USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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 40 GLN : amide:sc= 0.284 K(o=1.7,f=-0.43) USER MOD Set 1.2: A 74 SER OG : rot -124:sc= 1.45 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0421 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0229 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0495 X(o=-0.05,f=-0.05) USER MOD Single : A 26 GLN : amide:sc= 0.792 K(o=0.79,f=-0.9) USER MOD Single : A 28 ASN : amide:sc= 0.0569 K(o=0.057,f=-8.9!) USER MOD Single : A 35 THR OG1 : rot 81:sc= 1.17 USER MOD Single : A 39 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 46 LYS NZ :NH3+ -179:sc= 0.948 (180deg=0.948) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.195 K(o=-0.19,f=-0.77) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 163:sc= 1.45 USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.22) USER MOD ----------------------------------------------------------------- ATOM 103 N LEU A 8 16.441 2.579 4.947 1.00 0.00 N ATOM 104 CA LEU A 8 16.754 2.745 6.361 1.00 0.00 C ATOM 105 C LEU A 8 18.239 3.011 6.568 1.00 0.00 C ATOM 106 O LEU A 8 19.080 2.168 6.257 1.00 0.00 O ATOM 107 CB LEU A 8 16.337 1.495 7.147 1.00 0.00 C ATOM 108 CG LEU A 8 14.863 1.434 7.565 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.983 1.385 6.323 1.00 0.00 C ATOM 110 CD2 LEU A 8 14.635 0.213 8.445 1.00 0.00 C ATOM 0 HA LEU A 8 16.196 3.606 6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.561 0.616 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 8 16.953 1.430 8.044 1.00 0.00 H new ATOM 0 HG LEU A 8 14.601 2.324 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.935 1.342 6.621 1.00 0.00 H new ATOM 0 HD12 LEU A 8 14.153 2.278 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.230 0.500 5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 8 13.587 0.169 8.742 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.892 -0.689 7.890 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.262 0.283 9.334 1.00 0.00 H new ATOM 122 N LEU A 9 18.556 4.189 7.096 1.00 0.00 N ATOM 123 CA LEU A 9 19.943 4.584 7.310 1.00 0.00 C ATOM 124 C LEU A 9 20.284 4.618 8.794 1.00 0.00 C ATOM 125 O LEU A 9 19.459 5.005 9.622 1.00 0.00 O ATOM 126 CB LEU A 9 20.203 5.962 6.688 1.00 0.00 C ATOM 127 CG LEU A 9 19.914 6.079 5.186 1.00 0.00 C ATOM 128 CD1 LEU A 9 20.133 7.517 4.737 1.00 0.00 C ATOM 129 CD2 LEU A 9 20.816 5.123 4.419 1.00 0.00 C ATOM 0 H LEU A 9 17.870 4.887 7.384 1.00 0.00 H new ATOM 0 HA LEU A 9 20.580 3.842 6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 9 19.596 6.698 7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 9 21.246 6.227 6.860 1.00 0.00 H new ATOM 0 HG LEU A 9 18.877 5.810 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 9 19.928 7.600 3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 9 19.462 8.176 5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 9 21.166 7.806 4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 9 20.611 5.206 3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 9 21.859 5.376 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 9 20.625 4.101 4.747 1.00 0.00 H new ATOM 141 N TYR A 10 21.504 4.209 9.125 1.00 0.00 N ATOM 142 CA TYR A 10 21.966 4.218 10.508 1.00 0.00 C ATOM 143 C TYR A 10 23.310 4.925 10.636 1.00 0.00 C ATOM 144 O TYR A 10 24.357 4.281 10.704 1.00 0.00 O ATOM 145 CB TYR A 10 22.065 2.789 11.048 1.00 0.00 C ATOM 146 CG TYR A 10 20.757 2.030 11.009 1.00 0.00 C ATOM 147 CD1 TYR A 10 20.474 1.190 9.942 1.00 0.00 C ATOM 148 CD2 TYR A 10 19.841 2.174 12.040 1.00 0.00 C ATOM 149 CE1 TYR A 10 19.280 0.497 9.907 1.00 0.00 C ATOM 150 CE2 TYR A 10 18.647 1.481 12.005 1.00 0.00 C ATOM 151 CZ TYR A 10 18.366 0.645 10.943 1.00 0.00 C ATOM 152 OH TYR A 10 17.176 -0.046 10.908 1.00 0.00 O ATOM 0 H TYR A 10 22.191 3.867 8.454 1.00 0.00 H new ATOM 0 HA TYR A 10 21.236 4.769 11.101 1.00 0.00 H new ATOM 0 HB2 TYR A 10 22.809 2.242 10.469 1.00 0.00 H new ATOM 0 HB3 TYR A 10 22.424 2.823 12.077 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.187 1.078 9.139 1.00 0.00 H new ATOM 0 HD2 TYR A 10 20.061 2.828 12.871 1.00 0.00 H new ATOM 0 HE1 TYR A 10 19.057 -0.158 9.077 1.00 0.00 H new ATOM 0 HE2 TYR A 10 17.934 1.593 12.808 1.00 0.00 H new ATOM 0 HH TYR A 10 16.650 0.167 11.707 1.00 0.00 H new ATOM 162 N ARG A 11 23.273 6.252 10.667 1.00 0.00 N ATOM 163 CA ARG A 11 24.491 7.053 10.652 1.00 0.00 C ATOM 164 C ARG A 11 25.056 7.223 12.056 1.00 0.00 C ATOM 165 O ARG A 11 24.495 7.947 12.878 1.00 0.00 O ATOM 166 CB ARG A 11 24.224 8.423 10.046 1.00 0.00 C ATOM 167 CG ARG A 11 25.447 9.320 9.928 1.00 0.00 C ATOM 168 CD ARG A 11 25.112 10.625 9.303 1.00 0.00 C ATOM 169 NE ARG A 11 26.253 11.526 9.286 1.00 0.00 N ATOM 170 CZ ARG A 11 27.168 11.585 8.300 1.00 0.00 C ATOM 171 NH1 ARG A 11 27.064 10.789 7.258 1.00 0.00 N ATOM 172 NH2 ARG A 11 28.171 12.441 8.378 1.00 0.00 N ATOM 0 H ARG A 11 22.411 6.797 10.703 1.00 0.00 H new ATOM 0 HA ARG A 11 25.223 6.524 10.041 1.00 0.00 H new ATOM 0 HB2 ARG A 11 23.793 8.288 9.054 1.00 0.00 H new ATOM 0 HB3 ARG A 11 23.475 8.933 10.652 1.00 0.00 H new ATOM 0 HG2 ARG A 11 25.872 9.489 10.918 1.00 0.00 H new ATOM 0 HG3 ARG A 11 26.211 8.818 9.335 1.00 0.00 H new ATOM 0 HD2 ARG A 11 24.764 10.461 8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 11 24.291 11.089 9.849 1.00 0.00 H new ATOM 0 HE ARG A 11 26.369 12.159 10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 11 26.290 10.127 7.197 1.00 0.00 H new ATOM 0 HH12 ARG A 11 27.757 10.834 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 11 28.253 13.058 9.186 1.00 0.00 H new ATOM 0 HH22 ARG A 11 28.864 12.485 7.630 1.00 0.00 H new ATOM 186 N GLU A 12 26.171 6.552 12.325 1.00 0.00 N ATOM 187 CA GLU A 12 26.816 6.630 13.630 1.00 0.00 C ATOM 188 C GLU A 12 27.907 7.693 13.642 1.00 0.00 C ATOM 189 O GLU A 12 28.852 7.636 12.854 1.00 0.00 O ATOM 190 CB GLU A 12 27.409 5.272 14.015 1.00 0.00 C ATOM 191 CG GLU A 12 26.377 4.173 14.223 1.00 0.00 C ATOM 192 CD GLU A 12 26.998 2.842 14.545 1.00 0.00 C ATOM 193 OE1 GLU A 12 28.202 2.747 14.519 1.00 0.00 O ATOM 194 OE2 GLU A 12 26.268 1.919 14.818 1.00 0.00 O ATOM 0 H GLU A 12 26.647 5.947 11.655 1.00 0.00 H new ATOM 0 HA GLU A 12 26.057 6.909 14.360 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.104 4.959 13.236 1.00 0.00 H new ATOM 0 HB3 GLU A 12 27.988 5.388 14.931 1.00 0.00 H new ATOM 0 HG2 GLU A 12 25.705 4.460 15.032 1.00 0.00 H new ATOM 0 HG3 GLU A 12 25.769 4.077 13.323 1.00 0.00 H new ATOM 201 N GLU A 13 27.772 8.662 14.541 1.00 0.00 N ATOM 202 CA GLU A 13 28.752 9.735 14.664 1.00 0.00 C ATOM 203 C GLU A 13 29.395 9.738 16.045 1.00 0.00 C ATOM 204 O GLU A 13 28.722 9.528 17.054 1.00 0.00 O ATOM 205 CB GLU A 13 28.096 11.090 14.393 1.00 0.00 C ATOM 206 CG GLU A 13 27.569 11.262 12.975 1.00 0.00 C ATOM 207 CD GLU A 13 26.975 12.621 12.732 1.00 0.00 C ATOM 208 OE1 GLU A 13 26.844 13.368 13.672 1.00 0.00 O ATOM 209 OE2 GLU A 13 26.651 12.913 11.605 1.00 0.00 O ATOM 0 H GLU A 13 26.993 8.726 15.196 1.00 0.00 H new ATOM 0 HA GLU A 13 29.532 9.560 13.923 1.00 0.00 H new ATOM 0 HB2 GLU A 13 27.272 11.227 15.093 1.00 0.00 H new ATOM 0 HB3 GLU A 13 28.821 11.878 14.596 1.00 0.00 H new ATOM 0 HG2 GLU A 13 28.382 11.095 12.268 1.00 0.00 H new ATOM 0 HG3 GLU A 13 26.814 10.501 12.779 1.00 0.00 H new ATOM 216 N THR A 14 30.701 9.977 16.084 1.00 0.00 N ATOM 217 CA THR A 14 31.441 9.992 17.340 1.00 0.00 C ATOM 218 C THR A 14 31.608 11.413 17.864 1.00 0.00 C ATOM 219 O THR A 14 32.218 12.258 17.209 1.00 0.00 O ATOM 220 CB THR A 14 32.824 9.334 17.177 1.00 0.00 C ATOM 221 OG1 THR A 14 32.662 7.971 16.764 1.00 0.00 O ATOM 222 CG2 THR A 14 33.591 9.374 18.490 1.00 0.00 C ATOM 0 H THR A 14 31.270 10.163 15.258 1.00 0.00 H new ATOM 0 HA THR A 14 30.861 9.418 18.063 1.00 0.00 H new ATOM 0 HB THR A 14 33.385 9.885 16.423 1.00 0.00 H new ATOM 0 HG1 THR A 14 33.543 7.554 16.659 1.00 0.00 H new ATOM 0 HG21 THR A 14 34.566 8.905 18.356 1.00 0.00 H new ATOM 0 HG22 THR A 14 33.726 10.410 18.801 1.00 0.00 H new ATOM 0 HG23 THR A 14 33.031 8.836 19.255 1.00 0.00 H new ATOM 230 N ILE A 15 31.064 11.669 19.048 1.00 0.00 N ATOM 231 CA ILE A 15 31.202 12.971 19.689 1.00 0.00 C ATOM 232 C ILE A 15 32.321 12.961 20.723 1.00 0.00 C ATOM 233 O ILE A 15 32.371 12.087 21.589 1.00 0.00 O ATOM 234 CB ILE A 15 29.884 13.394 20.363 1.00 0.00 C ATOM 235 CG1 ILE A 15 28.763 13.498 19.325 1.00 0.00 C ATOM 236 CG2 ILE A 15 30.060 14.716 21.094 1.00 0.00 C ATOM 237 CD1 ILE A 15 27.383 13.631 19.928 1.00 0.00 C ATOM 0 H ILE A 15 30.522 10.991 19.584 1.00 0.00 H new ATOM 0 HA ILE A 15 31.451 13.691 18.909 1.00 0.00 H new ATOM 0 HB ILE A 15 29.608 12.633 21.093 1.00 0.00 H new ATOM 0 HG12 ILE A 15 28.953 14.358 18.683 1.00 0.00 H new ATOM 0 HG13 ILE A 15 28.787 12.614 18.688 1.00 0.00 H new ATOM 0 HG21 