USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 576 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 Single : A 8 MET CE :methyl 157:sc= -2.28! (180deg=-4.81!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 27:sc= 0.737 USER MOD Single : A 21 SER OG : rot 33:sc= 0.0156 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 38 SER OG : rot -88:sc= 0.414 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.9 K(o=-1.9,f=-2.4!) USER MOD Single : A 47 GLN : amide:sc= -0.057 X(o=-0.057,f=-0.057) USER MOD Single : A 48 GLN : amide:sc= 0.272 K(o=0.27,f=-0.51) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 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 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 60:sc= 0.0323 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0675 K(o=-0.068,f=-2.2!) USER MOD Single : A 72 SER OG : rot 110:sc= 0.661 USER MOD Single : A 73 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.541) USER MOD Single : A 75 ASN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.771 -13.935 4.821 1.00 0.00 N ATOM 60 CA GLY A 7 5.541 -12.925 3.805 1.00 0.00 C ATOM 61 C GLY A 7 6.612 -11.852 3.801 1.00 0.00 C ATOM 62 O GLY A 7 7.802 -12.154 3.878 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.505 -13.401 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.568 -12.462 3.971 1.00 0.00 H new ATOM 66 N MET A 8 6.188 -10.595 3.710 1.00 0.00 N ATOM 67 CA MET A 8 7.120 -9.474 3.696 1.00 0.00 C ATOM 68 C MET A 8 6.533 -8.269 4.423 1.00 0.00 C ATOM 69 O MET A 8 5.324 -8.195 4.642 1.00 0.00 O ATOM 70 CB MET A 8 7.471 -9.094 2.256 1.00 0.00 C ATOM 71 CG MET A 8 6.272 -8.650 1.435 1.00 0.00 C ATOM 72 SD MET A 8 6.738 -8.000 -0.181 1.00 0.00 S ATOM 73 CE MET A 8 5.247 -7.116 -0.633 1.00 0.00 C ATOM 0 H MET A 8 5.206 -10.328 3.645 1.00 0.00 H new ATOM 0 HA MET A 8 8.028 -9.782 4.215 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.208 -8.291 2.270 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.939 -9.948 1.767 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.596 -9.494 1.301 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.723 -7.886 1.985 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.488 -6.347 -1.367 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.526 -7.813 -1.061 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.818 -6.649 0.254 1.00 0.00 H new ATOM 83 N GLN A 9 7.396 -7.330 4.796 1.00 0.00 N ATOM 84 CA GLN A 9 6.961 -6.129 5.500 1.00 0.00 C ATOM 85 C GLN A 9 6.928 -4.929 4.560 1.00 0.00 C ATOM 86 O GLN A 9 7.909 -4.634 3.876 1.00 0.00 O ATOM 87 CB GLN A 9 7.889 -5.841 6.681 1.00 0.00 C ATOM 88 CG GLN A 9 7.508 -4.596 7.465 1.00 0.00 C ATOM 89 CD GLN A 9 8.672 -4.017 8.244 1.00 0.00 C ATOM 90 OE1 GLN A 9 8.729 -4.124 9.470 1.00 0.00 O ATOM 91 NE2 GLN A 9 9.610 -3.399 7.536 1.00 0.00 N ATOM 0 H GLN A 9 8.400 -7.377 4.623 1.00 0.00 H new ATOM 0 HA GLN A 9 5.952 -6.303 5.874 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.885 -6.699 7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 9 8.909 -5.730 6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.125 -3.842 6.778 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.699 -4.839 8.154 1.00 0.00 H new ATOM 0 HE21 GLN A 9 9.523 -3.333 6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 9 10.417 -2.990 8.006 1.00 0.00 H new ATOM 100 N LEU A 10 5.793 -4.239 4.530 1.00 0.00 N ATOM 101 CA LEU A 10 5.630 -3.070 3.673 1.00 0.00 C ATOM 102 C LEU A 10 5.565 -1.791 4.502 1.00 0.00 C ATOM 103 O LEU A 10 4.900 -1.743 5.538 1.00 0.00 O ATOM 104 CB LEU A 10 4.365 -3.206 2.824 1.00 0.00 C ATOM 105 CG LEU A 10 4.411 -4.256 1.714 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.164 -4.173 0.848 1.00 0.00 C ATOM 107 CD2 LEU A 10 5.664 -4.082 0.867 1.00 0.00 C ATOM 0 H LEU A 10 4.972 -4.469 5.090 1.00 0.00 H new ATOM 0 HA LEU A 10 6.497 -3.011 3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.531 -3.442 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.149 -2.238 2.372 1.00 0.00 H new ATOM 0 HG LEU A 10 4.442 -5.243 2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.215 -4.928 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.281 -4.348 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.100 -3.183 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.680 -4.838 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.663 -3.090 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.547 -4.194 1.496 1.00 0.00 H new ATOM 119 N THR A 11 6.257 -0.755 4.040 1.00 0.00 N ATOM 120 CA THR A 11 6.277 0.524 4.738 1.00 0.00 C ATOM 121 C THR A 11 5.623 1.617 3.901 1.00 0.00 C ATOM 122 O THR A 11 6.232 2.153 2.975 1.00 0.00 O ATOM 123 CB THR A 11 7.715 0.952 5.086 1.00 0.00 C ATOM 124 OG1 THR A 11 8.507 -0.200 5.398 1.00 0.00 O ATOM 125 CG2 THR A 11 7.724 1.914 6.264 1.00 0.00 C ATOM 0 H THR A 11 6.812 -0.777 3.184 1.00 0.00 H new ATOM 0 HA THR A 11 5.712 0.389 5.661 1.00 0.00 H new ATOM 0 HB THR A 11 8.139 1.460 4.220 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.420 0.080 5.616 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.751 2.202 6.491 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.145 2.803 6.012 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.283 1.428 7.134 1.00 0.00 H new ATOM 133 N VAL A 12 4.378 1.944 4.233 1.00 0.00 N ATOM 134 CA VAL A 12 3.641 2.976 3.512 1.00 0.00 C ATOM 135 C VAL A 12 3.825 4.341 4.166 1.00 0.00 C ATOM 136 O VAL A 12 3.285 4.606 5.240 1.00 0.00 O ATOM 137 CB VAL A 12 2.137 2.649 3.447 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.357 3.830 2.889 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.899 1.400 2.612 1.00 0.00 C ATOM 0 H VAL A 12 3.859 1.510 4.996 1.00 0.00 H new ATOM 0 HA VAL A 12 4.044 3.004 2.500 1.00 0.00 H new ATOM 0 HB VAL A 12 1.781 2.455 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.297 3.580 2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.502 4.698 3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.712 4.059 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.831 1.184 2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.270 1.563 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.425 0.557 3.060 1.00 0.00 H new ATOM 149 N LYS A 13 4.592 5.206 3.511 1.00 0.00 N ATOM 150 CA LYS A 13 4.848 6.545 4.026 1.00 0.00 C ATOM 151 C LYS A 13 3.945 7.571 3.347 1.00 0.00 C ATOM 152 O LYS A 13 3.802 7.573 2.125 1.00 0.00 O ATOM 153 CB LYS A 13 6.316 6.924 3.814 1.00 0.00 C ATOM 154 CG LYS A 13 6.734 8.178 4.562 1.00 0.00 C ATOM 155 CD LYS A 13 8.246 8.298 4.648 1.00 0.00 C ATOM 156 CE LYS A 13 8.814 9.049 3.453 1.00 0.00 C ATOM 157 NZ LYS A 13 10.303 9.058 3.461 1.00 0.00 N ATOM 0 H LYS A 13 5.047 5.003 2.621 1.00 0.00 H new ATOM 0 HA LYS A 13 4.630 6.544 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.947 6.094 4.132 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.495 7.070 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.326 9.055 4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.312 8.161 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.519 8.815 5.568 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.689 7.303 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.458 8.588 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.444 10.074 3.