USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 814 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 41 LYS NZ :NH3+ 161:sc= -0.263! (180deg=-0.614) USER MOD Set 1.2: A 43 THR OG1 : rot -101:sc= -0.351! USER MOD Single : A 1 ARG N :NH3+ 149:sc= -0.762 (180deg=-2.83!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 32:sc= 0.852 USER MOD Single : A 7 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.283) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.4) USER MOD Single : A 13 HIS : no HE2:sc= -2.05 X(o=-2,f=-2.3!) USER MOD Single : A 14 ASN : amide:sc= -1.6! C(o=-1.6!,f=-6.5!) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 58:sc= 0.321 USER MOD Single : A 20 GLN : amide:sc= -0.0914 K(o=-0.091,f=-2!) USER MOD Single : A 22 THR OG1 : rot -56:sc= 1.2 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc=-0.00683 X(o=-0.0068,f=-0.095) USER MOD Single : A 31 ASN : amide:sc= -4.95! C(o=-4.9!,f=-9.2!) USER MOD Single : A 36 THR OG1 : rot 173:sc= -1 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.205 K(o=-0.21,f=-1.9) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.087) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.22 K(o=-1.2,f=-1.9) USER MOD Single : A 66 HIS : no HD1:sc= -0.148 X(o=-0.15,f=-0.31) USER MOD Single : A 67 GLN : amide:sc= -0.268 K(o=-0.27,f=-3!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc=-0.00982 K(o=-0.0098,f=-0.94) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -1.16 F(o=-3!,f=-1.2) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 45:sc= -0.339 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -24:sc= 0.235 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 37.405 -45.523 9.049 1.00 0.00 N ATOM 2 CA ARG A 1 36.229 -44.677 8.942 1.00 0.00 C ATOM 3 C ARG A 1 35.641 -44.762 7.532 1.00 0.00 C ATOM 4 O ARG A 1 36.311 -45.205 6.601 1.00 0.00 O ATOM 5 CB ARG A 1 36.569 -43.219 9.258 1.00 0.00 C ATOM 6 CG ARG A 1 37.559 -42.653 8.238 1.00 0.00 C ATOM 7 CD ARG A 1 39.002 -42.952 8.650 1.00 0.00 C ATOM 8 NE ARG A 1 39.590 -43.960 7.740 1.00 0.00 N ATOM 9 CZ ARG A 1 40.764 -44.588 7.963 1.00 0.00 C ATOM 10 NH1 ARG A 1 41.487 -44.316 9.071 1.00 0.00 N ATOM 11 NH2 ARG A 1 41.195 -45.471 7.082 1.00 0.00 N ATOM 0 H1 ARG A 1 38.070 -45.108 9.733 1.00 0.00 H new ATOM 0 H2 ARG A 1 37.123 -46.471 9.372 1.00 0.00 H new ATOM 0 H3 ARG A 1 37.865 -45.597 8.119 1.00 0.00 H new ATOM 0 HA ARG A 1 35.497 -45.033 9.667 1.00 0.00 H new ATOM 0 HB2 ARG A 1 35.658 -42.621 9.256 1.00 0.00 H new ATOM 0 HB3 ARG A 1 36.994 -43.150 10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 1 37.361 -43.083 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 1 37.418 -41.576 8.148 1.00 0.00 H new ATOM 0 HD2 ARG A 1 39.594 -42.037 8.623 1.00 0.00 H new ATOM 0 HD3 ARG A 1 39.027 -43.318 9.676 1.00 0.00 H new ATOM 0 HE ARG A 1 39.076 -44.195 6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 1 41.147 -43.632 9.747 1.00 0.00 H new ATOM 0 HH12 ARG A 1 42.373 -44.795 9.232 1.00 0.00 H new ATOM 0 HH21 ARG A 1 40.643 -45.670 6.248 1.00 0.00 H new ATOM 0 HH22 ARG A 1 42.080 -45.954 7.235 1.00 0.00 H new ATOM 24 N LYS A 2 34.393 -44.330 7.419 1.00 0.00 N ATOM 25 CA LYS A 2 33.707 -44.353 6.138 1.00 0.00 C ATOM 26 C LYS A 2 34.395 -43.380 5.179 1.00 0.00 C ATOM 27 O LYS A 2 34.349 -42.167 5.380 1.00 0.00 O ATOM 28 CB LYS A 2 32.213 -44.078 6.326 1.00 0.00 C ATOM 29 CG LYS A 2 31.970 -42.619 6.720 1.00 0.00 C ATOM 30 CD LYS A 2 31.416 -41.818 5.540 1.00 0.00 C ATOM 31 CE LYS A 2 31.271 -40.338 5.903 1.00 0.00 C ATOM 32 NZ LYS A 2 30.835 -39.556 4.724 1.00 0.00 N ATOM 0 H LYS A 2 33.840 -43.962 8.193 1.00 0.00 H new ATOM 0 HA LYS A 2 33.772 -45.344 5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 2 31.679 -44.303 5.403 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.812 -44.738 7.095 1.00 0.00 H new ATOM 0 HG2 LYS A 2 31.270 -42.576 7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 2 32.903 -42.171 7.063 1.00 0.00 H new ATOM 0 HD2 LYS A 2 32.079 -41.922 4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 2 30.447 -42.221 5.245 1.00 0.00 H new ATOM 0 HE2 LYS A 2 30.547 -40.225 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 2 32.222 -39.953 6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 30.741 -38.554 4.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 31.540 -39.650 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 29.917 -39.913 4.390 1.00 0.00 H new ATOM 45 N LEU A 3 35.017 -43.949 4.156 1.00 0.00 N ATOM 46 CA LEU A 3 35.715 -43.147 3.165 1.00 0.00 C ATOM 47 C LEU A 3 36.946 -42.506 3.808 1.00 0.00 C ATOM 48 O LEU A 3 36.887 -42.047 4.948 1.00 0.00 O ATOM 49 CB LEU A 3 34.760 -42.138 2.524 1.00 0.00 C ATOM 50 CG LEU A 3 34.688 -42.159 0.996 1.00 0.00 C ATOM 51 CD1 LEU A 3 33.449 -41.414 0.495 1.00 0.00 C ATOM 52 CD2 LEU A 3 35.976 -41.609 0.379 1.00 0.00 C ATOM 0 H LEU A 3 35.052 -44.955 3.992 1.00 0.00 H new ATOM 0 HA LEU A 3 36.073 -43.776 2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.759 -42.315 2.917 1.00 0.00 H new ATOM 0 HB3 LEU A 3 35.055 -41.137 2.840 1.00 0.00 H new ATOM 0 HG LEU A 3 34.593 -43.196 0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 3 33.422 -41.444 -0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 3 32.553 -41.889 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 3 33.488 -40.377 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 3 35.899 -41.635 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 3 36.127 -40.581 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 3 36.821 -42.219 0.697 1.00 0.00 H new ATOM 64 N GLU A 4 38.032 -42.495 3.050 1.00 0.00 N ATOM 65 CA GLU A 4 39.276 -41.918 3.532 1.00 0.00 C ATOM 66 C GLU A 4 39.200 -40.391 3.499 1.00 0.00 C ATOM 67 O GLU A 4 38.425 -39.820 2.732 1.00 0.00 O ATOM 68 CB GLU A 4 40.467 -42.425 2.717 1.00 0.00 C ATOM 69 CG GLU A 4 41.640 -42.790 3.630 1.00 0.00 C ATOM 70 CD GLU A 4 42.977 -42.454 2.965 1.00 0.00 C ATOM 71 OE1 GLU A 4 43.265 -42.950 1.866 1.00 0.00 O ATOM 72 OE2 GLU A 4 43.729 -41.645 3.631 1.00 0.00 O ATOM 0 H GLU A 4 38.077 -42.876 2.105 1.00 0.00 H new ATOM 0 HA GLU A 4 39.424 -42.233 4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 4 40.169 -43.297 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 4 40.779 -41.659 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 4 41.553 -42.251 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 4 41.604 -43.853 3.867 1.00 0.00 H new ATOM 80 N LEU A 5 40.014 -39.771 4.341 1.00 0.00 N ATOM 81 CA LEU A 5 40.049 -38.321 4.418 1.00 0.00 C ATOM 82 C LEU A 5 40.130 -37.741 3.005 1.00 0.00 C ATOM 83 O LEU A 5 40.956 -38.170 2.200 1.00 0.00 O ATOM 84 CB LEU A 5 41.181 -37.860 5.338 1.00 0.00 C ATOM 85 CG LEU A 5 40.876 -36.651 6.224 1.00 0.00 C ATOM 86 CD1 LEU A 5 40.880 -37.041 7.704 1.00 0.00 C ATOM 87 CD2 LEU A 5 41.839 -35.499 5.932 1.00 0.00 C ATOM 0 H LEU A 5 40.655 -40.247 4.976 1.00 0.00 H new ATOM 0 HA LEU A 5 39.131 -37.942 4.866 1.00 0.00 H new ATOM 0 HB2 LEU A 5 41.463 -38.694 5.981 1.00 0.00 H new ATOM 0 HB3 LEU A 5 42.049 -37.624 4.723 1.00 0.00 H new ATOM 0 HG LEU A 5 39.872 -36.298 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 5 40.661 -36.163 8.312 1.00 0.00 H new ATOM 0 HD12 LEU A 5 40.122 -37.804 7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 5 41.860 -37.434 7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 5 41.600 -34.653 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 5 42.862 -35.823 6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 5 41.743 -35.200 4.888 1.00 0.00 H new ATOM 99 N THR A 6 39.261 -36.775 2.745 1.00 0.00 N ATOM 100 CA THR A 6 39.224 -36.132 1.443 1.00 0.00 C ATOM 101 C THR A 6 40.639 -35.771 0.985 1.00 0.00 C ATOM 102 O THR A 6 41.327 -34.989 1.640 1.00 0.00 O ATOM 103 CB THR A 6 38.290 -34.923 1.538 1.00 0.00 C ATOM 104 OG1 THR A 6 38.923 -34.070 2.488 1.00 0.00 O ATOM 105 CG2 THR A 6 36.948 -35.270 2.186 1.00 0.00 C ATOM 0 H THR A 6 38.577 -36.422 3.414 1.00 0.00 H new ATOM 0 HA THR A 6 38.831 -36.806 0.681 1.00 0.00 H new ATOM 0 HB THR A 6 38.118 -34.518 0.541 1.00 0.00 H new ATOM 0 HG1 THR A 6 39.895 -34.179 2.429 1.00 0.00 H new ATOM 0 HG21 THR A 6 36.323 -34.378 2.229 1.00 0.00 H new ATOM 0 HG22 THR A 6 36.446 -36.036 1.595 1.00 0.00 H new ATOM 0 HG23 THR A 6 37.117 -35.643 3.196 1.00 0.00 H new ATOM 113 N LYS A 7 41.032 -36.359 -0.135 1.00 0.00 N ATOM 114 CA LYS A 7 42.352 -36.110 -0.688 1.00 0.00 C ATOM 115 C LYS A 7 42.470 -34.634 -1.070 1.00 0.00 C ATOM 116 O LYS A 7 41.776 -34.165 -1.971 1.00 0.00 O ATOM 117 CB LYS A 7 42.639 -37.070 -1.844 1.00 0.00 C ATOM 118 CG LYS A 7 41.581 -36.937 -2.942 1.00 0.00 C ATOM 119 CD LYS A 7 41.828 -37.946 -4.066 1.00 0.00 C ATOM 120 CE LYS A 7 42.581 -37.297 -5.229 1.00 0.00 C ATOM 121 NZ LYS A 7 44.042 -37.366 -5.003 1.00 0.00 N ATOM 0 H LYS A 7 40.459 -37.008 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 7 43.121 -36.309 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 7 43.626 -36.862 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 7 42.658 -38.095 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 7 40.589 -37.095 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 7 41.597 -35.925 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 7 42.401 -38.790 -3.683 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.876 -38.342 -4.420 1.00 0.00 H new ATOM 0 HE2 LYS A 7 42.327 -37.802 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 7 42.272 -36.257 -5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 44.435 -36.403 -4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 44.231 -37.843 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 44.488 -37.900 -5.776 1.00 0.00 H new ATOM 134 N ALA A 8 43.355 -33.942 -0.367 1.00 0.00 N ATOM 135 CA ALA A 8 43.572 -32.528 -0.622 1.00 0.00 C ATOM 136 C ALA A 8 44.875 -32.088 0.050 1.00 0.00 C ATOM 137 O ALA A 8 45.896 -31.926 -0.616 1.00 0.00 O ATOM 138 CB ALA A 8 42.364 -31.729 -0.130 1.00 0.00 C ATOM 0 H ALA A 8 43.930 -34.334 0.379 1.00 0.00 H new ATOM 0 HA ALA A 8 43.672 -32.342 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 8 42.527 -30.668 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 8 41.470 -32.060 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 8 42.234 -31.889 0.940 1.00 0.00 H new ATOM 144 N GLU A 9 44.796 -31.906 1.360 1.00 0.00 N ATOM 145 CA GLU A 9 45.956 -31.488 2.128 1.00 0.00 C ATOM 146 C GLU A 9 46.354 -30.059 1.754 1.00 0.00 C ATOM 147 O GLU A 9 47.412 -29.579 2.158 1.00 0.00 O ATOM 148 CB GLU A 9 47.125 -32.454 1.926 1.00 0.00 C ATOM 149 CG GLU A 9 47.187 -33.484 3.055 1.00 0.00 C ATOM 150 CD GLU A 9 47.167 -34.910 2.498 1.00 0.00 C ATOM 151 OE1 GLU A 9 46.559 -35.155 1.446 1.00 0.00 O ATOM 152 OE2 GLU A 9 47.814 -35.778 3.199 1.00 0.00 O ATOM 0 H GLU A 9 43.947 -32.040 1.909 1.00 0.00 H new ATOM 0 HA GLU A 9 45.692 -31.505 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 9 47.018 -32.964 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 9 48.060 -31.895 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 9 48.093 -33.332 3.642 1.00 0.00 H new ATOM 0 HG3 GLU A 9 46.343 -33.341 3.729 1.00 0.00 H new ATOM 160 N LYS A 10 45.485 -29.419 0.985 1.00 0.00 N ATOM 161 CA LYS A 10 45.732 -28.055 0.551 1.00 0.00 C ATOM 162 C LYS A 10 44.574 -27.163 1.003 1.00 0.00 C ATOM 163 O LYS A 10 44.792 -26.053 1.487 1.00 0.00 O ATOM 164 CB LYS A 10 45.991 -28.010 -0.956 1.00 0.00 C ATOM 165 CG LYS A 10 45.106 -29.017 -1.694 1.00 0.00 C ATOM 166 CD LYS A 10 44.908 -28.605 -3.155 1.00 0.00 C ATOM 167 CE LYS A 10 46.211 -28.744 -3.944 1.00 0.00 C ATOM 168 NZ LYS A 10 46.033 -29.679 -5.078 1.00 0.00 N ATOM 0 H LYS A 10 44.609 -29.820 0.651 1.00 0.00 H new ATOM 0 HA LYS A 10 46.637 -27.665 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 10 45.797 -27.006 -1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 10 47.040 -28.228 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 10 45.560 -30.007 -1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 10 44.138 -29.088 -1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 10 44.135 -29.225 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 10 44.558 -27.574 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 10 46.524 -27.768 -4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 10 47.003 -29.105 -3.