 H new ATOM 652 N PRO A 49 46.962 20.496 28.420 1.00 20.00 N ATOM 653 CA PRO A 49 47.902 20.838 27.347 1.00 20.00 C ATOM 654 C PRO A 49 47.392 20.434 25.957 1.00 20.00 C ATOM 655 O PRO A 49 46.563 19.536 25.835 1.00 20.00 O ATOM 656 CB PRO A 49 49.197 20.083 27.689 1.00 20.00 C ATOM 657 CG PRO A 49 48.686 18.848 28.425 1.00 20.00 C ATOM 658 CD PRO A 49 47.507 19.399 29.213 1.00 20.00 C ATOM 0 HA PRO A 49 48.045 21.917 27.294 1.00 20.00 H new ATOM 0 HB2 PRO A 49 49.758 19.816 26.793 1.00 20.00 H new ATOM 0 HB3 PRO A 49 49.860 20.681 28.314 1.00 20.00 H new ATOM 0 HG2 PRO A 49 48.381 18.062 27.735 1.00 20.00 H new ATOM 0 HG3 PRO A 49 49.447 18.421 29.078 1.00 20.00 H new ATOM 0 HD2 PRO A 49 46.755 18.627 29.378 1.00 20.00 H new ATOM 0 HD3 PRO A 49 47.825 19.749 30.195 1.00 20.00 H new ATOM 666 N LEU A 50 47.941 21.056 24.904 1.00 20.00 N ATOM 667 CA LEU A 50 47.578 20.794 23.506 1.00 20.00 C ATOM 668 C LEU A 50 47.891 19.363 23.043 1.00 20.00 C ATOM 669 O LEU A 50 47.329 18.916 22.042 1.00 20.00 O ATOM 670 CB LEU A 50 48.299 21.790 22.578 1.00 20.00 C ATOM 671 CG LEU A 50 47.866 23.261 22.770 1.00 20.00 C ATOM 672 CD1 LEU A 50 48.737 24.176 21.897 1.00 20.00 C ATOM 673 CD2 LEU A 50 46.389 23.469 22.429 1.00 20.00 C ATOM 0 H LEU A 50 48.664 21.769 25.003 1.00 20.00 H new ATOM 0 HA LEU A 50 46.497 20.919 23.449 1.00 20.00 H new ATOM 0 HB2 LEU A 50 49.373 21.714 22.746 1.00 20.00 H new ATOM 0 HB3 LEU A 50 48.118 21.502 21.543 1.00 20.00 H new ATOM 0 HG LEU A 50 48.001 23.514 23.822 1.00 20.00 H new ATOM 0 HD11 LEU A 50 48.428 25.212 22.035 1.00 20.00 H new ATOM 0 HD12 LEU A 50 49.782 24.067 22.186 1.00 20.00 H new ATOM 0 HD13 LEU A 50 48.619 23.899 20.849 1.00 20.00 H new ATOM 0 HD21 LEU A 50 46.125 24.516 22.577 1.00 20.00 H new ATOM 0 HD22 LEU A 50 46.214 23.194 21.389 1.00 20.00 H new ATOM 0 HD23 LEU A 50 45.774 22.845 23.078 1.00 20.00 H new ATOM 685 N ASP A 51 48.771 18.650 23.763 1.00 20.00 N ATOM 686 CA ASP A 51 49.157 17.271 23.485 1.00 20.00 C ATOM 687 C ASP A 51 48.016 16.272 23.749 1.00 20.00 C ATOM 688 O ASP A 51 47.958 15.229 23.091 1.00 20.00 O ATOM 689 CB ASP A 51 50.375 16.939 24.359 1.00 20.00 C ATOM 690 CG ASP A 51 50.866 15.505 24.163 1.00 20.00 C ATOM 691 OD1 ASP A 51 51.366 15.211 23.054 1.00 20.00 O ATOM 692 OD2 ASP A 51 50.727 14.715 25.123 1.00 20.00 O ATOM 0 H ASP A 51 49.245 19.036 24.580 1.00 20.00 H new ATOM 0 HA ASP A 51 49.399 17.180 22.426 1.00 20.00 H new ATOM 0 HB2 ASP A 51 51.184 17.631 24.126 