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.651 9.579 2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.643 9.521 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.656 8.080 3.429 1.00 0.00 H new ATOM 171 N ALA A 14 3.339 8.441 4.148 1.00 0.00 N ATOM 172 CA ALA A 14 2.453 9.473 3.624 1.00 0.00 C ATOM 173 C ALA A 14 3.240 10.709 3.201 1.00 0.00 C ATOM 174 O ALA A 14 3.888 11.357 4.025 1.00 0.00 O ATOM 175 CB ALA A 14 1.403 9.843 4.660 1.00 0.00 C ATOM 0 H ALA A 14 3.445 8.452 5.162 1.00 0.00 H new ATOM 0 HA ALA A 14 1.952 9.074 2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.748 10.615 4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.813 8.962 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.894 10.218 5.558 1.00 0.00 H new ATOM 224 N ARG A 18 1.553 10.854 7.665 1.00 0.00 N ATOM 225 CA ARG A 18 2.256 9.945 8.562 1.00 0.00 C ATOM 226 C ARG A 18 2.666 8.669 7.832 1.00 0.00 C ATOM 227 O ARG A 18 2.328 8.475 6.664 1.00 0.00 O ATOM 228 CB ARG A 18 1.376 9.597 9.763 1.00 0.00 C ATOM 229 CG ARG A 18 1.132 10.770 10.699 1.00 0.00 C ATOM 230 CD ARG A 18 -0.001 10.480 11.672 1.00 0.00 C ATOM 231 NE ARG A 18 -0.711 11.695 12.062 1.00 0.00 N ATOM 232 CZ ARG A 18 -0.269 12.540 12.987 1.00 0.00 C ATOM 233 NH1 ARG A 18 0.875 12.303 13.613 1.00 0.00 N ATOM 234 NH2 ARG A 18 -0.973 13.624 13.287 1.00 0.00 N ATOM 0 HA ARG A 18 3.157 10.448 8.914 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.417 9.224 9.404 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.844 8.787 10.323 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.044 10.989 11.255 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.893 11.659 10.115 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.702 9.781 11.215 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.400 9.993 12.561 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.595 11.907 11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.418 11.470 13.385 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.212 12.953 14.323 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.854 13.809 12.807 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.633 14.272 13.997 1.00 0.00 H new ATOM 248 N GLU A 19 3.395 7.803 8.528 1.00 0.00 N ATOM 249 CA GLU A 19 3.851 6.547 7.945 1.00 0.00 C ATOM 250 C GLU A 19 3.267 5.354 8.696 1.00 0.00 C ATOM 251 O GLU A 19 2.831 5.481 9.841 1.00 0.00 O ATOM 252 CB GLU A 19 5.380 6.475 7.962 1.00 0.00 C ATOM 253 CG GLU A 19 5.993 6.889 9.290 1.00 0.00 C ATOM 254 CD GLU A 19 7.460 6.520 9.394 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.756 5.361 9.751 1.00 0.00 O ATOM 256 OE2 GLU A 19 8.312 7.391 9.121 1.00 0.00 O ATOM 0 H GLU A 19 3.682 7.948 9.496 1.00 0.00 H new ATOM 0 HA GLU A 19 3.504 6.510 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.690 5.456 7.730 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.775 7.116 7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.883 7.966 9.417 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.444 6.414 10.103 1.00 0.00 H new ATOM 263 N CYS A 20 3.261 4.197 8.044 1.00 0.00 N ATOM 264 CA CYS A 20 2.729 2.981 8.649 1.00 0.00 C ATOM 265 C CYS A 20 3.334 1.740 8.000 1.00 0.00 C ATOM 266 O CYS A 20 3.540 1.701 6.787 1.00 0.00 O ATOM 267 CB CYS A 20 1.206 2.946 8.521 1.00 0.00 C ATOM 268 SG CYS A 20 0.337 3.910 9.780 1.00 0.00 S ATOM 0 H CYS A 20 3.618 4.075 7.096 1.00 0.00 H new ATOM 0 HA CYS A 20 2.998 2.984 9.705 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.926 3.319 7.536 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.871 1.910 8.576 1.00 0.00 H new ATOM 0 HG CYS A 20 1.100 4.881 10.187 1.00 0.00 H new ATOM 274 N SER A 21 3.619 0.730 8.816 1.00 0.00 N ATOM 275 CA SER A 21 4.206 -0.510 8.321 1.00 0.00 C ATOM 276 C SER A 21 3.271 -1.689 8.567 1.00 0.00 C ATOM 277 O SER A 21 2.713 -1.838 9.656 1.00 0.00 O ATOM 278 CB SER A 21 5.555 -0.764 8.996 1.00 0.00 C ATOM 279 OG SER A 21 6.124 -1.985 8.554 1.00 0.00 O ATOM 0 H SER A 21 3.453 0.746 9.822 1.00 0.00 H new ATOM 0 HA SER A 21 4.359 -0.408 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.236 0.059 8.777 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.425 -0.790 10.078 1.00 0.00 H new ATOM 0 HG SER A 21 5.879 -2.140 7.618 1.00 0.00 H new ATOM 285 N LEU A 22 3.103 -2.526 7.549 1.00 0.00 N ATOM 286 CA LEU A 22 2.235 -3.694 7.653 1.00 0.00 C ATOM 287 C LEU A 22 2.966 -4.956 7.207 1.00 0.00 C ATOM 288 O LEU A 22 3.997 -4.884 6.539 1.00 0.00 O ATOM 289 CB LEU A 22 0.976 -3.495 6.808 1.00 0.00 C ATOM 290 CG LEU A 22 -0.173 -2.742 7.483 1.00 0.00 C ATOM 291 CD1 LEU A 22 -1.066 -2.087 6.441 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.981 -3.683 8.365 1.00 0.00 C ATOM 0 H LEU A 22 3.557 -2.418 6.642 1.00 0.00 H new ATOM 0 HA LEU A 22 1.949 -3.812 8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.253 -2.958 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.611 -4.475 6.500 1.00 0.00 H new ATOM 0 HG LEU A 22 0.250 -1.959 8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.877 -1.556 6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.480 -1.383 5.851 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.482 -2.852 5.785 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.794 -3.131 8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.394 -4.487 7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.335 -4.106 9.134 1.00 0.00 H new ATOM 304 N GLN A 23 2.423 -6.111 7.579 1.00 0.00 N ATOM 305 CA GLN A 23 3.023 -7.389 7.216 1.00 0.00 C ATOM 306 C GLN A 23 2.163 -8.122 6.191 1.00 0.00 C ATOM 307 O GLN A 23 1.071 -8.594 6.506 1.00 0.00 O ATOM 308 CB GLN A 23 3.210 -8.261 8.459 1.00 0.00 C ATOM 309 CG GLN A 23 1.902 -8.663 9.122 1.00 0.00 C ATOM 310 CD GLN A 23 2.099 -9.183 10.532 1.00 0.00 C ATOM 311 OE1 GLN A 23 2.648 -10.266 10.736 1.00 0.00 O ATOM 312 NE2 GLN A 23 1.652 -8.412 11.516 1.00 0.00 N ATOM 0 H GLN A 23 1.569 -6.188 8.131 1.00 0.00 H new ATOM 0 HA GLN A 23 3.998 -7.190 6.771 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.759 -9.161 8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.824 -7.723 9.181 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.232 -7.804 9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.415 -9.430 8.520 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.203 -7.521 11.302 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.758 -8.710 12.486 1.00 0.00 H new ATOM 321 N VAL A 24 2.664 -8.214 4.963 1.00 0.00 N ATOM 322 CA VAL A 24 1.942 -8.890 3.892 1.00 0.00 C ATOM 323 C VAL A 24 2.899 -9.642 2.974 1.00 0.00 C ATOM 324 O VAL A 24 4.074 -9.297 2.843 1.00 0.00 O ATOM 325 CB VAL A 24 1.120 -7.894 3.053 1.00 0.00 C ATOM 326 CG1 VAL A 24 -0.071 -7.382 3.847 1.00 0.00 C ATOM 327 CG2 VAL A 24 1.996 -6.740 2.587 1.00 0.00 C ATOM 0 H VAL A 24 3.567 -7.829 4.685 1.00 0.00 H new ATOM 0 HA VAL A 24 1.264 -9.600 4.366 1.00 0.00 H new ATOM 0 HB VAL A 24 0.743 -8.413 2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.640 -6.680 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.710 -8.220 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.281 -6.879 4.747 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.399 -6.046 1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.404 -6.220 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.813 -7.126 1.978 1.00 0.00 H new ATOM 337 N PRO A 25 2.387 -10.696 2.322 1.00 0.00 N ATOM 338 CA PRO A 25 3.179 -11.520 1.403 1.00 0.00 C ATOM 339 C PRO A 25 3.538 -10.776 0.121 1.00 0.00 C ATOM 340 O PRO A 25 3.095 -9.649 -0.098 1.00 0.00 O ATOM 341 CB PRO A 25 2.254 -12.699 1.096 1.00 0.00 C ATOM 342 CG PRO A 25 0.879 -12.170 1.316 1.00 0.00 C ATOM 343 CD PRO A 25 0.996 -11.166 2.430 1.00 0.00 C ATOM 0 HA PRO A 25 4.134 -11.813 1.839 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.385 -13.048 0.072 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.462 -13.546 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.490 -11.705 0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.190 -12.972 1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.285 -10.348 2.310 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.799 -11.619 3.402 1.00 0.00 H new ATOM 351 N GLU A 26 4.343 -11.415 -0.723 1.00 0.00 N ATOM 352 CA GLU A 26 4.761 -10.812 -1.983 1.00 0.00 C ATOM 353 C GLU A 26 3.632 -10.860 -3.009 1.00 0.00 C ATOM 354 O GLU A 26 3.339 -9.864 -3.672 1.00 0.00 O ATOM 355 CB GLU A 26 5.995 -11.530 -2.533 1.00 0.00 C ATOM 356 CG GLU A 26 7.309 -10.944 -2.042 1.00 0.00 C ATOM 357 CD GLU A 26 8.509 -11.507 -2.777 1.00 0.00 C ATOM 358 OE1 GLU A 26 8.860 -10.961 -3.845 1.00 0.00 O ATOM 359 OE2 GLU A 26 9.098 -12.492 -2.286 1.00 0.00 O ATOM 0 H GLU A 26 4.718 -12.349 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 26 5.012 -9.769 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.948 -12.582 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.973 -11.490 -3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.288 -9.861 -2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.415 -11.142 -0.975 1.00 0.00 H new ATOM 366 N ASP A 27 3.004 -12.023 -3.135 1.00 0.00 N ATOM 367 CA ASP A 27 1.908 -12.202 -4.080 1.00 0.00 C ATOM 368 C ASP A 27 0.586 -11.743 -3.472 1.00 0.00 C ATOM 369 O ASP A 27 -0.475 -12.275 -3.796 1.00 0.00 O ATOM 370 CB ASP A 27 1.806 -13.668 -4.505 1.00 0.00 C ATOM 371 CG ASP A 27 1.637 -14.602 -3.324 1.00 0.00 C ATOM 372 OD1 ASP A 27 0.646 -14.445 -2.579 1.00 0.00 O ATOM 373 OD2 ASP A 27 2.494 -15.492 -3.144 1.00 0.00 O ATOM 0 H ASP A 27 3.235 -12.857 -2.594 1.00 0.00 H new ATOM 0 HA ASP A 27 2.115 -11.591 -4.958 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.962 -13.789 