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 46.927 -29.762 -5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 45.756 -30.614 -4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 45.291 -29.319 -5.712 1.00 0.00 H new ATOM 181 N HIS A 11 43.367 -27.681 0.829 1.00 0.00 N ATOM 182 CA HIS A 11 42.174 -26.945 1.212 1.00 0.00 C ATOM 183 C HIS A 11 42.158 -25.589 0.505 1.00 0.00 C ATOM 184 O HIS A 11 42.177 -24.545 1.155 1.00 0.00 O ATOM 185 CB HIS A 11 42.078 -26.821 2.734 1.00 0.00 C ATOM 186 CG HIS A 11 41.664 -28.096 3.429 1.00 0.00 C ATOM 187 ND1 HIS A 11 42.096 -29.346 3.022 1.00 0.00 N ATOM 188 CD2 HIS A 11 40.854 -28.300 4.508 1.00 0.00 C ATOM 189 CE1 HIS A 11 41.563 -30.255 3.826 1.00 0.00 C ATOM 190 NE2 HIS A 11 40.793 -29.605 4.746 1.00 0.00 N ATOM 0 H HIS A 11 43.189 -28.602 0.428 1.00 0.00 H new ATOM 0 HA HIS A 11 41.287 -27.492 0.893 1.00 0.00 H new ATOM 0 HB2 HIS A 11 43.045 -26.504 3.124 1.00 0.00 H new ATOM 0 HB3 HIS A 11 41.362 -26.036 2.980 1.00 0.00 H new ATOM 0 HD2 HIS A 11 40.348 -27.531 5.073 1.00 0.00 H new ATOM 0 HE1 HIS A 11 41.712 -31.323 3.764 1.00 0.00 H new ATOM 0 HE2 HIS A 11 40.259 -30.048 5.493 1.00 0.00 H new ATOM 198 N VAL A 12 42.123 -25.648 -0.819 1.00 0.00 N ATOM 199 CA VAL A 12 42.104 -24.437 -1.621 1.00 0.00 C ATOM 200 C VAL A 12 43.431 -23.695 -1.449 1.00 0.00 C ATOM 201 O VAL A 12 43.886 -23.484 -0.326 1.00 0.00 O ATOM 202 CB VAL A 12 40.889 -23.584 -1.252 1.00 0.00 C ATOM 203 CG1 VAL A 12 40.777 -22.364 -2.170 1.00 0.00 C ATOM 204 CG2 VAL A 12 39.605 -24.414 -1.285 1.00 0.00 C ATOM 0 H VAL A 12 42.107 -26.515 -1.355 1.00 0.00 H new ATOM 0 HA VAL A 12 42.003 -24.681 -2.679 1.00 0.00 H new ATOM 0 HB VAL A 12 41.029 -23.225 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 12 39.905 -21.774 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 12 41.675 -21.753 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 12 40.671 -22.695 -3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 12 38.757 -23.783 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 12 39.457 -24.816 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 12 39.684 -25.235 -0.573 1.00 0.00 H new ATOM 214 N HIS A 13 44.014 -23.320 -2.578 1.00 0.00 N ATOM 215 CA HIS A 13 45.279 -22.606 -2.566 1.00 0.00 C ATOM 216 C HIS A 13 45.019 -21.102 -2.465 1.00 0.00 C ATOM 217 O HIS A 13 45.401 -20.467 -1.483 1.00 0.00 O ATOM 218 CB HIS A 13 46.126 -22.981 -3.784 1.00 0.00 C ATOM 219 CG HIS A 13 47.031 -24.169 -3.561 1.00 0.00 C ATOM 220 ND1 HIS A 13 48.410 -24.086 -3.642 1.00 0.00 N ATOM 221 CD2 HIS A 13 46.740 -25.467 -3.259 1.00 0.00 C ATOM 222 CE1 HIS A 13 48.916 -25.286 -3.398 1.00 0.00 C ATOM 223 NE2 HIS A 13 47.879 -26.140 -3.162 1.00 0.00 N ATOM 0 H HIS A 13 43.633 -23.497 -3.508 1.00 0.00 H new ATOM 0 HA HIS A 13 45.857 -22.899 -1.690 1.00 0.00 H new ATOM 0 HB2 HIS A 13 45.463 -23.195 -4.623 1.00 0.00 H new ATOM 0 HB3 HIS A 13 46.734 -22.122 -4.069 1.00 0.00 H new ATOM 0 HD1 HIS A 13 48.946 -23.244 -3.854 1.00 0.00 H new ATOM 0 HD2 HIS A 13 45.750 -25.877 -3.122 1.00 0.00 H new ATOM 0 HE1 HIS A 13 49.965 -25.543 -3.388 1.00 0.00 H new ATOM 231 N ASN A 14 44.370 -20.576 -3.494 1.00 0.00 N ATOM 232 CA ASN A 14 44.055 -19.158 -3.533 1.00 0.00 C ATOM 233 C ASN A 14 43.422 -18.818 -4.884 1.00 0.00 C ATOM 234 O ASN A 14 44.130 -18.584 -5.863 1.00 0.00 O ATOM 235 CB ASN A 14 45.317 -18.308 -3.374 1.00 0.00 C ATOM 236 CG ASN A 14 46.337 -18.631 -4.467 1.00 0.00 C ATOM 237 OD1 ASN A 14 46.769 -19.760 -4.635 1.00 0.00 O ATOM 238 ND2 ASN A 14 46.697 -17.581 -5.199 1.00 0.00 N ATOM 0 H ASN A 14 44.054 -21.106 -4.306 1.00 0.00 H new ATOM 0 HA ASN A 14 43.370 -18.942 -2.713 1.00 0.00 H new ATOM 0 HB2 ASN A 14 45.055 -17.251 -3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 14 45.760 -18.487 -2.394 1.00 0.00 H new ATOM 0 HD21 ASN A 14 47.373 -17.694 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 14 46.297 -16.663 -5.005 1.00 0.00 H new ATOM 245 N PHE A 15 42.098 -18.802 -4.894 1.00 0.00 N ATOM 246 CA PHE A 15 41.362 -18.495 -6.109 1.00 0.00 C ATOM 247 C PHE A 15 40.608 -17.170 -5.973 1.00 0.00 C ATOM 248 O PHE A 15 40.746 -16.285 -6.816 1.00 0.00 O ATOM 249 CB PHE A 15 40.352 -19.624 -6.318 1.00 0.00 C ATOM 250 CG PHE A 15 40.952 -20.890 -6.934 1.00 0.00 C ATOM 251 CD1 PHE A 15 41.670 -21.747 -6.160 1.00 0.00 C ATOM 252 CD2 PHE A 15 40.767 -21.158 -8.254 1.00 0.00 C ATOM 253 CE1 PHE A 15 42.227 -22.922 -6.731 1.00 0.00 C ATOM 254 CE2 PHE A 15 41.324 -22.332 -8.825 1.00 0.00 C ATOM 255 CZ PHE A 15 42.042 -23.190 -8.052 1.00 0.00 C ATOM 0 H PHE A 15 41.515 -18.997 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 15 42.051 -18.406 -6.949 1.00 0.00 H new ATOM 0 HB2 PHE A 15 39.902 -19.877 -5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 15 39.549 -19.265 -6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 15 41.817 -21.534 -5.111 1.00 0.00 H new ATOM 0 HD2 PHE A 15 40.196 -20.477 -8.868 1.00 0.00 H new ATOM 0 HE1 PHE A 15 42.797 -23.603 -6.117 1.00 0.00 H new ATOM 0 HE2 PHE A 15 41.178 -22.544 -9.874 1.00 0.00 H new ATOM 0 HZ PHE A 15 42.465 -24.084 -8.486 1.00 0.00 H new ATOM 265 N MET A 16 39.828 -17.077 -4.907 1.00 0.00 N ATOM 266 CA MET A 16 39.052 -15.876 -4.650 1.00 0.00 C ATOM 267 C MET A 16 39.896 -14.821 -3.931 1.00 0.00 C ATOM 268 O MET A 16 39.988 -13.681 -4.383 1.00 0.00 O ATOM 269 CB MET A 16 37.835 -16.228 -3.792 1.00 0.00 C ATOM 270 CG MET A 16 36.846 -17.095 -4.574 1.00 0.00 C ATOM 271 SD MET A 16 35.210 -16.386 -4.485 1.00 0.00 S ATOM 272 CE MET A 16 34.227 -17.876 -4.462 1.00 0.00 C ATOM 0 H MET A 16 39.716 -17.814 -4.211 1.00 0.00 H new ATOM 0 HA MET A 16 38.727 -15.465 -5.606 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.158 -16.757 -2.895 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.341 -15.314 -3.462 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.162 -17.173 -5.614 1.00 0.00 H new ATOM 0 HG3 MET A 16 36.836 -18.106 -4.168 1.00 0.00 H new ATOM 0 HE1 MET A 16 33.170 -17.614 -4.408 1.00 0.00 H new ATOM 0 HE2 MET A 16 34.413 -18.448 -5.371 1.00 0.00 H new ATOM 0 HE3 MET A 16 34.497 -18.477 -3.593 1.00 0.00 H new ATOM 282 N MET A 17 40.490 -15.240 -2.823 1.00 0.00 N ATOM 283 CA MET A 17 41.323 -14.345 -2.037 1.00 0.00 C ATOM 284 C MET A 17 40.489 -13.221 -1.420 1.00 0.00 C ATOM 285 O MET A 17 39.820 -12.476 -2.134 1.00 0.00 O ATOM 286 CB MET A 17 42.411 -13.744 -2.929 1.00 0.00 C ATOM 287 CG MET A 17 42.674 -14.633 -4.147 1.00 0.00 C ATOM 288 SD MET A 17 44.364 -14.440 -4.689 1.00 0.00 S ATOM 289 CE MET A 17 44.105 -14.234 -6.443 1.00 0.00 C ATOM 0 H MET A 17 40.411 -16.187 -2.451 1.00 0.00 H new ATOM 0 HA MET A 17 41.779 -14.918 -1.230 1.00 0.00 H new ATOM 0 HB2 MET A 17 42.108 -12.750 -3.258 1.00 0.00 H new ATOM 0 HB3 MET A 17 43.331 -13.624 -2.356 1.00 0.00 H new ATOM 0 HG2 MET A 17 42.481 -15.676 -3.895 1.00 0.00 H new ATOM 0 HG3 MET A 17 41.992 -14.369 -4.955 1.00 0.00 H new ATOM 0 HE1 MET A 17 45.066 -14.100 -6.939 1.00 0.00 H new ATOM 0 HE2 MET A 17 43.610 -15.118 -6.844 1.00 0.00 H new ATOM 0 HE3 MET A 17 43.481 -13.358 -6.618 1.00 0.00 H new ATOM 299 N ASP A 18 40.557 -13.133 -0.099 1.00 0.00 N ATOM 300 CA ASP A 18 39.817 -12.112 0.622 1.00 0.00 C ATOM 301 C ASP A 18 38.403 -12.011 0.047 1.00 0.00 C ATOM 302 O ASP A 18 38.150 -11.207 -0.849 1.00 0.00 O ATOM 303 CB ASP A 18 40.485 -10.743 0.478 1.00 0.00 C ATOM 304 CG ASP A 18 41.502 -10.402 1.569 1.00 0.00 C ATOM 305 OD1 ASP A 18 42.721 -10.503 1.360 1.00 0.00 O ATOM 306 OD2 ASP A 18 40.992 -10.013 2.688 1.00 0.00 O ATOM 0 H ASP A 18 41.113 -13.752 0.490 1.00 0.00 H new ATOM 0 HA ASP A 18 39.793 -12.393 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 18 40.984 -10.699 -0.490 1.00 0.00 H new ATOM 0 HB3 ASP A 18 39.710 -9.976 0.472 1.00 0.00 H new ATOM 312 N THR A 19 37.519 -12.838 0.585 1.00 0.00 N ATOM 313 CA THR A 19 36.137 -12.852 0.137 1.00 0.00 C ATOM 314 C THR A 19 35.302 -11.864 0.954 1.00 0.00 C ATOM 315 O THR A 19 34.407 -12.268 1.696 1.00 0.00 O ATOM 316 CB THR A 19 35.628 -14.292 0.219 1.00 0.00 C ATOM 317 OG1 THR A 19 35.822 -14.652 1.584 1.00 0.00 O ATOM 318 CG2 THR A 19 36.514 -15.271 -0.554 1.00 0.00 C ATOM 0 H THR A 19 37.733 -13.504 1.328 1.00 0.00 H new ATOM 0 HA THR A 19 36.053 -12.521 -0.898 1.00 0.00 H new ATOM 0 HB THR A 19 34.610 -14.340 -0.169 1.00 0.00 H new ATOM 0 HG1 THR A 19 35.333 -14.027 2.160 1.00 0.00 H new ATOM 0 HG21 THR A 19 36.108 -16.279 -0.463 1.00 0.00 H new ATOM 0 HG22 THR A 19 36.542 -14.984 -1.605 1.00 0.00 H new ATOM 0 HG23 THR A 19 37.524 -15.248 -0.145 1.00 0.00 H new ATOM 326 N GLN A 20 35.623 -10.589 0.790 1.00 0.00 N ATOM 327 CA GLN A 20 34.913 -9.541 1.503 1.00 0.00 C ATOM 328 C GLN A 20 35.395 -8.165 1.041 1.00 0.00 C ATOM 329 O GLN A 20 34.587 -7.282 0.759 1.00 0.00 O ATOM 330 CB GLN A 20 35.075 -9.700 3.016 1.00 0.00 C ATOM 331 CG GLN A 20 33.767 -10.159 3.662 1.00 0.00 C ATOM 332 CD GLN A 20 33.725 -9.781 5.144 1.00 0.00 C ATOM 333 OE1 GLN A 20 34.524 -9.000 5.635 1.00 0.00 O ATOM 334 NE2 GLN A 20 32.752 -10.377 5.827 1.00 0.00 N ATOM 0 H GLN A 20 36.365 -10.258 0.174 1.00 0.00 H new ATOM 0 HA GLN A 20 33.851 -9.628 1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 20 35.862 -10.424 3.227 1.00 0.00 H new ATOM 0 HB3 GLN A 20 35.388 -8.752 3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 20 32.922 -9.705 3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 20 33.664 -11.239 3.555 1.00 0.00 H new ATOM 0 HE21 GLN A 20 32.117 -11.020 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 20 32.640 -10.191 6.824 1.00 0.00 H new ATOM 343 N LEU A 21 36.711 -8.025 0.979 1.00 0.00 N ATOM 344 CA LEU A 21 37.311 -6.771 0.556 1.00 0.00 C ATOM 345 C LEU A 21 38.636 -7.058 -0.154 1.00 0.00 C ATOM 346 O LEU A 21 39.649 -7.316 0.493 1.00 0.00 O ATOM 347 CB LEU A 21 37.445 -5.814 1.743 1.00 0.00 C ATOM 348 CG LEU A 21 38.286 -6.317 2.918 1.00 0.00 C ATOM 349 CD1 LEU A 21 39.326 -5.274 3.334 1.00 0.00 C ATOM 350 CD2 LEU A 21 37.395 -6.736 4.089 1.00 0.00 C ATOM 0 H LEU A 21 37.379 -8.759 1.215 1.00 0.00 H new ATOM 0 HA LEU A 21 36.667 -6.264 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 21 37.879 -4.881 1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 21 36.446 -5.580 2.111 1.00 0.00 H new ATOM 0 HG LEU A 21 38.831 -7.204 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 21 39.910 -5.656 4.171 1.00 0.00 H new ATOM 0 HD12 LEU A 21 39.989 -5.066 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 21 38.821 -4.356 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 21 38.017 -7.090 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 21 36.805 -5.882 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 21 36.727 -7.536 3.770 1.00 0.00 H new ATOM 362 N THR A 22 38.584 -7.003 -1.477 1.00 0.00 N ATOM 363 CA THR A 22 39.767 -7.253 -2.283 1.00 0.00 C ATOM 364 C THR A 22 40.195 -5.979 -3.014 1.00 0.00 C ATOM 365 O THR A 22 40.792 -6.045 -4.087 1.00 0.00 O ATOM 366 CB THR A 22 39.459 -8.419 -3.225 1.00 0.00 C ATOM 367 OG1 THR A 22 40.682 -8.633 -3.924 1.00 0.00 O ATOM 368 CG2 THR A 22 38.464 -8.039 -4.322 1.00 0.00 C ATOM 0 H THR A 22 37.741 -6.789 -2.011 1.00 0.00 H new ATOM 0 HA THR A 22 40.617 -7.534 -1.661 1.00 0.00 H new ATOM 0 HB THR A 22 39.062 -9.255 -2.649 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.960 -7.800 -4.359 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.281 -8.902 -4.962 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.526 -7.719 -3.868 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.874 -7.225 -4.919 1.00 0.00 H new ATOM 376 N LYS A 23 39.872 -4.848 -2.403 1.00 0.00 N ATOM 377 CA LYS A 23 40.216 -3.561 -2.982 1.00 0.00 C ATOM 378 C LYS A 23 41.735 -3.464 -3.135 1.00 0.00 C ATOM 379 O LYS A 23 42.394 -4.451 -3.461 1.00 0.00 O ATOM 380 CB LYS A 23 39.607 -2.424 -2.159 1.00 0.00 C ATOM 381 CG LYS A 23 39.209 -1.250 -3.055 1.00 0.00 C ATOM 382 CD LYS A 23 37.839 -1.486 -3.693 1.00 0.00 C ATOM 383 CE LYS A 23 37.362 -0.242 -4.446 1.00 0.00 C ATOM 384 NZ LYS A 23 36.725 -0.624 -5.726 1.00 0.00 N ATOM 0 H LYS A 23 39.376 -4.797 -1.513 1.00 0.00 H new ATOM 0 HA LYS A 23 39.789 -3.466 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 23 38.732 -2.788 -1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 23 40.324 -2.088 -1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 23 39.187 -0.332 -2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 23 39.958 -1.113 -3.835 1.00 0.00 H new ATOM 0 HD2 LYS A 23 37.894 -2.331 -4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 23 37.115 -1.748 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 23 36.653 0.313 -3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 23 38.206 0.421 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 36.407 0.232 -6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 37.412 -1.134 -6.