USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 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 63 THR OG1 : rot 180:sc=-0.000345 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 37 SER OG : rot -73:sc= 0.0746 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.751 K(o=0.83,f=-3.5!) USER MOD Set 3.1: A 38 GLN : amide:sc= 1.7 K(o=2.7,f=-11!) USER MOD Set 3.2: A 53 LYS NZ :NH3+ -177:sc= 1.02 (180deg=-0.311) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -127:sc= 0.926 (180deg=-0.0387) USER MOD Single : A 29 THR OG1 : rot 179:sc= 0.0847 USER MOD Single : A 33 GLN : amide:sc= -0.43 K(o=-0.43,f=-2.2) USER MOD Single : A 39 GLN : amide:sc=-0.000557 X(o=-0.00056,f=-0.00056) USER MOD Single : A 43 GLN : amide:sc= 0.0631 X(o=0.063,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= 0.249 (180deg=0.00903) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 50 ASN : amide:sc= -0.02 X(o=-0.02,f=-0.02) USER MOD Single : A 57 SER OG : rot 80:sc= 1.18 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.143 F(o=-1.6!,f=-0.14) USER MOD Single : A 69 GLN : amide:sc= 0.662 K(o=0.66,f=-0.044) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= 0.653 (180deg=0.576) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 8.043 -0.623 9.567 1.00 0.00 N ATOM 153 CA TYR A 23 7.014 -1.024 8.636 1.00 0.00 C ATOM 154 C TYR A 23 5.868 -0.033 8.693 1.00 0.00 C ATOM 155 O TYR A 23 5.382 0.384 9.754 1.00 0.00 O ATOM 156 CB TYR A 23 6.599 -2.464 8.951 1.00 0.00 C ATOM 157 CG TYR A 23 5.698 -2.957 7.843 1.00 0.00 C ATOM 158 CD1 TYR A 23 6.153 -3.453 6.607 1.00 0.00 C ATOM 159 CD2 TYR A 23 4.313 -2.917 8.069 1.00 0.00 C ATOM 160 CE1 TYR A 23 5.287 -3.845 5.566 1.00 0.00 C ATOM 161 CE2 TYR A 23 3.445 -3.461 7.112 1.00 0.00 C ATOM 162 CZ TYR A 23 3.910 -3.910 5.863 1.00 0.00 C ATOM 163 OH TYR A 23 3.022 -4.360 4.941 1.00 0.00 O ATOM 0 HA TYR A 23 7.378 -1.013 7.609 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.479 -3.102 9.036 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.080 -2.508 9.909 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.218 -3.537 6.448 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.920 -2.472 8.971 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.662 -4.085 4.582 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.392 -3.537 7.340 1.00 0.00 H new ATOM 0 HH TYR A 23 2.118 -4.337 5.319 1.00 0.00 H new ATOM 173 N TYR A 24 5.236 0.304 7.578 1.00 0.00 N ATOM 174 CA TYR A 24 4.016 1.056 7.324 1.00 0.00 C ATOM 175 C TYR A 24 2.738 0.487 7.924 1.00 0.00 C ATOM 176 O TYR A 24 1.924 -0.138 7.242 1.00 0.00 O ATOM 177 CB TYR A 24 4.001 1.528 5.880 1.00 0.00 C ATOM 178 CG TYR A 24 4.555 0.611 4.794 1.00 0.00 C ATOM 179 CD1 TYR A 24 3.860 -0.542 4.447 1.00 0.00 C ATOM 180 CD2 TYR A 24 5.804 0.900 4.247 1.00 0.00 C ATOM 181 CE1 TYR A 24 4.447 -1.459 3.573 1.00 0.00 C ATOM 182 CE2 TYR A 24 6.356 0.026 3.296 1.00 0.00 C ATOM 183 CZ TYR A 24 5.742 -1.226 3.080 1.00 0.00 C ATOM 184 OH TYR A 24 6.384 -2.024 2.176 1.00 0.00 O ATOM 0 H TYR A 24 5.636 0.006 6.688 1.00 0.00 H new ATOM 0 HA TYR A 24 4.034 1.966 7.923 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.968 1.758 5.620 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.557 2.464 5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.875 -0.727 4.850 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.341 1.786 4.551 1.00 0.00 H new ATOM 0 HE1 TYR A 24 3.907 -2.346 3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 24 7.237 0.308 2.739 1.00 0.00 H new ATOM 0 HH TYR A 24 7.272 -1.655 1.987 1.00 0.00 H new ATOM 194 N LYS A 25 2.605 0.738 9.220 1.00 0.00 N ATOM 195 CA LYS A 25 1.420 0.356 9.965 1.00 0.00 C ATOM 196 C LYS A 25 0.343 1.434 9.991 1.00 0.00 C ATOM 197 O LYS A 25 -0.799 1.055 10.227 1.00 0.00 O ATOM 198 CB LYS A 25 1.807 0.043 11.403 1.00 0.00 C ATOM 199 CG LYS A 25 2.780 -1.122 11.514 1.00 0.00 C ATOM 200 CD LYS A 25 3.220 -1.293 12.970 1.00 0.00 C ATOM 201 CE LYS A 25 4.327 -2.319 13.107 1.00 0.00 C ATOM 202 NZ LYS A 25 4.490 -2.577 14.552 1.00 0.00 N ATOM 0 H LYS A 25 3.315 1.211 9.780 1.00 0.00 H new ATOM 0 HA LYS A 25 1.006 -0.514 9.455 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.255 0.928 11.854 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.907 -0.186 11.975 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.308 -2.037 11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.649 -0.944 10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.562 -0.335 13.361 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.366 -1.597 13.575 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.072 -3.236 12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.255 -1.947 12.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.243 -3.279 14.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.744 -1.692 15.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.598 -2.942 14.942 1.00 0.00 H new ATOM 216 N ILE A 26 0.451 2.739 9.728 1.00 0.00 N ATOM 217 CA ILE A 26 -0.664 3.633 9.546 1.00 0.00 C ATOM 218 C ILE A 26 -1.504 3.174 8.379 1.00 0.00 C ATOM 219 O ILE A 26 -2.723 3.394 8.341 1.00 0.00 O ATOM 220 CB ILE A 26 -0.232 5.082 9.340 1.00 0.00 C ATOM 221 CG1 ILE A 26 0.527 5.442 8.056 1.00 0.00 C ATOM 222 CG2 ILE A 26 0.444 5.630 10.587 1.00 0.00 C ATOM 223 CD1 ILE A 26 1.944 4.881 8.020 1.00 0.00 C ATOM 0 H ILE A 26 1.354 3.205 9.635 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.251 3.604 10.464 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.179 5.594 9.169 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.028 5.066 7.196 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.570 6.527 7.959 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.742 6.664 10.414 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.251 5.588 11.426 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.326 5.031 10.816 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.427 5.171 7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.513 5.277 8.861 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.907 3.794 8.087 1.00 0.00 H new ATOM 235 N ILE A 27 -0.932 2.601 7.324 1.00 0.00 N ATOM 236 CA ILE A 27 -1.549 1.929 6.194 1.00 0.00 C ATOM 237 C ILE A 27 -2.263 0.668 6.666 1.00 0.00 C ATOM 238 O ILE A 27 -3.412 0.366 6.369 1.00 0.00 O ATOM 239 CB ILE A 27 -0.579 1.819 5.020 1.00 0.00 C ATOM 240 CG1 ILE A 27 -0.351 3.257 4.558 1.00 0.00 C ATOM 241 CG2 ILE A 27 -1.228 0.904 3.981 1.00 0.00 C ATOM 242 CD1 ILE A 27 0.864 3.314 3.627 1.00 0.00 C ATOM 0 H ILE A 27 0.084 2.598 7.235 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.354 2.523 5.760 1.00 0.00 H new ATOM 0 HB ILE A 27 0.391 1.377 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.236 3.627 4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.192 3.905 5.420 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.564 0.799 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.409 -0.076 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.175 1.336 3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.024 4.341 3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.747 2.962 4.160 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.687 2.680 2.758 1.00 0.00 H new ATOM 254 N LYS A 28 -1.569 -0.217 7.374 1.00 0.00 N ATOM 255 CA LYS A 28 -1.952 -1.537 7.842 1.00 0.00 C ATOM 