USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 622 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 23 CYS SG : rot 178:sc= 0.146 USER MOD Set 1.2: A 26 CYS SG : rot -61:sc= -0.379 USER MOD Set 1.3: A 28 SER OG : rot 97:sc= 0.706 USER MOD Set 1.4: A 54 ASN : amide:sc= -2.46 K(o=-7.5,f=-15!) USER MOD Set 1.5: A 55 HIS : no HE2:sc= -4.42! C(o=-7.5!,f=-11!) USER MOD Set 1.6: A 58 CYS SG : rot -140:sc= -1.08 USER MOD Set 2.1: A 25 THR OG1 : rot 168:sc= -0.577 USER MOD Set 2.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 24 LYS NZ :NH3+ 180:sc=-0.00444 (180deg=0) USER MOD Set 3.2: A 52 MET CE :methyl 154:sc= -0.138 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 173:sc= 0.844 (180deg=0.693) USER MOD Single : A 15 TYR OH : rot 64:sc= 0.101 USER MOD Single : A 17 LYS NZ :NH3+ -152:sc= -0.124 (180deg=-0.711) USER MOD Single : A 18 SER OG : rot 62:sc= 1.3 USER MOD Single : A 19 SER OG : rot 180:sc= -0.0569 USER MOD Single : A 21 SER OG : rot 150:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.408 K(o=0.41,f=-2.2!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.557 K(o=0.56,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0.3 K(o=0.3,f=-0.59) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc=-0.00436 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.831 K(o=-0.83,f=-2.1) USER MOD Single : A 84 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.2) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 177:sc= 0.0801 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.720 11.642 3.545 1.00 0.00 N ATOM 84 CA LYS A 9 9.699 10.532 2.600 1.00 0.00 C ATOM 85 C LYS A 9 8.594 10.719 1.565 1.00 0.00 C ATOM 86 O LYS A 9 7.454 11.050 1.892 1.00 0.00 O ATOM 87 CB LYS A 9 9.499 9.208 3.341 1.00 0.00 C ATOM 88 CG LYS A 9 10.780 8.638 3.924 1.00 0.00 C ATOM 89 CD LYS A 9 10.509 7.824 5.178 1.00 0.00 C ATOM 90 CE LYS A 9 11.795 7.507 5.926 1.00 0.00 C ATOM 91 NZ LYS A 9 11.589 6.459 6.964 1.00 0.00 N ATOM 0 HA LYS A 9 10.658 10.511 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.778 9.357 4.145 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.066 8.479 2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.271 8.010 3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.467 9.451 4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.833 8.375 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.005 6.896 4.909 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.554 7.173 5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.175 8.414 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.507 6.186 7.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.975 6.832 7.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.140 5.626 6.532 1.00 0.00 H new ATOM 105 N PRO A 10 8.936 10.502 0.287 1.00 0.00 N ATOM 106 CA PRO A 10 7.987 10.639 -0.821 1.00 0.00 C ATOM 107 C PRO A 10 6.927 9.542 -0.816 1.00 0.00 C ATOM 108 O PRO A 10 5.795 9.757 -1.248 1.00 0.00 O ATOM 109 CB PRO A 10 8.872 10.521 -2.064 1.00 0.00 C ATOM 110 CG PRO A 10 10.053 9.731 -1.614 1.00 0.00 C ATOM 111 CD PRO A 10 10.277 10.105 -0.175 1.00 0.00 C ATOM 0 HA PRO A 10 7.429 11.574 -0.766 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.347 10.020 -2.878 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.169 11.503 -2.433 1.00 0.00 H new ATOM 0 HG2 PRO A 10 9.869 8.661 -1.715 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.930 9.962 -2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.669 9.267 0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.993 10.921 -0.079 1.00 0.00 H new ATOM 119 N TRP A 11 7.302 8.366 -0.324 1.00 0.00 N ATOM 120 CA TRP A 11 6.383 7.236 -0.263 1.00 0.00 C ATOM 121 C TRP A 11 6.181 6.777 1.177 1.00 0.00 C ATOM 122 O TRP A 11 7.065 6.935 2.019 1.00 0.00 O ATOM 123 CB TRP A 11 6.910 6.077 -1.111 1.00 0.00 C ATOM 124 CG TRP A 11 6.970 6.392 -2.575 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.023 6.935 -3.254 1.00 0.00 C ATOM 126 CD2 TRP A 11 5.932 6.185 -3.539 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.702 7.078 -4.583 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.425 6.624 -4.783 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.635 5.670 -3.473 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.666 6.564 -5.949 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.882 5.611 -4.630 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.399 6.055 -5.855 1.00 0.00 C ATOM 0 H TRP A 11 8.235 8.171 0.038 1.00 0.00 H new ATOM 0 HA TRP A 11 5.421 7.560 -0.661 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.907 5.806 -0.764 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.272 5.206 -0.960 1.00 0.00 H new ATOM 0 HD1 TRP A 11 8.969 7.211 -2.812 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.315 7.460 -5.303 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.228 5.324 -2.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.063 6.907 -6.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.878 5.216 -4.590 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.786 5.994 -6.742 1.00 0.00 H new ATOM 143 N ARG A 12 5.012 6.207 1.453 1.00 0.00 N ATOM 144 CA ARG A 12 4.694 5.726 2.792 1.00 0.00 C ATOM 145 C ARG A 12 4.186 4.288 2.747 1.00 0.00 C ATOM 146 O ARG A 12 3.637 3.845 1.739 1.00 0.00 O ATOM 147 CB ARG A 12 3.646 6.629 3.446 1.00 0.00 C ATOM 148 CG ARG A 12 2.223 6.329 3.003 1.00 0.00 C ATOM 149 CD ARG A 12 1.313 7.531 3.204 1.00 0.00 C ATOM 150 NE ARG A 12 0.959 7.720 4.608 1.00 0.00 N ATOM 151 CZ ARG A 12 1.641 8.500 5.439 1.00 0.00 C ATOM 152 NH1 ARG A 12 2.707 9.160 5.010 1.00 0.00 N ATOM 153 NH2 ARG A 12 1.256 8.622 6.704 1.00 0.00 N ATOM 0 H ARG A 12 4.270 6.067 0.767 1.00 0.00 H new ATOM 0 HA ARG A 12 5.607 5.752 3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.711 6.522 4.529 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.878 7.668 3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.221 6.041 1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.836 5.480 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.809 8.427 2.831 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.405 7.401 2.615 1.00 0.00 H new ATOM 0 HE ARG A 12 0.143 7.226 4.970 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.006 9.070 4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.228 9.758 5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.436 8.116 7.038 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.781 9.221 7.341 1.00 0.00 H new ATOM 167 N ALA A 13 4.373 3.565 3.846 1.00 0.00 N ATOM 168 CA ALA A 13 3.933 2.178 3.932 1.00 0.00 C ATOM 169 C ALA A 13 3.163 1.926 5.225 1.00 0.00 C ATOM 170 O ALA A 13 3.664 2.191 6.317 1.00 0.00 O ATOM 171 CB ALA A 13 5.125 1.238 3.834 1.00 0.00 C ATOM 0 H ALA A 13 4.826 3.917 4.689 1.00 0.00 H new ATOM 0 HA ALA A 13 3.262 1.983 3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.781 0.206 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.632 1.391 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.818 1.442 4.651 1.00 0.00 H new ATOM 177 N GLU A 14 1.944 1.413 5.091 1.00 0.00 N ATOM 178 CA GLU A 14 1.105 1.128 6.250 1.00 0.00 C ATOM 179 C GLU A 14 -0.185 0.430 5.829 1.00 0.00 C ATOM 180 O GLU A 14 -0.735 0.709 4.763 1.00 0.00 O ATOM 181 CB GLU A 14 0.778 2.419 7.001 1.00 0.00 C ATOM 182 CG GLU A 14 -0.001 3.426 6.171 1.00 0.00 C ATOM 183 CD GLU A 14 -0.080 4.789 6.830 1.00 0.00 C ATOM 184 OE1 GLU A 14 0.909 5.547 6.748 1.00 0.00 O ATOM 185 OE2 GLU A 14 -1.133 5.098 7.427 1.00 0.00 O ATOM 0 H GLU A 14 1.516 1.186 4.193 1.00 0.00 H new ATOM 0 HA GLU A 14 1.659 0.462 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.203 2.174 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.707 2.879 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.469 3.526 5.193 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.010 3.049 6.002 1.00 0.00 H new ATOM 192 N TYR A 15 -0.661 -0.479 6.672 1.00 0.00 N ATOM 193 CA TYR A 15 -1.885 -1.219 6.387 1.00 0.00 C ATOM 194 C TYR A 15 -3.114 -0.336 6.581 1.00 0.00 C ATOM 195 O TYR A 15 -3.312 0.245 7.648 1.00 0.00 O ATOM 196 CB TYR A 15 -1.981 -2.452 7.287 1.00 0.00 C ATOM 197 CG TYR A 15 -1.007 -3.548 6.919 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.306 -4.464 5.918 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.213 -3.669 7.573 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.419 -5.467 5.579 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.107 -4.668 7.240 1.00 0.00 C ATOM 202 CZ TYR A 15 0.786 -5.565 6.242 1.00 0.00 C ATOM 203 OH TYR A 15 1.673 -6.563 5.908 1.00 0.00 O ATOM 0 H TYR A 15 -0.218 -0.721 7.558 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.852 -1.539 5.346 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.804 -2.152 8.320 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.995 -2.848 7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.249 -4.390 5.396 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.467 -2.969 8.356 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.668 -6.171 4.799 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.052 -4.746 7.758 1.00 0.00 H new ATOM 0 HH TYR A 15 1.974 -6.437 4.984 1.00 0.00 H new ATOM 213 N ALA A 16 -3.936 -0.241 5.542 1.00 0.00 N ATOM 214 CA ALA A 16 -5.148 0.567 5.598 1.00 0.00 C ATOM 215 C ALA A 16 -6.052 0.123 6.742 1.00 0.00 C ATOM 216 O ALA A 16 -6.393 -1.054 6.857 1.00 0.00 O ATOM 217 CB ALA A 16 -5.893 0.493 4.273 1.00 0.00 C ATOM 0 H ALA A 16 -3.785 -0.714 4.651 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.857 1.601 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.796 1.101 4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.253 0.867 3.474 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.165 -0.542 4.066 1.00 0.00 H new ATOM 223 N LYS A 17 -6.439 1.073 7.587 1.00 0.00 N ATOM 224 CA LYS A 17 -7.305 0.780 8.723 1.00 0.00 C ATOM 225 C LYS A 17 -8.766 1.046 8.376 1.00 0.00 C ATOM 226 O LYS A 17 -9.572 1.371 9.248 1.00 0.00 O ATOM 227 CB LYS A 17 -6.896 1.623 9.933 1.00 0.00 C ATOM 228 CG LYS A 17 -5.698 1.068 10.684 1.00 0.00 C ATOM 229 CD LYS A 17 -6.084 -0.114 11.556 1.00 0.00 C ATOM 230 CE LYS A 17 -6.497 0.332 12.950 1.00 0.00 C ATOM 231 NZ LYS A 17 -5.379 0.999 13.672 1.00 0.00 N ATOM 0 H LYS A 17 -6.166 2.053 7.506 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.195 -0.276 8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.668 2.635 9.600 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.741 1.696 10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.932 0.761 9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.262 1.851 11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.905 -0.659 11.089 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.243 -0.804 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.342 1.017 12.877 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.835 -0.532 13.