USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -1.43! K(o=-1.4!,f=-0.0047) USER MOD Single : A 5 HIS : no HD1:sc= -0.957 K(o=-0.96,f=-0.15) USER MOD Single : A 6 TYR OH : rot 165:sc= -0.0482 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -3.26 K(o=-3.3,f=-4!) USER MOD Single : A 16 GLN : amide:sc=-0.00561 K(o=-0.0056,f=-1.9!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -162:sc= -0.0203 (180deg=-0.388) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00283 USER MOD Single : A 43 THR OG1 : rot 50:sc= -0.573 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= -0.0108 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -42:sc= 0.98 USER MOD Single : A 62 CYS SG : rot -121:sc= 1.11 USER MOD Single : A 64 LYS NZ :NH3+ -113:sc= -0.84 (180deg=-1.8) USER MOD Single : A 69 SER OG : rot 80:sc= 1.28 USER MOD Single : A 70 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-2.7!) USER MOD Single : A 74 HIS : no HD1:sc= -1.46 X(o=-1.5,f=-1.3) USER MOD Single : A 76 GLN : amide:sc= -4.41! C(o=-4.4!,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.863 -2.999 -12.634 1.00 0.00 N ATOM 2 CA MET A 1 4.275 -3.211 -13.057 1.00 0.00 C ATOM 3 C MET A 1 5.062 -1.919 -12.825 1.00 0.00 C ATOM 4 O MET A 1 6.108 -1.913 -12.205 1.00 0.00 O ATOM 5 CB MET A 1 4.311 -3.564 -14.549 1.00 0.00 C ATOM 6 CG MET A 1 5.737 -3.949 -14.959 1.00 0.00 C ATOM 7 SD MET A 1 6.200 -5.503 -14.155 1.00 0.00 S ATOM 8 CE MET A 1 5.664 -6.615 -15.479 1.00 0.00 C ATOM 0 H1 MET A 1 2.320 -3.872 -12.788 1.00 0.00 H new ATOM 0 H2 MET A 1 2.837 -2.748 -11.625 1.00 0.00 H new ATOM 0 H3 MET A 1 2.445 -2.228 -13.193 1.00 0.00 H new ATOM 0 HA MET A 1 4.716 -4.024 -12.480 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.629 -4.390 -14.753 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.970 -2.715 -15.141 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.799 -4.055 -16.042 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.433 -3.160 -14.676 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.860 -7.647 -15.189 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.596 -6.484 -15.654 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.213 -6.384 -16.392 1.00 0.00 H new ATOM 20 N ASN A 2 4.564 -0.823 -13.331 1.00 0.00 N ATOM 21 CA ASN A 2 5.275 0.481 -13.159 1.00 0.00 C ATOM 22 C ASN A 2 4.897 1.115 -11.818 1.00 0.00 C ATOM 23 O ASN A 2 3.774 1.021 -11.361 1.00 0.00 O ATOM 24 CB ASN A 2 4.883 1.427 -14.296 1.00 0.00 C ATOM 25 CG ASN A 2 5.415 0.885 -15.625 1.00 0.00 C ATOM 26 OD1 ASN A 2 4.939 1.258 -16.679 1.00 0.00 O ATOM 27 ND2 ASN A 2 6.388 0.014 -15.624 1.00 0.00 N ATOM 0 H ASN A 2 3.692 -0.773 -13.858 1.00 0.00 H new ATOM 0 HA ASN A 2 6.350 0.305 -13.179 1.00 0.00 H new ATOM 0 HB2 ASN A 2 3.799 1.527 -14.341 1.00 0.00 H new ATOM 0 HB3 ASN A 2 5.287 2.422 -14.110 1.00 0.00 H new ATOM 0 HD21 ASN A 2 6.746 -0.351 -16.506 1.00 0.00 H new ATOM 0 HD22 ASN A 2 6.790 -0.301 -14.741 1.00 0.00 H new ATOM 34 N VAL A 3 5.842 1.757 -11.185 1.00 0.00 N ATOM 35 CA VAL A 3 5.574 2.400 -9.864 1.00 0.00 C ATOM 36 C VAL A 3 5.053 3.823 -10.054 1.00 0.00 C ATOM 37 O VAL A 3 5.311 4.473 -11.050 1.00 0.00 O ATOM 38 CB VAL A 3 6.863 2.443 -9.042 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.328 1.017 -8.755 1.00 0.00 C ATOM 40 CG2 VAL A 3 7.958 3.186 -9.815 1.00 0.00 C ATOM 0 H VAL A 3 6.796 1.865 -11.529 1.00 0.00 H new ATOM 0 HA VAL A 3 4.819 1.813 -9.341 1.00 0.00 H new