USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 802 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 73 ASN : amide:sc= -3.64 K(o=-3.6,f=-9.1!) USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 14 CYS SG : rot 180:sc= 0.00152 USER MOD Set 3.2: A 16 GLN : amide:sc= -0.136 K(o=-0.13,f=-1.9!) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0507 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -105:sc= -1.73 (180deg=-3.06!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.32 K(o=-1.3,f=-5.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 50 LYS NZ :NH3+ -160:sc= -0.0633 (180deg=-0.428) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.18 K(o=-0.18,f=-2.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= -2.88 K(o=-2.9,f=-9.4!) USER MOD Single : A 87 GLN : amide:sc= -3.02! C(o=-3!,f=-3.3!) USER MOD Single : A 91 SER OG : rot 94:sc= 1.23 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 20:sc= 0.511 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 35:sc= 0.884 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.214 13.882 -5.575 1.00 0.00 N ATOM 2 CA GLY A 1 -20.890 14.401 -5.866 1.00 0.00 C ATOM 3 C GLY A 1 -20.673 15.788 -5.296 1.00 0.00 C ATOM 4 O GLY A 1 -21.630 16.525 -5.056 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.146 13.151 -4.838 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.824 14.655 -5.240 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.622 13.468 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.140 13.723 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.743 14.428 -6.946 1.00 0.00 H new ATOM 8 N SER A 2 -19.412 16.146 -5.077 1.00 0.00 N ATOM 9 CA SER A 2 -19.072 17.453 -4.526 1.00 0.00 C ATOM 10 C SER A 2 -17.986 18.128 -5.358 1.00 0.00 C ATOM 11 O SER A 2 -16.953 17.527 -5.655 1.00 0.00 O ATOM 12 CB SER A 2 -18.607 17.313 -3.076 1.00 0.00 C ATOM 13 OG SER A 2 -19.710 17.194 -2.195 1.00 0.00 O ATOM 0 H SER A 2 -18.608 15.549 -5.273 1.00 0.00 H new ATOM 0 HA SER A 2 -19.966 18.076 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.965 16.437 -2.980 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.008 18.180 -2.798 1.00 0.00 H new ATOM 0 HG SER A 2 -19.385 17.104 -1.275 1.00 0.00 H new ATOM 19 N SER A 3 -18.228 19.380 -5.731 1.00 0.00 N ATOM 20 CA SER A 3 -17.273 20.137 -6.532 1.00 0.00 C ATOM 21 C SER A 3 -16.172 20.725 -5.654 1.00 0.00 C ATOM 22 O SER A 3 -15.418 21.596 -6.084 1.00 0.00 O ATOM 23 CB SER A 3 -17.987 21.256 -7.292 1.00 0.00 C ATOM 24 OG SER A 3 -18.549 22.202 -6.399 1.00 0.00 O ATOM 0 H SER A 3 -19.077 19.892 -5.492 1.00 0.00 H new ATOM 0 HA SER A 3 -16.816 19.455 -7.249 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.283 21.754 -7.958 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.772 20.831 -7.918 1.00 0.00 H new ATOM 0 HG SER A 3 -18.998 22.908 -6.910 1.00 0.00 H new ATOM 30 N GLY A 4 -16.088 20.241 -4.418 1.00 0.00 N ATOM 31 CA GLY A 4 -15.078 20.729 -3.498 1.00 0.00 C ATOM 32 C GLY A 4 -15.270 20.198 -2.091 1.00 0.00 C ATOM 33 O GLY A 4 -16.168 20.637 -1.372 1.00 0.00 O ATOM 0 H GLY A 4 -16.701 19.520 -4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.091 20.441 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.105 21.819 -3.479 1.00 0.00 H new ATOM 37 N SER A 5 -14.425 19.251 -1.697 1.00 0.00 N ATOM 38 CA SER A 5 -14.510 18.655 -0.369 1.00 0.00 C ATOM 39 C SER A 5 -13.251 18.951 0.441 1.00 0.00 C ATOM 40 O SER A 5 -12.292 18.179 0.422 1.00 0.00 O ATOM 41 CB SER A 5 -14.718 17.144 -0.477 1.00 0.00 C ATOM 42 OG SER A 5 -15.341 16.630 0.688 1.00 0.00 O ATOM 0 H SER A 5 -13.674 18.880 -2.278 1.00 0.00 H new ATOM 0 HA SER A 5 -15.364 19.095 0.146 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.331 16.920 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.757 16.651 -0.627 1.00 0.00 H new ATOM 0 HG SER A 5 -15.464 15.662 0.593 1.00 0.00 H new ATOM 48 N SER A 6 -13.262 20.074 1.151 1.00 0.00 N ATOM 49 CA SER A 6 -12.120 20.475 1.964 1.00 0.00 C ATOM 50 C SER A 6 -11.812 19.423 3.024 1.00 0.00 C ATOM 51 O SER A 6 -12.500 19.328 4.040 1.00 0.00 O ATOM 52 CB SER A 6 -12.391 21.825 2.632 1.00 0.00 C ATOM 53 OG SER A 6 -11.283 22.240 3.411 1.00 0.00 O ATOM 0 H SER A 6 -14.049 20.722 1.180 1.00 0.00 H new ATOM 0 HA SER A 6 -11.254 20.570 1.309 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.605 22.575 1.870 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.276 21.751 3.264 1.00 0.00 H new ATOM 0 HG SER A 6 -11.481 23.106 3.826 1.00 0.00 H new ATOM 59 N GLY A 7 -10.771 18.632 2.780 1.00 0.00 N ATOM 60 CA GLY A 7 -10.389 17.596 3.722 1.00 0.00 C ATOM 61 C GLY A 7 -8.885 17.436 3.829 1.00 0.00 C ATOM 62 O GLY A 7 -8.128 17.884 2.968 1.00 0.00 O ATOM 0 H GLY A 7 -10.186 18.690 1.947 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.797 17.834 4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.831 16.648 3.414 1.00 0.00 H new ATOM 66 N PRO A 8 -8.431 16.785 4.910 1.00 0.00 N ATOM 67 CA PRO A 8 -7.004 16.553 5.154 1.00 0.00 C ATOM 68 C PRO A 8 -6.405 15.548 4.176 1.00 0.00 C ATOM 69 O PRO A 8 -7.122 14.924 3.395 1.00 0.00 O ATOM 70 CB PRO A 8 -6.974 15.996 6.579 1.00 0.00 C ATOM 71 CG PRO A 8 -8.317 15.383 6.775 1.00 0.00 C ATOM 72 CD PRO A 8 -9.276 16.224 5.978 1.00 0.00 C ATOM 0 HA PRO A 8 -6.415 17.461 5.024 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.181 15.258 6.699 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.789 16.785 7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.328 14.348 6.432 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.591 15.372 7.830 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.093 15.627 5.572 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.726 17.007 6.588 1.00 0.00 H new ATOM 80 N GLY A 9 -5.085 15.397 4.224 1.00 0.00 N ATOM 81 CA GLY A 9 -4.412 14.467 3.337 1.00 0.00 C ATOM 82 C GLY A 9 -2.903 14.526 3.470 1.00 0.00 C ATOM 83 O GLY A 9 -2.249 13.502 3.670 1.00 0.00 O ATOM 0 H GLY A 9 -4.470 15.902 4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.753 13.454 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.691 14.686 2.306 1.00 0.00 H new ATOM 87 N LEU A 10 -2.348 15.728 3.358 1.00 0.00 N ATOM 88 CA LEU A 10 -0.906 15.918 3.466 1.00 0.00 C ATOM 89 C LEU A 10 -0.480 16.038 4.925 1.00 0.00 C ATOM 90 O LEU A 10 0.457 16.767 5.251 1.00 0.00 O ATOM 91 CB LEU A 10 -0.476 17.166 2.693 1.00 0.00 C ATOM 92 CG LEU A 10 -1.300 18.429 2.948 1.00 0.00 C ATOM 93 CD1 LEU A 10 -2.498 18.483 2.013 1.00 0.00 C ATOM 94 CD2 LEU A 10 -1.751 18.488 4.400 1.00 0.00 C ATOM 0 H LEU A 10 -2.875 16.586 3.192 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.417 15.045 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.565 17.380 2.937 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.514 16.940 1.627 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.671 19.296 2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.072 19.388 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.153 18.489 0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.129 17.610 2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.336 19.393 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.363 17.615 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.878 18.498 5.052 1.00 0.00 H new ATOM 106 N ARG A 11 -1.173 15.316 5.800 1.00 0.00 N ATOM 107 CA ARG A 11 -0.866 15.340 7.225 1.00 0.00 C ATOM 108 C ARG A 11 -0.027 14.129 7.621 1.00 0.00 C ATOM 109 O ARG A 11 0.075 13.160 6.869 1.00 0.00 O ATOM 110 CB ARG A 11 -2.156 15.372 8.046 1.00 0.00 C ATOM 111 CG ARG A 11 -2.837 16.731 8.058 1.00 0.00 C ATOM 112 CD ARG A 11 -4.209 16.660 8.711 1.00 0.00 C ATOM 113 NE ARG A 11 -4.579 17.923 9.344 1.00 0.00 N ATOM 114 CZ ARG A 11 -3.986 18.401 10.432 1.00 0.00 C ATOM 115 NH1 ARG A 11 -2.999 17.725 11.005 1.00 0.00 N ATOM 116 NH2 ARG A 11 -4.379 19.558 10.950 1.00 0.00 N ATOM 0 H ARG A 11 -1.951 14.707 5.547 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.290 16.242 7.432 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.849 14.631 7.647 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.931 15.079 9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.214 17.447 8.594 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.937 17.098 7.037 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.955 16.398 7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.215 15.865 9.457 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.334 18.468 8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.694 16.836 10.610 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.545 18.095 11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.137 20.081 10.512 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.923 19.924 11.786 1.00 0.00 H new ATOM 130 N GLU A 12 0.571 14.192 8.807 1.00 0.00 N ATOM 131 CA GLU A 12 1.401 13.100 9.302 1.00 0.00 C ATOM 132 C GLU A 12 0.539 11.957 9.830 1.00 0.00 C ATOM 133 O GLU A 12 -0.114 12.084 10.867 1.00 0.00 O ATOM 134 CB GLU A 12 2.336 13.600 10.405 1.00 0.00 C ATOM 135 CG GLU A 12 3.397 12.590 10.809 1.00 0.00 C ATOM 136 CD GLU A 12 4.236 13.062 11.980 1.00 0.00 C ATOM 137 OE1 GLU A 12 3.664 13.658 12.917 1.00 0.00 O ATOM 138 OE2 GLU A 12 5.464 12.836 11.960 1.00 0.00 O ATOM 0 H GLU A 12 0.496 14.987 9.442 1.00 0.00 H new ATOM 0 HA GLU A 12 1.999 12.727 8.470 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.826 14.513 10.068 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.743 13.861 11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.916 11.647 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.048 12.392 9.957 1.00 0.00 H new ATOM 145 N LEU A 13 0.542 10.841 9.110 1.00 0.00 N ATOM 146 CA LEU A 13 -0.240 9.674 9.505 1.00 0.00 C ATOM 147 C LEU A 13 0.670 8.499 9.848 1.00 0.00 C ATOM 148 O LEU A 13 1.862 8.513 9.537 1.00 0.00 O ATOM 149 CB LEU A 13 -1.203 9.277 8.384 1.00 0.00 C ATOM 150 CG LEU A 13 -2.262 10.315 8.011 1.00 0.00 C ATOM 151 CD1 LEU A 13 -1.752 11.226 6.905 1.00 0.00 C ATOM 152 CD2 LEU A 13 -3.553 9.629 7.587 1.00 0.00 C ATOM 0 H LEU A 13 1.077 10.719 8.250 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.814 9.937 10.393 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.618 9.048 7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.711 8.358 8.677 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.469 10.927 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.520 11.958 6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.855 11.743 7.245 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.516 10.631 6.023 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.296 10.382 7.325 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.360 8.993 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.928 9.020 8.409 1.00 0.00 H new ATOM 164 N CYS A 14 0.101 7.484 10.488 1.00 0.00 N ATOM 165 CA CYS A 14 0.861 6.300 10.873 1.00 0.00 C ATOM 166 C CYS A 14 -0.013 5.051 10.816 1.00 0.00 C ATOM 167 O CYS A 14 -1.241 5.140 10.825 1.00 0.00 O ATOM 168 CB CYS A 14 1.436 6.471 12.279 1.00 0.00 C ATOM 169 SG CYS A 14 0.191 6.792 13.551 1.00 0.00 S ATOM 0 H CYS A 14 -0.884 7.457 10.751 1.00 0.00 H new ATOM 0 HA CYS A 14 1.682 6.180 10.166 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.989 5.570 12.546 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.151 7.293 12.270 1.00 0.00 H new ATOM 0 HG CYS A 14 0.774 6.920 14.706 1.00 0.00 H new ATOM 175 N ILE A 15 0.629 3.889 10.756 1.00 0.00 N ATOM 176 CA ILE A 15 -0.090 2.622 10.698 1.00 0.00 C ATOM 177 C ILE A 15 0.338 1.694 11.829 1.00 0.00 C ATOM 178 O ILE A 15 1.488 1.258 11.884 1.00 0.00 O ATOM 179 CB ILE A 15 0.133 1.910 9.351 1.00 0.00 C ATOM 180 CG1 ILE A 15 -0.267 2.825 8.192 1.00 0.00 C ATOM 181 CG2 ILE A 15 -0.655 0.609 9.302 1.00 0.00 C ATOM 182 CD1 ILE A 15 -0.202 2.151 6.839 1.00 0.00 C ATOM 0 H ILE A 15 1.645 3.799 10.746 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.149 2.855 10.805 1.00 