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.499 0.866 14.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.475 0.582 13.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.381 2.016 13.452 1.00 0.00 H new ATOM 245 N SER A 18 -9.101 0.904 7.097 1.00 0.00 N ATOM 246 CA SER A 18 -10.465 1.131 6.635 1.00 0.00 C ATOM 247 C SER A 18 -10.607 0.767 5.160 1.00 0.00 C ATOM 248 O SER A 18 -9.630 0.410 4.501 1.00 0.00 O ATOM 249 CB SER A 18 -10.863 2.592 6.852 1.00 0.00 C ATOM 250 OG SER A 18 -11.443 2.778 8.131 1.00 0.00 O ATOM 0 H SER A 18 -8.447 0.633 6.363 1.00 0.00 H new ATOM 0 HA SER A 18 -11.130 0.491 7.215 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.985 3.230 6.751 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.570 2.898 6.081 1.00 0.00 H new ATOM 0 HG SER A 18 -10.790 2.546 8.823 1.00 0.00 H new ATOM 256 N SER A 19 -11.830 0.860 4.649 1.00 0.00 N ATOM 257 CA SER A 19 -12.101 0.537 3.253 1.00 0.00 C ATOM 258 C SER A 19 -12.897 1.652 2.582 1.00 0.00 C ATOM 259 O SER A 19 -13.762 1.396 1.745 1.00 0.00 O ATOM 260 CB SER A 19 -12.869 -0.783 3.153 1.00 0.00 C ATOM 261 OG SER A 19 -12.302 -1.768 4.000 1.00 0.00 O ATOM 0 H SER A 19 -12.649 1.156 5.180 1.00 0.00 H new ATOM 0 HA SER A 19 -11.146 0.435 2.738 1.00 0.00 H new ATOM 0 HB2 SER A 19 -13.912 -0.622 3.425 1.00 0.00 H new ATOM 0 HB3 SER A 19 -12.859 -1.136 2.122 1.00 0.00 H new ATOM 0 HG SER A 19 -12.811 -2.601 3.919 1.00 0.00 H new ATOM 267 N ARG A 20 -12.597 2.892 2.956 1.00 0.00 N ATOM 268 CA ARG A 20 -13.284 4.047 2.392 1.00 0.00 C ATOM 269 C ARG A 20 -12.515 4.608 1.200 1.00 0.00 C ATOM 270 O ARG A 20 -13.109 5.014 0.201 1.00 0.00 O ATOM 271 CB ARG A 20 -13.458 5.133 3.456 1.00 0.00 C ATOM 272 CG ARG A 20 -14.405 4.739 4.578 1.00 0.00 C ATOM 273 CD ARG A 20 -15.840 5.133 4.260 1.00 0.00 C ATOM 274 NE ARG A 20 -15.980 6.572 4.058 1.00 0.00 N ATOM 275 CZ ARG A 20 -17.089 7.146 3.605 1.00 0.00 C ATOM 276 NH1 ARG A 20 -18.149 6.407 3.309 1.00 0.00 N ATOM 277 NH2 ARG A 20 -17.139 8.463 3.447 1.00 0.00 N ATOM 0 H ARG A 20 -11.883 3.122 3.647 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.266 3.722 2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.484 5.373 3.882 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.830 6.040 2.980 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.350 3.663 4.741 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.092 5.219 5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -16.170 4.607 3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -16.492 4.816 5.074 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.183 7.169 4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -18.115 5.395 3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -18.999 6.851 2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -16.325 9.035 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -17.991 8.903 3.099 1.00 0.00 H new ATOM 291 N SER A 21 -11.191 4.629 1.312 1.00 0.00 N ATOM 292 CA SER A 21 -10.341 5.144 0.245 1.00 0.00 C ATOM 293 C SER A 21 -10.395 4.236 -0.979 1.00 0.00 C ATOM 294 O SER A 21 -10.813 3.081 -0.891 1.00 0.00 O ATOM 295 CB SER A 21 -8.897 5.275 0.733 1.00 0.00 C ATOM 296 OG SER A 21 -8.335 4.005 1.012 1.00 0.00 O ATOM 0 H SER A 21 -10.683 4.295 2.131 1.00 0.00 H new ATOM 0 HA SER A 21 -10.713 6.129 -0.038 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.299 5.782 -0.024 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.868 5.894 1.630 1.00 0.00 H new ATOM 0 HG SER A 21 -7.369 4.033 0.852 1.00 0.00 H new ATOM 302 N SER A 22 -9.971 4.767 -2.122 1.00 0.00 N ATOM 303 CA SER A 22 -9.975 4.006 -3.366 1.00 0.00 C ATOM 304 C SER A 22 -8.707 4.277 -4.171 1.00 0.00 C ATOM 305 O SER A 22 -8.340 5.429 -4.405 1.00 0.00 O ATOM 306 CB SER A 22 -11.208 4.358 -4.200 1.00 0.00 C ATOM 307 OG SER A 22 -12.394 4.236 -3.434 1.00 0.00 O ATOM 0 H SER A 22 -9.621 5.721 -2.212 1.00 0.00 H new ATOM 0 HA SER A 22 -10.006 2.946 -3.115 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.118 5.377 -4.576 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.263 3.701 -5.068 1.00 0.00 H new ATOM 0 HG SER A 22 -13.167 4.468 -3.989 1.00 0.00 H new ATOM 313 N CYS A 23 -8.043 3.207 -4.594 1.00 0.00 N ATOM 314 CA CYS A 23 -6.816 3.326 -5.373 1.00 0.00 C ATOM 315 C CYS A 23 -6.996 4.313 -6.522 1.00 0.00 C ATOM 316 O CYS A 23 -8.118 4.595 -6.944 1.00 0.00 O ATOM 317 CB CYS A 23 -6.400 1.959 -5.920 1.00 0.00 C ATOM 318 SG CYS A 23 -4.843 1.979 -6.866 1.00 0.00 S ATOM 0 H CYS A 23 -8.334 2.247 -4.410 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.032 3.700 -4.715 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.298 1.262 -5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.196 1.578 -6.559 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.549 0.770 -7.244 1.00 0.00 H new ATOM 323 N LYS A 24 -5.883 4.836 -7.025 1.00 0.00 N ATOM 324 CA LYS A 24 -5.915 5.791 -8.127 1.00 0.00 C ATOM 325 C LYS A 24 -5.465 5.135 -9.428 1.00 0.00 C ATOM 326 O LYS A 24 -5.889 5.531 -10.515 1.00 0.00 O ATOM 327 CB LYS A 24 -5.021 6.993 -7.813 1.00 0.00 C ATOM 328 CG LYS A 24 -5.422 7.736 -6.551 1.00 0.00 C ATOM 329 CD LYS A 24 -6.442 8.823 -6.845 1.00 0.00 C ATOM 330 CE LYS A 24 -5.768 10.130 -7.235 1.00 0.00 C ATOM 331 NZ LYS A 24 -5.399 10.941 -6.041 1.00 0.00 N ATOM 0 H LYS A 24 -4.947 4.614 -6.687 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.943 6.133 -8.250 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.991 6.652 -7.712 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.047 7.684 -8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.837 7.032 -5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.538 8.179 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.100 8.497 -7.651 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.068 8.983 -5.967 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.873 9.917 -7.820 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.437 10.707 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.942 11.823 -6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.256 11.166 -5.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.741 10.400 -5.444 1.00 0.00 H new ATOM 345 N THR A 25 -4.604 4.128 -9.312 1.00 0.00 N ATOM 346 CA THR A 25 -4.097 3.418 -10.479 1.00 0.00 C ATOM 347 C THR A 25 -5.185 2.562 -11.117 1.00 0.00 C ATOM 348 O THR A 25 -5.426 2.642 -12.322 1.00 0.00 O ATOM 349 CB THR A 25 -2.901 2.519 -10.114 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.715 3.311 -9.980 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.685 1.448 -11.173 1.00 0.00 C ATOM 0 H THR A 25 -4.244 3.786 -8.421 1.00 0.00 H new ATOM 0 HA THR A 25 -3.769 4.175 -11.191 1.00 0.00 H new ATOM 0 HB THR A 25 -3.120 2.030 -9.165 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.008 2.774 -9.564 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.835 0.826 -10.893 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.578 0.828 -11.251 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.487 1.922 -12.134 1.00 0.00 H new ATOM 359 N CYS A 26 -5.841 1.743 -10.302 1.00 0.00 N ATOM 360 CA CYS A 26 -6.905 0.872 -10.786 1.00 0.00 C ATOM 361 C CYS A 26 -8.274 1.501 -10.550 1.00 0.00 C ATOM 362 O CYS A 26 -9.267 1.104 -11.159 1.00 0.00 O ATOM 363 CB CYS A 26 -6.831 -0.491 -10.094 1.00 0.00 C ATOM 364 SG CYS A 26 -7.172 -0.436 -8.306 1.00 0.00 S ATOM 0 H CYS A 26 -5.654 1.664 -9.302 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.768 0.736 -11.859 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.543 -1.166 -10.568 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.838 -0.913 -10.251 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.287 0.313 -7.718 1.00 0.00 H new ATOM 369 N LYS A 27 -8.320 2.487 -9.660 1.00 0.00 N ATOM 370 CA LYS A 27 -9.566 3.175 -9.342 1.00 0.00 C ATOM 371 C LYS A 27 -10.534 2.242 -8.621 1.00 0.00 C ATOM 372 O LYS A 27 -11.725 2.210 -8.929 1.00 0.00 O ATOM 373 CB LYS A 27 -10.215 3.713 -10.619 1.00 0.00 C ATOM 374 CG LYS A 27 -9.276 4.544 -11.475 1.00 0.00 C ATOM 375 CD LYS A 27 -8.974 5.887 -10.830 1.00 0.00 C ATOM 376 CE LYS A 27 -10.110 6.875 -11.043 1.00 0.00 C ATOM 377 NZ LYS A 27 -10.079 7.472 -12.407 1.00 0.00 N ATOM 0 H LYS A 27 -7.508 2.828 -9.146 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.333 4.009 -8.681 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.585 2.875 -11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.080 4.319 -10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.346 3.998 -11.632 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.722 4.703 -12.457 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.806 5.749 -9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.053 6.294 -11.248 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.064 6.370 -10.889 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.046 7.668 -10.