ATOM 0 HB VAL A 3 6.670 2.966 -8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.247 1.045 -8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.556 0.488 -8.195 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.513 0.498 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.871 3.210 -9.220 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.152 2.671 -10.756 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.631 4.205 -10.020 1.00 0.00 H new ATOM 50 N ALA A 4 4.323 4.308 -9.087 1.00 0.00 N ATOM 51 CA ALA A 4 3.762 5.691 -9.163 1.00 0.00 C ATOM 52 C ALA A 4 4.524 6.596 -8.196 1.00 0.00 C ATOM 53 O ALA A 4 4.977 6.169 -7.150 1.00 0.00 O ATOM 54 CB ALA A 4 2.287 5.655 -8.771 1.00 0.00 C ATOM 0 H ALA A 4 4.087 3.799 -8.235 1.00 0.00 H new ATOM 0 HA ALA A 4 3.861 6.076 -10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.872 6.661 -8.824 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.745 5.002 -9.455 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.190 5.276 -7.754 1.00 0.00 H new ATOM 60 N HIS A 5 4.680 7.842 -8.548 1.00 0.00 N ATOM 61 CA HIS A 5 5.428 8.796 -7.672 1.00 0.00 C ATOM 62 C HIS A 5 4.452 9.699 -6.921 1.00 0.00 C ATOM 63 O HIS A 5 3.487 10.196 -7.471 1.00 0.00 O ATOM 64 CB HIS A 5 6.348 9.655 -8.537 1.00 0.00 C ATOM 65 CG HIS A 5 7.424 8.789 -9.128 1.00 0.00 C ATOM 66 ND1 HIS A 5 8.395 9.293 -9.978 1.00 0.00 N ATOM 67 CD2 HIS A 5 7.698 7.450 -9.000 1.00 0.00 C ATOM 68 CE1 HIS A 5 9.200 8.272 -10.325 1.00 0.00 C ATOM 69 NE2 HIS A 5 8.820 7.126 -9.757 1.00 0.00 N ATOM 0 H HIS A 5 4.319 8.246 -9.412 1.00 0.00 H new ATOM 0 HA HIS A 5 6.016 8.231 -6.949 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.776 10.136 -9.330 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.793 10.449 -7.938 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.129 6.753 -8.402 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.051 8.368 -10.983 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.258 6.210 -9.856 1.00 0.00 H new ATOM 77 N TYR A 6 4.705 9.911 -5.660 1.00 0.00 N ATOM 78 CA TYR A 6 3.811 10.779 -4.842 1.00 0.00 C ATOM 79 C TYR A 6 4.630 11.472 -3.746 1.00 0.00 C ATOM 80 O TYR A 6 5.254 10.838 -2.914 1.00 0.00 O ATOM 81 CB TYR A 6 2.707 9.929 -4.214 1.00 0.00 C ATOM 82 CG TYR A 6 1.760 10.825 -3.451 1.00 0.00 C ATOM 83 CD1 TYR A 6 0.941 11.722 -4.146 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.700 10.763 -2.053 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.063 12.556 -3.445 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.821 11.596 -1.353 1.00 0.00 C ATOM 87 CZ TYR A 6 0.002 12.494 -2.049 1.00 0.00 C ATOM 88 OH TYR A 6 -0.863 13.316 -1.357 1.00 0.00 O ATOM 0 H TYR A 6 5.500 9.517 -5.156 1.00 0.00 H new ATOM 0 HA TYR A 6 3.356 11.538 -5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.166 9.385 -4.988 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.141 9.185 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.987 11.771 -5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.332 10.072 -1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.568 13.248 -3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.774 11.547 -0.275 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.960 12.990 -0.438 1.00 0.00 H new ATOM 98 N ARG A 7 4.625 12.777 -3.758 1.00 0.00 N ATOM 99 CA ARG A 7 5.390 13.566 -2.745 1.00 0.00 C ATOM 100 C ARG A 7 6.826 13.046 -2.635 1.00 0.00 C ATOM 101 O ARG A 7 