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 35.908 -1.239 -5.537 1.00 0.00 H new ATOM 397 N ARG A 24 42.247 -2.266 -2.893 1.00 0.00 N ATOM 398 CA ARG A 24 43.676 -2.028 -3.000 1.00 0.00 C ATOM 399 C ARG A 24 44.026 -0.643 -2.453 1.00 0.00 C ATOM 400 O ARG A 24 43.449 -0.199 -1.461 1.00 0.00 O ATOM 401 CB ARG A 24 44.144 -2.128 -4.453 1.00 0.00 C ATOM 402 CG ARG A 24 43.591 -0.970 -5.288 1.00 0.00 C ATOM 403 CD ARG A 24 44.655 -0.427 -6.244 1.00 0.00 C ATOM 404 NE ARG A 24 44.465 1.028 -6.438 1.00 0.00 N ATOM 405 CZ ARG A 24 45.278 1.803 -7.188 1.00 0.00 C ATOM 406 NH1 ARG A 24 46.343 1.268 -7.821 1.00 0.00 N ATOM 407 NH2 ARG A 24 45.014 3.093 -7.291 1.00 0.00 N ATOM 0 H ARG A 24 41.698 -1.450 -2.623 1.00 0.00 H new ATOM 0 HA ARG A 24 44.184 -2.793 -2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 24 45.233 -2.120 -4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 24 43.818 -3.077 -4.879 1.00 0.00 H new ATOM 0 HG2 ARG A 24 42.725 -1.308 -5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 24 43.248 -0.173 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 24 45.650 -0.622 -5.843 1.00 0.00 H new ATOM 0 HD3 ARG A 24 44.591 -0.942 -7.203 1.00 0.00 H new ATOM 0 HE ARG A 24 43.671 1.473 -5.977 1.00 0.00 H new ATOM 0 HH11 ARG A 24 46.539 0.271 -7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 24 46.952 1.861 -8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 24 44.207 3.489 -6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 24 45.617 3.694 -7.853 1.00 0.00 H new ATOM 420 N VAL A 25 44.969 0.003 -3.123 1.00 0.00 N ATOM 421 CA VAL A 25 45.402 1.329 -2.716 1.00 0.00 C ATOM 422 C VAL A 25 45.308 1.446 -1.194 1.00 0.00 C ATOM 423 O VAL A 25 44.915 2.489 -0.672 1.00 0.00 O ATOM 424 CB VAL A 25 44.585 2.394 -3.450 1.00 0.00 C ATOM 425 CG1 VAL A 25 43.090 2.223 -3.176 1.00 0.00 C ATOM 426 CG2 VAL A 25 45.055 3.801 -3.074 1.00 0.00 C ATOM 0 H VAL A 25 45.445 -0.367 -3.945 1.00 0.00 H new ATOM 0 HA VAL A 25 46.444 1.492 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 25 44.746 2.262 -4.520 1.00 0.00 H new ATOM 0 HG11 VAL A 25 42.532 2.993 -3.709 1.00 0.00 H new ATOM 0 HG12 VAL A 25 42.768 1.239 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 25 42.903 2.315 -2.106 1.00 0.00 H new ATOM 0 HG21 VAL A 25 44.458 4.539 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 25 44.938 3.949 -2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 25 46.105 3.918 -3.344 1.00 0.00 H new ATOM 436 N LYS A 26 45.675 0.363 -0.525 1.00 0.00 N ATOM 437 CA LYS A 26 45.637 0.332 0.927 1.00 0.00 C ATOM 438 C LYS A 26 44.183 0.419 1.397 1.00 0.00 C ATOM 439 O LYS A 26 43.823 1.324 2.148 1.00 0.00 O ATOM 440 CB LYS A 26 46.538 1.423 1.511 1.00 0.00 C ATOM 441 CG LYS A 26 46.824 1.164 2.991 1.00 0.00 C ATOM 442 CD LYS A 26 47.418 -0.230 3.199 1.00 0.00 C ATOM 443 CE LYS A 26 48.289 -0.273 4.457 1.00 0.00 C ATOM 444 NZ LYS A 26 48.142 -1.576 5.144 1.00 0.00 N ATOM 0 H LYS A 26 46.000 -0.500 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 26 46.037 -0.612 1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 26 47.476 1.460 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 26 46.060 2.396 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 26 47.515 1.918 3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 26 45.903 1.260 3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 26 46.615 -0.962 3.283 1.00 0.00 H new ATOM 0 HD3 LYS A 26 48.014 -0.509 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 26 49.333 -0.112 4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 26 48.005 0.535 5.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 48.739 -1.589 5.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 47.148 -1.715 5.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 48.435 -2.341 4.504 1.00 0.00 H new ATOM 457 N ASN A 27 43.388 -0.534 0.935 1.00 0.00 N ATOM 458 CA ASN A 27 41.981 -0.577 1.298 1.00 0.00 C ATOM 459 C ASN A 27 41.182 0.300 0.332 1.00 0.00 C ATOM 460 O ASN A 27 40.135 -0.112 -0.163 1.00 0.00 O ATOM 461 CB ASN A 27 41.762 -0.041 2.714 1.00 0.00 C ATOM 462 CG ASN A 27 40.611 -0.774 3.406 1.00 0.00 C ATOM 463 OD1 ASN A 27 39.527 -0.928 2.870 1.00 0.00 O ATOM 464 ND2 ASN A 27 40.908 -1.218 4.625 1.00 0.00 N ATOM 0 H ASN A 27 43.691 -1.283 0.312 1.00 0.00 H new ATOM 0 HA ASN A 27 41.652 -1.615 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 27 42.676 -0.159 3.297 1.00 0.00 H new ATOM 0 HB3 ASN A 27 41.546 1.027 2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 27 40.207 -1.721 5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 27 41.836 -1.055 5.015 1.00 0.00 H new ATOM 471 N ALA A 28 41.708 1.492 0.092 1.00 0.00 N ATOM 472 CA ALA A 28 41.057 2.430 -0.807 1.00 0.00 C ATOM 473 C ALA A 28 40.044 3.263 -0.020 1.00 0.00 C ATOM 474 O ALA A 28 39.700 4.373 -0.424 1.00 0.00 O ATOM 475 CB ALA A 28 40.411 1.665 -1.963 1.00 0.00 C ATOM 0 H ALA A 28 42.578 1.830 0.504 1.00 0.00 H new ATOM 0 HA ALA A 28 41.785 3.117 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.923 2.369 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.177 1.113 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 28 39.672 0.967 -1.570 1.00 0.00 H new ATOM 481 N ALA A 29 39.593 2.696 1.090 1.00 0.00 N ATOM 482 CA ALA A 29 38.626 3.373 1.937 1.00 0.00 C ATOM 483 C ALA A 29 39.367 4.234 2.962 1.00 0.00 C ATOM 484 O ALA A 29 39.062 5.415 3.122 1.00 0.00 O ATOM 485 CB ALA A 29 37.712 2.338 2.595 1.00 0.00 C ATOM 0 H ALA A 29 39.880 1.775 1.422 1.00 0.00 H new ATOM 0 HA ALA A 29 37.994 4.036 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 29 36.986 2.845 3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 29 37.187 1.774 1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 29 38.310 1.657 3.200 1.00 0.00 H new ATOM 491 N ALA A 30 40.325 3.608 3.630 1.00 0.00 N ATOM 492 CA ALA A 30 41.111 4.303 4.636 1.00 0.00 C ATOM 493 C ALA A 30 40.175 4.881 5.699 1.00 0.00 C ATOM 494 O ALA A 30 40.567 5.763 6.462 1.00 0.00 O ATOM 495 CB ALA A 30 41.965 5.379 3.963 1.00 0.00 C ATOM 0 H ALA A 30 40.575 2.628 3.495 1.00 0.00 H new ATOM 0 HA ALA A 30 41.791 3.613 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 30 42.554 5.900 4.717 1.00 0.00 H new ATOM 0 HB2 ALA A 30 42.633 4.913 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 30 41.317 6.092 3.453 1.00 0.00 H new ATOM 501 N ASN A 31 38.957 4.361 5.715 1.00 0.00 N ATOM 502 CA ASN A 31 37.962 4.815 6.672 1.00 0.00 C ATOM 503 C ASN A 31 37.332 6.115 6.168 1.00 0.00 C ATOM 504 O ASN A 31 36.722 6.853 6.940 1.00 0.00 O ATOM 505 CB ASN A 31 38.597 5.095 8.035 1.00 0.00 C ATOM 506 CG ASN A 31 37.729 4.542 9.168 1.00 0.00 C ATOM 507 OD1 ASN A 31 36.614 4.089 8.966 1.00 0.00 O ATOM 508 ND2 ASN A 31 38.301 4.605 10.367 1.00 0.00 N ATOM 0 H ASN A 31 38.636 3.630 5.081 1.00 0.00 H new ATOM 0 HA ASN A 31 37.213 4.030 6.777 1.00 0.00 H new ATOM 0 HB2 ASN A 31 39.588 4.644 8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 31 38.730 6.169 8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 31 37.803 4.262 11.188 1.00 0.00 H new ATOM 0 HD22 ASN A 31 39.238 4.997 10.465 1.00 0.00 H new ATOM 515 N VAL A 32 37.500 6.355 4.876 1.00 0.00 N ATOM 516 CA VAL A 32 36.955 7.553 4.260 1.00 0.00 C ATOM 517 C VAL A 32 37.210 8.752 5.175 1.00 0.00 C ATOM 518 O VAL A 32 36.459 9.726 5.151 1.00 0.00 O ATOM 519 CB VAL A 32 35.473 7.349 3.940 1.00 0.00 C ATOM 520 CG1 VAL A 32 34.791 8.682 3.629 1.00 0.00 C ATOM 521 CG2 VAL A 32 35.292 6.358 2.788 1.00 0.00 C ATOM 0 H VAL A 32 38.006 5.740 4.239 1.00 0.00 H new ATOM 0 HA VAL A 32 37.453 7.756 3.312 1.00 0.00 H new ATOM 0 HB VAL A 32 34.995 6.926 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 32 33.738 8.509 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 32 34.874 9.343 4.491 1.00 0.00 H new ATOM 0 HG13 VAL A 32 35.274 9.146 2.769 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.229 6.231 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.792 6.740 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 32 35.725 5.397 3.064 1.00 0.00 H new ATOM 531 N LEU A 33 38.272 8.643 5.959 1.00 0.00 N ATOM 532 CA LEU A 33 38.635 9.706 6.880 1.00 0.00 C ATOM 533 C LEU A 33 37.364 10.311 7.480 1.00 0.00 C ATOM 534 O LEU A 33 37.327 11.499 7.796 1.00 0.00 O ATOM 535 CB LEU A 33 39.536 10.731 6.187 1.00 0.00 C ATOM 536 CG LEU A 33 40.269 11.710 7.107 1.00 0.00 C ATOM 537 CD1 LEU A 33 41.605 11.128 7.572 1.00 0.00 C ATOM 538 CD2 LEU A 33 40.441 13.072 6.432 1.00 0.00 C ATOM 0 H LEU A 33 38.893 7.834 5.975 1.00 0.00 H new ATOM 0 HA LEU A 33 39.221 9.309 7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 33 40.278 10.193 5.597 1.00 0.00 H new ATOM 0 HB3 LEU A 33 38.928 11.306 5.488 1.00 0.00 H new ATOM 0 HG LEU A 33 39.659 11.866 7.996 1.00 0.00 H new ATOM 0 HD11 LEU A 33 42.106 11.843 8.224 1.00 0.00 H new ATOM 0 HD12 LEU A 33 41.428 10.201 8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 33 42.234 10.924 6.706 1.00 0.00 H new ATOM 0 HD21 LEU A 33 40.965 13.749 7.107 1.00 0.00 H new ATOM 0 HD22 LEU A 33 41.020 12.954 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 33 39.461 13.485 6.192 1.00 0.00 H new ATOM 550 N ARG A 34 36.354 9.466 7.620 1.00 0.00 N ATOM 551 CA ARG A 34 35.084 9.902 8.177 1.00 0.00 C ATOM 552 C ARG A 34 34.141 8.709 8.346 1.00 0.00 C ATOM 553 O ARG A 34 33.340 8.675 9.279 1.00 0.00 O ATOM 554 CB ARG A 34 34.419 10.946 7.278 1.00 0.00 C ATOM 555 CG ARG A 34 32.968 11.189 7.701 1.00 0.00 C ATOM 556 CD ARG A 34 32.561 12.643 7.454 1.00 0.00 C ATOM 557 NE ARG A 34 33.339 13.543 8.335 1.00 0.00 N ATOM 558 CZ ARG A 34 33.053 13.761 9.636 1.00 0.00 C ATOM 559 NH1 ARG A 34 32.003 13.145 10.219 1.00 0.00 N ATOM 560 NH2 ARG A 34 33.815 14.586 10.329 1.00 0.00 N ATOM 0 H ARG A 34 36.389 8.481 7.357 1.00 0.00 H new ATOM 0 HA ARG A 34 35.285 10.351 9.150 1.00 0.00 H new ATOM 0 HB2 ARG A 34 34.977 11.881 7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 34 34.448 10.610 6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 34 32.307 10.523 7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 34 32.848 10.949 8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 34 32.733 12.905 6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 34 31.495 12.768 7.643 1.00 0.00 H new ATOM 0 HE ARG A 34 34.141 14.029 7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 34 31.419 12.509 9.676 1.00 0.00 H new ATOM 0 HH12 ARG A 34 31.794 13.315 11.203 1.00 0.00 H new ATOM 0 HH21 ARG A 34 34.606 15.048 9.880 1.00 0.00 H new ATOM 0 HH22 ARG A 34 33.613 14.762 11.313 1.00 0.00 H new ATOM 573 N GLU A 35 34.267 7.761 7.430 1.00 0.00 N ATOM 574 CA GLU A 35 33.436 6.570 7.466 1.00 0.00 C ATOM 575 C GLU A 35 32.157 6.790 6.655 1.00 0.00 C ATOM 576 O GLU A 35 31.123 7.159 7.208 1.00 0.00 O ATOM 577 CB GLU A 35 33.109 6.173 8.907 1.00 0.00 C ATOM 578 CG GLU A 35 34.330 6.344 9.813 1.00 0.00 C ATOM 579 CD GLU A 35 34.691 5.025 10.501 1.00 0.00 C ATOM 580 OE1 GLU A 35 33.885 4.084 10.498 1.00 0.00 O ATOM 581 OE2 GLU A 35 35.857 4.999 11.051 1.00 0.00 O ATOM 0 H GLU A 35 34.933 7.793 6.658 1.00 0.00 H new ATOM 0 HA GLU A 35 33.993 5.749 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 35 32.287 6.785 9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 35 32.773 5.136 8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 