ILE A 15 29.119 15.000 21.564 1.00 0.00 H new ATOM 0 HG22 ILE A 15 30.830 14.610 21.858 1.00 0.00 H new ATOM 0 HG23 ILE A 15 30.358 15.488 20.384 1.00 0.00 H new ATOM 0 HD11 ILE A 15 26.643 13.699 19.131 1.00 0.00 H new ATOM 0 HD12 ILE A 15 27.171 12.759 20.547 1.00 0.00 H new ATOM 0 HD13 ILE A 15 27.339 14.531 20.542 1.00 0.00 H new ATOM 249 N GLU A 16 33.217 13.937 20.627 1.00 0.00 N ATOM 250 CA GLU A 16 34.327 14.052 21.565 1.00 0.00 C ATOM 251 C GLU A 16 34.415 15.458 22.145 1.00 0.00 C ATOM 252 O GLU A 16 34.949 16.369 21.512 1.00 0.00 O ATOM 253 CB GLU A 16 35.646 13.690 20.878 1.00 0.00 C ATOM 254 CG GLU A 16 35.759 12.230 20.463 1.00 0.00 C ATOM 255 CD GLU A 16 37.097 11.893 19.868 1.00 0.00 C ATOM 256 OE1 GLU A 16 37.729 12.774 19.337 1.00 0.00 O ATOM 257 OE2 GLU A 16 37.488 10.752 19.943 1.00 0.00 O ATOM 0 H GLU A 16 33.196 14.660 19.908 1.00 0.00 H new ATOM 0 HA GLU A 16 34.145 13.354 22.382 1.00 0.00 H new ATOM 0 HB2 GLU A 16 35.765 14.317 19.994 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.470 13.929 21.551 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.583 11.596 21.332 1.00 0.00 H new ATOM 0 HG3 GLU A 16 34.977 12.002 19.739 1.00 0.00 H new ATOM 264 N THR A 17 33.887 15.629 23.352 1.00 0.00 N ATOM 265 CA THR A 17 33.899 16.926 24.017 1.00 0.00 C ATOM 266 C THR A 17 35.138 17.088 24.888 1.00 0.00 C ATOM 267 O THR A 17 35.349 16.325 25.831 1.00 0.00 O ATOM 268 CB THR A 17 32.635 17.122 24.874 1.00 0.00 C ATOM 269 OG1 THR A 17 31.474 17.084 24.034 1.00 0.00 O ATOM 270 CG2 THR A 17 32.685 18.456 25.603 1.00 0.00 C ATOM 0 H THR A 17 33.445 14.884 23.890 1.00 0.00 H new ATOM 0 HA THR A 17 33.917 17.687 23.237 1.00 0.00 H new ATOM 0 HB THR A 17 32.586 16.319 25.610 1.00 0.00 H new ATOM 0 HG1 THR A 17 30.670 17.207 24.581 1.00 0.00 H new ATOM 0 HG21 THR A 17 31.783 18.577 26.203 1.00 0.00 H new ATOM 0 HG22 THR A 17 33.560 18.483 26.253 1.00 0.00 H new ATOM 0 HG23 THR A 17 32.748 19.266 24.876 1.00 0.00 H new ATOM 278 N LYS A 18 35.955 18.085 24.568 1.00 0.00 N ATOM 279 CA LYS A 18 37.226 18.284 25.253 1.00 0.00 C ATOM 280 C LYS A 18 37.014 18.601 26.727 1.00 0.00 C ATOM 281 O LYS A 18 36.149 19.403 27.082 1.00 0.00 O ATOM 282 CB LYS A 18 38.026 19.404 24.584 1.00 0.00 C ATOM 283 CG LYS A 18 38.521 19.073 23.182 1.00 0.00 C ATOM 284 CD LYS A 18 39.325 20.222 22.594 1.00 0.00 C ATOM 285 CE LYS A 18 39.805 19.900 21.187 1.00 0.00 C ATOM 286 NZ LYS A 18 40.558 21.033 20.583 1.00 0.00 N ATOM 0 H LYS A 18 35.759 18.769 23.837 1.00 0.00 H new ATOM 0 HA LYS A 18 37.791 17.355 25.182 1.00 0.00 H new ATOM 0 HB2 LYS A 18 37.405 20.298 24.535 1.00 0.00 H new ATOM 0 HB3 LYS A 18 38.884 19.646 25.211 1.00 0.00 H new ATOM 0 HG2 LYS A 18 39.137 18.174 23.214 1.00 0.00 H new ATOM 0 HG3 LYS A 18 37.671 18.853 22.536 1.00 0.00 H new ATOM 0 HD2 LYS A 18 38.713 21.124 22.574 1.00 0.00 H new ATOM 0 HD3 LYS A 18 40.182 20.433 23.233 1.00 0.00 H new ATOM 0 HE2 LYS A 18 40.441 19.015 21.214 1.00 0.00 H new ATOM 0 HE3 LYS A 18 38.948 19.657 20.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 40.867 20.773 19.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 39.944 21.871 20.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 41.390 21.248 21.169 1.00 0.00 H new ATOM 300 N ILE A 19 37.808 17.968 27.584 1.00 0.00 N ATOM 301 CA ILE A 19 37.688 18.158 29.024 1.00 0.00 C ATOM 302 C ILE A 19 38.852 18.973 29.572 1.00 0.00 C ATOM 303 O ILE A 19 40.015 18.619 29.378 1.00 0.00 O ATOM 304 CB ILE A 19 37.621 16.804 29.754 1.00 0.00 C ATOM 305 CG1 ILE A 19 36.509 15.933 29.162 1.00 0.00 C ATOM 306 CG2 ILE A 19 37.402 17.012 31.244 1.00 0.00 C ATOM 307 CD1 ILE A 19 35.131 16.546 29.270 1.00 0.00 C ATOM 0 H ILE A 19 38.543 17.318 27.305 1.00 0.00 H new ATOM 0 HA ILE A 19 36.762 18.705 29.202 1.00 0.00 H new ATOM 0 HB ILE A 19 38.572 16.289 29.617 1.00 0.00 H new ATOM 0 HG12 ILE A 19 36.730 15.742 28.112 1.00 0.00 H new ATOM 0 HG13 ILE A 19 36.508 14.968 29.668 1.00 0.00 H new ATOM 0 HG21 ILE A 19 37.357 16.044 31.744 1.00 0.00 H new ATOM 0 HG22 ILE A 19 38.226 17.595 31.655 1.00 0.00 H new ATOM 0 HG23 ILE A 19 36.465 17.546 31.403 1.00 0.00 H new ATOM 0 HD11 ILE A 19 34.397 15.871 28.830 1.00 0.00 H new ATOM 0 HD12 ILE A 19 34.888 16.712 30.320 1.00 0.00 H new ATOM 0 HD13 ILE A 19 35.113 17.498 28.739 1.00 0.00 H new ATOM 319 N ASP A 20 38.533 20.067 30.256 1.00 0.00 N ATOM 320 CA ASP A 20 39.553 20.957 30.797 1.00 0.00 C ATOM 321 C ASP A 20 40.309 20.296 31.943 1.00 0.00 C ATOM 322 O ASP A 20 39.841 19.318 32.525 1.00 0.00 O ATOM 323 CB ASP A 20 38.922 22.265 31.281 1.00 0.00 C ATOM 324 CG ASP A 20 38.423 23.140 30.139 1.00 0.00 C ATOM 325 OD1 ASP A 20 38.799 22.891 29.017 1.00 0.00 O ATOM 326 OD2 ASP A 20 37.672 24.049 30.398 1.00 0.00 O ATOM 0 H ASP A 20 37.575 20.358 30.449 1.00 0.00 H new ATOM 0 HA ASP A 20 40.260 21.175 29.997 1.00 0.00 H new ATOM 0 HB2 ASP A 20 38.090 22.037 31.947 1.00 0.00 H new ATOM 0 HB3 ASP A 20 39.655 22.822 31.865 1.00 0.00 H new ATOM 331 N PHE A 21 41.479 20.838 32.263 1.00 0.00 N ATOM 332 CA PHE A 21 42.292 20.316 33.355 1.00 0.00 C ATOM 333 C PHE A 21 42.873 21.444 34.197 1.00 0.00 C ATOM 334 O PHE A 21 42.956 22.587 33.748 1.00 0.00 O ATOM 335 CB PHE A 21 43.424 19.444 32.810 1.00 0.00 C ATOM 336 CG PHE A 21 44.449 20.207 32.020 1.00 0.00 C ATOM 337 CD1 PHE A 21 45.569 20.740 32.641 1.00 0.00 C ATOM 338 CD2 PHE A 21 44.296 20.393 30.654 1.00 0.00 C ATOM 339 CE1 PHE A 21 46.512 21.442 31.915 1.00 0.00 C ATOM 340 CE2 PHE A 21 45.238 21.094 29.926 1.00 0.00 C ATOM 341 CZ PHE A 21 46.347 21.619 30.558 1.00 0.00 C ATOM 0 H PHE A 21 41.886 21.640 31.781 1.00 0.00 H new ATOM 0 HA PHE A 21 41.645 19.710 33.989 1.00 0.00 H new ATOM 0 HB2 PHE A 21 43.919 18.944 33.643 1.00 0.00 H new ATOM 0 HB3 PHE A 21 42.998 18.665 32.178 1.00 0.00 H new ATOM 0 HD1 PHE A 21 45.705 20.605 33.704 1.00 0.00 H new ATOM 0 HD2 PHE A 21 43.430 19.985 30.154 1.00 0.00 H new ATOM 0 HE1 PHE A 21 47.379 21.852 32.411 1.00 0.00 H new ATOM 0 HE2 PHE A 21 45.107 21.231 28.863 1.00 0.00 H new ATOM 0 HZ PHE A 21 47.084 22.167 29.990 1.00 0.00 H new ATOM 351 N GLN A 22 43.275 21.116 35.420 1.00 0.00 N ATOM 352 CA GLN A 22 43.807 22.110 36.344 1.00 0.00 C ATOM 353 C GLN A 22 45.330 22.076 36.374 1.00 0.00 C ATOM 354 O GLN A 22 45.945 21.072 36.015 1.00 0.00 O ATOM 355 CB GLN A 22 43.252 21.885 37.753 1.00 0.00 C ATOM 356 CG GLN A 22 41.738 21.972 37.847 1.00 0.00 C ATOM 357 CD GLN A 22 41.217 23.355 37.506 1.00 0.00 C ATOM 358 OE1 GLN A 22 41.644 24.356 38.087 1.00 0.00 O ATOM 359 NE2 GLN A 22 40.288 23.419 36.559 1.00 0.00 N ATOM 0 H GLN A 22 43.242 20.168 35.795 1.00 0.00 H new ATOM 0 HA GLN A 22 43.493 23.092 35.991 1.00 0.00 H new ATOM 0 HB2 GLN A 22 43.571 20.904 38.105 1.00 0.00 H new ATOM 0 HB3 GLN A 22 43.690 22.622 38.426 1.00 0.00 H new ATOM 0 HG2 GLN A 22 41.292 21.242 37.172 1.00 0.00 H new ATOM 0 HG3 GLN A 22 41.423 21.707 38.856 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.964 22.566 36.104 1.00 0.00 H new ATOM 0 HE22 GLN A 22 39.899 24.322 36.286 1.00 0.00 H new ATOM 368 N GLU A 23 45.933 23.179 36.804 1.00 0.00 N ATOM 369 CA GLU A 23 47.385 23.266 36.912 1.00 0.00 C ATOM 370 C GLU A 23 47.811 23.647 38.323 1.00 0.00 C ATOM 371 O GLU A 23 47.158 24.458 38.981 1.00 0.00 O ATOM 372 CB GLU A 23 47.934 24.284 35.910 1.00 0.00 C ATOM 373 CG GLU A 23 47.583 23.990 34.458 1.00 0.00 C ATOM 374 CD GLU A 23 48.212 24.960 33.497 1.00 0.00 C ATOM 375 OE1 GLU A 23 48.160 26.139 33.753 1.00 0.00 O ATOM 376 OE2 GLU A 23 48.744 24.521 32.504 1.00 0.00 O ATOM 0 H GLU A 23 45.438 24.026 37.084 1.00 0.00 H new ATOM 0 HA GLU A 23 47.795 22.282 36.684 1.00 0.00 H new ATOM 0 HB2 GLU A 23 47.555 25.272 36.170 1.00 0.00 H new ATOM 0 HB3 GLU A 23 49.019 24.323 36.008 1.00 0.00 H new ATOM 0 HG2 GLU A 23 47.905 22.979 34.209 1.00 0.00 H new ATOM 0 HG3 GLU A 23 46.500 24.018 34.338 1.00 0.00 H new ATOM 383 N GLU A 24 48.909 23.058 38.784 1.00 0.00 N ATOM 384 CA GLU A 24 49.390 23.289 40.141 1.00 0.00 C ATOM 385 C GLU A 24 50.912 23.252 40.199 1.00 0.00 C ATOM 386 O GLU A 24 51.544 22.373 39.614 1.00 0.00 O ATOM 387 CB GLU A 24 48.808 22.247 41.098 1.00 0.00 C ATOM 388 CG GLU A 24 49.221 22.428 42.552 1.00 0.00 C ATOM 389 CD GLU A 24 48.578 21.428 43.472 1.00 0.00 C ATOM 390 OE1 GLU A 24 47.743 20.683 43.019 1.00 0.00 O ATOM 391 OE2 GLU A 24 48.923 21.409 44.630 1.00 0.00 O ATOM 0 H GLU A 24 49.483 22.416 38.237 1.00 0.00 H new ATOM 0 HA GLU A 24 49.058 24.281 40.448 1.00 0.00 H new ATOM 0 HB2 GLU A 24 47.720 22.281 41.035 1.00 0.00 H new ATOM 0 HB3 GLU A 24 49.115 21.255 40.766 1.00 0.00 H new ATOM 0 HG2 GLU A 24 50.305 22.341 42.630 1.00 0.00 H new ATOM 0 HG3 GLU A 24 48.957 23.435 42.877 1.00 0.00 H new ATOM 398 N ILE A 25 51.495 24.213 40.909 1.00 0.00 N ATOM 399 CA ILE A 25 52.936 24.234 41.129 1.00 0.00 C ATOM 400 C ILE A 25 