0.00 H new ATOM 0 HB ILE A 15 1.193 1.674 9.254 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.281 3.188 8.360 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.387 3.697 8.186 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.487 0.118 8.344 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.326 -0.046 10.108 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.717 0.823 9.419 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.499 2.859 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.817 1.812 6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.877 1.295 6.826 1.00 0.00 H new ATOM 194 N GLN A 16 -0.594 1.394 12.727 1.00 0.00 N ATOM 195 CA GLN A 16 -0.313 0.516 13.856 1.00 0.00 C ATOM 196 C GLN A 16 -0.483 -0.948 13.463 1.00 0.00 C ATOM 197 O GLN A 16 -1.592 -1.400 13.179 1.00 0.00 O ATOM 198 CB GLN A 16 -1.232 0.851 15.032 1.00 0.00 C ATOM 199 CG GLN A 16 -0.672 1.919 15.957 1.00 0.00 C ATOM 200 CD GLN A 16 -1.101 3.318 15.561 1.00 0.00 C ATOM 201 OE1 GLN A 16 -2.108 3.501 14.877 1.00 0.00 O ATOM 202 NE2 GLN A 16 -0.337 4.316 15.991 1.00 0.00 N ATOM 0 H GLN A 16 -1.551 1.746 12.695 1.00 0.00 H new ATOM 0 HA GLN A 16 0.722 0.674 14.157 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.195 1.185 14.646 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.417 -0.056 15.608 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.999 1.718 16.977 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.417 1.862 15.954 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.489 4.119 16.556 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.577 5.279 15.756 1.00 0.00 H new ATOM 211 N LYS A 17 0.623 -1.684 13.450 1.00 0.00 N ATOM 212 CA LYS A 17 0.597 -3.098 13.093 1.00 0.00 C ATOM 213 C LYS A 17 1.264 -3.944 14.172 1.00 0.00 C ATOM 214 O LYS A 17 1.966 -3.421 15.038 1.00 0.00 O ATOM 215 CB LYS A 17 1.298 -3.319 11.750 1.00 0.00 C ATOM 216 CG LYS A 17 2.793 -3.557 11.877 1.00 0.00 C ATOM 217 CD LYS A 17 3.507 -3.333 10.555 1.00 0.00 C ATOM 218 CE LYS A 17 3.630 -1.852 10.231 1.00 0.00 C ATOM 219 NZ LYS A 17 4.771 -1.220 10.950 1.00 0.00 N ATOM 0 H LYS A 17 1.549 -1.325 13.683 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.445 -3.406 13.007 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.844 -4.174 11.249 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.129 -2.450 11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.206 -2.889 12.632 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.972 -4.576 12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.500 -3.781 10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.963 -3.837 9.756 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.763 -1.725 9.157 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.704 -1.343 10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.409 -0.643 11.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.399 -1.960 11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.303 -0.614 10.293 1.00 0.00 H new ATOM 233 N ALA A 18 1.042 -5.253 14.113 1.00 0.00 N ATOM 234 CA ALA A 18 1.625 -6.171 15.084 1.00 0.00 C ATOM 235 C ALA A 18 3.112 -5.895 15.276 1.00 0.00 C ATOM 236 O ALA A 18 3.730 -5.138 14.526 1.00 0.00 O ATOM 237 CB ALA A 18 1.405 -7.611 14.645 1.00 0.00 C ATOM 0 H ALA A 18 0.463 -5.702 13.403 1.00 0.00 H new ATOM 0 HA ALA A 18 1.127 -6.014 16.041 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.845 -8.286 15.379 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.336 -7.808 14.566 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.876 -7.772 13.675 1.00 0.00 H new ATOM 243 N PRO A 19 3.703 -6.522 16.304 1.00 0.00 N ATOM 244 CA PRO A 19 5.126 -6.359 16.619 1.00 0.00 C ATOM 245 C PRO A 19 6.028 -7.010 15.576 1.00 0.00 C ATOM 246 O PRO A 19 7.252 -6.922 15.659 1.00 0.00 O ATOM 247 CB PRO A 19 5.273 -7.064 17.969 1.00 0.00 C ATOM 248 CG PRO A 19 4.166 -8.061 17.999 1.00 0.00 C ATOM 249 CD PRO A 19 3.028 -7.438 17.238 1.00 0.00 C ATOM 0 HA PRO A 19 5.423 -5.310 16.636 1.00 0.00 H new ATOM 0 HB2 PRO A 19 6.245 -7.549 18.058 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.192 -6.358 18.795 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.474 -9.001 17.540 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.872 -8.288 19.024 1.00 0.00 H new ATOM 0 HD2 PRO A 19 2.439 -8.188 16.710 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.346 -6.905 17.900 1.00 0.00 H new ATOM 257 N GLY A 20 5.415 -7.663 14.594 1.00 0.00 N ATOM 258 CA GLY A 20 6.178 -8.319 13.548 1.00 0.00 C ATOM 259 C GLY A 20 5.334 -8.651 12.334 1.00 0.00 C ATOM 260 O GLY A 20 5.504 -9.704 11.721 1.00 0.00 O ATOM 0 H GLY A 20 4.403 -7.750 14.504 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.004 -7.675 13.247 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.616 -9.235 13.943 1.00 0.00 H new ATOM 264 N GLU A 21 4.420 -7.750 11.987 1.00 0.00 N ATOM 265 CA GLU A 21 3.544 -7.954 10.839 1.00 0.00 C ATOM 266 C GLU A 21 3.998 -7.111 9.651 1.00 0.00 C ATOM 267 O GLU A 21 4.414 -5.964 9.814 1.00 0.00 O ATOM 268 CB GLU A 21 2.099 -7.606 11.203 1.00 0.00 C ATOM 269 CG GLU A 21 1.102 -7.914 10.099 1.00 0.00 C ATOM 270 CD GLU A 21 0.979 -9.400 9.822 1.00 0.00 C ATOM 271 OE1 GLU A 21 0.936 -10.184 10.793 1.00 0.00 O ATOM 272 OE2 GLU A 21 0.926 -9.779 8.633 1.00 0.00 O ATOM 0 H GLU A 21 4.267 -6.873 12.484 1.00 0.00 H new ATOM 0 HA GLU A 21 3.597 -9.006 10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.817 -8.157 12.100 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.040 -6.546 11.448 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.125 -7.518 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.407 -7.402 9.186 1.00 0.00 H new ATOM 279 N ARG A 22 3.915 -7.688 8.457 1.00 0.00 N ATOM 280 CA ARG A 22 4.319 -6.992 7.242 1.00 0.00 C ATOM 281 C ARG A 22 3.194 -6.097 6.729 1.00 0.00 C ATOM 282 O ARG A 22 2.095 -6.570 6.437 1.00 0.00 O ATOM 283 CB ARG A 22 4.719 -7.997 6.160 1.00 0.00 C ATOM 284 CG ARG A 22 3.615 -8.979 5.804 1.00 0.00 C ATOM 285 CD ARG A 22 4.182 -10.327 5.385 1.00 0.00 C ATOM 286 NE ARG A 22 3.213 -11.406 5.557 1.00 0.00 N ATOM 287 CZ ARG A 22 2.133 -11.552 4.798 1.00 0.00 C ATOM 288 NH1 ARG A 22 1.886 -10.692 3.819 1.00 0.00 N ATOM 289 NH2 ARG A 22 1.298 -12.560 5.016 1.00 0.00 N ATOM 0 H ARG A 22 3.571 -8.636 8.305 1.00 0.00 H new ATOM 0 HA ARG A 22 5.179 -6.366 7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.014 -7.454 5.262 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.594 -8.553 6.498 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.954 -9.111 6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.010 -8.570 4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.492 -10.281 4.341 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.074 -10.544 5.973 1.00 0.00 H new ATOM 0 HE ARG A 22 3.375 -12.085 6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.526 -9.917 3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.056 -10.806 3.237 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.485 -13.224 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.469 -12.671 4.432 1.00 0.00 H new ATOM 303 N LEU A 23 3.476 -4.804 6.621 1.00 0.00 N ATOM 304 CA LEU A 23 2.489 -3.842 6.144 1.00 0.00 C ATOM 305 C LEU A 23 1.579 -4.472 5.094 1.00 0.00 C ATOM 306 O LEU A 23 0.356 -4.447 5.222 1.00 0.00 O ATOM 307 CB LEU A 23 3.186 -2.612 5.560 1.00 0.00 C ATOM 308 CG LEU A 23 2.431 -1.289 5.687 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.999 -1.441 5.197 1.00 0.00 C ATOM 310 CD2 LEU A 23 2.453 -0.799 7.128 1.00 0.00 C ATOM 0 H LEU A 23 4.381 -4.397 6.857 1.00 0.00 H new ATOM 0 HA LEU A 23 1.877 -3.536 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.155 -2.503 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.380 -2.797 4.503 1.00 0.00 H new ATOM 0 HG LEU A 23 2.930 -0.547 5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.478 -0.489 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.003 -1.746 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.489 -2.197 5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.911 0.144 7.200 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.979 -1.540 7.772 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.485 -0.649 7.446 1.00 0.00 H new ATOM 322 N GLY A 24 2.186 -5.038 4.055 1.00 0.00 N ATOM 323 CA GLY A 24 1.416 -5.669 2.999 1.00 0.00 C ATOM 324 C GLY A 24 0.903 -4.670 1.981 1.00 0.00 C ATOM 325 O GLY A 24 -0.235 -4.773 1.520 1.00 0.00 O ATOM 0 H GLY A 24 3.197 -5.071 3.926 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.035 -6.411 2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.573 -6.202 3.437 1.00 0.00 H new ATOM 329 N ILE A 25 1.741 -3.701 1.630 1.00 0.00 N ATOM 330 CA ILE A 25 1.365 -2.679 0.660 1.00 0.00 C ATOM 331 C ILE A 25 2.300 -2.693 -0.544 1.00 0.00 C ATOM 332 O ILE A 25 3.336 -3.358 -0.530 1.00 0.00 O ATOM 333 CB ILE A 25 1.377 -1.274 1.290 1.00 0.00 C ATOM 334 CG1 ILE A 25 2.618 -1.095 2.167 1.00 0.00 C ATOM 335 CG2 ILE A 25 0.110 -1.046 2.101 1.00 0.00 C ATOM 336 CD1 ILE A 25 3.027 0.350 2.348 1.00 0.00 C ATOM 0 H ILE A 25 2.685 -3.602 2.003 1.00 0.00 H new ATOM 0 HA ILE A 25 0.352 -2.912 0.332 1.00 0.00 H new ATOM 0 HB ILE A 25 1.411 -0.534 0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.428 -1.536 3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.448 -1.646 1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.134 -0.049 2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.760 -1.136 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.047 -1.790 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.913 0.401 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.249 0.790 1.376 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.213 0.902 2.819 1.00 0.00 H new ATOM 348 N SER A 26 1.929 -1.952 -1.583 1.00 0.00 N ATOM 349 CA SER A 26 2.734 -1.880 -2.797 1.00 0.00 C ATOM 350 C SER A 26 2.739 -0.463 -3.362 1.00 0.00 C ATOM 351 O SER A 26 1.741 0.253 -3.279 1.00 0.00 O ATOM 352 CB SER A 26 2.202 -2.859 -3.846 1.00 0.00 C ATOM 353 OG SER A 26 2.847 -4.116 -3.745 1.00 0.00 O ATOM 0 H SER A 26 1.076 -1.393 -1.609 1.00 0.00 H new ATOM 0 HA SER A 26 3.758 -2.154 -2.542 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.127 -2.987 -3.716 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.356 -2.447 -4.843 1.00 0.00 H new ATOM 0 HG SER A 26 2.488 -4.724 -4.425 1.00 0.00 H new ATOM 359 N ILE A 27 3.869 -0.067 -3.937 1.00 0.00 N ATOM 360 CA ILE A 27 4.005 1.264 -4.517 1.00 0.00 C ATOM 361 C ILE A 27 4.673 1.201 -5.886 1.00 0.00 C ATOM 362 O ILE A 27 5.359 0.231 -6.210 1.00 0.00 O ATOM 363 CB ILE A 27 4.820 2.197 -3.602 1.00 0.00 C ATOM 364 CG1 ILE A 27 6.284 1.753 -3.560 1.00 0.00 C ATOM 365 CG2 ILE A 27 4.227 2.217 -2.202 1.00 0.00 C ATOM 366 CD1 ILE A 27 7.192 2.733 -2.850 1.00 0.00 C ATOM 0 H ILE A 27 4.704 -0.648 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 27 2.997 1.665 -4.625 1.00 0.00 H new ATOM 0 HB ILE A 27 4.777 3.208 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.348 0.785 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.642 1.612 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.814 2.881 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.198 2.575 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.243 1.210 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.214 2.354 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.158 3.696 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.859 2.856 -1.819 1.00 0.00 H new ATOM 378 N ARG A 28 4.469 2.242 -6.686 1.00 0.00 N ATOM 379 CA ARG A 28 5.052 2.306 -8.021 1.00 0.00 C ATOM 380 C ARG A 28 5.735 3.651 -8.252 1.00 0.00 C ATOM 381 O ARG A 28 5.173 4.704 -7.954 1.00 0.00 O ATOM 382 CB ARG A 28 3.975 2.080 -9.083 1.00 0.00 C ATOM 383 CG ARG A 28 3.065 3.279 -9.293 1.00 0.00 C ATOM 384 CD ARG A 28 2.150 3.082 -10.491 1.00 0.00 C ATOM 385 NE ARG A 28 2.803 3.450 -11.745 1.00 