35 35.178 6.695 9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 35 34.126 7.106 10.565 1.00 0.00 H new ATOM 589 N THR A 36 32.271 6.554 5.356 1.00 0.00 N ATOM 590 CA THR A 36 31.137 6.721 4.463 1.00 0.00 C ATOM 591 C THR A 36 30.434 5.382 4.236 1.00 0.00 C ATOM 592 O THR A 36 29.259 5.347 3.875 1.00 0.00 O ATOM 593 CB THR A 36 31.643 7.368 3.172 1.00 0.00 C ATOM 594 OG1 THR A 36 31.582 8.767 3.436 1.00 0.00 O ATOM 595 CG2 THR A 36 30.681 7.167 2.000 1.00 0.00 C ATOM 0 H THR A 36 33.131 6.249 4.901 1.00 0.00 H new ATOM 0 HA THR A 36 30.384 7.377 4.899 1.00 0.00 H new ATOM 0 HB THR A 36 32.618 6.952 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 36 31.997 9.258 2.696 1.00 0.00 H new ATOM 0 HG21 THR A 36 31.088 7.645 1.109 1.00 0.00 H new ATOM 0 HG22 THR A 36 30.553 6.101 1.813 1.00 0.00 H new ATOM 0 HG23 THR A 36 29.715 7.611 2.242 1.00 0.00 H new ATOM 603 N TRP A 37 31.183 4.312 4.458 1.00 0.00 N ATOM 604 CA TRP A 37 30.646 2.973 4.283 1.00 0.00 C ATOM 605 C TRP A 37 29.963 2.563 5.589 1.00 0.00 C ATOM 606 O TRP A 37 29.232 1.574 5.628 1.00 0.00 O ATOM 607 CB TRP A 37 31.740 1.996 3.848 1.00 0.00 C ATOM 608 CG TRP A 37 33.030 2.674 3.381 1.00 0.00 C ATOM 609 CD1 TRP A 37 34.155 2.876 4.080 1.00 0.00 C ATOM 610 CD2 TRP A 37 33.282 3.234 2.075 1.00 0.00 C ATOM 611 NE1 TRP A 37 35.111 3.522 3.323 1.00 0.00 N ATOM 612 CE2 TRP A 37 34.563 3.747 2.065 1.00 0.00 C ATOM 613 CE3 TRP A 37 32.456 3.304 0.940 1.00 0.00 C ATOM 614 CZ2 TRP A 37 35.132 4.367 0.946 1.00 0.00 C ATOM 615 CZ3 TRP A 37 33.039 3.927 -0.170 1.00 0.00 C ATOM 616 CH2 TRP A 37 34.327 4.449 -0.196 1.00 0.00 C ATOM 0 H TRP A 37 32.157 4.345 4.758 1.00 0.00 H new ATOM 0 HA TRP A 37 29.906 2.956 3.483 1.00 0.00 H new ATOM 0 HB2 TRP A 37 31.972 1.332 4.681 1.00 0.00 H new ATOM 0 HB3 TRP A 37 31.356 1.373 3.040 1.00 0.00 H new ATOM 0 HD1 TRP A 37 34.296 2.572 5.107 1.00 0.00 H new ATOM 0 HE1 TRP A 37 36.047 3.786 3.630 1.00 0.00 H new ATOM 0 HE3 TRP A 37 31.451 2.909 0.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 36.138 4.761 0.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 32.446 4.008 -1.069 1.00 0.00 H new ATOM 0 HH2 TRP A 37 34.705 4.916 -1.094 1.00 0.00 H new ATOM 627 N LEU A 38 30.226 3.343 6.628 1.00 0.00 N ATOM 628 CA LEU A 38 29.645 3.073 7.932 1.00 0.00 C ATOM 629 C LEU A 38 28.354 3.878 8.087 1.00 0.00 C ATOM 630 O LEU A 38 27.400 3.413 8.709 1.00 0.00 O ATOM 631 CB LEU A 38 30.669 3.335 9.038 1.00 0.00 C ATOM 632 CG LEU A 38 31.931 2.470 9.002 1.00 0.00 C ATOM 633 CD1 LEU A 38 31.581 0.999 8.774 1.00 0.00 C ATOM 634 CD2 LEU A 38 32.924 2.992 7.961 1.00 0.00 C ATOM 0 H LEU A 38 30.834 4.162 6.593 1.00 0.00 H new ATOM 0 HA LEU A 38 29.377 2.020 8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 38 30.968 4.382 8.988 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.180 3.189 10.001 1.00 0.00 H new ATOM 0 HG LEU A 38 32.419 2.537 9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 38 32.496 0.406 8.753 1.00 0.00 H new ATOM 0 HD12 LEU A 38 30.940 0.648 9.583 1.00 0.00 H new ATOM 0 HD13 LEU A 38 31.058 0.893 7.824 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.812 2.360 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.460 2.974 6.975 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.208 4.014 8.210 1.00 0.00 H new ATOM 646 N ILE A 39 28.364 5.071 7.511 1.00 0.00 N ATOM 647 CA ILE A 39 27.205 5.944 7.577 1.00 0.00 C ATOM 648 C ILE A 39 26.202 5.536 6.496 1.00 0.00 C ATOM 649 O ILE A 39 24.993 5.581 6.718 1.00 0.00 O ATOM 650 CB ILE A 39 27.634 7.411 7.496 1.00 0.00 C ATOM 651 CG1 ILE A 39 28.412 7.684 6.207 1.00 0.00 C ATOM 652 CG2 ILE A 39 28.424 7.821 8.740 1.00 0.00 C ATOM 653 CD1 ILE A 39 27.609 8.579 5.261 1.00 0.00 C ATOM 0 H ILE A 39 29.157 5.454 6.996 1.00 0.00 H new ATOM 0 HA ILE A 39 26.701 5.836 8.537 1.00 0.00 H new ATOM 0 HB ILE A 39 26.736 8.028 7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 39 29.362 8.161 6.446 1.00 0.00 H new ATOM 0 HG13 ILE A 39 28.644 6.741 5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 39 28.717 8.868 8.657 1.00 0.00 H new ATOM 0 HG22 ILE A 39 27.803 7.687 9.626 1.00 0.00 H new ATOM 0 HG23 ILE A 39 29.316 7.201 8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 39 28.185 8.757 4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 39 26.670 8.088 5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 39 27.399 9.530 5.750 1.00 0.00 H new ATOM 665 N TYR A 40 26.741 5.148 5.350 1.00 0.00 N ATOM 666 CA TYR A 40 25.908 4.733 4.234 1.00 0.00 C ATOM 667 C TYR A 40 24.868 5.804 3.898 1.00 0.00 C ATOM 668 O TYR A 40 24.792 6.833 4.567 1.00 0.00 O ATOM 669 CB TYR A 40 25.186 3.465 4.696 1.00 0.00 C ATOM 670 CG TYR A 40 25.740 2.176 4.086 1.00 0.00 C ATOM 671 CD1 TYR A 40 27.104 2.001 3.965 1.00 0.00 C ATOM 672 CD2 TYR A 40 24.877 1.189 3.658 1.00 0.00 C ATOM 673 CE1 TYR A 40 27.625 0.788 3.391 1.00 0.00 C ATOM 674 CE2 TYR A 40 25.399 -0.025 3.084 1.00 0.00 C ATOM 675 CZ TYR A 40 26.747 -0.165 2.979 1.00 0.00 C ATOM 676 OH TYR A 40 27.240 -1.311 2.437 1.00 0.00 O ATOM 0 H TYR A 40 27.744 5.112 5.170 1.00 0.00 H new ATOM 0 HA TYR A 40 26.514 4.568 3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 40 25.250 3.398 5.782 1.00 0.00 H new ATOM 0 HB3 TYR A 40 24.129 3.549 4.444 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.780 2.774 4.301 1.00 0.00 H new ATOM 0 HD2 TYR A 40 23.810 1.326 3.753 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.690 0.638 3.290 1.00 0.00 H new ATOM 0 HE2 TYR A 40 24.734 -0.806 2.745 1.00 0.00 H new ATOM 0 HH TYR A 40 26.498 -1.901 2.189 1.00 0.00 H new ATOM 686 N LYS A 41 24.093 5.524 2.860 1.00 0.00 N ATOM 687 CA LYS A 41 23.061 6.451 2.427 1.00 0.00 C ATOM 688 C LYS A 41 22.013 6.595 3.533 1.00 0.00 C ATOM 689 O LYS A 41 21.547 7.699 3.811 1.00 0.00 O ATOM 690 CB LYS A 41 22.478 6.013 1.081 1.00 0.00 C ATOM 691 CG LYS A 41 21.805 4.644 1.195 1.00 0.00 C ATOM 692 CD LYS A 41 20.399 4.772 1.786 1.00 0.00 C ATOM 693 CE LYS A 41 19.334 4.396 0.754 1.00 0.00 C ATOM 694 NZ LYS A 41 18.278 3.567 1.377 1.00 0.00 N ATOM 0 H LYS A 41 24.159 4.670 2.307 1.00 0.00 H new ATOM 0 HA LYS A 41 23.485 7.441 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 41 21.753 6.751 0.737 1.00 0.00 H new ATOM 0 HB3 LYS A 41 23.270 5.972 0.334 1.00 0.00 H new ATOM 0 HG2 LYS A 41 21.749 4.179 0.211 1.00 0.00 H new ATOM 0 HG3 LYS A 41 22.409 3.989 1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.308 4.127 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.236 5.794 2.127 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.894 5.299 0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 41 19.794 3.850 -0.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 17.425 3.587 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.614 2.587 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.052 3.943 2.320 1.00 0.00 H new ATOM 707 N ASN A 42 21.674 5.464 4.133 1.00 0.00 N ATOM 708 CA ASN A 42 20.690 5.450 5.202 1.00 0.00 C ATOM 709 C ASN A 42 19.374 6.034 4.686 1.00 0.00 C ATOM 710 O ASN A 42 19.259 7.244 4.498 1.00 0.00 O ATOM 711 CB ASN A 42 21.152 6.301 6.387 1.00 0.00 C ATOM 712 CG ASN A 42 20.120 6.276 7.516 1.00 0.00 C ATOM 713 OD1 ASN A 42 19.176 5.503 7.512 1.00 0.00 O ATOM 714 ND2 ASN A 42 20.352 7.162 8.480 1.00 0.00 N ATOM 0 H ASN A 42 22.063 4.551 3.899 1.00 0.00 H new ATOM 0 HA ASN A 42 20.561 4.418 5.527 1.00 0.00 H new ATOM 0 HB2 ASN A 42 22.108 5.929 6.755 1.00 0.00 H new ATOM 0 HB3 ASN A 42 21.314 7.328 6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 42 19.720 7.224 9.279 1.00 0.00 H new ATOM 0 HD22 ASN A 42 21.162 7.780 8.421 1.00 0.00 H new ATOM 721 N THR A 43 18.414 5.146 4.471 1.00 0.00 N ATOM 722 CA THR A 43 17.110 5.558 3.981 1.00 0.00 C ATOM 723 C THR A 43 16.653 6.837 4.687 1.00 0.00 C ATOM 724 O THR A 43 16.238 6.796 5.844 1.00 0.00 O ATOM 725 CB THR A 43 16.144 4.386 4.162 1.00 0.00 C ATOM 726 OG1 THR A 43 16.625 3.397 3.256 1.00 0.00 O ATOM 727 CG2 THR A 43 14.736 4.703 3.655 1.00 0.00 C ATOM 0 H THR A 43 18.514 4.143 4.627 1.00 0.00 H new ATOM 0 HA THR A 43 17.148 5.806 2.920 1.00 0.00 H new ATOM 0 HB THR A 43 16.097 4.115 5.217 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.072 3.398 2.447 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.091 3.838 3.807 1.00 0.00 H new ATOM 0 HG22 THR A 43 14.335 5.555 4.203 1.00 0.00 H new ATOM 0 HG23 THR A 43 14.777 4.942 2.592 1.00 0.00 H new ATOM 735 N LYS A 44 16.746 7.941 3.961 1.00 0.00 N ATOM 736 CA LYS A 44 16.348 9.229 4.504 1.00 0.00 C ATOM 737 C LYS A 44 14.897 9.150 4.980 1.00 0.00 C ATOM 738 O LYS A 44 13.983 8.982 4.174 1.00 0.00 O ATOM 739 CB LYS A 44 16.601 10.341 3.484 1.00 0.00 C ATOM 740 CG LYS A 44 15.690 10.185 2.265 1.00 0.00 C ATOM 741 CD LYS A 44 16.134 11.107 1.127 1.00 0.00 C ATOM 742 CE LYS A 44 15.467 10.710 -0.192 1.00 0.00 C ATOM 743 NZ LYS A 44 14.961 11.907 -0.898 1.00 0.00 N ATOM 0 H LYS A 44 17.091 7.971 3.002 1.00 0.00 H new ATOM 0 HA LYS A 44 16.956 9.481 5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.429 11.312 3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.644 10.319 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.705 9.149 1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.661 10.414 2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.881 12.139 1.370 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.218 11.061 1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.182 10.183 -0.824 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.645 10.021 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.512 11.619 -1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.263 12.394 -0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.752 12.551 -1.100 1.00 0.00 H new ATOM 756 N LEU A 45 14.729 9.275 6.289 1.00 0.00 N ATOM 757 CA LEU A 45 13.404 9.220 6.882 1.00 0.00 C ATOM 758 C LEU A 45 12.975 10.630 7.293 1.00 0.00 C ATOM 759 O LEU A 45 12.661 10.872 8.457 1.00 0.00 O ATOM 760 CB LEU A 45 13.373 8.208 8.030 1.00 0.00 C ATOM 761 CG LEU A 45 14.417 8.410 9.130 1.00 0.00 C ATOM 762 CD1 LEU A 45 13.754 8.808 10.450 1.00 0.00 C ATOM 763 CD2 LEU A 45 15.299 7.168 9.283 1.00 0.00 C ATOM 0 H LEU A 45 15.489 9.414 6.955 1.00 0.00 H new ATOM 0 HA LEU A 45 12.675 8.864 6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.383 8.236 8.486 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.503 7.210 7.612 1.00 0.00 H new ATOM 0 HG LEU A 45 15.068 9.234 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.519 8.945 11.214 1.00 0.00 H new ATOM 0 HD12 LEU A 45 13.205 9.740 10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.065 8.023 10.762 1.00 0.00 H new ATOM 0 HD21 LEU A 45 16.033 7.338 10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 45 14.678 6.311 9.543 1.00 0.00 H new ATOM 0 HD23 LEU A 45 15.815 6.970 8.343 1.00 0.00 H new ATOM 775 N VAL A 46 12.976 11.523 6.314 1.00 0.00 N ATOM 776 CA VAL A 46 12.591 12.902 6.560 1.00 0.00 C ATOM 777 C VAL A 46 11.661 13.374 5.440 1.00 0.00 C ATOM 778 O VAL A 46 12.052 14.190 4.607 1.00 0.00 O ATOM 779 CB VAL A 46 13.838 13.775 6.710 1.00 0.00 C ATOM 780 CG1 VAL A 46 14.729 13.676 5.470 1.00 0.00 C ATOM 781 CG2 VAL A 46 13.459 15.229 6.997 1.00 0.00 C ATOM 0 H VAL A 46 13.237 11.318 5.349 1.00 0.00 H new ATOM 0 HA VAL A 46 12.040 12.984 7.497 1.00 0.00 H new ATOM 0 HB VAL A 46 14.406 13.403 7.562 1.00 0.00 H new ATOM 0 HG11 VAL A 46 15.608 14.306 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 46 15.042 12.641 5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 46 14.172 14.010 4.594 1.00 0.00 H new ATOM 0 HG21 VAL A 46 14.364 15.828 7.099 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.858 15.617 6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.884 15.279 7.922 1.00 0.00 H new ATOM 791 N LYS A 47 10.449 12.841 5.456 1.00 0.00 N ATOM 792 CA LYS A 47 9.461 13.198 4.452 1.00 0.00 C ATOM 793 C LYS A 47 9.926 12.696 3.084 1.00 0.00 C ATOM 794 O LYS A 47 9.827 13.413 2.089 1.00 0.00 O ATOM 795 CB LYS A 47 9.175 14.700 4.492 1.00 0.00 C ATOM 796 CG LYS A 47 8.358 15.071 5.731 1.00 0.00 C ATOM 797 CD LYS A 47 8.812 16.414 6.306 1.00 