53.273 23.984 42.594 1.00 0.00 C ATOM 401 O ILE A 25 52.783 24.682 43.481 1.00 0.00 O ATOM 402 CB ILE A 25 53.539 25.580 40.685 1.00 0.00 C ATOM 403 CG1 ILE A 25 53.275 25.818 39.196 1.00 0.00 C ATOM 404 CG2 ILE A 25 55.032 25.615 40.976 1.00 0.00 C ATOM 405 CD1 ILE A 25 53.637 27.208 38.727 1.00 0.00 C ATOM 0 H ILE A 25 50.991 24.987 41.342 1.00 0.00 H new ATOM 0 HA ILE A 25 53.368 23.434 40.528 1.00 0.00 H new ATOM 0 HB ILE A 25 53.060 26.379 41.251 1.00 0.00 H new ATOM 0 HG12 ILE A 25 53.841 25.090 38.615 1.00 0.00 H new ATOM 0 HG13 ILE A 25 52.220 25.639 38.990 1.00 0.00 H new ATOM 0 HG21 ILE A 25 55.443 26.573 40.656 1.00 0.00 H new ATOM 0 HG22 ILE A 25 55.197 25.488 42.046 1.00 0.00 H new ATOM 0 HG23 ILE A 25 55.527 24.809 40.435 1.00 0.00 H new ATOM 0 HD11 ILE A 25 53.422 27.300 37.662 1.00 0.00 H new ATOM 0 HD12 ILE A 25 53.052 27.943 39.280 1.00 0.00 H new ATOM 0 HD13 ILE A 25 54.699 27.385 38.899 1.00 0.00 H new ATOM 417 N GLN A 26 54.113 22.985 42.840 1.00 0.00 N ATOM 418 CA GLN A 26 54.490 22.618 44.200 1.00 0.00 C ATOM 419 C GLN A 26 55.990 22.765 44.414 1.00 0.00 C ATOM 420 O GLN A 26 56.774 22.673 43.470 1.00 0.00 O ATOM 421 CB GLN A 26 54.056 21.182 44.507 1.00 0.00 C ATOM 422 CG GLN A 26 52.555 20.956 44.436 1.00 0.00 C ATOM 423 CD GLN A 26 52.171 19.522 44.745 1.00 0.00 C ATOM 424 OE1 GLN A 26 53.013 18.620 44.724 1.00 0.00 O ATOM 425 NE2 GLN A 26 50.893 19.302 45.035 1.00 0.00 N ATOM 0 H GLN A 26 54.546 22.414 42.114 1.00 0.00 H new ATOM 0 HA GLN A 26 53.979 23.298 44.882 1.00 0.00 H new ATOM 0 HB2 GLN A 26 54.547 20.508 43.805 1.00 0.00 H new ATOM 0 HB3 GLN A 26 54.406 20.914 45.504 1.00 0.00 H new ATOM 0 HG2 GLN A 26 52.056 21.622 45.140 1.00 0.00 H new ATOM 0 HG3 GLN A 26 52.197 21.219 43.440 1.00 0.00 H new ATOM 0 HE21 GLN A 26 50.231 20.078 45.041 1.00 0.00 H new ATOM 0 HE22 GLN A 26 50.574 18.358 45.252 1.00 0.00 H new ATOM 434 N GLU A 27 56.385 22.994 45.662 1.00 0.00 N ATOM 435 CA GLU A 27 57.792 23.172 46.001 1.00 0.00 C ATOM 436 C GLU A 27 58.458 21.836 46.306 1.00 0.00 C ATOM 437 O GLU A 27 57.832 20.930 46.855 1.00 0.00 O ATOM 438 CB GLU A 27 57.937 24.111 47.200 1.00 0.00 C ATOM 439 CG GLU A 27 57.498 25.544 46.933 1.00 0.00 C ATOM 440 CD GLU A 27 57.796 26.470 48.080 1.00 0.00 C ATOM 441 OE1 GLU A 27 58.523 26.079 48.961 1.00 0.00 O ATOM 442 OE2 GLU A 27 57.297 27.570 48.073 1.00 0.00 O ATOM 0 H GLU A 27 55.749 23.061 46.457 1.00 0.00 H new ATOM 0 HA GLU A 27 58.289 23.614 45.138 1.00 0.00 H new ATOM 0 HB2 GLU A 27 57.353 23.714 48.030 1.00 0.00 H new ATOM 0 HB3 GLU A 27 58.980 24.116 47.518 1.00 0.00 H new ATOM 0 HG2 GLU A 27 57.998 25.911 46.037 1.00 0.00 H new ATOM 0 HG3 GLU A 27 56.427 25.559 46.729 1.00 0.00 H new ATOM 449 N ASN A 28 59.732 21.721 45.946 1.00 0.00 N ATOM 450 CA ASN A 28 60.493 20.504 46.203 1.00 0.00 C ATOM 451 C ASN A 28 61.841 20.821 46.839 1.00 0.00 C ATOM 452 O ASN A 28 62.769 21.264 46.162 1.00 0.00 O ATOM 453 CB ASN A 28 60.681 19.711 44.923 1.00 0.00 C ATOM 454 CG ASN A 28 61.328 18.375 45.161 1.00 0.00 C ATOM 455 OD1 ASN A 28 61.807 18.091 46.265 1.00 0.00 O ATOM 456 ND2 ASN A 28 61.352 17.549 44.146 1.00 0.00 N ATOM 0 H ASN A 28 60.259 22.456 45.475 1.00 0.00 H new ATOM 0 HA ASN A 28 59.924 19.896 46.907 1.00 0.00 H new ATOM 0 HB2 ASN A 28 59.712 19.562 44.447 1.00 0.00 H new ATOM 0 HB3 ASN A 28 61.292 20.288 44.229 1.00 0.00 H new ATOM 0 HD21 ASN A 28 61.778 16.628 44.248 1.00 0.00 H new ATOM 0 HD22 ASN A 28 60.944 17.826 43.253 1.00 0.00 H new ATOM 463 N PRO A 29 61.942 20.593 48.144 1.00 0.00 N ATOM 464 CA PRO A 29 63.151 20.924 48.888 1.00 0.00 C ATOM 465 C PRO A 29 64.373 20.247 48.283 1.00 0.00 C ATOM 466 O PRO A 29 65.488 20.762 48.370 1.00 0.00 O ATOM 467 CB PRO A 29 62.848 20.392 50.293 1.00 0.00 C ATOM 468 CG PRO A 29 61.365 20.492 50.409 1.00 0.00 C ATOM 469 CD PRO A 29 60.856 20.129 49.040 1.00 0.00 C ATOM 0 HA PRO A 29 63.385 21.988 48.879 1.00 0.00 H new ATOM 0 HB2 PRO A 29 63.188 19.363 50.411 1.00 0.00 H new ATOM 0 HB3 PRO A 29 63.348 20.984 51.060 1.00 0.00 H new ATOM 0 HG2 PRO A 29 60.979 19.813 51.169 1.00 0.00 H new ATOM 0 HG3 PRO A 29 61.056 21.498 50.694 1.00 0.00 H new ATOM 0 HD2 PRO A 29 60.685 19.057 48.945 1.00 0.00 H new ATOM 0 HD3 PRO A 29 59.911 20.623 48.817 1.00 0.00 H new ATOM 477 N ASP A 30 64.158 19.088 47.668 1.00 0.00 N ATOM 478 CA ASP A 30 65.254 18.286 47.139 1.00 0.00 C ATOM 479 C ASP A 30 65.927 18.980 45.962 1.00 0.00 C ATOM 480 O ASP A 30 67.102 18.748 45.681 1.00 0.00 O ATOM 481 CB ASP A 30 64.750 16.907 46.706 1.00 0.00 C ATOM 482 CG ASP A 30 64.376 16.016 47.883 1.00 0.00 C ATOM 483 OD1 ASP A 30 64.780 16.316 48.982 1.00 0.00 O ATOM 484 OD2 ASP A 30 63.689 15.046 47.673 1.00 0.00 O ATOM 0 H ASP A 30 63.233 18.683 47.524 1.00 0.00 H new ATOM 0 HA ASP A 30 65.989 18.165 47.935 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.881 17.030 46.059 1.00 0.00 H new ATOM 0 HB3 ASP A 30 65.521 16.414 46.114 1.00 0.00 H new ATOM 489 N LEU A 31 65.174 19.833 45.276 1.00 0.00 N ATOM 490 CA LEU A 31 65.703 20.583 44.144 1.00 0.00 C ATOM 491 C LEU A 31 66.328 21.897 44.596 1.00 0.00 C ATOM 492 O LEU A 31 65.865 22.519 45.552 1.00 0.00 O ATOM 493 CB LEU A 31 64.590 20.864 43.126 1.00 0.00 C ATOM 494 CG LEU A 31 63.960 19.627 42.472 1.00 0.00 C ATOM 495 CD1 LEU A 31 62.819 20.060 41.562 1.00 0.00 C ATOM 496 CD2 LEU A 31 65.024 18.868 41.693 1.00 0.00 C ATOM 0 H LEU A 31 64.194 20.022 45.485 1.00 0.00 H new ATOM 0 HA LEU A 31 66.478 19.976 43.676 1.00 0.00 H new ATOM 0 HB2 LEU A 31 63.803 21.430 43.623 1.00 0.00 H new ATOM 0 HB3 LEU A 31 64.994 21.502 42.340 1.00 0.00 H new ATOM 0 HG LEU A 31 63.556 18.964 43.238 1.00 0.00 H new ATOM 0 HD11 LEU A 31 62.371 19.182 41.097 1.00 0.00 H new ATOM 0 HD12 LEU A 31 62.065 20.585 42.149 1.00 0.00 H new ATOM 0 HD13 LEU A 31 63.203 20.724 40.788 1.00 0.00 H new ATOM 0 HD21 LEU A 31 64.577 17.989 41.228 1.00 0.00 H new ATOM 0 HD22 LEU A 31 65.440 19.515 40.921 1.00 0.00 H new ATOM 0 HD23 LEU A 31 65.818 18.556 42.371 1.00 0.00 H new ATOM 508 N ALA A 32 67.383 22.314 43.904 1.00 0.00 N ATOM 509 CA ALA A 32 68.039 23.582 44.197 1.00 0.00 C ATOM 510 C ALA A 32 67.091 24.755 43.983 1.00 0.00 C ATOM 511 O ALA A 32 66.318 24.774 43.026 1.00 0.00 O ATOM 512 CB ALA A 32 69.285 23.746 43.339 1.00 0.00 C ATOM 0 H ALA A 32 67.802 21.791 43.135 1.00 0.00 H new ATOM 0 HA ALA A 32 68.333 23.573 45.247 1.00 0.00 H new ATOM 0 HB1 ALA A 32 69.763 24.698 43.570 1.00 0.00 H new ATOM 0 HB2 ALA A 32 69.979 22.932 43.546 1.00 0.00 H new ATOM 0 HB3 ALA A 32 69.006 23.726 42.285 1.00 0.00 H new ATOM 518 N GLU A 33 67.155 25.733 44.881 1.00 0.00 N ATOM 519 CA GLU A 33 66.212 26.845 44.872 1.00 0.00 C ATOM 520 C GLU A 33 66.128 27.485 43.492 1.00 0.00 C ATOM 521 O GLU A 33 67.135 27.932 42.942 1.00 0.00 O ATOM 522 CB GLU A 33 66.616 27.895 45.909 1.00 0.00 C ATOM 523 CG GLU A 33 65.631 29.047 46.053 1.00 0.00 C ATOM 524 CD GLU A 33 66.018 30.015 47.136 1.00 0.00 C ATOM 525 OE1 GLU A 33 67.016 29.792 47.778 1.00 0.00 O ATOM 526 OE2 GLU A 33 65.315 30.981 47.321 1.00 0.00 O ATOM 0 H GLU A 33 67.851 25.778 45.625 1.00 0.00 H new ATOM 0 HA GLU A 33 65.229 26.450 45.127 1.00 0.00 H new ATOM 0 HB2 GLU A 33 66.730 27.407 46.877 1.00 0.00 H new ATOM 0 HB3 GLU A 33 67.592 28.299 45.639 1.00 0.00 H new ATOM 0 HG2 GLU A 33 65.561 29.580 45.105 1.00 0.00 H new ATOM 0 HG3 GLU A 33 64.640 28.647 46.267 1.00 0.00 H new ATOM 533 N GLY A 34 64.922 27.526 42.937 1.00 0.00 N ATOM 534 CA GLY A 34 64.694 28.164 41.646 1.00 0.00 C ATOM 535 C GLY A 34 64.553 27.128 40.537 1.00 0.00 C ATOM 536 O GLY A 34 64.070 27.434 39.447 1.00 0.00 O ATOM 0 H GLY A 34 64.086 27.124 43.362 1.00 0.00 H new ATOM 0 HA2 GLY A 34 63.793 28.775 41.693 1.00 0.00 H new ATOM 0 HA3 GLY A 34 65.522 28.835 41.418 1.00 0.00 H new ATOM 540 N THR A 35 64.976 25.902 40.823 1.00 0.00 N ATOM 541 CA THR A 35 64.927 24.826 39.840 1.00 0.00 C ATOM 542 C THR A 35 63.490 24.482 39.471 1.00 0.00 C ATOM 543 O THR A 35 62.642 24.296 40.345 1.00 0.00 O ATOM 544 CB THR A 35 65.643 23.566 40.361 1.00 0.00 C ATOM 545 OG1 THR A 35 67.022 23.866 40.611 1.00 0.00 O ATOM 546 CG2 THR A 35 65.549 22.440 39.343 1.00 0.00 C ATOM 0 H THR A 35 65.357 25.628 41.729 1.00 0.00 H new ATOM 0 HA THR A 35 65.443 25.181 38.948 1.00 0.00 H new ATOM 0 HB THR A 35 65.160 23.248 41.285 1.00 0.00 H new ATOM 0 HG1 THR A 35 67.107 24.313 41.479 1.00 0.00 H new ATOM 0 HG21 THR A 35 66.060 21.558 39.728 1.00 0.00 H new ATOM 0 HG22 THR A 35 64.501 22.201 39.160 1.00 0.00 H new ATOM 0 HG23 THR A 35 66.018 22.753 38.410 1.00 0.00 H new ATOM 554 N VAL A 36 63.221 24.400 38.173 1.00 0.00 N ATOM 555 CA VAL A 36 61.898 24.028 37.686 1.00 0.00 C ATOM 556 C VAL A 36 61.921 22.660 37.017 1.00 0.00 C ATOM 557 O VAL A 36 62.683 22.430 36.078 1.00 0.00 O ATOM 558 CB VAL A 36 61.383 25.078 36.684 1.00 0.00 C ATOM 559 CG1 