1.00 20.00 H new ATOM 0 HB3 ASP A 51 50.118 17.091 25.407 1.00 20.00 H new ATOM 697 N ARG A 52 47.121 16.586 24.704 1.00 20.00 N ATOM 698 CA ARG A 52 46.043 15.694 25.126 1.00 20.00 C ATOM 699 C ARG A 52 44.945 15.623 24.051 1.00 20.00 C ATOM 700 O ARG A 52 44.589 16.637 23.446 1.00 20.00 O ATOM 701 CB ARG A 52 45.480 16.182 26.474 1.00 20.00 C ATOM 702 CG ARG A 52 45.139 15.035 27.434 1.00 20.00 C ATOM 703 CD ARG A 52 46.413 14.432 28.039 1.00 20.00 C ATOM 704 NE ARG A 52 46.101 13.341 28.973 1.00 20.00 N ATOM 705 CZ ARG A 52 46.916 12.880 29.933 1.00 20.00 C ATOM 706 NH1 ARG A 52 48.117 13.420 30.154 1.00 20.00 N ATOM 707 NH2 ARG A 52 46.516 11.859 30.687 1.00 20.00 N ATOM 0 H ARG A 52 47.132 17.475 25.204 1.00 20.00 H new ATOM 0 HA ARG A 52 46.434 14.685 25.255 1.00 20.00 H new ATOM 0 HB2 ARG A 52 46.208 16.840 26.948 1.00 20.00 H new ATOM 0 HB3 ARG A 52 44.584 16.775 26.293 1.00 20.00 H new ATOM 0 HG2 ARG A 52 44.492 15.402 28.230 1.00 20.00 H new ATOM 0 HG3 ARG A 52 44.583 14.263 26.902 1.00 20.00 H new ATOM 0 HD2 ARG A 52 47.054 14.057 27.241 1.00 20.00 H new ATOM 0 HD3 ARG A 52 46.973 15.209 28.559 1.00 20.00 H new ATOM 0 HE ARG A 52 45.187 12.897 28.883 1.00 20.00 H new ATOM 0 HH11 ARG A 52 48.436 14.204 29.585 1.00 20.00 H new ATOM 0 HH12 ARG A 52 48.715 13.048 30.892 1.00 20.00 H new ATOM 0 HH21 ARG A 52 45.600 11.438 30.531 1.00 20.00 H new ATOM 0 HH22 ARG A 52 47.125 11.498 31.421 1.00 20.00 H new ATOM 721 N GLN A 53 44.423 14.411 23.816 1.00 20.00 N ATOM 722 CA GLN A 53 43.423 14.108 22.794 1.00 20.00 C ATOM 723 C GLN A 53 42.050 14.675 23.172 1.00 20.00 C ATOM 724 O GLN A 53 41.348 14.135 24.026 1.00 20.00 O ATOM 725 CB GLN A 53 43.322 12.588 22.569 1.00 20.00 C ATOM 726 CG GLN A 53 44.552 12.019 21.839 1.00 20.00 C ATOM 727 CD GLN A 53 44.489 10.497 21.697 1.00 20.00 C ATOM 728 OE1 GLN A 53 45.364 9.795 22.194 1.00 20.00 O ATOM 729 NE2 GLN A 53 43.465 9.975 21.025 1.00 20.00 N ATOM 0 H GLN A 53 44.698 13.589 24.354 1.00 20.00 H new ATOM 0 HA GLN A 53 43.744 14.583 21.867 1.00 20.00 H new ATOM 0 HB2 GLN A 53 43.210 12.088 23.531 1.00 20.00 H new ATOM 0 HB3 GLN A 53 42.425 12.368 21.990 1.00 20.00 H new ATOM 0 HG2 GLN A 53 44.627 12.471 20.850 1.00 20.00 H new ATOM 0 HG3 GLN A 53 45.455 12.294 22.384 1.00 20.00 H new ATOM 0 HE21 GLN A 53 42.754 10.586 20.624 1.00 20.00 H new ATOM 0 HE22 GLN A 53 43.392 8.964 20.911 1.00 20.00 H new ATOM 738 N CYS A 54 41.674 15.777 22.515 1.00 20.00 N ATOM 739 CA CYS A 54 