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.703 -13.946 -5.059 1.00 0.00 H new ATOM 378 N GLU A 28 0.660 -10.753 -2.587 1.00 0.00 N ATOM 379 CA GLU A 28 -0.531 -10.224 -1.933 1.00 0.00 C ATOM 380 C GLU A 28 -1.406 -9.464 -2.926 1.00 0.00 C ATOM 381 O GLU A 28 -0.909 -8.886 -3.893 1.00 0.00 O ATOM 382 CB GLU A 28 -0.138 -9.305 -0.774 1.00 0.00 C ATOM 383 CG GLU A 28 -1.295 -8.959 0.148 1.00 0.00 C ATOM 384 CD GLU A 28 -1.686 -10.113 1.050 1.00 0.00 C ATOM 385 OE1 GLU A 28 -1.788 -11.252 0.548 1.00 0.00 O ATOM 386 OE2 GLU A 28 -1.891 -9.877 2.260 1.00 0.00 O ATOM 0 H GLU A 28 1.531 -10.302 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.103 -11.065 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.649 -9.785 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.282 -8.384 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.022 -8.100 0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.156 -8.663 -0.451 1.00 0.00 H new ATOM 393 N LEU A 29 -2.711 -9.469 -2.679 1.00 0.00 N ATOM 394 CA LEU A 29 -3.657 -8.781 -3.551 1.00 0.00 C ATOM 395 C LEU A 29 -3.777 -7.309 -3.170 1.00 0.00 C ATOM 396 O LEU A 29 -4.030 -6.976 -2.012 1.00 0.00 O ATOM 397 CB LEU A 29 -5.030 -9.452 -3.479 1.00 0.00 C ATOM 398 CG LEU A 29 -5.031 -10.981 -3.506 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.456 -11.514 -3.488 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.284 -11.494 -4.728 1.00 0.00 C ATOM 0 H LEU A 29 -3.138 -9.942 -1.882 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.283 -8.844 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.525 -9.124 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.632 -9.093 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.518 -11.341 -2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.437 -12.604 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.959 -11.176 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.994 -11.145 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.295 -12.584 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.768 -11.124 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.253 -11.142 -4.699 1.00 0.00 H new ATOM 412 N VAL A 30 -3.597 -6.432 -4.152 1.00 0.00 N ATOM 413 CA VAL A 30 -3.689 -4.995 -3.920 1.00 0.00 C ATOM 414 C VAL A 30 -4.994 -4.634 -3.220 1.00 0.00 C ATOM 415 O VAL A 30 -5.071 -3.634 -2.506 1.00 0.00 O ATOM 416 CB VAL A 30 -3.592 -4.207 -5.240 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.602 -2.710 -4.970 1.00 0.00 C ATOM 418 CG2 VAL A 30 -2.344 -4.609 -6.011 1.00 0.00 C ATOM 0 H VAL A 30 -3.387 -6.691 -5.116 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.850 -4.723 -3.280 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.462 -4.448 -5.851 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.533 -2.170 -5.914 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.528 -2.438 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.753 -2.448 -4.339 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.292 -4.042 -6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.460 -4.399 -5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.384 -5.674 -6.238 1.00 0.00 H new ATOM 428 N SER A 31 -6.018 -5.455 -3.428 1.00 0.00 N ATOM 429 CA SER A 31 -7.322 -5.220 -2.818 1.00 0.00 C ATOM 430 C SER A 31 -7.236 -5.315 -1.298 1.00 0.00 C ATOM 431 O SER A 31 -7.906 -4.573 -0.578 1.00 0.00 O ATOM 432 CB SER A 31 -8.344 -6.228 -3.346 1.00 0.00 C ATOM 433 OG SER A 31 -7.905 -7.559 -3.134 1.00 0.00 O ATOM 0 H SER A 31 -5.970 -6.289 -4.014 1.00 0.00 H new ATOM 0 HA SER A 31 -7.644 -4.213 -3.084 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.302 -6.074 -2.848 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.507 -6.061 -4.411 1.00 0.00 H new ATOM 0 HG SER A 31 -8.577 -8.184 -3.479 1.00 0.00 H new ATOM 439 N THR A 32 -6.406 -6.234 -0.814 1.00 0.00 N ATOM 440 CA THR A 32 -6.232 -6.427 0.619 1.00 0.00 C ATOM 441 C THR A 32 -5.132 -5.525 1.167 1.00 0.00 C ATOM 442 O THR A 32 -5.141 -5.163 2.344 1.00 0.00 O ATOM 443 CB THR A 32 -5.890 -7.892 0.951 1.00 0.00 C ATOM 444 OG1 THR A 32 -6.956 -8.751 0.531 1.00 0.00 O ATOM 445 CG2 THR A 32 -5.648 -8.068 2.443 1.00 0.00 C ATOM 0 H THR A 32 -5.844 -6.856 -1.395 1.00 0.00 H new ATOM 0 HA THR A 32 -7.180 -6.166 1.089 1.00 0.00 H new ATOM 0 HB THR A 32 -4.977 -8.158 0.418 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.730 -9.681 0.744 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.408 -9.111 2.652 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.817 -7.435 2.754 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.545 -7.785 2.993 1.00 0.00 H new ATOM 453 N LEU A 33 -4.187 -5.163 0.306 1.00 0.00 N ATOM 454 CA LEU A 33 -3.080 -4.301 0.704 1.00 0.00 C ATOM 455 C LEU A 33 -3.566 -2.881 0.977 1.00 0.00 C ATOM 456 O LEU A 33 -2.896 -2.103 1.656 1.00 0.00 O ATOM 457 CB LEU A 33 -2.005 -4.284 -0.384 1.00 0.00 C ATOM 458 CG LEU A 33 -1.198 -5.572 -0.551 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.571 -5.634 -1.935 1.00 0.00 C ATOM 460 CD2 LEU A 33 -0.127 -5.674 0.526 1.00 0.00 C ATOM 0 H LEU A 33 -4.165 -5.453 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.652 -4.701 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.483 -4.053 -1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.312 -3.470 -0.169 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.876 -6.419 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.001 -6.558 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.355 -5.608 -2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.093 -4.781 -2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.437 -6.597 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.548 -4.821 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.598 -5.677 1.509 1.00 0.00 H new ATOM 472 N LYS A 34 -4.737 -2.550 0.444 1.00 0.00 N ATOM 473 CA LYS A 34 -5.316 -1.225 0.632 1.00 0.00 C ATOM 474 C LYS A 34 -6.244 -1.203 1.843 1.00 0.00 C ATOM 475 O LYS A 34 -6.285 -0.223 2.586 1.00 0.00 O ATOM 476 CB LYS A 34 -6.086 -0.800 -0.621 1.00 0.00 C ATOM 477 CG LYS A 34 -5.189 -0.438 -1.792 1.00 0.00 C ATOM 478 CD LYS A 34 -5.873 -0.707 -3.122 1.00 0.00 C ATOM 479 CE LYS A 34 -5.387 0.247 -4.202 1.00 0.00 C ATOM 480 NZ LYS A 34 -6.202 0.141 -5.444 1.00 0.00 N ATOM 0 H LYS A 34 -5.304 -3.181 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.502 -0.522 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.751 -1.610 -0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.715 0.056 -0.378 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.915 0.615 -1.729 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.264 -1.012 -1.735 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.681 -1.735 -3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.952 -0.606 -3.004 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.427 1.270 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.344 0.033 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.839 0.807 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.144 -0.829 -5.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.193 0.370 -5.229 1.00 0.00 H new ATOM 494 N GLN A 35 -6.984 -2.290 2.035 1.00 0.00 N ATOM 495 CA GLN A 35 -7.909 -2.395 3.157 1.00 0.00 C ATOM 496 C GLN A 35 -7.154 -2.528 4.475 1.00 0.00 C ATOM 497 O GLN A 35 -7.661 -2.155 5.534 1.00 0.00 O ATOM 498 CB GLN A 35 -8.841 -3.593 2.967 1.00 0.00 C ATOM 499 CG GLN A 35 -9.861 -3.400 1.856 1.00 0.00 C ATOM 500 CD GLN A 35 -10.795 -4.585 1.709 1.00 0.00 C ATOM 501 OE1 GLN A 35 -10.398 -5.732 1.914 1.00 0.00 O ATOM 502 NE2 GLN A 35 -12.045 -4.313 1.351 1.00 0.00 N ATOM 0 H GLN A 35 -6.961 -3.110 1.429 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.504 -1.482 3.191 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.242 -4.478 2.750 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.367 -3.786 3.902 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.447 -2.503 2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.339 -3.234 0.914 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.331 -3.347 1.191 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.719 -5.070 1.236 1.00 0.00 H new ATOM 511 N LEU A 36 -5.940 -3.062 4.404 1.00 0.00 N ATOM 512 CA LEU A 36 -5.113 -3.245 5.593 1.00 0.00 C ATOM 513 C LEU A 36 -4.625 -1.902 6.128 1.00 0.00 C ATOM 514 O LEU A 36 -4.619 -1.669 7.337 1.00 0.00 O ATOM 515 CB LEU A 36 -3.918 -4.144 5.274 1.00 0.00 C ATOM 516 CG LEU A 36 -4.215 -5.641 5.167 1.00 0.00 C ATOM 517 