256 C LYS A 28 -3.227 -1.627 8.645 1.00 0.00 C ATOM 257 O LYS A 28 -4.049 -2.516 8.398 1.00 0.00 O ATOM 258 CB LYS A 28 -0.849 -2.204 8.661 1.00 0.00 C ATOM 259 CG LYS A 28 -1.178 -3.600 9.181 1.00 0.00 C ATOM 260 CD LYS A 28 -0.122 -4.273 10.068 1.00 0.00 C ATOM 261 CE LYS A 28 -0.493 -5.670 10.541 1.00 0.00 C ATOM 262 NZ LYS A 28 -1.170 -5.584 11.840 1.00 0.00 N ATOM 0 H LYS A 28 -0.616 0.003 7.665 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.130 -2.058 6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.050 -2.265 8.048 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.612 -1.564 9.511 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.109 -3.542 9.745 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.364 -4.247 8.324 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.816 -4.327 9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.057 -3.643 10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.144 -6.152 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.402 -6.286 10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.696 -6.211 12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.132 -4.604 12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.163 -5.876 11.734 1.00 0.00 H new ATOM 276 N THR A 29 -3.376 -0.715 9.620 1.00 0.00 N ATOM 277 CA THR A 29 -4.504 -0.606 10.511 1.00 0.00 C ATOM 278 C THR A 29 -5.812 -0.442 9.744 1.00 0.00 C ATOM 279 O THR A 29 -6.766 -1.160 10.032 1.00 0.00 O ATOM 280 CB THR A 29 -4.246 0.496 11.532 1.00 0.00 C ATOM 281 OG1 THR A 29 -3.984 1.617 10.732 1.00 0.00 O ATOM 282 CG2 THR A 29 -3.090 0.292 12.510 1.00 0.00 C ATOM 0 H THR A 29 -2.667 -0.005 9.803 1.00 0.00 H new ATOM 0 HA THR A 29 -4.620 -1.536 11.067 1.00 0.00 H new ATOM 0 HB THR A 29 -5.106 0.559 12.199 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.826 2.397 11.304 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.022 1.151 13.177 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.265 -0.610 13.097 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.158 0.189 11.955 1.00 0.00 H new ATOM 290 N ALA A 30 -5.829 0.346 8.662 1.00 0.00 N ATOM 291 CA ALA A 30 -6.914 0.534 7.719 1.00 0.00 C ATOM 292 C ALA A 30 -7.150 -0.658 6.812 1.00 0.00 C ATOM 293 O ALA A 30 -8.299 -1.067 6.673 1.00 0.00 O ATOM 294 CB ALA A 30 -6.568 1.771 6.899 1.00 0.00 C ATOM 0 H ALA A 30 -5.015 0.908 8.413 1.00 0.00 H new ATOM 0 HA ALA A 30 -7.846 0.652 8.271 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.357 1.957 6.170 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.475 2.632 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.624 1.610 6.378 1.00 0.00 H new ATOM 300 N ARG A 31 -6.126 -1.212 6.143 1.00 0.00 N ATOM 301 CA ARG A 31 -6.288 -2.379 5.303 1.00 0.00 C ATOM 302 C ARG A 31 -6.835 -3.507 6.157 1.00 0.00 C ATOM 303 O ARG A 31 -7.344 -4.449 5.548 1.00 0.00 O ATOM 304 CB ARG A 31 -4.877 -2.663 4.802 1.00 0.00 C ATOM 305 CG ARG A 31 -4.264 -1.661 3.831 1.00 0.00 C ATOM 306 CD ARG A 31 -2.920 -2.000 3.202 1.00 0.00 C ATOM 307 NE ARG A 31 -2.967 -3.046 2.168 1.00 0.00 N ATOM 308 CZ ARG A 31 -1.886 -3.748 1.777 1.00 0.00 C ATOM 309 NH1 ARG A 31 -0.648 -3.457 2.177 1.00 0.00 N ATOM 310 NH2 ARG A 31 -2.063 -4.849 1.044 1.00 0.00 N ATOM 0 H ARG A 31 -5.171 -0.855 6.178 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.980 -2.253 4.470 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.220 -2.738 5.669 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.881 -3.641 4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.978 -1.500 3.024 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.156 -0.712 4.356 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.502 -1.094 2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.236 -2.318 3.989 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.863 -3.250 1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.487 -2.672 2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.138 -4.020 1.852 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.005 -5.146 0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.256 -5.394 0.739 1.00 0.00 H new ATOM 324 N GLU A 32 -6.759 -3.661 7.482 1.00 0.00 N ATOM 325 CA GLU A 32 -7.388 -4.668 8.307 1.00 0.00 C ATOM 326 C GLU A 32 -8.896 -4.374 8.365 1.00 0.00 C ATOM 327 O GLU A 32 -9.627 -5.355 8.444 1.00 0.00 O ATOM 328 CB GLU A 32 -6.696 -4.716 9.663 1.00 0.00 C ATOM 329 CG GLU A 32 -5.531 -5.694 9.732 1.00 0.00 C ATOM 330 CD GLU A 32 -4.715 -5.581 11.008 1.00 0.00 C ATOM 331 OE1 GLU A 32 -4.898 -4.646 11.819 1.00 0.00 O ATOM 332 OE2 GLU A 32 -3.882 -6.450 11.326 1.00 0.00 O ATOM 0 H GLU A 32 -6.202 -3.019 8.045 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.281 -5.669 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.334 -3.718 9.910 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.429 -4.986 10.423 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.915 -6.710 9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.877 -5.527 8.876 1.00 0.00 H new ATOM 339 N GLN A 33 -9.346 -3.151 8.645 1.00 0.00 N ATOM 340 CA GLN A 33 -10.733 -2.836 8.937 1.00 0.00 C ATOM 341 C GLN A 33 -11.520 -3.185 7.683 1.00 0.00 C ATOM 342 O GLN A 33 -12.523 -3.883 7.663 1.00 0.00 O ATOM 343 CB GLN A 33 -10.753 -1.318 9.163 1.00 0.00 C ATOM 344 CG GLN A 33 -10.147 -1.016 10.538 1.00 0.00 C ATOM 345 CD GLN A 33 -10.397 0.415 10.962 1.00 0.00 C ATOM 346 OE1 GLN A 33 -11.045 1.207 10.293 1.00 0.00 O ATOM 347 NE2 GLN A 33 -9.750 0.655 12.118 1.00 0.00 N ATOM 0 H GLN A 33 -8.735 -2.335 8.674 1.00 0.00 H new ATOM 0 HA GLN A 33 -11.148 -3.366 9.795 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.186 -0.812 8.381 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.775 -0.942 9.110 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.571 -1.694 11.279 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.074 -1.205 10.511 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.241 -0.097 12.583 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.769 1.588 12.529 1.00 0.00 H new ATOM 356 N LEU A 34 -10.971 -2.722 6.555 1.00 0.00 N ATOM 357 CA LEU A 34 -11.551 -2.930 5.238 1.00 0.00 C ATOM 358 C LEU A 34 -11.384 -4.318 4.661 1.00 0.00 C ATOM 359 O LEU A 34 -12.135 -4.714 3.760 1.00 0.00 O ATOM 360 CB LEU A 34 -10.691 -1.990 4.407 1.00 0.00 C ATOM 361 CG LEU A 34 -11.079 -0.529 4.604 1.00 0.00 C ATOM 362 CD1 LEU A 34 -10.105 0.267 3.725 1.00 0.00 C ATOM 363 CD2 LEU A 34 -12.469 -0.151 4.110 1.00 0.00 C ATOM 0 H LEU A 34 -10.102 -2.188 6.538 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.629 -2.773 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.643 -2.125 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.786 -2.250 3.353 1.00 0.00 H new ATOM 0 HG LEU A 34 -11.054 -0.329 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.322 1.332 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.082 0.077 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.218 -0.041 2.686 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.646 0.908 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.541 -0.348 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.216 -0.743 4.639 1.00 0.00 H new ATOM 375 N GLY A 35 -10.536 -5.112 5.325 1.00 0.00 N ATOM 376 CA GLY A 35 -10.280 -6.488 4.954 1.00 0.00 C ATOM 377 C GLY A 35 -9.757 -6.813 3.560 1.00 0.00 C