40.362 16.422 22.595 1.00 20.00 C ATOM 740 C CYS A 54 40.177 17.393 21.413 1.00 20.00 C ATOM 741 O CYS A 54 41.091 17.578 20.607 1.00 20.00 O ATOM 742 CB CYS A 54 40.241 17.161 23.933 1.00 20.00 C ATOM 743 SG CYS A 54 38.600 17.189 24.694 1.00 20.00 S ATOM 0 H CYS A 54 42.308 16.266 21.883 1.00 20.00 H new ATOM 0 HA CYS A 54 39.578 15.667 22.538 1.00 20.00 H new ATOM 0 HB2 CYS A 54 40.936 16.706 24.638 1.00 20.00 H new ATOM 0 HB3 CYS A 54 40.566 18.191 23.785 1.00 20.00 H new ATOM 748 N LYS A 55 39.002 18.034 21.322 1.00 20.00 N ATOM 749 CA LYS A 55 38.684 19.054 20.317 1.00 20.00 C ATOM 750 C LYS A 55 39.495 20.339 20.566 1.00 20.00 C ATOM 751 O LYS A 55 40.028 20.549 21.655 1.00 20.00 O ATOM 752 CB LYS A 55 37.166 19.313 20.341 1.00 20.00 C ATOM 753 CG LYS A 55 36.627 19.889 19.025 1.00 20.00 C ATOM 754 CD LYS A 55 35.112 20.128 19.116 1.00 20.00 C ATOM 755 CE LYS A 55 34.526 20.573 17.771 1.00 20.00 C ATOM 756 NZ LYS A 55 34.501 19.474 16.787 1.00 20.00 N ATOM 0 H LYS A 55 38.229 17.851 21.962 1.00 20.00 H new ATOM 0 HA LYS A 55 38.963 18.700 19.324 1.00 20.00 H new ATOM 0 HB2 LYS A 55 36.649 18.379 20.559 1.00 20.00 H new ATOM 0 HB3 LYS A 55 36.935 20.003 21.153 1.00 20.00 H new ATOM 0 HG2 LYS A 55 37.135 20.826 18.798 1.00 20.00 H new ATOM 0 HG3 LYS A 55 36.843 19.203 18.206 1.00 20.00 H new ATOM 0 HD2 LYS A 55 34.618 19.213 19.443 1.00 20.00 H new ATOM 0 HD3 LYS A 55 34.908 20.887 19.871 1.00 20.00 H new ATOM 0 HE2 LYS A 55 33.513 20.946 17.923 1.00 20.00 H new ATOM 0 HE3 LYS A 55 35.115 21.400 17.375 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 33.991 19.783 15.935 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 35.475 19.214 16.533 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 34.019 18.650 17.199 1.00 20.00 H new ATOM 770 N GLU A 56 39.585 21.206 19.548 1.00 20.00 N ATOM 771 CA GLU A 56 40.290 22.485 19.602 1.00 20.00 C ATOM 772 C GLU A 56 39.598 23.503 18.690 1.00 20.00 C ATOM 773 O GLU A 56 39.241 23.201 17.549 1.00 20.00 O ATOM 774 CB GLU A 56 41.761 22.255 19.217 1.00 20.00 C ATOM 775 CG GLU A 56 42.677 23.470 19.449 1.00 20.00 C ATOM 776 CD GLU A 56 42.741 24.407 18.244 1.00 20.00 C ATOM 777 OE1 GLU A 56 43.254 23.963 17.194 1.00 20.00 O ATOM 778 OE2 GLU A 56 42.313 25.571 18.384 1.00 20.00 O ATOM 0 H GLU A 56 39.155 21.028 18.640 1.00 20.00 H new ATOM 0 HA GLU A 56 40.264 22.897 20.611 1.00 20.00 H new ATOM 0 HB2 GLU A 56 42.146 21.411 19.789 1.00 20.00 H new ATOM 0 HB3 GLU A 56 41.809 