0.00 C ATOM 798 CE LYS A 47 7.710 17.467 6.174 1.00 0.00 C ATOM 799 NZ LYS A 47 8.170 18.768 6.709 1.00 0.00 N ATOM 0 H LYS A 47 10.128 12.164 6.148 1.00 0.00 H new ATOM 0 HA LYS A 47 8.509 12.711 4.664 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.115 15.253 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.633 14.994 3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.300 15.121 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.464 14.293 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.080 16.292 7.356 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.708 16.753 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.427 17.577 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.820 17.140 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.410 19.472 6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.418 18.662 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.006 19.086 6.178 1.00 0.00 H new ATOM 812 N LYS A 48 10.424 11.468 3.077 1.00 0.00 N ATOM 813 CA LYS A 48 10.905 10.862 1.848 1.00 0.00 C ATOM 814 C LYS A 48 9.794 10.901 0.796 1.00 0.00 C ATOM 815 O LYS A 48 8.722 11.453 1.041 1.00 0.00 O ATOM 816 CB LYS A 48 11.445 9.456 2.119 1.00 0.00 C ATOM 817 CG LYS A 48 10.454 8.638 2.948 1.00 0.00 C ATOM 818 CD LYS A 48 10.822 7.153 2.934 1.00 0.00 C ATOM 819 CE LYS A 48 10.246 6.457 1.698 1.00 0.00 C ATOM 820 NZ LYS A 48 10.486 4.999 1.766 1.00 0.00 N ATOM 0 H LYS A 48 10.505 10.876 3.904 1.00 0.00 H new ATOM 0 HA LYS A 48 11.745 11.430 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.639 8.949 1.174 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.397 9.524 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.444 9.004 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.447 8.771 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.906 7.043 2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.443 6.672 3.836 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.176 6.653 1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.704 6.865 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.089 4.542 0.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.509 4.817 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.029 4.611 2.616 1.00 0.00 H new ATOM 833 N ILE A 49 10.088 10.308 -0.352 1.00 0.00 N ATOM 834 CA ILE A 49 9.127 10.269 -1.441 1.00 0.00 C ATOM 835 C ILE A 49 7.841 9.597 -0.957 1.00 0.00 C ATOM 836 O ILE A 49 7.750 9.182 0.198 1.00 0.00 O ATOM 837 CB ILE A 49 9.742 9.602 -2.674 1.00 0.00 C ATOM 838 CG1 ILE A 49 10.276 8.209 -2.335 1.00 0.00 C ATOM 839 CG2 ILE A 49 10.819 10.492 -3.298 1.00 0.00 C ATOM 840 CD1 ILE A 49 9.501 7.127 -3.090 1.00 0.00 C ATOM 0 H ILE A 49 10.978 9.851 -0.551 1.00 0.00 H new ATOM 0 HA ILE A 49 8.862 11.280 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 49 8.958 9.473 -3.420 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.334 8.149 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE A 49 10.197 8.036 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.240 9.995 -4.172 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.377 11.442 -3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 49 11.608 10.674 -2.569 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.900 6.146 -2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 49 8.448 7.174 -2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 49 9.602 7.289 -4.163 1.00 0.00 H new ATOM 852 N ASP A 50 6.878 9.511 -1.863 1.00 0.00 N ATOM 853 CA ASP A 50 5.601 8.897 -1.543 1.00 0.00 C ATOM 854 C ASP A 50 4.921 9.696 -0.430 1.00 0.00 C ATOM 855 O ASP A 50 5.490 9.878 0.645 1.00 0.00 O ATOM 856 CB ASP A 50 5.789 7.462 -1.048 1.00 0.00 C ATOM 857 CG ASP A 50 4.492 6.704 -0.755 1.00 0.00 C ATOM 858 OD1 ASP A 50 3.755 6.320 -1.675 1.00 0.00 O ATOM 859 OD2 ASP A 50 4.246 6.509 0.496 1.00 0.00 O ATOM 0 H ASP A 50 6.957 9.857 -2.819 1.00 0.00 H new ATOM 0 HA ASP A 50 4.994 8.890 -2.448 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.356 6.907 -1.796 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.393 7.483 -0.141 1.00 0.00 H new ATOM 865 N HIS A 51 3.712 10.152 -0.725 1.00 0.00 N ATOM 866 CA HIS A 51 2.949 10.927 0.237 1.00 0.00 C ATOM 867 C HIS A 51 1.780 10.089 0.759 1.00 0.00 C ATOM 868 O HIS A 51 1.487 10.102 1.954 1.00 0.00 O ATOM 869 CB HIS A 51 2.500 12.257 -0.370 1.00 0.00 C ATOM 870 CG HIS A 51 2.893 13.468 0.442 1.00 0.00 C ATOM 871 ND1 HIS A 51 3.927 14.312 0.077 1.00 0.00 N ATOM 872 CD2 HIS A 51 2.380 13.966 1.604 1.00 0.00 C ATOM 873 CE1 HIS A 51 4.024 15.272 0.986 1.00 0.00 C ATOM 874 NE2 HIS A 51 3.065 15.056 1.931 1.00 0.00 N ATOM 0 H HIS A 51 3.242 9.999 -1.617 1.00 0.00 H new ATOM 0 HA HIS A 51 3.580 11.178 1.089 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.924 12.350 -1.370 1.00 0.00 H new ATOM 0 HB3 HIS A 51 1.416 12.245 -0.484 1.00 0.00 H new ATOM 0 HD2 HIS A 51 1.557 13.546 2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.737 16.083 0.979 1.00 0.00 H new ATOM 0 HE2 HIS A 51 2.901 15.636 2.754 1.00 0.00 H new ATOM 882 N ALA A 52 1.144 9.380 -0.162 1.00 0.00 N ATOM 883 CA ALA A 52 0.013 8.538 0.191 1.00 0.00 C ATOM 884 C ALA A 52 -1.098 9.406 0.784 1.00 0.00 C ATOM 885 O ALA A 52 -0.826 10.444 1.385 1.00 0.00 O ATOM 886 CB ALA A 52 0.474 7.442 1.153 1.00 0.00 C ATOM 0 H ALA A 52 1.390 9.371 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.391 8.046 -0.694 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.374 6.810 1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.242 6.836 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.883 7.898 2.055 1.00 0.00 H new ATOM 892 N LYS A 53 -2.327 8.948 0.596 1.00 0.00 N ATOM 893 CA LYS A 53 -3.481 9.669 1.105 1.00 0.00 C ATOM 894 C LYS A 53 -3.720 10.912 0.245 1.00 0.00 C ATOM 895 O LYS A 53 -4.789 11.068 -0.343 1.00 0.00 O ATOM 896 CB LYS A 53 -3.307 9.975 2.594 1.00 0.00 C ATOM 897 CG LYS A 53 -4.583 9.650 3.373 1.00 0.00 C ATOM 898 CD LYS A 53 -4.368 8.453 4.301 1.00 0.00 C ATOM 899 CE LYS A 53 -5.022 8.691 5.664 1.00 0.00 C ATOM 900 NZ LYS A 53 -5.056 7.437 6.449 1.00 0.00 N ATOM 0 H LYS A 53 -2.549 8.086 0.098 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.378 9.054 1.032 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.475 9.395 2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.054 11.027 2.726 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.888 10.518 3.958 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.394 9.434 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.786 7.555 3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.300 8.277 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.469 9.454 6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.035 9.069 5.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.503 7.616 7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.603 6.719 5.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.086 7.093 6.596 1.00 0.00 H new ATOM 913 N VAL A 54 -2.707 11.765 0.199 1.00 0.00 N ATOM 914 CA VAL A 54 -2.793 12.989 -0.579 1.00 0.00 C ATOM 915 C VAL A 54 -4.170 13.623 -0.372 1.00 0.00 C ATOM 916 O VAL A 54 -4.947 13.751 -1.317 1.00 0.00 O ATOM 917 CB VAL A 54 -2.484 12.698 -2.048 1.00 0.00 C ATOM 918 CG1 VAL A 54 -2.445 13.990 -2.867 1.00 0.00 C ATOM 919 CG2 VAL A 54 -1.174 11.920 -2.189 1.00 0.00 C ATOM 0 H VAL A 54 -1.822 11.632 0.688 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.048 13.710 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.288 12.076 -2.442 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.223 13.754 -3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.412 14.489 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.672 14.648 -2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.978 11.726 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.356 12.506 -1.769 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.254 10.973 -1.655 1.00 0.00 H new ATOM 929 N ARG A 55 -4.431 14.004 0.870 1.00 0.00 N ATOM 930 CA ARG A 55 -5.700 14.622 1.213 1.00 0.00 C ATOM 931 C ARG A 55 -5.485 15.753 2.220 1.00 0.00 C ATOM 932 O ARG A 55 -5.679 15.566 3.420 1.00 0.00 O ATOM 933 CB ARG A 55 -6.669 13.597 1.806 1.00 0.00 C ATOM 934 CG ARG A 55 -7.697 13.148 0.766 1.00 0.00 C ATOM 935 CD ARG A 55 -7.555 11.655 0.464 1.00 0.00 C ATOM 936 NE ARG A 55 -8.698 10.911 1.037 1.00 0.00 N ATOM 937 CZ ARG A 55 -8.742 9.567 1.161 1.00 0.00 C ATOM 938 NH1 ARG A 55 -7.703 8.808 0.752 1.00 0.00 N ATOM 939 NH2 ARG A 55 -9.815 9.007 1.688 1.00 0.00 N ATOM 0 H ARG A 55 -3.784 13.896 1.651 1.00 0.00 H new ATOM 0 HA ARG A 55 -6.131 15.025 0.296 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -6.113 12.733 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.181 14.030 2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.703 13.355 1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -7.566 13.722 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -7.511 11.496 -0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.620 11.279 0.880 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.504 11.447 1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.878 9.249 0.346 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -7.743 7.793 0.849 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -10.595 9.588 1.995 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.864 7.993 1.789 1.00 0.00 H new ATOM 952 N LYS A 56 -5.088 16.903 1.695 1.00 0.00 N ATOM 953 CA LYS A 56 -4.844 18.064 2.533 1.00 0.00 C ATOM 954 C LYS A 56 -6.178 18.734 2.869 1.00 0.00 C ATOM 955 O LYS A 56 -6.418 19.877 2.481 1.00 0.00 O ATOM 956 CB LYS A 56 -3.834 19.003 1.869 1.00 0.00 C ATOM 957 CG LYS A 56 -2.484 18.309 1.678 1.00 0.00 C ATOM 958 CD LYS A 56 -1.343 19.328 1.655 1.00 0.00 C ATOM 959 CE LYS A 56 -0.447 19.176 2.885 1.00 0.00 C ATOM 960 NZ LYS A 56 -0.911 20.061 3.977 1.00 0.00 N ATOM 0 H LYS A 56 -4.929 17.055 0.699 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.390 17.763 3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.218 19.332 0.903 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.705 19.896 2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.321 17.594 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.490 17.743 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.750 19.195 0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.753 20.337 1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.454 18.139 3.221 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.583 19.420 2.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.292 19.945 4.