7.455 13.118 -1.596 1.00 0.00 O ATOM 102 CB ARG A 7 4.685 13.487 -1.388 1.00 0.00 C ATOM 103 CG ARG A 7 3.372 14.275 -1.459 1.00 0.00 C ATOM 104 CD ARG A 7 2.644 14.180 -0.117 1.00 0.00 C ATOM 105 NE ARG A 7 1.366 14.946 -0.189 1.00 0.00 N ATOM 106 CZ ARG A 7 0.523 14.927 0.810 1.00 0.00 C ATOM 107 NH1 ARG A 7 0.791 14.239 1.887 1.00 0.00 N ATOM 108 NH2 ARG A 7 -0.590 15.601 0.730 1.00 0.00 N ATOM 0 H ARG A 7 4.115 13.341 -4.438 1.00 0.00 H new ATOM 0 HA ARG A 7 5.429 14.608 -3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.486 12.447 -1.127 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.326 13.894 -0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.575 15.318 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.741 13.880 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.442 13.137 0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.274 14.577 0.679 1.00 0.00 H new ATOM 0 HE ARG A 7 1.148 15.489 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.662 13.712 1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.129 14.228 2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.800 16.140 -0.110 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.251 15.589 1.507 1.00 0.00 H new ATOM 122 N GLY A 8 7.349 12.539 -3.715 1.00 0.00 N ATOM 123 CA GLY A 8 8.751 12.020 -3.714 1.00 0.00 C ATOM 124 C GLY A 8 8.751 10.530 -3.368 1.00 0.00 C ATOM 125 O GLY A 8 9.693 9.813 -3.647 1.00 0.00 O ATOM 0 H GLY A 8 6.863 12.460 -4.608 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.207 12.176 -4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.352 12.571 -2.991 1.00 0.00 H new ATOM 129 N TYR A 9 7.702 10.062 -2.757 1.00 0.00 N ATOM 130 CA TYR A 9 7.635 8.620 -2.379 1.00 0.00 C ATOM 131 C TYR A 9 7.220 7.775 -3.583 1.00 0.00 C ATOM 132 O TYR A 9 6.413 8.180 -4.400 1.00 0.00 O ATOM 133 CB TYR A 9 6.619 8.429 -1.253 1.00 0.00 C ATOM 134 CG TYR A 9 7.106 9.137 -0.010 1.00 0.00 C ATOM 135 CD1 TYR A 9 6.795 10.486 0.194 1.00 0.00 C ATOM 136 CD2 TYR A 9 7.865 8.442 0.937 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.247 11.141 1.347 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.317 9.097 2.090 1.00 0.00 C ATOM 139 CZ TYR A 9 8.007 10.446 2.294 1.00 0.00 C ATOM 140 OH TYR A 9 8.452 11.091 3.430 1.00 0.00 O ATOM 0 H TYR A 9 6.884 10.615 -2.501 1.00 0.00 H new ATOM 0 HA TYR A 9 8.621 8.301 -2.042 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.649 8.825 -1.553 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.481 7.367 -1.049 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.207 11.022 -0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.103 7.400 0.779 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.009 12.183 1.505 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.904 8.561 2.821 1.00 0.00 H new ATOM 0 HH TYR A 9 8.964 10.464 3.983 1.00 0.00 H new ATOM 150 N GLU A 10 7.766 6.593 -3.689 1.00 0.00 N ATOM 151 CA GLU A 10 7.418 5.691 -4.826 1.00 0.00 C ATOM 152 C GLU A 10 6.486 4.597 -4.324 1.00 0.00 C ATOM 153 O GLU A 10 6.653 4.063 -3.237 1.00 0.00 O ATOM 154 CB GLU A 10 8.692 5.063 -5.387 1.00 0.00 C ATOM 155 CG GLU A 10 9.521 6.144 -6.076 1.00 0.00 C ATOM 156 CD GLU A 10 10.837 5.546 -6.577 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.062 4.371 -6.337 1.00 0.00 O ATOM 158 OE2 GLU A 10 11.599 6.275 -7.192 1.00 0.00 O ATOM 0 H GLU A 10 8.444 6.210 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 