21.975 18.165 1.00 20.00 H new ATOM 0 HG2 GLU A 56 42.321 24.026 20.316 1.00 20.00 H new ATOM 0 HG3 GLU A 56 43.682 23.121 19.685 1.00 20.00 H new ATOM 785 N LEU A 57 39.420 24.717 19.226 1.00 20.00 N ATOM 786 CA LEU A 57 38.752 25.858 18.599 1.00 20.00 C ATOM 787 C LEU A 57 39.440 27.144 19.060 1.00 20.00 C ATOM 788 O LEU A 57 39.314 27.503 20.227 1.00 20.00 O ATOM 789 CB LEU A 57 37.267 25.931 19.020 1.00 20.00 C ATOM 790 CG LEU A 57 36.362 24.811 18.455 1.00 20.00 C ATOM 791 CD1 LEU A 57 34.984 24.930 19.109 1.00 20.00 C ATOM 792 CD2 LEU A 57 36.211 24.927 16.928 1.00 20.00 C ATOM 0 H LEU A 57 39.759 24.939 20.162 1.00 20.00 H new ATOM 0 HA LEU A 57 38.811 25.741 17.517 1.00 20.00 H new ATOM 0 HB2 LEU A 57 37.214 25.904 20.108 1.00 20.00 H new ATOM 0 HB3 LEU A 57 36.864 26.894 18.705 1.00 20.00 H new ATOM 0 HG LEU A 57 36.817 23.845 18.675 1.00 20.00 H new ATOM 0 HD11 LEU A 57 34.330 24.148 18.724 1.00 20.00 H new ATOM 0 HD12 LEU A 57 35.083 24.821 20.189 1.00 20.00 H new ATOM 0 HD13 LEU A 57 34.556 25.906 18.881 1.00 20.00 H new ATOM 0 HD21 LEU A 57 35.569 24.125 16.564 1.00 20.00 H new ATOM 0 HD22 LEU A 57 35.765 25.890 16.679 1.00 20.00 H new ATOM 0 HD23 LEU A 57 37.192 24.849 16.458 1.00 20.00 H new ATOM 804 N GLN A 58 40.154 27.849 18.172 1.00 20.00 N ATOM 805 CA GLN A 58 40.915 29.055 18.519 1.00 20.00 C ATOM 806 C GLN A 58 40.026 30.206 19.025 1.00 20.00 C ATOM 807 O GLN A 58 40.515 31.097 19.718 1.00 20.00 O ATOM 808 CB GLN A 58 41.750 29.553 17.330 1.00 20.00 C ATOM 809 CG GLN A 58 42.775 28.505 16.808 1.00 20.00 C ATOM 810 CD GLN A 58 43.673 29.094 15.718 1.00 20.00 C ATOM 811 OE1 GLN A 58 43.190 29.372 14.623 1.00 20.00 O ATOM 812 NE2 GLN A 58 44.957 29.316 16.021 1.00 20.00 N ATOM 0 H GLN A 58 40.220 27.596 17.186 1.00 20.00 H new ATOM 0 HA GLN A 58 41.575 28.756 19.334 1.00 20.00 H new ATOM 0 HB2 GLN A 58 41.080 29.830 16.516 1.00 20.00 H new ATOM 0 HB3 GLN A 58 42.284 30.456 17.625 1.00 20.00 H new ATOM 0 HG2 GLN A 58 43.390 28.152 17.636 1.00 20.00 H new ATOM 0 HG3 GLN A 58 42.243 27.639 16.414 1.00 20.00 H new ATOM 0 HE21 GLN A 58 45.313 29.068 16.944 1.00 20.00 H new ATOM 0 HE22 GLN A 58 45.580 29.733 15.329 1.00 20.00 H new ATOM 821 N ALA A 59 38.729 30.187 18.692 1.00 20.00 N ATOM 822 CA ALA A 59 37.756 31.168 19.130 1.00 20.00 C ATOM 823 C ALA A 59 37.447 31.049 20.632 1.00 20.00 C ATOM 824 O ALA A 59 37.239 32.067 21.292 1.00 20.00 O ATOM 825 CB ALA A 59 36.473 30.982 18.311 1.00 20.00 C ATOM 0 