ATOM 378 O GLY A 35 -9.665 -7.961 3.164 1.00 0.00 O ATOM 0 H GLY A 35 -10.008 -4.804 6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.565 -6.890 5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.211 -7.039 5.089 1.00 0.00 H new ATOM 382 N ILE A 36 -9.671 -5.734 2.766 1.00 0.00 N ATOM 383 CA ILE A 36 -9.303 -5.638 1.378 1.00 0.00 C ATOM 384 C ILE A 36 -8.017 -6.300 0.882 1.00 0.00 C ATOM 385 O ILE A 36 -6.969 -6.128 1.500 1.00 0.00 O ATOM 386 CB ILE A 36 -9.204 -4.185 0.914 1.00 0.00 C ATOM 387 CG1 ILE A 36 -8.319 -3.213 1.695 1.00 0.00 C ATOM 388 CG2 ILE A 36 -10.650 -3.741 0.681 1.00 0.00 C ATOM 389 CD1 ILE A 36 -8.153 -1.803 1.147 1.00 0.00 C ATOM 0 H ILE A 36 -9.886 -4.811 3.143 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.127 -6.210 0.951 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.610 -4.151 0.001 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.720 -3.134 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.327 -3.658 1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.663 -2.704 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.107 -4.375 -0.079 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.212 -3.828 1.611 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.500 -1.231 1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.713 -1.849 0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.127 -1.317 1.091 1.00 0.00 H new ATOM 401 N SER A 37 -8.089 -7.092 -0.190 1.00 0.00 N ATOM 402 CA SER A 37 -6.960 -7.742 -0.816 1.00 0.00 C ATOM 403 C SER A 37 -6.047 -6.756 -1.521 1.00 0.00 C ATOM 404 O SER A 37 -6.409 -5.586 -1.620 1.00 0.00 O ATOM 405 CB SER A 37 -7.455 -8.780 -1.824 1.00 0.00 C ATOM 406 OG SER A 37 -8.119 -8.224 -2.944 1.00 0.00 O ATOM 0 H SER A 37 -8.973 -7.299 -0.655 1.00 0.00 H new ATOM 0 HA SER A 37 -6.384 -8.223 -0.026 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.605 -9.367 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.132 -9.469 -1.318 1.00 0.00 H new ATOM 0 HG SER A 37 -9.004 -7.902 -2.673 1.00 0.00 H new ATOM 412 N GLN A 38 -4.943 -7.250 -2.079 1.00 0.00 N ATOM 413 CA GLN A 38 -4.227 -6.426 -3.041 1.00 0.00 C ATOM 414 C GLN A 38 -5.061 -5.980 -4.230 1.00 0.00 C ATOM 415 O GLN A 38 -4.995 -4.830 -4.667 1.00 0.00 O ATOM 416 CB GLN A 38 -3.002 -7.183 -3.542 1.00 0.00 C ATOM 417 CG GLN A 38 -2.001 -7.194 -2.395 1.00 0.00 C ATOM 418 CD GLN A 38 -0.597 -7.532 -2.871 1.00 0.00 C ATOM 419 OE1 GLN A 38 -0.467 -7.619 -4.091 1.00 0.00 O ATOM 420 NE2 GLN A 38 0.423 -7.799 -2.050 1.00 0.00 N ATOM 0 H GLN A 38 -4.543 -8.170 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.946 -5.517 -2.509 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.267 -8.199 -3.835 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.579 -6.697 -4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.995 -6.218 -1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.315 -7.921 -1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.299 -7.722 -1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.326 -8.080 -2.433 1.00 0.00 H new ATOM 429 N GLN A 39 -5.883 -6.803 -4.876 1.00 0.00 N ATOM 430 CA GLN A 39 -6.680 -6.474 -6.043 1.00 0.00 C ATOM 431 C GLN A 39 -7.674 -5.365 -5.754 1.00 0.00 C ATOM 432 O GLN A 39 -7.935 -4.553 -6.645 1.00 0.00 O ATOM 433 CB GLN A 39 -7.361 -7.748 -6.519 1.00 0.00 C ATOM 434 CG GLN A 39 -8.148 -7.566 -7.803 1.00 0.00 C ATOM 435 CD GLN A 39 -7.157 -7.589 -8.952 1.00 0.00 C ATOM 436 OE1 GLN A 39 -6.807 -6.558 -9.533 1.00 0.00 O ATOM 437 NE2 GLN A 39 -6.703 -8.757 -9.419 1.00 0.00 N ATOM 0 H GLN A 39 -6.014 -7.770 -4.579 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.038 -6.087 -6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.606 -8.520 -6.670 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.032 -8.106 -5.738 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.885 -8.361 -7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.695 -6.623 -7.787 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.973 -9.628 -8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.087 -8.777 -10.232 1.00 0.00 H new ATOM 446 N GLN A 40 -8.293 -5.384 -4.571 1.00 0.00 N ATOM 447 CA GLN A 40 -9.217 -4.360 -4.128 1.00 0.00 C ATOM 448 C GLN A 40 -8.571 -3.053 -3.733 1.00 0.00 C ATOM 449 O GLN A 40 -9.202 -2.001 -3.848 1.00 0.00 O ATOM 450 CB GLN A 40 -10.017 -4.900 -2.934 1.00 0.00 C ATOM 451 CG GLN A 40 -10.964 -6.069 -3.151 1.00 0.00 C ATOM 452 CD GLN A 40 -11.376 -6.679 -1.828 1.00 0.00 C ATOM 453 OE1 GLN A 40 -10.700 -7.503 -1.216 1.00 0.00 O ATOM 454 NE2 GLN A 40 -12.488 -6.173 -1.272 1.00 0.00 N ATOM 0 H GLN A 40 -8.157 -6.129 -3.888 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.853 -4.134 -4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.303 -5.193 -2.165 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.601 -4.074 -2.528 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.848 -5.731 -3.692 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.481 -6.825 -3.770 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.047 -5.489 -1.782 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.774 -6.472 -0.340 1.00 0.00 H new ATOM 463 N LEU A 41 -7.352 -3.083 -3.182 1.00 0.00 N ATOM 464 CA LEU A 41 -6.469 -1.942 -3.105 1.00 0.00 C ATOM 465 C LEU A 41 -6.076 -1.387 -4.479 1.00 0.00 C ATOM 466 O LEU A 41 -6.019 -0.179 -4.634 1.00 0.00 O ATOM 467 CB LEU A 41 -5.218 -2.321 -2.309 1.00 0.00 C ATOM 468 CG LEU A 41 -4.187 -1.213 -2.078 1.00 0.00 C ATOM 469 CD1 LEU A 41 -4.874 -0.165 -1.202 1.00 0.00 C ATOM 470 CD2 LEU A 41 -2.890 -1.727 -1.484 1.00 0.00 C ATOM 0 H LEU A 41 -6.954 -3.928 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.014 -1.146 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.535 -2.699 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.723 -3.144 -2.825 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.876 -0.774 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.182 0.654 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.754 0.220 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.177 -0.621 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.199 -0.895 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.092 -2.198 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.445 -2.458 -2.159 1.00 0.00 H new ATOM 482 N ALA A 42 -5.743 -2.203 -5.484 1.00 0.00 N ATOM 483 CA ALA A 42 -5.522 -1.799 -6.851 1.00 0.00 C ATOM 484 C ALA A 42 -6.724 -1.061 -7.415 1.00 0.00 C ATOM 485 O ALA A 42 -6.544 -0.097 -8.142 1.00 0.00 O ATOM 486 CB ALA A 42 -5.079 -3.028 -7.643 1.00 0.00 C ATOM 0 H ALA A 42 -5.618 -3.206 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.719 -1.065 -6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.905 -2.748 -8.682 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.158 -3.424 -7.215 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.857 -3.790 -7.598 1.00 0.00 H new ATOM 492 N GLN A 43 -7.939 -1.536 -7.075 1.00 0.00 N ATOM 493 CA GLN A 43 -9.156 -0.831 -7.371 1.00 0.00 C ATOM 494 C GLN A 43 -9.395 0.498 -6.674 1.00 0.00 C ATOM 495 O GLN A 43 -10.076 1.374 -7.202 1.00 0.00 O ATOM 496 CB GLN A 43 -10.388 -1.701 -7.121 1.00 0.00 C ATOM 497 CG GLN A 43 -10.420 -2.807 -8.167 1.00 0.00 C ATOM 498 CD GLN A 43 -11.356 -3.939 -7.790 1.00 0.00 C ATOM 499 OE1 GLN A 43 -12.570 -3.864 -7.974 1.00 0.00 O ATOM 