10 6.924 6.262 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.268 4.601 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.441 4.273 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.962 6.567 -6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.722 6.959 -5.381 1.00 0.00 H new ATOM 165 N ILE A 11 5.495 4.275 -5.109 1.00 0.00 N ATOM 166 CA ILE A 11 4.503 3.235 -4.716 1.00 0.00 C ATOM 167 C ILE A 11 4.597 2.040 -5.655 1.00 0.00 C ATOM 168 O ILE A 11 4.721 2.181 -6.858 1.00 0.00 O ATOM 169 CB ILE A 11 3.098 3.827 -4.794 1.00 0.00 C ATOM 170 CG1 ILE A 11 2.980 4.963 -3.776 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.068 2.740 -4.475 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.681 5.736 -4.005 1.00 0.00 C ATOM 0 H ILE A 11 5.328 4.697 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 11 4.714 2.906 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 11 2.913 4.212 -5.797 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.999 4.559 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.834 5.635 -3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.065 3.162 -4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.161 1.928 -5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.245 2.355 -3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.605 6.543 -3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.679 6.155 -5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.832 5.062 -3.891 1.00 0.00 H new ATOM 184 N GLU A 12 4.537 0.862 -5.101 1.00 0.00 N ATOM 185 CA GLU A 12 4.610 -0.381 -5.920 1.00 0.00 C ATOM 186 C GLU A 12 3.304 -1.166 -5.732 1.00 0.00 C ATOM 187 O GLU A 12 3.191 -1.982 -4.837 1.00 0.00 O ATOM 188 CB GLU A 12 5.792 -1.232 -5.446 1.00 0.00 C ATOM 189 CG GLU A 12 6.126 -2.272 -6.519 1.00 0.00 C ATOM 190 CD GLU A 12 7.348 -3.080 -6.092 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.256 -3.777 -5.098 1.00 0.00 O ATOM 192 OE2 GLU A 12 8.355 -2.991 -6.774 1.00 0.00 O ATOM 0 H GLU A 12 4.439 0.705 -4.098 1.00 0.00 H new ATOM 0 HA GLU A 12 4.747 -0.131 -6.972 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.658 -0.598 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.546 -1.727 -4.507 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.275 -2.936 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.320 -1.777 -7.471 1.00 0.00 H new ATOM 199 N PRO A 13 2.320 -0.908 -6.560 1.00 0.00 N ATOM 200 CA PRO A 13 0.994 -1.587 -6.481 1.00 0.00 C ATOM 201 C PRO A 13 1.105 -3.115 -6.490 1.00 0.00 C ATOM 202 O PRO A 13 1.970 -3.692 -7.119 1.00 0.00 O ATOM 203 CB PRO A 13 0.250 -1.088 -7.734 1.00 0.00 C ATOM 204 CG PRO A 13 0.907 0.207 -8.086 1.00 0.00 C ATOM 205 CD PRO A 13 2.364 0.072 -7.656 1.00 0.00 C ATOM 0 HA PRO A 13 0.482 -1.353 -5.547 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.329 -1.805 -8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.812 -0.949 -7.533 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.833 0.404 -9.156 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.425 1.040 -7.575 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.992 -0.274 -8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.772 1.026 -7.323 1.00 0.00 H new ATOM 213 N GLY A 14 0.227 -3.768 -5.783 1.00 0.00 N ATOM 214 CA GLY A 14 0.265 -5.256 -5.732 1.00 0.00 C ATOM 215 C GLY A 14 -0.918 -5.782 -4.916 1.00 0.00 C ATOM 216 O GLY A 14 -1.808 -5.044 -4.535 1.00 0.00 O ATOM 0 H GLY A 14 -0.517 -3.335 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.230 -5.664 -6.742 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.202 -5.589 -5.286 1.00 0.00 H new ATOM 220 N HIS A 15 -0.929 -7.059 -4.647 1.00 0.00 N ATOM 221 CA HIS A 15 -2.046 -7.659 -3.857 1.00 0.00 C ATOM 222 C HIS A 15 -1.527 -8.850 -3.049 1.00 0.00 C ATOM 223 O HIS A 15 -0.715 -9.628 -3.514 1.00 0.00 O ATOM 224 CB HIS A 15 -3.149 -8.137 -4.806 1.00 0.00 C ATOM 225 CG HIS A 15 -2.576 -9.095 -5.821 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.782 -8.670 -6.877 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.692 -10.457 -5.964 1.00 0.00 C ATOM 228 CE1 HIS A 15 -1.455 -9.757 -7.600 1.00 0.00 C ATOM 229 NE2 HIS A 15 -1.982 -10.871 -7.088 1.00 0.00 N ATOM 0 H HIS A 15 -0.208 -7.718 -4.942 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.447 -6.906 -3.179 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.941 -8.626 -4.239 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.599 -7.284 -5.313 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.249 -11.107 -5.305 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.840 -9.731 -8.488 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.885 -11.822 -7.444 1.00 0.00 H new ATOM 237 N GLN A 16 -1.999 -8.996 -1.845 1.00 0.00 N ATOM 238 CA GLN A 16 -1.554 -10.133 -0.991 1.00 0.00 C ATOM 239 C GLN A 16 -2.435 -10.210 0.257 1.00 0.00 C ATOM 240 O GLN A 16 -3.026 -9.231 0.680 1.00 0.00 O ATOM 241 CB GLN A 16 -0.098 -9.934 -0.574 1.00 0.00 C ATOM 242 CG GLN A 16 0.338 -11.107 0.306 1.00 0.00 C ATOM 243 CD GLN A 16 1.842 -11.025 0.559 1.00 0.00 C ATOM 244 OE1 GLN A 16 2.552 -10.329 -0.140 1.00 0.00 O ATOM 245 NE2 GLN A 16 2.361 -11.712 1.539 1.00 0.00 N ATOM 0 H GLN A 16 -2.679 -8.372 -1.411 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.640 -11.060 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.540 -9.869 -1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 16 0.012 -8.996 -0.031 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.202 -11.085 1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.092 -12.051 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.764 -12.296 2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.364 -11.665 1.719 1.00 0.00 H new ATOM 254 N TYR A 17 -2.525 -11.372 0.849 1.00 0.00 N ATOM 255 CA TYR A 17 -3.365 -11.547 2.075 1.00 0.00 C ATOM 256 C TYR A 17 -2.476 -11.655 3.310 1.00 0.00 C ATOM 257 O TYR A 17 -1.456 -12.318 3.311 1.00 0.00 O ATOM 258 CB TYR A 17 -4.207 -12.817 1.939 1.00 0.00 C ATOM 259 CG TYR A 17 -3.314 -14.038 1.997 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.705 -14.520 0.832 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.102 -14.690 3.219 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.883 -15.651 0.889 1.00 0.00 C ATOM 263 CE2 TYR A 17 -2.280 -15.822 3.275 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.671 -16.303 2.110 1.00 0.00 C ATOM 265 OH TYR A 17 -0.861 -17.421 2.164 1.00 0.00 O ATOM 0 H TYR A 17 -2.048 -12.217 0.534 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.020 -10.682 2.184 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.948 -12.860 2.738 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.755 -12.801 0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.870 -14.019 -0.110 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.573 -14.319 4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.412 -16.021 -0.009 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.116 -16.324 4.217 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.819 -17.750 3.086 1.00 0.00 H new ATOM 275 N ARG A 18 -2.874 -11.005 4.363 1.00 0.00 N ATOM 276 CA ARG A 18 -2.085 -11.043 5.634 1.00 0.00 C ATOM 277 C ARG A 18 -2.767 -11.979 6.633 1.00 0.00 C ATOM 278 O ARG A 18 -3.980 -12.024 6.734 1.00 0.00 O ATOM 279 CB ARG A 18 -1.993 -9.635 6.224 1.00 0.00 C ATOM 280 CG ARG A 18 -1.195 -8.737 5.275 1.00 0.00 C ATOM 281 CD ARG A 18 -1.151 -7.310 5.828 1.00 0.00 C ATOM 282 NE ARG A 18 -0.368 -7.299 7.094 1.00 0.00 N ATOM 283 CZ ARG A 18 -0.237 -6.198 7.788 1.00 0.00 C ATOM 284 NH1 ARG A 18 -0.802 -5.090 7.386 1.00 0.00 N ATOM 285 NH2 ARG A 18 0.466 -6.209 8.885 1.00 0.00 N ATOM 0 H ARG A 18 -3.722 -10.440 4.404 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.080 -11.411 5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.992 -9.226 6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.511 -9.669 7.201 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.182 -9.123 5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -1.653 -8.740 4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.696 -6.639 5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.162 -6.946 6.009 1.00 0.00 H new ATOM 0 HE ARG A 18 0.071 -8.159 7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.350 -5.080 6.526 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.695 -4.236 7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.910 -7.072 9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.572 -5.354 9.431 1.00 0.00 H new ATOM 299 N ASP A 19 -1.994 -12.729 7.368 1.00 0.00 N ATOM 300 CA ASP A 19 -2.582 -13.667 8.366 1.00 0.00 C ATOM 301 C ASP A 19 -3.222 -12.864 9.501 1.00 0.00 C ATOM 302 O ASP A 19 -3.904 -13.396 10.356 1.00 0.00 O ATOM 303 CB ASP A 19 -1.473 -14.558 8.932 1.00 0.00 C ATOM 304 CG ASP A 19 -0.338 -13.690 9.490 1.00 0.00 C ATOM 305 OD1 ASP A 19 -0.405 -12.481 9.330 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.580 -14.249 10.069 1.00 0.00 O ATOM 0 H ASP A 19 -0.975 -12.733 7.320 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.341 -14.286 7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.874 -15.197 9.719 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.089 -15.216 8.152 1.00 0.00 H new ATOM 311 N ASP A 20 -3.011 -11.579 9.504 1.00 0.00 N ATOM 312 CA ASP A 20 -3.609 -10.722 10.570 1.00 0.00 C ATOM 313 C ASP A 20 -5.135 -10.764 10.453 1.00 0.00 C ATOM 314 O ASP A 20 -5.846 -10.859 11.434 1.00 0.00 O ATOM 315 CB ASP A 20 -3.121 -9.283 10.380 1.00 0.00 C ATOM 316 CG ASP A 20 -3.734 -8.383 11.455 1.00 0.00 C ATOM 317 OD1 ASP A 20 -4.572 -8.866 12.195 1.00 0.00 O ATOM 318 OD2 ASP A 20 -3.349 -7.227 11.517 1.00 0.00 O ATOM 0 H ASP A 20 -2.449 -11.081 8.813 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.311 -11.086 11.553 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.033 -9.247 10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.398 -8.923 9.389 1.00 0.00 H new ATOM 323 N ILE A 21 -5.635 -10.693 9.250 1.00 0.00 N ATOM 324 CA ILE A 21 -7.115 -10.718 9.016 1.00 0.00 C ATOM 325 C ILE A 21 -7.441 -11.886 8.085 1.00 0.00 C ATOM 326 O ILE A 21 -8.537 -11.999 7.570 1.00 0.00 O ATOM 327 CB ILE A 21 -7.567 -9.373 8.388 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.398 -8.688 7.645 1.00 0.00 C ATOM 329 CG2 ILE A 21 -8.076 -8.436 9.488 1.00 