H ALA A 59 38.327 29.465 18.094 1.00 20.00 H new ATOM 0 HA ALA A 59 38.172 32.163 18.971 1.00 20.00 H new ATOM 0 HB1 ALA A 59 35.730 31.713 18.628 1.00 20.00 H new ATOM 0 HB2 ALA A 59 36.693 31.124 17.253 1.00 20.00 H new ATOM 0 HB3 ALA A 59 36.083 29.976 18.469 1.00 20.00 H new ATOM 831 N GLU A 60 37.429 29.820 21.169 1.00 20.00 N ATOM 832 CA GLU A 60 36.955 29.502 22.519 1.00 20.00 C ATOM 833 C GLU A 60 38.110 29.141 23.460 1.00 20.00 C ATOM 834 O GLU A 60 38.033 29.415 24.656 1.00 20.00 O ATOM 835 CB GLU A 60 35.945 28.340 22.452 1.00 20.00 C ATOM 836 CG GLU A 60 34.786 28.632 21.480 1.00 20.00 C ATOM 837 CD GLU A 60 33.640 27.620 21.566 1.00 20.00 C ATOM 838 OE1 GLU A 60 33.886 26.473 21.956 1.00 20.00 O ATOM 839 OE2 GLU A 60 32.500 28.029 21.200 1.00 20.00 O ATOM 0 H GLU A 60 37.754 28.998 20.659 1.00 20.00 H new ATOM 0 HA GLU A 60 36.470 30.391 22.922 1.00 20.00 H new ATOM 0 HB2 GLU A 60 36.459 27.431 22.139 1.00 20.00 H new ATOM 0 HB3 GLU A 60 35.543 28.152 23.448 1.00 20.00 H new ATOM 0 HG2 GLU A 60 34.395 29.629 21.684 1.00 20.00 H new ATOM 0 HG3 GLU A 60 35.173 28.644 20.461 1.00 20.00 H new ATOM 846 N SER A 61 39.182 28.545 22.922 1.00 20.00 N ATOM 847 CA SER A 61 40.369 28.121 23.658 1.00 20.00 C ATOM 848 C SER A 61 41.399 29.240 23.872 1.00 20.00 C ATOM 849 O SER A 61 42.399 29.027 24.558 1.00 20.00 O ATOM 850 CB SER A 61 41.015 26.917 22.969 1.00 20.00 C ATOM 851 OG SER A 61 41.765 27.280 21.828 1.00 20.00 O ATOM 0 H SER A 61 39.244 28.340 21.925 1.00 20.00 H new ATOM 0 HA SER A 61 40.028 27.837 24.654 1.00 20.00 H new ATOM 0 HB2 SER A 61 41.665 26.403 23.678 1.00 20.00 H new ATOM 0 HB3 SER A 61 40.238 26.210 22.678 1.00 20.00 H new ATOM 0 HG SER A 61 41.159 27.429 21.072 1.00 20.00 H new ATOM 857 N ALA A 62 41.164 30.427 23.296 1.00 20.00 N ATOM 858 CA ALA A 62 41.980 31.621 23.501 1.00 20.00 C ATOM 859 C ALA A 62 41.888 32.174 24.935 1.00 20.00 C ATOM 860 O ALA A 62 42.673 33.057 25.283 1.00 20.00 O ATOM 861 CB ALA A 62 41.566 32.681 22.474 1.00 20.00 C ATOM 0 H ALA A 62 40.382 30.582 22.660 1.00 20.00 H new ATOM 0 HA ALA A 62 43.025 31.347 23.359 1.00 20.00 H new ATOM 0 HB1 ALA A 62 42.168 33.579 22.615 1.00 20.00 H new ATOM 0 HB2 ALA A 62 41.723 32.293 21.467 1.00 20.00 H new ATOM 0 HB3 ALA A 62 40.512 32.925 22.608 1.00 20.00 H new ATOM 867 N SER A 63 40.967 31.652 25.763 1.00 20.00 N ATOM 868 CA SER A 63 40.752 32.049 27.150 1.00 20.00 C ATOM 869 C SER A 63 41.994 31.817 28.020 1.00 20.00 C ATOM 870 O