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.869 8.140 -12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.180 7.976 -12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.166 6.718 -13.118 1.00 0.00 H new ATOM 391 N SER A 28 -10.014 1.484 -7.661 1.00 0.00 N ATOM 392 CA SER A 28 -10.832 0.549 -6.898 1.00 0.00 C ATOM 393 C SER A 28 -10.756 0.853 -5.405 1.00 0.00 C ATOM 394 O SER A 28 -10.107 1.812 -4.987 1.00 0.00 O ATOM 395 CB SER A 28 -10.379 -0.889 -7.160 1.00 0.00 C ATOM 396 OG SER A 28 -10.312 -1.157 -8.550 1.00 0.00 O ATOM 0 H SER A 28 -9.030 1.499 -7.393 1.00 0.00 H new ATOM 0 HA SER A 28 -11.867 0.662 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.401 -1.054 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.072 -1.584 -6.685 1.00 0.00 H new ATOM 0 HG SER A 28 -9.391 -1.038 -8.862 1.00 0.00 H new ATOM 402 N VAL A 29 -11.425 0.029 -4.605 1.00 0.00 N ATOM 403 CA VAL A 29 -11.434 0.208 -3.158 1.00 0.00 C ATOM 404 C VAL A 29 -10.300 -0.570 -2.501 1.00 0.00 C ATOM 405 O VAL A 29 -9.963 -1.675 -2.927 1.00 0.00 O ATOM 406 CB VAL A 29 -12.773 -0.243 -2.545 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.563 -0.776 -1.136 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.772 0.904 -2.546 1.00 0.00 C ATOM 0 H VAL A 29 -11.968 -0.769 -4.935 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.297 1.273 -2.970 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.179 -1.049 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.520 -1.090 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.884 -1.628 -1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.134 0.007 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.712 0.568 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.375 1.733 -1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.945 1.235 -3.570 1.00 0.00 H new ATOM 418 N ILE A 30 -9.714 0.014 -1.461 1.00 0.00 N ATOM 419 CA ILE A 30 -8.617 -0.625 -0.744 1.00 0.00 C ATOM 420 C ILE A 30 -9.078 -1.145 0.613 1.00 0.00 C ATOM 421 O ILE A 30 -9.002 -0.438 1.618 1.00 0.00 O ATOM 422 CB ILE A 30 -7.439 0.345 -0.537 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.899 0.822 -1.887 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.338 -0.325 0.272 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.128 2.120 -1.805 1.00 0.00 C ATOM 0 H ILE A 30 -9.980 0.928 -1.096 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.283 -1.462 -1.357 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.795 1.213 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.252 0.050 -2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.732 0.947 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.512 0.373 0.410 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.730 -0.621 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.982 -1.208 -0.259 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.775 2.397 -2.798 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.778 2.905 -1.418 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.274 1.995 -1.139 1.00 0.00 H new ATOM 437 N ASN A 31 -9.553 -2.386 0.636 1.00 0.00 N ATOM 438 CA ASN A 31 -10.024 -3.002 1.871 1.00 0.00 C ATOM 439 C ASN A 31 -8.948 -2.949 2.950 1.00 0.00 C ATOM 440 O ASN A 31 -7.787 -3.277 2.703 1.00 0.00 O ATOM 441 CB ASN A 31 -10.436 -4.453 1.616 1.00 0.00 C ATOM 442 CG ASN A 31 -11.233 -4.612 0.336 1.00 0.00 C ATOM 443 OD1 ASN A 31 -10.678 -4.572 -0.763 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.541 -4.794 0.472 1.00 0.00 N ATOM 0 H ASN A 31 -9.622 -2.985 -0.187 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.891 -2.441 2.220 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.544 -5.077 1.565 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.029 -4.812 2.457 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.129 -4.908 -0.354 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.958 -4.820 1.402 1.00 0.00 H new ATOM 451 N LYS A 32 -9.341 -2.534 4.150 1.00 0.00 N ATOM 452 CA LYS A 32 -8.412 -2.439 5.269 1.00 0.00 C ATOM 453 C LYS A 32 -7.650 -3.747 5.457 1.00 0.00 C ATOM 454 O LYS A 32 -8.044 -4.785 4.928 1.00 0.00 O ATOM 455 CB LYS A 32 -9.164 -2.086 6.555 1.00 0.00 C ATOM 456 CG LYS A 32 -9.817 -3.282 7.225 1.00 0.00 C ATOM 457 CD LYS A 32 -11.159 -2.916 7.836 1.00 0.00 C ATOM 458 CE LYS A 32 -10.991 -2.260 9.198 1.00 0.00 C ATOM 459 NZ LYS A 32 -12.208 -2.416 10.042 1.00 0.00 N ATOM 0 H LYS A 32 -10.298 -2.258 4.372 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.694 -1.649 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.470 -1.621 7.256 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.930 -1.345 6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.954 -4.079 6.494 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.157 -3.671 8.001 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.692 -2.239 7.168 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.771 -3.812 7.936 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.135 -2.700 9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.774 -1.200 9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.054 -1.956 10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.020 -1.974 9.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.401 -3.427 10.189 1.00 0.00 H new ATOM 473 N GLU A 33 -6.558 -3.687 6.213 1.00 0.00 N ATOM 474 CA GLU A 33 -5.742 -4.868 6.470 1.00 0.00 C ATOM 475 C GLU A 33 -4.957 -5.269 5.224 1.00 0.00 C ATOM 476 O GLU A 33 -4.586 -6.430 5.058 1.00 0.00 O ATOM 477 CB GLU A 33 -6.622 -6.033 6.928 1.00 0.00 C ATOM 478 CG GLU A 33 -7.740 -5.618 7.870 1.00 0.00 C ATOM 479 CD GLU A 33 -8.077 -6.693 8.885 1.00 0.00 C ATOM 480 OE1 GLU A 33 -8.527 -7.782 8.470 1.00 0.00 O ATOM 481 OE2 GLU A 33 -7.890 -6.446 10.094 1.00 0.00 O ATOM 0 H GLU A 33 -6.218 -2.834 6.658 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.034 -4.623 7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.056 -6.515 6.052 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.997 -6.776 7.424 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.449 -4.707 8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.631 -5.381 7.288 1.00 0.00 H new ATOM 488 N ASN A 34 -4.709 -4.298 4.351 1.00 0.00 N ATOM 489 CA ASN A 34 -3.970 -4.548 3.119 1.00 0.00 C ATOM 490 C ASN A 34 -2.786 -3.595 2.991 1.00 0.00 C ATOM 491 O ASN A 34 -2.877 -2.423 3.357 1.00 0.00 O ATOM 492 CB ASN A 34 -4.892 -4.399 1.907 1.00 0.00 C ATOM 493 CG ASN A 34 -5.566 -5.704 1.529 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.995 -6.527 0.814 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.789 -5.899 2.011 1.00 0.00 N ATOM 0 H ASN A 34 -5.009 -3.331 4.474 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.589 -5.569 3.155 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.653 -3.649 2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.315 -4.032 1.058 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.293 -6.759 1.792 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.224 -5.189 2.600 1.00 0.00 H new ATOM 502 N PHE A 35 -1.675 -4.105 2.470 1.00 0.00 N ATOM 503 CA PHE A 35 -0.473 -3.299 2.294 1.00 0.00 C ATOM 504 C PHE A 35 -0.608 -2.376 1.087 1.00 0.00 C ATOM 505 O PHE A 35 -0.642 -2.833 -0.056 1.00 0.00 O ATOM 506 CB PHE A 35 0.751 -4.202 2.126 1.00 0.00 C ATOM 507 CG PHE A 35 1.917 -3.516 1.472 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.213 -2.194 1.766 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.716 -4.192 0.565 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.285 -1.560 1.167 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.789 -3.563 -0.037 1.00 0.00 C ATOM 512 CZ PHE A 35 4.074 -2.245 0.263 1.00 0.00 C ATOM 0 H PHE A 35 -1.582 -5.073 2.162 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.344 -2.685 3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.058 -4.570 3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.472 -5.072 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.599 -1.653 2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.498 -5.222 0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.506 -0.530 1.405 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.405 -4.102 -0.742 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.911 -1.751 -0.208 1.00 0.00 H new ATOM 522 N ARG A 36 -0.686 -1.076 1.349 1.00 0.00 N ATOM 523 CA ARG A 36 -0.819 -0.088 0.285 1.00 0.00 C ATOM 524 C ARG A 36 0.375 0.862 0.273 1.00 0.00 C ATOM 525 O ARG A 36 1.280 0.750 1.101 1.00 0.00 O ATOM 526 CB ARG A 36 -2.115 0.706 0.457 1.00 0.00 C ATOM 527 CG ARG A 36 -2.244 1.375 1.816 1.00 0.00 C ATOM 528 CD ARG A 36 -3.475 2.264 1.885 1.00 0.00 C ATOM 529 NE