USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 571 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 :FLIP amide:sc= -0.136 F(o=-5.4,f=-4.7) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -4.61! C(o=-8!,f=-4.7!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ -146:sc= 0 (180deg=0) USER MOD Set 2.2: A 19 GLN : amide:sc= -0.455 X(o=-0.45,f=-0.26) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 14 GLN : amide:sc= -10.7! C(o=-11!,f=-21!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -2.2! USER MOD Single : A 24 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.3) USER MOD Single : A 25 ASN : amide:sc=-0.00286 X(o=-0.0029,f=0.059) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -55:sc= 1.16 USER MOD Single : A 64 THR OG1 : rot -150:sc= -3.56! USER MOD Single : A 66 GLN : amide:sc= -1.12 K(o=-1.1,f=-5.8!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HE2:sc= -1.72! C(o=-1.7!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.331 -8.318 -10.771 1.00 0.00 N ATOM 27 CA ILE A 3 -2.342 -7.733 -9.881 1.00 0.00 C ATOM 28 C ILE A 3 -2.745 -6.293 -9.555 1.00 0.00 C ATOM 29 O ILE A 3 -3.212 -6.010 -8.453 1.00 0.00 O ATOM 30 CB ILE A 3 -0.941 -7.858 -10.482 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.247 -9.131 -9.994 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.108 -6.606 -10.196 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.569 -8.861 -8.728 1.00 0.00 C ATOM 0 HA ILE A 3 -2.309 -8.277 -8.937 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.040 -7.939 -11.564 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.992 -9.901 -9.793 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.407 -9.516 -10.777 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.883 -6.721 -10.634 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.598 -5.735 -10.631 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.015 -6.469 -9.119 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.052 -9.783 -8.403 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.329 -8.108 -8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.091 -8.500 -7.940 1.00 0.00 H new ATOM 45 N GLU A 4 -2.550 -5.421 -10.533 1.00 0.00 N ATOM 46 CA GLU A 4 -2.887 -4.018 -10.363 1.00 0.00 C ATOM 47 C GLU A 4 -4.307 -3.876 -9.812 1.00 0.00 C ATOM 48 O GLU A 4 -4.526 -3.177 -8.824 1.00 0.00 O ATOM 49 CB GLU A 4 -2.731 -3.254 -11.680 1.00 0.00 C ATOM 50 CG GLU A 4 -3.441 -1.900 -11.615 1.00 0.00 C ATOM 51 CD GLU A 4 -4.690 -1.894 -12.498 1.00 0.00 C ATOM 52 OE1 GLU A 4 -5.724 -2.460 -12.114 1.00 0.00 O ATOM 53 OE2 GLU A 4 -4.561 -1.272 -13.621 1.00 0.00 O ATOM 0 H GLU A 4 -2.163 -5.659 -11.446 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.194 -3.582 -9.643 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.673 -3.104 -11.895 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.142 -3.845 -12.499 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.719 -1.680 -10.584 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.760 -1.112 -11.937 1.00 0.00 H new ATOM 61 N GLU A 5 -5.235 -4.551 -10.474 1.00 0.00 N ATOM 62 CA GLU A 5 -6.628 -4.509 -10.063 1.00 0.00 C ATOM 63 C GLU A 5 -6.730 -4.517 -8.536 1.00 0.00 C ATOM 64 O GLU A 5 -7.315 -3.610 -7.945 1.00 0.00 O ATOM 65 CB GLU A 5 -7.414 -5.672 -10.671 1.00 0.00 C ATOM 66 CG GLU A 5 -8.716 -5.914 -9.904 1.00 0.00 C ATOM 67 CD GLU A 5 -9.816 -6.422 -10.837 1.00 0.00 C ATOM 68 OE1 GLU A 5 -10.976 -5.998 -10.716 1.00 0.00 O ATOM 69 OE2 GLU A 5 -9.432 -7.287 -11.714 1.00 0.00 O ATOM 0 H GLU A 5 -5.049 -5.130 -11.293 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.069 -3.583 -10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.638 -5.458 -11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.805 -6.576 -10.654 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.544 -6.640 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.038 -4.989 -9.426 1.00 0.00 H new ATOM 77 N ARG A 6 -6.153 -5.551 -7.941 1.00 0.00 N ATOM 78 CA ARG A 6 -6.173 -5.689 -6.495 1.00 0.00 C ATOM 79 C ARG A 6 -5.365 -4.564 -5.844 1.00 0.00 C ATOM 80 O ARG A 6 -5.748 -4.047 -4.795 1.00 0.00 O ATOM 81 CB ARG A 6 -5.596 -7.038 -6.063 1.00 0.00 C ATOM 82 CG ARG A 6 -6.612 -8.162 -6.273 1.00 0.00 C ATOM 83 CD ARG A 6 -6.646 -9.104 -5.068 1.00 0.00 C ATOM 84 NE ARG A 6 -7.964 -9.026 -4.401 1.00 0.00 N ATOM 85 CZ ARG A 6 -8.426 -9.945 -3.526 1.00 0.00 C ATOM 86 NH1 ARG A 6 -7.678 -11.022 -3.206 1.00 0.00 N ATOM 87 NH2 ARG A 6 -9.620 -9.775 -2.989 1.00 0.00 N ATOM 0 H ARG A 6 -5.669 -6.301 -8.434 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.212 -5.630 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.691 -7.250 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.308 -6.995 -5.013 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.602 -7.736 -6.434 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.357 -8.724 -7.171 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -6.453 -10.127 -5.390 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.857 -8.837 -4.365 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.562 -8.228 -4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.757 -11.146 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.034 -11.712 -2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -10.179 -8.959 -3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.983 -10.460 -2.326 1.00 0.00 H new ATOM 100 N VAL A 7 -4.262 -4.219 -6.492 1.00 0.00 N ATOM 101 CA VAL A 7 -3.397 -3.165 -5.989 1.00 0.00 C ATOM 102 C VAL A 7 -4.205 -1.874 -5.844 1.00 0.00 C ATOM 103 O VAL A 7 -4.358 -1.354 -4.739 1.00 0.00 O ATOM 104 CB VAL A 7 -2.179 -3.008 -6.902 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.252 -1.903 -6.393 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.426 -4.333 -7.044 1.00 0.00 C ATOM 0 H VAL A 7 -3.947 -4.651 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.016 -3.423 -5.001 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.536 -2.718 -7.890 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.394 -1.812 -7.060 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.793 -0.957 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.907 -2.151 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.565 -4.194 -7.698 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.087 -4.666 -6.063 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.089 -5.084 -7.473 1.00 0.00 H new ATOM 116 N LYS A 8 -4.702 -1.394 -6.974 1.00 0.00 N ATOM 117 CA LYS A 8 -5.491 -0.173 -6.986 1.00 0.00 C ATOM 118 C LYS A 8 -6.538 -0.237 -5.873 1.00 0.00 C ATOM 119 O LYS A 8 -6.714 0.723 -5.125 1.00 0.00 O ATOM 120 CB LYS A 8 -6.083 0.068 -8.376 1.00 0.00 C ATOM 121 CG LYS A 8 -5.411 1.260 -9.060 1.00 0.00 C ATOM 122 CD LYS A 8 -4.742 0.835 -10.368 1.00 0.00 C ATOM 123 CE LYS A 8 -5.110 1.788 -11.507 1.00 0.00 C ATOM 124 NZ LYS A 8 -6.438 1.444 -12.062 1.00 0.00 N ATOM 0 H LYS A 8 -4.574 -1.828 -7.888 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.860 0.691 -6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.958 -0.825 -8.988 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.155 0.249 -8.292 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.152 2.034 -9.261 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.668 1.696 -8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.660 0.818 -10.238 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.048 -0.179 -10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.117 2.815 -11.142 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.356 1.734 -12.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.447 1.636 -13.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.632 0.436 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.169 2.018 -11.595 1.00 0.00 H new ATOM 137 N LYS A 9 -7.208 -1.378 -5.799 1.00 0.00 N ATOM 138 CA LYS A 9 -8.234 -1.580 -4.790 1.00 0.00 C ATOM 139 C LYS A 9 -7.654 -1.266 -3.410 1.00 0.00 C ATOM 140 O LYS A 9 -8.092 -0.326 -2.748 1.00 0.00 O ATOM 141 CB LYS A 9 -8.827 -2.986 -4.903 1.00 0.00 C ATOM 142 CG LYS A 9 -10.353 -2.948 -4.801 1.00 0.00 C ATOM 143 CD LYS A 9 -10.998 -3.042 -6.185 1.00 0.00 C ATOM 144 CE LYS A 9 -12.487 -2.699 -6.120 1.00 0.00 C ATOM 145 NZ LYS A 9 -13.298 -3.797 -6.692 1.00 0.00 N ATOM 0 H LYS A 9 -7.060 -2.172 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.066 -0.895 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.534 -3.433 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.422 -3.620 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.700 -3.772 -4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.665 -2.025 -4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.494 -2.362 -6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.870 -4.049 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.781 -2.523 -5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.678 -1.775 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.306 -3.547 -6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.029 -3.946 -7.