0.00 N ATOM 386 CZ ARG A 28 2.242 3.293 -12.939 1.00 0.00 C ATOM 387 NH1 ARG A 28 1.024 2.779 -13.041 1.00 0.00 N ATOM 388 NH2 ARG A 28 2.899 3.652 -14.034 1.00 0.00 N ATOM 0 H ARG A 28 3.904 3.053 -6.433 1.00 0.00 H new ATOM 0 HA ARG A 28 5.802 1.519 -8.101 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.456 1.830 -10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.369 1.221 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.464 3.442 -8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.669 4.174 -9.439 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.835 2.040 -10.539 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.249 3.682 -10.362 1.00 0.00 H new ATOM 0 HE ARG A 28 3.741 3.849 -11.701 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.515 2.503 -12.201 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.596 2.660 -13.959 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.836 4.049 -13.960 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.468 3.531 -14.950 1.00 0.00 H new ATOM 402 N GLY A 29 6.952 3.607 -8.786 1.00 0.00 N ATOM 403 CA GLY A 29 7.692 4.828 -9.047 1.00 0.00 C ATOM 404 C GLY A 29 9.190 4.637 -8.917 1.00 0.00 C ATOM 405 O GLY A 29 9.726 3.595 -9.293 1.00 0.00 O ATOM 0 H GLY A 29 7.438 2.748 -9.042 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.460 5.182 -10.051 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.366 5.602 -8.353 1.00 0.00 H new ATOM 409 N GLY A 30 9.870 5.647 -8.383 1.00 0.00 N ATOM 410 CA GLY A 30 11.309 5.567 -8.215 1.00 0.00 C ATOM 411 C GLY A 30 12.043 6.651 -8.978 1.00 0.00 C ATOM 412 O GLY A 30 11.648 7.016 -10.085 1.00 0.00 O ATOM 0 H GLY A 30 9.449 6.520 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.553 5.644 -7.155 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.657 4.591 -8.552 1.00 0.00 H new ATOM 416 N ALA A 31 13.114 7.169 -8.385 1.00 0.00 N ATOM 417 CA ALA A 31 13.905 8.217 -9.017 1.00 0.00 C ATOM 418 C ALA A 31 14.294 7.830 -10.440 1.00 0.00 C ATOM 419 O ALA A 31 14.691 8.679 -11.238 1.00 0.00 O ATOM 420 CB ALA A 31 15.148 8.512 -8.190 1.00 0.00 C ATOM 0 H ALA A 31 13.453 6.880 -7.468 1.00 0.00 H new ATOM 0 HA ALA A 31 13.293 9.118 -9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.729 9.297 -8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.853 8.841 -7.194 1.00 0.00 H new ATOM 0 HB3 ALA A 31 15.754 7.609 -8.109 1.00 0.00 H new ATOM 426 N ARG A 32 14.179 6.543 -10.750 1.00 0.00 N ATOM 427 CA ARG A 32 14.521 6.043 -12.077 1.00 0.00 C ATOM 428 C ARG A 32 13.370 5.231 -12.665 1.00 0.00 C ATOM 429 O ARG A 32 13.088 5.310 -13.860 1.00 0.00 O ATOM 430 CB ARG A 32 15.784 5.183 -12.011 1.00 0.00 C ATOM 431 CG ARG A 32 17.040 5.971 -11.677 1.00 0.00 C ATOM 432 CD ARG A 32 17.723 6.490 -12.933 1.00 0.00 C ATOM 433 NE ARG A 32 18.457 5.438 -13.631 1.00 0.00 N ATOM 434 CZ ARG A 32 19.176 5.647 -14.728 1.00 0.00 C ATOM 435 NH1 ARG A 32 19.258 6.864 -15.248 1.00 0.00 N ATOM 436 NH2 ARG A 32 19.816 4.639 -15.306 1.00 0.00 N ATOM 0 H ARG A 32 13.852 5.827 -10.101 1.00 0.00 H new ATOM 0 HA ARG A 32 14.707 6.900 -12.724 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.644 4.404 -11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 32 15.923 4.683 -12.969 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.783 6.809 -11.028 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.731 5.337 -11.121 1.00 0.00 H new ATOM 0 HD2 ARG A 32 16.976 6.916 -13.602 1.00 0.00 H new ATOM 0 HD3 ARG A 32 18.408 7.295 -12.667 1.00 0.00 H new ATOM 0 HE ARG A 32 18.415 4.491 -13.255 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.768 7.642 -14.805 1.00 0.00 H new ATOM 0 HH12 ARG A 32 19.811 7.022 -16.091 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.756 3.702 -14.908 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.368 4.801 -16.148 1.00 0.00 H new ATOM 450 N GLY A 33 12.708 4.450 -11.816 1.00 0.00 N ATOM 451 CA GLY A 33 11.597 3.635 -12.270 1.00 0.00 C ATOM 452 C GLY A 33 10.692 4.375 -13.235 1.00 0.00 C ATOM 453 O GLY A 33 10.595 5.602 -13.190 1.00 0.00 O ATOM 0 H GLY A 33 12.922 4.368 -10.822 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.983 2.738 -12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.015 3.308 -11.409 1.00 0.00 H new ATOM 457 N HIS A 34 10.027 3.628 -14.111 1.00 0.00 N ATOM 458 CA HIS A 34 9.126 4.221 -15.093 1.00 0.00 C ATOM 459 C HIS A 34 8.246 5.287 -14.448 1.00 0.00 C ATOM 460 O HIS A 34 7.532 5.016 -13.482 1.00 0.00 O ATOM 461 CB HIS A 34 8.253 3.141 -15.732 1.00 0.00 C ATOM 462 CG HIS A 34 9.002 2.239 -16.664 1.00 0.00 C ATOM 463 ND1 HIS A 34 8.470 1.770 -17.847 1.00 0.00 N ATOM 464 CD2 HIS A 34 10.250 1.722 -16.584 1.00 0.00 C ATOM 465 CE1 HIS A 34 9.358 1.002 -18.452 1.00 0.00 C ATOM 466 NE2 HIS A 34 10.448 0.957 -17.707 1.00 0.00 N ATOM 0 H HIS A 34 10.095 2.611 -14.161 1.00 0.00 H new ATOM 0 HA HIS A 34 9.731 4.694 -15.867 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.799 2.540 -14.945 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.439 3.619 -16.278 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.959 1.881 -15.785 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.217 0.496 -19.396 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.298 0.439 -17.930 1.00 0.00 H new ATOM 475 N ALA A 35 8.303 6.500 -14.987 1.00 0.00 N ATOM 476 CA ALA A 35 7.510 7.607 -14.465 1.00 0.00 C ATOM 477 C ALA A 35 6.075 7.172 -14.189 1.00 0.00 C ATOM 478 O ALA A 35 5.385 6.675 -15.078 1.00 0.00 O ATOM 479 CB ALA A 35 7.531 8.776 -15.438 1.00 0.00 C ATOM 0 H ALA A 35 8.890 6.742 -15.785 1.00 0.00 H new ATOM 0 HA ALA A 35 7.953 7.926 -13.522 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.935 9.595 -15.036 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.558 9.111 -15.582 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.115 8.461 -16.395 1.00 0.00 H new ATOM 485 N GLY A 36 5.632 7.360 -12.949 1.00 0.00 N ATOM 486 CA GLY A 36 4.282 6.981 -12.578 1.00 0.00 C ATOM 487 C GLY A 36 3.258 7.393 -13.618 1.00 0.00 C ATOM 488 O GLY A 36 2.349 6.629 -13.939 1.00 0.00 O ATOM 0 H GLY A 36 6.185 7.768 -12.195 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.237 5.901 -12.436 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.029 7.439 -11.622 1.00 0.00 H new ATOM 492 N ASN A 37 3.404 8.605 -14.143 1.00 0.00 N ATOM 493 CA ASN A 37 2.483 9.118 -15.150 1.00 0.00 C ATOM 494 C ASN A 37 2.985 8.805 -16.556 1.00 0.00 C ATOM 495 O ASN A 37 4.072 9.220 -16.961 1.00 0.00 O ATOM 496 CB ASN A 37 2.303 10.628 -14.985 1.00 0.00 C ATOM 497 CG ASN A 37 0.979 11.117 -15.540 1.00 0.00 C ATOM 498 OD1 ASN A 37 0.031 10.345 -15.684 1.00 0.00 O ATOM 499 ND2 ASN A 37 0.909 12.405 -15.856 1.00 0.00 N ATOM 0 H ASN A 37 4.152 9.250 -13.888 1.00 0.00 H new ATOM 0 HA ASN A 37 1.520 8.627 -15.009 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.368 10.885 -13.928 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.119 11.146 -15.490 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.044 12.791 -16.235 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.720 13.008 -15.720 1.00 0.00 H new ATOM 506 N PRO A 38 2.177 8.056 -17.321 1.00 0.00 N ATOM 507 CA PRO A 38 2.517 7.673 -18.694 1.00 0.00 C ATOM 508 C PRO A 38 2.487 8.858 -19.652 1.00 0.00 C ATOM 509 O PRO A 38 2.725 8.707 -20.850 1.00 0.00 O ATOM 510 CB PRO A 38 1.428 6.661 -19.060 1.00 0.00 C ATOM 511 CG PRO A 38 0.274 7.015 -18.187 1.00 0.00 C ATOM 512 CD PRO A 38 0.867 7.528 -16.904 1.00 0.00 C ATOM 0 HA PRO A 38 3.529 7.276 -18.767 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.162 6.729 -20.115 1.00 0.00 H new ATOM 0 HB3 PRO A 38 1.761 5.639 -18.881 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.353 7.772 -18.657 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.358 6.146 -18.005 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.245 8.303 -16.456 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.971 6.735 -16.164 1.00 0.00 H new ATOM 520 N ARG A 39 2.194 10.039 -19.116 1.00 0.00 N ATOM 521 CA ARG A 39 2.132 11.250 -19.924 1.00 0.00 C ATOM 522 C ARG A 39 3.518 11.866 -20.089 1.00 0.00 C ATOM 523 O ARG A 39 4.047 11.941 -21.198 1.00 0.00 O ATOM 524 CB ARG A 39 1.184 12.267 -19.286 1.00 0.00 C ATOM 525 CG ARG A 39 0.669 13.315 -20.259 1.00 0.00 C ATOM 526 CD ARG A 39 -0.718 13.803 -19.871 1.00 0.00 C ATOM 527 NE ARG A 39 -1.771 12.968 -20.444 1.00 0.00 N ATOM 528 CZ ARG A 39 -1.971 12.832 -21.750 1.00 0.00 C ATOM 529 NH1 ARG A 39 -1.194 13.470 -22.614 1.00 0.00 N ATOM 530 NH2 ARG A 39 -2.950 12.054 -22.195 1.00 0.00 N ATOM 0 H ARG A 39 1.996 10.182 -18.126 1.00 0.00 H new ATOM 0 HA ARG A 39 1.754 10.979 -20.910 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.335 11.738 -18.853 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.700 12.767 -18.466 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.359 14.159 -20.285 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.640 12.896 -21.265 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.810 13.808 -18.785 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.848 14.832 -20.207 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.386 12.462 -19.807 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.440 14.068 -22.277 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.351 13.363 -23.616 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.549 11.560 -21.534 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.103 11.950 -23.198 1.00 0.00 H new ATOM 544 N ASP A 40 4.100 12.305 -18.979 1.00 0.00 N ATOM 545 CA ASP A 40 5.426 12.913 -18.999 1.00 0.00 C ATOM 546 C ASP A 40 6.446 12.015 -18.306 1.00 0.00 C ATOM 547 O ASP A 40 6.283 11.627 -17.149 1.00 0.00 O ATOM 548 CB ASP A 40 5.391 14.284 -18.323 1.00 0.00 C ATOM 549 CG ASP A 40 4.984 15.390 -19.276 1.00 0.00 C ATOM 550 OD1 ASP A 40 3.768 15.555 -19.508 1.00 0.00 O ATOM 551 OD2 ASP A 40 5.880 16.090 -19.792 1.00 0.00 O ATOM 0 H ASP A 40 3.675 12.251 -18.053 1.00 0.00 H new ATOM 0 HA ASP A 40 5.727 13.037 -20.039 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.694 14.255 -17.486 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.375 14.508 -17.911 1.00 0.00 H new ATOM 556 N PRO A 41 7.524 11.677 -19.029 1.00 0.00 N ATOM 557 CA PRO A 41 8.592 10.821 -18.504 1.00 0.00 C ATOM 558 C PRO A 41 9.414 11.516 -17.423 1.00 0.00 C ATOM 559 O PRO A 41 10.216 10.884 -16.735 1.00 0.00 O ATOM 560 CB PRO A 41 9.458 10.538 -19.734 1.00 0.00 C ATOM 561 CG PRO A 41 9.212 11.693 -20.643 1.00 0.00 C ATOM 562 CD PRO A 41 7.784 12.104 -20.414 1.00 0.00 C ATOM 0 HA PRO A 41 8.197 9.923 -18.028 1.00 0.00 H new ATOM 0 HB2 PRO A 41 10.512 10.461 -19.467 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.180 9.596 -20.206 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.894 12.514 -20.424 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.375 11.412 -21.684 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.651 13.179 -20.535 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.108 11.618 -21.118 1.00 0.00 H new ATOM 570 N THR A 42 9.208 12.821 -17.277 1.00 0.00 N ATOM 571 CA THR A 42 9.930 13.602 -16.281 1.00 0.00 C ATOM 572 C THR A 42 9.190 13.610 -14.948 1.00 0.00 C ATOM 573 O THR A 42 9.112 14.639 -14.277 1.00 0.00 O ATOM 574 CB THR A 42 10.138 15.055 -16.748 1.00 0.00 C ATOM 575 OG1 THR A 42 8.871 15.680 -16.985 1.00 0.00 O ATOM 576 CG2 THR A 42 10.976 15.100 -18.017 1.00 0.00 C ATOM 0 H THR A 42 8.547 13.359 -17.836 1.00 0.00 H new ATOM 0 HA THR A 42 10.903 13.128 -16.152 1.00 0.00 H new ATOM 0 HB THR A 42 10.667 15.594 -15.962 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.012 16.604 -17.280 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.110 16.136 -18.328 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.950 14.650 -17.826 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.469 14.546 -18.807 1.00 0.00 H new ATOM 584 N ASP A 43 8.650 12.457 -14.569 1.00 0.00 N ATOM 