CD1 LEU A 36 -3.008 -6.386 4.618 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.620 -6.202 6.522 1.00 0.00 C ATOM 0 H LEU A 36 -5.506 -3.376 3.536 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.723 -3.721 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.480 -3.812 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.162 -3.998 6.046 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.047 -5.779 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.237 -7.449 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.763 -6.002 3.628 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.157 -6.241 5.284 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.828 -7.268 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.809 -6.052 7.235 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.514 -5.688 6.876 1.00 0.00 H new ATOM 530 N VAL A 37 -4.218 -1.021 5.220 1.00 0.00 N ATOM 531 CA VAL A 37 -3.731 0.299 5.600 1.00 0.00 C ATOM 532 C VAL A 37 -4.885 1.226 5.967 1.00 0.00 C ATOM 533 O VAL A 37 -4.723 2.153 6.760 1.00 0.00 O ATOM 534 CB VAL A 37 -2.911 0.943 4.466 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.284 2.247 4.935 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.846 -0.021 3.967 1.00 0.00 C ATOM 0 H VAL A 37 -4.216 -1.198 4.215 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.089 0.161 6.470 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.582 1.168 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.709 2.688 4.121 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.069 2.939 5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.625 2.050 5.780 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.276 0.450 3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.176 -0.279 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.322 -0.926 3.590 1.00 0.00 H new ATOM 546 N SER A 38 -6.052 0.968 5.384 1.00 0.00 N ATOM 547 CA SER A 38 -7.234 1.781 5.647 1.00 0.00 C ATOM 548 C SER A 38 -7.400 2.030 7.143 1.00 0.00 C ATOM 549 O SER A 38 -7.516 3.173 7.583 1.00 0.00 O ATOM 550 CB SER A 38 -8.483 1.097 5.089 1.00 0.00 C ATOM 551 OG SER A 38 -9.065 0.235 6.052 1.00 0.00 O ATOM 0 H SER A 38 -6.204 0.203 4.727 1.00 0.00 H new ATOM 0 HA SER A 38 -7.103 2.742 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.209 1.851 4.785 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.222 0.528 4.197 1.00 0.00 H new ATOM 0 HG SER A 38 -8.660 -0.655 5.982 1.00 0.00 H new ATOM 557 N GLU A 39 -7.411 0.950 7.918 1.00 0.00 N ATOM 558 CA GLU A 39 -7.564 1.051 9.365 1.00 0.00 C ATOM 559 C GLU A 39 -6.324 1.670 10.001 1.00 0.00 C ATOM 560 O GLU A 39 -6.424 2.518 10.889 1.00 0.00 O ATOM 561 CB GLU A 39 -7.826 -0.330 9.970 1.00 0.00 C ATOM 562 CG GLU A 39 -6.753 -1.353 9.638 1.00 0.00 C ATOM 563 CD GLU A 39 -7.110 -2.748 10.114 1.00 0.00 C ATOM 564 OE1 GLU A 39 -7.996 -3.377 9.499 1.00 0.00 O ATOM 565 OE2 GLU A 39 -6.502 -3.210 11.102 1.00 0.00 O ATOM 0 H GLU A 39 -7.316 -0.004 7.569 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.417 1.697 9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.902 -0.234 11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.789 -0.697 9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.594 -1.371 8.560 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.811 -1.047 10.094 1.00 0.00 H new ATOM 572 N LYS A 40 -5.153 1.241 9.542 1.00 0.00 N ATOM 573 CA LYS A 40 -3.891 1.752 10.064 1.00 0.00 C ATOM 574 C LYS A 40 -3.949 3.266 10.242 1.00 0.00 C ATOM 575 O LYS A 40 -3.765 3.779 11.346 1.00 0.00 O ATOM 576 CB LYS A 40 -2.740 1.381 9.127 1.00 0.00 C ATOM 577 CG LYS A 40 -2.117 0.030 9.433 1.00 0.00 C ATOM 578 CD LYS A 40 -1.273 0.078 10.695 1.00 0.00 C ATOM 579 CE LYS A 40 -1.060 -1.311 11.277 1.00 0.00 C ATOM 580 NZ LYS A 40 -0.725 -1.260 12.727 1.00 0.00 N ATOM 0 H LYS A 40 -5.052 0.540 8.808 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.718 1.296 11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.105 1.379 8.100 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.970 2.149 9.190 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.903 -0.716 9.548 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.499 -0.285 8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.308 0.532 10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.760 0.713 11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.961 -1.907 11.133 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.257 -1.812 10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.588 -2.226 13.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.149 -0.713 12.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.502 -0.805 13.247 1.00 0.00 H new ATOM 594 N LEU A 41 -4.207 3.976 9.149 1.00 0.00 N ATOM 595 CA LEU A 41 -4.291 5.432 9.184 1.00 0.00 C ATOM 596 C LEU A 41 -5.739 5.890 9.330 1.00 0.00 C ATOM 597 O LEU A 41 -6.007 7.071 9.548 1.00 0.00 O ATOM 598 CB LEU A 41 -3.681 6.028 7.915 1.00 0.00 C ATOM 599 CG LEU A 41 -2.177 5.819 7.730 1.00 0.00 C ATOM 600 CD1 LEU A 41 -1.777 6.068 6.285 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.394 6.726 8.667 1.00 0.00 C ATOM 0 H LEU A 41 -4.362 3.567 8.227 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.729 5.784 10.049 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.195 5.601 7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.882 7.099 7.908 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.940 4.784 7.977 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.704 5.915 6.173 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.312 5.376 5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.028 7.092 6.009 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.326 6.564 8.522 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.636 7.767 8.452 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.659 6.498 9.700 1.00 0.00 H new ATOM 613 N ASN A 42 -6.667 4.947 9.210 1.00 0.00 N ATOM 614 CA ASN A 42 -8.088 5.254 9.331 1.00 0.00 C ATOM 615 C ASN A 42 -8.595 5.978 8.087 1.00 0.00 C ATOM 616 O ASN A 42 -9.507 6.802 8.164 1.00 0.00 O ATOM 617 CB ASN A 42 -8.343 6.111 10.573 1.00 0.00 C ATOM 618 CG ASN A 42 -7.544 5.641 11.773 1.00 0.00 C ATOM 619 OD1 ASN A 42 -7.390 4.440 11.998 1.00 0.00 O ATOM 620 ND2 ASN A 42 -7.032 6.587 12.551 1.00 0.00 N ATOM 0 H ASN A 42 -6.461 3.964 9.029 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.630 4.314 9.430 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.089 7.148 10.354 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.405 6.088 10.815 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.486 6.331 13.373 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.185 7.570 12.326 1.00 0.00 H new ATOM 627 N VAL A 43 -7.999 5.664 6.942 1.00 0.00 N ATOM 628 CA VAL A 43 -8.391 6.283 5.681 1.00 0.00 C ATOM 629 C VAL A 43 -9.126 5.291 4.787 1.00 0.00 C ATOM 630 O VAL A 43 -8.757 4.121 4.681 1.00 0.00 O ATOM 631 CB VAL A 43 -7.168 6.833 4.922 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.587 7.396 3.572 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.457 7.889 5.753 1.00 0.00 C ATOM 0 H VAL A 43 -7.243 4.984 6.861 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.058 7.109 5.928 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.471 6.013 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.711 7.780 3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.048 6.608 2.976 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.303 8.204 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.596 8.267 5.202 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.143 8.710 5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.122 7.448 6.692 1.00 0.00 H new ATOM 643 N PRO A 44 -10.193 5.767 4.127 1.00 0.00 N ATOM 644 CA PRO A 44 -11.003 4.938 3.230 1.00 0.00 C ATOM 645 C PRO A 44 -10.256 4.566 1.953 1.00 0.00 C ATOM 646 O PRO A 44 -9.535 5.385 1.382 1.00 0.00 O ATOM 647 CB PRO A 44 -12.202 5.833 2.906 1.00 0.00 C ATOM 648 CG PRO A 44 -11.699 7.222 3.094 1.00 0.00 C ATOM 649 CD PRO A 44 -10.690 7.151 4.207 1.00 0.00 C ATOM 0 HA PRO A 44 -11.275 3.987 3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.551 5.673 1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.043 5.623 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.244 7.599 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.513 7.901 3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.887 7.875 4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.144 