SER A 63 42.480 32.776 28.619 1.00 20.00 O ATOM 871 CB SER A 63 39.526 31.313 27.699 1.00 20.00 C ATOM 872 OG SER A 63 39.246 31.736 29.016 1.00 20.00 O ATOM 0 H SER A 63 40.331 30.913 25.465 1.00 20.00 H new ATOM 0 HA SER A 63 40.566 33.123 27.180 1.00 20.00 H new ATOM 0 HB2 SER A 63 38.664 31.502 27.059 1.00 20.00 H new ATOM 0 HB3 SER A 63 39.704 30.238 27.686 1.00 20.00 H new ATOM 0 HG SER A 63 38.459 31.258 29.353 1.00 20.00 H new ATOM 878 N CYS A 64 42.523 30.582 28.078 1.00 20.00 N ATOM 879 CA CYS A 64 43.794 30.313 28.763 1.00 20.00 C ATOM 880 C CYS A 64 45.012 30.704 27.904 1.00 20.00 C ATOM 881 O CYS A 64 46.128 30.744 28.423 1.00 20.00 O ATOM 882 CB CYS A 64 43.915 28.833 29.157 1.00 20.00 C ATOM 883 SG CYS A 64 44.567 28.530 30.825 1.00 20.00 S ATOM 0 H CYS A 64 42.090 29.759 27.660 1.00 20.00 H new ATOM 0 HA CYS A 64 43.790 30.930 29.662 1.00 20.00 H new ATOM 0 HB2 CYS A 64 42.931 28.371 29.079 1.00 20.00 H new ATOM 0 HB3 CYS A 64 44.560 28.333 28.435 1.00 20.00 H new ATOM 888 N GLY A 65 44.811 30.979 26.604 1.00 20.00 N ATOM 889 CA GLY A 65 45.865 31.303 25.651 1.00 20.00 C ATOM 890 C GLY A 65 46.561 30.055 25.096 1.00 20.00 C ATOM 891 O GLY A 65 46.047 28.939 25.208 1.00 20.00 O ATOM 0 H GLY A 65 43.882 30.980 26.184 1.00 20.00 H new ATOM 0 HA2 GLY A 65 45.441 31.875 24.826 1.00 20.00 H new ATOM 0 HA3 GLY A 65 46.604 31.942 26.135 1.00 20.00 H new ATOM 895 N LYS A 66 47.728 30.277 24.473 1.00 20.00 N ATOM 896 CA LYS A 66 48.606 29.258 23.900 1.00 20.00 C ATOM 897 C LYS A 66 48.981 28.185 24.936 1.00 20.00 C ATOM 898 O LYS A 66 49.743 28.436 25.871 1.00 20.00 O ATOM 899 CB LYS A 66 49.837 29.902 23.235 1.00 20.00 C ATOM 900 CG LYS A 66 50.650 30.876 24.117 1.00 20.00 C ATOM 901 CD LYS A 66 52.166 30.668 23.992 1.00 20.00 C ATOM 902 CE LYS A 66 52.603 29.373 24.686 1.00 20.00 C ATOM 903 NZ LYS A 66 54.053 29.146 24.551 1.00 20.00 N ATOM 0 H LYS A 66 48.099 31.219 24.352 1.00 20.00 H new ATOM 0 HA LYS A 66 48.057 28.740 23.114 1.00 20.00 H new ATOM 0 HB2 LYS A 66 50.502 29.106 22.899 1.00 20.00 H new ATOM 0 HB3 LYS A 66 49.506 30.438 22.346 1.00 20.00 H new ATOM 0 HG2 LYS A 66 50.404 31.901 23.840 1.00 20.00 H new ATOM 0 HG3 LYS A 66 50.355 30.748 25.159 1.00 20.00 H new ATOM 0 HD2 LYS A 66 52.446 30.633 22.939 1.00 20.00 H new ATOM 0 HD3 LYS A 66 52.690 31.516 24.433 1.00 20.00 H new ATOM 0 HE2 LYS A 66 52.338 29.419 25.742 1.00 20.00 H new ATOM 0 HE3 LYS A 66 52.061 28.530 24.258 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 