500 NE2 GLN A 43 -10.838 -5.057 -7.271 1.00 0.00 N ATOM 0 H GLN A 43 -8.081 -2.421 -6.588 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.008 -0.596 -8.425 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.353 -2.129 -6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -11.295 -1.099 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.730 -2.388 -9.124 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.413 -3.203 -8.303 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.833 -5.129 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.448 -5.838 -7.031 1.00 0.00 H new ATOM 509 N LYS A 44 -8.919 0.666 -5.440 1.00 0.00 N ATOM 510 CA LYS A 44 -9.022 1.848 -4.602 1.00 0.00 C ATOM 511 C LYS A 44 -8.239 2.964 -5.278 1.00 0.00 C ATOM 512 O LYS A 44 -8.193 4.114 -4.866 1.00 0.00 O ATOM 513 CB LYS A 44 -8.626 1.588 -3.136 1.00 0.00 C ATOM 514 CG LYS A 44 -8.406 2.756 -2.198 1.00 0.00 C ATOM 515 CD LYS A 44 -9.704 3.413 -1.741 1.00 0.00 C ATOM 516 CE LYS A 44 -9.265 4.663 -0.984 1.00 0.00 C ATOM 517 NZ LYS A 44 -10.150 5.046 0.124 1.00 0.00 N ATOM 0 H LYS A 44 -8.412 -0.084 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.064 2.156 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.400 0.959 -2.697 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.707 1.002 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.853 2.412 -1.324 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.785 3.501 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.338 3.668 -2.590 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.281 2.745 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.261 4.501 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.202 5.494 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.652 5.707 0.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.002 5.506 -0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.424 4.197 0.659 1.00 0.00 H new ATOM 531 N LEU A 45 -7.398 2.654 -6.272 1.00 0.00 N ATOM 532 CA LEU A 45 -6.241 3.350 -6.782 1.00 0.00 C ATOM 533 C LEU A 45 -6.193 3.469 -8.290 1.00 0.00 C ATOM 534 O LEU A 45 -5.410 4.250 -8.833 1.00 0.00 O ATOM 535 CB LEU A 45 -4.989 2.742 -6.142 1.00 0.00 C ATOM 536 CG LEU A 45 -3.686 3.531 -6.144 1.00 0.00 C ATOM 537 CD1 LEU A 45 -3.799 4.958 -5.614 1.00 0.00 C ATOM 538 CD2 LEU A 45 -2.584 2.826 -5.339 1.00 0.00 C ATOM 0 H LEU A 45 -7.546 1.792 -6.797 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.303 4.398 -6.487 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.231 2.514 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.796 1.792 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.429 3.582 -7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.822 5.440 -5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.506 5.519 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.150 4.936 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.673 3.424 -5.368 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.908 2.708 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.388 1.845 -5.772 1.00 0.00 H new ATOM 550 N LYS A 46 -7.157 2.845 -8.969 1.00 0.00 N ATOM 551 CA LYS A 46 -7.431 2.781 -10.388 1.00 0.00 C ATOM 552 C LYS A 46 -6.332 2.127 -11.212 1.00 0.00 C ATOM 553 O LYS A 46 -6.241 2.568 -12.347 1.00 0.00 O ATOM 554 CB LYS A 46 -7.818 4.192 -10.809 1.00 0.00 C ATOM 555 CG LYS A 46 -9.235 4.464 -10.304 1.00 0.00 C ATOM 556 CD LYS A 46 -9.698 5.859 -10.710 1.00 0.00 C ATOM 557 CE LYS A 46 -9.748 6.048 -12.227 1.00 0.00 C ATOM 558 NZ LYS A 46 -10.551 7.220 -12.627 1.00 0.00 N ATOM 0 H LYS A 46 -7.852 2.302 -8.457 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.258 2.101 -10.593 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.120 4.919 -10.394 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.774 4.292 -11.894 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.919 3.717 -10.708 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.263 4.368 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.688 6.044 -10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.026 6.600 -10.278 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.733 6.160 -12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.165 5.152 -12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.552 7.302 -13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.527 7.104 -12.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.140 8.080 -12.212 1.00 0.00 H new ATOM 572 N VAL A 47 -5.514 1.206 -10.687 1.00 0.00 N ATOM 573 CA VAL A 47 -4.249 0.703 -11.176 1.00 0.00 C ATOM 574 C VAL A 47 -4.180 -0.806 -11.082 1.00 0.00 C ATOM 575 O VAL A 47 -5.070 -1.412 -10.487 1.00 0.00 O ATOM 576 CB VAL A 47 -3.074 1.118 -10.311 1.00 0.00 C ATOM 577 CG1 VAL A 47 -2.834 2.585 -10.685 1.00 0.00 C ATOM 578 CG2 VAL A 47 -3.265 1.161 -8.796 1.00 0.00 C ATOM 0 H VAL A 47 -5.763 0.751 -9.809 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.192 1.096 -12.191 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.298 0.375 -10.496 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.997 2.976 -10.107 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.605 2.657 -11.748 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.729 3.167 -10.466 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.336 1.475 -8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.056 1.869 -8.549 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.540 0.170 -8.436 1.00 0.00 H new ATOM 588 N SER A 48 -3.119 -1.492 -11.510 1.00 0.00 N ATOM 589 CA SER A 48 -2.930 -2.919 -11.410 1.00 0.00 C ATOM 590 C SER A 48 -2.278 -3.407 -10.113 1.00 0.00 C ATOM 591 O SER A 48 -1.585 -2.658 -9.437 1.00 0.00 O ATOM 592 CB SER A 48 -1.974 -3.388 -12.497 1.00 0.00 C ATOM 593 OG SER A 48 -0.780 -2.639 -12.426 1.00 0.00 O ATOM 0 H SER A 48 -2.329 -1.029 -11.960 1.00 0.00 H new ATOM 0 HA SER A 48 -3.943 -3.316 -11.479 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.758 -4.449 -12.374 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.434 -3.268 -13.478 1.00 0.00 H new ATOM 0 HG SER A 48 -0.162 -2.941 -13.124 1.00 0.00 H new ATOM 599 N GLU A 49 -2.381 -4.699 -9.775 1.00 0.00 N ATOM 600 CA GLU A 49 -1.583 -5.294 -8.725 1.00 0.00 C ATOM 601 C GLU A 49 -0.081 -5.279 -9.011 1.00 0.00 C ATOM 602 O GLU A 49 0.709 -5.429 -8.071 1.00 0.00 O ATOM 603 CB GLU A 49 -2.002 -6.723 -8.382 1.00 0.00 C ATOM 604 CG GLU A 49 -3.342 -6.818 -7.670 1.00 0.00 C ATOM 605 CD GLU A 49 -3.705 -8.278 -7.441 1.00 0.00 C ATOM 606 OE1 GLU A 49 -3.745 -9.037 -8.436 1.00 0.00 O ATOM 607 OE2 GLU A 49 -3.915 -8.666 -6.271 1.00 0.00 O ATOM 0 H GLU A 49 -3.022 -5.350 -10.228 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.778 -4.652 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.047 -7.308 -9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.235 -7.175 -7.753 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.295 -6.292 -6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.115 -6.331 -8.265 1.00 0.00 H new ATOM 614 N ASN A 50 0.362 -5.060 -10.252 1.00 0.00 N ATOM 615 CA ASN A 50 1.774 -4.870 -10.512 1.00 0.00 C ATOM 616 C ASN A 50 2.332 -3.543 -10.031 1.00 0.00 C ATOM 617 O ASN A 50 3.557 -3.449 -9.864 1.00 0.00 O ATOM 618 CB ASN A 50 1.961 -5.094 -12.007 1.00 0.00 C ATOM 619 CG ASN A 50 3.439 -5.151 -12.380 1.00 0.00 C ATOM 620 OD1 ASN A 