7.360 5.176 1.00 0.00 H new ATOM 657 N VAL A 45 -10.434 3.325 1.509 1.00 0.00 N ATOM 658 CA VAL A 45 -9.778 2.845 0.299 1.00 0.00 C ATOM 659 C VAL A 45 -10.113 3.732 -0.896 1.00 0.00 C ATOM 660 O VAL A 45 -9.382 3.758 -1.886 1.00 0.00 O ATOM 661 CB VAL A 45 -10.184 1.395 -0.022 1.00 0.00 C ATOM 662 CG1 VAL A 45 -9.274 0.809 -1.091 1.00 0.00 C ATOM 663 CG2 VAL A 45 -10.158 0.543 1.238 1.00 0.00 C ATOM 0 H VAL A 45 -11.027 2.635 1.970 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.705 2.881 0.485 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.203 1.399 -0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.577 -0.216 -1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.349 1.406 -2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.244 0.817 -0.736 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.448 -0.479 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.152 0.544 1.657 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.856 0.952 1.968 1.00 0.00 H new ATOM 673 N ARG A 46 -11.222 4.456 -0.796 1.00 0.00 N ATOM 674 CA ARG A 46 -11.654 5.344 -1.868 1.00 0.00 C ATOM 675 C ARG A 46 -10.802 6.609 -1.904 1.00 0.00 C ATOM 676 O ARG A 46 -10.765 7.315 -2.911 1.00 0.00 O ATOM 677 CB ARG A 46 -13.128 5.714 -1.691 1.00 0.00 C ATOM 678 CG ARG A 46 -14.049 4.510 -1.578 1.00 0.00 C ATOM 679 CD ARG A 46 -15.486 4.930 -1.315 1.00 0.00 C ATOM 680 NE ARG A 46 -16.214 5.197 -2.553 1.00 0.00 N ATOM 681 CZ ARG A 46 -16.701 4.244 -3.339 1.00 0.00 C ATOM 682 NH1 ARG A 46 -16.540 2.968 -3.017 1.00 0.00 N ATOM 683 NH2 ARG A 46 -17.352 4.566 -4.449 1.00 0.00 N ATOM 0 H ARG A 46 -11.838 4.445 0.017 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.530 4.816 -2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.235 6.328 -0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.445 6.325 -2.536 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.002 3.927 -2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.705 3.862 -0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.996 4.145 -0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.494 5.823 -0.690 1.00 0.00 H new ATOM 0 HE ARG A 46 -16.356 6.169 -2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.041 2.716 -2.164 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.915 2.238 -3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -17.479 5.547 -4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.726 3.833 -5.052 1.00 0.00 H new ATOM 697 N GLN A 47 -10.121 6.889 -0.798 1.00 0.00 N ATOM 698 CA GLN A 47 -9.270 8.070 -0.702 1.00 0.00 C ATOM 699 C GLN A 47 -7.800 7.696 -0.861 1.00 0.00 C ATOM 700 O GLN A 47 -7.182 7.993 -1.882 1.00 0.00 O ATOM 701 CB GLN A 47 -9.488 8.774 0.637 1.00 0.00 C ATOM 702 CG GLN A 47 -10.828 9.485 0.740 1.00 0.00 C ATOM 703 CD GLN A 47 -10.893 10.735 -0.116 1.00 0.00 C ATOM 704 OE1 GLN A 47 -11.567 10.761 -1.146 1.00 0.00 O ATOM 705 NE2 GLN A 47 -10.190 11.779 0.307 1.00 0.00 N ATOM 0 H GLN A 47 -10.142 6.314 0.045 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.542 8.750 -1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -9.413 8.041 1.440 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.689 9.499 0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -11.622 8.801 0.439 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.015 9.752 1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.645 11.713 1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -10.195 12.647 -0.228 1.00 0.00 H new ATOM 714 N GLN A 48 -7.248 7.043 0.157 1.00 0.00 N ATOM 715 CA GLN A 48 -5.850 6.630 0.130 1.00 0.00 C ATOM 716 C GLN A 48 -5.442 6.180 -1.269 1.00 0.00 C ATOM 717 O GLN A 48 -6.211 5.521 -1.969 1.00 0.00 O ATOM 718 CB GLN A 48 -5.611 5.499 1.132 1.00 0.00 C ATOM 719 CG GLN A 48 -6.078 4.140 0.639 1.00 0.00 C ATOM 720 CD GLN A 48 -5.537 2.997 1.475 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.398 2.567 1.296 1.00 0.00 O ATOM 722 NE2 GLN A 48 -6.353 2.500 2.397 1.00 0.00 N ATOM 0 H GLN A 48 -7.747 6.789 1.010 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.239 7.488 0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.547 5.447 1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -6.126 5.735 2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.167 4.109 0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.766 4.007 -0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.290 2.887 2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.043 1.731 2.991 1.00 0.00 H new ATOM 731 N ARG A 49 -4.227 6.541 -1.671 1.00 0.00 N ATOM 732 CA ARG A 49 -3.718 6.175 -2.987 1.00 0.00 C ATOM 733 C ARG A 49 -2.347 5.515 -2.875 1.00 0.00 C ATOM 734 O ARG A 49 -1.421 6.077 -2.290 1.00 0.00 O ATOM 735 CB ARG A 49 -3.629 7.411 -3.884 1.00 0.00 C ATOM 736 CG ARG A 49 -2.908 7.159 -5.198 1.00 0.00 C ATOM 737 CD ARG A 49 -3.873 6.715 -6.287 1.00 0.00 C ATOM 738 NE ARG A 49 -3.297 6.861 -7.621 1.00 0.00 N ATOM 739 CZ ARG A 49 -3.944 6.551 -8.739 1.00 0.00 C ATOM 740 NH1 ARG A 49 -5.183 6.082 -8.682 1.00 0.00 N ATOM 741 NH2 ARG A 49 -3.353 6.711 -9.916 1.00 0.00 N ATOM 0 H ARG A 49 -3.578 7.086 -1.104 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.411 5.461 -3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.636 7.770 -4.095 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.114 8.206 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.395 8.068 -5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.144 6.395 -5.054 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.150 5.673 -6.124 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.789 7.302 -6.221 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.346 7.221 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.641 5.959 -7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.678 5.844 -9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.400 7.073 -9.963 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.851 6.472 -10.773 1.00 0.00 H new ATOM 755 N LEU A 50 -2.225 4.318 -3.440 1.00 0.00 N ATOM 756 CA LEU A 50 -0.967 3.580 -3.404 1.00 0.00 C ATOM 757 C LEU A 50 -0.094 3.933 -4.604 1.00 0.00 C ATOM 758 O LEU A 50 -0.576 4.010 -5.735 1.00 0.00 O ATOM 759 CB LEU A 50 -1.237 2.075 -3.379 1.00 0.00 C ATOM 760 CG LEU A 50 -1.664 1.491 -2.032 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.825 -0.018 -2.131 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.657 1.852 -0.951 1.00 0.00 C ATOM 0 H LEU A 50 -2.981 3.838 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.434 3.862 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.014 1.854 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.334 1.559 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.628 1.921 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.129 -0.416 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.585 -0.255 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.876 -0.467 -2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.977 1.428 0.001 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.321 1.451 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.592 2.936 -0.862 1.00 0.00 H new ATOM 774 N LEU A 51 1.193 4.143 -4.351 1.00 0.00 N ATOM 775 CA LEU A 51 2.135 4.485 -5.411 1.00 0.00 C ATOM 776 C LEU A 51 3.495 3.843 -5.159 1.00 0.00 C ATOM 777 O LEU A 51 3.977 3.808 -4.026 1.00 0.00 O ATOM 778 CB LEU A 51 2.287 6.004 -5.515 1.00 0.00 C ATOM 779 CG LEU A 51 1.085 6.762 -6.081 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.343 8.260 -6.063 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.773 6.288 -7.493 1.00 0.00 C ATOM 0 H LEU A 51 1.608 4.082 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 51 1.741 4.100 -6.351 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.503 6.396 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.154 6.220 -6.139 1.00 0.00 H new ATOM 0 HG LEU A 51 0.219 6.556 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.477 8.783 -6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.516 8.587 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.220 8.485 -6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.085 6.838 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.636 6.464 -8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.544 5.223 -7.477 1.00 0.00 H new ATOM 793 N PHE A 52 4.111 3.337 -6.222 1.00 0.00 N ATOM 794 CA PHE A 52 5.417 2.696 -6.117 1.00 0.00 C ATOM 795 C PHE A 52 6.394 3.283 -7.131 1.00 0.00 C ATOM 796 O PHE A 52 6.228 3.116 -8.340 