VAL A 36 60.025 24.668 36.133 1.00 0.00 C ATOM 560 CG2 VAL A 36 61.303 26.440 37.356 1.00 0.00 C ATOM 0 H VAL A 36 63.903 24.587 37.438 1.00 0.00 H new ATOM 0 HA VAL A 36 61.229 23.984 38.546 1.00 0.00 H new ATOM 0 HB VAL A 36 62.081 25.142 35.849 1.00 0.00 H new ATOM 0 HG11 VAL A 36 59.676 25.421 35.427 1.00 0.00 H new ATOM 0 HG12 VAL A 36 60.113 23.708 35.625 1.00 0.00 H new ATOM 0 HG13 VAL A 36 59.311 24.581 36.952 1.00 0.00 H new ATOM 0 HG21 VAL A 36 60.938 27.178 36.641 1.00 0.00 H new ATOM 0 HG22 VAL A 36 60.620 26.388 38.204 1.00 0.00 H new ATOM 0 HG23 VAL A 36 62.293 26.732 37.705 1.00 0.00 H new ATOM 570 N ARG A 37 61.081 21.754 37.506 1.00 0.00 N ATOM 571 CA ARG A 37 60.991 20.411 36.944 1.00 0.00 C ATOM 572 C ARG A 37 59.545 19.937 36.881 1.00 0.00 C ATOM 573 O ARG A 37 58.879 19.804 37.908 1.00 0.00 O ATOM 574 CB ARG A 37 61.808 19.429 37.770 1.00 0.00 C ATOM 575 CG ARG A 37 61.859 18.015 37.215 1.00 0.00 C ATOM 576 CD ARG A 37 62.791 17.154 37.989 1.00 0.00 C ATOM 577 NE ARG A 37 62.271 16.846 39.312 1.00 0.00 N ATOM 578 CZ ARG A 37 62.838 15.979 40.174 1.00 0.00 C ATOM 579 NH1 ARG A 37 63.940 15.346 39.839 1.00 0.00 N ATOM 580 NH2 ARG A 37 62.287 15.767 41.356 1.00 0.00 N ATOM 0 H ARG A 37 60.452 21.925 38.291 1.00 0.00 H new ATOM 0 HA ARG A 37 61.391 20.452 35.931 1.00 0.00 H new ATOM 0 HB2 ARG A 37 62.827 19.807 37.855 1.00 0.00 H new ATOM 0 HB3 ARG A 37 61.396 19.394 38.778 1.00 0.00 H new ATOM 0 HG2 ARG A 37 60.860 17.580 37.235 1.00 0.00 H new ATOM 0 HG3 ARG A 37 62.173 18.045 36.172 1.00 0.00 H new ATOM 0 HD2 ARG A 37 62.967 16.227 37.443 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.754 17.656 38.085 1.00 0.00 H new ATOM 0 HE ARG A 37 61.417 17.319 39.608 1.00 0.00 H new ATOM 0 HH11 ARG A 37 64.366 15.511 38.927 1.00 0.00 H new ATOM 0 HH12 ARG A 37 64.369 14.690 40.491 1.00 0.00 H new ATOM 0 HH21 ARG A 37 61.432 16.260 41.616 1.00 0.00 H new ATOM 0 HH22 ARG A 37 62.716 15.111 42.008 1.00 0.00 H new ATOM 594 N VAL A 38 59.063 19.683 35.669 1.00 0.00 N ATOM 595 CA VAL A 38 57.684 19.254 35.467 1.00 0.00 C ATOM 596 C VAL A 38 57.491 17.802 35.885 1.00 0.00 C ATOM 597 O VAL A 38 58.167 16.906 35.381 1.00 0.00 O ATOM 598 CB VAL A 38 57.285 19.416 33.988 1.00 0.00 C ATOM 599 CG1 VAL A 38 55.872 18.903 33.758 1.00 0.00 C ATOM 600 CG2 VAL A 38 57.402 20.876 33.577 1.00 0.00 C ATOM 0 H VAL A 38 59.608 19.767 34.811 1.00 0.00 H new ATOM 0 HA VAL A 38 57.048 19.884 36.089 1.00 0.00 H new ATOM 0 HB VAL A 38 57.963 18.825 33.372 1.00 0.00 H new ATOM 0 HG11 VAL A 38 55.607 19.025 32.708 1.00 0.00 H new ATOM 0 HG12 VAL A 38 55.820 17.847 34.025 1.00 0.00 H new ATOM 0 HG13 VAL A 38 55.175 19.468 34.376 1.00 0.00 H new ATOM 0 HG21 VAL A 38 57.118 20.983 32.530 1.00 0.00 H new ATOM 0 HG22 VAL A 38 56.741 21.482 34.196 1.00 0.00 H new ATOM 0 HG23 VAL A 38 58.431 21.210 33.710 1.00 0.00 H new ATOM 610 N LYS A 39 56.565 17.577 36.811 1.00 0.00 N ATOM 611 CA LYS A 39 56.289 16.234 37.307 1.00 0.00 C ATOM 612 C LYS A 39 55.254 15.529 36.440 1.00 0.00 C ATOM 613 O LYS A 39 55.403 14.352 36.112 1.00 0.00 O ATOM 614 CB LYS A 39 55.811 16.287 38.759 1.00 0.00 C ATOM 615 CG LYS A 39 55.527 14.925 39.378 1.00 0.00 C ATOM 616 CD LYS A 39 55.208 15.047 40.860 1.00 0.00 C ATOM 617 CE LYS A 39 54.935 13.686 41.483 1.00 0.00 C ATOM 618 NZ LYS A 39 54.645 13.787 42.939 1.00 0.00 N ATOM 0 H LYS A 39 55.993 18.308 37.233 1.00 0.00 H new ATOM 0 HA LYS A 39 57.217 15.664 37.261 1.00 0.00 H new ATOM 0 HB2 LYS A 39 56.566 16.795 39.359 1.00 0.00 H new ATOM 0 HB3 LYS A 39 54.905 16.891 38.809 1.00 0.00 H new ATOM 0 HG2 LYS A 39 54.690 14.456 38.861 1.00 0.00 H new ATOM 0 HG3 LYS A 39 56.391 14.274 39.242 1.00 0.00 H new ATOM 0 HD2 LYS A 39 56.042 15.524 41.375 1.00 0.00 H new ATOM 0 HD3 LYS A 39 54.339 15.691 40.995 1.00 0.00 H new ATOM 0 HE2 LYS A 39 54.090 13.219 40.977 1.00 0.00 H new ATOM 0 HE3 LYS A 39 55.797 13.037 41.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 54.465 12.838 43.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 55.461 14.209 43.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 53.807 14.385 43.085 1.00 0.00 H new ATOM 632 N GLN A 40 54.204 16.255 36.072 1.00 0.00 N ATOM 633 CA GLN A 40 53.153 15.707 35.223 1.00 0.00 C ATOM 634 C GLN A 40 52.715 16.715 34.168 1.00 0.00 C ATOM 635 O GLN A 40 52.265 17.813 34.494 1.00 0.00 O ATOM 636 CB GLN A 40 51.950 15.279 36.068 1.00 0.00 C ATOM 637 CG GLN A 40 50.822 14.649 35.270 1.00 0.00 C ATOM 638 CD GLN A 40 49.724 14.095 36.158 1.00 0.00 C ATOM 639 OE1 GLN A 40 49.919 13.901 37.361 1.00 0.00 O ATOM 640 NE2 GLN A 40 48.562 13.836 35.570 1.00 0.00 N ATOM 0 H GLN A 40 54.058 17.226 36.349 1.00 0.00 H new ATOM 0 HA GLN A 40 53.559 14.833 34.714 1.00 0.00 H new ATOM 0 HB2 GLN A 40 52.285 14.569 36.824 1.00 0.00 H new ATOM 0 HB3 GLN A 40 51.563 16.150 36.597 1.00 0.00 H new ATOM 0 HG2 GLN A 40 50.399 15.393 34.595 1.00 0.00 H new ATOM 0 HG3 GLN A 40 51.223 13.847 34.650 1.00 0.00 H new ATOM 0 HE21 GLN A 40 48.445 14.012 34.572 1.00 0.00 H new ATOM 0 HE22 GLN A 40 47.786 13.461 36.116 1.00 0.00 H new ATOM 649 N GLU A 41 52.850 16.335 32.902 1.00 0.00 N ATOM 650 CA GLU A 41 52.400 17.175 31.798 1.00 0.00 C ATOM 651 C GLU A 41 50.879 17.244 31.744 1.00 0.00 C ATOM 652 O GLU A 41 50.201 16.216 31.731 1.00 0.00 O ATOM 653 CB GLU A 41 52.944 16.646 30.469 1.00 0.00 C ATOM 654 CG GLU A 41 52.460 17.408 29.244 1.00 0.00 C ATOM 655 CD GLU A 41 52.928 18.837 29.222 1.00 0.00 C ATOM 656 OE1 GLU A 41 53.876 19.143 29.904 1.00 0.00 O ATOM 657 OE2 GLU A 41 52.335 19.624 28.522 1.00 0.00 O ATOM 0 H GLU A 41 53.268 15.450 32.615 1.00 0.00 H new ATOM 0 HA GLU A 41 52.784 18.181 31.967 1.00 0.00 H new ATOM 0 HB2 GLU A 41 54.033 16.681 30.497 1.00 0.00 H new ATOM 0 HB3 GLU A 41 52.661 15.598 30.366 1.00 0.00 H new ATOM 0 HG2 GLU A 41 52.812 16.902 28.345 1.00 0.00 H new ATOM 0 HG3 GLU A 41 51.371 17.387 29.216 1.00 0.00 H new ATOM 664 N GLY A 42 50.348 18.461 31.711 1.00 0.00 N ATOM 665 CA GLY A 42 48.909 18.666 31.590 1.00 0.00 C ATOM 666 C GLY A 42 48.428 18.372 30.176 1.00 0.00 C ATOM 667 O GLY A 42 49.165 18.560 29.207 1.00 0.00 O ATOM 0 H GLY A 42 50.893 19.322 31.766 1.00 0.00 H new ATOM 0 HA2 GLY A 42 48.386 18.021 32.296 1.00 0.00 H new ATOM 0 HA3 GLY A 42 48.662 19.694 31.855 1.00 0.00 H new ATOM 671 N LYS A 43 47.187 17.910 30.062 1.00 0.00 N ATOM 672 CA LYS A 43 46.618 17.551 28.769 1.00 0.00 C ATOM 673 C LYS A 43 45.098 17.486 28.834 1.00 0.00 C ATOM 674 O LYS A 43 44.531 16.958 29.791 1.00 0.00 O ATOM 675 CB LYS A 43 47.182 16.213 28.288 1.00 0.00 C ATOM 676 CG LYS A 43 46.729 15.804 26.893 1.00 0.00 C ATOM 677 CD LYS A 43 47.403 14.514 26.449 1.00 0.00 C ATOM 678 CE LYS A 43 46.950 14.103 25.056 1.00 0.00 C ATOM 679 NZ LYS A 43 47.603 12.843 24.608 1.00 0.00 N ATOM 0 H LYS A 43 46.555 17.775 30.852 1.00 0.00 H new ATOM 0 HA LYS A 43 46.895 18.328 28.057 1.00 0.00 H new ATOM 0 HB2 LYS A 43 48.271 16.265 28.302 1.00 0.00 H new ATOM 0 HB3 LYS A 43 46.891 15.435 28.994 1.00 0.00 H new ATOM 0 HG2 LYS A 43 45.647 15.673 26.883 1.00 0.00 H new ATOM 0 HG3 LYS A 43 46.960 16.600 26.185 1.00 0.00 H new ATOM 0 HD2 LYS A 43 48.485 14.645 26.458 1.00 0.00 H new ATOM 0 HD3 LYS A 43 47.173 13.719 27.158 1.00 0.00 H new ATOM 0 HE2 LYS A 43 45.868 13.973 25.050 1.00 0.00 H new ATOM 0 HE3 LYS A 43 47.179 14.901 24.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 47.267 12.598 23.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 48.634 12.974 24.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 47.364 12.075 25.267 1.00 0.00 H new ATOM 693 N LEU A 44 44.443 18.026 27.812 1.00 0.00 N ATOM 694 CA LEU A 44 42.987 17.998 27.734 1.00 0.00 C ATOM 695 C LEU A 44 42.472 16.574 27.569 1.00 0.00 C ATOM 696 O LEU A 44 43.077 15.762 26.869 1.00 0.00 O ATOM 697 CB LEU A 44 42.502 18.863 26.565 1.00 0.00 C ATOM 698 CG LEU A 44 42.741 20.372 26.709 1.00 0.00 C ATOM 699 CD1 LEU A 44 42.443 21.063 25.386 1.00 0.00 C ATOM 700 CD2 LEU A 44 41.861 20.921 27.823 1.00 0.00 C ATOM 0 H LEU A 44 44.898 18.489 27.025 1.00 0.00 H new ATOM 0 HA LEU A 44 42.594 18.400 28.668 1.00 0.00 H new ATOM 0 HB2 LEU A 44 42.995 18.521 25.655 1.00 0.00 H new ATOM 0 HB3 LEU A 44 41.433 18.694 26.431 1.00 0.00 H new ATOM 0 HG LEU A 44 43.783 20.561 26.968 1.00 0.00 H new ATOM 0 HD11 LEU A 44 42.613 22.135 25.489 1.00 0.00 H new ATOM 0 HD12 LEU A 44 43.098 20.664 24.612 1.00 0.00 H new ATOM 0 HD13 LEU A 44 41.404 20.885 25.109 1.00 0.00 H new ATOM 0 HD21 LEU A 44 42.030 21.993 27.926 1.00 0.00 H new ATOM 0 HD22 LEU A 44 40.813 20.741 27.582 1.00 0.00 H new ATOM 0 HD23 LEU A 44 42.108 20.423 28.761 1.00 0.00 H new ATOM 712 N GLY A 45 41.350 16.277 28.216 1.00 0.00 N ATOM 713 CA GLY A 45 40.681 14.994 28.041 1.00 0.00 C ATOM 714 C GLY A 45 39.610 15.073 26.961 1.00 0.00 C ATOM 715 O GLY A 45 39.609 15.991 26.141 1.00 0.00 O ATOM 0 H GLY A 45 40.884 16.909 28.867 1.00 0.00 H new ATOM 0 HA2 GLY A 45 41.414 14.232 27.775 1.00 0.00 H new ATOM 0 HA3 GLY A 45 40.229 14.685 28.983 1.00 0.00 H new ATOM 719 N LYS A 46 38.700 14.105 26.965 1.00 0.00 N ATOM 720 CA LYS A 46 37.586 14.097 26.024 1.00 0.00 C ATOM 721 C LYS A 46 36.496 13.130 26.469 1.00 0.00 C ATOM 722 O LYS A 46 36.783 12.013 26.899 1.00 0.00 O ATOM 723 CB LYS A 46 38.073 13.733 24.621 1.00 0.00 C ATOM 724 CG LYS A 46 38.596 12.309 24.487 1.00 0.00 C ATOM 725 CD LYS A 46 39.040 12.015 23.062 1.00 0.00 C ATOM 726 CE LYS A 46 39.489 10.569 22.908 1.00 0.00 C ATOM 727 NZ LYS A 46 39.873 10.252 21.506 1.00 0.00 N ATOM 0 H LYS A 46 38.712 13.315 27.610 1.00 0.00 H new ATOM 0 HA LYS A 46 37.161 15.101 26.001 1.00 0.00 H new ATOM 0 HB2 LYS A 46 37.253 13.874 23.917 1.00 0.00 H new ATOM 0 HB3 LYS A 46 38.863 14.426 24.333 1.00 0.00 H new ATOM 0 HG2 LYS A 46 39.433 12.161 25.169 1.00 0.00 H new ATOM 0 HG3 LYS A 46 37.818 11.604 24.780 1.00 0.00 H new ATOM 0 HD2 LYS A 46 38.219 12.218 22.374 1.00 0.00 H new ATOM 0 HD3 LYS A 46 39.857 12.683 22.789 1.00 0.00 H new ATOM 0 HE2 LYS A 46 40.336 10.380 23.568 1.00 0.00 H new ATOM 0 HE3 LYS A 46 38.685 9.904 23.