585 CA ASP A 43 7.918 12.331 -13.314 1.00 0.00 C ATOM 586 C ASP A 43 8.332 11.067 -12.568 1.00 0.00 C ATOM 587 O ASP A 43 7.738 10.005 -12.752 1.00 0.00 O ATOM 588 CB ASP A 43 6.411 12.313 -13.578 1.00 0.00 C ATOM 589 CG ASP A 43 5.602 12.197 -12.301 1.00 0.00 C ATOM 590 OD1 ASP A 43 5.942 12.888 -11.318 1.00 0.00 O ATOM 591 OD2 ASP A 43 4.628 11.416 -12.286 1.00 0.00 O ATOM 0 H ASP A 43 8.705 11.596 -15.113 1.00 0.00 H new ATOM 0 HA ASP A 43 8.160 13.193 -12.692 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.126 13.224 -14.104 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.170 11.477 -14.235 1.00 0.00 H new ATOM 596 N GLU A 44 9.354 11.189 -11.728 1.00 0.00 N ATOM 597 CA GLU A 44 9.848 10.055 -10.956 1.00 0.00 C ATOM 598 C GLU A 44 9.130 9.957 -9.613 1.00 0.00 C ATOM 599 O GLU A 44 9.697 9.489 -8.626 1.00 0.00 O ATOM 600 CB GLU A 44 11.357 10.180 -10.733 1.00 0.00 C ATOM 601 CG GLU A 44 12.149 10.363 -12.016 1.00 0.00 C ATOM 602 CD GLU A 44 11.833 11.671 -12.715 1.00 0.00 C ATOM 603 OE1 GLU A 44 12.087 12.739 -12.120 1.00 0.00 O ATOM 604 OE2 GLU A 44 11.331 11.626 -13.858 1.00 0.00 O ATOM 0 H GLU A 44 9.856 12.062 -11.564 1.00 0.00 H new ATOM 0 HA GLU A 44 9.646 9.146 -11.523 1.00 0.00 H new ATOM 0 HB2 GLU A 44 11.549 11.026 -10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.715 9.288 -10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.215 10.325 -11.789 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.937 9.534 -12.691 1.00 0.00 H new ATOM 611 N GLY A 45 7.878 10.403 -9.583 1.00 0.00 N ATOM 612 CA GLY A 45 7.103 10.358 -8.357 1.00 0.00 C ATOM 613 C GLY A 45 6.874 8.942 -7.868 1.00 0.00 C ATOM 614 O GLY A 45 7.030 7.984 -8.626 1.00 0.00 O ATOM 0 H GLY A 45 7.386 10.795 -10.386 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.619 10.927 -7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.141 10.843 -8.521 1.00 0.00 H new ATOM 618 N ILE A 46 6.504 8.809 -6.599 1.00 0.00 N ATOM 619 CA ILE A 46 6.253 7.499 -6.010 1.00 0.00 C ATOM 620 C ILE A 46 4.905 7.465 -5.298 1.00 0.00 C ATOM 621 O ILE A 46 4.678 8.204 -4.340 1.00 0.00 O ATOM 622 CB ILE A 46 7.359 7.110 -5.011 1.00 0.00 C ATOM 623 CG1 ILE A 46 8.728 7.146 -5.693 1.00 0.00 C ATOM 624 CG2 ILE A 46 7.086 5.731 -4.430 1.00 0.00 C ATOM 625 CD1 ILE A 46 9.883 7.260 -4.723 1.00 0.00 C ATOM 0 H ILE A 46 6.371 9.592 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 46 6.246 6.781 -6.830 1.00 0.00 H new ATOM 0 HB ILE A 46 7.362 7.832 -4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.852 6.242 -6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.759 7.989 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.876 5.470 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.127 5.738 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.060 4.996 -5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.822 7.280 -5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.783 8.178 -4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.877 6.404 -4.048 1.00 0.00 H new ATOM 637 N PHE A 47 4.014 6.600 -5.771 1.00 0.00 N ATOM 638 CA PHE A 47 2.688 6.468 -5.180 1.00 0.00 C ATOM 639 C PHE A 47 2.343 5.002 -4.939 1.00 0.00 C ATOM 640 O PHE A 47 3.154 4.112 -5.196 1.00 0.00 O ATOM 641 CB PHE A 47 1.635 7.109 -6.087 1.00 0.00 C ATOM 642 CG PHE A 47 2.035 8.461 -6.606 1.00 0.00 C ATOM 643 CD1 PHE A 47 3.139 8.602 -7.430 1.00 0.00 C ATOM 644 CD2 PHE A 47 1.305 9.590 -6.270 1.00 0.00 C ATOM 645 CE1 PHE A 47 3.509 9.845 -7.910 1.00 0.00 C ATOM 646 CE2 PHE A 47 1.670 10.835 -6.747 1.00 0.00 C ATOM 647 CZ PHE A 47 2.774 10.962 -7.567 1.00 0.00 C ATOM 0 H PHE A 47 4.187 5.980 -6.562 1.00 0.00 H new ATOM 0 HA PHE A 47 2.693 6.984 -4.220 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.442 6.447 -6.931 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.700 7.202 -5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 47 3.718 7.731 -7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.441 9.496 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.372 9.942 -8.552 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.093 11.707 -6.479 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.062 11.934 -7.939 1.00 0.00 H new ATOM 657 N ILE A 48 1.134 4.758 -4.444 1.00 0.00 N ATOM 658 CA ILE A 48 0.681 3.400 -4.169 1.00 0.00 C ATOM 659 C ILE A 48 0.042 2.773 -5.403 1.00 0.00 C ATOM 660 O ILE A 48 -0.778 3.398 -6.076 1.00 0.00 O ATOM 661 CB ILE A 48 -0.330 3.368 -3.008 1.00 0.00 C ATOM 662 CG1 ILE A 48 0.321 3.876 -1.721 1.00 0.00 C ATOM 663 CG2 ILE A 48 -0.870 1.959 -2.815 1.00 0.00 C ATOM 664 CD1 ILE A 48 -0.595 3.824 -0.518 1.00 0.00 C ATOM 0 H ILE A 48 0.451 5.483 -4.225 1.00 0.00 H new ATOM 0 HA ILE A 48 1.563 2.824 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.164 4.025 -3.254 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.212 3.282 -1.515 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.651 4.904 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.583 1.952 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -1.367 1.632 -3.728 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.047 1.282 -2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.066 4.199 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.474 4.441 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.905 2.794 -0.341 1.00 0.00 H new ATOM 676 N SER A 49 0.422 1.533 -5.695 1.00 0.00 N ATOM 677 CA SER A 49 -0.113 0.821 -6.850 1.00 0.00 C ATOM 678 C SER A 49 -0.961 -0.369 -6.410 1.00 0.00 C ATOM 679 O SER A 49 -1.713 -0.937 -7.202 1.00 0.00 O ATOM 680 CB SER A 49 1.025 0.345 -7.754 1.00 0.00 C ATOM 681 OG SER A 49 0.656 -0.823 -8.466 1.00 0.00 O ATOM 0 H SER A 49 1.098 1.001 -5.148 1.00 0.00 H new ATOM 0 HA SER A 49 -0.747 1.509 -7.409 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.290 1.135 -8.457 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.911 0.143 -7.153 1.00 0.00 H new ATOM 0 HG SER A 49 1.400 -1.106 -9.038 1.00 0.00 H new ATOM 687 N LYS A 50 -0.834 -0.740 -5.141 1.00 0.00 N ATOM 688 CA LYS A 50 -1.587 -1.861 -4.592 1.00 0.00 C ATOM 689 C LYS A 50 -1.397 -1.958 -3.082 1.00 0.00 C ATOM 690 O LYS A 50 -0.320 -1.666 -2.562 1.00 0.00 O ATOM 691 CB LYS A 50 -1.151 -3.169 -5.256 1.00 0.00 C ATOM 692 CG LYS A 50 -1.700 -4.410 -4.574 1.00 0.00 C ATOM 693 CD LYS A 50 -0.837 -5.629 -4.855 1.00 0.00 C ATOM 694 CE LYS A 50 -1.190 -6.786 -3.933 1.00 0.00 C ATOM 695 NZ LYS A 50 -0.874 -6.478 -2.511 1.00 0.00 N ATOM 0 H LYS A 50 -0.216 -0.280 -4.473 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.644 -1.691 -4.797 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.474 -3.164 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.062 -3.219 -5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.754 -4.241 -3.498 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.717 -4.596 -4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.967 -5.937 -5.893 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.214 -5.369 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.251 -7.015 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.643 -7.677 -4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.801 -7.364 -1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.030 -5.966 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.630 -5.888 -2.107 1.00 0.00 H new ATOM 709 N VAL A 51 -2.449 -2.371 -2.382 1.00 0.00 N ATOM 710 CA VAL A 51 -2.397 -2.509 -0.932 1.00 0.00 C ATOM 711 C VAL A 51 -3.385 -3.562 -0.444 1.00 0.00 C ATOM 712 O VAL A 51 -4.598 -3.361 -0.495 1.00 0.00 O ATOM 713 CB VAL A 51 -2.701 -1.172 -0.230 1.00 0.00 C ATOM 714 CG1 VAL A 51 -3.769 -0.400 -0.990 1.00 0.00 C ATOM 715 CG2 VAL A 51 -3.128 -1.412 1.210 1.00 0.00 C ATOM 0 H VAL A 51 -3.348 -2.616 -2.797 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.384 -2.822 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.791 -0.572 -0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.970 0.542 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.420 -0.196 -2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.683 -0.992 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.339 -0.457 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.025 -2.032 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.327 -1.920 1.747 1.00 0.00 H new ATOM 725 N SER A 52 -2.857 -4.686 0.030 1.00 0.00 N ATOM 726 CA SER A 52 -3.692 -5.774 0.525 1.00 0.00 C ATOM 727 C SER A 52 -4.664 -5.272 1.588 1.00 0.00 C ATOM 728 O SER A 52 -4.283 -4.600 2.547 1.00 0.00 O ATOM 729 CB SER A 52 -2.822 -6.893 1.101 1.00 0.00 C ATOM 730 OG SER A 52 -3.500 -8.136 1.065 1.00 0.00 O ATOM 0 H SER A 52 -1.855 -4.867 0.082 1.00 0.00 H new ATOM 0 HA SER A 52 -4.268 -6.167 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.894 -6.965 0.534 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.550 -6.654 2.129 1.00 0.00 H new ATOM 0 HG SER A 52 -2.922 -8.835 1.437 1.00 0.00 H new ATOM 736 N PRO A 53 -5.952 -5.605 1.416 1.00 0.00 N ATOM 737 CA PRO A 53 -7.007 -5.199 2.350 1.00 0.00 C ATOM 738 C PRO A 53 -6.899 -5.916 3.692 1.00 0.00 C ATOM 739 O PRO A 53 -7.634 -5.610 4.632 1.00 0.00 O ATOM 740 CB PRO A 53 -8.295 -5.604 1.629 1.00 0.00 C ATOM 741 CG PRO A 53 -7.887 -6.712 0.720 1.00 0.00 C ATOM 742 CD PRO A 53 -6.478 -6.403 0.296 1.00 0.00 C ATOM 0 HA PRO A 53 -6.953 -4.137 2.590 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -9.058 -5.932 2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -8.716 -4.768 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -7.939 -7.674 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.550 -6.773 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -5.896 -7.312 0.142 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -6.453 -5.846 -0.641 1.00 0.00 H new ATOM 750 N THR A 54 -5.979 -6.872 3.775 1.00 0.00 N ATOM 751 CA THR A 54 -5.776 -7.632 5.002 1.00 0.00 C ATOM 752 C THR A 54 -4.508 -7.188 5.721 1.00 0.00 C ATOM 753 O THR A 54 -4.333 -7.450 6.910 1.00 0.00 O ATOM 754 CB THR A 54 -5.689 -9.144 4.718 1.00 0.00 C ATOM 755 OG1 THR A 54 -4.476 -9.441 4.017 1.00 0.00 O ATOM 756 CG2 THR A 54 -6.882 -9.610 3.898 1.00 0.00 C ATOM 0 H THR A 54 -5.363 -7.138 3.007 1.00 0.00 H new ATOM 0 HA THR A 54 -6.638 -7.438 5.640 1.00 0.00 H new ATOM 0 HB THR A 54 -5.696 -9.672 5.672 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.427 -10.404 3.841 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.799 -10.680 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.802 -9.409 4.447 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.902 -9.075 2.948 1.00 0.00 H new ATOM 764 N GLY A 55 -3.625 -6.513 4.991 1.00 0.00 N ATOM 765 CA GLY A 55 -2.383 -6.042 5.578 1.00 0.00 C ATOM 766 C GLY A 55 -2.606 -4.961 6.617 1.00 0.00 C ATOM 767 O GLY A 55 -3.743 -4.572 6.883 1.00 0.00 O ATOM 0 H GLY A 55 -3.747 -6.284 4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.861 -6.881 6.038 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.736 -5.657 4.790 1.00 0.00 H new ATOM 771 N ALA A 56 -1.518 -4.477 7.207 1.00 0.00 N ATOM 772 CA ALA A 56 -1.600 -3.434 8.223 1.00 0.00 C ATOM 773 C ALA A 56 -2.298 -2.192 7.679 1.00 0.00 C ATOM 774 O ALA A 56 -3.077 -1.549 8.382 1.00 0.00 O ATOM 775 CB ALA A 56 -0.210 -3.082 8.730 1.00 0.00 C ATOM 0 H ALA A 56 -0.570 -4.790 6.999 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.192 -3.816 9.055 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.286 -2.302 9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.254 -3.967 9.165 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.400 -2.724 7.901 1.00 0.00 H new ATOM 781 N ALA A 57 -2.012 -1.859 6.425 1.00 0.00 N ATOM 782 CA ALA A 57 -2.613 -0.695 5.787 1.00 0.00 C ATOM 783 C ALA A 57 -4.066 -0.963 5.411 1.00 0.00 C ATOM 784 O ALA A 57 -4.980 -0.321 5.926 1.00 0.00 O ATOM 785 CB ALA A 57 -1.812 -0.294 4.557 1.00 0.00 C ATOM 0 H ALA A 57 -1.367 -2.380 5.830 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.597 