1.00 0.00 O ATOM 797 CB PHE A 52 5.287 1.187 -6.331 1.00 0.00 C ATOM 798 CG PHE A 52 6.563 0.434 -6.083 1.00 0.00 C ATOM 799 CD1 PHE A 52 6.990 0.176 -4.790 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.335 -0.015 -7.142 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.164 -0.516 -4.559 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.510 -0.708 -6.917 1.00 0.00 C ATOM 803 CZ PHE A 52 8.924 -0.959 -5.623 1.00 0.00 C ATOM 0 H PHE A 52 3.727 3.358 -7.167 1.00 0.00 H new ATOM 0 HA PHE A 52 5.805 2.881 -5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.512 0.800 -5.670 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.957 1.000 -7.353 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.399 0.519 -3.954 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.015 0.179 -8.155 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.487 -0.710 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE A 52 9.103 -1.052 -7.751 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.841 -1.501 -5.444 1.00 0.00 H new ATOM 813 N LYS A 53 7.414 3.972 -6.631 1.00 0.00 N ATOM 814 CA LYS A 53 8.420 4.585 -7.491 1.00 0.00 C ATOM 815 C LYS A 53 7.764 5.345 -8.639 1.00 0.00 C ATOM 816 O LYS A 53 8.352 5.503 -9.708 1.00 0.00 O ATOM 817 CB LYS A 53 9.364 3.517 -8.046 1.00 0.00 C ATOM 818 CG LYS A 53 10.182 2.813 -6.977 1.00 0.00 C ATOM 819 CD LYS A 53 11.454 2.214 -7.553 1.00 0.00 C ATOM 820 CE LYS A 53 12.441 1.843 -6.456 1.00 0.00 C ATOM 821 NZ LYS A 53 13.570 1.025 -6.980 1.00 0.00 N ATOM 0 H LYS A 53 7.566 4.120 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 53 8.993 5.292 -6.891 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.780 2.776 -8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.041 3.980 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.437 3.520 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.583 2.026 -6.519 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.208 1.328 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.917 2.927 -8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.832 2.751 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.923 1.288 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.220 0.793 -6.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.199 0.147 -7.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.080 1.564 -7.709 1.00 0.00 H new ATOM 835 N GLY A 54 6.541 5.815 -8.410 1.00 0.00 N ATOM 836 CA GLY A 54 5.826 6.554 -9.434 1.00 0.00 C ATOM 837 C GLY A 54 4.946 5.661 -10.286 1.00 0.00 C ATOM 838 O GLY A 54 4.606 6.008 -11.417 1.00 0.00 O ATOM 0 H GLY A 54 6.033 5.697 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.212 7.321 -8.962 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.543 7.069 -10.073 1.00 0.00 H new ATOM 842 N LYS A 55 4.577 4.506 -9.743 1.00 0.00 N ATOM 843 CA LYS A 55 3.731 3.559 -10.460 1.00 0.00 C ATOM 844 C LYS A 55 2.355 3.457 -9.809 1.00 0.00 C ATOM 845 O LYS A 55 2.242 3.183 -8.615 1.00 0.00 O ATOM 846 CB LYS A 55 4.393 2.180 -10.498 1.00 0.00 C ATOM 847 CG LYS A 55 4.034 1.366 -11.729 1.00 0.00 C ATOM 848 CD LYS A 55 5.127 0.370 -12.077 1.00 0.00 C ATOM 849 CE LYS A 55 6.329 1.057 -12.707 1.00 0.00 C ATOM 850 NZ LYS A 55 6.191 1.169 -14.186 1.00 0.00 N ATOM 0 H LYS A 55 4.851 4.203 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 55 3.604 3.923 -11.480 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.475 2.305 -10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.103 1.623 -9.607 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.098 0.835 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.868 2.035 -12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.440 -0.158 -11.176 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.733 -0.378 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.446 2.052 -12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.234 0.498 -12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.030 1.643 -14.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.105 0.219 -14.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.342 1.724 -14.414 1.00 0.00 H new ATOM 864 N ALA A 56 1.312 3.677 -10.603 1.00 0.00 N ATOM 865 CA ALA A 56 -0.055 3.607 -10.104 1.00 0.00 C ATOM 866 C ALA A 56 -0.556 2.167 -10.077 1.00 0.00 C ATOM 867 O ALA A 56 -0.724 1.537 -11.123 1.00 0.00 O ATOM 868 CB ALA A 56 -0.973 4.471 -10.956 1.00 0.00 C ATOM 0 H ALA A 56 1.388 3.905 -11.594 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.062 3.986 -9.082 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.991 4.409 -10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.634 5.506 -10.921 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.952 4.117 -11.987 1.00 0.00 H new ATOM 874 N LEU A 57 -0.792 1.650 -8.877 1.00 0.00 N ATOM 875 CA LEU A 57 -1.274 0.282 -8.714 1.00 0.00 C ATOM 876 C LEU A 57 -2.782 0.207 -8.925 1.00 0.00 C ATOM 877 O LEU A 57 -3.491 1.201 -8.768 1.00 0.00 O ATOM 878 CB LEU A 57 -0.915 -0.243 -7.322 1.00 0.00 C ATOM 879 CG LEU A 57 0.365 0.317 -6.702 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.596 -0.280 -5.323 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.558 0.050 -7.608 1.00 0.00 C ATOM 0 H LEU A 57 -0.658 2.157 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.790 -0.340 -9.467 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.745 -0.027 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.823 -1.328 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 57 0.251 1.396 -6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.512 0.131 -4.898 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.246 -0.036 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.688 -1.363 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.460 0.456 -7.150 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.674 -1.025 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.395 0.527 -8.574 1.00 0.00 H new ATOM 893 N ALA A 58 -3.267 -0.979 -9.280 1.00 0.00 N ATOM 894 CA ALA A 58 -4.691 -1.185 -9.509 1.00 0.00 C ATOM 895 C ALA A 58 -5.211 -2.371 -8.703 1.00 0.00 C ATOM 896 O ALA A 58 -4.578 -3.425 -8.654 1.00 0.00 O ATOM 897 CB ALA A 58 -4.963 -1.392 -10.991 1.00 0.00 C ATOM 0 H ALA A 58 -2.694 -1.812 -9.415 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.220 -0.292 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.031 -1.545 -11.147 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.637 -0.513 -11.547 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.416 -2.267 -11.343 1.00 0.00 H new ATOM 903 N ASP A 59 -6.366 -2.190 -8.072 1.00 0.00 N ATOM 904 CA ASP A 59 -6.971 -3.246 -7.268 1.00 0.00 C ATOM 905 C ASP A 59 -7.094 -4.538 -8.071 1.00 0.00 C ATOM 906 O ASP A 59 -7.355 -4.511 -9.273 1.00 0.00 O ATOM 907 CB ASP A 59 -8.348 -2.810 -6.768 1.00 0.00 C ATOM 908 CG ASP A 59 -9.352 -2.656 -7.894 1.00 0.00 C ATOM 909 OD1 ASP A 59 -9.646 -3.665 -8.567 1.00 0.00 O ATOM 910 OD2 ASP A 59 -9.842 -1.526 -8.102 1.00 0.00 O ATOM 0 H ASP A 59 -6.902 -1.323 -8.102 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.324 -3.432 -6.411 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.720 -3.543 -6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.255 -1.863 -6.236 1.00 0.00 H new ATOM 915 N GLY A 60 -6.903 -5.668 -7.398 1.00 0.00 N ATOM 916 CA GLY A 60 -6.995 -6.954 -8.064 1.00 0.00 C ATOM 917 C GLY A 60 -5.634 -7.535 -8.394 1.00 0.00 C ATOM 918 O GLY A 60 -5.402 -8.731 -8.216 1.00 0.00 O ATOM 0 H GLY A 60 -6.686 -5.716 -6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.540 -7.651 -7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.572 -6.844 -8.982 1.00 0.00 H new ATOM 922 N LYS A 61 -4.732 -6.688 -8.876 1.00 0.00 N ATOM 923 CA LYS A 61 -3.386 -7.123 -9.232 1.00 0.00 C ATOM 924 C LYS A 61 -2.571 -7.445 -7.984 1.00 0.00 C ATOM 925 O LYS A 61 -3.013 -7.200 -6.862 1.00 0.00 O ATOM 926 CB LYS A 61 -2.678 -6.042 -10.051 1.00 0.00 C ATOM 927 CG LYS A 61 -3.307 -5.801 -11.413 1.00 0.00 C ATOM 928 CD LYS A 61 -2.283 -5.303 -12.420 1.00 0.00 C ATOM 929 CE LYS A 61 -2.952 -4.628 -13.607 1.00 0.00 C ATOM 930 NZ LYS A 61 -1.955 -4.121 -14.591 1.00 0.00 N ATOM 0 H LYS A 61 -4.908 -5.695 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.471 -8.028 -9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.683 -5.109 -9.487 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.635 -6.326 -10.187 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.756 -6.725 -11.776 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.111 -5.071 -11.319 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.606 -4.600 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.678 -6.140 -12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.620 -5.336 -14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.568 -3.801 -13.