ARG A 36 -3.616 2.905 3.190 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.540 3.819 3.464 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.401 4.197 2.530 1.00 0.00 N ATOM 532 NH2 ARG A 36 -4.605 4.356 4.676 1.00 0.00 N ATOM 0 H ARG A 36 -0.659 -0.682 2.289 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.849 -0.618 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.170 1.468 -0.320 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.963 0.038 0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.300 0.613 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.353 1.970 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.414 3.029 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.364 1.669 1.676 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.969 2.636 3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.355 3.786 1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.109 4.899 2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.945 4.067 5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.315 5.058 4.885 1.00 0.00 H new ATOM 546 N LEU A 37 0.370 1.797 -0.671 1.00 0.00 N ATOM 547 CA LEU A 37 1.452 2.768 -0.791 1.00 0.00 C ATOM 548 C LEU A 37 0.903 4.165 -1.060 1.00 0.00 C ATOM 549 O LEU A 37 0.098 4.363 -1.969 1.00 0.00 O ATOM 550 CB LEU A 37 2.408 2.359 -1.914 1.00 0.00 C ATOM 551 CG LEU A 37 3.218 1.085 -1.673 1.00 0.00 C ATOM 552 CD1 LEU A 37 3.905 0.639 -2.955 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.241 1.304 -0.568 1.00 0.00 C ATOM 0 H LEU A 37 -0.371 1.903 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 37 1.996 2.787 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.829 2.230 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.103 3.180 -2.090 1.00 0.00 H new ATOM 0 HG LEU A 37 2.534 0.297 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.477 -0.269 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.154 0.441 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.577 1.425 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.808 0.387 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.921 2.106 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.728 1.576 0.354 1.00 0.00 H new ATOM 565 N GLY A 38 1.346 5.133 -0.263 1.00 0.00 N ATOM 566 CA GLY A 38 0.890 6.501 -0.433 1.00 0.00 C ATOM 567 C GLY A 38 1.994 7.425 -0.906 1.00 0.00 C ATOM 568 O GLY A 38 2.970 7.656 -0.193 1.00 0.00 O ATOM 0 H GLY A 38 2.012 4.995 0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.071 6.521 -1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.493 6.869 0.513 1.00 0.00 H new ATOM 572 N LYS A 39 1.841 7.956 -2.115 1.00 0.00 N ATOM 573 CA LYS A 39 2.832 8.861 -2.685 1.00 0.00 C ATOM 574 C LYS A 39 2.643 10.278 -2.155 1.00 0.00 C ATOM 575 O LYS A 39 1.822 11.040 -2.669 1.00 0.00 O ATOM 576 CB LYS A 39 2.736 8.858 -4.212 1.00 0.00 C ATOM 577 CG LYS A 39 3.818 9.680 -4.891 1.00 0.00 C ATOM 578 CD LYS A 39 3.874 9.404 -6.384 1.00 0.00 C ATOM 579 CE LYS A 39 5.235 9.755 -6.966 1.00 0.00 C ATOM 580 NZ LYS A 39 5.141 10.151 -8.398 1.00 0.00 N ATOM 0 H LYS A 39 1.039 7.775 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 39 3.821 8.511 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.794 7.830 -4.569 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.760 9.243 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.630 10.740 -4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.785 9.453 -4.442 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.659 8.352 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.101 9.981 -6.891 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.676 10.570 -6.392 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.903 8.899 -6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.089 10.382 -8.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.744 9.364 -8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.524 10.983 -8.488 1.00 0.00 H new ATOM 594 N LEU A 40 3.407 10.627 -1.126 1.00 0.00 N ATOM 595 CA LEU A 40 3.325 11.955 -0.528 1.00 0.00 C ATOM 596 C LEU A 40 3.755 13.029 -1.523 1.00 0.00 C ATOM 597 O LEU A 40 4.941 13.178 -1.817 1.00 0.00 O ATOM 598 CB LEU A 40 4.199 12.026 0.725 1.00 0.00 C ATOM 599 CG LEU A 40 3.860 11.034 1.838 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.895 11.104 2.950 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.466 11.304 2.386 1.00 0.00 C ATOM 0 H LEU A 40 4.090 10.009 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 40 2.287 12.138 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.236 11.869 0.429 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.133 13.035 1.133 1.00 0.00 H new ATOM 0 HG LEU A 40 3.876 10.028 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.637 10.391 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.878 10.861 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.913 12.111 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.241 10.589 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.423 12.316 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.734 11.201 1.585 1.00 0.00 H new ATOM 613 N VAL A 41 2.782 13.775 -2.037 1.00 0.00 N ATOM 614 CA VAL A 41 3.060 14.837 -2.996 1.00 0.00 C ATOM 615 C VAL A 41 2.811 16.211 -2.382 1.00 0.00 C ATOM 616 O VAL A 41 2.095 16.337 -1.390 1.00 0.00 O ATOM 617 CB VAL A 41 2.196 14.689 -4.263 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.504 13.377 -4.968 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.718 14.782 -3.914 1.00 0.00 C ATOM 0 H VAL A 41 1.795 13.663 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 41 4.111 14.750 -3.270 1.00 0.00 H new ATOM 0 HB VAL A 41 2.437 15.505 -4.944 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.885 13.289 -5.861 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.556 13.355 -5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.293 12.545 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.123 14.675 -4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.459 13.988 -3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.512 15.750 -3.457 1.00 0.00 H new ATOM 777 N MET A 52 -1.183 9.797 -2.262 1.00 0.00 N ATOM 778 CA MET A 52 -1.870 8.995 -3.267 1.00 0.00 C ATOM 779 C MET A 52 -1.943 7.532 -2.840 1.00 0.00 C ATOM 780 O MET A 52 -0.999 6.769 -3.045 1.00 0.00 O ATOM 781 CB MET A 52 -1.158 9.109 -4.616 1.00 0.00 C ATOM 782 CG MET A 52 -1.077 10.534 -5.142 1.00 0.00 C ATOM 783 SD MET A 52 -0.894 10.603 -6.934 1.00 0.00 S ATOM 784 CE MET A 52 -2.187 11.767 -7.361 1.00 0.00 C ATOM 0 HA MET A 52 -2.886 9.377 -3.367 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.149 8.708 -4.520 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.679 8.490 -5.346 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.977 11.076 -4.851 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.234 11.042 -4.675 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.934 12.264 -8.297 1.00 0.00 H new ATOM 0 HE2 MET A 52 -3.132 11.235 -7.476 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.283 12.510 -6.570 1.00 0.00 H new ATOM 794 N TRP A 53 -3.067 7.149 -2.245 1.00 0.00 N ATOM 795 CA TRP A 53 -3.261 5.778 -1.789 1.00 0.00 C ATOM 796 C TRP A 53 -3.450 4.832 -2.970 1.00 0.00 C ATOM 797 O TRP A 53 -4.474 4.872 -3.651 1.00 0.00 O ATOM 798 CB TRP A 53 -4.470 5.695 -0.856 1.00 0.00 C ATOM 799 CG TRP A 53 -4.228 6.317 0.486 1.00 0.00 C ATOM 800 CD1 TRP A 53 -4.943 7.327 1.063 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.198 5.969 1.418 1.00 0.00 C ATOM 802 NE1 TRP A 53 -4.420 7.629 2.297 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.349 6.809 2.539 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.164 5.029 1.416 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -2.504 6.737 3.643 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.326 4.958 2.513 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.500 5.807 3.614 1.00 0.00 C ATOM 0 H TRP A 53 -3.858 7.769 -2.067 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.368 5.474 -1.243 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.320 6.188 -1.329 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.744 4.649 -0.720 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.795 7.817 0.615 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.772 8.347 2.930 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.022 4.370 0.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -2.636 7.391 4.