0.128 6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.273 0.577 4.091 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.791 -0.051 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.798 -1.121 3.847 1.00 0.00 H new ATOM 791 N GLY A 58 -4.272 -1.918 4.508 1.00 0.00 N ATOM 792 CA GLY A 58 -5.617 -2.254 4.077 1.00 0.00 C ATOM 793 C GLY A 58 -6.621 -2.190 5.211 1.00 0.00 C ATOM 794 O GLY A 58 -7.686 -1.588 5.072 1.00 0.00 O ATOM 0 H GLY A 58 -3.532 -2.464 4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.923 -1.570 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.619 -3.257 3.650 1.00 0.00 H new ATOM 798 N ARG A 59 -6.283 -2.813 6.335 1.00 0.00 N ATOM 799 CA ARG A 59 -7.165 -2.827 7.495 1.00 0.00 C ATOM 800 C ARG A 59 -7.235 -1.446 8.142 1.00 0.00 C ATOM 801 O ARG A 59 -8.258 -1.068 8.712 1.00 0.00 O ATOM 802 CB ARG A 59 -6.682 -3.857 8.518 1.00 0.00 C ATOM 803 CG ARG A 59 -5.431 -3.429 9.268 1.00 0.00 C ATOM 804 CD ARG A 59 -5.038 -4.450 10.325 1.00 0.00 C ATOM 805 NE ARG A 59 -3.644 -4.305 10.734 1.00 0.00 N ATOM 806 CZ ARG A 59 -2.937 -5.280 11.294 1.00 0.00 C ATOM 807 NH1 ARG A 59 -3.492 -6.465 11.511 1.00 0.00 N ATOM 808 NH2 ARG A 59 -1.673 -5.072 11.639 1.00 0.00 N ATOM 0 H ARG A 59 -5.405 -3.315 6.467 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.164 -3.102 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.480 -4.045 9.236 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.485 -4.799 8.007 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.610 -3.299 8.563 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.602 -2.462 9.741 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.685 -4.338 11.195 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.199 -5.455 9.936 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.188 -3.405 10.581 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.464 -6.629 11.248 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.947 -7.212 11.941 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.243 -4.162 11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.132 -5.822 12.069 1.00 0.00 H new ATOM 822 N ASP A 60 -6.141 -0.699 8.048 1.00 0.00 N ATOM 823 CA ASP A 60 -6.077 0.639 8.623 1.00 0.00 C ATOM 824 C ASP A 60 -7.346 1.426 8.309 1.00 0.00 C ATOM 825 O ASP A 60 -8.078 1.830 9.211 1.00 0.00 O ATOM 826 CB ASP A 60 -4.853 1.388 8.093 1.00 0.00 C ATOM 827 CG ASP A 60 -4.624 2.704 8.810 1.00 0.00 C ATOM 828 OD1 ASP A 60 -4.930 2.783 10.018 1.00 0.00 O ATOM 829 OD2 ASP A 60 -4.137 3.654 8.163 1.00 0.00 O ATOM 0 H ASP A 60 -5.286 -0.998 7.579 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.991 0.539 9.705 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.970 0.759 8.204 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.979 1.576 7.027 1.00 0.00 H new ATOM 834 N GLY A 61 -7.599 1.641 7.021 1.00 0.00 N ATOM 835 CA GLY A 61 -8.779 2.380 6.611 1.00 0.00 C ATOM 836 C GLY A 61 -8.435 3.650 5.859 1.00 0.00 C ATOM 837 O GLY A 61 -9.267 4.194 5.132 1.00 0.00 O ATOM 0 H GLY A 61 -7.008 1.317 6.255 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.401 1.745 5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.371 2.632 7.491 1.00 0.00 H new ATOM 841 N ARG A 62 -7.207 4.126 6.035 1.00 0.00 N ATOM 842 CA ARG A 62 -6.756 5.342 5.370 1.00 0.00 C ATOM 843 C ARG A 62 -5.922 5.010 4.135 1.00 0.00 C ATOM 844 O ARG A 62 -6.136 5.571 3.060 1.00 0.00 O ATOM 845 CB ARG A 62 -5.937 6.203 6.334 1.00 0.00 C ATOM 846 CG ARG A 62 -6.578 6.360 7.703 1.00 0.00 C ATOM 847 CD ARG A 62 -7.526 7.549 7.742 1.00 0.00 C ATOM 848 NE ARG A 62 -8.828 7.229 7.162 1.00 0.00 N ATOM 849 CZ ARG A 62 -9.857 8.069 7.159 1.00 0.00 C ATOM 850 NH1 ARG A 62 -9.737 9.272 7.701 1.00 0.00 N ATOM 851 NH2 ARG A 62 -11.010 7.705 6.611 1.00 0.00 N ATOM 0 H ARG A 62 -6.506 3.688 6.633 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.637 5.900 5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.948 5.760 6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.793 7.190 5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.123 5.451 7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.801 6.488 8.457 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.659 7.873 8.774 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.083 8.384 7.200 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.954 6.311 6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.852 9.556 8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.529 9.915 7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.106 6.780 6.192 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.800 8.350 6.609 1.00 0.00 H new ATOM 865 N LEU A 63 -4.973 4.095 4.298 1.00 0.00 N ATOM 866 CA LEU A 63 -4.107 3.688 3.197 1.00 0.00 C ATOM 867 C LEU A 63 -4.921 3.078 2.060 1.00 0.00 C ATOM 868 O LEU A 63 -5.750 2.196 2.281 1.00 0.00 O ATOM 869 CB LEU A 63 -3.063 2.683 3.688 1.00 0.00 C ATOM 870 CG LEU A 63 -1.760 2.625 2.891 1.00 0.00 C ATOM 871 CD1 LEU A 63 -2.034 2.230 1.448 1.00 0.00 C ATOM 872 CD2 LEU A 63 -1.037 3.963 2.952 1.00 0.00 C ATOM 0 H LEU A 63 -4.784 3.621 5.181 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.599 4.576 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.821 2.918 4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -3.513 1.690 3.683 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.117 1.867 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.095 2.194 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.507 1.249 1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.696 2.964 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.112 3.903 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.675 4.741 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.806 4.205 3.989 1.00 0.00 H new ATOM 884 N ARG A 64 -4.676 3.554 0.843 1.00 0.00 N ATOM 885 CA ARG A 64 -5.386 3.055 -0.328 1.00 0.00 C ATOM 886 C ARG A 64 -4.641 3.417 -1.610 1.00 0.00 C ATOM 887 O ARG A 64 -4.015 4.473 -1.700 1.00 0.00 O ATOM 888 CB ARG A 64 -6.805 3.624 -0.373 1.00 0.00 C ATOM 889 CG ARG A 64 -6.861 5.134 -0.204 1.00 0.00 C ATOM 890 CD ARG A 64 -8.274 5.663 -0.388 1.00 0.00 C ATOM 891 NE ARG A 64 -8.285 7.035 -0.889 1.00 0.00 N ATOM 892 CZ ARG A 64 -8.097 7.353 -2.165 1.00 0.00 C ATOM 893 NH1 ARG A 64 -7.885 6.402 -3.064 1.00 0.00 N ATOM 894 NH2 ARG A 64 -8.120 8.624 -2.543 1.00 0.00 N ATOM 0 H ARG A 64 -3.992 4.284 0.643 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.440 1.969 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.265 3.356 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.400 3.157 0.412 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.496 5.404 0.787 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.197 5.607 -0.928 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.814 5.019 -1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.804 5.621 0.564 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.446 7.790 -0.223 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.866 5.424 -2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.741 6.649 -4.043 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.282 9.358 -1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -7.976 8.867 -3.523 1.00 0.00 H new ATOM 908 N VAL A 65 -4.713 2.532 -2.600 1.00 0.00 N ATOM 909 CA VAL A 65 -4.046 2.759 -3.877 1.00 0.00 C ATOM 910 C VAL A 65 -4.447 4.102 -4.476 1.00 0.00 C ATOM 911 O VAL A 65 -5.562 4.265 -4.970 1.00 0.00 O ATOM 912 CB VAL A 65 -4.371 1.641 -4.886 1.00 0.00 C ATOM 913 CG1 VAL A 65 -3.774 1.961 -6.248 1.00 0.00 C ATOM 914 CG2 VAL A 65 -3.868 0.300 -4.375 1.00 0.00 C ATOM 0 H VAL A 65 -5.226 1.652 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.974 2.759 -3.679 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.454 1.578 -4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.014 1.160 -6.948 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.188 2.900 -6.615 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.692 2.052 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.106 -0.478 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.788 0.346 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.349 0.069 -3.424 1.00 0.00 H new ATOM 924 N GLY A 66 -3.529 5.062 -4.430 1.00 0.00 N ATOM 925 CA GLY A 66 -3.806 6.380 -4.972 1.00 0.00 C ATOM 926 C GLY A 66 -3.184 7.489 -4.146 1.00 0.00 C ATOM 927 O GLY A 66 -3.145 8.644 -4.573 1.00 0.00 O ATOM 0 H GLY A 66 -2.598 4.951 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.429 6.436 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.885 6.530 -5.022 1.00 0.00 H new ATOM 931 N LEU A 67 -2.699 7.140 -2.960 1.00 0.00 N ATOM 932 CA LEU A 67 -2.077 8.115 -2.071 1.00 0.00 C ATOM 933 C LEU A 67 -0.595 8.277 -2.392 1.00 0.00 C ATOM 934 O LEU A 67 0.161 7.306 -2.390 1.00 0.00 O ATOM 935 CB LEU A 67 -2.251 7.689 -0.612 1.00 0.00 C ATOM 936 CG LEU A 67 -3.691 7.498 -0.136 1.00 0.00 C ATOM 937 CD1 LEU A 67 -3.722 6.738 1.181 1.00 0.00 C ATOM 938 CD2 LEU A 67 -4.388 8.844 0.006 1.00 0.00 C ATOM 0 H LEU A 67 -2.724 6.189 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.570 9.075 -2.224 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.712 6.753 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.776 8.437 0.023 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.226 6.911 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.755 6.612 1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.261 5.759 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.171 7.298 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.412 8.689 0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.853 9.456 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.398 9.352 -0.958 1.00 0.00 H new ATOM 950 N ARG A 68 -0.185 9.512 -2.666 1.00 0.00 N ATOM 951 CA ARG A 68 1.207 9.801 -2.988 1.00 0.00 C ATOM 952 C ARG A 68 2.074 9.765 -1.733 1.00 0.00 C ATOM 953 O ARG A 68 1.881 10.556 -0.808 1.00 0.00 O ATOM 954 CB ARG A 68 1.323 11.170 -3.661 1.00 0.00 C ATOM 955 CG ARG A 68 2.751 11.559 -4.008 1.00 0.00 C ATOM 956 CD ARG A 68 2.857 13.037 -4.353 1.00 0.00 C ATOM 957 NE ARG A 68 4.242 13.502 -4.345 1.00 0.00 N ATOM 958 CZ ARG A 68 4.596 14.759 -4.588 1.00 0.00 C ATOM 959 NH1 ARG A 68 3.672 15.671 -4.857 1.00 0.00 N ATOM 960 NH2 ARG A 68 5.876 15.105 -4.563 1.00 0.00 N ATOM 0 H ARG A 68 -0.797 10.328 -2.671 1.00 0.00 H new ATOM 0 HA ARG A 68 1.561 9.034 -3.676 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.724 11.170 -4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.899 11.927 -3.001 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.406 11.333 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.098 10.961 -4.851 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.421 13.212 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.275 13.619 -3.638 1.00 0.00 H new ATOM 0 HE ARG A 68 4.977 12.825 -4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.687 15.408 -4.878 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.946 16.636 -5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.589 14.406 -4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.147 16.070 -4.750 1.00 0.00 H new ATOM 974 N LEU A 69 3.029 8.842 -1.706 1.00 0.00 N ATOM 975 CA LEU A 69 3.926 8.702 -0.565 1.00 0.00 C ATOM 976 C LEU A 69 4.910 9.865 -0.499 1.00 0.00 C ATOM 977 O LEU A 69 5.761 10.023 -1.376 1.00 0.00 O ATOM 978 CB LEU A 69 4.688 7.378 -0.650 1.00 0.00 C ATOM 979 CG LEU A 69 4.103 6.214 0.150 1.00 0.00 C ATOM 980 CD1 LEU A 69 4.379 6.393 1.634 1.00 0.00 C ATOM 981 CD2 LEU A 69 2.607 6.091 -0.105 1.00 0.00 C ATOM 0 H LEU A 69 3.202 8.179 -2.462 1.00 0.00 H new ATOM 0 HA LEU A 69 3.323 8.710 0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.744 7.081 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.710 7.548 -0.312 1.00 0.00 H new ATOM 0 HG LEU A 69 4.585 5.294 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.955 