54.312 28.261 25.032 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 54.301 29.077 23.543 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 54.570 29.939 24.982 1.00 20.00 H new ATOM 917 N GLY A 67 48.400 26.989 24.764 1.00 20.00 N ATOM 918 CA GLY A 67 48.563 25.838 25.646 1.00 20.00 C ATOM 919 C GLY A 67 47.232 25.149 25.978 1.00 20.00 C ATOM 920 O GLY A 67 47.261 23.994 26.397 1.00 20.00 O ATOM 0 H GLY A 67 47.782 26.796 23.976 1.00 20.00 H new ATOM 0 HA2 GLY A 67 49.232 25.118 25.176 1.00 20.00 H new ATOM 0 HA3 GLY A 67 49.041 26.160 26.571 1.00 20.00 H new ATOM 924 N GLN A 68 46.085 25.816 25.771 1.00 20.00 N ATOM 925 CA GLN A 68 44.756 25.283 26.033 1.00 20.00 C ATOM 926 C GLN A 68 43.997 25.034 24.727 1.00 20.00 C ATOM 927 O GLN A 68 44.151 25.773 23.753 1.00 20.00 O ATOM 928 CB GLN A 68 44.022 26.265 26.953 1.00 20.00 C ATOM 929 CG GLN A 68 42.639 25.810 27.447 1.00 20.00 C ATOM 930 CD GLN A 68 41.459 26.584 26.865 1.00 20.00 C ATOM 931 OE1 GLN A 68 41.359 27.799 27.013 1.00 20.00 O ATOM 932 NE2 GLN A 68 40.506 25.873 26.270 1.00 20.00 N ATOM 0 H GLN A 68 46.066 26.768 25.406 1.00 20.00 H new ATOM 0 HA GLN A 68 44.827 24.315 26.529 1.00 20.00 H new ATOM 0 HB2 GLN A 68 44.651 26.460 27.821 1.00 20.00 H new ATOM 0 HB3 GLN A 68 43.905 27.211 26.425 1.00 20.00 H new ATOM 0 HG2 GLN A 68 42.514 24.754 27.209 1.00 20.00 H new ATOM 0 HG3 GLN A 68 42.611 25.897 28.533 1.00 20.00 H new ATOM 0 HE21 GLN A 68 40.615 24.865 26.160 1.00 20.00 H new ATOM 0 HE22 GLN A 68 39.666 26.336 25.923 1.00 20.00 H new ATOM 941 N LYS A 69 43.138 24.003 24.752 1.00 20.00 N ATOM 942 CA LYS A 69 42.228 23.616 23.681 1.00 20.00 C ATOM 943 C LYS A 69 40.824 23.383 24.254 1.00 20.00 C ATOM 944 O LYS A 69 40.678 23.073 25.439 1.00 20.00 O ATOM 945 CB LYS A 69 42.798 22.454 22.868 1.00 20.00 C ATOM 946 CG LYS A 69 43.371 21.263 23.646 1.00 20.00 C ATOM 947 CD LYS A 69 42.303 20.438 24.397 1.00 20.00 C ATOM 948 CE LYS A 69 42.830 19.091 24.907 1.00 20.00 C ATOM 949 NZ LYS A 69 43.780 19.281 25.994 1.00 20.00 N ATOM 0 H LYS A 69 43.061 23.391 25.564 1.00 20.00 H new ATOM 0 HA LYS A 69 42.125 24.426 22.959 1.00 20.00 H new ATOM 0 HB2 LYS A 69 42.009 22.081 22.214 1.00 20.00 H new ATOM 0 HB3 LYS A 69 43.586 22.847 22.225 1.00 20.00 H new ATOM 0 HG2 LYS A 69 43.901 20.609 22.953 1.00 20.00 H new ATOM 0 HG3 LYS A 69 44.105 21.629 24.364 1.00 20.00 H new ATOM 0 HD2 LYS A 69 41.932 21.019 25.241 1.00 20.00 H new ATOM 0 HD3 