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.523 4.236 2.522 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -0.829 5.726 4.456 1.00 0.00 H new ATOM 818 N ASN A 54 -2.455 3.984 -3.209 1.00 0.00 N ATOM 819 CA ASN A 54 -2.512 3.028 -4.309 1.00 0.00 C ATOM 820 C ASN A 54 -2.012 1.657 -3.866 1.00 0.00 C ATOM 821 O ASN A 54 -0.997 1.581 -3.174 1.00 0.00 O ATOM 822 CB ASN A 54 -1.681 3.530 -5.491 1.00 0.00 C ATOM 823 CG ASN A 54 -2.053 4.941 -5.903 1.00 0.00 C ATOM 824 OD1 ASN A 54 -3.206 5.220 -6.231 1.00 0.00 O ATOM 825 ND2 ASN A 54 -1.075 5.839 -5.888 1.00 0.00 N ATOM 0 H ASN A 54 -1.599 3.939 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.552 2.931 -4.620 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.624 3.498 -5.227 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.818 2.859 -6.339 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.265 6.805 -6.155 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.134 5.563 -5.609 1.00 0.00 H new ATOM 832 N HIS A 55 -2.725 0.616 -4.268 1.00 0.00 N ATOM 833 CA HIS A 55 -2.343 -0.739 -3.907 1.00 0.00 C ATOM 834 C HIS A 55 -0.842 -0.926 -4.134 1.00 0.00 C ATOM 835 O HIS A 55 -0.286 -0.551 -5.166 1.00 0.00 O ATOM 836 CB HIS A 55 -3.190 -1.763 -4.665 1.00 0.00 C ATOM 837 CG HIS A 55 -4.671 -1.658 -4.392 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.554 -1.050 -5.267 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.415 -2.092 -3.334 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.771 -1.118 -4.748 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.683 -1.764 -3.550 1.00 0.00 N ATOM 0 H HIS A 55 -3.566 0.683 -4.841 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.539 -0.906 -2.848 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.019 -1.641 -5.734 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.852 -2.765 -4.401 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.309 -0.622 -6.160 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.036 -2.614 -2.468 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.674 -0.730 -5.195 1.00 0.00 H new ATOM 849 N ALA A 56 -0.193 -1.519 -3.137 1.00 0.00 N ATOM 850 CA ALA A 56 1.241 -1.771 -3.202 1.00 0.00 C ATOM 851 C ALA A 56 1.611 -2.515 -4.482 1.00 0.00 C ATOM 852 O ALA A 56 2.757 -2.470 -4.928 1.00 0.00 O ATOM 853 CB ALA A 56 1.695 -2.559 -1.982 1.00 0.00 C ATOM 0 H ALA A 56 -0.638 -1.834 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 56 1.753 -0.809 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.768 -2.740 -2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.475 -1.990 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.168 -3.512 -1.948 1.00 0.00 H new ATOM 859 N SER A 57 0.632 -3.199 -5.066 1.00 0.00 N ATOM 860 CA SER A 57 0.856 -3.956 -6.292 1.00 0.00 C ATOM 861 C SER A 57 0.572 -3.097 -7.521 1.00 0.00 C ATOM 862 O SER A 57 1.088 -3.358 -8.608 1.00 0.00 O ATOM 863 CB SER A 57 -0.028 -5.205 -6.314 1.00 0.00 C ATOM 864 OG SER A 57 -0.082 -5.769 -7.612 1.00 0.00 O ATOM 0 H SER A 57 -0.323 -3.244 -4.710 1.00 0.00 H new ATOM 0 HA SER A 57 1.903 -4.259 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.360 -5.941 -5.610 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.034 -4.948 -5.984 1.00 0.00 H new ATOM 0 HG SER A 57 -0.652 -6.566 -7.599 1.00 0.00 H new ATOM 870 N CYS A 58 -0.252 -2.071 -7.340 1.00 0.00 N ATOM 871 CA CYS A 58 -0.606 -1.172 -8.432 1.00 0.00 C ATOM 872 C CYS A 58 0.548 -0.227 -8.754 1.00 0.00 C ATOM 873 O CYS A 58 0.675 0.253 -9.881 1.00 0.00 O ATOM 874 CB CYS A 58 -1.855 -0.365 -8.071 1.00 0.00 C ATOM 875 SG CYS A 58 -3.416 -1.280 -8.280 1.00 0.00 S ATOM 0 H CYS A 58 -0.688 -1.841 -6.447 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.815 -1.777 -9.315 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.775 -0.036 -7.035 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.886 0.532 -8.689 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.319 -0.490 -8.781 1.00 0.00 H new ATOM 880 N ILE A 59 1.386 0.037 -7.757 1.00 0.00 N ATOM 881 CA ILE A 59 2.529 0.923 -7.935 1.00 0.00 C ATOM 882 C ILE A 59 3.765 0.145 -8.375 1.00 0.00 C ATOM 883 O ILE A 59 4.412 0.493 -9.364 1.00 0.00 O ATOM 884 CB ILE A 59 2.854 1.690 -6.639 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.650 2.524 -6.199 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.074 2.576 -6.839 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.421 3.752 -7.051 1.00 0.00 C ATOM 0 H ILE A 59 1.295 -0.350 -6.818 1.00 0.00 H new ATOM 0 HA ILE A 59 2.256 1.637 -8.712 1.00 0.00 H new ATOM 0 HB ILE A 59 3.079 0.968 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.757 1.900 -6.228 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.791 2.832 -5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.291 3.111 -5.914 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.931 1.959 -7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.876 3.293 -7.636 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.551 4.295 -6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.298 4.397 -7.003 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.248 3.451 -8.084 1.00 0.00 H new ATOM 899 N LEU A 60 4.086 -0.911 -7.636 1.00 0.00 N ATOM 900 CA LEU A 60 5.244 -1.741 -7.951 1.00 0.00 C ATOM 901 C LEU A 60 5.197 -2.214 -9.401 1.00 0.00 C ATOM 902 O LEU A 60 6.232 -2.376 -10.046 1.00 0.00 O ATOM 903 CB LEU A 60 5.302 -2.947 -7.011 1.00 0.00 C ATOM 904 CG LEU A 60 5.571 -2.637 -5.538 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.377 -3.882 -4.687 1.00 0.00 C ATOM 906 CD2 LEU A 60 6.976 -2.080 -5.359 1.00 0.00 C ATOM 0 H LEU A 60 3.561 -1.213 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 60 6.141 -1.137 -7.814 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.356 -3.484 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.079 -3.623 -7.367 1.00 0.00 H new ATOM 0 HG LEU A 60 4.857 -1.882 -5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.573 -3.642 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.352 -4.238 -4.792 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.067 -4.659 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.151 -1.865 -4.305 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.705 -2.813 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.080 -1.163 -5.939 1.00 0.00 H new ATOM 918 N LYS A 61 3.988 -2.432 -9.907 1.00 0.00 N ATOM 919 CA LYS A 61 3.804 -2.882 -11.282 1.00 0.00 C ATOM 920 C LYS A 61 4.257 -1.813 -12.270 1.00 0.00 C ATOM 921 O LYS A 61 4.599 -2.114 -13.414 1.00 0.00 O ATOM 922 CB LYS A 61 2.336 -3.234 -11.533 1.00 0.00 C ATOM 923 CG LYS A 61 1.430 -2.021 -11.646 1.00 0.00 C ATOM 924 CD LYS A 61 0.247 -2.290 -12.561 1.00 0.00 C ATOM 925 CE LYS A 61 -0.938 -2.850 -11.790 1.00 0.00 C ATOM 926 NZ LYS A 61 -1.978 -3.408 -12.698 1.00 0.00 N ATOM 0 H LYS A 61 3.121 -2.304 -9.386 1.00 0.00 H new ATOM 0 HA LYS A 61 4.416 -3.772 -11.431 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.263 -3.818 -12.450 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.980 -3.869 -10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.069 -1.742 -10.656 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.001 -1.174 -12.027 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.046 -1.366 -13.060 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.541 -2.994 -13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.593 -3.629 -11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.376 -2.063 -11.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.769 -3.779 -12.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.326 -2.659 -13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.567 -4.176 -13.266 1.00 0.00 H new ATOM 940 N LYS A 62 4.259 -0.562 -11.822 1.00 0.00 N ATOM 941 CA LYS A 62 4.673 0.553 -12.666 1.00 0.00 C ATOM 942 C LYS A 62 6.172 0.804 -12.539 1.00 0.00 C ATOM 943 O LYS A 62 6.877 0.076 -11.840 1.00 0.00 O ATOM 944 CB LYS A 62 3.900 1.819 -12.289 1.00 0.00 C ATOM 945 CG LYS A 62 2.474 1.840 -12.813 1.00 0.00 C ATOM 946 CD LYS A 62 1.821 3.195 -12.600 1.00 0.00 C ATOM 947 CE LYS A 62 0.318 3.066 -12.413 1.00 0.00 C ATOM 948 NZ LYS A 62 -0.407 4.275 -12.894 1.00 0.00 N ATOM 0 H LYS A 62 3.978 -0.295 -10.879 1.00 0.00 H new ATOM 0 HA LYS A 62 4.452 0.294 -13.701 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.881 1.913 -11.203 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.433 2.688 -12.675 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.472 1.598 -13.876 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.889 1.070 -12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.257 3.677 -11.725 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.028 3.838 -13.455 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.041 2.189 -12.952 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.096 2.905 -11.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.429 4.148 -12.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -0.083 5.108 -12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.216 4.414 -13.907 1.00 0.00 H new ATOM 962 N THR A 63 6.654 1.840 -13.219 1.00 0.00 N ATOM 963 CA THR A 63 8.069 2.187 -13.182 1.00 0.00 C ATOM 964 C THR A 63 8.266 3.654 -12.820 1.00 0.00 C ATOM 965 O THR A 63 7.339 4.459 -12.918 1.00 0.00 O ATOM 966 CB THR A 63 8.751 1.908 -14.534 1.00 0.00 C ATOM 967 OG1 THR A 63 8.396 0.602 -15.002 1.00 0.00 O ATOM 968 CG2 THR A 63 10.264 2.012 -14.410 1.00 0.00 C ATOM 0 H THR A 63 6.085 2.453 -13.802 1.00 0.00 H new ATOM 0 HA THR A 63 8.528 1.562 -12.416 1.00 0.00 H new ATOM 0 HB THR A 63 8.408 2.656 -15.249 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.832 0.433 -15.863 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.723 1.811 -15.378 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.534 3.016 -14.082 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.620 1.284 -13.681 1.00 0.00 H new ATOM 976 N LYS A 64 9.479 3.997 -12.400 1.00 0.00 N ATOM 977 CA LYS A 64 9.800 5.369 -12.025 1.00 0.00 C ATOM 978 C LYS A 64 8.885 5.855 -10.905 1.00 0.00 C ATOM 979 O LYS A 64 8.386 6.979 -10.944 1.00 0.00 O ATOM 980 CB LYS A 64 9.674 6.294 -13.238 1.00 0.00 C ATOM 981 CG LYS A 64 10.573 5.902 -14.397 1.00 0.00 C ATOM 982 CD LYS A 64 10.933 7.103 -15.255 1.00 0.00 C ATOM 983 CE LYS A 64 11.234 6.694 -16.689 1.00 0.00 C ATOM 984 NZ LYS A 64 9.992 6.557 -17.499 1.00 0.00 N ATOM 0 H LYS A 64 10.257 3.343 -12.311 1.00 0.00 H new ATOM 0 HA LYS A 64 10.829 5.390 -11.665 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.638 6.296 -13.577 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.911 7.313 -12.933 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.484 5.442 -14.013 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.072 5.153 -15.010 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.111 7.818 -15.245 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.800 7.608 -14.830 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.887 7.436 -17.149 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.775 5.748 -16.