5.555 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.455 6.431 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.925 7.322 1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.207 5.257 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.110 7.013 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.432 5.914 -1.166 1.00 0.00 H new ATOM 993 N LEU A 70 4.791 10.676 0.546 1.00 0.00 N ATOM 994 CA LEU A 70 5.672 11.824 0.729 1.00 0.00 C ATOM 995 C LEU A 70 6.905 11.442 1.542 1.00 0.00 C ATOM 996 O LEU A 70 8.036 11.650 1.106 1.00 0.00 O ATOM 997 CB LEU A 70 4.922 12.962 1.423 1.00 0.00 C ATOM 998 CG LEU A 70 3.869 13.684 0.581 1.00 0.00 C ATOM 999 CD1 LEU A 70 3.125 14.710 1.422 1.00 0.00 C ATOM 1000 CD2 LEU A 70 4.514 14.347 -0.627 1.00 0.00 C ATOM 0 H LEU A 70 4.092 10.560 1.280 1.00 0.00 H new ATOM 0 HA LEU A 70 5.999 12.159 -0.255 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.435 12.560 2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.652 13.696 1.764 1.00 0.00 H new ATOM 0 HG LEU A 70 3.150 12.947 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.380 15.214 0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.630 14.209 2.254 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.832 15.444 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.750 14.856 -1.214 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.256 15.072 -0.291 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.999 13.589 -1.242 1.00 0.00 H new ATOM 1012 N GLU A 71 6.676 10.879 2.724 1.00 0.00 N ATOM 1013 CA GLU A 71 7.768 10.466 3.597 1.00 0.00 C ATOM 1014 C GLU A 71 7.359 9.271 4.453 1.00 0.00 C ATOM 1015 O GLU A 71 6.214 9.172 4.893 1.00 0.00 O ATOM 1016 CB GLU A 71 8.200 11.627 4.495 1.00 0.00 C ATOM 1017 CG GLU A 71 8.484 12.912 3.735 1.00 0.00 C ATOM 1018 CD GLU A 71 9.370 13.866 4.513 1.00 0.00 C ATOM 1019 OE1 GLU A 71 9.955 13.437 5.529 1.00 0.00 O ATOM 1020 OE2 GLU A 71 9.478 15.041 4.106 1.00 0.00 O ATOM 0 H GLU A 71 5.745 10.699 3.099 1.00 0.00 H new ATOM 0 HA GLU A 71 8.608 10.170 2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.419 11.816 5.232 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.094 11.336 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.962 12.670 2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.542 13.407 3.500 1.00 0.00 H new ATOM 1027 N VAL A 72 8.304 8.365 4.685 1.00 0.00 N ATOM 1028 CA VAL A 72 8.043 7.177 5.489 1.00 0.00 C ATOM 1029 C VAL A 72 8.883 7.179 6.761 1.00 0.00 C ATOM 1030 O VAL A 72 10.101 7.014 6.712 1.00 0.00 O ATOM 1031 CB VAL A 72 8.334 5.889 4.696 1.00 0.00 C ATOM 1032 CG1 VAL A 72 8.153 4.665 5.581 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.440 5.806 3.468 1.00 0.00 C ATOM 0 H VAL A 72 9.257 8.431 4.327 1.00 0.00 H new ATOM 0 HA VAL A 72 6.986 7.200 5.756 1.00 0.00 H new ATOM 0 HB VAL A 72 9.371 5.916 4.361 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.363 3.764 5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.839 4.722 6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.127 4.630 5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.659 4.890 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.395 5.802 3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.624 6.667 2.825 1.00 0.00 H new ATOM 1043 N ASN A 73 8.223 7.365 7.899 1.00 0.00 N ATOM 1044 CA ASN A 73 8.909 7.388 9.186 1.00 0.00 C ATOM 1045 C ASN A 73 9.846 8.588 9.281 1.00 0.00 C ATOM 1046 O ASN A 73 10.963 8.476 9.786 1.00 0.00 O ATOM 1047 CB ASN A 73 9.698 6.093 9.390 1.00 0.00 C ATOM 1048 CG ASN A 73 8.917 5.059 10.178 1.00 0.00 C ATOM 1049 OD1 ASN A 73 8.031 5.399 10.962 1.00 0.00 O ATOM 1050 ND2 ASN A 73 9.245 3.788 9.974 1.00 0.00 N ATOM 0 H ASN A 73 7.214 7.502 7.957 1.00 0.00 H new ATOM 0 HA ASN A 73 8.156 7.474 9.970 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.968 5.678 8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.629 6.316 9.911 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.755 3.048 10.477 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.986 3.552 9.314 1.00 0.00 H new ATOM 1057 N GLN A 74 9.383 9.734 8.793 1.00 0.00 N ATOM 1058 CA GLN A 74 10.181 10.954 8.823 1.00 0.00 C ATOM 1059 C GLN A 74 11.427 10.812 7.956 1.00 0.00 C ATOM 1060 O GLN A 74 12.463 11.413 8.240 1.00 0.00 O ATOM 1061 CB GLN A 74 10.580 11.292 10.260 1.00 0.00 C ATOM 1062 CG GLN A 74 9.411 11.720 11.133 1.00 0.00 C ATOM 1063 CD GLN A 74 9.660 11.467 12.607 1.00 0.00 C ATOM 1064 OE1 GLN A 74 10.359 12.233 13.270 1.00 0.00 O ATOM 1065 NE2 GLN A 74 9.087 10.388 13.128 1.00 0.00 N ATOM 0 H GLN A 74 8.460 9.843 8.372 1.00 0.00 H new ATOM 0 HA GLN A 74 9.573 11.765 8.422 1.00 0.00 H new ATOM 0 HB2 GLN A 74 11.058 10.422 10.709 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.322 12.091 10.244 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.216 12.781 10.978 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.515 11.183 10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.515 9.780 12.541 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.219 10.167 14.115 1.00 0.00 H new ATOM 1074 N GLN A 75 11.319 10.012 6.900 1.00 0.00 N ATOM 1075 CA GLN A 75 12.439 9.791 5.993 1.00 0.00 C ATOM 1076 C GLN A 75 12.048 10.121 4.556 1.00 0.00 C ATOM 1077 O GLN A 75 11.572 9.258 3.818 1.00 0.00 O ATOM 1078 CB GLN A 75 12.917 8.340 6.084 1.00 0.00 C ATOM 1079 CG GLN A 75 13.289 7.910 7.493 1.00 0.00 C ATOM 1080 CD GLN A 75 14.368 6.845 7.512 1.00 0.00 C ATOM 1081 OE1 GLN A 75 15.021 6.589 6.501 1.00 0.00 O ATOM 1082 NE2 GLN A 75 14.561 6.219 8.667 1.00 0.00 N ATOM 0 H GLN A 75 10.468 9.507 6.652 1.00 0.00 H new ATOM 0 HA GLN A 75 13.252 10.453 6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.132 7.683 5.708 1.00 0.00 H new ATOM 0 HB3 GLN A 75 13.781 8.209 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.631 8.779 8.056 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.401 7.532 8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 75 13.996 6.464 9.480 1.00 0.00 H new ATOM 0 HE22 GLN A 75 15.274 5.494 8.741 1.00 0.00 H new ATOM 1091 N SER A 76 12.253 11.374 4.165 1.00 0.00 N ATOM 1092 CA SER A 76 11.918 11.820 2.817 1.00 0.00 C ATOM 1093 C SER A 76 12.373 10.798 1.779 1.00 0.00 C ATOM 1094 O SER A 76 13.499 10.301 1.832 1.00 0.00 O ATOM 1095 CB SER A 76 12.564 13.177 2.531 1.00 0.00 C ATOM 1096 OG SER A 76 12.236 13.633 1.230 1.00 0.00 O ATOM 0 H SER A 76 12.650 12.099 4.762 1.00 0.00 H new ATOM 0 HA SER A 76 10.835 11.921 2.752 1.00 0.00 H new ATOM 0 HB2 SER A 76 12.230 13.905 3.270 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.647 13.096 2.629 1.00 0.00 H new ATOM 0 HG SER A 76 12.659 14.503 1.072 1.00 0.00 H new ATOM 1102 N LEU A 77 11.491 10.490 0.836 1.00 0.00 N ATOM 1103 CA LEU A 77 11.800 9.527 -0.216 1.00 0.00 C ATOM 1104 C LEU A 77 12.444 10.218 -1.414 1.00 0.00 C ATOM 1105 O LEU A 77 12.654 9.603 -2.460 1.00 0.00 O ATOM 1106 CB LEU A 77 10.530 8.797 -0.656 1.00 0.00 C ATOM 1107 CG LEU A 77 9.604 8.326 0.466 1.00 0.00 C ATOM 1108 CD1 LEU A 77 8.257 7.901 -0.097 1.00 0.00 C ATOM 1109 CD2 LEU A 77 10.244 7.184 1.241 1.00 0.00 C ATOM 0 H LEU A 77 10.556 10.893 0.777 1.00 0.00 H new ATOM 0 HA LEU A 77 12.508 8.802 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.965 9.457 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.820 7.929 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 77 9.442 9.158 1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.611 7.569 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.793 8.745 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.400 7.084 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.571 6.861 2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.436 6.349 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.184 7.522 1.677 1.00 0.00 H new ATOM 1121 N LEU A 78 12.757 11.499 -1.253 1.00 0.00 N ATOM 1122 CA LEU A 78 13.380 12.274 -2.321 1.00 0.00 C ATOM 1123 C LEU A 78 14.865 11.945 -2.437 1.00 0.00 C ATOM 1124 O LEU A 78 15.641 12.198 -1.517 1.00 0.00 O ATOM 1125 CB LEU A 78 13.196 13.771 -2.066 1.00 0.00 C ATOM 1126 CG LEU A 78 13.198 14.668 -3.304 1.00 0.00 C ATOM 1127 CD1 LEU A 78 14.602 14.786 -3.876 1.00 0.00 C ATOM 1128 CD2 LEU A 78 12.236 14.131 -4.353 1.00 0.00 C ATOM 0 H LEU A 78 12.590 12.023 -0.394 1.00 0.00 H new ATOM 0 HA LEU A 78 12.893 12.009 -3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.253 13.916 -1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.990 14.106 -1.398 1.00 0.00 H new ATOM 0 HG LEU A 78 12.864 15.663 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 78 14.583 15.428 -4.757 1.00 0.00 H new ATOM 0 HD12 LEU A 78 15.265 15.217 -3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 78 14.965 13.797 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 78 12.250 14.782 -5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 78 12.540 13.125 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.228 14.100 -3.940 1.00 0.00 H new ATOM 1140 N GLY A 79 15.254 11.381 -3.577 1.00 0.00 N ATOM 1141 CA GLY A 79 16.645 11.029 -3.794 1.00 0.00 C ATOM 1142 C GLY A 79 16.848 9.534 -3.941 1.00 0.00 C ATOM 1143 O GLY A 79 17.726 9.090 -4.683 1.00 0.00 O ATOM 0 H GLY A 79 14.630 11.162 -4.354 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.008 11.532 -4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 79 17.243 11.394 -2.959 1.00 0.00 H new ATOM 1147 N LEU A 80 16.038 8.756 -3.233 1.00 0.00 N ATOM 1148 CA LEU A 80 16.134 7.301 -3.287 1.00 0.00 C ATOM 1149 C LEU A 80 15.313 6.744 -4.446 1.00 0.00 C ATOM 1150 O LEU A 80 14.466 7.436 -5.011 1.00 0.00 O ATOM 1151 CB LEU A 80 15.656 6.690 -1.968 1.00 0.00 C ATOM 1152 CG LEU A 80 14.458 7.371 -1.308 1.00 0.00 C ATOM 1153 CD1 LEU A 80 13.646 6.365 -0.507 1.00 0.00 C ATOM 1154 CD2 LEU A 80 14.919 8.516 -0.418 1.00 0.00 C ATOM 0 H LEU A 80 15.307 9.108 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 80 17.179 7.036 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 80 15.402 5.645 -2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 80 16.488 6.700 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 80 13.820 7.780 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.797 6.868 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 80 13.284 5.579 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 80 14.274 5.926 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 80 14.053 8.989 0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 80 15.579 8.130 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 80 15.456 9.250 -1.019 1.00 0.00 H new ATOM 1166 N THR A 81 15.568 5.487 -4.794 1.00 0.00 N ATOM 1167 CA THR A 81 14.853 4.835 -5.884 1.00 0.00 C ATOM 1168 C THR A 81 13.810 3.859 -5.352 1.00 0.00 C ATOM 1169 O THR A 81 13.827 3.498 -4.175 1.00 0.00 O ATOM 1170 CB THR A 81 15.819 4.080 -6.817 1.00 0.00 C ATOM 1171 OG1 THR A 81 16.511 3.062 -6.085 1.00 0.00 O ATOM 1172 CG2 THR A 81 16.824 5.034 -7.443 1.00 0.00 C ATOM 0 H THR A 81 16.265 4.900 -4.336 1.00 0.00 H new ATOM 0 HA THR A 81 14.354 5.622 -6.450 1.00 0.00 H new ATOM 0 HB THR A 81 15.234 3.620 -7.614 1.00 0.00 H new ATOM 0 HG1 THR A 81 17.122 2.585 -6.685 1.00 0.00 H new ATOM 0 HG21 THR A 81 17.495 4.478 -8.097 1.00 0.00 H new ATOM 0 HG22 THR A 81 16.295 5.790 -8.024 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.403 5.519 -6.657 1.00 0.00 H new ATOM 1180 N HIS A 82 12.904 3.434 -6.226 1.00 0.00 N ATOM 1181 CA HIS A 82 11.853 2.498 -5.844 1.00 0.00 C ATOM 1182 C HIS A 82 12.363 1.504 -4.804 1.00 0.00 C ATOM 1183 O HIS A 82 11.837 1.427 -3.695 1.00 0.00 O ATOM 1184 CB HIS A 82 11.337 1.748 -7.072 1.00 0.00 C ATOM 1185 CG HIS A 82 9.925 1.269 -6.932 1.00 0.00 C ATOM 1186 ND1 HIS A 82 9.556 -0.048 -7.108 1.00 0.00 N ATOM 1187 CD2 HIS A 82 8.788 1.938 -6.627 1.00 0.00 C ATOM 1188 CE1 HIS A 82 8.254 -0.168 -6.921 1.00 0.00 C ATOM 1189 NE2 HIS A 82 7.764 1.024 -6.627 1.00 0.00 N ATOM 0 H HIS A 82 12.876 