50 3.971 -4.298 -13.089 1.00 0.00 O ATOM 621 ND2 ASN A 50 4.119 -6.246 -12.058 1.00 0.00 N ATOM 0 H ASN A 50 -0.236 -5.012 -11.077 1.00 0.00 H new ATOM 0 HA ASN A 50 2.355 -5.585 -9.930 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.474 -6.024 -12.301 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.475 -4.291 -12.561 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.072 -6.373 -12.398 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.688 -6.960 -11.471 1.00 0.00 H new ATOM 628 N ILE A 51 1.496 -2.521 -9.852 1.00 0.00 N ATOM 629 CA ILE A 51 1.670 -1.278 -9.146 1.00 0.00 C ATOM 630 C ILE A 51 1.679 -1.357 -7.631 1.00 0.00 C ATOM 631 O ILE A 51 2.335 -0.565 -6.954 1.00 0.00 O ATOM 632 CB ILE A 51 0.771 -0.190 -9.734 1.00 0.00 C ATOM 633 CG1 ILE A 51 1.307 0.151 -11.120 1.00 0.00 C ATOM 634 CG2 ILE A 51 0.759 1.046 -8.844 1.00 0.00 C ATOM 635 CD1 ILE A 51 0.573 1.285 -11.827 1.00 0.00 C ATOM 0 H ILE A 51 0.561 -2.565 -10.258 1.00 0.00 H new ATOM 0 HA ILE A 51 2.702 -0.979 -9.328 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.257 -0.547 -9.800 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.360 0.418 -11.032 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.256 -0.741 -11.744 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.112 1.805 -9.284 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.385 0.779 -7.856 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.771 1.440 -8.754 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.024 1.456 -12.805 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.476 1.017 -11.953 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.646 2.194 -11.230 1.00 0.00 H new ATOM 647 N VAL A 52 0.864 -2.241 -7.048 1.00 0.00 N ATOM 648 CA VAL A 52 0.755 -2.332 -5.603 1.00 0.00 C ATOM 649 C VAL A 52 1.896 -3.141 -4.996 1.00 0.00 C ATOM 650 O VAL A 52 2.564 -2.599 -4.129 1.00 0.00 O ATOM 651 CB VAL A 52 -0.677 -2.661 -5.188 1.00 0.00 C ATOM 652 CG1 VAL A 52 -1.785 -1.987 -5.996 1.00 0.00 C ATOM 653 CG2 VAL A 52 -0.926 -4.144 -5.012 1.00 0.00 C ATOM 0 H VAL A 52 0.275 -2.898 -7.559 1.00 0.00 H new ATOM 0 HA VAL A 52 0.918 -1.359 -5.140 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.746 -2.197 -4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.756 -2.296 -5.610 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.689 -0.904 -5.912 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.701 -2.279 -7.043 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.963 -4.306 -4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.731 -4.660 -5.952 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.264 -4.535 -4.240 1.00 0.00 H new ATOM 663 N LYS A 53 2.254 -4.355 -5.449 1.00 0.00 N ATOM 664 CA LYS A 53 3.439 -5.130 -5.192 1.00 0.00 C ATOM 665 C LYS A 53 4.778 -4.412 -5.074 1.00 0.00 C ATOM 666 O LYS A 53 5.697 -4.971 -4.488 1.00 0.00 O ATOM 667 CB LYS A 53 3.559 -6.196 -6.263 1.00 0.00 C ATOM 668 CG LYS A 53 2.544 -7.259 -5.867 1.00 0.00 C ATOM 669 CD LYS A 53 2.420 -8.366 -6.905 1.00 0.00 C ATOM 670 CE LYS A 53 1.523 -9.491 -6.415 1.00 0.00 C ATOM 671 NZ LYS A 53 0.110 -9.112 -6.224 1.00 0.00 N ATOM 0 H LYS A 53 1.630 -4.860 -6.079 1.00 0.00 H new ATOM 0 HA LYS A 53 3.271 -5.512 -4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.342 -5.790 -7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.568 -6.607 -6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.833 -7.694 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.570 -6.791 -5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.017 -7.955 -7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.409 -8.762 -7.136 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.571 -10.313 -7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.916 -9.866 -5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.418 -9.922 -5.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.051 -8.315 -5.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.301 -8.831 -7.137 1.00 0.00 H new ATOM 685 N ARG A 54 4.937 -3.257 -5.741 1.00 0.00 N ATOM 686 CA ARG A 54 6.120 -2.429 -5.675 1.00 0.00 C ATOM 687 C ARG A 54 6.626 -2.395 -4.246 1.00 0.00 C ATOM 688 O ARG A 54 7.687 -2.962 -3.990 1.00 0.00 O ATOM 689 CB ARG A 54 5.721 -1.038 -6.179 1.00 0.00 C ATOM 690 CG ARG A 54 5.437 -1.136 -7.673 1.00 0.00 C ATOM 691 CD ARG A 54 5.215 0.265 -8.234 1.00 0.00 C ATOM 692 NE ARG A 54 5.160 0.241 -9.706 1.00 0.00 N ATOM 693 CZ ARG A 54 4.856 1.297 -10.481 1.00 0.00 C ATOM 694 NH1 ARG A 54 4.466 2.484 -10.010 1.00 0.00 N ATOM 695 NH2 ARG A 54 4.998 1.231 -11.803 1.00 0.00 N ATOM 0 H ARG A 54 4.217 -2.876 -6.355 1.00 0.00 H new ATOM 0 HA ARG A 54 6.930 -2.817 -6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.840 -0.679 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.520 -0.322 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.271 -1.617 -8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.557 -1.755 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.286 0.676 -7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.020 0.923 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 54 5.368 -0.642 -10.172 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.383 2.631 -9.004 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.251 3.243 -10.656 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.340 0.374 -12.237 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.765 2.038 -12.382 1.00 0.00 H new ATOM 709 N PHE A 55 5.857 -2.013 -3.220 1.00 0.00 N ATOM 710 CA PHE A 55 6.268 -1.966 -1.846 1.00 0.00 C ATOM 711 C PHE A 55 5.795 -3.171 -1.045 1.00 0.00 C ATOM 712 O PHE A 55 6.579 -3.672 -0.249 1.00 0.00 O ATOM 713 CB PHE A 55 5.783 -0.668 -1.220 1.00 0.00 C ATOM 714 CG PHE A 55 4.275 -0.611 -1.136 1.00 0.00 C ATOM 715 CD1 PHE A 55 3.690 -1.129 0.022 1.00 0.00 C ATOM 716 CD2 PHE A 55 3.460 -0.054 -2.121 1.00 0.00 C ATOM 717 CE1 PHE A 55 2.284 -1.194 0.084 1.00 0.00 C ATOM 718 CE2 PHE A 55 2.064 -0.099 -2.083 1.00 0.00 C ATOM 719 CZ PHE A 55 1.481 -0.613 -0.908 1.00 0.00 C ATOM 0 H PHE A 55 4.889 -1.718 -3.350 1.00 0.00 H new ATOM 0 HA PHE A 55 7.357 -2.001 -1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.206 -0.567 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.146 0.176 -1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.298 -1.470 0.847 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.933 0.438 -2.958 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.815 -1.702 0.913 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.462 0.243 -2.912 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.411 -0.559 -0.771 1.00 0.00 H new ATOM 729 N GLU A 56 4.631 -3.738 -1.379 1.00 0.00 N ATOM 730 CA GLU A 56 4.230 -5.015 -0.828 1.00 0.00 C ATOM 731 C GLU A 56 5.145 -6.228 -0.782 1.00 0.00 C ATOM 732 O GLU A 56 5.086 -6.999 0.181 1.00 0.00 O ATOM 733 CB GLU A 56 2.900 -5.395 -1.482 1.00 0.00 C ATOM 734 CG GLU A 56 1.726 -4.797 -0.699 1.00 0.00 C ATOM 735 CD GLU A 56 1.283 -5.644 0.493 1.00 0.00 C ATOM 736 OE1 GLU A 56 0.343 -6.449 0.386 1.00 0.00 O ATOM 737 OE2 GLU A 56 1.710 -5.285 1.604 1.00 0.00 O ATOM 0 H GLU A 56 3.959 -3.326 -2.027 1.00 0.00 H new ATOM 0 HA GLU A 56 4.217 -4.790 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.879 -5.036 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.804 -6.480 -1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.006 -3.805 -0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.880 -4.667 -1.374 1.00 0.00 H new ATOM 744 N SER A 57 6.096 -6.333 -1.702 1.00 0.00 N ATOM 745 CA SER A 57 6.934 -7.495 -1.908 1.00 0.00 C ATOM 746 C SER A 57 8.058 -7.620 -0.884 1.00 0.00 C ATOM 747 O SER A 57 8.705 -8.667 -0.808 1.00 0.00 O ATOM 748 CB SER A 57 7.575 -7.393 -3.294 1.00 0.00 C ATOM 749 OG SER A 57 6.655 -7.360 -4.368 1.00 0.00 O ATOM 0 H SER A 57 6.309 -5.575 -2.350 1.00 0.00 H new ATOM 0 HA SER A 57 6.293 -8.371 -1.806 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.188 -6.493 -3.331 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.245 -8.241 -3.433 1.00 0.00 H new ATOM 0 HG SER A 57 6.293 -6.454 -4.461 1.00 0.00 H new ATOM 755 N GLY A 58 8.223 -6.612 -0.025 1.00 0.00 N ATOM 756 CA GLY A 58 8.788 -6.865 1.283 1.00 0.00 C ATOM 757 C GLY A 58 10.292 -7.070 1.271 1.00 0.00 C ATOM 758 O GLY A 58 10.901 -7.331 2.305 1.00 0.00 O ATOM 0 H GLY A 58 7.978 -5.640 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.550 -6.028 1.939 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.313 -7.749 1.709 1.00 0.00 H new ATOM 762 N LYS A 59 10.951 -6.863 0.127 1.00 0.00 N ATOM 763 CA LYS A 59 12.359 -7.133 -0.066 1.00 0.00 C ATOM 764 C LYS A 59 13.276 -6.099 0.565 1.00 0.00 C ATOM 765 O LYS A 59 14.470 -6.201 0.339 1.00 0.00 O ATOM 766 CB LYS A 59 12.461 -7.160 -1.590 1.00 0.00 C ATOM 767 CG LYS A 59 11.515 -8.091 -2.336 1.00 0.00 C ATOM 768 CD LYS A 59 11.659 -9.502 -1.773 1.00 0.00 C ATOM 769 CE LYS A 59 10.624 -10.348 -2.514 1.00 0.00 C ATOM 770 NZ LYS A 59 10.646 -11.709 -1.987 1.00 0.00 N ATOM 0 H LYS A 59 10.497 -6.492 -0.708 1.00 0.00 H new ATOM 0 HA LYS A 59 12.687 -8.052 0.420 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.297 -6.147 -1.957 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.482 -7.433 -1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.486 -7.747 -2.230 1.00 0.00 H new ATOM 0 HG3 LYS A 59 11.744 -8.086 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.666 -9.887 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.479 -9.515 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.631 -9.915 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.841 -10.356 -3.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.943 -12.287 -2.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.592 -12.119 -2.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.419 -11.692 -0.972 1.00 0.00 H new ATOM 784 N LEU A 60 12.749 -5.130 1.334 1.00 0.00 N ATOM 785 CA LEU A 60 13.416 -3.917 1.749 1.00 0.00 C ATOM 786 C LEU A 60 13.109 -3.426 3.151 1.00 0.00 C ATOM 787 O LEU A 60 12.054 -3.746 3.689 1.00 0.00 O ATOM 788 CB LEU A 60 13.023 -2.741 0.845 1.00 0.00 C ATOM 789 CG LEU A 60 14.143 -1.746 0.557 1.00 0.00 C ATOM 790 CD1 LEU A 60 14.981 -2.200 -0.642 1.00 0.00 C ATOM 791 CD2 LEU A 60 13.579 -0.359 0.282 1.00 0.00 C ATOM 0 H LEU A 60 11.796 -5.190 1.693 1.00 0.00 H new ATOM 0 HA LEU A 60 14.466 -4.203 1.694 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.657 -3.137 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 60 12.194 -2.207 1.309 1.00 0.00 H new ATOM 0 HG LEU A 60 14.779 -1.703 1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 60 15.773 -1.475 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 60 15.423 -3.173 -0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 60 14.344 -2.276 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 60 14.397 0.333 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.916 -0.401 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.020 -0.015 1.152 1.00 0.00 H new ATOM 803 N LYS A 61 13.968 -2.520 3.646 1.00 0.00 N ATOM 804 CA LYS A 61 13.668 -1.728 4.814 1.00 0.00 C ATOM 805 C LYS A 61 13.163 -0.344 4.411 1.00 0.00 C ATOM 806 O LYS A 61 13.863 0.354 3.678 1.00 0.00 O ATOM 807 CB LYS A 61 14.943 -1.705 5.656 1.00 0.00 C ATOM 808 CG LYS A 61 14.684 -0.995 6.969 1.00 0.00 C ATOM 809 CD LYS A 61 15.946 -0.908 7.839 1.00 0.00 C ATOM 810 CE LYS A 61 16.969 0.069 7.282 1.00 0.00 C ATOM 811 NZ LYS A 61 18.277 -0.104 7.913 1.00 0.00 N ATOM 0 H LYS A 61 14.883 -2.328 3.238 1.00 0.00 H new ATOM 0 HA LYS A 61 12.858 -2.151 5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.282 -2.723 5.845 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.740 -1.199 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.312 0.010 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.902 -1.521 7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.668 -0.603 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.398 -1.897 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 61 17.062 -0.075 6.205 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.621 1.090 7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 18.950 0.578 7.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.193 0.057 8.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.620 -1.071 7.742 1.00 0.00 H new ATOM 825 N PRO A 62 12.003 0.124 4.874 1.00 0.00 N ATOM 826 CA PRO A 62 11.497 1.383 4.381 1.00 0.00 C ATOM 827 C PRO A 62 12.230 2.581 4.987 1.00 0.00 C ATOM 828 O PRO A 62 13.180 2.423 5.756 1.00 0.00 O ATOM 829 CB PRO A 62 10.031 1.334 4.801 1.00 0.00 C ATOM 830 CG PRO A 62 9.944 0.483 6.068 1.00 0.00 C ATOM 831 CD PRO A 62 11.107 -0.485 5.848 1.00 0.00 C ATOM 0 HA PRO A 62 11.636 1.511 3.308 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.652 2.339 4.987 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.419 0.904 4.008 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.067 1.077 6.973 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.988 -0.033 6.153 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.631 -0.675 6.785 1.00 0.00 H new ATOM 0 HD3 PRO A 62 10.743 -1.446 5.486 1.00 0.00 H new ATOM 839 N THR A 63 11.914 3.780 4.498 1.00 0.00 N ATOM 840 CA THR A 63 12.507 5.028 4.909 1.00 0.00 C ATOM 841 C THR A 63 11.485 6.141 5.111 1.00 0.00 C ATOM 842 O THR A 63 10.285 5.942 4.935 1.00 0.00 O ATOM 843 CB THR A 63 13.630 5.423 3.948 1.00 0.00 C ATOM 844 OG1 THR A 63 13.140 5.571 2.630 1.00 0.00 O ATOM 845 CG2 THR A 63 14.708 4.341 3.880 1.00 0.00 C ATOM 0 H THR A 63 11.206 3.900 3.774 1.00 0.00 H new ATOM 0 HA THR A 63 12.946 4.873 5.895 1.00 0.00 H new ATOM 0 HB THR A 63 14.038 6.360 4.327 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.875 5.825 2.034 1.00 0.00 H new ATOM 0 HG21 THR A 63 15.492 4.651 3.189 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.136 4.191 4.871 1.00 0.00 H new ATOM 0 HG23 THR A 63 14.265 3.408 3.531 1.00 0.00 H new ATOM 853 N ILE A 64 11.930 7.381 5.390 1.00 0.00 N ATOM 854 CA ILE A 64 11.136 8.577 5.563 1.00 0.00 C ATOM 855 C ILE A 64 10.391 8.971 4.290 1.00 0.00 C ATOM 856 O ILE A 64 9.174 9.139 4.299 1.00 0.00 O ATOM 857 CB ILE A 64 12.053 9.713 5.996 1.00 0.00 C ATOM 858 CG1 ILE A 64 12.684 9.418 7.352 1.00 0.00 C ATOM 859 CG2 ILE A 64 11.207 10.962 6.177 1.00 0.00 C ATOM 860 CD1 ILE A 64 13.818 10.371 7.695 1.00 0.00 C ATOM 0 H ILE A 64 12.926 7.569 5.505 1.00 0.00 H new ATOM 0 HA ILE A 64 10.382 8.376 6.324 1.00 0.00 H new ATOM 0 HB ILE A 64 12.830 9.835 5.241 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.918 9.479 8.125 1.00 0.00 H new ATOM 0 HG13 ILE A 64 13.061 8.395 7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 64 