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.240 6.277 -18.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.379 5.831 -17.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.488 7.467 -17.519 1.00 0.00 H new ATOM 998 N GLN A 65 8.670 5.000 -9.910 1.00 0.00 N ATOM 999 CA GLN A 65 7.816 5.344 -8.780 1.00 0.00 C ATOM 1000 C GLN A 65 8.643 5.555 -7.516 1.00 0.00 C ATOM 1001 O GLN A 65 8.548 6.597 -6.867 1.00 0.00 O ATOM 1002 CB GLN A 65 6.777 4.246 -8.546 1.00 0.00 C ATOM 1003 CG GLN A 65 5.971 3.897 -9.787 1.00 0.00 C ATOM 1004 CD GLN A 65 5.005 4.997 -10.184 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.393 5.639 -9.330 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.863 5.219 -11.485 1.00 0.00 N ATOM 0 H GLN A 65 9.075 4.065 -9.864 1.00 0.00 H new ATOM 0 HA GLN A 65 7.303 6.276 -9.016 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.282 3.349 -8.187 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.095 4.565 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.652 3.701 -10.615 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.414 2.977 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.390 4.663 -12.158 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.226 5.946 -11.812 1.00 0.00 H new ATOM 1015 N ILE A 66 9.453 4.559 -7.172 1.00 0.00 N ATOM 1016 CA ILE A 66 10.297 4.636 -5.987 1.00 0.00 C ATOM 1017 C ILE A 66 11.771 4.496 -6.351 1.00 0.00 C ATOM 1018 O ILE A 66 12.134 3.713 -7.230 1.00 0.00 O ATOM 1019 CB ILE A 66 9.928 3.548 -4.961 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.435 3.611 -4.633 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.761 3.706 -3.698 1.00 0.00 C ATOM 1022 CD1 ILE A 66 7.960 2.471 -3.760 1.00 0.00 C ATOM 0 H ILE A 66 9.542 3.689 -7.698 1.00 0.00 H new ATOM 0 HA ILE A 66 10.127 5.616 -5.542 1.00 0.00 H new ATOM 0 HB ILE A 66 10.144 2.572 -5.395 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.221 4.555 -4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.866 3.607 -5.563 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.488 2.930 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.819 3.616 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.574 4.686 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.893 2.580 -3.568 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.142 1.524 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.502 2.486 -2.815 1.00 0.00 H new ATOM 1034 N LYS A 67 12.619 5.260 -5.670 1.00 0.00 N ATOM 1035 CA LYS A 67 14.055 5.220 -5.918 1.00 0.00 C ATOM 1036 C LYS A 67 14.732 4.180 -5.031 1.00 0.00 C ATOM 1037 O LYS A 67 15.519 3.362 -5.508 1.00 0.00 O ATOM 1038 CB LYS A 67 14.674 6.597 -5.671 1.00 0.00 C ATOM 1039 CG LYS A 67 16.190 6.608 -5.761 1.00 0.00 C ATOM 1040 CD LYS A 67 16.663 6.686 -7.204 1.00 0.00 C ATOM 1041 CE LYS A 67 18.150 6.389 -7.320 1.00 0.00 C ATOM 1042 NZ LYS A 67 18.599 6.354 -8.740 1.00 0.00 N ATOM 0 H LYS A 67 12.336 5.915 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 67 14.211 4.940 -6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.270 7.303 -6.397 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.375 6.949 -4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.582 7.458 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.590 5.708 -5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.101 5.976 -7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.457 7.680 -7.602 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.715 7.148 -6.779 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.367 5.432 -6.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.618 6.149 -8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.078 5.613 -9.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.415 7.276 -9.185 1.00 0.00 H new ATOM 1056 N SER A 68 14.419 4.216 -3.740 1.00 0.00 N ATOM 1057 CA SER A 68 14.999 3.277 -2.786 1.00 0.00 C ATOM 1058 C SER A 68 14.049 3.033 -1.618 1.00 0.00 C ATOM 1059 O SER A 68 13.228 3.886 -1.281 1.00 0.00 O ATOM 1060 CB SER A 68 16.338 3.807 -2.268 1.00 0.00 C ATOM 1061 OG SER A 68 16.802 3.035 -1.174 1.00 0.00 O ATOM 0 H SER A 68 13.767 4.885 -3.330 1.00 0.00 H new ATOM 0 HA SER A 68 15.165 2.330 -3.300 1.00 0.00 H new ATOM 0 HB2 SER A 68 17.076 3.787 -3.070 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.227 4.847 -1.962 1.00 0.00 H new ATOM 0 HG SER A 68 17.660 3.392 -0.862 1.00 0.00 H new ATOM 1067 N VAL A 69 14.167 1.860 -1.003 1.00 0.00 N ATOM 1068 CA VAL A 69 13.320 1.502 0.128 1.00 0.00 C ATOM 1069 C VAL A 69 13.408 2.549 1.233 1.00 0.00 C ATOM 1070 O VAL A 69 12.470 2.724 2.012 1.00 0.00 O ATOM 1071 CB VAL A 69 13.708 0.128 0.707 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.337 -0.983 -0.264 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.193 0.088 1.034 1.00 0.00 C ATOM 0 H VAL A 69 14.841 1.142 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 69 12.297 1.456 -0.245 1.00 0.00 H new ATOM 0 HB VAL A 69 13.152 -0.029 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.618 -1.947 0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 69 12.262 -0.965 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.865 -0.834 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.450 -0.890 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.770 0.265 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.425 0.860 1.768 1.00 0.00 H new ATOM 1083 N ASP A 70 14.539 3.243 1.295 1.00 0.00 N ATOM 1084 CA ASP A 70 14.749 4.274 2.304 1.00 0.00 C ATOM 1085 C ASP A 70 13.756 5.419 2.126 1.00 0.00 C ATOM 1086 O ASP A 70 13.338 6.049 3.097 1.00 0.00 O ATOM 1087 CB ASP A 70 16.180 4.808 2.229 1.00 0.00 C ATOM 1088 CG ASP A 70 16.393 6.021 3.112 1.00 0.00 C ATOM 1089 OD1 ASP A 70 15.631 6.186 4.087 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.322 6.807 2.827 1.00 0.00 O ATOM 0 H ASP A 70 15.325 3.110 0.658 1.00 0.00 H new ATOM 0 HA ASP A 70 14.588 3.826 3.284 1.00 0.00 H new ATOM 0 HB2 ASP A 70 16.874 4.021 2.524 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.414 5.068 1.197 1.00 0.00 H new ATOM 1095 N ASP A 71 13.384 5.683 0.878 1.00 0.00 N ATOM 1096 CA ASP A 71 12.440 6.752 0.572 1.00 0.00 C ATOM 1097 C ASP A 71 11.039 6.396 1.059 1.00 0.00 C ATOM 1098 O ASP A 71 10.176 7.265 1.188 1.00 0.00 O ATOM 1099 CB ASP A 71 12.416 7.024 -0.933 1.00 0.00 C ATOM 1100 CG ASP A 71 11.468 6.102 -1.673 1.00 0.00 C ATOM 1101 OD1 ASP A 71 11.127 5.035 -1.121 1.00 0.00 O ATOM 1102 OD2 ASP A 71 11.067 6.446 -2.805 1.00 0.00 O ATOM 0 H ASP A 71 13.721 5.172 0.062 1.00 0.00 H new ATOM 0 HA ASP A 71 12.768 7.652 1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.122 8.059 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.422 6.906 -1.337 1.00 0.00 H new ATOM 1107 N VAL A 72 10.820 5.113 1.329 1.00 0.00 N ATOM 1108 CA VAL A 72 9.524 4.642 1.802 1.00 0.00 C ATOM 1109 C VAL A 72 9.448 4.680 3.325 1.00 0.00 C ATOM 1110 O VAL A 72 10.351 4.205 4.012 1.00 0.00 O ATOM 1111 CB VAL A 72 9.238 3.208 1.320 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.815 2.800 1.673 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.479 3.091 -0.177 1.00 0.00 C ATOM 0 H VAL A 72 11.523 4.381 1.228 1.00 0.00 H new ATOM 0 HA VAL A 72 8.772 5.313 1.387 1.00 0.00 H new ATOM 0 HB VAL A 72 9.922 2.529 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.631 1.784 1.325 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.682 2.843 2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.112 3.481 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.272 2.071 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.821 3.780 -0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.517 3.338 -0.399 1.00 0.00 H new ATOM 1123 N GLU A 73 8.364 5.248 3.844 1.00 0.00 N ATOM 1124 CA GLU A 73 8.171 5.347 5.286 1.00 0.00 C ATOM 1125 C GLU A 73 7.334 4.182 5.804 1.00 0.00 C ATOM 1126 O GLU A 73 6.521 3.614 5.076 1.00 0.00 O ATOM 1127 CB GLU A 73 7.495 6.673 5.642 1.00 0.00 C ATOM 1128 CG GLU A 73 7.325 6.887 7.136 1.00 0.00 C ATOM 1129 CD GLU A 73 8.596 7.375 7.804 1.00 0.00 C ATOM 1130 OE1 GLU A 73 8.853 8.597 7.772 1.00 0.00 O ATOM 1131 OE2 GLU A 73 9.334 6.534 8.359 1.00 0.00 O ATOM 0 H GLU A 73 7.607 5.646 3.288 1.00 0.00 H new ATOM 0 HA GLU A 73 9.151 5.307 5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.083 7.493 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.516 6.712 5.164 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.528 7.611 7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.011 5.952 7.600 1.00 0.00 H new ATOM 1138 N GLY A 74 7.540 3.829 7.070 1.00 0.00 N ATOM 1139 CA GLY A 74 6.798 2.733 7.665 1.00 0.00 C ATOM 1140 C GLY A 74 6.987 1.430 6.914 1.00 0.00 C ATOM 1141 O GLY A 74 6.176 0.512 7.037 1.00 0.00 O ATOM 0 H GLY A 74 8.208 4.283 7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.116 2.602 8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.738 2.986 7.687 1.00 0.00 H new ATOM 1145 N ILE A 75 8.059 