3.723 -7.204 1.00 0.00 H new ATOM 0 HA HIS A 82 11.034 3.069 -5.406 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.406 2.401 -7.942 1.00 0.00 H new ATOM 0 HB3 HIS A 82 11.985 0.893 -7.264 1.00 0.00 H new ATOM 0 HD1 HIS A 82 10.190 -0.811 -7.346 1.00 0.00 H new ATOM 0 HD2 HIS A 82 8.703 2.995 -6.422 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.686 -1.084 -6.996 1.00 0.00 H new ATOM 1198 N GLY A 83 13.391 0.745 -5.172 1.00 0.00 N ATOM 1199 CA GLY A 83 13.953 -0.234 -4.261 1.00 0.00 C ATOM 1200 C GLY A 83 14.213 0.339 -2.882 1.00 0.00 C ATOM 1201 O GLY A 83 13.812 -0.244 -1.875 1.00 0.00 O ATOM 0 H GLY A 83 13.844 0.791 -6.085 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.271 -1.080 -4.177 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.886 -0.616 -4.674 1.00 0.00 H new ATOM 1205 N GLU A 84 14.886 1.485 -2.836 1.00 0.00 N ATOM 1206 CA GLU A 84 15.200 2.135 -1.569 1.00 0.00 C ATOM 1207 C GLU A 84 13.925 2.545 -0.837 1.00 0.00 C ATOM 1208 O GLU A 84 13.741 2.225 0.337 1.00 0.00 O ATOM 1209 CB GLU A 84 16.083 3.362 -1.805 1.00 0.00 C ATOM 1210 CG GLU A 84 17.569 3.047 -1.833 1.00 0.00 C ATOM 1211 CD GLU A 84 18.429 4.294 -1.902 1.00 0.00 C ATOM 1212 OE1 GLU A 84 18.353 5.119 -0.967 1.00 0.00 O ATOM 1213 OE2 GLU A 84 19.177 4.445 -2.890 1.00 0.00 O ATOM 0 H GLU A 84 15.224 1.982 -3.660 1.00 0.00 H new ATOM 0 HA GLU A 84 15.741 1.421 -0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.801 3.826 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.890 4.094 -1.021 1.00 0.00 H new ATOM 0 HG2 GLU A 84 17.833 2.477 -0.942 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.786 2.413 -2.692 1.00 0.00 H new ATOM 1220 N ALA A 85 13.050 3.256 -1.540 1.00 0.00 N ATOM 1221 CA ALA A 85 11.792 3.709 -0.958 1.00 0.00 C ATOM 1222 C ALA A 85 11.034 2.551 -0.319 1.00 0.00 C ATOM 1223 O ALA A 85 10.625 2.627 0.840 1.00 0.00 O ATOM 1224 CB ALA A 85 10.934 4.384 -2.018 1.00 0.00 C ATOM 0 H ALA A 85 13.189 3.531 -2.512 1.00 0.00 H new ATOM 0 HA ALA A 85 12.021 4.433 -0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.998 4.717 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.468 5.243 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.721 3.676 -2.819 1.00 0.00 H new ATOM 1230 N VAL A 86 10.848 1.478 -1.083 1.00 0.00 N ATOM 1231 CA VAL A 86 10.139 0.303 -0.590 1.00 0.00 C ATOM 1232 C VAL A 86 10.739 -0.191 0.721 1.00 0.00 C ATOM 1233 O VAL A 86 10.060 -0.237 1.746 1.00 0.00 O ATOM 1234 CB VAL A 86 10.168 -0.842 -1.620 1.00 0.00 C ATOM 1235 CG1 VAL A 86 9.565 -2.107 -1.029 1.00 0.00 C ATOM 1236 CG2 VAL A 86 9.436 -0.435 -2.890 1.00 0.00 C ATOM 0 H VAL A 86 11.178 1.399 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 86 9.105 0.604 -0.421 1.00 0.00 H new ATOM 0 HB VAL A 86 11.207 -1.049 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.594 -2.905 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.137 -2.407 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.531 -1.917 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.466 -1.256 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.399 -0.199 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.918 0.442 -3.322 1.00 0.00 H new ATOM 1246 N GLN A 87 12.015 -0.560 0.680 1.00 0.00 N ATOM 1247 CA GLN A 87 12.706 -1.051 1.866 1.00 0.00 C ATOM 1248 C GLN A 87 12.509 -0.102 3.043 1.00 0.00 C ATOM 1249 O GLN A 87 12.574 -0.513 4.203 1.00 0.00 O ATOM 1250 CB GLN A 87 14.199 -1.222 1.578 1.00 0.00 C ATOM 1251 CG GLN A 87 14.498 -2.276 0.523 1.00 0.00 C ATOM 1252 CD GLN A 87 13.758 -3.575 0.770 1.00 0.00 C ATOM 1253 OE1 GLN A 87 14.002 -4.264 1.761 1.00 0.00 O ATOM 1254 NE2 GLN A 87 12.846 -3.918 -0.132 1.00 0.00 N ATOM 0 H GLN A 87 12.591 -0.528 -0.161 1.00 0.00 H new ATOM 0 HA GLN A 87 12.280 -2.019 2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.609 -0.266 1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 87 14.711 -1.490 2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.227 -1.889 -0.459 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.570 -2.471 0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.676 -3.318 -0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.316 -4.782 -0.018 1.00 0.00 H new ATOM 1263 N LEU A 88 12.269 1.168 2.739 1.00 0.00 N ATOM 1264 CA LEU A 88 12.062 2.177 3.773 1.00 0.00 C ATOM 1265 C LEU A 88 10.689 2.022 4.418 1.00 0.00 C ATOM 1266 O LEU A 88 10.503 2.343 5.593 1.00 0.00 O ATOM 1267 CB LEU A 88 12.204 3.580 3.180 1.00 0.00 C ATOM 1268 CG LEU A 88 12.748 4.655 4.121 1.00 0.00 C ATOM 1269 CD1 LEU A 88 12.815 6.000 3.415 1.00 0.00 C ATOM 1270 CD2 LEU A 88 11.889 4.750 5.374 1.00 0.00 C ATOM 0 H LEU A 88 12.213 1.524 1.785 1.00 0.00 H new ATOM 0 HA LEU A 88 12.822 2.035 4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.860 3.521 2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 88 11.226 3.901 2.820 1.00 0.00 H new ATOM 0 HG LEU A 88 13.759 4.374 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.205 6.752 4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.472 5.924 2.549 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.816 6.290 3.088 1.00 0.00 H new ATOM 0 HD21 LEU A 88 12.290 5.520 6.033 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.867 5.007 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 88 11.894 3.791 5.892 1.00 0.00 H new ATOM 1282 N LEU A 89 9.730 1.526 3.644 1.00 0.00 N ATOM 1283 CA LEU A 89 8.373 1.326 4.141 1.00 0.00 C ATOM 1284 C LEU A 89 8.277 0.043 4.960 1.00 0.00 C ATOM 1285 O LEU A 89 7.434 -0.075 5.849 1.00 0.00 O ATOM 1286 CB LEU A 89 7.384 1.275 2.974 1.00 0.00 C ATOM 1287 CG LEU A 89 7.114 -0.109 2.383 1.00 0.00 C ATOM 1288 CD1 LEU A 89 6.045 -0.833 3.187 1.00 0.00 C ATOM 1289 CD2 LEU A 89 6.701 0.006 0.923 1.00 0.00 C ATOM 0 H LEU A 89 9.867 1.255 2.670 1.00 0.00 H new ATOM 0 HA LEU A 89 8.121 2.167 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.436 1.696 3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.757 1.921 2.179 1.00 0.00 H new ATOM 0 HG LEU A 89 8.034 -0.691 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.866 -1.816 2.752 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.380 -0.948 4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.121 -0.254 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.513 -0.989 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.794 0.606 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.500 0.483 0.355 1.00 0.00 H new ATOM 1301 N ARG A 90 9.147 -0.914 4.656 1.00 0.00 N ATOM 1302 CA ARG A 90 9.161 -2.188 5.365 1.00 0.00 C ATOM 1303 C ARG A 90 10.212 -2.183 6.470 1.00 0.00 C ATOM 1304 O ARG A 90 10.341 -3.149 7.223 1.00 0.00 O ATOM 1305 CB ARG A 90 9.436 -3.335 4.390 1.00 0.00 C ATOM 1306 CG ARG A 90 10.500 -3.013 3.355 1.00 0.00 C ATOM 1307 CD ARG A 90 10.816 -4.221 2.486 1.00 0.00 C ATOM 1308 NE ARG A 90 9.778 -4.462 1.487 1.00 0.00 N ATOM 1309 CZ ARG A 90 8.673 -5.158 1.729 1.00 0.00 C ATOM 1310 NH1 ARG A 90 8.462 -5.677 2.930 1.00 0.00 N ATOM 1311 NH2 ARG A 90 7.775 -5.334 0.768 1.00 0.00 N ATOM 0 H ARG A 90 9.852 -0.831 3.923 1.00 0.00 H new ATOM 0 HA ARG A 90 8.181 -2.333 5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.745 -4.214 4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 90 8.510 -3.595 3.878 1.00 0.00 H new ATOM 0 HG2 ARG A 90 10.160 -2.190 2.726 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.407 -2.677 3.857 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.772 -4.068 1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.924 -5.103 3.117 1.00 0.00 H new ATOM 0 HE ARG A 90 9.909 -4.075 0.553 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.149 -5.542 3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.612 -6.211 3.113 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.933 -4.935 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.927 -5.869 0.954 1.00 0.00 H new ATOM 1325 N SER A 91 10.962 -1.089 6.562 1.00 0.00 N ATOM 1326 CA SER A 91 12.005 -0.961 7.573 1.00 0.00 C ATOM 1327 C SER A 91 11.448 -0.347 8.854 1.00 0.00 C ATOM 1328 O SER A 91 12.160 0.336 9.590 1.00 0.00 O ATOM 1329 CB SER A 91 13.156 -0.104 7.042 1.00 0.00 C ATOM 1330 OG SER A 91 14.071 -0.885 6.294 1.00 0.00 O ATOM 0 H SER A 91 10.867 -0.279 5.949 1.00 0.00 H new ATOM 0 HA SER A 91 12.379 -1.959 7.802 1.00 0.00 H new ATOM 0 HB2 SER A 91 12.759 0.696 6.416 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.674 0.371 7.875 1.00 0.00 H new ATOM 0 HG SER A 91 13.836 -0.843 5.343 1.00 0.00 H new ATOM 1336 N VAL A 92 10.168 -0.594 9.113 1.00 0.00 N ATOM 1337 CA VAL A 92 9.513 -0.068 10.304 1.00 0.00 C ATOM 1338 C VAL A 92 9.189 -1.183 11.292 1.00 0.00 C ATOM 1339 O VAL A 92 8.843 -2.295 10.896 1.00 0.00 O ATOM 1340 CB VAL A 92 8.215 0.680 9.947 1.00 0.00 C ATOM 1341 CG1 VAL A 92 7.329 -0.181 9.060 1.00 0.00 C ATOM 1342 CG2 VAL A 92 7.476 1.097 11.210 1.00 0.00 C ATOM 0 H VAL A 92 9.564 -1.156 8.513 1.00 0.00 H new ATOM 0 HA VAL A 92 10.211 0.631 10.766 1.00 0.00 H new ATOM 0 HB VAL A 92 8.476 1.581 9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 92 6.417 0.364 8.818 1.00 0.00 H new ATOM 0 HG12 VAL A 92 7.861 -0.424 8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.073 -1.101 9.585 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.561 1.624 10.939 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.225 0.211 11.794 1.00 0.00 H new ATOM 0 HG23 VAL A 92 8.112 1.754 11.803 1.00 0.00 H new ATOM 1352 N GLY A 93 9.303 -0.877 12.581 1.00 0.00 N ATOM 1353 CA GLY A 93 9.018 -1.864 13.605 1.00 0.00 C ATOM 1354 C GLY A 93 7.579 -2.341 13.567 1.00 0.00 C ATOM 1355 O GLY A 93 7.214 -3.168 12.732 1.00 0.00 O ATOM 0 H GLY A 93 9.588 0.037 12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.684 -2.718 13.478 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.230 -1.437 14.585 1.00 0.00 H new ATOM 1359 N ASP A 94 6.761 -1.820 14.475 1.00 0.00 N ATOM 1360 CA ASP A 94 5.354 -2.198 14.543 1.00 0.00 C ATOM 1361 C ASP A 94 4.458 -1.033 14.132 1.00 0.00 C ATOM 1362 O ASP A 94 3.243 -1.184 14.006 1.00 0.00 O ATOM 1363 CB ASP A 94 4.995 -2.660 15.956 1.00 0.00 C ATOM 1364 CG ASP A 94 4.983 -1.518 16.953 1.00 0.00 C ATOM 1365 OD1 ASP A 94 6.077 -1.035 17.315 1.00 0.00 O ATOM 1366 OD2 ASP A 94 3.881 -1.106 17.369 1.00 0.00 O ATOM 0 H ASP A 94 7.048 -1.135 15.174 1.00 0.00 H new ATOM 0 HA ASP A 94 5.191 -3.022 13.848 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.015 -3.136 15.941 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.711 -3.415 16.281 1.00 0.00 H new ATOM 1371 N THR A 95 5.067 0.131 13.925 1.00 0.00 N ATOM 1372 CA THR A 95 4.325 1.322 13.531 1.00 0.00 C ATOM 1373 C THR A 95 5.220 2.307 12.788 1.00 0.00 C ATOM 1374 O THR A 95 6.359 2.551 13.189 1.00 0.00 O ATOM 1375 CB THR A 95 3.708 2.029 14.753 1.00 0.00 C ATOM 1376 OG1 THR A 95 3.139 1.061 15.643 1.00 0.00 O ATOM 1377 CG2 THR A 95 2.637 3.019 14.321 1.00 0.00 C ATOM 0 H THR A 95 6.072 0.274 14.024 1.00 0.00 H new ATOM 0 HA THR A 95 3.525 0.991 12.869 1.00 0.00 H new ATOM 0 HB THR A 95 4.499 2.575 15.268 1.00 0.00 H new ATOM 0 HG1 THR A 95 2.750 1.518 16.418 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.216 3.506 15.200 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.079 3.771 13.667 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.848 2.491 13.786 1.00 0.00 H new ATOM 1385 N LEU A 96 4.700 2.869 11.703 1.00 0.00 N ATOM 1386 CA LEU A 96 5.453 3.829 10.903 1.00 0.00 C ATOM 1387 C LEU A 96 4.663 5.122 10.718 1.00 0.00 C ATOM 1388 O LEU A 96 3.466 5.177 11.002 1.00 0.00 O ATOM 1389 CB LEU A 96 5.796 3.228 9.539 1.00 0.00 C ATOM 1390 CG LEU A 96 4.806 3.517 8.410 1.00 0.00 C ATOM 1391 CD1 LEU A 96 5.415 3.162 7.063 1.00 0.00 C ATOM 1392 CD2 LEU A 96 3.509 2.752 8.629 1.00 0.00 C ATOM 0 H LEU A 96 3.760 2.677 11.357 1.00 0.00 H new ATOM 0 HA LEU A 96 6.377 4.062 11.433 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.777 3.596 9.238 