11.843 11.791 6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.721 11.212 5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 64 10.449 10.781 6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 64 14.228 10.112 8.671 1.00 0.00 H new ATOM 0 HD12 ILE A 64 14.600 10.292 6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 64 13.440 11.393 7.720 1.00 0.00 H new ATOM 872 N SER A 65 11.164 9.057 3.200 1.00 0.00 N ATOM 873 CA SER A 65 10.565 9.287 1.896 1.00 0.00 C ATOM 874 C SER A 65 9.631 8.193 1.414 1.00 0.00 C ATOM 875 O SER A 65 8.663 8.450 0.696 1.00 0.00 O ATOM 876 CB SER A 65 11.646 9.513 0.849 1.00 0.00 C ATOM 877 OG SER A 65 12.521 8.414 0.856 1.00 0.00 O ATOM 0 H SER A 65 12.180 8.972 3.201 1.00 0.00 H new ATOM 0 HA SER A 65 9.948 10.176 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.197 9.632 -0.137 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.192 10.432 1.063 1.00 0.00 H new ATOM 0 HG SER A 65 13.221 8.549 0.183 1.00 0.00 H new ATOM 883 N GLN A 66 9.813 6.898 1.747 1.00 0.00 N ATOM 884 CA GLN A 66 8.835 5.881 1.421 1.00 0.00 C ATOM 885 C GLN A 66 7.616 6.240 2.260 1.00 0.00 C ATOM 886 O GLN A 66 6.602 6.500 1.614 1.00 0.00 O ATOM 887 CB GLN A 66 9.501 4.521 1.574 1.00 0.00 C ATOM 888 CG GLN A 66 10.646 4.333 0.585 1.00 0.00 C ATOM 889 CD GLN A 66 11.265 2.940 0.609 1.00 0.00 C ATOM 890 OE1 GLN A 66 12.537 2.765 0.216 1.00 0.00 O flip ATOM 891 NE2 GLN A 66 10.723 1.872 0.867 1.00 0.00 N flip ATOM 0 H GLN A 66 10.634 6.548 2.241 1.00 0.00 H new ATOM 0 HA GLN A 66 8.470 5.829 0.395 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.879 4.414 2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.760 3.735 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.281 4.540 -0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.422 5.068 0.800 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.752 1.855 1.179 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.243 1.000 0.770 1.00 0.00 H new ATOM 900 N ALA A 67 7.701 6.204 3.586 1.00 0.00 N ATOM 901 CA ALA A 67 6.607 6.695 4.388 1.00 0.00 C ATOM 902 C ALA A 67 5.875 7.925 3.868 1.00 0.00 C ATOM 903 O ALA A 67 4.651 7.933 3.874 1.00 0.00 O ATOM 904 CB ALA A 67 7.292 6.928 5.744 1.00 0.00 C ATOM 0 H ALA A 67 8.500 5.847 4.110 1.00 0.00 H new ATOM 0 HA ALA A 67 5.779 5.986 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.563 7.308 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.704 5.987 6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.096 7.654 5.625 1.00 0.00 H new ATOM 910 N ARG A 68 6.662 8.877 3.356 1.00 0.00 N ATOM 911 CA ARG A 68 6.101 10.068 2.767 1.00 0.00 C ATOM 912 C ARG A 68 5.271 9.834 1.498 1.00 0.00 C ATOM 913 O ARG A 68 4.168 10.370 1.422 1.00 0.00 O ATOM 914 CB ARG A 68 7.151 11.139 2.507 1.00 0.00 C ATOM 915 CG ARG A 68 6.592 12.566 2.371 1.00 0.00 C ATOM 916 CD ARG A 68 7.622 13.555 1.864 1.00 0.00 C ATOM 917 NE ARG A 68 7.111 14.935 1.839 1.00 0.00 N ATOM 918 CZ ARG A 68 6.902 15.771 2.870 1.00 0.00 C ATOM 919 NH1 ARG A 68 7.059 15.370 4.134 1.00 0.00 N ATOM 920 NH2 ARG A 68 6.660 17.055 2.566 1.00 0.00 N ATOM 0 H ARG A 68 7.681 8.835 3.344 1.00 0.00 H new ATOM 0 HA ARG A 68 5.406 10.423 3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.876 11.123 3.321 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.691 10.886 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.741 12.554 1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.221 12.900 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.508 13.510 2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.934 13.268 0.860 1.00 0.00 H new ATOM 0 HE ARG A 68 6.885 15.306 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.343 14.411 4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.895 16.023 4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.642 17.353 1.591 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.494 17.733 3.310 1.00 0.00 H new ATOM 934 N GLN A 69 5.899 9.157 0.537 1.00 0.00 N ATOM 935 CA GLN A 69 5.253 9.028 -0.759 1.00 0.00 C ATOM 936 C GLN A 69 4.058 8.120 -0.601 1.00 0.00 C ATOM 937 O GLN A 69 3.061 8.371 -1.277 1.00 0.00 O ATOM 938 CB GLN A 69 6.275 8.410 -1.695 1.00 0.00 C ATOM 939 CG GLN A 69 7.361 9.406 -2.116 1.00 0.00 C ATOM 940 CD GLN A 69 8.635 8.807 -2.715 1.00 0.00 C ATOM 941 OE1 GLN A 69 8.948 8.937 -3.893 1.00 0.00 O ATOM 942 NE2 GLN A 69 9.429 8.117 -1.905 1.00 0.00 N ATOM 0 H GLN A 69 6.811 8.710 0.626 1.00 0.00 H new ATOM 0 HA GLN A 69 4.914 9.986 -1.154 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.741 7.554 -1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.768 8.032 -2.583 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.931 10.093 -2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.639 9.998 -1.244 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.180 8.002 -0.923 1.00 0.00 H new ATOM 0 HE22 GLN A 69 10.288 7.702 -2.265 1.00 0.00 H new ATOM 951 N LEU A 70 4.120 7.026 0.169 1.00 0.00 N ATOM 952 CA LEU A 70 3.143 5.990 0.446 1.00 0.00 C ATOM 953 C LEU A 70 1.829 6.521 1.001 1.00 0.00 C ATOM 954 O LEU A 70 0.805 6.323 0.339 1.00 0.00 O ATOM 955 CB LEU A 70 3.777 4.955 1.366 1.00 0.00 C ATOM 956 CG LEU A 70 4.533 3.789 0.724 1.00 0.00 C ATOM 957 CD1 LEU A 70 5.150 2.939 1.824 1.00 0.00 C ATOM 958 CD2 LEU A 70 3.534 2.984 -0.093 1.00 0.00 C ATOM 0 H LEU A 70 4.982 6.831 0.678 1.00 0.00 H new ATOM 0 HA LEU A 70 2.868 5.524 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.468 5.476 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.989 4.537 1.992 1.00 0.00 H new ATOM 0 HG LEU A 70 5.334 4.140 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.692 2.105 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.839 3.547 2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.362 2.555 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.043 2.143 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.746 2.610 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.096 3.620 -0.862 1.00 0.00 H new ATOM 970 N GLU A 71 1.913 7.137 2.186 1.00 0.00 N ATOM 971 CA GLU A 71 0.788 7.730 2.872 1.00 0.00 C ATOM 972 C GLU A 71 -0.055 8.584 1.930 1.00 0.00 C ATOM 973 O GLU A 71 -1.270 8.686 2.074 1.00 0.00 O ATOM 974 CB GLU A 71 1.331 8.563 4.035 1.00 0.00 C ATOM 975 CG GLU A 71 1.677 7.791 5.300 1.00 0.00 C ATOM 976 CD GLU A 71 1.874 8.766 6.449 1.00 0.00 C ATOM 977 OE1 GLU A 71 0.885 9.385 6.907 1.00 0.00 O ATOM 978 OE2 GLU A 71 3.056 8.928 6.822 1.00 0.00 O ATOM 0 H GLU A 71 2.791 7.233 2.696 1.00 0.00 H new ATOM 0 HA GLU A 71 0.131 6.945 3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.225 9.086 3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.593 9.324 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.880 7.087 5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.584 7.206 5.146 1.00 0.00 H new ATOM 985 N LYS A 72 0.586 9.168 0.921 1.00 0.00 N ATOM 986 CA LYS A 72 -0.065 10.060 -0.016 1.00 0.00 C ATOM 987 C LYS A 72 -0.930 9.305 -1.014 1.00 0.00 C ATOM 988 O LYS A 72 -2.129 9.595 -1.089 1.00 0.00 O ATOM 989 CB LYS A 72 0.998 10.932 -0.662 1.00 0.00 C ATOM 990 CG LYS A 72 1.331 12.078 0.302 1.00 0.00 C ATOM 991 CD LYS A 72 2.098 13.165 -0.437 1.00 0.00 C ATOM 992 CE LYS A 72 2.646 14.133 0.610 1.00 0.00 C ATOM 993 NZ LYS A 72 3.292 15.311 0.000 1.00 0.00 N ATOM 0 H LYS A 72 1.579 9.030 0.735 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.766 10.710 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.891 10.345 -0.878 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.639 11.327 -1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.414 12.489 0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.925 11.703 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.910 12.732 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.445 13.687 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.834 14.462 1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.366 13.612 1.