0.00 C ATOM 330 CD1 ILE A 21 -6.053 -9.474 6.378 1.00 0.00 C ATOM 0 H ILE A 21 -5.074 -10.617 8.402 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.646 -10.849 9.959 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.363 -9.582 7.674 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.670 -7.665 7.386 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.526 -8.630 8.296 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.393 -7.492 9.044 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.921 -8.899 9.998 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.277 -8.249 10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.228 -8.985 5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.761 -10.489 6.648 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.924 -9.509 5.723 1.00 0.00 H new ATOM 342 N ARG A 22 -6.488 -12.759 7.888 1.00 0.00 N ATOM 343 CA ARG A 22 -6.697 -13.947 7.002 1.00 0.00 C ATOM 344 C ARG A 22 -7.537 -13.553 5.782 1.00 0.00 C ATOM 345 O ARG A 22 -8.335 -14.323 5.281 1.00 0.00 O ATOM 346 CB ARG A 22 -7.396 -15.057 7.794 1.00 0.00 C ATOM 347 CG ARG A 22 -6.464 -15.535 8.912 1.00 0.00 C ATOM 348 CD ARG A 22 -7.149 -16.638 9.726 1.00 0.00 C ATOM 349 NE ARG A 22 -8.292 -16.055 10.486 1.00 0.00 N ATOM 350 CZ ARG A 22 -9.177 -16.831 11.060 1.00 0.00 C ATOM 351 NH1 ARG A 22 -9.083 -18.129 10.958 1.00 0.00 N ATOM 352 NH2 ARG A 22 -10.158 -16.301 11.732 1.00 0.00 N ATOM 0 H ARG A 22 -5.561 -12.700 8.308 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.731 -14.312 6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.331 -14.687 8.215 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.650 -15.887 7.135 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.533 -15.910 8.486 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.203 -14.700 9.562 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.503 -17.428 9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.436 -17.094 10.413 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.385 -15.042 10.559 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.317 -18.545 10.429 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.776 -18.727 11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.234 -15.287 11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.851 -16.900 12.181 1.00 0.00 H new ATOM 366 N LYS A 23 -7.359 -12.349 5.303 1.00 0.00 N ATOM 367 CA LYS A 23 -8.140 -11.879 4.114 1.00 0.00 C ATOM 368 C LYS A 23 -7.238 -11.097 3.161 1.00 0.00 C ATOM 369 O LYS A 23 -6.104 -10.755 3.473 1.00 0.00 O ATOM 370 CB LYS A 23 -9.307 -10.988 4.572 1.00 0.00 C ATOM 371 CG LYS A 23 -10.425 -11.838 5.188 1.00 0.00 C ATOM 372 CD LYS A 23 -11.305 -12.432 4.081 1.00 0.00 C ATOM 373 CE LYS A 23 -12.444 -13.222 4.712 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.290 -13.803 3.633 1.00 0.00 N ATOM 0 H LYS A 23 -6.704 -11.666 5.684 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.535 -12.750 3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.952 -10.261 5.302 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.696 -10.425 3.724 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.995 -12.638 5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.031 -11.227 5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.704 -11.636 3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.711 -13.080 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -12.046 -14.015 5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.043 -12.573 5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.070 -14.344 4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.679 -13.037 3.