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.451 -3.668 -15.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.334 -3.427 -14.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.384 -4.914 -14.947 1.00 0.00 H new ATOM 944 N ARG A 62 -1.378 -7.995 -8.188 1.00 0.00 N ATOM 945 CA ARG A 62 -0.501 -8.351 -7.078 1.00 0.00 C ATOM 946 C ARG A 62 0.809 -7.572 -7.150 1.00 0.00 C ATOM 947 O ARG A 62 1.416 -7.453 -8.215 1.00 0.00 O ATOM 948 CB ARG A 62 -0.215 -9.854 -7.088 1.00 0.00 C ATOM 949 CG ARG A 62 -1.463 -10.710 -7.227 1.00 0.00 C ATOM 950 CD ARG A 62 -1.125 -12.110 -7.715 1.00 0.00 C ATOM 951 NE ARG A 62 -2.090 -13.101 -7.246 1.00 0.00 N ATOM 952 CZ ARG A 62 -1.835 -14.403 -7.183 1.00 0.00 C ATOM 953 NH1 ARG A 62 -0.651 -14.869 -7.557 1.00 0.00 N ATOM 954 NH2 ARG A 62 -2.765 -15.242 -6.745 1.00 0.00 N ATOM 0 H ARG A 62 -0.997 -8.204 -9.111 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.008 -8.091 -6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.464 -10.081 -7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.299 -10.124 -6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.973 -10.772 -6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.154 -10.237 -7.924 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.098 -12.117 -8.805 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.128 -12.383 -7.370 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.010 -12.775 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.066 -14.227 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -0.458 -15.869 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.677 -14.887 -6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.568 -16.242 -6.697 1.00 0.00 H new ATOM 968 N LEU A 63 1.240 -7.043 -6.010 1.00 0.00 N ATOM 969 CA LEU A 63 2.478 -6.275 -5.943 1.00 0.00 C ATOM 970 C LEU A 63 3.595 -6.973 -6.712 1.00 0.00 C ATOM 971 O LEU A 63 4.382 -6.329 -7.405 1.00 0.00 O ATOM 972 CB LEU A 63 2.896 -6.071 -4.486 1.00 0.00 C ATOM 973 CG LEU A 63 2.012 -5.138 -3.657 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.387 -5.215 -2.185 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.125 -3.708 -4.164 1.00 0.00 C ATOM 0 H LEU A 63 0.750 -7.132 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 63 2.299 -5.303 -6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.921 -7.045 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.914 -5.681 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 63 0.976 -5.460 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.747 -4.544 -1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.254 -6.237 -1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.429 -4.919 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.490 -3.058 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.160 -3.376 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.806 -3.665 -5.205 1.00 0.00 H new ATOM 987 N SER A 64 3.656 -8.295 -6.586 1.00 0.00 N ATOM 988 CA SER A 64 4.677 -9.082 -7.268 1.00 0.00 C ATOM 989 C SER A 64 4.727 -8.736 -8.753 1.00 0.00 C ATOM 990 O SER A 64 5.800 -8.690 -9.355 1.00 0.00 O ATOM 991 CB SER A 64 4.403 -10.576 -7.089 1.00 0.00 C ATOM 992 OG SER A 64 3.070 -10.897 -7.447 1.00 0.00 O ATOM 0 H SER A 64 3.010 -8.844 -6.018 1.00 0.00 H new ATOM 0 HA SER A 64 5.643 -8.842 -6.824 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.096 -11.152 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.583 -10.860 -6.052 1.00 0.00 H new ATOM 0 HG SER A 64 2.921 -11.858 -7.325 1.00 0.00 H new ATOM 998 N ASP A 65 3.559 -8.495 -9.337 1.00 0.00 N ATOM 999 CA ASP A 65 3.467 -8.153 -10.752 1.00 0.00 C ATOM 1000 C ASP A 65 4.064 -6.774 -11.017 1.00 0.00 C ATOM 1001 O ASP A 65 4.478 -6.471 -12.136 1.00 0.00 O ATOM 1002 CB ASP A 65 2.010 -8.189 -11.214 1.00 0.00 C ATOM 1003 CG ASP A 65 1.471 -9.602 -11.323 1.00 0.00 C ATOM 1004 OD1 ASP A 65 0.975 -10.128 -10.304 1.00 0.00 O ATOM 1005 OD2 ASP A 65 1.546 -10.182 -12.426 1.00 0.00 O ATOM 0 H ASP A 65 2.662 -8.530 -8.853 1.00 0.00 H new ATOM 0 HA ASP A 65 4.037 -8.891 -11.317 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.396 -7.622 -10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.927 -7.696 -12.183 1.00 0.00 H new ATOM 1010 N TYR A 66 4.104 -5.944 -9.981 1.00 0.00 N ATOM 1011 CA TYR A 66 4.647 -4.596 -10.103 1.00 0.00 C ATOM 1012 C TYR A 66 6.134 -4.575 -9.761 1.00 0.00 C ATOM 1013 O TYR A 66 6.707 -3.517 -9.497 1.00 0.00 O ATOM 1014 CB TYR A 66 3.888 -3.633 -9.188 1.00 0.00 C ATOM 1015 CG TYR A 66 2.518 -3.260 -9.705 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.359 -2.247 -10.642 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.381 -3.921 -9.257 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.108 -1.902 -11.117 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.126 -3.584 -9.727 1.00 0.00 C ATOM 1020 CZ TYR A 66 -0.005 -2.574 -10.656 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.252 -2.234 -11.128 1.00 0.00 O ATOM 0 H TYR A 66 3.767 -6.180 -9.048 1.00 0.00 H new ATOM 0 HA TYR A 66 4.526 -4.275 -11.138 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.784 -4.087 -8.203 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.478 -2.726 -9.060 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.228 -1.720 -11.006 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.480 -4.712 -8.529 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.002 -1.111 -11.845 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.747 -4.109 -9.369 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.280 -2.362 -12.099 1.00 0.00 H new ATOM 1031 N SER A 67 6.753 -5.751 -9.769 1.00 0.00 N ATOM 1032 CA SER A 67 8.173 -5.869 -9.458 1.00 0.00 C ATOM 1033 C SER A 67 8.475 -5.300 -8.075 1.00 0.00 C ATOM 1034 O SER A 67 9.495 -4.640 -7.872 1.00 0.00 O ATOM 1035 CB SER A 67 9.011 -5.146 -10.514 1.00 0.00 C ATOM 1036 OG SER A 67 9.049 -5.880 -11.725 1.00 0.00 O ATOM 0 H SER A 67 6.294 -6.635 -9.987 1.00 0.00 H new ATOM 0 HA SER A 67 8.433 -6.927 -9.461 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.594 -4.156 -10.698 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.025 -5.001 -10.141 1.00 0.00 H new ATOM 0 HG SER A 67 9.589 -5.396 -12.384 1.00 0.00 H new ATOM 1042 N ILE A 68 7.581 -5.560 -7.127 1.00 0.00 N ATOM 1043 CA ILE A 68 7.751 -5.075 -5.763 1.00 0.00 C ATOM 1044 C ILE A 68 8.048 -6.223 -4.804 1.00 0.00 C ATOM 1045 O ILE A 68 7.149 -6.966 -4.412 1.00 0.00 O ATOM 1046 CB ILE A 68 6.500 -4.322 -5.273 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.257 -3.079 -6.132 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.653 -3.939 -3.808 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.914 -2.428 -5.885 1.00 0.00 C ATOM 0 H ILE A 68 6.731 -6.104 -7.279 1.00 0.00 H new ATOM 0 HA ILE A 68 8.597 -4.388 -5.776 1.00 0.00 H new ATOM 0 HB ILE A 68 5.637 -4.980 -5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.046 -2.352 -5.937 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.331 -3.354 -7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.761 -3.408 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.783 -4.840 -3.208 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.524 -3.295 -3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.810 -1.554 -6.527 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.118 -3.139 -6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.845 -2.122 -4.841 1.00 0.00 H new ATOM 1061 N GLY A 69 9.316 -6.361 -4.429 1.00 0.00 N ATOM 1062 CA GLY A 69 9.709 -7.420 -3.518 1.00 0.00 C ATOM 1063 C GLY A 69 9.550 -7.022 -2.064 1.00 0.00 C ATOM 1064 O GLY A 69 8.827 -6.083 -1.731 1.00 0.00 O ATOM 0 H GLY A 69 10.078 -5.758 -4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.108 -8.307 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.748 -7.690 -3.706 1.00 0.00 H new ATOM 1068 N PRO A 70 10.237 -7.748 -1.169 1.00 0.00 N ATOM 1069 CA PRO A 70 10.184 -7.485 0.272 1.00 0.00 C ATOM 1070 C PRO A 70 10.879 -6.181 0.649 1.00 0.00 C ATOM 1071 O PRO A 70 11.573 -5.578 -0.168 1.00 0.00 O ATOM 1072 CB PRO A 70 10.923 -8.680 0.878 1.00 0.00 C ATOM 1073 CG PRO A 70 11.836 -9.148 -0.201 1.00 0.00 C ATOM 1074 CD PRO