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.648 15.938 0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.085 15.002 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.599 15.824 -0.582 1.00 0.00 H new ATOM 1007 N ILE A 73 -0.371 8.364 -1.800 1.00 0.00 N ATOM 1008 CA ILE A 73 -1.063 7.778 -2.928 1.00 0.00 C ATOM 1009 C ILE A 73 -2.281 6.965 -2.525 1.00 0.00 C ATOM 1010 O ILE A 73 -3.306 7.042 -3.199 1.00 0.00 O ATOM 1011 CB ILE A 73 -0.181 6.990 -3.894 1.00 0.00 C ATOM 1012 CG1 ILE A 73 0.789 6.054 -3.177 1.00 0.00 C ATOM 1013 CG2 ILE A 73 0.518 7.987 -4.828 1.00 0.00 C ATOM 1014 CD1 ILE A 73 1.360 4.988 -4.110 1.00 0.00 C ATOM 0 H ILE A 73 0.571 8.000 -1.658 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.406 8.651 -3.484 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.802 6.322 -4.491 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.606 6.637 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 73 0.276 5.570 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.154 7.445 -5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.231 8.553 -5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.128 8.672 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.044 4.347 -3.554 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.547 4.386 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.897 5.470 -4.927 1.00 0.00 H new ATOM 1026 N LEU A 74 -2.323 6.091 -1.523 1.00 0.00 N ATOM 1027 CA LEU A 74 -3.203 4.939 -1.442 1.00 0.00 C ATOM 1028 C LEU A 74 -4.643 5.245 -1.074 1.00 0.00 C ATOM 1029 O LEU A 74 -5.537 4.409 -1.131 1.00 0.00 O ATOM 1030 CB LEU A 74 -2.629 3.971 -0.422 1.00 0.00 C ATOM 1031 CG LEU A 74 -1.230 3.453 -0.746 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -0.752 2.439 0.287 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -1.092 2.559 -1.975 1.00 0.00 C ATOM 0 H LEU A 74 -1.714 6.175 -0.709 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.244 4.520 -2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.603 4.463 0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.304 3.120 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.698 4.400 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.247 2.093 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.725 2.907 1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.436 1.590 0.307 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.050 2.260 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.712 1.671 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.415 3.106 -2.861 1.00 0.00 H new ATOM 1045 N GLY A 75 -4.930 6.519 -0.794 1.00 0.00 N ATOM 1046 CA GLY A 75 -6.249 6.991 -0.386 1.00 0.00 C ATOM 1047 C GLY A 75 -6.796 6.379 0.897 1.00 0.00 C ATOM 1048 O GLY A 75 -7.895 6.764 1.270 1.00 0.00 O ATOM 0 H GLY A 75 -4.235 7.264 -0.847 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.206 8.073 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.953 6.790 -1.193 1.00 0.00 H new ATOM 1052 N ILE A 76 -6.057 5.597 1.694 1.00 0.00 N ATOM 1053 CA ILE A 76 -6.424 4.965 2.938 1.00 0.00 C ATOM 1054 C ILE A 76 -5.282 5.133 3.932 1.00 0.00 C ATOM 1055 O ILE A 76 -4.185 5.470 3.486 1.00 0.00 O ATOM 1056 CB ILE A 76 -6.885 3.521 2.818 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -5.669 2.734 2.338 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -8.195 3.238 2.085 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -5.928 1.231 2.166 1.00 0.00 C ATOM 0 H ILE A 76 -5.092 5.378 1.445 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.315 5.475 3.305 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.217 3.180 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.335 3.146 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.855 2.873 3.049 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.387 2.165 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.013 3.752 2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.122 3.595 1.058 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -5.017 0.742 1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.232 0.803 3.121 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.719 1.080 1.432 1.00 0.00 H new ATOM 1071 N LYS A 77 -5.499 5.096 5.248 1.00 0.00 N ATOM 1072 CA LYS A 77 -4.582 5.221 6.356 1.00 0.00 C ATOM 1073 C LYS A 77 -5.202 5.519 7.717 1.00 0.00 C ATOM 1074 O LYS A 77 -6.115 6.340 7.703 1.00 0.00 O ATOM 1075 CB LYS A 77 -3.316 6.063 6.174 1.00 0.00 C ATOM 1076 CG LYS A 77 -3.491 7.537 5.851 1.00 0.00 C ATOM 1077 CD LYS A 77 -2.223 8.220 5.316 1.00 0.00 C ATOM 1078 CE LYS A 77 -2.243 9.711 4.973 1.00 0.00 C ATOM 1079 NZ LYS A 77 -3.166 9.960 3.849 1.00 0.00 N ATOM 0 H LYS A 77 -6.449 4.959 5.593 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.244 4.185 6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.728 5.987 7.089 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.725 5.612 5.377 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.286 7.644 5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.819 8.058 6.751 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.437 8.068 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.922 7.684 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.554 10.288 5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.239 10.045 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.303 10.984 3.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.764 9.564 2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.082 9.508 4.045 1.00 0.00 H new ATOM 1093 N LEU A 78 -4.743 4.980 8.856 1.00 0.00 N ATOM 1094 CA LEU A 78 -5.408 5.090 10.148 1.00 0.00 C ATOM 1095 C LEU A 78 -4.380 5.179 11.261 1.00 0.00 C ATOM 1096 O LEU A 78 -3.304 4.585 11.240 1.00 0.00 O ATOM 1097 CB LEU A 78 -6.508 4.048 10.366 1.00 0.00 C ATOM 1098 CG LEU A 78 -7.893 4.331 9.786 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -8.833 3.135 9.975 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -8.436 5.594 10.447 1.00 0.00 C ATOM 0 H LEU A 78 -3.877 4.443 8.897 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.965 6.027 10.163 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.159 3.103 9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.620 3.901 11.440 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.821 4.489 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.810 3.369 9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.418 2.263 9.470 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.941 2.921 11.038 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.426 5.817 10.048 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.505 5.440 11.524 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.766 6.429 10.242 1.00 0.00 H new