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.129 -4.670 -6.153 1.00 0.00 H new ATOM 158 N ILE A 10 -6.678 -2.070 -3.016 1.00 0.00 N ATOM 159 CA ILE A 10 -6.034 -1.890 -1.726 1.00 0.00 C ATOM 160 C ILE A 10 -5.753 -0.402 -1.505 1.00 0.00 C ATOM 161 O ILE A 10 -6.149 0.163 -0.487 1.00 0.00 O ATOM 162 CB ILE A 10 -4.789 -2.772 -1.621 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.169 -4.221 -1.306 1.00 0.00 C ATOM 164 CG2 ILE A 10 -3.799 -2.205 -0.601 1.00 0.00 C ATOM 165 CD1 ILE A 10 -5.062 -4.503 0.194 1.00 0.00 C ATOM 0 H ILE A 10 -6.317 -2.848 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.695 -2.214 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.288 -2.773 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.187 -4.415 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.516 -4.899 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.923 -2.851 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.493 -1.205 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.275 -2.155 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.337 -5.539 0.390 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.038 -4.331 0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.735 -3.840 0.738 1.00 0.00 H new ATOM 177 N ILE A 11 -5.072 0.190 -2.475 1.00 0.00 N ATOM 178 CA ILE A 11 -4.734 1.601 -2.399 1.00 0.00 C ATOM 179 C ILE A 11 -6.015 2.419 -2.224 1.00 0.00 C ATOM 180 O ILE A 11 -6.021 3.425 -1.516 1.00 0.00 O ATOM 181 CB ILE A 11 -3.899 2.018 -3.612 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.445 1.571 -3.456 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.013 3.523 -3.864 1.00 0.00 C ATOM 184 CD1 ILE A 11 -2.153 0.342 -4.320 1.00 0.00 C ATOM 0 H ILE A 11 -4.745 -0.282 -3.318 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.109 1.797 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.298 1.513 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.778 2.385 -3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.242 1.341 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.410 3.793 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.055 3.783 -4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.655 4.066 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.112 0.045 -4.190 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.805 -0.478 -4.018 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.334 0.582 -5.368 1.00 0.00 H new ATOM 196 N GLY A 12 -7.069 1.957 -2.879 1.00 0.00 N ATOM 197 CA GLY A 12 -8.353 2.633 -2.804 1.00 0.00 C ATOM 198 C GLY A 12 -8.983 2.461 -1.421 1.00 0.00 C ATOM 199 O GLY A 12 -10.028 3.044 -1.134 1.00 0.00 O ATOM 0 H GLY A 12 -7.060 1.122 -3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.223 3.694 -3.019 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.023 2.234 -3.565 1.00 0.00 H new ATOM 203 N GLN A 13 -8.322 1.659 -0.600 1.00 0.00 N ATOM 204 CA GLN A 13 -8.804 1.403 0.747 1.00 0.00 C ATOM 205 C GLN A 13 -7.848 2.008 1.777 1.00 0.00 C ATOM 206 O GLN A 13 -8.224 2.219 2.929 1.00 0.00 O ATOM 207 CB GLN A 13 -8.992 -0.096 0.987 1.00 0.00 C ATOM 208 CG GLN A 13 -10.459 -0.427 1.265 1.00 0.00 C ATOM 209 CD GLN A 13 -10.593 -1.337 2.488 1.00 0.00 C ATOM 210 OE1 GLN A 13 -10.188 -2.488 2.485 1.00 0.00 O ATOM 211 NE2 GLN A 13 -11.183 -0.759 3.531 1.00 0.00 N ATOM 0 H GLN A 13 -7.456 1.177 -0.841 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.778 1.880 0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.649 -0.653 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.378 -0.413 1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.019 0.494 1.429 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.897 -0.915 0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.499 0.209 3.467 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.320 -1.284 4.395 1.00 0.00 H new ATOM 220 N GLN A 14 -6.630 2.270 1.325 1.00 0.00 N ATOM 221 CA GLN A 14 -5.618 2.846 2.193 1.00 0.00 C ATOM 222 C GLN A 14 -5.999 4.277 2.576 1.00 0.00 C ATOM 223 O GLN A 14 -5.431 4.847 3.506 1.00 0.00 O ATOM 224 CB GLN A 14 -4.239 2.804 1.530 1.00 0.00 C ATOM 225 CG GLN A 14 -4.080 3.945 0.523 1.00 0.00 C ATOM 226 CD GLN A 14 -3.202 5.061 1.094 1.00 0.00 C ATOM 227 OE1 GLN A 14 -3.669 5.984 1.741 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.908 4.926 0.819 1.00 0.00 N ATOM 0 H GLN A 14 -6.322 2.094 0.369 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.566 2.249 3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.463 2.876 2.292 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.103 1.847 1.026 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.637 3.564 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.060 4.345 0.263 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.583 4.129 0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.240 5.620 1.155 1.00 0.00 H new ATOM 237 N LEU A 15 -6.957 4.818 1.838 1.00 0.00 N ATOM 238 CA LEU A 15 -7.421 6.172 2.089 1.00 0.00 C ATOM 239 C LEU A 15 -8.934 6.236 1.874 1.00 0.00 C ATOM 240 O LEU A 15 -9.655 6.825 2.679 1.00 0.00 O ATOM 241 CB LEU A 15 -6.636 7.173 1.238 1.00 0.00 C ATOM 242 CG LEU A 15 -6.946 7.169 -0.260 1.00 0.00 C ATOM 243 CD1 LEU A 15 -8.032 8.193 -0.598 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.676 7.388 -1.083 1.00 0.00 C ATOM 0 H LEU A 15 -7.425 4.343 1.066 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.234 6.453 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.824 8.175 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.572 6.975 1.369 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.336 6.186 -0.525 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.233 8.170 -1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.944 7.950 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.694 9.189 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.924 7.381 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.233 8.349 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.963 6.591 -0.872 1.00 0.00 H new ATOM 256 N GLY A 16 -9.372 5.622 0.784 1.00 0.00 N ATOM 257 CA GLY A 16 -10.787 5.603 0.454 1.00 0.00 C ATOM 258 C GLY A 16 -11.083 6.508 -0.744 1.00 0.00 C ATOM 259 O GLY A 16 -11.551 7.633 -0.575 1.00 0.00 O ATOM 0 H GLY A 16 -8.772 5.134 0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.098 4.583 0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.369 5.931 1.315 1.00 0.00 H new ATOM 263 N VAL A 17 -10.797 5.983 -1.926 1.00 0.00 N ATOM 264 CA VAL A 17 -11.027 6.730 -3.152 1.00 0.00 C ATOM 265 C VAL A 17 -11.632 5.799 -4.205 1.00 0.00 C ATOM 266 O VAL A 17 -11.881 4.626 -3.932 1.00 0.00 O ATOM 267 CB VAL A 17 -9.726 7.390 -3.614 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.632 8.830 -3.106 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.510 6.572 -3.174 1.00 0.00 C ATOM 0 H VAL A 17 -10.408 5.050 -2.061 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.741 7.535 -2.981 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.733 7.419 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.698 9.276 -3.448 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.473 9.407 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.658 8.834 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.599 7.063 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.496 6.496 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.568 5.573 -3.606 1.00 0.00 H new ATOM 279 N LYS A 18 -11.853 6.358 -5.386 1.00 0.00 N ATOM 280 CA LYS A 18 -12.424 5.594 -6.481 1.00 0.00 C ATOM 281 C LYS A 18 -11.299 5.085 -7.384 1.00 0.00 C ATOM 282 O LYS A 18 -10.221 4.738 -6.903 1.00 0.00 O ATOM 283 CB LYS A 18 -13.479 6.421 -7.219 1.00 0.00 C ATOM 284 CG LYS A 18 -14.629 5.536 -7.703 1.00 0.00 C ATOM 285 CD LYS A 18 -15.969 6.266 -7.588 1.00 0.00 C ATOM 286 CE LYS A 18 -16.871 5.596 -6.550 1.00 0.00 C ATOM 287 NZ LYS A 18 -18.264 6.075 -6.688 1.00 0.00 N ATOM 0 H LYS A 18 -11.646 7.332 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.949 4.718 -6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.866 7.197 -6.558 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.021 6.926 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -14.457 5.245 -8.739 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.659 4.619 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.798 7.306 -7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.467 6.274 -8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.838 4.514 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.504 5.812 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.863 5.610 -5.