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 40.156 9.253 21.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 39.063 10.424 20.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 40.669 10.857 21.219 1.00 0.00 H new ATOM 741 N LYS A 47 35.246 13.566 26.362 1.00 0.00 N ATOM 742 CA LYS A 47 34.106 12.692 26.612 1.00 0.00 C ATOM 743 C LYS A 47 33.572 12.099 25.314 1.00 0.00 C ATOM 744 O LYS A 47 33.061 12.819 24.456 1.00 0.00 O ATOM 745 CB LYS A 47 32.996 13.453 27.339 1.00 0.00 C ATOM 746 CG LYS A 47 31.776 12.609 27.683 1.00 0.00 C ATOM 747 CD LYS A 47 30.732 13.426 28.430 1.00 0.00 C ATOM 748 CE LYS A 47 29.503 12.590 28.756 1.00 0.00 C ATOM 749 NZ LYS A 47 28.462 13.383 29.464 1.00 0.00 N ATOM 0 H LYS A 47 34.996 14.521 26.104 1.00 0.00 H new ATOM 0 HA LYS A 47 34.446 11.873 27.246 1.00 0.00 H new ATOM 0 HB2 LYS A 47 33.403 13.874 28.259 1.00 0.00 H new ATOM 0 HB3 LYS A 47 32.680 14.291 26.718 1.00 0.00 H new ATOM 0 HG2 LYS A 47 31.340 12.206 26.769 1.00 0.00 H new ATOM 0 HG3 LYS A 47 32.080 11.758 28.293 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.164 13.816 29.352 1.00 0.00 H new ATOM 0 HD3 LYS A 47 30.440 14.285 27.826 1.00 0.00 H new ATOM 0 HE2 LYS A 47 29.086 12.184 27.834 1.00 0.00 H new ATOM 0 HE3 LYS A 47 29.795 11.741 29.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 27.642 12.776 29.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 28.852 13.749 30.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 28.164 14.178 28.864 1.00 0.00 H new ATOM 763 N VAL A 48 33.692 10.783 25.177 1.00 0.00 N ATOM 764 CA VAL A 48 33.309 10.103 23.946 1.00 0.00 C ATOM 765 C VAL A 48 31.858 9.641 24.001 1.00 0.00 C ATOM 766 O VAL A 48 31.455 8.938 24.928 1.00 0.00 O ATOM 767 CB VAL A 48 34.222 8.888 23.699 1.00 0.00 C ATOM 768 CG1 VAL A 48 33.790 8.142 22.445 1.00 0.00 C ATOM 769 CG2 VAL A 48 35.669 9.343 23.585 1.00 0.00 C ATOM 0 H VAL A 48 34.052 10.166 25.905 1.00 0.00 H new ATOM 0 HA VAL A 48 33.419 10.814 23.127 1.00 0.00 H new ATOM 0 HB VAL A 48 34.137 8.204 24.544 1.00 0.00 H new ATOM 0 HG11 VAL A 48 34.447 7.287 22.286 1.00 0.00 H new ATOM 0 HG12 VAL A 48 32.764 7.795 22.564 1.00 0.00 H new ATOM 0 HG13 VAL A 48 33.850 8.810 21.586 1.00 0.00 H new ATOM 0 HG21 VAL A 48 36.310 8.479 23.410 1.00 0.00 H new ATOM 0 HG22 VAL A 48 35.767 10.041 22.753 1.00 0.00 H new ATOM 0 HG23 VAL A 48 35.969 9.836 24.510 1.00 0.00 H new ATOM 779 N GLU A 49 31.077 10.039 23.003 1.00 0.00 N ATOM 780 CA GLU A 49 29.691 9.600 22.892 1.00 0.00 C ATOM 781 C GLU A 49 29.316 9.319 21.443 1.00 0.00 C ATOM 782 O GLU A 49 29.192 10.239 20.634 1.00 0.00 O ATOM 783 CB GLU A 49 28.749 10.655 23.478 1.00 0.00 C ATOM 784 CG GLU A 49 27.279 10.261 23.463 1.00 0.00 C ATOM 785 CD GLU A 49 26.394 11.283 24.122 1.00 0.00 C ATOM 786 OE1 GLU A 49 26.913 12.219 24.680 1.00 0.00 O ATOM 787 OE2 GLU A 49 25.197 11.126 24.068 1.00 0.00 O ATOM 0 H GLU A 49 31.381 10.666 22.258 1.00 0.00 H new ATOM 0 HA GLU A 49 29.589 8.674 23.458 1.00 0.00 H new ATOM 0 HB2 GLU A 49 29.047 10.860 24.506 1.00 0.00 H new ATOM 0 HB3 GLU A 49 28.870 11.583 22.919 1.00 0.00 H new ATOM 0 HG2 GLU A 49 26.956 10.119 22.432 1.00 0.00 H new ATOM 0 HG3 GLU A 49 27.159 9.303 23.969 1.00 0.00 H new ATOM 794 N ILE A 50 29.137 8.043 21.120 1.00 0.00 N ATOM 795 CA ILE A 50 28.759 7.639 19.771 1.00 0.00 C ATOM 796 C ILE A 50 27.246 7.525 19.633 1.00 0.00 C ATOM 797 O ILE A 50 26.604 6.759 20.350 1.00 0.00 O ATOM 798 CB ILE A 50 29.412 6.296 19.396 1.00 0.00 C ATOM 799 CG1 ILE A 50 30.937 6.406 19.465 1.00 0.00 C ATOM 800 CG2 ILE A 50 28.969 5.858 18.008 1.00 0.00 C ATOM 801 CD1 ILE A 50 31.652 5.080 19.343 1.00 0.00 C ATOM 0 H ILE A 50 29.248 7.269 21.775 1.00 0.00 H new ATOM 0 HA ILE A 50 29.116 8.411 19.090 1.00 0.00 H new ATOM 0 HB ILE A 50 29.089 5.541 20.113 1.00 0.00 H new ATOM 0 HG12 ILE A 50 31.280 7.067 18.670 1.00 0.00 H new ATOM 0 HG13 ILE A 50 31.216 6.872 20.410 1.00 0.00 H new ATOM 0 HG21 ILE A 50 29.440 4.907 17.759 1.00 0.00 H new ATOM 0 HG22 ILE A 50 27.885 5.742 17.992 1.00 0.00 H new ATOM 0 HG23 ILE A 50 29.264 6.611 17.277 1.00 0.00 H new ATOM 0 HD11 ILE A 50 32.729 5.240 19.401 1.00 0.00 H new ATOM 0 HD12 ILE A 50 31.339 4.422 20.154 1.00 0.00 H new ATOM 0 HD13 ILE A 50 31.405 4.620 18.386 1.00 0.00 H new ATOM 813 N VAL A 51 26.682 8.293 18.707 1.00 0.00 N ATOM 814 CA VAL A 51 25.235 8.363 18.547 1.00 0.00 C ATOM 815 C VAL A 51 24.808 7.871 17.170 1.00 0.00 C ATOM 816 O VAL A 51 25.350 8.301 16.151 1.00 0.00 O ATOM 817 CB VAL A 51 24.744 9.809 18.747 1.00 0.00 C ATOM 818 CG1 VAL A 51 23.243 9.898 18.517 1.00 0.00 C ATOM 819 CG2 VAL A 51 25.106 10.289 20.144 1.00 0.00 C ATOM 0 H VAL A 51 27.206 8.876 18.055 1.00 0.00 H new ATOM 0 HA VAL A 51 24.787 7.717 19.302 1.00 0.00 H new ATOM 0 HB VAL A 51 25.235 10.454 18.019 1.00 0.00 H new ATOM 0 HG11 VAL A 51 22.913 10.927 18.662 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.012 9.583 17.499 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.727 9.248 19.224 1.00 0.00 H new ATOM 0 HG21 VAL A 51 24.756 11.312 20.279 1.00 0.00 H new ATOM 0 HG22 VAL A 51 24.634 9.643 20.884 1.00 0.00 H new ATOM 0 HG23 VAL A 51 26.188 10.256 20.271 1.00 0.00 H new ATOM 829 N ARG A 52 23.835 6.967 17.145 1.00 0.00 N ATOM 830 CA ARG A 52 23.324 6.425 15.891 1.00 0.00 C ATOM 831 C ARG A 52 22.081 7.177 15.432 1.00 0.00 C ATOM 832 O ARG A 52 21.102 7.286 16.171 1.00 0.00 O ATOM 833 CB ARG A 52 22.993 4.948 16.042 1.00 0.00 C ATOM 834 CG ARG A 52 22.482 4.275 14.778 1.00 0.00 C ATOM 835 CD ARG A 52 22.174 2.840 15.006 1.00 0.00 C ATOM 836 NE ARG A 52 23.373 2.066 15.287 1.00 0.00 N ATOM 837 CZ ARG A 52 23.427 1.020 16.135 1.00 0.00 C ATOM 838 NH1 ARG A 52 22.345 0.636 16.774 1.00 0.00 N ATOM 839 NH2 ARG A 52 24.568 0.380 16.323 1.00 0.00 N ATOM 0 H ARG A 52 23.384 6.594 17.980 1.00 0.00 H new ATOM 0 HA ARG A 52 24.104 6.546 15.140 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.886 4.423 16.380 1.00 0.00 H new ATOM 0 HB3 ARG A 52 22.242 4.837 16.825 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.586 4.789 14.429 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.229 4.366 13.990 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.478 2.746 15.839 1.00 0.00 H new ATOM 0 HD3 ARG A 52 21.676 2.431 14.127 1.00 0.00 H new ATOM 0 HE ARG A 52 24.233 2.334 14.809 1.00 0.00 H new ATOM 0 HH11 ARG A 52 21.464 1.130 16.628 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.386 -0.156 17.416 1.00 0.00 H new ATOM 0 HH21 ARG A 52 25.408 0.678 15.826 1.00 0.00 H new ATOM 0 HH22 ARG A 52 24.609 -0.412 16.965 1.00 0.00 H new ATOM 853 N ILE A 53 22.126 7.693 14.209 1.00 0.00 N ATOM 854 CA ILE A 53 21.018 8.467 13.663 1.00 0.00 C ATOM 855 C ILE A 53 20.180 7.630 12.705 1.00 0.00 C ATOM 856 O ILE A 53 20.661 7.203 11.656 1.00 0.00 O ATOM 857 CB ILE A 53 21.531 9.723 12.934 1.00 0.00 C ATOM 858 CG1 ILE A 53 22.345 10.600 13.889 1.00 0.00 C ATOM 859 CG2 ILE A 53 20.370 10.507 12.344 1.00 0.00 C ATOM 860 CD1 ILE A 53 23.091 11.721 13.203 1.00 0.00 C ATOM 0 H ILE A 53 22.919 7.589 13.576 1.00 0.00 H new ATOM 0 HA ILE A 53 20.392 8.772 14.502 1.00 0.00 H new ATOM 0 HB ILE A 53 22.182 9.409 12.118 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.675 11.026 14.636 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.060 9.973 14.422 1.00 0.00 H new ATOM 0 HG21 ILE A 53 20.751 11.391 11.833 1.00 0.00 H new ATOM 0 HG22 ILE A 53 19.832 9.880 11.633 1.00 0.00 H new ATOM 0 HG23 ILE A 53 19.694 10.813 13.143 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.644 12.298 13.945 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.787 11.303 