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.882 21.050 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.886 19.810 4.237 1.00 0.00 H new ATOM 973 N HIS A 57 -7.011 17.995 3.586 1.00 0.00 N ATOM 974 CA HIS A 57 -8.315 18.503 3.978 1.00 0.00 C ATOM 975 C HIS A 57 -9.070 17.428 4.761 1.00 0.00 C ATOM 976 O HIS A 57 -9.513 16.434 4.189 1.00 0.00 O ATOM 977 CB HIS A 57 -9.092 19.004 2.759 1.00 0.00 C ATOM 978 CG HIS A 57 -9.339 20.494 2.758 1.00 0.00 C ATOM 979 ND1 HIS A 57 -10.162 21.117 3.679 1.00 0.00 N ATOM 980 CD2 HIS A 57 -8.863 21.476 1.940 1.00 0.00 C ATOM 981 CE1 HIS A 57 -10.175 22.416 3.417 1.00 0.00 C ATOM 982 NE2 HIS A 57 -9.369 22.636 2.339 1.00 0.00 N ATOM 0 H HIS A 57 -6.809 17.048 3.906 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.191 19.363 4.636 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.543 18.736 1.856 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.051 18.487 2.714 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.189 21.334 1.109 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.727 23.168 3.961 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.185 23.543 1.910 1.00 0.00 H new ATOM 990 N GLN A 58 -9.194 17.665 6.059 1.00 0.00 N ATOM 991 CA GLN A 58 -9.889 16.730 6.928 1.00 0.00 C ATOM 992 C GLN A 58 -10.597 17.479 8.058 1.00 0.00 C ATOM 993 O GLN A 58 -10.424 18.688 8.210 1.00 0.00 O ATOM 994 CB GLN A 58 -8.925 15.680 7.485 1.00 0.00 C ATOM 995 CG GLN A 58 -7.888 16.324 8.408 1.00 0.00 C ATOM 996 CD GLN A 58 -6.947 15.270 8.995 1.00 0.00 C ATOM 997 OE1 GLN A 58 -7.174 14.075 8.897 1.00 0.00 O ATOM 998 NE2 GLN A 58 -5.882 15.777 9.609 1.00 0.00 N ATOM 0 H GLN A 58 -8.825 18.491 6.530 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.643 16.208 6.338 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.484 14.922 8.033 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -8.420 15.172 6.663 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.311 17.063 7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.394 16.855 9.215 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.753 16.788 9.655 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.194 15.155 10.034 1.00 0.00 H new ATOM 1007 N ARG A 59 -11.380 16.732 8.821 1.00 0.00 N ATOM 1008 CA ARG A 59 -12.115 17.311 9.933 1.00 0.00 C ATOM 1009 C ARG A 59 -13.162 18.301 9.419 1.00 0.00 C ATOM 1010 O ARG A 59 -13.035 19.507 9.627 1.00 0.00 O ATOM 1011 CB ARG A 59 -11.173 18.030 10.900 1.00 0.00 C ATOM 1012 CG ARG A 59 -10.824 17.137 12.092 1.00 0.00 C ATOM 1013 CD ARG A 59 -10.699 17.959 13.376 1.00 0.00 C ATOM 1014 NE ARG A 59 -9.514 18.842 13.299 1.00 0.00 N ATOM 1015 CZ ARG A 59 -8.266 18.466 13.653 1.00 0.00 C ATOM 1016 NH1 ARG A 59 -8.031 17.218 14.112 1.00 0.00 N ATOM 1017 NH2 ARG A 59 -7.280 19.336 13.544 1.00 0.00 N ATOM 0 H ARG A 59 -11.522 15.730 8.691 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.610 16.498 10.464 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.261 18.318 10.378 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.641 18.948 11.254 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -11.593 16.375 12.217 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -9.887 16.615 11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -11.599 18.556 13.524 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.612 17.295 14.236 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.648 19.794 12.957 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.799 16.552 14.193 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.086 16.942 14.377 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.466 20.277 13.197 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.332 19.068 13.807 1.00 0.00 H new ATOM 1030 N LYS A 60 -14.171 17.756 8.757 1.00 0.00 N ATOM 1031 CA LYS A 60 -15.239 18.576 8.211 1.00 0.00 C ATOM 1032 C LYS A 60 -16.364 18.694 9.242 1.00 0.00 C ATOM 1033 O LYS A 60 -16.722 17.712 9.890 1.00 0.00 O ATOM 1034 CB LYS A 60 -15.700 18.027 6.860 1.00 0.00 C ATOM 1035 CG LYS A 60 -14.954 18.708 5.709 1.00 0.00 C ATOM 1036 CD LYS A 60 -13.462 18.372 5.748 1.00 0.00 C ATOM 1037 CE LYS A 60 -13.051 17.556 4.521 1.00 0.00 C ATOM 1038 NZ LYS A 60 -13.376 16.126 4.718 1.00 0.00 N ATOM 0 H LYS A 60 -14.272 16.756 8.586 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.879 19.586 8.013 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -15.529 16.951 6.823 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.773 18.184 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -15.378 18.389 4.757 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -15.089 19.788 5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.879 19.292 5.789 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.236 17.811 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.565 17.933 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.982 17.671 4.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.091 15.586 3.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.866 15.766 5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.400 16.020 4.867 1.00 0.00 H new ATOM 1051 N PHE A 61 -16.889 19.905 9.363 1.00 0.00 N ATOM 1052 CA PHE A 61 -17.965 20.163 10.304 1.00 0.00 C ATOM 1053 C PHE A 61 -18.721 21.441 9.934 1.00 0.00 C ATOM 1054 O PHE A 61 -18.349 22.533 10.362 1.00 0.00 O ATOM 1055 CB PHE A 61 -17.322 20.346 11.680 1.00 0.00 C ATOM 1056 CG PHE A 61 -16.464 19.161 12.128 1.00 0.00 C ATOM 1057 CD1 PHE A 61 -17.053 18.066 12.680 1.00 0.00 C ATOM 1058 CD2 PHE A 61 -15.114 19.202 11.974 1.00 0.00 C ATOM 1059 CE1 PHE A 61 -16.257 16.965 13.095 1.00 0.00 C ATOM 1060 CE2 PHE A 61 -14.318 18.102 12.390 1.00 0.00 C ATOM 1061 CZ PHE A 61 -14.906 17.007 12.942 1.00 0.00 C ATOM 0 H PHE A 61 -16.589 20.718 8.825 1.00 0.00 H new ATOM 0 HA PHE A 61 -18.675 19.336 10.294 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -16.704 21.244 11.664 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -18.107 20.512 12.417 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -18.126 18.034 12.803 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -14.647 20.071 11.535 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -16.724 16.095 13.532 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -13.245 18.135 12.268 1.00 0.00 H new ATOM 0 HZ PHE A 61 -14.300 16.171 13.259 1.00 0.00 H new ATOM 1071 N LEU A 62 -19.769 21.263 9.143 1.00 0.00 N ATOM 1072 CA LEU A 62 -20.580 22.388 8.710 1.00 0.00 C ATOM 1073 C LEU A 62 -21.568 21.918 7.640 1.00 0.00 C ATOM 1074 O LEU A 62 -22.773 22.125 7.769 1.00 0.00 O ATOM 1075 CB LEU A 62 -19.691 23.548 8.259 1.00 0.00 C ATOM 1076 CG LEU A 62 -18.459 23.168 7.436 1.00 0.00 C ATOM 1077 CD1 LEU A 62 -18.647 23.539 5.964 1.00 0.00 C ATOM 1078 CD2 LEU A 62 -17.192 23.790 8.026 1.00 0.00 C ATOM 0 H LEU A 62 -20.075 20.356 8.791 1.00 0.00 H new ATOM 0 HA LEU A 62 -21.170 22.774 9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -20.297 24.237 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -19.359 24.091 9.144 1.00 0.00 H new ATOM 0 HG LEU A 62 -18.338 22.086 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -17.757 23.258 5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -19.512 23.010 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -18.807 24.614 5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -16.331 23.504 7.422 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -17.288 24.876 8.030 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.053 23.434 9.047 1.00 0.00 H new ATOM 1090 N GLN A 63 -21.019 21.293 6.608 1.00 0.00 N ATOM 1091 CA GLN A 63 -21.837 20.792 5.517 1.00 0.00 C ATOM 1092 C GLN A 63 -23.033 21.716 5.281 1.00 0.00 C ATOM 1093 O GLN A 63 -22.950 22.919 5.527 1.00 0.00 O ATOM 1094 CB GLN A 63 -22.297 19.359 5.790 1.00 0.00 C ATOM 1095 CG GLN A 63 -23.452 19.335 6.793 1.00 0.00 C ATOM 1096 CD GLN A 63 -24.634 18.530 6.249 1.00 0.00 C ATOM 1097 OE1 GLN A 63 -24.482 17.604 5.470 1.00 0.00 O ATOM 1098 NE2 GLN A 63 -25.818 18.934 6.702 1.00 0.00 N ATOM 0 H GLN A 63 -20.019 21.123 6.505 1.00 0.00 H new ATOM 0 HA GLN A 63 -21.230 20.778 4.612 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -22.611 18.890 4.857 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -21.463 18.773 6.176 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -23.113 18.900 7.733 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -23.771 20.354 7.010 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -25.875 19.717 7.353 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -26.669 18.461 6.398 1.00 0.00 H new ATOM 1107 N ALA A 64 -24.117 21.120 4.808 1.00 0.00 N ATOM 1108 CA ALA A 64 -25.329 21.875 4.537 1.00 0.00 C ATOM 1109 C ALA A 64 -25.145 22.679 3.248 1.00 0.00 C ATOM 1110 O ALA A 64 -24.559 23.760 3.265 1.00 0.00 O ATOM 1111 CB ALA A 64 -25.656 22.765 5.738 1.00 0.00 C ATOM 0 H ALA A 64 -24.182 20.122 4.605 1.00 0.00 H new ATOM 0 HA ALA A 64 -26.175 21.204 4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -26.565 23.331 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -25.805 22.144 6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -24.831 23.455 5.915 1.00 0.00 H new ATOM 1117 N ILE A 65 -25.658 22.120 2.162 1.00 0.00 N ATOM 1118 CA ILE A 65 -25.558 22.771 0.867 1.00 0.00 C ATOM 1119 C ILE A 65 -26.425 24.032 0.867 1.00 0.00 C ATOM 1120 O ILE A 65 -26.212 24.937 0.061 1.00 0.00 O ATOM 1121 CB ILE A 65 -25.902 21.790 -0.255 1.00 0.00 C ATOM 1122 CG1 ILE A 65 -27.416 21.613 -0.384 1.00 0.00 C ATOM 1123 CG2 ILE A 65 -25.184 20.454 -0.053 1.00 0.00 C ATOM 1124 CD1 ILE A 65 -27.978 20.814 0.794 1.00 0.00 C ATOM 0 H ILE A 65 -26.144 21.223 2.152 1.00 0.00 H new ATOM 0 HA ILE A 65 -24.532 23.088 0.679 1.00 0.00 H new ATOM 0 HB ILE A 65 -25.546 22.209 -1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -27.897 22.590 -0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -27.647 21.101 -1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -25.445 19.774 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -24.106 20.617 -0.049 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -25.488 20.018 0.898 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -29.056 20.703 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -27.513 19.829 0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -27.766 21.340 1.725 1.00 0.00 H new ATOM 1136 N HIS A 66 -27.384 24.053 1.781 1.00 0.00 N ATOM 1137 CA HIS A 66 -28.284 25.188 1.897 1.00 0.00 C ATOM 1138 C HIS A 66 -27.893 26.030 3.113 1.00 0.00 C ATOM 1139 O HIS A 66 -28.608 26.052 4.113 1.00 0.00 O ATOM 1140 CB HIS A 66 -29.741 24.724 1.941 1.00 0.00 C ATOM 1141 CG HIS A 66 -30.617 25.351 0.882 1.00 0.00 C ATOM 1142 ND1 HIS A 66 -30.248 25.424 -0.450 1.00 0.00 N ATOM 1143 CD2 HIS A 66 -31.848 25.931 0.974 1.00 0.00 C ATOM 1144 CE1 HIS A 66 -31.220 26.024 -1.120 1.00 0.00 C ATOM 1145 NE2 HIS A 66 -32.211 26.338 -0.237 1.00 0.00 N ATOM 0 H HIS A 66 -27.557 23.302 2.449 1.00 0.00 H new ATOM 0 HA HIS A 66 -28.192 25.821 1.015 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -29.770 23.640 1.827 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -30.155 24.953 2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -32.429 26.041 1.878 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -31.227 26.229 -2.180 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -33.086 26.808 -0.468 1.00 0.00 H new ATOM 1153 N GLN A 67 -26.758 26.703 2.986 1.00 0.00 N ATOM 1154 CA GLN A 67 -26.264 27.545 4.062 1.00 0.00 C ATOM 1155 C GLN A 67 -27.012 28.879 4.080 1.00 0.00 C ATOM 1156 O GLN A 67 -26.398 29.941 3.987 1.00 0.00 O ATOM 1157 CB GLN A 67 -24.755 27.764 3.938 1.00 0.00 C ATOM 1158 CG GLN A 67 -23.987 26.857 4.901 1.00 0.00 C ATOM 1159 CD GLN A 67 -22.820 27.607 5.548 1.00 0.00 C ATOM 1160 OE1 GLN A 67 -22.649 28.803 5.381 1.00 0.00 O ATOM 1161 NE2 GLN A 67 -22.030 26.839 6.293 1.00 0.00 N ATOM 0 H GLN A 67 -26.167 26.682 2.155 1.00 0.00 H new ATOM 0 HA GLN A 67 -26.448 27.036 5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -24.438 27.564 2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -24.517 28.807 4.148 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.661 26.489 5.675 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -23.611 25.986 4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -22.231 25.844 6.390 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -21.223 27.245 6.767 1.00 0.00 H new ATOM 1170 N LEU A 68 -28.328 28.781 4.198 1.00 0.00 N ATOM 1171 CA LEU A 68 -29.167 29.967 4.229 1.00 0.00 C ATOM 1172 C LEU A 68 -28.857 30.837 3.009 1.00 0.00 C ATOM 1173 O LEU A 68 -27.978 30.508 2.214 1.00 0.00 O ATOM 1174 CB LEU A 68 -29.011 30.700 5.563 1.00 0.00 C ATOM 1175 CG LEU A 68 -29.456 29.929 6.807 1.00 0.00 C ATOM 1176 CD1 LEU A 68 -28.562 30.259 8.005 1.00 0.00 C ATOM 1177 CD2 LEU A 68 -30.934 30.182 7.109 1.00 0.00 C ATOM 0 H LEU A 68 -28.834 27.899 4.273 1.00 0.00 H new ATOM 0 HA LEU A 68 -30.220 29.691 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -27.963 30.973 5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -29.579 31.629 5.513 1.00 0.00 H new ATOM 0 HG LEU A 68 -29.346 28.863 6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -28.900 29.698 8.876 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -27.532 29.988 7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -28.617 31.327 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -31.225 29.622 7.998 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -31.093 31.246 7.282 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -31.539 29.858 6.262 1.00 0.00 H new ATOM 1189 N ARG A 69 -29.596 31.931 2.899 1.00 0.00 N ATOM 1190 CA ARG A 69 -29.411 32.851 1.790 1.00 0.00 C ATOM 