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.293 7.105 -6.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.617 5.847 -7.639 1.00 0.00 H new ATOM 300 N GLN A 19 -11.587 5.057 -8.677 1.00 0.00 N ATOM 301 CA GLN A 19 -10.613 4.597 -9.652 1.00 0.00 C ATOM 302 C GLN A 19 -9.829 5.783 -10.219 1.00 0.00 C ATOM 303 O GLN A 19 -8.602 5.741 -10.294 1.00 0.00 O ATOM 304 CB GLN A 19 -11.289 3.801 -10.769 1.00 0.00 C ATOM 305 CG GLN A 19 -10.436 2.601 -11.182 1.00 0.00 C ATOM 306 CD GLN A 19 -10.415 1.538 -10.081 1.00 0.00 C ATOM 307 OE1 GLN A 19 -11.439 1.026 -9.658 1.00 0.00 O ATOM 308 NE2 GLN A 19 -9.196 1.238 -9.642 1.00 0.00 N ATOM 0 H GLN A 19 -12.482 5.346 -9.072 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.912 3.930 -9.150 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.268 3.458 -10.434 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.455 4.447 -11.631 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.831 2.169 -12.102 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.419 2.929 -11.395 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.381 1.705 -10.040 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -9.076 0.541 -8.907 1.00 0.00 H new ATOM 317 N GLU A 20 -10.571 6.811 -10.604 1.00 0.00 N ATOM 318 CA GLU A 20 -9.961 8.006 -11.163 1.00 0.00 C ATOM 319 C GLU A 20 -9.076 8.688 -10.118 1.00 0.00 C ATOM 320 O GLU A 20 -8.174 9.449 -10.464 1.00 0.00 O ATOM 321 CB GLU A 20 -11.025 8.969 -11.692 1.00 0.00 C ATOM 322 CG GLU A 20 -11.233 8.783 -13.197 1.00 0.00 C ATOM 323 CD GLU A 20 -12.715 8.596 -13.527 1.00 0.00 C ATOM 324 OE1 GLU A 20 -13.519 9.514 -13.310 1.00 0.00 O ATOM 325 OE2 GLU A 20 -13.022 7.447 -14.027 1.00 0.00 O ATOM 0 H GLU A 20 -11.589 6.841 -10.540 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.335 7.711 -12.005 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.966 8.801 -11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.725 9.997 -11.487 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.844 9.650 -13.731 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.668 7.917 -13.541 1.00 0.00 H new ATOM 333 N GLU A 21 -9.365 8.391 -8.859 1.00 0.00 N ATOM 334 CA GLU A 21 -8.606 8.966 -7.761 1.00 0.00 C ATOM 335 C GLU A 21 -7.357 8.128 -7.483 1.00 0.00 C ATOM 336 O GLU A 21 -6.457 8.567 -6.768 1.00 0.00 O ATOM 337 CB GLU A 21 -9.471 9.095 -6.506 1.00 0.00 C ATOM 338 CG GLU A 21 -10.143 10.468 -6.441 1.00 0.00 C ATOM 339 CD GLU A 21 -11.667 10.333 -6.429 1.00 0.00 C ATOM 340 OE1 GLU A 21 -12.259 10.085 -5.368 1.00 0.00 O ATOM 341 OE2 GLU A 21 -12.238 10.495 -7.574 1.00 0.00 O ATOM 0 H GLU A 21 -10.114 7.760 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.290 9.969 -8.049 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.231 8.314 -6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.856 8.945 -5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.814 10.996 -5.546 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.834 11.069 -7.297 1.00 0.00 H new ATOM 349 N VAL A 22 -7.341 6.937 -8.063 1.00 0.00 N ATOM 350 CA VAL A 22 -6.216 6.034 -7.886 1.00 0.00 C ATOM 351 C VAL A 22 -5.704 5.590 -9.258 1.00 0.00 C ATOM 352 O VAL A 22 -5.334 4.432 -9.442 1.00 0.00 O ATOM 353 CB VAL A 22 -6.623 4.860 -6.992 1.00 0.00 C ATOM 354 CG1 VAL A 22 -5.393 4.110 -6.479 1.00 0.00 C ATOM 355 CG2 VAL A 22 -7.500 5.334 -5.832 1.00 0.00 C ATOM 0 H VAL A 22 -8.089 6.576 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.395 6.542 -7.380 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.210 4.167 -7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.710 3.281 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.823 3.724 -7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.768 4.790 -5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.776 4.481 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.948 6.057 -5.231 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.402 5.803 -6.226 1.00 0.00 H new ATOM 365 N THR A 23 -5.698 6.536 -10.186 1.00 0.00 N ATOM 366 CA THR A 23 -5.236 6.257 -11.535 1.00 0.00 C ATOM 367 C THR A 23 -3.970 5.399 -11.499 1.00 0.00 C ATOM 368 O THR A 23 -3.356 5.237 -10.446 1.00 0.00 O ATOM 369 CB THR A 23 -5.045 7.594 -12.255 1.00 0.00 C ATOM 370 OG1 THR A 23 -4.023 8.248 -11.507 1.00 0.00 O ATOM 371 CG2 THR A 23 -6.258 8.515 -12.113 1.00 0.00 C ATOM 0 H THR A 23 -6.006 7.496 -10.030 1.00 0.00 H new ATOM 0 HA THR A 23 -5.969 5.674 -12.092 1.00 0.00 H new ATOM 0 HB THR A 23 -4.850 7.412 -13.312 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.835 9.123 -11.906 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.070 9.449 -12.642 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.136 8.028 -12.538 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.434 8.725 -11.058 1.00 0.00 H new ATOM 379 N ASN A 24 -3.617 4.873 -12.663 1.00 0.00 N ATOM 380 CA ASN A 24 -2.435 4.036 -12.778 1.00 0.00 C ATOM 381 C ASN A 24 -1.195 4.862 -12.433 1.00 0.00 C ATOM 382 O ASN A 24 -0.285 4.373 -11.765 1.00 0.00 O ATOM 383 CB ASN A 24 -2.270 3.509 -14.205 1.00 0.00 C ATOM 384 CG ASN A 24 -2.571 4.603 -15.232 1.00 0.00 C ATOM 385 OD1 ASN A 24 -1.718 5.392 -15.604 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.827 4.606 -15.667 1.00 0.00 N ATOM 0 H ASN A 24 -4.129 5.010 -13.534 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.549 3.195 -12.094 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.253 3.143 -14.346 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.938 2.663 -14.363 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.127 5.298 -16.354 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.491 3.917 -15.314 1.00 0.00 H new ATOM 393 N ASN A 25 -1.198 6.101 -12.904 1.00 0.00 N ATOM 394 CA ASN A 25 -0.084 7.000 -12.653 1.00 0.00 C ATOM 395 C ASN A 25 -0.521 8.082 -11.664 1.00 0.00 C ATOM 396 O ASN A 25 -0.386 9.273 -11.941 1.00 0.00 O ATOM 397 CB ASN A 25 0.367 7.691 -13.941 1.00 0.00 C ATOM 398 CG ASN A 25 1.876 7.941 -13.930 1.00 0.00 C ATOM 399 OD1 ASN A 25 2.398 8.711 -13.141 1.00 0.00 O ATOM 400 ND2 ASN A 25 2.546 7.249 -14.848 1.00 0.00 N ATOM 0 H ASN A 25 -1.954 6.503 -13.458 1.00 0.00 H new ATOM 0 HA ASN A 25 0.741 6.411 -12.252 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.103 7.074 -14.800 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.161 8.638 -14.054 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.559 7.347 -14.922 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.047 6.621 -15.478 1.00 0.00 H new ATOM 407 N ALA A 26 -1.034 7.629 -10.529 1.00 0.00 N ATOM 408 CA ALA A 26 -1.491 8.544 -9.497 1.00 0.00 C ATOM 409 C ALA A 26 -0.352 8.802 -8.509 1.00 0.00 C ATOM 410 O ALA A 26 0.640 8.074 -8.496 1.00 0.00 O ATOM 411 CB ALA A 26 -2.734 7.967 -8.816 1.00 0.00 C ATOM 0 H ALA A 26 -1.143 6.641 -10.302 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.773 9.503 -9.932 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.077 8.654 -8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.523 7.830 -9.555 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.489 7.005 -8.365 1.00 0.00 H new ATOM 417 N SER A 27 -0.531 9.839 -7.705 1.00 0.00 N ATOM 418 CA SER A 27 0.469 10.202 -6.716 1.00 0.00 C ATOM 419 C SER A 27 -0.172 10.286 -5.329 1.00 0.00 C ATOM 420 O SER A 27 -1.380 10.104 -5.188 1.00 0.00 O ATOM 421 CB SER A 27 1.140 11.530 -7.072 1.00 0.00 C ATOM 422 OG SER A 27 2.416 11.339 -7.676 1.00 0.00 O ATOM 0 H SER A 27 -1.355 10.440 -7.718 1.00 0.00 H new ATOM 0 HA SER A 27 1.237 9.429 -6.708 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.498 12.090 -7.752 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.252 12.132 -6.171 1.00 0.00 H new ATOM 0 HG SER A 27 2.810 12.210 -7.890 1.00 0.00 H new ATOM 428 N PHE A 28 0.666 10.562 -4.341 1.00 0.00 N ATOM 429 CA PHE A 28 0.196 10.673 -2.970 1.00 0.00 C ATOM 430 C PHE A 28 0.404 12.090 -2.432 1.00 0.00 C ATOM 431 O PHE A 28 -0.483 12.652 -1.792 1.00 0.00 O ATOM 432 CB PHE A 28 1.022 9.695 -2.133 1.00 0.00 C ATOM 433 CG PHE A 28 0.718 8.222 -2.416 1.00 0.00 C ATOM 434 CD1 PHE A 28 1.272 7.608 -3.495 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.107 7.527 -1.587 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.989 6.242 -3.757 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.389 