12.476 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.381 12.372 12.693 1.00 0.00 H new ATOM 872 N PHE A 54 18.924 7.399 13.073 1.00 0.00 N ATOM 873 CA PHE A 54 18.024 6.590 12.260 1.00 0.00 C ATOM 874 C PHE A 54 17.217 7.458 11.303 1.00 0.00 C ATOM 875 O PHE A 54 16.493 8.358 11.728 1.00 0.00 O ATOM 876 CB PHE A 54 17.076 5.786 13.151 1.00 0.00 C ATOM 877 CG PHE A 54 16.143 4.888 12.388 1.00 0.00 C ATOM 878 CD1 PHE A 54 16.618 4.079 11.367 1.00 0.00 C ATOM 879 CD2 PHE A 54 14.791 4.851 12.691 1.00 0.00 C ATOM 880 CE1 PHE A 54 15.761 3.253 10.664 1.00 0.00 C ATOM 881 CE2 PHE A 54 13.932 4.025 11.992 1.00 0.00 C ATOM 882 CZ PHE A 54 14.418 3.225 10.977 1.00 0.00 C ATOM 0 H PHE A 54 18.506 7.761 13.930 1.00 0.00 H new ATOM 0 HA PHE A 54 18.634 5.903 11.673 1.00 0.00 H new ATOM 0 HB2 PHE A 54 17.665 5.181 13.840 1.00 0.00 H new ATOM 0 HB3 PHE A 54 16.488 6.476 13.756 1.00 0.00 H new ATOM 0 HD1 PHE A 54 17.669 4.094 11.118 1.00 0.00 H new ATOM 0 HD2 PHE A 54 14.404 5.475 13.483 1.00 0.00 H new ATOM 0 HE1 PHE A 54 16.143 2.629 9.869 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.881 4.005 12.239 1.00 0.00 H new ATOM 0 HZ PHE A 54 13.748 2.579 10.429 1.00 0.00 H new ATOM 892 N SER A 55 17.346 7.182 10.010 1.00 0.00 N ATOM 893 CA SER A 55 16.628 7.937 8.990 1.00 0.00 C ATOM 894 C SER A 55 15.955 7.008 7.988 1.00 0.00 C ATOM 895 O SER A 55 16.511 5.976 7.614 1.00 0.00 O ATOM 896 CB SER A 55 17.579 8.872 8.267 1.00 0.00 C ATOM 897 OG SER A 55 16.932 9.525 7.209 1.00 0.00 O ATOM 0 H SER A 55 17.942 6.440 9.643 1.00 0.00 H new ATOM 0 HA SER A 55 15.854 8.521 9.487 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.973 9.608 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 55 18.430 8.308 7.885 1.00 0.00 H new ATOM 0 HG SER A 55 17.564 10.124 6.759 1.00 0.00 H new ATOM 903 N VAL A 56 14.754 7.380 7.558 1.00 0.00 N ATOM 904 CA VAL A 56 14.002 6.580 6.599 1.00 0.00 C ATOM 905 C VAL A 56 13.535 7.426 5.421 1.00 0.00 C ATOM 906 O VAL A 56 12.859 8.439 5.601 1.00 0.00 O ATOM 907 CB VAL A 56 12.780 5.937 7.282 1.00 0.00 C ATOM 908 CG1 VAL A 56 11.962 5.145 6.273 1.00 0.00 C ATOM 909 CG2 VAL A 56 13.236 5.045 8.426 1.00 0.00 C ATOM 0 H VAL A 56 14.280 8.232 7.859 1.00 0.00 H new ATOM 0 HA VAL A 56 14.666 5.800 6.226 1.00 0.00 H new ATOM 0 HB VAL A 56 12.145 6.725 7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.103 4.697 6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.616 5.811 5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.580 4.358 5.840 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.367 4.594 8.904 1.00 0.00 H new ATOM 0 HG22 VAL A 56 13.885 4.260 8.039 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.783 5.641 9.156 1.00 0.00 H new ATOM 919 N ASN A 57 13.900 7.004 4.215 1.00 0.00 N ATOM 920 CA ASN A 57 13.495 7.706 3.003 1.00 0.00 C ATOM 921 C ASN A 57 13.985 9.149 3.013 1.00 0.00 C ATOM 922 O ASN A 57 13.238 10.070 2.682 1.00 0.00 O ATOM 923 CB ASN A 57 11.988 7.655 2.835 1.00 0.00 C ATOM 924 CG ASN A 57 11.549 8.020 1.444 1.00 0.00 C ATOM 925 OD1 ASN A 57 12.152 7.587 0.456 1.00 0.00 O ATOM 926 ND2 ASN A 57 10.509 8.809 1.348 1.00 0.00 N ATOM 0 H ASN A 57 14.476 6.178 4.051 1.00 0.00 H new ATOM 0 HA ASN A 57 13.955 7.202 2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.633 6.652 3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.523 8.335 3.549 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.165 9.090 0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.042 9.142 2.191 1.00 0.00 H new ATOM 933 N LYS A 58 15.243 9.339 3.394 1.00 0.00 N ATOM 934 CA LYS A 58 15.843 10.667 3.420 1.00 0.00 C ATOM 935 C LYS A 58 15.145 11.567 4.432 1.00 0.00 C ATOM 936 O LYS A 58 15.003 12.770 4.212 1.00 0.00 O ATOM 937 CB LYS A 58 15.798 11.304 2.030 1.00 0.00 C ATOM 938 CG LYS A 58 16.302 10.404 0.910 1.00 0.00 C ATOM 939 CD LYS A 58 17.760 10.024 1.119 1.00 0.00 C ATOM 940 CE LYS A 58 18.311 9.261 -0.076 1.00 0.00 C ATOM 941 NZ LYS A 58 19.663 8.701 0.196 1.00 0.00 N ATOM 0 H LYS A 58 15.868 8.589 3.689 1.00 0.00 H new ATOM 0 HA LYS A 58 16.884 10.556 3.724 1.00 0.00 H new ATOM 0 HB2 LYS A 58 14.771 11.596 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 58 16.394 12.217 2.042 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.692 9.502 0.863 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.191 10.914 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 58 18.352 10.924 1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.853 9.413 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.629 8.452 -0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 58 18.360 9.925 -0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.002 8.189 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 20.321 9.475 0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.612 8.047 1.003 1.00 0.00 H new ATOM 955 N GLU A 59 14.710 10.977 5.540 1.00 0.00 N ATOM 956 CA GLU A 59 14.019 11.724 6.584 1.00 0.00 C ATOM 957 C GLU A 59 14.412 11.226 7.969 1.00 0.00 C ATOM 958 O GLU A 59 14.184 10.066 8.310 1.00 0.00 O ATOM 959 CB GLU A 59 12.503 11.614 6.404 1.00 0.00 C ATOM 960 CG GLU A 59 11.690 12.407 7.418 1.00 0.00 C ATOM 961 CD GLU A 59 10.210 12.335 7.166 1.00 0.00 C ATOM 962 OE1 GLU A 59 9.818 11.695 6.220 1.00 0.00 O ATOM 963 OE2 GLU A 59 9.470 12.921 7.920 1.00 0.00 O ATOM 0 H GLU A 59 14.824 9.983 5.738 1.00 0.00 H new ATOM 0 HA GLU A 59 14.316 12.769 6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 59 12.243 11.954 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.217 10.564 6.468 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.902 12.032 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.007 13.450 7.395 1.00 0.00 H new ATOM 970 N GLU A 60 15.004 12.111 8.764 1.00 0.00 N ATOM 971 CA GLU A 60 15.448 11.758 10.107 1.00 0.00 C ATOM 972 C GLU A 60 14.275 11.328 10.979 1.00 0.00 C ATOM 973 O GLU A 60 13.263 12.024 11.062 1.00 0.00 O ATOM 974 CB GLU A 60 16.172 12.939 10.757 1.00 0.00 C ATOM 975 CG GLU A 60 16.796 12.627 12.110 1.00 0.00 C ATOM 976 CD GLU A 60 17.581 13.779 12.673 1.00 0.00 C ATOM 977 OE1 GLU A 60 17.578 14.825 12.070 1.00 0.00 O ATOM 978 OE2 GLU A 60 18.183 13.613 13.707 1.00 0.00 O ATOM 0 H GLU A 60 15.187 13.079 8.501 1.00 0.00 H new ATOM 0 HA GLU A 60 16.138 10.919 10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.954 13.286 10.082 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.466 13.761 10.877 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.009 12.353 12.813 1.00 0.00 H new ATOM 0 HG3 GLU A 60 17.451 11.761 12.011 1.00 0.00 H new ATOM 985 N VAL A 61 14.417 10.177 11.627 1.00 0.00 N ATOM 986 CA VAL A 61 13.349 9.624 12.451 1.00 0.00 C ATOM 987 C VAL A 61 13.660 9.779 13.934 1.00 0.00 C ATOM 988 O VAL A 61 12.889 10.383 14.680 1.00 0.00 O ATOM 989 CB VAL A 61 13.140 8.133 12.126 1.00 0.00 C ATOM 990 CG1 VAL A 61 12.084 7.531 13.041 1.00 0.00 C ATOM 991 CG2 VAL A 61 12.746 7.971 10.666 1.00 0.00 C ATOM 0 H VAL A 61 15.263 9.608 11.597 1.00 0.00 H new ATOM 0 HA VAL A 61 12.438 10.178 12.226 1.00 0.00 H new ATOM 0 HB VAL A 61 14.076 7.600 12.295 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.949 6.477 12.797 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.405 7.625 14.078 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.140 8.059 12.904 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.600 6.914 10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 61 11.819 8.513 10.477 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.536 8.370 10.030 1.00 0.00 H new ATOM 1001 N SER A 62 14.795 9.231 14.355 1.00 0.00 N ATOM 1002 CA SER A 62 15.173 9.240 15.764 1.00 0.00 C ATOM 1003 C SER A 62 16.655 8.937 15.938 1.00 0.00 C ATOM 1004 O SER A 62 17.354 8.632 14.971 1.00 0.00 O ATOM 1005 CB SER A 62 14.347 8.226 16.532 1.00 0.00 C ATOM 1006 OG SER A 62 14.709 6.918 16.186 1.00 0.00 O ATOM 0 H SER A 62 15.469 8.775 13.741 1.00 0.00 H new ATOM 0 HA SER A 62 14.979 10.238 16.158 1.00 0.00 H new ATOM 0 HB2 SER A 62 14.486 8.374 17.603 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.288 8.381 16.324 1.00 0.00 H new ATOM 0 HG SER A 62 14.164 6.282 16.695 1.00 0.00 H new ATOM 1012 N ARG A 63 17.130 9.023 17.176 1.00 0.00 N ATOM 1013 CA ARG A 63 18.530 8.753 17.480 1.00 0.00 C ATOM 1014 C ARG A 63 18.666 7.887 18.725 1.00 0.00 C ATOM 1015 O ARG A 63 17.784 7.874 19.583 1.00 0.00 O ATOM 1016 CB ARG A 63 19.294 10.053 17.684 1.00 0.00 C ATOM 1017 CG ARG A 63 19.275 11.000 16.494 1.00 0.00 C ATOM 1018 CD ARG A 63 20.127 12.194 16.729 1.00 0.00 C ATOM 1019 NE ARG A 63 19.976 13.183 15.674 1.00 0.00 N ATOM 1020 CZ ARG A 63 20.739 14.286 15.545 1.00 0.00 C ATOM 1021 NH1 ARG A 63 21.700 14.525 16.409 1.00 0.00 N ATOM 1022 NH2 ARG A 63 20.522 15.127 14.548 1.00 0.00 N ATOM 0 H ARG A 63 16.565 9.278 17.986 1.00 0.00 H new ATOM 0 