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.882 2.147 9.652 1.00 0.00 H new ATOM 0 HG LEU A 96 4.581 4.583 8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.696 3.374 6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.316 3.754 6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 96 5.670 2.102 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.816 2.970 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.717 1.682 8.652 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.063 3.055 9.576 1.00 0.00 H new ATOM 1404 N THR A 97 5.341 6.160 10.238 1.00 0.00 N ATOM 1405 CA THR A 97 4.704 7.451 10.013 1.00 0.00 C ATOM 1406 C THR A 97 4.717 7.821 8.535 1.00 0.00 C ATOM 1407 O THR A 97 5.691 8.383 8.034 1.00 0.00 O ATOM 1408 CB THR A 97 5.398 8.567 10.817 1.00 0.00 C ATOM 1409 OG1 THR A 97 5.876 8.049 12.063 1.00 0.00 O ATOM 1410 CG2 THR A 97 4.443 9.722 11.074 1.00 0.00 C ATOM 0 H THR A 97 6.332 6.131 9.998 1.00 0.00 H new ATOM 0 HA THR A 97 3.672 7.357 10.351 1.00 0.00 H new ATOM 0 HB THR A 97 6.240 8.936 10.232 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.317 8.764 12.567 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.955 10.498 11.643 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.105 10.133 10.123 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.583 9.364 11.641 1.00 0.00 H new ATOM 1418 N VAL A 98 3.630 7.502 7.840 1.00 0.00 N ATOM 1419 CA VAL A 98 3.516 7.803 6.418 1.00 0.00 C ATOM 1420 C VAL A 98 2.878 9.170 6.194 1.00 0.00 C ATOM 1421 O VAL A 98 1.801 9.457 6.719 1.00 0.00 O ATOM 1422 CB VAL A 98 2.686 6.735 5.682 1.00 0.00 C ATOM 1423 CG1 VAL A 98 3.129 5.338 6.092 1.00 0.00 C ATOM 1424 CG2 VAL A 98 1.202 6.933 5.954 1.00 0.00 C ATOM 0 H VAL A 98 2.816 7.035 8.239 1.00 0.00 H new ATOM 0 HA VAL A 98 4.528 7.807 6.014 1.00 0.00 H new ATOM 0 HB VAL A 98 2.854 6.844 4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.531 4.597 5.562 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.181 5.202 5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.992 5.214 7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.630 6.170 5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 98 1.014 6.851 7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 98 0.897 7.920 5.606 1.00 0.00 H new ATOM 1434 N LEU A 99 3.548 10.009 5.413 1.00 0.00 N ATOM 1435 CA LEU A 99 3.047 11.347 5.119 1.00 0.00 C ATOM 1436 C LEU A 99 2.293 11.366 3.793 1.00 0.00 C ATOM 1437 O LEU A 99 2.312 12.364 3.071 1.00 0.00 O ATOM 1438 CB LEU A 99 4.202 12.348 5.077 1.00 0.00 C ATOM 1439 CG LEU A 99 3.808 13.825 5.018 1.00 0.00 C ATOM 1440 CD1 LEU A 99 2.824 14.160 6.128 1.00 0.00 C ATOM 1441 CD2 LEU A 99 5.043 14.710 5.112 1.00 0.00 C ATOM 0 H LEU A 99 4.440 9.787 4.971 1.00 0.00 H new ATOM 0 HA LEU A 99 2.357 11.633 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.823 12.193 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.821 12.123 4.208 1.00 0.00 H new ATOM 0 HG LEU A 99 3.322 14.014 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.555 15.215 6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.927 13.550 6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.283 13.955 7.095 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.744 15.757 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 99 5.557 14.518 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.713 14.489 4.281 1.00 0.00 H new ATOM 1453 N VAL A 100 1.629 10.259 3.479 1.00 0.00 N ATOM 1454 CA VAL A 100 0.866 10.150 2.241 1.00 0.00 C ATOM 1455 C VAL A 100 -0.246 11.191 2.187 1.00 0.00 C ATOM 1456 O VAL A 100 -0.475 11.920 3.153 1.00 0.00 O ATOM 1457 CB VAL A 100 0.249 8.747 2.084 1.00 0.00 C ATOM 1458 CG1 VAL A 100 1.302 7.673 2.304 1.00 0.00 C ATOM 1459 CG2 VAL A 100 -0.917 8.568 3.045 1.00 0.00 C ATOM 0 H VAL A 100 1.604 9.424 4.065 1.00 0.00 H new ATOM 0 HA VAL A 100 1.564 10.326 1.422 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.130 8.647 1.067 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.848 6.689 2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.101 7.791 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.714 7.767 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.341 7.572 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.566 8.688 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.681 9.316 2.834 1.00 0.00 H new ATOM 1469 N CYS A 101 -0.935 11.255 1.053 1.00 0.00 N ATOM 1470 CA CYS A 101 -2.024 12.209 0.873 1.00 0.00 C ATOM 1471 C CYS A 101 -2.833 11.879 -0.377 1.00 0.00 C ATOM 1472 O CYS A 101 -2.328 11.252 -1.308 1.00 0.00 O ATOM 1473 CB CYS A 101 -1.473 13.632 0.778 1.00 0.00 C ATOM 1474 SG CYS A 101 -0.961 14.116 -0.887 1.00 0.00 S ATOM 0 H CYS A 101 -0.759 10.658 0.245 1.00 0.00 H new ATOM 0 HA CYS A 101 -2.682 12.140 1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -2.234 14.329 1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -0.620 13.725 1.450 1.00 0.00 H new ATOM 0 HG CYS A 101 -0.512 15.336 -0.865 1.00 0.00 H new ATOM 1480 N ASP A 102 -4.092 12.305 -0.390 1.00 0.00 N ATOM 1481 CA ASP A 102 -4.972 12.055 -1.526 1.00 0.00 C ATOM 1482 C ASP A 102 -4.313 12.493 -2.830 1.00 0.00 C ATOM 1483 O ASP A 102 -4.182 13.686 -3.101 1.00 0.00 O ATOM 1484 CB ASP A 102 -6.301 12.788 -1.339 1.00 0.00 C ATOM 1485 CG ASP A 102 -6.118 14.283 -1.170 1.00 0.00 C ATOM 1486 OD1 ASP A 102 -5.861 14.724 -0.030 1.00 0.00 O ATOM 1487 OD2 ASP A 102 -6.234 15.013 -2.176 1.00 0.00 O ATOM 0 H ASP A 102 -4.526 12.825 0.373 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.162 10.983 -1.579 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.942 12.598 -2.200 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.814 12.387 -0.465 1.00 0.00 H new ATOM 1492 N GLY A 103 -3.901 11.519 -3.636 1.00 0.00 N ATOM 1493 CA GLY A 103 -3.260 11.824 -4.901 1.00 0.00 C ATOM 1494 C GLY A 103 -4.224 11.758 -6.070 1.00 0.00 C ATOM 1495 O GLY A 103 -4.359 12.720 -6.827 1.00 0.00 O ATOM 0 H GLY A 103 -4.000 10.524 -3.435 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.821 12.821 -4.852 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.442 11.123 -5.069 1.00 0.00 H new ATOM 1499 N PHE A 104 -4.894 10.620 -6.218 1.00 0.00 N ATOM 1500 CA PHE A 104 -5.848 10.432 -7.305 1.00 0.00 C ATOM 1501 C PHE A 104 -6.712 9.198 -7.062 1.00 0.00 C ATOM 1502 O PHE A 104 -6.231 8.067 -7.134 1.00 0.00 O ATOM 1503 CB PHE A 104 -5.113 10.299 -8.640 1.00 0.00 C ATOM 1504 CG PHE A 104 -3.804 9.570 -8.534 1.00 0.00 C ATOM 1505 CD1 PHE A 104 -2.638 10.254 -8.231 1.00 0.00 C ATOM 1506 CD2 PHE A 104 -3.740 8.201 -8.737 1.00 0.00 C ATOM 1507 CE1 PHE A 104 -1.432 9.586 -8.133 1.00 0.00 C ATOM 1508 CE2 PHE A 104 -2.537 7.527 -8.640 1.00 0.00 C ATOM 1509 CZ PHE A 104 -1.381 8.221 -8.337 1.00 0.00 C ATOM 0 H PHE A 104 -4.794 9.815 -5.600 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.497 11.307 -7.341 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -5.755 9.775 -9.348 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.934 11.294 -9.048 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.672 11.321 -8.070 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.641 7.654 -8.974 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -0.530 10.131 -7.897 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -2.501 6.460 -8.801 1.00 0.00 H new ATOM 0 HZ PHE A 104 -0.440 7.697 -8.260 1.00 0.00 H new ATOM 1519 N GLU A 105 -7.990 9.425 -6.773 1.00 0.00 N ATOM 1520 CA GLU A 105 -8.920 8.331 -6.518 1.00 0.00 C ATOM 1521 C GLU A 105 -8.633 7.147 -7.436 1.00 0.00 C ATOM 1522 O GLU A 105 -8.392 6.033 -6.973 1.00 0.00 O ATOM 1523 CB GLU A 105 -10.362 8.804 -6.712 1.00 0.00 C ATOM 1524 CG GLU A 105 -10.881 9.662 -5.570 1.00 0.00 C ATOM 1525 CD GLU A 105 -10.616 11.140 -5.784 1.00 0.00 C ATOM 1526 OE1 GLU A 105 -11.248 11.731 -6.684 1.00 0.00 O ATOM 1527 OE2 GLU A 105 -9.777 11.704 -5.052 1.00 0.00 O ATOM 0 H GLU A 105 -8.404 10.355 -6.710 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.787 8.007 -5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.427 9.372 -7.640 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.009 7.934 -6.824 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -11.953 9.501 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.412 9.344 -4.639 1.00 0.00 H new ATOM 1534 N SER A 106 -8.662 7.397 -8.741 1.00 0.00 N ATOM 1535 CA SER A 106 -8.410 6.352 -9.726 1.00 0.00 C ATOM 1536 C SER A 106 -9.259 5.118 -9.438 1.00 0.00 C ATOM 1537 O SER A 106 -8.786 3.987 -9.538 1.00 0.00 O ATOM 1538 CB SER A 106 -6.927 5.974 -9.731 1.00 0.00 C ATOM 1539 OG SER A 106 -6.518 5.494 -8.462 1.00 0.00 O ATOM 0 H SER A 106 -8.858 8.315 -9.141 1.00 0.00 H new ATOM 0 HA SER A 106 -8.683 6.739 -10.708 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.746 5.211 -10.488 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.328 6.843 -10.005 1.00 0.00 H new ATOM 0 HG SER A 106 -7.304 5.210 -7.951 1.00 0.00 H new ATOM 1545 N GLY A 107 -10.519 5.345 -9.078 1.00 0.00 N ATOM 1546 CA GLY A 107 -11.416 4.243 -8.781 1.00 0.00 C ATOM 1547 C GLY A 107 -11.407 3.869 -7.312 1.00 0.00 C ATOM 1548 O GLY A 107 -10.374 3.509 -6.747 1.00 0.00 O ATOM 0 H GLY A 107 -10.934 6.272 -8.987 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.429 4.513 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -11.130 3.375 -9.376 1.00 0.00 H new ATOM 1552 N PRO A 108 -12.581 3.955 -6.668 1.00 0.00 N ATOM 1553 CA PRO A 108 -12.730 3.628 -5.247 1.00 0.00 C ATOM 1554 C PRO A 108 -12.580 2.135 -4.977 1.00 0.00 C ATOM 1555 O PRO A 108 -13.184 1.308 -5.660 1.00 0.00 O ATOM 1556 CB PRO A 108 -14.154 4.090 -4.925 1.00 0.00 C ATOM 1557 CG PRO A 108 -14.873 4.037 -6.228 1.00 0.00 C ATOM 1558 CD PRO A 108 -13.852 4.378 -7.278 1.00 0.00 C ATOM 0 HA PRO A 108 -11.964 4.105 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -14.624 3.440 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -14.159 5.098 -4.511 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -15.295 3.047 -6.401 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -15.702 4.744 -6.245 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -14.045 3.850 -8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -13.852 5.443 -7.508 1.00 0.00 H new ATOM 1566 N SER A 109 -11.772 1.797 -3.977 1.00 0.00 N ATOM 1567 CA SER A 109 -11.540 0.403 -3.619 1.00 0.00 C ATOM 1568 C SER A 109 -12.846 -0.282 -3.227 1.00 0.00 C ATOM 1569 O SER A 109 -13.543 0.162 -2.315 1.00 0.00 O ATOM 1570 CB SER A 109 -10.537 0.310 -2.468 1.00 0.00 C ATOM 1571 OG SER A 109 -9.208 0.241 -2.953 1.00 0.00 O ATOM 0 H SER A 109 -11.267 2.470 -3.400 1.00 0.00 H new ATOM 0 HA SER A 109 -11.130 -0.107 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 109 -10.645 1.177 -1.817 1.00 0.00 H new ATOM 0 HB3 SER A 109 -10.753 -0.571 -1.864 1.00 0.00 H new ATOM 0 HG SER A 109 -8.587 0.184 -2.197 1.00 0.00 H new ATOM 1577 N SER A 110 -13.172 -1.365 -3.925 1.00 0.00 N ATOM 1578 CA SER A 110 -14.396 -2.110 -3.654 1.00 0.00 C ATOM 1579 C SER A 110 -14.333 -3.502 -4.276 1.00 0.00 C ATOM 1580 O SER A 110 -13.746 -3.693 -5.340 1.00 0.00 O ATOM 1581 CB SER A 110 -15.609 -1.352 -4.195 1.00 0.00 C ATOM 1582 OG SER A 110 -16.112 -0.441 -3.232 1.00 0.00 O ATOM 0 H SER A 110 -12.605 -1.746 -4.683 1.00 0.00 H new ATOM 0 HA SER A 110 -14.496 -2.218 -2.574 1.00 0.00 H new ATOM 0 HB2 SER A 110 -15.331 -0.812 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.390 -2.060 -4.473 1.00 0.00 H new ATOM 0 HG SER A 110 -15.368 -0.066 -2.717 1.00 0.00 H new ATOM 1588 N GLY A 111 -14.945 -4.472 -3.602 1.00 0.00 N ATOM 1589 CA GLY A 111 -14.947 -5.834 -4.102 1.00 0.00 C ATOM 1590 C GLY A 111 -16.340 -6.323 -4.447 1.00 0.00 C ATOM 1591 O GLY A 111 -16.806 -7.324 -3.903 1.00 0.00 O ATOM 0 H GLY A 111 -15.439 -4.338 -2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -14.315 -5.893 -4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -14.509 -6.493 -3.353 1.00 0.00 H new TER 1595 GLY A 111