6.161 -1.849 1.00 0.00 C ATOM 438 CZ PHE A 28 0.165 5.547 -2.929 1.00 0.00 C ATOM 0 H PHE A 28 1.668 10.712 -4.462 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.870 10.449 -2.923 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.080 9.879 -2.318 1.00 0.00 H new ATOM 0 HB3 PHE A 28 0.843 9.896 -1.077 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.927 8.160 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -0.547 8.015 -0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.429 5.755 -4.615 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.044 5.609 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.050 4.508 -3.129 1.00 0.00 H new ATOM 448 N VAL A 29 1.583 12.627 -2.711 1.00 0.00 N ATOM 449 CA VAL A 29 1.920 13.967 -2.262 1.00 0.00 C ATOM 450 C VAL A 29 1.231 14.991 -3.166 1.00 0.00 C ATOM 451 O VAL A 29 1.072 16.151 -2.789 1.00 0.00 O ATOM 452 CB VAL A 29 3.440 14.137 -2.216 1.00 0.00 C ATOM 453 CG1 VAL A 29 3.822 15.498 -1.631 1.00 0.00 C ATOM 454 CG2 VAL A 29 4.096 12.999 -1.432 1.00 0.00 C ATOM 0 H VAL A 29 2.317 12.158 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 29 1.557 14.132 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 29 3.813 14.096 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.908 15.593 -1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.400 16.291 -2.249 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.430 15.581 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.176 13.144 -1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.714 12.993 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.866 12.047 -1.911 1.00 0.00 H new ATOM 464 N GLU A 30 0.839 14.525 -4.343 1.00 0.00 N ATOM 465 CA GLU A 30 0.170 15.385 -5.304 1.00 0.00 C ATOM 466 C GLU A 30 -1.334 15.106 -5.310 1.00 0.00 C ATOM 467 O GLU A 30 -2.118 15.919 -5.797 1.00 0.00 O ATOM 468 CB GLU A 30 0.765 15.212 -6.702 1.00 0.00 C ATOM 469 CG GLU A 30 1.267 16.548 -7.254 1.00 0.00 C ATOM 470 CD GLU A 30 0.803 16.754 -8.697 1.00 0.00 C ATOM 471 OE1 GLU A 30 -0.183 17.468 -8.935 1.00 0.00 O ATOM 472 OE2 GLU A 30 1.506 16.143 -9.589 1.00 0.00 O ATOM 0 H GLU A 30 0.972 13.562 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 30 0.326 16.421 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.588 14.498 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.012 14.797 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.901 17.364 -6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.356 16.577 -7.211 1.00 0.00 H new ATOM 480 N ASP A 31 -1.692 13.954 -4.762 1.00 0.00 N ATOM 481 CA ASP A 31 -3.089 13.558 -4.698 1.00 0.00 C ATOM 482 C ASP A 31 -3.570 13.635 -3.248 1.00 0.00 C ATOM 483 O ASP A 31 -4.415 14.464 -2.914 1.00 0.00 O ATOM 484 CB ASP A 31 -3.275 12.118 -5.182 1.00 0.00 C ATOM 485 CG ASP A 31 -4.720 11.724 -5.497 1.00 0.00 C ATOM 486 OD1 ASP A 31 -5.115 10.561 -5.330 1.00 0.00 O ATOM 487 OD2 ASP A 31 -5.463 12.682 -5.936 1.00 0.00 O ATOM 0 H ASP A 31 -1.039 13.282 -4.358 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.661 14.231 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.671 11.970 -6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.887 11.441 -4.420 1.00 0.00 H new ATOM 493 N LEU A 32 -3.012 12.759 -2.425 1.00 0.00 N ATOM 494 CA LEU A 32 -3.374 12.718 -1.018 1.00 0.00 C ATOM 495 C LEU A 32 -2.423 13.615 -0.224 1.00 0.00 C ATOM 496 O LEU A 32 -2.254 13.435 0.981 1.00 0.00 O ATOM 497 CB LEU A 32 -3.417 11.273 -0.518 1.00 0.00 C ATOM 498 CG LEU A 32 -4.777 10.577 -0.593 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.520 10.680 0.741 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.609 11.122 -1.755 1.00 0.00 C ATOM 0 H LEU A 32 -2.312 12.072 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.380 13.112 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.700 10.689 -1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.080 11.258 0.519 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.608 9.518 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.484 10.177 0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.928 10.207 1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.678 11.729 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.571 10.610 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.771 12.191 -1.616 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.079 10.954 -2.692 1.00 0.00 H new ATOM 512 N GLY A 33 -1.826 14.563 -0.932 1.00 0.00 N ATOM 513 CA GLY A 33 -0.895 15.489 -0.309 1.00 0.00 C ATOM 514 C GLY A 33 -0.003 14.770 0.705 1.00 0.00 C ATOM 515 O GLY A 33 0.474 15.382 1.660 1.00 0.00 O ATOM 0 H GLY A 33 -1.969 14.710 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.277 15.959 -1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.447 16.286 0.188 1.00 0.00 H new ATOM 519 N ALA A 34 0.194 13.483 0.464 1.00 0.00 N ATOM 520 CA ALA A 34 1.020 12.674 1.345 1.00 0.00 C ATOM 521 C ALA A 34 0.395 12.647 2.741 1.00 0.00 C ATOM 522 O ALA A 34 0.243 13.689 3.377 1.00 0.00 O ATOM 523 CB ALA A 34 2.447 13.227 1.356 1.00 0.00 C ATOM 0 H ALA A 34 -0.204 12.980 -0.329 1.00 0.00 H new ATOM 0 HA ALA A 34 1.071 11.646 0.987 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.067 12.621 2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.856 13.198 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.435 14.257 1.713 1.00 0.00 H new ATOM 529 N ASP A 35 0.049 11.444 3.176 1.00 0.00 N ATOM 530 CA ASP A 35 -0.557 11.268 4.485 1.00 0.00 C ATOM 531 C ASP A 35 0.140 10.116 5.213 1.00 0.00 C ATOM 532 O ASP A 35 0.721 9.237 4.579 1.00 0.00 O ATOM 533 CB ASP A 35 -2.042 10.920 4.362 1.00 0.00 C ATOM 534 CG ASP A 35 -2.973 12.120 4.178 1.00 0.00 C ATOM 535 OD1 ASP A 35 -3.813 12.143 3.266 1.00 0.00 O ATOM 536 OD2 ASP A 35 -2.809 13.073 5.032 1.00 0.00 O ATOM 0 H ASP A 35 0.177 10.582 2.645 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.450 12.203 5.035 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.173 10.244 3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.348 10.375 5.255 1.00 0.00 H new ATOM 542 N SER A 36 0.058 10.158 6.535 1.00 0.00 N ATOM 543 CA SER A 36 0.673 9.129 7.356 1.00 0.00 C ATOM 544 C SER A 36 0.050 7.768 7.042 1.00 0.00 C ATOM 545 O SER A 36 0.750 6.836 6.650 1.00 0.00 O ATOM 546 CB SER A 36 0.525 9.451 8.844 1.00 0.00 C ATOM 547 OG SER A 36 1.707 10.034 9.385 1.00 0.00 O ATOM 0 H SER A 36 -0.425 10.889 7.058 1.00 0.00 H new ATOM 0 HA SER A 36 1.737 9.096 7.124 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.313 10.133 8.985 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.288 8.538 9.391 1.00 0.00 H new ATOM 0 HG SER A 36 1.571 10.226 10.336 1.00 0.00 H new ATOM 553 N LEU A 37 -1.261 7.696 7.227 1.00 0.00 N ATOM 554 CA LEU A 37 -1.986 6.463 6.968 1.00 0.00 C ATOM 555 C LEU A 37 -1.663 5.973 5.555 1.00 0.00 C ATOM 556 O LEU A 37 -1.680 4.772 5.292 1.00 0.00 O ATOM 557 CB LEU A 37 -3.482 6.658 7.225 1.00 0.00 C ATOM 558 CG LEU A 37 -3.860 7.197 8.606 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.338 7.591 8.655 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.498 6.195 9.704 1.00 0.00 C ATOM 0 H LEU A 37 -1.839 8.471 7.553 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.667 5.681 7.657 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.874 7.340 6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.983 5.701 7.081 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.279 8.101 8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.581 7.971 9.647 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.533 8.365 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.955 6.718 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.777 6.603 10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.034 5.261 9.535 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.425 6.006 9.685 1.00 0.00 H new ATOM 572 N ASP A 38 -1.378 6.929 4.683 1.00 0.00 N ATOM 573 CA ASP A 38 -1.052 6.610 3.303 1.00 0.00 C ATOM 574 C ASP A 38 0.328 5.952 3.249 1.00 0.00 C ATOM 575 O ASP A 38 0.476 4.854 2.715 1.00 0.00 O ATOM 576 CB ASP A 38 -1.008 7.873 2.441 1.00 0.00 C ATOM 577 CG ASP A 38 -2.282 8.155 1.642 1.00 0.00 C ATOM 578 OD1 ASP A 38 -3.168 8.896 2.093 1.00 0.00 O ATOM 579 OD2 ASP A 38 -2.346 7.570 0.494 1.00 0.00 O ATOM 0 H ASP A 38 -1.366 7.924 4.905 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.822 5.940 2.921 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.805 8.728 3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.172 7.792 1.746 1.00 0.00 H new ATOM 585 N THR A 39 1.304 6.651 3.809 1.00 0.00 N ATOM 586 CA THR A 39 2.668 6.149 3.831 