1.349 6.133 1.00 0.00 N ATOM 1146 CA ILE A 75 8.351 0.149 5.359 1.00 0.00 C ATOM 1147 C ILE A 75 8.830 -0.983 6.260 1.00 0.00 C ATOM 1148 O ILE A 75 8.723 -2.158 5.908 1.00 0.00 O ATOM 1149 CB ILE A 75 9.418 0.420 4.282 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.516 -0.767 3.321 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.766 0.697 4.930 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.370 -0.490 2.104 1.00 0.00 C ATOM 0 H ILE A 75 8.740 2.100 6.020 1.00 0.00 H new ATOM 0 HA ILE A 75 7.422 -0.146 4.872 1.00 0.00 H new ATOM 0 HB ILE A 75 9.123 1.301 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.926 -1.624 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.513 -1.045 2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.510 0.887 4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.686 1.570 5.578 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.070 -0.167 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.394 -1.375 1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.949 0.346 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.383 -0.242 2.419 1.00 0.00 H new ATOM 1164 N GLU A 76 9.357 -0.622 7.426 1.00 0.00 N ATOM 1165 CA GLU A 76 9.852 -1.609 8.379 1.00 0.00 C ATOM 1166 C GLU A 76 8.701 -2.235 9.160 1.00 0.00 C ATOM 1167 O GLU A 76 8.874 -3.251 9.834 1.00 0.00 O ATOM 1168 CB GLU A 76 10.848 -0.964 9.345 1.00 0.00 C ATOM 1169 CG GLU A 76 10.270 0.209 10.120 1.00 0.00 C ATOM 1170 CD GLU A 76 11.016 0.476 11.414 1.00 0.00 C ATOM 1171 OE1 GLU A 76 12.126 1.044 11.352 1.00 0.00 O ATOM 1172 OE2 GLU A 76 10.488 0.117 12.487 1.00 0.00 O ATOM 0 H GLU A 76 9.452 0.346 7.733 1.00 0.00 H new ATOM 0 HA GLU A 76 10.358 -2.395 7.819 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.198 -1.718 10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.718 -0.624 8.784 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.300 1.102 9.496 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.222 0.011 10.343 1.00 0.00 H new ATOM 1179 N SER A 77 7.526 -1.622 9.065 1.00 0.00 N ATOM 1180 CA SER A 77 6.346 -2.116 9.767 1.00 0.00 C ATOM 1181 C SER A 77 5.624 -3.173 8.937 1.00 0.00 C ATOM 1182 O SER A 77 4.840 -3.963 9.463 1.00 0.00 O ATOM 1183 CB SER A 77 5.394 -0.961 10.083 1.00 0.00 C ATOM 1184 OG SER A 77 4.249 -1.420 10.780 1.00 0.00 O ATOM 0 H SER A 77 7.365 -0.782 8.509 1.00 0.00 H new ATOM 0 HA SER A 77 6.673 -2.573 10.701 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.912 -0.212 10.682 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.089 -0.473 9.157 1.00 0.00 H new ATOM 0 HG SER A 77 3.657 -0.663 10.971 1.00 0.00 H new ATOM 1190 N LEU A 78 5.893 -3.180 7.636 1.00 0.00 N ATOM 1191 CA LEU A 78 5.269 -4.139 6.731 1.00 0.00 C ATOM 1192 C LEU A 78 5.845 -5.536 6.937 1.00 0.00 C ATOM 1193 O LEU A 78 6.901 -5.699 7.549 1.00 0.00 O ATOM 1194 CB LEU A 78 5.468 -3.703 5.278 1.00 0.00 C ATOM 1195 CG LEU A 78 5.333 -2.205 5.003 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.672 -1.896 3.552 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.929 -1.725 5.338 1.00 0.00 C ATOM 0 H LEU A 78 6.539 -2.533 7.184 1.00 0.00 H new ATOM 0 HA LEU A 78 4.202 -4.169 6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.459 -4.023 4.956 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.744 -4.233 4.658 1.00 0.00 H new ATOM 0 HG LEU A 78 6.039 -1.673 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.570 -0.825 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.697 -2.202 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.991 -2.439 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.852 -0.657 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.205 -2.263 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.723 -1.911 6.392 1.00 0.00 H new ATOM 1209 N ARG A 79 5.145 -6.541 6.421 1.00 0.00 N ATOM 1210 CA ARG A 79 5.587 -7.925 6.548 1.00 0.00 C ATOM 1211 C ARG A 79 6.785 -8.198 5.643 1.00 0.00 C ATOM 1212 O ARG A 79 6.912 -7.608 4.570 1.00 0.00 O ATOM 1213 CB ARG A 79 4.444 -8.881 6.202 1.00 0.00 C ATOM 1214 CG ARG A 79 3.557 -9.224 7.388 1.00 0.00 C ATOM 1215 CD ARG A 79 2.559 -10.317 7.040 1.00 0.00 C ATOM 1216 NE ARG A 79 3.092 -11.650 7.307 1.00 0.00 N ATOM 1217 CZ ARG A 79 2.337 -12.740 7.396 1.00 0.00 C ATOM 1218 NH1 ARG A 79 1.023 -12.654 7.239 1.00 0.00 N ATOM 1219 NH2 ARG A 79 2.896 -13.918 7.642 1.00 0.00 N ATOM 0 H ARG A 79 4.270 -6.423 5.911 1.00 0.00 H new ATOM 0 HA ARG A 79 5.890 -8.091 7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.832 -8.434 5.419 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.862 -9.801 5.794 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.176 -9.548 8.225 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.022 -8.332 7.714 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.645 -10.170 7.616 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.288 -10.239 5.987 1.00 0.00 H new ATOM 0 HE ARG A 79 4.099 -11.750 7.432 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.590 -11.750 7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.445 -13.492 7.308 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.906 -13.988 7.763 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.315 -14.754 7.710 1.00 0.00 H new ATOM 1233 N TRP A 80 7.659 -9.095 6.083 1.00 0.00 N ATOM 1234 CA TRP A 80 8.847 -9.446 5.313 1.00 0.00 C ATOM 1235 C TRP A 80 8.539 -9.476 3.820 1.00 0.00 C ATOM 1236 O TRP A 80 9.146 -8.747 3.037 1.00 0.00 O ATOM 1237 CB TRP A 80 9.388 -10.804 5.762 1.00 0.00 C ATOM 1238 CG TRP A 80 10.332 -11.423 4.776 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.553 -10.942 4.397 1.00 0.00 C ATOM 1240 CD2 TRP A 80 10.132 -12.636 4.042 1.00 0.00 C ATOM 1241 NE1 TRP A 80 12.123 -11.783 3.472 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.272 -12.830 3.238 1.00 0.00 C ATOM 1243 CE3 TRP A 80 9.101 -13.579 3.988 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.407 -13.927 2.391 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 9.237 -14.666 3.147 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.383 -14.834 2.358 1.00 0.00 C ATOM 0 H TRP A 80 7.568 -9.593 6.969 1.00 0.00 H new ATOM 0 HA TRP A 80 9.605 -8.683 5.493 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.898 -10.686 6.718 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.552 -11.483 5.929 1.00 0.00 H new ATOM 0 HD1 TRP A 80 12.004 -10.034 4.770 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.033 -11.649 3.031 1.00 0.00 H new ATOM 0 HE3 TRP A 80 8.214 -13.459 4.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.289 -14.057 1.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.446 -15.400 3.096 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.459 -15.696 1.712 1.00 0.00 H new ATOM 1257 N GLU A 81 7.591 -10.324 3.433 1.00 0.00 N ATOM 1258 CA GLU A 81 7.203 -10.448 2.032 1.00 0.00 C ATOM 1259 C GLU A 81 6.965 -9.075 1.410 1.00 0.00 C ATOM 1260 O GLU A 81 7.390 -8.810 0.286 1.00 0.00 O ATOM 1261 CB GLU A 81 5.942 -11.305 1.903 1.00 0.00 C ATOM 1262 CG GLU A 81 4.658 -10.542 2.184 1.00 0.00 C ATOM 1263 CD GLU A 81 3.417 -11.376 1.928 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.032 -11.522 0.749 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.831 -11.883 2.908 1.00 0.00 O ATOM 0 H GLU A 81 7.078 -10.935 4.069 1.00 0.00 H new ATOM 0 HA GLU A 81 8.019 -10.933 1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.896 -11.720 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.013 -12.147 2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.658 -10.207 3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.626 -9.649 1.560 1.00 0.00 H new ATOM 1272 N ASP A 82 6.283 -8.208 2.149 1.00 0.00 N ATOM 1273 CA ASP A 82 5.989 -6.862 1.672 1.00 0.00 C ATOM 1274 C ASP A 82 7.271 -6.052 1.502 1.00 0.00 C ATOM 1275 O ASP A 82 7.544 -5.524 0.425 1.00 0.00 O ATOM 1276 CB ASP A 82 5.045 -6.149 2.641 1.00 0.00 C ATOM 1277 CG ASP A 82 3.753 -6.911 2.857 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.812 -8.150 3.005 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.682 -6.269 2.880 1.00 0.00 O ATOM 0 H ASP A 82 5.923 -8.413 3.081 1.00 0.00 H new ATOM 0 HA ASP A 82 5.503 -6.947 0.700 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.547 -6.013 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.817 -5.155 2.256 1.00 0.00 H new ATOM 1284 N GLN A 83 8.052 -5.960 2.574 1.00 0.00 N ATOM 1285 CA GLN A 83 9.304 -5.213 2.543 1.00 0.00 C ATOM 1286 C GLN A 83 10.178 -5.664 1.378 1.00 0.00 C ATOM 1287 O GLN A 83 10.919 -4.867 0.802 1.00 0.00 O ATOM 1288 CB GLN A 83 10.059 -5.389 3.861 1.00 0.00 C ATOM 1289 CG GLN A 83 9.265 -4.951 5.081 1.00 0.00 C ATOM 1290 CD GLN A 83 10.150 -4.626 6.268 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.120 -3.877 6.148 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.821 -5.189 7.425 1.00 0.00 N ATOM 0 H GLN A 83 7.840 -6.393 3.473 1.00 0.00 H new ATOM 0 HA GLN A 83 9.066 -4.158 2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.335 -6.437 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.987 -4.818 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.669 -4.075 4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.567 -5.741 5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 83 9.009 -5.804 7.480 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.380 -5.007 8.258 1.00 0.00 H new ATOM 1301 N GLN A 84 10.087 -6.945 1.037 1.00 0.00 N ATOM 1302 CA GLN A 84 10.871 -7.501 -0.059 