1191 C ARG A 69 -30.380 34.029 1.910 1.00 0.00 C ATOM 1192 O ARG A 69 -31.431 34.041 1.271 1.00 0.00 O ATOM 1193 CB ARG A 69 -29.637 32.149 0.449 1.00 0.00 C ATOM 1194 CG ARG A 69 -28.308 31.711 -0.171 1.00 0.00 C ATOM 1195 CD ARG A 69 -28.184 32.209 -1.612 1.00 0.00 C ATOM 1196 NE ARG A 69 -28.530 31.122 -2.554 1.00 0.00 N ATOM 1197 CZ ARG A 69 -28.090 31.056 -3.829 1.00 0.00 C ATOM 1198 NH1 ARG A 69 -27.281 32.017 -4.324 1.00 0.00 N ATOM 1199 NH2 ARG A 69 -28.462 30.039 -4.583 1.00 0.00 N ATOM 0 H ARG A 69 -30.324 32.201 3.560 1.00 0.00 H new ATOM 0 HA ARG A 69 -28.384 33.215 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -30.279 31.280 0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -30.157 32.820 -0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -27.480 32.098 0.424 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -28.234 30.624 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -28.845 33.062 -1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -27.167 32.555 -1.800 1.00 0.00 H new ATOM 0 HE ARG A 69 -29.139 30.375 -2.219 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -26.998 32.799 -3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -26.953 31.960 -5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -29.073 29.317 -4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -28.138 29.974 -5.548 1.00 0.00 H new ATOM 1212 N SER A 70 -29.992 34.992 2.734 1.00 0.00 N ATOM 1213 CA SER A 70 -30.813 36.172 2.946 1.00 0.00 C ATOM 1214 C SER A 70 -30.042 37.203 3.772 1.00 0.00 C ATOM 1215 O SER A 70 -29.533 36.889 4.847 1.00 0.00 O ATOM 1216 CB SER A 70 -32.127 35.810 3.640 1.00 0.00 C ATOM 1217 OG SER A 70 -33.256 36.355 2.962 1.00 0.00 O ATOM 0 H SER A 70 -29.120 34.979 3.263 1.00 0.00 H new ATOM 0 HA SER A 70 -31.054 36.602 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 70 -32.223 34.725 3.691 1.00 0.00 H new ATOM 0 HB3 SER A 70 -32.108 36.177 4.666 1.00 0.00 H new ATOM 0 HG SER A 70 -34.076 36.100 3.435 1.00 0.00 H new ATOM 1223 N VAL A 71 -29.981 38.415 3.239 1.00 0.00 N ATOM 1224 CA VAL A 71 -29.281 39.495 3.913 1.00 0.00 C ATOM 1225 C VAL A 71 -30.268 40.267 4.791 1.00 0.00 C ATOM 1226 O VAL A 71 -30.476 41.463 4.594 1.00 0.00 O ATOM 1227 CB VAL A 71 -28.574 40.382 2.887 1.00 0.00 C ATOM 1228 CG1 VAL A 71 -27.773 41.488 3.577 1.00 0.00 C ATOM 1229 CG2 VAL A 71 -27.678 39.549 1.968 1.00 0.00 C ATOM 0 H VAL A 71 -30.405 38.673 2.348 1.00 0.00 H new ATOM 0 HA VAL A 71 -28.506 39.097 4.567 1.00 0.00 H new ATOM 0 HB VAL A 71 -29.338 40.856 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -27.280 42.104 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -28.445 42.108 4.170 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -27.022 41.041 4.228 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -27.187 40.203 1.248 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -26.924 39.034 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -28.284 38.815 1.437 1.00 0.00 H new ATOM 1239 N LYS A 72 -30.851 39.551 5.742 1.00 0.00 N ATOM 1240 CA LYS A 72 -31.812 40.153 6.650 1.00 0.00 C ATOM 1241 C LYS A 72 -32.731 41.091 5.865 1.00 0.00 C ATOM 1242 O LYS A 72 -32.687 42.306 6.048 1.00 0.00 O ATOM 1243 CB LYS A 72 -31.092 40.833 7.817 1.00 0.00 C ATOM 1244 CG LYS A 72 -31.092 39.937 9.057 1.00 0.00 C ATOM 1245 CD LYS A 72 -29.822 40.146 9.884 1.00 0.00 C ATOM 1246 CE LYS A 72 -30.074 41.114 11.041 1.00 0.00 C ATOM 1247 NZ LYS A 72 -29.692 42.491 10.658 1.00 0.00 N ATOM 0 H LYS A 72 -30.676 38.559 5.903 1.00 0.00 H new ATOM 0 HA LYS A 72 -32.445 39.387 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -30.066 41.064 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -31.580 41.780 8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -31.968 40.155 9.668 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -31.166 38.892 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -29.477 39.189 10.275 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -29.028 40.535 9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -31.127 41.087 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -29.503 40.802 11.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -29.870 43.135 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -28.682 42.515 10.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -30.256 42.792 9.837 1.00 0.00 H new ATOM 1260 N MET A 73 -33.542 40.490 5.006 1.00 0.00 N ATOM 1261 CA MET A 73 -34.471 41.256 4.193 1.00 0.00 C ATOM 1262 C MET A 73 -35.874 41.244 4.803 1.00 0.00 C ATOM 1263 O MET A 73 -36.561 42.264 4.807 1.00 0.00 O ATOM 1264 CB MET A 73 -34.522 40.665 2.783 1.00 0.00 C ATOM 1265 CG MET A 73 -33.190 40.862 2.057 1.00 0.00 C ATOM 1266 SD MET A 73 -33.476 41.522 0.423 1.00 0.00 S ATOM 1267 CE MET A 73 -33.495 43.268 0.794 1.00 0.00 C ATOM 0 H MET A 73 -33.575 39.482 4.856 1.00 0.00 H new ATOM 0 HA MET A 73 -34.123 42.288 4.152 1.00 0.00 H new ATOM 0 HB2 MET A 73 -34.756 39.602 2.839 1.00 0.00 H new ATOM 0 HB3 MET A 73 -35.323 41.138 2.215 1.00 0.00 H new ATOM 0 HG2 MET A 73 -32.553 41.540 2.626 1.00 0.00 H new ATOM 0 HG3 MET A 73 -32.661 39.912 1.987 1.00 0.00 H new ATOM 0 HE1 MET A 73 -33.664 43.833 -0.123 1.00 0.00 H new ATOM 0 HE2 MET A 73 -34.294 43.480 1.504 1.00 0.00 H new ATOM 0 HE3 MET A 73 -32.538 43.558 1.228 1.00 0.00 H new ATOM 1277 N GLU A 74 -36.257 40.079 5.304 1.00 0.00 N ATOM 1278 CA GLU A 74 -37.565 39.921 5.915 1.00 0.00 C ATOM 1279 C GLU A 74 -38.667 40.201 4.891 1.00 0.00 C ATOM 1280 O GLU A 74 -38.676 41.255 4.257 1.00 0.00 O ATOM 1281 CB GLU A 74 -37.711 40.826 7.140 1.00 0.00 C ATOM 1282 CG GLU A 74 -37.500 40.037 8.433 1.00 0.00 C ATOM 1283 CD GLU A 74 -38.774 40.021 9.280 1.00 0.00 C ATOM 1284 OE1 GLU A 74 -38.822 40.659 10.342 1.00 0.00 O ATOM 1285 OE2 GLU A 74 -39.740 39.314 8.798 1.00 0.00 O ATOM 0 H GLU A 74 -35.684 39.235 5.299 1.00 0.00 H new ATOM 0 HA GLU A 74 -37.664 38.889 6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -36.987 41.639 7.084 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -38.702 41.281 7.145 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -37.204 39.015 8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -36.685 40.480 9.005 1.00 0.00 H new ATOM 1293 N GLN A 75 -39.569 39.240 4.762 1.00 0.00 N ATOM 1294 CA GLN A 75 -40.673 39.370 3.826 1.00 0.00 C ATOM 1295 C GLN A 75 -41.838 40.116 4.479 1.00 0.00 C ATOM 1296 O GLN A 75 -42.448 39.617 5.423 1.00 0.00 O ATOM 1297 CB GLN A 75 -41.119 38.001 3.310 1.00 0.00 C ATOM 1298 CG GLN A 75 -40.531 37.717 1.926 1.00 0.00 C ATOM 1299 CD GLN A 75 -40.750 36.257 1.526 1.00 0.00 C ATOM 1300 OE1 GLN A 75 -40.756 35.355 2.348 1.00 0.00 O ATOM 1301 NE2 GLN A 75 -40.928 36.074 0.221 1.00 0.00 N ATOM 0 H GLN A 75 -39.558 38.367 5.290 1.00 0.00 H new ATOM 0 HA GLN A 75 -40.330 39.950 2.969 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -40.805 37.225 4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -42.207 37.964 3.261 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -40.994 38.373 1.189 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -39.464 37.941 1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -40.911 36.873 -0.413 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -41.081 35.135 -0.146 1.00 0.00 H new ATOM 1310 N ARG A 76 -42.111 41.300 3.951 1.00 0.00 N ATOM 1311 CA ARG A 76 -43.192 42.120 4.471 1.00 0.00 C ATOM 1312 C ARG A 76 -42.962 42.423 5.953 1.00 0.00 C ATOM 1313 O ARG A 76 -43.003 41.521 6.788 1.00 0.00 O ATOM 1314 CB ARG A 76 -44.543 41.421 4.304 1.00 0.00 C ATOM 1315 CG ARG A 76 -44.895 41.255 2.824 1.00 0.00 C ATOM 1316 CD ARG A 76 -46.395 41.017 2.641 1.00 0.00 C ATOM 1317 NE ARG A 76 -46.662 39.571 2.476 1.00 0.00 N ATOM 1318 CZ ARG A 76 -47.789 39.066 1.931 1.00 0.00 C ATOM 1319 NH1 ARG A 76 -48.766 39.889 1.492 1.00 0.00 N ATOM 1320 NH2 ARG A 76 -47.922 37.756 1.833 1.00 0.00 N ATOM 0 H ARG A 76 -41.602 41.711 3.168 1.00 0.00 H new ATOM 0 HA ARG A 76 -43.205 43.051 3.904 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -44.513 40.444 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -45.320 41.999 4.804 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -44.595 42.146 2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -44.337 40.418 2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -46.940 41.400 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -46.754 41.563 1.769 1.00 0.00 H new ATOM 0 HE ARG A 76 -45.949 38.914 2.794 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -48.655 40.900 1.571 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -49.615 39.500 1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -47.179 37.142 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -48.767 37.358 1.424 1.00 0.00 H new ATOM 1333 N LYS A 77 -42.726 43.696 6.234 1.00 0.00 N ATOM 1334 CA LYS A 77 -42.490 44.130 7.601 1.00 0.00 C ATOM 1335 C LYS A 77 -43.831 44.413 8.280 1.00 0.00 C ATOM 1336 O LYS A 77 -44.344 43.578 9.023 1.00 0.00 O ATOM 1337 CB LYS A 77 -41.525 45.316 7.627 1.00 0.00 C ATOM 1338 CG LYS A 77 -40.229 44.986 6.883 1.00 0.00 C ATOM 1339 CD LYS A 77 -39.074 44.768 7.863 1.00 0.00 C ATOM 1340 CE LYS A 77 -38.556 46.102 8.405 1.00 0.00 C ATOM 1341 NZ LYS A 77 -38.608 46.115 9.884 1.00 0.00 N ATOM 0 H LYS A 77 -42.693 44.441 5.538 1.00 0.00 H new ATOM 0 HA LYS A 77 -42.003 43.340 8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -41.999 46.185 7.171 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -41.298 45.582 8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -40.371 44.091 6.278 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -39.982 45.798 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -39.407 44.140 8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -38.265 44.235 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -37.532 46.265 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -39.155 46.921 8.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -38.253 47.027 10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -39.590 45.981 10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -38.017 45.346 10.259 1.00 0.00 H new ATOM 1354 N LEU A 78 -44.362 45.595 8.001 1.00 0.00 N ATOM 1355 CA LEU A 78 -45.634 45.999 8.576 1.00 0.00 C ATOM 1356 C LEU A 78 -46.385 46.878 7.575 1.00 0.00 C ATOM 1357 O LEU A 78 -45.897 47.128 6.474 1.00 0.00 O ATOM 1358 CB LEU A 78 -45.419 46.663 9.938 1.00 0.00 C ATOM 1359 CG LEU A 78 -44.651 47.986 9.925 1.00 0.00 C ATOM 1360 CD1 LEU A 78 -45.146 48.918 11.032 1.00 0.00 C ATOM 1361 CD2 LEU A 78 -43.143 47.745 10.011 1.00 0.00 C ATOM 0 H LEU A 78 -43.934 46.286 7.384 1.00 0.00 H new ATOM 0 HA LEU A 78 -46.260 45.127 8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -46.394 46.836 10.394 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -44.886 45.963 10.581 1.00 0.00 H new ATOM 0 HG LEU A 78 -44.844 48.484 8.975 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -44.584 49.851 11.001 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -46.205 49.128 10.884 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -45.002 48.440 12.001 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -42.620 48.702 10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -42.911 47.216 10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -42.821 47.146 9.159 1.00 0.00 H new ATOM 1373 N ASN A 79 -47.561 47.323 7.992 1.00 0.00 N ATOM 1374 CA ASN A 79 -48.385 48.169 7.146 1.00 0.00 C ATOM 1375 C ASN A 79 -48.332 47.649 5.708 1.00 0.00 C ATOM 1376 O ASN A 79 -48.265 48.434 4.762 1.00 0.00 O ATOM 1377 CB ASN A 79 -47.874 49.612 7.146 1.00 0.00 C ATOM 1378 CG ASN A 79 -48.279 50.336 8.431 1.00 0.00 C ATOM 1379 OD1 ASN A 79 -47.372 50.264 9.401 1.00 0.00 O flip ATOM 1380 ND2 ASN A 79 -49.343 50.923 8.535 1.00 0.00 N flip ATOM 0 H ASN A 79 -47.963 47.113 8.906 1.00 0.00 H new ATOM 0 HA ASN A 79 -49.403 48.147 7.535 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -46.788 49.617 7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -48.275 50.144 6.283 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -49.995 50.940 7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -49.581 