1.00 0.00 C ATOM 587 C THR A 39 2.793 4.990 4.822 1.00 0.00 C ATOM 588 O THR A 39 3.820 4.314 4.865 1.00 0.00 O ATOM 589 CB THR A 39 3.599 7.322 4.146 1.00 0.00 C ATOM 590 OG1 THR A 39 3.454 8.191 3.026 1.00 0.00 O ATOM 591 CG2 THR A 39 5.075 6.921 4.119 1.00 0.00 C ATOM 0 H THR A 39 1.178 7.561 4.251 1.00 0.00 H new ATOM 0 HA THR A 39 2.955 5.740 2.862 1.00 0.00 H new ATOM 0 HB THR A 39 3.352 7.729 5.127 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.023 8.980 3.148 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.692 7.789 4.349 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.254 6.142 4.860 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.332 6.545 3.129 1.00 0.00 H new ATOM 599 N VAL A 40 1.734 4.797 5.594 1.00 0.00 N ATOM 600 CA VAL A 40 1.713 3.731 6.581 1.00 0.00 C ATOM 601 C VAL A 40 0.962 2.527 6.010 1.00 0.00 C ATOM 602 O VAL A 40 1.400 1.388 6.165 1.00 0.00 O ATOM 603 CB VAL A 40 1.111 4.244 7.891 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.797 3.086 8.841 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.036 5.264 8.558 1.00 0.00 C ATOM 0 H VAL A 40 0.885 5.360 5.556 1.00 0.00 H new ATOM 0 HA VAL A 40 2.727 3.403 6.810 1.00 0.00 H new ATOM 0 HB VAL A 40 0.173 4.747 7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.370 3.478 9.764 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.083 2.412 8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.714 2.542 9.068 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.584 5.612 9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.997 4.797 8.775 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.187 6.111 7.888 1.00 0.00 H new ATOM 615 N GLU A 41 -0.155 2.819 5.361 1.00 0.00 N ATOM 616 CA GLU A 41 -0.970 1.774 4.765 1.00 0.00 C ATOM 617 C GLU A 41 -0.233 1.132 3.588 1.00 0.00 C ATOM 618 O GLU A 41 -0.541 0.007 3.198 1.00 0.00 O ATOM 619 CB GLU A 41 -2.330 2.322 4.328 1.00 0.00 C ATOM 620 CG GLU A 41 -3.247 2.539 5.533 1.00 0.00 C ATOM 621 CD GLU A 41 -4.543 1.738 5.387 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.517 0.602 4.890 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.604 2.335 5.813 1.00 0.00 O ATOM 0 H GLU A 41 -0.515 3.765 5.235 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.149 1.006 5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.193 3.264 3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.799 1.628 3.630 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.731 2.240 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.480 3.599 5.631 1.00 0.00 H new ATOM 631 N LEU A 42 0.725 1.875 3.055 1.00 0.00 N ATOM 632 CA LEU A 42 1.508 1.393 1.930 1.00 0.00 C ATOM 633 C LEU A 42 2.522 0.359 2.426 1.00 0.00 C ATOM 634 O LEU A 42 2.898 -0.550 1.688 1.00 0.00 O ATOM 635 CB LEU A 42 2.143 2.564 1.177 1.00 0.00 C ATOM 636 CG LEU A 42 2.196 2.431 -0.347 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.325 3.494 -1.020 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.640 2.470 -0.850 1.00 0.00 C ATOM 0 H LEU A 42 0.977 2.808 3.381 1.00 0.00 H new ATOM 0 HA LEU A 42 0.866 0.890 1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.591 3.471 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.160 2.699 1.546 1.00 0.00 H new ATOM 0 HG LEU A 42 1.786 1.459 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.380 3.378 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.291 3.377 -0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.682 4.486 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.650 2.374 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.099 3.417 -0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.202 1.647 -0.408 1.00 0.00 H new ATOM 650 N VAL A 43 2.936 0.534 3.672 1.00 0.00 N ATOM 651 CA VAL A 43 3.898 -0.372 4.275 1.00 0.00 C ATOM 652 C VAL A 43 3.159 -1.572 4.871 1.00 0.00 C ATOM 653 O VAL A 43 3.738 -2.646 5.029 1.00 0.00 O ATOM 654 CB VAL A 43 4.748 0.377 5.304 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.877 -0.511 5.832 1.00 0.00 C ATOM 656 CG2 VAL A 43 5.302 1.676 4.716 1.00 0.00 C ATOM 0 H VAL A 43 2.623 1.290 4.281 1.00 0.00 H new ATOM 0 HA VAL A 43 4.586 -0.755 3.521 1.00 0.00 H new ATOM 0 HB VAL A 43 4.105 0.637 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.466 0.045 6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.452 -1.396 6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.518 -0.815 5.004 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.902 2.189 5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.923 1.448 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.476 2.319 4.411 1.00 0.00 H new ATOM 666 N MET A 44 1.891 -1.349 5.185 1.00 0.00 N ATOM 667 CA MET A 44 1.067 -2.399 5.759 1.00 0.00 C ATOM 668 C MET A 44 0.282 -3.136 4.672 1.00 0.00 C ATOM 669 O MET A 44 -0.021 -4.320 4.815 1.00 0.00 O ATOM 670 CB MET A 44 0.092 -1.788 6.768 1.00 0.00 C ATOM 671 CG MET A 44 0.837 -1.241 7.988 1.00 0.00 C ATOM 672 SD MET A 44 0.099 -1.869 9.487 1.00 0.00 S ATOM 673 CE MET A 44 1.500 -2.725 10.187 1.00 0.00 C ATOM 0 H MET A 44 1.414 -0.457 5.053 1.00 0.00 H new ATOM 0 HA MET A 44 1.719 -3.115 6.258 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.474 -0.986 6.293 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.629 -2.542 7.085 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.887 -1.529 7.942 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.804 -0.151 7.986 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.212 -3.180 11.135 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.833 -3.501 9.498 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.312 -2.017 10.356 1.00 0.00 H new ATOM 683 N ALA A 45 -0.025 -2.406 3.611 1.00 0.00 N ATOM 684 CA ALA A 45 -0.769 -2.975 2.500 1.00 0.00 C ATOM 685 C ALA A 45 0.092 -4.030 1.803 1.00 0.00 C ATOM 686 O ALA A 45 -0.374 -5.137 1.532 1.00 0.00 O ATOM 687 CB ALA A 45 -1.205 -1.857 1.550 1.00 0.00 C ATOM 0 H ALA A 45 0.228 -1.425 3.496 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.673 -3.470 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.763 -2.284 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.838 -1.150 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.325 -1.339 1.169 1.00 0.00 H new ATOM 693 N LEU A 46 1.332 -3.651 1.531 1.00 0.00 N ATOM 694 CA LEU A 46 2.262 -4.551 0.871 1.00 0.00 C ATOM 695 C LEU A 46 2.629 -5.689 1.825 1.00 0.00 C ATOM 696 O LEU A 46 2.900 -6.807 1.389 1.00 0.00 O ATOM 697 CB LEU A 46 3.472 -3.778 0.342 1.00 0.00 C ATOM 698 CG LEU A 46 3.177 -2.710 -0.713 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.435 -2.371 -1.516 1.00 0.00 C ATOM 700 CD2 LEU A 46 2.019 -3.138 -1.617 1.00 0.00 C ATOM 0 H LEU A 46 1.714 -2.732 1.756 1.00 0.00 H new ATOM 0 HA LEU A 46 1.796 -5.006 -0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.969 -3.299 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.178 -4.493 -0.081 1.00 0.00 H new ATOM 0 HG LEU A 46 2.866 -1.800 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.198 -1.610 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.206 -1.994 -0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.799 -3.267 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.830 -2.361 -2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.277 -4.068 -2.124 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.124 -3.290 -1.014 1.00 0.00 H new ATOM 712 N GLU A 47 2.624 -5.366 3.110 1.00 0.00 N ATOM 713 CA GLU A 47 2.953 -6.348 4.129 1.00 0.00 C ATOM 714 C GLU A 47 1.834 -7.385 4.248 1.00 0.00 C ATOM 715 O GLU A 47 2.092 -8.587 4.228 1.00 0.00 O ATOM 716 CB GLU A 47 3.220 -5.672 5.476 1.00 0.00 C ATOM 717 CG GLU A 47 4.721 -5.502 5.716 1.00 0.00 C ATOM 718 CD GLU A 47 5.240 -6.548 6.705 1.00 0.00 C ATOM 719 OE1 GLU A 47 4.787 -6.590 7.858 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.147 -7.337 6.237 1.00 0.00 O ATOM 0 H GLU A 47 2.397 -4.438 3.469 1.00 0.00 H new ATOM 0 HA GLU A 47 3.867 -6.861 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.731 -4.698 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.785 -6.268 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.257 -5.593 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.920 -4.502 6.101 1.00 0.00 H new ATOM 728 N GLU A 48 0.615 -6.881 4.371 1.00 0.00 N ATOM 729 CA GLU A 48 -0.545 -7.748 4.493 1.00 0.00 C ATOM 730 C GLU A 48 -0.758 -8.534 3.198 1.00 0.00 C ATOM 731 O GLU A 48 -1.533 -9.489 3.168 1.00 0.00 O ATOM 732 CB GLU A 48 -1.794 -6.945 4.859 1.00 0.00 C ATOM 733 CG GLU A 48 -2.677 -7.721 5.838 1.00 0.00 C ATOM 734 CD GLU A 48 -4.113 -7.824 5.319 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.508 -7.053 4.431 1.00 0.00 O ATOM 736 OE2 GLU A 48 -4.827 -8.746 5.870 1.00 0.00 O ATOM 0 H GLU A 48 0.405 -5.883 4.389 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.361 -8.457 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.502 -5.993 5.303 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.360 -6.715 3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.268 -8.720 5.988 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.672 -7.225 6.809 1.00 0.00 H new ATOM 744 N GLU A 49 -0.057 -8.104 2.159 1.00 0.00 N ATOM 745 CA GLU A 49 -0.160 -8.756 0.865 1.00 0.00 C ATOM 746 C GLU A 49 0.857 -9.894 0.761 1.00 0.00 C ATOM 747 O GLU A 49 0.481 -11.065 0.724 1.00 0.00 O ATOM 748 CB GLU A 49 0.026 -7.749 -0.272 1.00 0.00 C ATOM 749 CG GLU A 49 -1.007 -7.975 -1.378 1.00 0.00 C ATOM 750 CD GLU A 49 -1.965 -6.786 -1.485 1.00 0.00 C ATOM 751 OE1 GLU A 49 -1.532 -5.629 -1.371 1.00 0.00 O ATOM 752 OE2 GLU A 49 -3.199 -7.097 -1.695 1.00 0.00 O ATOM 0 H GLU A 49 0.585 -7.312 2.187 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.160 -9.179 0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.068 -6.735 0.116 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.031 -7.841 -0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.499 -8.124 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.572 -8.884 -1.173 1.00 0.00 H new ATOM 760 N PHE A 50 2.124 -9.511 0.718 1.00 0.00 N ATOM 761 CA PHE A 50 3.198 -10.485 0.619 1.00 0.00 C ATOM 762 C PHE A 50 4.256 -10.246 1.699 1.00 0.00 C ATOM 763 O PHE A 50 5.427 -10.566 1.506 1.00 0.00 O ATOM 764 CB PHE A 50 3.841 -10.304 -0.757 1.00 0.00 C ATOM 765 CG PHE A 50 3.426 -11.361 -1.782 1.00 0.00 C ATOM 766 CD1 PHE A 50 4.058 -12.565 -1.811 1.00 0.00 C ATOM 767 CD2 PHE A 50 2.425 -11.097 -2.664 1.00 0.00 C ATOM 768 CE1 PHE A 50 3.672 -13.546 -2.762 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.039 -12.078 -3.615 1.00 0.00 C ATOM 770 CZ PHE A 50 2.671 -13.282 -3.644 1.00 0.00 C ATOM 0 H PHE A 50 2.432 -8.539 0.750 1.00 0.00 H new ATOM 0 HA PHE A 50 2.801 -11.491 0.753 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.580 -9.318 -1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.925 -10.327 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.853 -12.775 -1.111 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.924 -10.141 -2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.173 -14.502 -2.785 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.244 -11.868 -4.315 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.378 -14.028 -4.367 1.00 0.00 H new ATOM 780 N ASP A 51 3.804 -9.685 2.811 1.00 0.00 N ATOM 781 CA ASP A 51 4.697 -9.400 3.921 1.00 0.00 C ATOM 782 C ASP A 51 6.045 -8.925 3.376 1.00 0.00 C ATOM 783 O ASP A 51 7.090 -9.214 3.958 1.00 0.00 O ATOM 784 CB ASP A 51 4.942 -10.651 4.767 1.00 0.00 C ATOM 785 CG ASP A 51 5.761 -10.422 6.038 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.994 -10.556 6.037 1.00 0.00 O ATOM 787 OD2 ASP A 51 5.073 -10.087 7.077 1.00 0.00 O ATOM 0 H ASP A 51 2.831 -9.420 2.967 1.00 0.00 H new ATOM 0 HA ASP A 51 4.232 -8.633 4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.978 -11.077 5.046 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.453 -11.392 4.153 1.00 0.00 H new ATOM 793 N THR A 52 5.979 -8.205 2.266 1.00 0.00 N ATOM 794 CA THR A 52 7.182 -7.688 1.637 1.00 0.00 C ATOM 795 C THR A 52 7.661 -6.426 2.357 1.00 0.00 C ATOM 796 O THR A 52 8.859 -6.150 2.403 1.00 0.00 O ATOM 797 CB THR A 52 6.881 -7.464 0.154 1.00 0.00 C ATOM 798 OG1 THR A 52 5.500 -7.111 0.130 1.00 0.00 O ATOM 799 CG2 THR A 52 6.949 -8.758 -0.660 1.00 0.00 C ATOM 0 H THR A 52 5.111 -7.967 1.786 1.00 0.00 H new ATOM 0 HA THR A 52 8.005 -8.399 1.713 1.00 0.00 H new ATOM 0 HB THR A 52 7.587 -6.741 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.220 -6.946 -0.795 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.727 -8.542 -1.705 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.949 -9.185 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.219 -9.470 -0.274 1.00 0.00 H new ATOM 807 N GLU A 53 6.701 -5.694 2.902 1.00 0.00 N ATOM 808 CA GLU A 53 7.009 -4.468 3.618 1.00 0.00 C ATOM 809 C GLU A 53 7.814 -3.520 2.725 1.00 0.00 C ATOM 810 O GLU A 53 8.580 -3.966 1.873 1.00 0.00 O ATOM 811 CB GLU A 53 7.759 -4.766 4.918 1.00 0.00 C ATOM 812 CG GLU A 53 9.234 -5.066 4.644 1.00 0.00 C ATOM 813 CD GLU A 53 10.114 -4.593 5.802 1.00 0.00 C ATOM 814 OE1 GLU A 53 10.135 -3.394 6.116 1.00 0.00 O ATOM 815 OE2 GLU A 53 10.792 -5.523 6.386 1.00 0.00 O ATOM 0 H GLU A 53 5.709 -5.927 2.862 1.00 0.00 H new ATOM 0 HA GLU A 53 6.071 -3.979 3.882 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.677 -3.914 5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.299 -5.616 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.369 -6.137 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.544 -4.573 3.722 1.00 0.00 H new ATOM 823 N ILE A 54 7.612 -2.231 2.953 1.00 0.00 N ATOM 824 CA ILE A 54 8.310 -1.217 2.180 1.00 0.00 C ATOM 825 C ILE A 54 8.854 -0.145 3.127 1.00 0.00 C ATOM 826 O ILE A 54 8.128 0.359 3.983 1.00 0.00 O ATOM 827 CB ILE A 54 7.402 -0.662 1.081 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.949 0.657 0.531 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.961 -0.523 1.578 1.00 0.00 C ATOM 830 CD1 ILE A 54 7.874 0.687 -0.997 1.00 0.00 C ATOM 0 H ILE A 54 6.976 -1.865 3.661 1.00 0.00 H new ATOM 0 HA ILE A 54 9.166 -1.653 1.665 1.00 0.00 H new ATOM 0 HB ILE A 54 7.390 -1.374 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.380 1.491 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.983 0.788 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.337 -0.126 0.777 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.585 -1.500 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.934 0.157 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.269 1.635 -1.362 1.00 0.00 H new ATOM 0 HD12 ILE A 54 8.463 -0.133 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.836 0.581 -1.312 1.00 0.00 H new ATOM 842 N PRO A 55 10.160 0.180 2.937 1.00 0.00 N ATOM 843 CA PRO A 55 10.810 1.183 3.764 1.00 0.00 C ATOM 844 C PRO A 55 10.365 2.593 3.367 1.00 0.00 C ATOM 845 O PRO A 55 9.557 2.759 2.456 1.00 0.00 O ATOM 846 CB PRO A 55 12.299 0.952 3.565 1.00 0.00 C ATOM 847 CG PRO A 55 12.428 0.142 2.286 1.00 0.00 C ATOM 848 CD PRO A 55 11.050 -0.395 1.933 1.00 0.00 C ATOM 0 HA PRO A 55 10.544 1.096 4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.834 1.898 3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.728 0.416 4.412 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.814 0.763 1.478 1.00 0.00 H new ATOM 0 HG3 PRO A 55 13.134 -0.678 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.755 -0.099 0.926 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.030 -1.484 1.963 1.00 0.00 H new ATOM 856 N ASP A 56 10.913 3.571 4.072 1.00 0.00 N ATOM 857 CA ASP A 56 10.583 4.961 3.806 1.00 0.00 C ATOM 858 C ASP A 56 11.389 5.450 2.600 1.00 0.00 C ATOM 859 O ASP A 56 11.080 6.492 2.024 1.00 0.00 O ATOM 860 CB ASP A 56 10.935 5.850 5.000 1.00 0.00 C ATOM 861 CG ASP A 56 9.804 6.761 5.483 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.945 6.348 6.276 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.827 7.959 5.004 1.00 0.00 O ATOM 0 H ASP A 56 11.584 3.429 4.827 1.00 0.00 H new ATOM 0 HA ASP A 56 9.512 5.022 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.248 5.214 5.828 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.791 6.469 4.733 1.00 0.00 H new ATOM 869 N GLU A 57 12.406 4.674 2.255 1.00 0.00 N ATOM 870 CA GLU A 57 13.258 5.015 1.128 1.00 0.00 C ATOM 871 C GLU A 57 12.620 4.547 -0.181 1.00 0.00 C ATOM 872 O GLU A 57 12.322 5.358 -1.056 1.00 0.00 O ATOM 873 CB GLU A 57 14.658 4.421 1.300 1.00 0.00 C ATOM 874 CG GLU A 57 15.698 5.238 0.532 1.00 0.00 C ATOM 875 CD GLU A 57 17.097 4.642 0.701 1.00 0.00 C ATOM 876 OE1 GLU A 57 17.251 3.411 0.694 1.00 0.00 O ATOM 877 OE2 GLU A 57 18.045 5.505 0.842 1.00 0.00 O ATOM 0 H GLU A 57 12.659 3.811 2.736 1.00 0.00 H new ATOM 0 HA GLU A 57 13.361 6.099 1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.919 4.396 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.666 3.390 0.945 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.436 5.265 -0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.692 6.268 0.888 1.00 0.00 H new ATOM 885 N GLU A 58 12.429 3.239 -0.274 1.00 0.00 N ATOM 886 CA GLU A 58 11.832 2.653 -1.462 1.00 0.00 C ATOM 887 C GLU A 58 10.424 3.212 -1.679 1.00 0.00 C ATOM 888 O GLU A 58 9.862 3.083 -2.766 1.00 0.00 O ATOM 889 CB