HA ARG A 63 18.952 8.215 16.631 1.00 0.00 H new ATOM 0 HB2 ARG A 63 18.878 10.570 18.548 1.00 0.00 H new ATOM 0 HB3 ARG A 63 20.330 9.815 17.924 1.00 0.00 H new ATOM 0 HG2 ARG A 63 19.623 10.474 15.605 1.00 0.00 H new ATOM 0 HG3 ARG A 63 18.251 11.317 16.297 1.00 0.00 H new ATOM 0 HD2 ARG A 63 19.867 12.643 17.688 1.00 0.00 H new ATOM 0 HD3 ARG A 63 21.171 11.888 16.793 1.00 0.00 H new ATOM 0 HE ARG A 63 19.241 13.031 14.983 1.00 0.00 H new ATOM 0 HH11 ARG A 63 21.868 13.875 17.177 1.00 0.00 H new ATOM 0 HH12 ARG A 63 22.278 15.360 16.311 1.00 0.00 H new ATOM 0 HH21 ARG A 63 19.777 14.941 13.877 1.00 0.00 H new ATOM 0 HH22 ARG A 63 21.100 15.962 14.450 1.00 0.00 H new ATOM 1036 N GLU A 64 19.777 7.164 18.819 1.00 0.00 N ATOM 1037 CA GLU A 64 20.075 6.366 20.002 1.00 0.00 C ATOM 1038 C GLU A 64 21.572 6.336 20.284 1.00 0.00 C ATOM 1039 O GLU A 64 22.387 6.457 19.370 1.00 0.00 O ATOM 1040 CB GLU A 64 19.549 4.939 19.830 1.00 0.00 C ATOM 1041 CG GLU A 64 20.211 4.157 18.705 1.00 0.00 C ATOM 1042 CD GLU A 64 19.625 2.785 18.523 1.00 0.00 C ATOM 1043 OE1 GLU A 64 18.730 2.439 19.257 1.00 0.00 O ATOM 1044 OE2 GLU A 64 20.072 2.081 17.648 1.00 0.00 O ATOM 0 H GLU A 64 20.487 7.115 18.088 1.00 0.00 H new ATOM 0 HA GLU A 64 19.575 6.831 20.852 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.691 4.397 20.765 1.00 0.00 H new ATOM 0 HB3 GLU A 64 18.476 4.980 19.645 1.00 0.00 H new ATOM 0 HG2 GLU A 64 20.112 4.715 17.774 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.278 4.067 18.911 1.00 0.00 H new ATOM 1051 N ILE A 65 21.927 6.174 21.554 1.00 0.00 N ATOM 1052 CA ILE A 65 23.325 6.189 21.966 1.00 0.00 C ATOM 1053 C ILE A 65 23.953 4.807 21.837 1.00 0.00 C ATOM 1054 O ILE A 65 23.472 3.839 22.427 1.00 0.00 O ATOM 1055 CB ILE A 65 23.464 6.683 23.418 1.00 0.00 C ATOM 1056 CG1 ILE A 65 22.948 8.119 23.545 1.00 0.00 C ATOM 1057 CG2 ILE A 65 24.912 6.592 23.874 1.00 0.00 C ATOM 1058 CD1 ILE A 65 22.824 8.599 24.973 1.00 0.00 C ATOM 0 H ILE A 65 21.265 6.031 22.316 1.00 0.00 H new ATOM 0 HA ILE A 65 23.851 6.876 21.303 1.00 0.00 H new ATOM 0 HB ILE A 65 22.861 6.043 24.062 1.00 0.00 H new ATOM 0 HG12 ILE A 65 23.620 8.786 23.005 1.00 0.00 H new ATOM 0 HG13 ILE A 65 21.973 8.189 23.062 1.00 0.00 H new ATOM 0 HG21 ILE A 65 24.993 6.945 24.902 1.00 0.00 H new ATOM 0 HG22 ILE A 65 25.246 5.556 23.819 1.00 0.00 H new ATOM 0 HG23 ILE A 65 25.536 7.210 23.228 1.00 0.00 H new ATOM 0 HD11 ILE A 65 22.453 9.624 24.981 1.00 0.00 H new ATOM 0 HD12 ILE A 65 22.129 7.957 25.514 1.00 0.00 H new ATOM 0 HD13 ILE A 65 23.801 8.563 25.455 1.00 0.00 H new ATOM 1070 N VAL A 66 25.029 4.722 21.063 1.00 0.00 N ATOM 1071 CA VAL A 66 25.719 3.456 20.847 1.00 0.00 C ATOM 1072 C VAL A 66 26.671 3.145 21.995 1.00 0.00 C ATOM 1073 O VAL A 66 26.627 2.060 22.575 1.00 0.00 O ATOM 1074 CB VAL A 66 26.509 3.496 19.525 1.00 0.00 C ATOM 1075 CG1 VAL A 66 27.343 2.233 19.365 1.00 0.00 C ATOM 1076 CG2 VAL A 66 25.551 3.662 18.355 1.00 0.00 C ATOM 0 H VAL A 66 25.443 5.516 20.574 1.00 0.00 H new ATOM 0 HA VAL A 66 24.964 2.672 20.797 1.00 0.00 H new ATOM 0 HB VAL A 66 27.188 4.349 19.543 1.00 0.00 H new ATOM 0 HG11 VAL A 66 27.895 2.278 18.426 1.00 0.00 H new ATOM 0 HG12 VAL A 66 28.045 2.153 20.195 1.00 0.00 H new ATOM 0 HG13 VAL A 66 26.687 1.362 19.359 1.00 0.00 H new ATOM 0 HG21 VAL A 66 26.116 3.690 17.423 1.00 0.00 H new ATOM 0 HG22 VAL A 66 24.855 2.823 18.333 1.00 0.00 H new ATOM 0 HG23 VAL A 66 24.995 4.592 18.470 1.00 0.00 H new ATOM 1086 N SER A 67 27.532 4.104 22.318 1.00 0.00 N ATOM 1087 CA SER A 67 28.566 3.898 23.325 1.00 0.00 C ATOM 1088 C SER A 67 28.983 5.215 23.966 1.00 0.00 C ATOM 1089 O SER A 67 29.058 6.246 23.296 1.00 0.00 O ATOM 1090 CB SER A 67 29.774 3.224 22.703 1.00 0.00 C ATOM 1091 OG SER A 67 30.786 3.030 23.653 1.00 0.00 O ATOM 0 H SER A 67 27.534 5.033 21.896 1.00 0.00 H new ATOM 0 HA SER A 67 28.153 3.256 24.103 1.00 0.00 H new ATOM 0 HB2 SER A 67 29.481 2.264 22.278 1.00 0.00 H new ATOM 0 HB3 SER A 67 30.153 3.834 21.883 1.00 0.00 H new ATOM 0 HG SER A 67 31.553 2.593 23.229 1.00 0.00 H new ATOM 1097 N THR A 68 29.252 5.176 25.266 1.00 0.00 N ATOM 1098 CA THR A 68 29.721 6.354 25.987 1.00 0.00 C ATOM 1099 C THR A 68 30.907 6.016 26.881 1.00 0.00 C ATOM 1100 O THR A 68 30.896 5.009 27.590 1.00 0.00 O ATOM 1101 CB THR A 68 28.593 6.970 26.835 1.00 0.00 C ATOM 1102 OG1 THR A 68 27.495 7.329 25.987 1.00 0.00 O ATOM 1103 CG2 THR A 68 29.091 8.208 27.565 1.00 0.00 C ATOM 0 H THR A 68 29.153 4.341 25.843 1.00 0.00 H new ATOM 0 HA THR A 68 30.040 7.083 25.242 1.00 0.00 H new ATOM 0 HB THR A 68 28.267 6.233 27.570 1.00 0.00 H new ATOM 0 HG1 THR A 68 26.777 7.719 26.528 1.00 0.00 H new ATOM 0 HG21 THR A 68 28.281 8.630 28.159 1.00 0.00 H new ATOM 0 HG22 THR A 68 29.918 7.936 28.221 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.431 8.946 26.839 1.00 0.00 H new ATOM 1111 N SER A 69 31.931 6.862 26.843 1.00 0.00 N ATOM 1112 CA SER A 69 33.122 6.662 27.660 1.00 0.00 C ATOM 1113 C SER A 69 33.906 7.958 27.818 1.00 0.00 C ATOM 1114 O SER A 69 34.312 8.573 26.832 1.00 0.00 O ATOM 1115 CB SER A 69 34.006 5.598 27.040 1.00 0.00 C ATOM 1116 OG SER A 69 35.174 5.414 27.793 1.00 0.00 O ATOM 0 H SER A 69 31.960 7.694 26.254 1.00 0.00 H new ATOM 0 HA SER A 69 32.801 6.335 28.649 1.00 0.00 H new ATOM 0 HB2 SER A 69 33.459 4.658 26.976 1.00 0.00 H new ATOM 0 HB3 SER A 69 34.267 5.885 26.021 1.00 0.00 H new ATOM 0 HG SER A 69 35.727 4.722 27.375 1.00 0.00 H new ATOM 1122 N THR A 70 34.116 8.368 29.064 1.00 0.00 N ATOM 1123 CA THR A 70 34.813 9.616 29.352 1.00 0.00 C ATOM 1124 C THR A 70 36.300 9.377 29.580 1.00 0.00 C ATOM 1125 O THR A 70 36.687 8.572 30.427 1.00 0.00 O ATOM 1126 CB THR A 70 34.208 10.318 30.582 1.00 0.00 C ATOM 1127 OG1 THR A 70 32.827 10.613 30.336 1.00 0.00 O ATOM 1128 CG2 THR A 70 34.953 11.609 30.881 1.00 0.00 C ATOM 0 H THR A 70 33.813 7.854 29.891 1.00 0.00 H new ATOM 0 HA THR A 70 34.691 10.261 28.482 1.00 0.00 H new ATOM 0 HB THR A 70 34.297 9.653 31.441 1.00 0.00 H new ATOM 0 HG1 THR A 70 32.443 11.058 31.120 1.00 0.00 H new ATOM 0 HG21 THR A 70 34.511 12.091 31.753 1.00 0.00 H new ATOM 0 HG22 THR A 70 36.001 11.386 31.082 1.00 0.00 H new ATOM 0 HG23 THR A 70 34.882 12.277 30.023 1.00 0.00 H new ATOM 1136 N THR A 71 37.131 10.081 28.818 1.00 0.00 N ATOM 1137 CA THR A 71 38.576 10.025 29.006 1.00 0.00 C ATOM 1138 C THR A 71 39.052 11.124 29.947 1.00 0.00 C ATOM 1139 O THR A 71 38.918 12.311 29.649 1.00 0.00 O ATOM 1140 CB THR A 71 39.314 10.141 27.660 1.00 0.00 C ATOM 1141 OG1 THR A 71 38.953 9.039 26.817 1.00 0.00 O ATOM 1142 CG2 THR A 71 40.820 10.136 27.876 1.00 0.00 C ATOM 0 H THR A 71 36.828 10.697 28.064 1.00 0.00 H new ATOM 0 HA THR A 71 38.806 9.058 29.452 1.00 0.00 H new ATOM 0 HB THR A 71 39.027 11.080 27.186 1.00 0.00 H new ATOM 0 HG1 THR A 71 39.422 9.115 25.960 1.00 0.00 H new ATOM 0 HG21 THR A 71 41.326 10.219 26.914 1.00 0.00 H new ATOM 0 HG22 THR A 71 41.100 10.980 28.507 1.00 0.00 H new ATOM 0 HG23 THR A 71 41.115 9.206 28.362 1.00 0.00 H new ATOM 1150 N ALA A 72 39.608 10.722 31.085 1.00 0.00 N ATOM 1151 CA ALA A 72 40.012 11.669 32.117 1.00 0.00 C ATOM 1152 C ALA A 72 41.144 12.565 31.630 1.00 0.00 C ATOM 1153 O ALA A 72 42.074 12.103 30.970 1.00 0.00 O ATOM 1154 CB ALA A 72 40.429 10.930 33.380 1.00 0.00 C ATOM 0 H ALA A 72 39.789 9.745 31.316 1.00 0.00 H new ATOM 0 HA ALA A 72 39.155 12.303 32.346 1.00 0.00 H new ATOM 0 HB1 ALA A 72 40.728 11.651 34.141 1.00 0.00 H new ATOM 0 HB2 ALA A 72 39.591 10.339 33.749 1.00 0.00 H new ATOM 0 HB3 ALA A 72 41.267 10.270 33.156 1.00 0.00 H new ATOM 1160 N PRO A 73 41.058 13.850 31.959 1.00 0.00 N ATOM 1161 CA PRO A 73 42.099 14.804 31.598 1.00 0.00 C ATOM 1162 C PRO A 73 43.323 14.649 32.491 1.00 0.00 C ATOM 1163 O PRO A 73 43.260 14.010 33.541 1.00 0.00 O ATOM 1164 CB PRO A 73 41.414 16.158 31.809 1.00 0.00 C ATOM 1165 CG PRO A 73 40.460 15.914 32.928 1.00 0.00 C ATOM 1166 CD PRO A 73 39.938 14.524 32.679 1.00 0.00 C ATOM 0 HA PRO A 73 42.473 14.671 30.583 1.00 0.00 H new ATOM 0 HB2 PRO A 73 42.136 16.934 32.063 1.00 0.00 H new ATOM 0 HB3 PRO A 73 40.896 16.487 30.908 1.00 0.00 H new ATOM 0 HG2 PRO A 73 40.956 15.985 33.896 1.00 0.00 H new ATOM 0 HG3 PRO A 73 39.653 16.647 32.929 1.00 0.00 H new ATOM 0 HD2 PRO A 73 39.697 14.014 33.611 1.00 0.00 H new ATOM 0 HD3 PRO A 73 39.028 14.539 32.079 1.00 0.00 H new ATOM 1174 N SER A 74 44.437 15.238 32.068 1.00 0.00 N ATOM 1175 CA SER A 74 45.663 15.214 32.856 1.00 0.00 C ATOM 1176 C SER A 74 45.976 16.591 33.428 1.00 0.00 C ATOM 1177 O SER A 74 46.231 17.539 32.685 1.00 0.00 O ATOM 1178 CB SER A 74 46.822 14.735 32.005 1.00 0.00 C ATOM 1179 OG SER A 74 48.028 14.798 32.716 1.00 0.00 O ATOM 0 H SER A 74 44.515 15.738 31.183 1.00 0.00 H new ATOM 0 HA SER A 74 45.516 14.524 33.686 1.00 0.00 H new ATOM 0 HB2 SER A 74 46.640 