A 70 11.119 -8.881 -1.496 1.00 0.00 C ATOM 0 HA PRO A 70 9.160 -7.374 0.629 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.479 -8.391 1.769 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.228 -9.465 1.177 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.787 -8.617 -0.165 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.059 -10.209 -0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.815 -8.631 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.551 -9.750 -1.828 1.00 0.00 H new ATOM 1082 N ASN A 71 10.689 -5.752 1.893 1.00 0.00 N ATOM 1083 CA ASN A 71 11.299 -4.520 2.378 1.00 0.00 C ATOM 1084 C ASN A 71 11.127 -3.392 1.364 1.00 0.00 C ATOM 1085 O ASN A 71 12.086 -2.700 1.022 1.00 0.00 O ATOM 1086 CB ASN A 71 12.785 -4.740 2.666 1.00 0.00 C ATOM 1087 CG ASN A 71 13.015 -5.617 3.881 1.00 0.00 C ATOM 1088 OD1 ASN A 71 12.258 -6.554 4.137 1.00 0.00 O ATOM 1089 ND2 ASN A 71 14.063 -5.316 4.638 1.00 0.00 N ATOM 0 H ASN A 71 10.117 -6.240 2.583 1.00 0.00 H new ATOM 0 HA ASN A 71 10.796 -4.234 3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.257 -5.198 1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.269 -3.776 2.821 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.268 -5.870 5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.664 -4.531 4.388 1.00 0.00 H new ATOM 1096 N SER A 72 9.899 -3.214 0.888 1.00 0.00 N ATOM 1097 CA SER A 72 9.602 -2.172 -0.089 1.00 0.00 C ATOM 1098 C SER A 72 8.872 -1.005 0.567 1.00 0.00 C ATOM 1099 O SER A 72 8.034 -1.197 1.449 1.00 0.00 O ATOM 1100 CB SER A 72 8.757 -2.741 -1.230 1.00 0.00 C ATOM 1101 OG SER A 72 9.575 -3.332 -2.225 1.00 0.00 O ATOM 0 H SER A 72 9.094 -3.777 1.162 1.00 0.00 H new ATOM 0 HA SER A 72 10.546 -1.806 -0.493 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.063 -3.484 -0.837 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.157 -1.947 -1.673 1.00 0.00 H new ATOM 0 HG SER A 72 9.456 -4.305 -2.211 1.00 0.00 H new ATOM 1107 N LYS A 73 9.195 0.208 0.131 1.00 0.00 N ATOM 1108 CA LYS A 73 8.571 1.409 0.672 1.00 0.00 C ATOM 1109 C LYS A 73 7.542 1.974 -0.302 1.00 0.00 C ATOM 1110 O LYS A 73 7.895 2.496 -1.360 1.00 0.00 O ATOM 1111 CB LYS A 73 9.633 2.467 0.979 1.00 0.00 C ATOM 1112 CG LYS A 73 10.531 2.106 2.150 1.00 0.00 C ATOM 1113 CD LYS A 73 11.831 2.891 2.119 1.00 0.00 C ATOM 1114 CE LYS A 73 11.636 4.312 2.626 1.00 0.00 C ATOM 1115 NZ LYS A 73 11.241 5.242 1.532 1.00 0.00 N ATOM 0 H LYS A 73 9.887 0.385 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 73 8.060 1.137 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.249 2.619 0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.139 3.415 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.008 2.304 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.749 1.038 2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.578 2.385 2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.218 2.917 1.100 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.871 4.319 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.560 4.664 3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.609 6.193 1.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.634 4.904 0.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.204 5.279 1.465 1.00 0.00 H new ATOM 1129 N LEU A 74 6.269 1.868 0.063 1.00 0.00 N ATOM 1130 CA LEU A 74 5.188 2.371 -0.779 1.00 0.00 C ATOM 1131 C LEU A 74 4.814 3.798 -0.391 1.00 0.00 C ATOM 1132 O LEU A 74 4.906 4.178 0.775 1.00 0.00 O ATOM 1133 CB LEU A 74 3.963 1.462 -0.666 1.00 0.00 C ATOM 1134 CG LEU A 74 3.898 0.296 -1.654 1.00 0.00 C ATOM 1135 CD1 LEU A 74 2.976 -0.794 -1.133 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.436 0.781 -3.020 1.00 0.00 C ATOM 0 H LEU A 74 5.960 1.439 0.935 1.00 0.00 H new ATOM 0 HA LEU A 74 5.537 2.375 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.928 1.057 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.069 2.072 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 74 4.899 -0.123 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.942 -1.615 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.350 -1.161 -0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.973 -0.389 -0.998 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.395 -0.061 -3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.445 1.226 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.136 1.526 -3.397 1.00 0.00 H new ATOM 1148 N ASN A 75 4.391 4.582 -1.377 1.00 0.00 N ATOM 1149 CA ASN A 75 4.002 5.967 -1.138 1.00 0.00 C ATOM 1150 C ASN A 75 2.483 6.108 -1.112 1.00 0.00 C ATOM 1151 O ASN A 75 1.784 5.581 -1.979 1.00 0.00 O ATOM 1152 CB ASN A 75 4.591 6.877 -2.218 1.00 0.00 C ATOM 1153 CG ASN A 75 5.962 7.406 -1.844 1.00 0.00 C ATOM 1154 OD1 ASN A 75 6.168 8.616 -1.750 1.00 0.00 O ATOM 1155 ND2 ASN A 75 6.907 6.499 -1.628 1.00 0.00 N ATOM 0 H ASN A 75 4.309 4.282 -2.348 1.00 0.00 H new ATOM 0 HA ASN A 75 4.394 6.266 -0.166 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.661 6.325 -3.156 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.916 7.715 -2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.849 6.795 -1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.691 5.506 -1.717 1.00 0.00 H new ATOM 1162 N LEU A 76 1.978 6.822 -0.111 1.00 0.00 N ATOM 1163 CA LEU A 76 0.542 7.033 0.029 1.00 0.00 C ATOM 1164 C LEU A 76 0.169 8.476 -0.296 1.00 0.00 C ATOM 1165 O LEU A 76 0.841 9.414 0.134 1.00 0.00 O ATOM 1166 CB LEU A 76 0.091 6.686 1.449 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.377 6.289 1.609 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.662 4.990 0.871 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.736 6.157 3.082 1.00 0.00 C ATOM 0 H LEU A 76 2.542 7.264 0.615 1.00 0.00 H new ATOM 0 HA LEU A 76 0.033 6.377 -0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.710 5.867 1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.286 7.545 2.091 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.995 7.074 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.711 4.723 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.444 5.119 -0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.035 4.196 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.784 5.874 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.110 5.392 3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.571 7.110 3.584 1.00 0.00 H new ATOM 1181 N VAL A 77 -0.907 8.647 -1.057 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.372 9.976 -1.436 1.00 0.00 C ATOM 1183 C VAL A 77 -2.865 10.132 -1.174 1.00 0.00 C ATOM 1184 O VAL A 77 -3.651 9.220 -1.431 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.090 10.266 -2.923 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.437 11.707 -3.262 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.364 9.966 -3.257 1.00 0.00 C ATOM 0 H VAL A 77 -1.473 7.882 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.822 10.690 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.720 9.615 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.231 11.893 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.494 11.883 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.835 12.380 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.546 10.176 -4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.014 10.591 -2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.575 8.916 -3.055 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.252 11.296 -0.661 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.652 11.573 -0.364 1.00 0.00 C ATOM 1199 C VAL A 78 -5.329 12.288 -1.528 1.00 0.00 C ATOM 1200 O VAL A 78 -4.836 13.304 -2.019 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.798 12.432 0.906 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -4.196 13.812 0.689 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -6.260 12.537 1.313 1.00 0.00 C ATOM 0 H VAL A 78 -2.615 12.062 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.137 10.611 -0.200 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.253 11.947 1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.308 14.405 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.137 13.713 0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.710 14.308 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.344 13.147 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.830 12.998 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.655 11.541 1.512 1.00 0.00 H new