GLU A 58 11.806 1.126 -1.367 1.00 0.00 C ATOM 890 CG GLU A 58 12.867 0.502 -2.276 1.00 0.00 C ATOM 891 CD GLU A 58 13.288 -0.877 -1.762 1.00 0.00 C ATOM 892 OE1 GLU A 58 12.599 -1.457 -0.910 1.00 0.00 O ATOM 893 OE2 GLU A 58 14.372 -1.344 -2.281 1.00 0.00 O ATOM 0 H GLU A 58 12.677 2.569 0.454 1.00 0.00 H new ATOM 0 HA GLU A 58 12.445 2.920 -2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.980 0.819 -0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.819 0.757 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.476 0.412 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.737 1.156 -2.327 1.00 0.00 H new ATOM 901 N ALA A 59 9.895 3.821 -0.628 1.00 0.00 N ATOM 902 CA ALA A 59 8.564 4.400 -0.691 1.00 0.00 C ATOM 903 C ALA A 59 8.555 5.538 -1.713 1.00 0.00 C ATOM 904 O ALA A 59 7.615 5.667 -2.495 1.00 0.00 O ATOM 905 CB ALA A 59 8.144 4.866 0.705 1.00 0.00 C ATOM 0 H ALA A 59 10.364 3.926 0.272 1.00 0.00 H new ATOM 0 HA ALA A 59 7.837 3.657 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.145 5.301 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.138 4.015 1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.849 5.615 1.066 1.00 0.00 H new ATOM 911 N GLU A 60 9.613 6.335 -1.672 1.00 0.00 N ATOM 912 CA GLU A 60 9.739 7.459 -2.585 1.00 0.00 C ATOM 913 C GLU A 60 9.655 6.976 -4.035 1.00 0.00 C ATOM 914 O GLU A 60 8.957 7.574 -4.852 1.00 0.00 O ATOM 915 CB GLU A 60 11.039 8.224 -2.336 1.00 0.00 C ATOM 916 CG GLU A 60 10.757 9.690 -1.999 1.00 0.00 C ATOM 917 CD GLU A 60 12.026 10.396 -1.519 1.00 0.00 C ATOM 918 OE1 GLU A 60 12.299 10.428 -0.309 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.742 10.925 -2.452 1.00 0.00 O ATOM 0 H GLU A 60 10.391 6.225 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 60 8.912 8.145 -2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.588 7.758 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.674 8.166 -3.220 1.00 0.00 H new ATOM 0 HG2 GLU A 60 10.363 10.200 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.990 9.748 -1.227 1.00 0.00 H new ATOM 927 N LYS A 61 10.377 5.900 -4.309 1.00 0.00 N ATOM 928 CA LYS A 61 10.393 5.330 -5.646 1.00 0.00 C ATOM 929 C LYS A 61 9.081 4.583 -5.893 1.00 0.00 C ATOM 930 O LYS A 61 8.862 4.049 -6.980 1.00 0.00 O ATOM 931 CB LYS A 61 11.640 4.466 -5.845 1.00 0.00 C ATOM 932 CG LYS A 61 11.312 2.982 -5.669 1.00 0.00 C ATOM 933 CD LYS A 61 12.538 2.112 -5.953 1.00 0.00 C ATOM 934 CE LYS A 61 12.270 1.147 -7.110 1.00 0.00 C ATOM 935 NZ LYS A 61 13.544 0.656 -7.681 1.00 0.00 N ATOM 0 H LYS A 61 10.955 5.407 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 61 10.457 6.119 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.050 4.636 -6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.408 4.760 -5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.961 2.802 -4.653 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.500 2.703 -6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.391 2.747 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.803 1.548 -5.059 1.00 0.00 H new ATOM 0 HE2 LYS A 61 11.674 0.305 -6.758 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.688 1.649 -7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.344 0.002 -8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.099 1.461 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.085 0.159 -6.945 1.00 0.00 H new ATOM 948 N ILE A 62 8.242 4.570 -4.868 1.00 0.00 N ATOM 949 CA ILE A 62 6.958 3.897 -4.961 1.00 0.00 C ATOM 950 C ILE A 62 5.858 4.837 -4.463 1.00 0.00 C ATOM 951 O ILE A 62 4.863 4.388 -3.895 1.00 0.00 O ATOM 952 CB ILE A 62 7.001 2.556 -4.225 1.00 0.00 C ATOM 953 CG1 ILE A 62 8.126 1.671 -4.765 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.642 1.856 -4.282 1.00 0.00 C ATOM 955 CD1 ILE A 62 8.457 0.545 -3.783 1.00 0.00 C ATOM 0 H ILE A 62 8.426 5.015 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 62 6.728 3.657 -5.999 1.00 0.00 H new ATOM 0 HB ILE A 62 7.219 2.749 -3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.831 1.246 -5.725 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.015 2.276 -4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.700 0.905 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.887 2.488 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.369 1.675 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.260 -0.069 -4.191 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.775 0.973 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.572 -0.072 -3.625 1.00 0.00 H new ATOM 967 N THR A 63 6.074 6.123 -4.693 1.00 0.00 N ATOM 968 CA THR A 63 5.113 7.130 -4.275 1.00 0.00 C ATOM 969 C THR A 63 4.047 7.331 -5.354 1.00 0.00 C ATOM 970 O THR A 63 3.566 8.445 -5.557 1.00 0.00 O ATOM 971 CB THR A 63 5.884 8.408 -3.937 1.00 0.00 C ATOM 972 OG1 THR A 63 4.874 9.321 -3.514 1.00 0.00 O ATOM 973 CG2 THR A 63 6.490 9.071 -5.176 1.00 0.00 C ATOM 0 H THR A 63 6.901 6.492 -5.164 1.00 0.00 H new ATOM 0 HA THR A 63 4.572 6.814 -3.383 1.00 0.00 H new ATOM 0 HB THR A 63 6.676 8.177 -3.225 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.193 9.402 -4.214 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.026 9.973 -4.881 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.181 8.379 -5.657 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.695 9.333 -5.874 1.00 0.00 H new ATOM 981 N THR A 64 3.709 6.235 -6.017 1.00 0.00 N ATOM 982 CA THR A 64 2.709 6.277 -7.070 1.00 0.00 C ATOM 983 C THR A 64 1.828 5.026 -7.019 1.00 0.00 C ATOM 984 O THR A 64 1.939 4.222 -6.096 1.00 0.00 O ATOM 985 CB THR A 64 3.435 6.454 -8.405 1.00 0.00 C ATOM 986 OG1 THR A 64 4.618 5.673 -8.264 1.00 0.00 O ATOM 987 CG2 THR A 64 3.952 7.880 -8.605 1.00 0.00 C ATOM 0 H THR A 64 4.110 5.313 -5.845 1.00 0.00 H new ATOM 0 HA THR A 64 2.031 7.120 -6.938 1.00 0.00 H new ATOM 0 HB THR A 64 2.761 6.194 -9.221 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.336 6.066 -8.803 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.459 7.952 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.114 8.577 -8.583 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.652 8.129 -7.807 1.00 0.00 H new ATOM 995 N VAL A 65 0.973 4.902 -8.024 1.00 0.00 N ATOM 996 CA VAL A 65 0.074 3.764 -8.105 1.00 0.00 C ATOM 997 C VAL A 65 0.749 2.642 -8.897 1.00 0.00 C ATOM 998 O VAL A 65 1.063 1.589 -8.344 1.00 0.00 O ATOM 999 CB VAL A 65 -1.265 4.196 -8.705 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.129 2.982 -9.050 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.007 5.147 -7.763 1.00 0.00 C ATOM 0 H VAL A 65 0.884 5.571 -8.789 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.141 3.376 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.059 4.734 -9.630 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.075 3.318 -9.475 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.607 2.358 -9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.322 2.404 -8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.956 5.439 -8.214 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.195 4.645 -6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.399 6.035 -7.590 1.00 0.00 H new ATOM 1011 N GLN A 66 0.953 2.906 -10.179 1.00 0.00 N ATOM 1012 CA GLN A 66 1.585 1.932 -11.052 1.00 0.00 C ATOM 1013 C GLN A 66 2.878 1.412 -10.420 1.00 0.00 C ATOM 1014 O GLN A 66 3.292 0.284 -10.682 1.00 0.00 O ATOM 1015 CB GLN A 66 1.853 2.527 -12.436 1.00 0.00 C ATOM 1016 CG GLN A 66 2.451 1.481 -13.377 1.00 0.00 C ATOM 1017 CD GLN A 66 1.415 1.004 -14.397 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.317 1.527 -14.496 1.00 0.00 O ATOM 1019 NE2 GLN A 66 1.824 -0.015 -15.148 1.00 0.00 N ATOM 0 H GLN A 66 0.692 3.781 -10.634 1.00 0.00 H new ATOM 0 HA GLN A 66 0.902 1.092 -11.180 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.924 2.911 -12.857 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.535 3.372 -12.346 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.311 1.904 -13.897 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.815 0.632 -12.798 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.756 -0.406 -15.013 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.205 -0.405 -15.859 1.00 0.00 H new ATOM 1028 N ALA A 67 3.480 2.260 -9.599 1.00 0.00 N ATOM 1029 CA ALA A 67 4.717 1.901 -8.927 1.00 0.00 C ATOM 1030 C ALA A 67 4.438 0.790 -7.913 1.00 0.00 C ATOM 1031 O ALA A 67 5.301 -0.045 -7.648 1.00 0.00 O ATOM 1032 CB ALA A 67 5.325 3.145 -8.276 1.00 0.00 C ATOM 0 H ALA A 67 3.134 3.195 -9.384 1.00 0.00 H new ATOM 0 HA ALA A 67 5.445 1.519 -9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.253 2.875 