1.00 0.00 C ATOM 1303 C GLN A 84 10.438 -6.907 -1.395 1.00 0.00 C ATOM 1304 O GLN A 84 11.271 -6.574 -2.238 1.00 0.00 O ATOM 1305 CB GLN A 84 10.729 -9.024 -0.095 1.00 0.00 C ATOM 1306 CG GLN A 84 11.215 -9.710 1.172 1.00 0.00 C ATOM 1307 CD GLN A 84 12.683 -10.083 1.108 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.502 -9.560 1.863 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.023 -10.994 0.203 1.00 0.00 N ATOM 0 H GLN A 84 9.478 -7.617 1.504 1.00 0.00 H new ATOM 0 HA GLN A 84 11.917 -7.244 0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.682 -9.279 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.288 -9.413 -0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.048 -9.051 2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.623 -10.609 1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.311 -11.402 -0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.996 -11.286 0.114 1.00 0.00 H new ATOM 1318 N LYS A 85 9.129 -6.777 -1.582 1.00 0.00 N ATOM 1319 CA LYS A 85 8.583 -6.223 -2.815 1.00 0.00 C ATOM 1320 C LYS A 85 9.165 -4.841 -3.094 1.00 0.00 C ATOM 1321 O LYS A 85 9.295 -4.434 -4.249 1.00 0.00 O ATOM 1322 CB LYS A 85 7.057 -6.137 -2.729 1.00 0.00 C ATOM 1323 CG LYS A 85 6.382 -7.485 -2.544 1.00 0.00 C ATOM 1324 CD LYS A 85 4.883 -7.336 -2.350 1.00 0.00 C ATOM 1325 CE LYS A 85 4.313 -8.472 -1.514 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.857 -8.294 -1.255 1.00 0.00 N ATOM 0 H LYS A 85 8.426 -7.048 -0.894 1.00 0.00 H new ATOM 0 HA LYS A 85 8.857 -6.887 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.784 -5.486 -1.898 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.676 -5.671 -3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.577 -8.113 -3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.813 -7.993 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.671 -6.384 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.390 -7.315 -3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.477 -9.419 -2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.846 -8.528 -0.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.507 -9.088 -0.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.702 -7.403 -0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.344 -8.266 -2.159 1.00 0.00 H new ATOM 1340 N ILE A 86 9.514 -4.125 -2.031 1.00 0.00 N ATOM 1341 CA ILE A 86 10.084 -2.790 -2.163 1.00 0.00 C ATOM 1342 C ILE A 86 11.528 -2.855 -2.650 1.00 0.00 C ATOM 1343 O ILE A 86 11.834 -2.448 -3.771 1.00 0.00 O ATOM 1344 CB ILE A 86 10.038 -2.024 -0.827 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.651 -2.141 -0.194 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.407 -0.563 -1.042 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.537 -1.630 -1.080 1.00 0.00 C ATOM 0 H ILE A 86 9.412 -4.447 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 86 9.479 -2.259 -2.898 1.00 0.00 H new ATOM 0 HB ILE A 86 10.765 -2.466 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.459 -3.186 0.051 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.641 -1.587 0.745 1.00 0.00 H new ATOM 0 HG21 ILE A 86 10.370 -0.034 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.414 -0.499 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.701 -0.108 -1.737 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.582 -1.744 -0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.705 -0.577 -1.304 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.520 -2.200 -2.009 1.00 0.00 H new ATOM 1359 N ARG A 87 12.410 -3.370 -1.801 1.00 0.00 N ATOM 1360 CA ARG A 87 13.822 -3.489 -2.145 1.00 0.00 C ATOM 1361 C ARG A 87 13.999 -4.239 -3.462 1.00 0.00 C ATOM 1362 O ARG A 87 14.841 -3.879 -4.285 1.00 0.00 O ATOM 1363 CB ARG A 87 14.582 -4.209 -1.029 1.00 0.00 C ATOM 1364 CG ARG A 87 13.902 -5.482 -0.552 1.00 0.00 C ATOM 1365 CD ARG A 87 14.142 -5.720 0.930 1.00 0.00 C ATOM 1366 NE ARG A 87 15.306 -6.568 1.167 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.749 -6.887 2.378 1.00 0.00 C ATOM 1368 NH1 ARG A 87 15.128 -6.431 3.457 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.816 -7.665 2.512 1.00 0.00 N ATOM 0 H ARG A 87 12.172 -3.712 -0.870 1.00 0.00 H new ATOM 0 HA ARG A 87 14.228 -2.484 -2.262 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.584 -4.453 -1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.698 -3.531 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.831 -5.417 -0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.276 -6.332 -1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.282 -4.763 1.433 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.260 -6.185 1.370 1.00 0.00 H new ATOM 0 HE ARG A 87 15.807 -6.936 0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.307 -5.833 3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.471 -6.678 4.385 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.297 -8.018 1.685 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.155 -7.909 3.442 1.00 0.00 H new ATOM 1383 N LYS A 88 13.201 -5.284 -3.654 1.00 0.00 N ATOM 1384 CA LYS A 88 13.268 -6.085 -4.870 1.00 0.00 C ATOM 1385 C LYS A 88 12.674 -5.328 -6.054 1.00 0.00 C ATOM 1386 O LYS A 88 12.591 -5.856 -7.162 1.00 0.00 O ATOM 1387 CB LYS A 88 12.527 -7.409 -4.674 1.00 0.00 C ATOM 1388 CG LYS A 88 12.957 -8.169 -3.432 1.00 0.00 C ATOM 1389 CD LYS A 88 14.102 -9.123 -3.730 1.00 0.00 C ATOM 1390 CE LYS A 88 14.251 -10.173 -2.640 1.00 0.00 C ATOM 1391 NZ LYS A 88 15.522 -10.938 -2.777 1.00 0.00 N ATOM 0 H LYS A 88 12.500 -5.596 -2.982 1.00 0.00 H new ATOM 0 HA LYS A 88 14.317 -6.291 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.457 -7.211 -4.616 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.688 -8.039 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.262 -7.463 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.110 -8.729 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.928 -9.614 -4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.031 -8.560 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.221 -9.690 -1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 88 13.407 -10.861 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.586 -11.644 -2.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.539 -11.420 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.329 -10.285 -2.713 1.00 0.00 H new ATOM 1405 N TYR A 89 12.264 -4.088 -5.811 1.00 0.00 N ATOM 1406 CA TYR A 89 11.677 -3.259 -6.857 1.00 0.00 C ATOM 1407 C TYR A 89 12.566 -2.057 -7.163 1.00 0.00 C ATOM 1408 O TYR A 89 12.732 -1.671 -8.320 1.00 0.00 O ATOM 1409 CB TYR A 89 10.285 -2.784 -6.439 1.00 0.00 C ATOM 1410 CG TYR A 89 9.769 -1.623 -7.259 1.00 0.00 C ATOM 1411 CD1 TYR A 89 10.060 -0.312 -6.904 1.00 0.00 C ATOM 1412 CD2 TYR A 89 8.992 -1.837 -8.391 1.00 0.00 C ATOM 1413 CE1 TYR A 89 9.591 0.752 -7.650 1.00 0.00 C ATOM 1414 CE2 TYR A 89 8.520 -0.780 -9.144 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.821 0.513 -8.769 1.00 0.00 C ATOM 1416 OH TYR A 89 8.353 1.569 -9.516 1.00 0.00 O ATOM 0 H TYR A 89 12.327 -3.635 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 89 11.592 -3.864 -7.760 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.586 -3.616 -6.523 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.310 -2.493 -5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 89 10.664 -0.121 -6.029 1.00 0.00 H new ATOM 0 HD2 TYR A 89 8.753 -2.848 -8.687 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.826 1.765 -7.359 1.00 0.00 H new ATOM 0 HE2 TYR A 89 7.918 -0.965 -10.022 1.00 0.00 H new ATOM 0 HH TYR A 89 7.869 1.228 -10.297 1.00 0.00 H new ATOM 1426 N VAL A 90 13.137 -1.470 -6.116 1.00 0.00 N ATOM 1427 CA VAL A 90 14.012 -0.313 -6.270 1.00 0.00 C ATOM 1428 C VAL A 90 15.397 -0.732 -6.750 1.00 0.00 C ATOM 1429 O VAL A 90 16.038 -0.020 -7.522 1.00 0.00 O ATOM 1430 CB VAL A 90 14.151 0.465 -4.948 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.891 1.269 -4.666 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.456 -0.485 -3.801 1.00 0.00 C ATOM 0 H VAL A 90 13.009 -1.777 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 90 13.553 0.335 -7.017 1.00 0.00 H new ATOM 0 HB VAL A 90 14.983 1.162 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.008 1.812 -3.728 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.723 1.978 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.038 0.594 -4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.551 0.082 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.647 -1.208 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.390 -1.010 -4.002 1.00 0.00 H new ATOM 1442 N GLU A 91 15.852 -1.892 -6.287 1.00 0.00 N ATOM 1443 CA GLU A 91 17.163 -2.404 -6.669 1.00 0.00 C ATOM 1444 C GLU A 91 17.161 -2.874 -8.121 1.00 0.00 C ATOM 1445 O GLU A 91 18.035 -2.505 -8.905 1.00 0.00 O ATOM 1446 CB GLU A 91 17.572 -3.556 -5.749 1.00 0.00 C ATOM 1447 CG GLU A 91 17.763 -3.140 -4.300 1.00 0.00 C ATOM 1448 CD GLU A 91 19.135 -2.551 -4.038 1.00 0.00 C ATOM 1449 OE1 GLU A 91 20.123 -3.314 -4.060 1.00 0.00 O ATOM 1450 OE2 GLU A 91 19.220 -1.325 -3.811 1.00 0.00 O ATOM 0 H GLU A 91 15.333 -2.494 -5.648 1.00 0.00 H new ATOM 0 HA GLU A 91 17.885 -1.594 -6.568 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.812 -4.336 -5.797 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.500 -3.993 -6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.001 -2.408 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.614 -4.006 -3.655 1.00 0.00 H new