13.710 31.681 1.00 0.00 H new ATOM 0 HB3 SER A 74 46.894 15.346 31.105 1.00 0.00 H new ATOM 0 HG SER A 74 48.675 15.338 32.216 1.00 0.00 H new ATOM 1185 N PRO A 75 45.956 16.695 34.753 1.00 0.00 N ATOM 1186 CA PRO A 75 46.342 17.926 35.431 1.00 0.00 C ATOM 1187 C PRO A 75 47.847 18.146 35.359 1.00 0.00 C ATOM 1188 O PRO A 75 48.620 17.192 35.272 1.00 0.00 O ATOM 1189 CB PRO A 75 45.873 17.689 36.870 1.00 0.00 C ATOM 1190 CG PRO A 75 45.988 16.214 37.053 1.00 0.00 C ATOM 1191 CD PRO A 75 45.574 15.638 35.725 1.00 0.00 C ATOM 0 HA PRO A 75 45.906 18.820 34.985 1.00 0.00 H new ATOM 0 HB2 PRO A 75 46.494 18.229 37.585 1.00 0.00 H new ATOM 0 HB3 PRO A 75 44.848 18.030 37.016 1.00 0.00 H new ATOM 0 HG2 PRO A 75 47.006 15.924 37.312 1.00 0.00 H new ATOM 0 HG3 PRO A 75 45.342 15.862 37.857 1.00 0.00 H new ATOM 0 HD2 PRO A 75 46.086 14.698 35.518 1.00 0.00 H new ATOM 0 HD3 PRO A 75 44.504 15.431 35.693 1.00 0.00 H new ATOM 1199 N ARG A 76 48.258 19.409 35.397 1.00 0.00 N ATOM 1200 CA ARG A 76 49.671 19.758 35.313 1.00 0.00 C ATOM 1201 C ARG A 76 50.285 19.910 36.699 1.00 0.00 C ATOM 1202 O ARG A 76 49.788 20.674 37.528 1.00 0.00 O ATOM 1203 CB ARG A 76 49.858 21.052 34.535 1.00 0.00 C ATOM 1204 CG ARG A 76 51.305 21.475 34.335 1.00 0.00 C ATOM 1205 CD ARG A 76 51.408 22.702 33.503 1.00 0.00 C ATOM 1206 NE ARG A 76 50.924 22.482 32.150 1.00 0.00 N ATOM 1207 CZ ARG A 76 51.611 21.838 31.187 1.00 0.00 C ATOM 1208 NH1 ARG A 76 52.808 21.357 31.442 1.00 0.00 N ATOM 1209 NH2 ARG A 76 51.082 21.689 29.985 1.00 0.00 N ATOM 0 H ARG A 76 47.631 20.209 35.486 1.00 0.00 H new ATOM 0 HA ARG A 76 50.178 18.946 34.792 1.00 0.00 H new ATOM 0 HB2 ARG A 76 49.388 20.942 33.558 1.00 0.00 H new ATOM 0 HB3 ARG A 76 49.330 21.851 35.055 1.00 0.00 H new ATOM 0 HG2 ARG A 76 51.770 21.653 35.305 1.00 0.00 H new ATOM 0 HG3 ARG A 76 51.859 20.665 33.860 1.00 0.00 H new ATOM 0 HD2 ARG A 76 50.835 23.505 33.967 1.00 0.00 H new ATOM 0 HD3 ARG A 76 52.447 23.031 33.468 1.00 0.00 H new ATOM 0 HE ARG A 76 49.999 22.841 31.913 1.00 0.00 H new ATOM 0 HH11 ARG A 76 53.217 21.471 32.370 1.00 0.00 H new ATOM 0 HH12 ARG A 76 53.328 20.869 30.712 1.00 0.00 H new ATOM 0 HH21 ARG A 76 50.153 22.062 29.787 1.00 0.00 H new ATOM 0 HH22 ARG A 76 51.602 21.201 29.256 1.00 0.00 H new ATOM 1223 N ILE A 77 51.366 19.179 36.946 1.00 0.00 N ATOM 1224 CA ILE A 77 52.100 19.296 38.200 1.00 0.00 C ATOM 1225 C ILE A 77 53.556 19.672 37.954 1.00 0.00 C ATOM 1226 O ILE A 77 54.299 18.928 37.314 1.00 0.00 O ATOM 1227 CB ILE A 77 52.037 17.980 38.998 1.00 0.00 C ATOM 1228 CG1 ILE A 77 50.582 17.596 39.280 1.00 0.00 C ATOM 1229 CG2 ILE A 77 52.818 18.108 40.297 1.00 0.00 C ATOM 1230 CD1 ILE A 77 50.422 16.225 39.898 1.00 0.00 C ATOM 0 H ILE A 77 51.754 18.498 36.293 1.00 0.00 H new ATOM 0 HA ILE A 77 51.627 20.088 38.780 1.00 0.00 H new ATOM 0 HB ILE A 77 52.492 17.190 38.401 1.00 0.00 H new ATOM 0 HG12 ILE A 77 50.143 18.338 39.946 1.00 0.00 H new ATOM 0 HG13 ILE A 77 50.019 17.632 38.347 1.00 0.00 H new ATOM 0 HG21 ILE A 77 52.763 17.169 40.849 1.00 0.00 H new ATOM 0 HG22 ILE A 77 53.860 18.337 40.074 1.00 0.00 H new ATOM 0 HG23 ILE A 77 52.391 18.909 40.901 1.00 0.00 H new ATOM 0 HD11 ILE A 77 49.364 16.024 40.069 1.00 0.00 H new ATOM 0 HD12 ILE A 77 50.830 15.472 39.224 1.00 0.00 H new ATOM 0 HD13 ILE A 77 50.956 16.189 40.848 1.00 0.00 H new ATOM 1242 N VAL A 78 53.957 20.831 38.465 1.00 0.00 N ATOM 1243 CA VAL A 78 55.318 21.318 38.282 1.00 0.00 C ATOM 1244 C VAL A 78 56.020 21.508 39.621 1.00 0.00 C ATOM 1245 O VAL A 78 55.462 22.096 40.547 1.00 0.00 O ATOM 1246 CB VAL A 78 55.309 22.655 37.517 1.00 0.00 C ATOM 1247 CG1 VAL A 78 56.726 23.186 37.356 1.00 0.00 C ATOM 1248 CG2 VAL A 78 54.645 22.471 36.161 1.00 0.00 C ATOM 0 H VAL A 78 53.357 21.451 39.010 1.00 0.00 H new ATOM 0 HA VAL A 78 55.862 20.570 37.705 1.00 0.00 H new ATOM 0 HB VAL A 78 54.737 23.386 38.089 1.00 0.00 H new ATOM 0 HG11 VAL A 78 56.701 24.131 36.813 1.00 0.00 H new ATOM 0 HG12 VAL A 78 57.169 23.344 38.339 1.00 0.00 H new ATOM 0 HG13 VAL A 78 57.324 22.464 36.800 1.00 0.00 H new ATOM 0 HG21 VAL A 78 54.642 23.420 35.625 1.00 0.00 H new ATOM 0 HG22 VAL A 78 55.197 21.730 35.583 1.00 0.00 H new ATOM 0 HG23 VAL A 78 53.619 22.131 36.301 1.00 0.00 H new ATOM 1258 N GLU A 79 57.246 21.005 39.717 1.00 0.00 N ATOM 1259 CA GLU A 79 58.033 21.135 40.937 1.00 0.00 C ATOM 1260 C GLU A 79 58.916 22.375 40.895 1.00 0.00 C ATOM 1261 O GLU A 79 59.455 22.730 39.847 1.00 0.00 O ATOM 1262 CB GLU A 79 58.897 19.889 41.149 1.00 0.00 C ATOM 1263 CG GLU A 79 58.108 18.601 41.334 1.00 0.00 C ATOM 1264 CD GLU A 79 58.990 17.397 41.520 1.00 0.00 C ATOM 1265 OE1 GLU A 79 60.186 17.545 41.457 1.00 0.00 O ATOM 1266 OE2 GLU A 79 58.465 16.328 41.727 1.00 0.00 O ATOM 0 H GLU A 79 57.716 20.503 38.964 1.00 0.00 H new ATOM 0 HA GLU A 79 57.339 21.237 41.771 1.00 0.00 H new ATOM 0 HB2 GLU A 79 59.563 19.773 40.294 1.00 0.00 H new ATOM 0 HB3 GLU A 79 59.527 20.044 42.025 1.00 0.00 H new ATOM 0 HG2 GLU A 79 57.453 18.703 42.199 1.00 0.00 H new ATOM 0 HG3 GLU A 79 57.467 18.445 40.466 1.00 0.00 H new ATOM 1273 N LYS A 80 59.060 23.033 42.041 1.00 0.00 N ATOM 1274 CA LYS A 80 59.911 24.212 42.146 1.00 0.00 C ATOM 1275 C LYS A 80 60.866 24.097 43.327 1.00 0.00 C ATOM 1276 O LYS A 80 60.439 23.941 44.471 1.00 0.00 O ATOM 1277 CB LYS A 80 59.061 25.476 42.278 1.00 0.00 C ATOM 1278 CG LYS A 80 59.862 26.769 42.344 1.00 0.00 C ATOM 1279 CD LYS A 80 58.948 27.982 42.431 1.00 0.00 C ATOM 1280 CE LYS A 80 59.748 29.274 42.522 1.00 0.00 C ATOM 1281 NZ LYS A 80 58.866 30.469 42.614 1.00 0.00 N ATOM 0 H LYS A 80 58.597 22.769 42.911 1.00 0.00 H new ATOM 0 HA LYS A 80 60.503 24.278 41.233 1.00 0.00 H new ATOM 0 HB2 LYS A 80 58.377 25.529 41.431 1.00 0.00 H new ATOM 0 HB3 LYS A 80 58.449 25.396 43.177 1.00 0.00 H new ATOM 0 HG2 LYS A 80 60.523 26.746 43.211 1.00 0.00 H new ATOM 0 HG3 LYS A 80 60.496 26.852 41.462 1.00 0.00 H new ATOM 0 HD2 LYS A 80 58.300 28.015 41.555 1.00 0.00 H new ATOM 0 HD3 LYS A 80 58.301 27.890 43.304 1.00 0.00 H new ATOM 0 HE2 LYS A 80 60.400 29.236 43.395 1.00 0.00 H new ATOM 0 HE3 LYS A 80 60.392 29.365 41.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 59.450 31.328 42.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 58.261 30.520 41.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 58.270 30.396 43.463 1.00 0.00 H new ATOM 1295 N GLY A 81 62.162 24.176 43.043 1.00 0.00 N ATOM 1296 CA GLY A 81 63.182 24.056 44.078 1.00 0.00 C ATOM 1297 C GLY A 81 63.013 25.129 45.145 1.00 0.00 C ATOM 1298 O GLY A 81 62.713 26.283 44.837 1.00 0.00 O ATOM 0 H GLY A 81 62.531 24.323 42.103 1.00 0.00 H new ATOM 0 HA2 GLY A 81 63.123 23.070 44.538 1.00 0.00 H new ATOM 0 HA3 GLY A 81 64.171 24.139 43.628 1.00 0.00 H new ATOM 1302 N THR A 82 63.208 24.743 46.402 1.00 0.00 N ATOM 1303 CA THR A 82 62.976 25.644 47.524 1.00 0.00 C ATOM 1304 C THR A 82 64.008 25.431 48.624 1.00 0.00 C ATOM 1305 O THR A 82 65.082 24.880 48.382 1.00 0.00 O ATOM 1306 CB THR A 82 61.560 25.458 48.101 1.00 0.00 C ATOM 1307 OG1 THR A 82 61.301 26.475 49.077 1.00 0.00 O ATOM 1308 CG2 THR A 82 61.424 24.090 48.751 1.00 0.00 C ATOM 0 H THR A 82 63.526 23.811 46.669 1.00 0.00 H new ATOM 0 HA THR A 82 63.072 26.662 47.145 1.00 0.00 H new ATOM 0 HB THR A 82 60.840 25.535 47.287 1.00 0.00 H new ATOM 0 HG1 THR A 82 60.336 26.534 49.240 1.00 0.00 H new ATOM 0 HG21 THR A 82 60.417 23.977 49.153 1.00 0.00 H new ATOM 0 HG22 THR A 82 61.607 23.314 48.008 1.00 0.00 H new ATOM 0 HG23 THR A 82 62.150 23.997 49.559 1.00 0.00 H new ATOM 1316 N LYS A 83 63.676 25.869 49.834 1.00 0.00 N ATOM 1317 CA LYS A 83 64.596 25.778 50.961 1.00 0.00 C ATOM 1318 C LYS A 83 64.612 24.372 51.547 1.00 0.00 C ATOM 1319 O LYS A 83 63.638 23.628 51.427 1.00 0.00 O ATOM 1320 CB LYS A 83 64.221 26.793 52.042 1.00 0.00 C ATOM 1321 CG LYS A 83 64.197 28.239 51.565 1.00 0.00 C ATOM 1322 CD LYS A 83 65.584 28.708 51.153 1.00 0.00 C ATOM 1323 CE LYS A 83 65.602 30.203 50.867 1.00 0.00 C ATOM 1324 NZ LYS A 83 66.931 30.660 50.376 1.00 0.00 N ATOM 0 H LYS A 83 62.775 26.291 50.059 1.00 0.00 H new ATOM 0 HA LYS A 83 65.597 26.006 50.593 1.00 0.00 H new ATOM 0 HB2 LYS A 83 63.238 26.537 52.438 1.00 0.00 H new ATOM 0 HB3 LYS A 83 64.929 26.707 52.866 1.00 0.00 H new ATOM 0 HG2 LYS A 83 63.513 28.335 50.722 1.00 0.00 H new ATOM 0 HG3 LYS A 83 63.815 28.880 52.360 1.00 0.00 H new ATOM 0 HD2 LYS A 83 66.297 28.479 51.945 1.00 0.00 H new ATOM 0 HD3 LYS A 83 65.906 28.162 50.266 1.00 0.00 H new ATOM 0 HE2 LYS A 83 64.840 30.439 50.124 1.00 0.00 H new ATOM 0 HE3 LYS A 83 65.343 30.749 51.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 66.911 31.689 50.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 67.660 30.427 51.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 67.152 30.183 49.479 1.00 0.00 H new