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.532 3.892 -9.042 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.624 3.555 -7.549 1.00 0.00 H new ATOM 1038 N ALA A 68 3.228 0.816 -7.373 1.00 0.00 N ATOM 1039 CA ALA A 68 2.824 -0.179 -6.394 1.00 0.00 C ATOM 1040 C ALA A 68 2.292 -1.416 -7.120 1.00 0.00 C ATOM 1041 O ALA A 68 1.817 -2.356 -6.485 1.00 0.00 O ATOM 1042 CB ALA A 68 1.790 0.430 -5.445 1.00 0.00 C ATOM 0 H ALA A 68 2.515 1.510 -7.595 1.00 0.00 H new ATOM 0 HA ALA A 68 3.676 -0.492 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.487 -0.316 -4.710 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.227 1.287 -4.933 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.919 0.753 -6.015 1.00 0.00 H new ATOM 1048 N ILE A 69 2.389 -1.376 -8.441 1.00 0.00 N ATOM 1049 CA ILE A 69 1.923 -2.482 -9.259 1.00 0.00 C ATOM 1050 C ILE A 69 3.125 -3.168 -9.913 1.00 0.00 C ATOM 1051 O ILE A 69 3.082 -4.364 -10.196 1.00 0.00 O ATOM 1052 CB ILE A 69 0.870 -2.001 -10.260 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.495 -1.847 -9.588 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.809 -2.926 -11.477 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.629 -0.473 -8.928 1.00 0.00 C ATOM 0 H ILE A 69 2.784 -0.595 -8.965 1.00 0.00 H new ATOM 0 HA ILE A 69 1.425 -3.230 -8.642 1.00 0.00 H new ATOM 0 HB ILE A 69 1.165 -1.015 -10.619 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.285 -1.978 -10.327 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.626 -2.628 -8.839 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.053 -2.562 -12.173 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.780 -2.941 -11.971 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.550 -3.935 -11.155 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.609 -0.389 -8.457 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.148 -0.355 -8.172 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.522 0.305 -9.683 1.00 0.00 H new ATOM 1067 N ASP A 70 4.168 -2.382 -10.132 1.00 0.00 N ATOM 1068 CA ASP A 70 5.379 -2.899 -10.746 1.00 0.00 C ATOM 1069 C ASP A 70 6.155 -3.724 -9.718 1.00 0.00 C ATOM 1070 O ASP A 70 6.773 -4.730 -10.062 1.00 0.00 O ATOM 1071 CB ASP A 70 6.285 -1.761 -11.221 1.00 0.00 C ATOM 1072 CG ASP A 70 6.656 -1.806 -12.704 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.291 -2.746 -13.426 1.00 0.00 O ATOM 1074 OD2 ASP A 70 7.359 -0.808 -13.121 1.00 0.00 O ATOM 0 H ASP A 70 4.200 -1.390 -9.895 1.00 0.00 H new ATOM 0 HA ASP A 70 5.089 -3.510 -11.601 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.790 -0.812 -11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.202 -1.777 -10.632 1.00 0.00 H new ATOM 1080 N TYR A 71 6.098 -3.267 -8.475 1.00 0.00 N ATOM 1081 CA TYR A 71 6.788 -3.950 -7.394 1.00 0.00 C ATOM 1082 C TYR A 71 6.040 -5.220 -6.983 1.00 0.00 C ATOM 1083 O TYR A 71 6.660 -6.227 -6.642 1.00 0.00 O ATOM 1084 CB TYR A 71 6.798 -2.974 -6.217 1.00 0.00 C ATOM 1085 CG TYR A 71 8.074 -3.027 -5.375 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.250 -2.499 -5.869 1.00 0.00 C ATOM 1087 CD2 TYR A 71 8.050 -3.603 -4.121 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.451 -2.550 -5.076 1.00 0.00 C ATOM 1089 CE2 TYR A 71 9.251 -3.654 -3.328 1.00 0.00 C ATOM 1090 CZ TYR A 71 10.392 -3.124 -3.845 1.00 0.00 C ATOM 1091 OH TYR A 71 11.527 -3.172 -3.096 1.00 0.00 O ATOM 0 H TYR A 71 5.585 -2.432 -8.193 1.00 0.00 H new ATOM 0 HA TYR A 71 7.792 -4.242 -7.703 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.668 -1.961 -6.597 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.943 -3.186 -5.575 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.269 -2.048 -6.850 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.130 -4.016 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 71 11.378 -2.141 -5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.246 -4.103 -2.346 1.00 0.00 H new ATOM 0 HH TYR A 71 11.336 -3.609 -2.240 1.00 0.00 H new ATOM 1101 N ILE A 72 4.719 -5.131 -7.027 1.00 0.00 N ATOM 1102 CA ILE A 72 3.881 -6.260 -6.662 1.00 0.00 C ATOM 1103 C ILE A 72 3.902 -7.291 -7.793 1.00 0.00 C ATOM 1104 O ILE A 72 3.841 -8.494 -7.542 1.00 0.00 O ATOM 1105 CB ILE A 72 2.475 -5.785 -6.290 1.00 0.00 C ATOM 1106 CG1 ILE A 72 2.510 -4.885 -5.053 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.525 -6.971 -6.109 1.00 0.00 C ATOM 1108 CD1 ILE A 72 2.882 -5.686 -3.803 1.00 0.00 C ATOM 0 H ILE A 72 4.208 -4.294 -7.310 1.00 0.00 H new ATOM 0 HA ILE A 72 4.272 -6.753 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 72 2.088 -5.186 -7.114 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.232 -4.082 -5.203 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.536 -4.416 -4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.533 -6.605 -5.845 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.468 -7.537 -7.039 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.897 -7.617 -5.314 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.900 -5.023 -2.938 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.145 -6.473 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.867 -6.134 -3.937 1.00 0.00 H new ATOM 1120 N ASN A 73 3.988 -6.783 -9.013 1.00 0.00 N ATOM 1121 CA ASN A 73 4.018 -7.644 -10.182 1.00 0.00 C ATOM 1122 C ASN A 73 5.067 -8.739 -9.977 1.00 0.00 C ATOM 1123 O ASN A 73 4.945 -9.832 -10.529 1.00 0.00 O ATOM 1124 CB ASN A 73 4.396 -6.856 -11.438 1.00 0.00 C ATOM 1125 CG ASN A 73 3.450 -7.181 -12.595 1.00 0.00 C ATOM 1126 OD1 ASN A 73 2.327 -6.468 -12.593 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 3.721 -8.024 -13.435 1.00 0.00 N flip ATOM 0 H ASN A 73 4.038 -5.785 -9.217 1.00 0.00 H new ATOM 0 HA ASN A 73 3.024 -8.072 -10.311 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.362 -5.788 -11.225 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.421 -7.092 -11.725 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.601 -8.536 -13.378 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.067 -8.216 -14.194 1.00 0.00 H new ATOM 1134 N GLY A 74 6.074 -8.408 -9.182 1.00 0.00 N ATOM 1135 CA GLY A 74 7.143 -9.349 -8.897 1.00 0.00 C ATOM 1136 C GLY A 74 6.584 -10.666 -8.355 1.00 0.00 C ATOM 1137 O GLY A 74 7.272 -11.686 -8.362 1.00 0.00 O ATOM 0 H GLY A 74 6.172 -7.501 -8.726 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.716 -9.539 -9.804 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.830 -8.915 -8.171 1.00 0.00 H new ATOM 1141 N HIS A 75 5.342 -10.602 -7.898 1.00 0.00 N ATOM 1142 CA HIS A 75 4.683 -11.777 -7.353 1.00 0.00 C ATOM 1143 C HIS A 75 4.603 -12.864 -8.426 1.00 0.00 C ATOM 1144 O HIS A 75 4.748 -14.048 -8.127 1.00 0.00 O ATOM 1145 CB HIS A 75 3.314 -11.413 -6.775 1.00 0.00 C ATOM 1146 CG HIS A 75 2.280 -12.505 -6.910 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.599 -13.850 -6.853 1.00 0.00 N ATOM 1148 CD2 HIS A 75 0.931 -12.436 -7.100 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.485 -14.551 -7.003 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.452 -13.673 -7.157 1.00 0.00 N ATOM 0 H HIS A 75 4.774 -9.754 -7.894 1.00 0.00 H new ATOM 0 HA HIS A 75 5.268 -12.175 -6.524 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.431 -11.166 -5.720 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.947 -10.516 -7.274 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.533 -14.236 -6.718 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.351 -11.529 -7.189 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.408 -15.628 -7.003 1.00 0.00 H new ATOM 1158 N GLN A 76 4.373 -12.423 -9.654 1.00 0.00 N ATOM 1159 CA GLN A 76 4.272 -13.344 -10.774 1.00 0.00 C ATOM 1160 C GLN A 76 4.950 -12.752 -12.011 1.00 0.00 C ATOM 1161 O GLN A 76 4.278 -12.243 -12.907 1.00 0.00 O ATOM 1162 CB GLN A 76 2.812 -13.696 -11.064 1.00 0.00 C ATOM 1163 CG GLN A 76 1.891 -12.513 -10.758 1.00 0.00 C ATOM 1164 CD GLN A 76 2.083 -11.390 -11.780 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.574 -10.267 -11.264 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 1.803 -11.534 -12.958 1.00 0.00 N flip ATOM 0 H GLN A 76 4.254 -11.440 -9.898 1.00 0.00 H new ATOM 0 HA GLN A 76 4.788 -14.267 -10.508 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.705 -13.984 -12.110 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.516 -14.557 -10.464 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.853 -12.844 -10.767 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.097 -12.137 -9.756 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.429 -12.424 -13.288 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.942 -10.765 -13.613 1.00 0.00 H new