51.397 9.406 1.00 0.00 H new ATOM 1387 N ASP A 80 -48.365 46.330 5.588 1.00 0.00 N ATOM 1388 CA ASP A 80 -48.322 45.697 4.281 1.00 0.00 C ATOM 1389 C ASP A 80 -49.307 44.526 4.254 1.00 0.00 C ATOM 1390 O ASP A 80 -49.127 43.542 4.970 1.00 0.00 O ATOM 1391 CB ASP A 80 -46.927 45.147 3.981 1.00 0.00 C ATOM 1392 CG ASP A 80 -46.575 45.050 2.495 1.00 0.00 C ATOM 1393 OD1 ASP A 80 -47.392 44.608 1.673 1.00 0.00 O ATOM 1394 OD2 ASP A 80 -45.391 45.459 2.187 1.00 0.00 O ATOM 0 H ASP A 80 -48.421 45.683 6.374 1.00 0.00 H new ATOM 0 HA ASP A 80 -48.582 46.447 3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -46.189 45.781 4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -46.841 44.155 4.425 1.00 0.00 H new ATOM 1400 N GLN A 81 -50.328 44.671 3.422 1.00 0.00 N ATOM 1401 CA GLN A 81 -51.341 43.638 3.292 1.00 0.00 C ATOM 1402 C GLN A 81 -51.789 43.514 1.835 1.00 0.00 C ATOM 1403 O GLN A 81 -51.892 42.408 1.306 1.00 0.00 O ATOM 1404 CB GLN A 81 -52.532 43.921 4.210 1.00 0.00 C ATOM 1405 CG GLN A 81 -53.118 45.308 3.936 1.00 0.00 C ATOM 1406 CD GLN A 81 -54.255 45.625 4.910 1.00 0.00 C ATOM 1407 OE1 GLN A 81 -54.043 46.038 6.038 1.00 0.00 O ATOM 1408 NE2 GLN A 81 -55.469 45.410 4.413 1.00 0.00 N ATOM 0 H GLN A 81 -50.475 45.489 2.831 1.00 0.00 H new ATOM 0 HA GLN A 81 -50.905 42.687 3.599 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -53.300 43.162 4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -52.217 43.855 5.251 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -52.336 46.062 4.027 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -53.488 45.355 2.912 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -55.576 45.063 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -56.294 45.592 4.985 1.00 0.00 H new ATOM 1417 N ALA A 82 -52.044 44.663 1.227 1.00 0.00 N ATOM 1418 CA ALA A 82 -52.478 44.697 -0.159 1.00 0.00 C ATOM 1419 C ALA A 82 -51.479 45.511 -0.983 1.00 0.00 C ATOM 1420 O ALA A 82 -51.867 46.424 -1.710 1.00 0.00 O ATOM 1421 CB ALA A 82 -53.897 45.264 -0.236 1.00 0.00 C ATOM 0 H ALA A 82 -51.958 45.578 1.669 1.00 0.00 H new ATOM 0 HA ALA A 82 -52.506 43.691 -0.577 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -54.223 45.290 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -54.573 44.632 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -53.908 46.275 0.172 1.00 0.00 H new ATOM 1427 N ASN A 83 -50.211 45.151 -0.841 1.00 0.00 N ATOM 1428 CA ASN A 83 -49.153 45.837 -1.563 1.00 0.00 C ATOM 1429 C ASN A 83 -49.025 47.267 -1.034 1.00 0.00 C ATOM 1430 O ASN A 83 -48.150 47.556 -0.221 1.00 0.00 O ATOM 1431 CB ASN A 83 -49.466 45.912 -3.059 1.00 0.00 C ATOM 1432 CG ASN A 83 -48.528 45.009 -3.861 1.00 0.00 C ATOM 1433 OD1 ASN A 83 -47.404 45.363 -4.179 1.00 0.00 O ATOM 1434 ND2 ASN A 83 -49.050 43.825 -4.170 1.00 0.00 N ATOM 0 H ASN A 83 -49.893 44.393 -0.237 1.00 0.00 H new ATOM 0 HA ASN A 83 -48.228 45.280 -1.416 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -50.500 45.614 -3.233 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -49.368 46.941 -3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -48.503 43.150 -4.704 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -49.997 43.592 -3.873 1.00 0.00 H new ATOM 1441 N THR A 84 -49.912 48.125 -1.519 1.00 0.00 N ATOM 1442 CA THR A 84 -49.909 49.518 -1.105 1.00 0.00 C ATOM 1443 C THR A 84 -48.476 50.044 -1.014 1.00 0.00 C ATOM 1444 O THR A 84 -48.014 50.415 0.064 1.00 0.00 O ATOM 1445 CB THR A 84 -50.679 49.621 0.213 1.00 0.00 C ATOM 1446 OG1 THR A 84 -50.047 48.665 1.060 1.00 0.00 O ATOM 1447 CG2 THR A 84 -52.119 49.117 0.091 1.00 0.00 C ATOM 0 H THR A 84 -50.637 47.882 -2.194 1.00 0.00 H new ATOM 0 HA THR A 84 -50.408 50.150 -1.840 1.00 0.00 H new ATOM 0 HB THR A 84 -50.685 50.658 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 84 -49.074 48.749 0.979 1.00 0.00 H new ATOM 0 HG21 THR A 84 -52.621 49.212 1.054 1.00 0.00 H new ATOM 0 HG22 THR A 84 -52.650 49.709 -0.655 1.00 0.00 H new ATOM 0 HG23 THR A 84 -52.114 48.070 -0.213 1.00 0.00 H new ATOM 1455 N LEU A 85 -47.811 50.060 -2.161 1.00 0.00 N ATOM 1456 CA LEU A 85 -46.440 50.535 -2.224 1.00 0.00 C ATOM 1457 C LEU A 85 -45.967 50.522 -3.679 1.00 0.00 C ATOM 1458 O LEU A 85 -45.244 51.419 -4.109 1.00 0.00 O ATOM 1459 CB LEU A 85 -45.548 49.726 -1.280 1.00 0.00 C ATOM 1460 CG LEU A 85 -44.841 48.518 -1.897 1.00 0.00 C ATOM 1461 CD1 LEU A 85 -43.425 48.883 -2.348 1.00 0.00 C ATOM 1462 CD2 LEU A 85 -44.847 47.329 -0.934 1.00 0.00 C ATOM 0 H LEU A 85 -48.197 49.752 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 85 -46.378 51.566 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -44.791 50.393 -0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -46.157 49.378 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 85 -45.394 48.215 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -42.944 48.007 -2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -43.474 49.677 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -42.847 49.225 -1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -44.338 46.483 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -44.331 47.603 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -45.876 47.052 -0.704 1.00 0.00 H new ATOM 1474 N VAL A 86 -46.393 49.493 -4.397 1.00 0.00 N ATOM 1475 CA VAL A 86 -46.022 49.351 -5.795 1.00 0.00 C ATOM 1476 C VAL A 86 -47.284 49.389 -6.659 1.00 0.00 C ATOM 1477 O VAL A 86 -47.570 48.441 -7.389 1.00 0.00 O ATOM 1478 CB VAL A 86 -45.202 48.074 -5.991 1.00 0.00 C ATOM 1479 CG1 VAL A 86 -45.074 47.727 -7.475 1.00 0.00 C ATOM 1480 CG2 VAL A 86 -43.824 48.202 -5.337 1.00 0.00 C ATOM 0 H VAL A 86 -46.991 48.750 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 86 -45.388 50.180 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 86 -45.731 47.257 -5.501 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -44.487 46.815 -7.586 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -46.066 47.574 -7.900 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -44.578 48.544 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -43.261 47.281 -5.491 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -43.284 49.036 -5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -43.944 48.380 -4.268 1.00 0.00 H new ATOM 1490 N ASP A 87 -48.005 50.495 -6.548 1.00 0.00 N ATOM 1491 CA ASP A 87 -49.230 50.669 -7.311 1.00 0.00 C ATOM 1492 C ASP A 87 -49.844 52.030 -6.978 1.00 0.00 C ATOM 1493 O ASP A 87 -50.404 52.693 -7.850 1.00 0.00 O ATOM 1494 CB ASP A 87 -50.255 49.589 -6.960 1.00 0.00 C ATOM 1495 CG ASP A 87 -50.688 49.560 -5.493 1.00 0.00 C ATOM 1496 OD1 ASP A 87 -51.805 49.973 -5.148 1.00 0.00 O ATOM 1497 OD2 ASP A 87 -49.812 49.081 -4.676 1.00 0.00 O ATOM 0 H ASP A 87 -47.765 51.279 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 87 -48.981 50.599 -8.370 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -51.139 49.733 -7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -49.838 48.616 -7.219 1.00 0.00 H new ATOM 1503 N LEU A 88 -49.718 52.407 -5.714 1.00 0.00 N ATOM 1504 CA LEU A 88 -50.254 53.677 -5.255 1.00 0.00 C ATOM 1505 C LEU A 88 -49.326 54.808 -5.702 1.00 0.00 C ATOM 1506 O LEU A 88 -49.562 55.972 -5.382 1.00 0.00 O ATOM 1507 CB LEU A 88 -50.496 53.641 -3.744 1.00 0.00 C ATOM 1508 CG LEU A 88 -49.308 54.037 -2.865 1.00 0.00 C ATOM 1509 CD1 LEU A 88 -49.527 55.413 -2.233 1.00 0.00 C ATOM 1510 CD2 LEU A 88 -49.023 52.962 -1.813 1.00 0.00 C ATOM 0 H LEU A 88 -49.252 51.855 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 88 -51.228 53.866 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -51.330 54.304 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -50.805 52.633 -3.470 1.00 0.00 H new ATOM 0 HG LEU A 88 -48.424 54.111 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -48.668 55.670 -1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -49.644 56.160 -3.018 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -50.425 55.391 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -48.174 53.268 -1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -49.900 52.832 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -48.792 52.019 -2.309 1.00 0.00 H new ATOM 1522 N ALA A 89 -48.291 54.426 -6.436 1.00 0.00 N ATOM 1523 CA ALA A 89 -47.327 55.394 -6.931 1.00 0.00 C ATOM 1524 C ALA A 89 -47.905 56.101 -8.159 1.00 0.00 C ATOM 1525 O ALA A 89 -47.942 57.330 -8.212 1.00 0.00 O ATOM 1526 CB ALA A 89 -46.004 54.688 -7.234 1.00 0.00 C ATOM 0 H ALA A 89 -48.099 53.460 -6.700 1.00 0.00 H new ATOM 0 HA ALA A 89 -47.125 56.155 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -45.281 55.414 -7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -45.621 54.227 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -46.167 53.919 -7.989 1.00 0.00 H new ATOM 1532 N LYS A 90 -48.342 55.295 -9.115 1.00 0.00 N ATOM 1533 CA LYS A 90 -48.917 55.828 -10.339 1.00 0.00 C ATOM 1534 C LYS A 90 -47.823 56.529 -11.147 1.00 0.00 C ATOM 1535 O LYS A 90 -46.644 56.441 -10.809 1.00 0.00 O ATOM 1536 CB LYS A 90 -50.116 56.724 -10.022 1.00 0.00 C ATOM 1537 CG LYS A 90 -51.425 55.936 -10.103 1.00 0.00 C ATOM 1538 CD LYS A 90 -51.833 55.698 -11.558 1.00 0.00 C ATOM 1539 CE LYS A 90 -52.771 56.801 -12.052 1.00 0.00 C ATOM 1540 NZ LYS A 90 -52.437 57.182 -13.442 1.00 0.00 N ATOM 0 H LYS A 90 -48.310 54.277 -9.067 1.00 0.00 H new ATOM 0 HA LYS A 90 -49.307 55.021 -10.960 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -50.004 57.148 -9.024 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -50.146 57.559 -10.722 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -51.310 54.980 -9.593 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -52.214 56.481 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -50.944 55.663 -12.188 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -52.326 54.730 -11.648 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -53.804 56.457 -12.001 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -52.692 57.672 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -53.083 57.932 -13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -51.458 57.530 -13.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -52.535 56.353 -14.062 1.00 0.00 H new ATOM 1553 N THR A 91 -48.254 57.208 -12.200 1.00 0.00 N ATOM 1554 CA THR A 91 -47.326 57.923 -13.060 1.00 0.00 C ATOM 1555 C THR A 91 -46.686 59.088 -12.302 1.00 0.00 C ATOM 1556 O THR A 91 -45.736 59.701 -12.786 1.00 0.00 O ATOM 1557 CB THR A 91 -48.084 58.358 -14.316 1.00 0.00 C ATOM 1558 OG1 THR A 91 -47.066 58.850 -15.183 1.00 0.00 O ATOM 1559 CG2 THR A 91 -48.980 59.573 -14.067 1.00 0.00 C ATOM 0 H THR A 91 -49.233 57.278 -12.477 1.00 0.00 H new ATOM 0 HA THR A 91 -46.499 57.283 -13.368 1.00 0.00 H new ATOM 0 HB THR A 91 -48.690 57.528 -14.680 1.00 0.00 H new ATOM 0 HG1 THR A 91 -46.292 59.132 -14.652 1.00 0.00 H new ATOM 0 HG21 THR A 91 -49.495 59.841 -14.990 1.00 0.00 H new ATOM 0 HG22 THR A 91 -49.714 59.332 -13.298 1.00 0.00 H new ATOM 0 HG23 THR A 91 -48.370 60.413 -13.735 1.00 0.00 H new ATOM 1567 N GLN A 92 -47.233 59.358 -11.126 1.00 0.00 N ATOM 1568 CA GLN A 92 -46.728 60.439 -10.296 1.00 0.00 C ATOM 1569 C GLN A 92 -46.873 61.778 -11.022 1.00 0.00 C ATOM 1570 O GLN A 92 -45.912 62.281 -11.602 1.00 0.00 O ATOM 1571 CB GLN A 92 -45.273 60.188 -9.895 1.00 0.00 C ATOM 1572 CG GLN A 92 -45.157 58.954 -8.997 1.00 0.00 C ATOM 1573 CD GLN A 92 -43.762 58.858 -8.375 1.00 0.00 C ATOM 1574 OE1 GLN A 92 -42.846 58.274 -8.929 1.00 0.00 O ATOM 1575 NE2 GLN A 92 -43.654 59.462 -7.195 1.00 0.00 N ATOM 0 H GLN A 92 -48.021 58.847 -10.728 1.00 0.00 H new ATOM 0 HA GLN A 92 -47.321 60.477 -9.382 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -44.664 60.050 -10.789 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -44.880 61.060 -9.373 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -45.908 59.002 -8.209 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -45.362 58.056 -9.579 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -44.462 59.933 -6.787 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -42.764 59.454 -6.698 1.00 0.00 H new TER 1584 GLN A 92