LYS A 69 41.456 20.262 23.734 1.00 20.00 H new ATOM 0 HE2 LYS A 69 41.997 18.477 25.250 1.00 20.00 H new ATOM 0 HE3 LYS A 69 43.309 18.551 24.090 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 44.744 19.099 25.649 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 43.717 20.258 26.344 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 43.559 18.622 26.767 1.00 20.00 H new ATOM 963 N CYS A 70 39.787 23.555 23.413 1.00 20.00 N ATOM 964 CA CYS A 70 38.377 23.447 23.798 1.00 20.00 C ATOM 965 C CYS A 70 38.024 22.008 24.182 1.00 20.00 C ATOM 966 O CYS A 70 37.733 21.182 23.322 1.00 20.00 O ATOM 967 CB CYS A 70 37.477 23.995 22.676 1.00 20.00 C ATOM 968 SG CYS A 70 35.692 23.861 23.002 1.00 20.00 S ATOM 0 H CYS A 70 39.915 23.778 22.426 1.00 20.00 H new ATOM 0 HA CYS A 70 38.202 24.057 24.684 1.00 20.00 H new ATOM 0 HB2 CYS A 70 37.725 25.043 22.509 1.00 20.00 H new ATOM 0 HB3 CYS A 70 37.705 23.463 21.753 1.00 20.00 H new ATOM 0 HG CYS A 70 35.086 24.915 22.541 1.00 20.00 H new ATOM 973 N CYS A 71 38.046 21.723 25.487 1.00 20.00 N ATOM 974 CA CYS A 71 37.817 20.407 26.058 1.00 20.00 C ATOM 975 C CYS A 71 37.048 20.539 27.370 1.00 20.00 C ATOM 976 O CYS A 71 37.572 21.067 28.354 1.00 20.00 O ATOM 977 CB CYS A 71 39.153 19.704 26.278 1.00 20.00 C ATOM 978 SG CYS A 71 38.993 17.921 26.558 1.00 20.00 S ATOM 0 H CYS A 71 38.231 22.434 26.195 1.00 20.00 H new ATOM 0 HA CYS A 71 37.220 19.808 25.370 1.00 20.00 H new ATOM 0 HB2 CYS A 71 39.790 19.872 25.410 1.00 20.00 H new ATOM 0 HB3 CYS A 71 39.655 20.155 27.134 1.00 20.00 H new ATOM 983 N VAL A 72 35.791 20.077 27.363 1.00 20.00 N ATOM 984 CA VAL A 72 34.916 20.066 28.535 1.00 20.00 C ATOM 985 C VAL A 72 33.961 18.867 28.475 1.00 20.00 C ATOM 986 O VAL A 72 33.671 18.349 27.396 1.00 20.00 O ATOM 987 CB VAL A 72 34.187 21.430 28.622 1.00 20.00 C ATOM 988 CG1 VAL A 72 32.942 21.519 27.722 1.00 20.00 C ATOM 989 CG2 VAL A 72 33.814 21.765 30.068 1.00 20.00 C ATOM 0 H VAL A 72 35.349 19.695 26.527 1.00 20.00 H new ATOM 0 HA VAL A 72 35.494 19.942 29.451 1.00 20.00 H new ATOM 0 HB VAL A 72 34.898 22.168 28.251 1.00 20.00 H new ATOM 0 HG11 VAL A 72 32.482 22.501 27.834 1.00 20.00 H new ATOM 0 HG12 VAL A 72 33.233 21.371 26.682 1.00 20.00 H new ATOM 0 HG13 VAL A 72 32.228 20.748 28.012 1.00 20.00 H new ATOM 0 HG21 VAL A 72 33.304 22.728 30.098 1.00 20.00 H new ATOM 0 HG22 VAL A 72 33.154 20.992 30.462 1.00 20.00 H new ATOM 0 HG23 VAL A 72 34.718 21.814 30.675 1.00 20.00 H new