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.713 -14.434 3.041 1.00 0.00 H new ATOM 388 N TYR A 24 -7.748 -10.827 1.989 1.00 0.00 N ATOM 389 CA TYR A 24 -6.965 -10.083 0.966 1.00 0.00 C ATOM 390 C TYR A 24 -7.112 -8.585 1.190 1.00 0.00 C ATOM 391 O TYR A 24 -8.197 -8.075 1.412 1.00 0.00 O ATOM 392 CB TYR A 24 -7.487 -10.436 -0.427 1.00 0.00 C ATOM 393 CG TYR A 24 -7.158 -11.875 -0.737 1.00 0.00 C ATOM 394 CD1 TYR A 24 -5.942 -12.195 -1.350 1.00 0.00 C ATOM 395 CD2 TYR A 24 -8.068 -12.887 -0.410 1.00 0.00 C ATOM 396 CE1 TYR A 24 -5.633 -13.531 -1.635 1.00 0.00 C ATOM 397 CE2 TYR A 24 -7.759 -14.223 -0.696 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.541 -14.544 -1.308 1.00 0.00 C ATOM 399 OH TYR A 24 -6.237 -15.861 -1.589 1.00 0.00 O ATOM 0 H TYR A 24 -8.687 -11.095 1.695 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.914 -10.359 1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.565 -10.280 -0.474 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.037 -9.780 -1.173 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -5.242 -11.413 -1.603 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -9.007 -12.638 0.062 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.694 -13.779 -2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.460 -15.005 -0.445 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.974 -16.436 -1.297 1.00 0.00 H new ATOM 409 N VAL A 25 -6.026 -7.867 1.120 1.00 0.00 N ATOM 410 CA VAL A 25 -6.095 -6.391 1.317 1.00 0.00 C ATOM 411 C VAL A 25 -5.026 -5.707 0.449 1.00 0.00 C ATOM 412 O VAL A 25 -3.968 -6.259 0.221 1.00 0.00 O ATOM 413 CB VAL A 25 -5.850 -6.052 2.790 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.030 -6.540 3.624 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.568 -6.733 3.279 1.00 0.00 C ATOM 0 H VAL A 25 -5.094 -8.238 0.935 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.084 -6.036 1.026 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.744 -4.972 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.858 -6.300 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.943 -6.050 3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.134 -7.619 3.511 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.402 -6.486 4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.666 -7.813 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.722 -6.385 2.686 1.00 0.00 H new ATOM 425 N PRO A 26 -5.297 -4.515 -0.031 1.00 0.00 N ATOM 426 CA PRO A 26 -4.342 -3.755 -0.877 1.00 0.00 C ATOM 427 C PRO A 26 -2.900 -3.936 -0.402 1.00 0.00 C ATOM 428 O PRO A 26 -2.509 -3.445 0.638 1.00 0.00 O ATOM 429 CB PRO A 26 -4.801 -2.297 -0.714 1.00 0.00 C ATOM 430 CG PRO A 26 -6.271 -2.372 -0.406 1.00 0.00 C ATOM 431 CD PRO A 26 -6.542 -3.765 0.181 1.00 0.00 C ATOM 0 HA PRO A 26 -4.344 -4.090 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.256 -1.801 0.090 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.619 -1.724 -1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.556 -1.594 0.302 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.862 -2.213 -1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -6.791 -3.705 1.240 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.383 -4.247 -0.318 1.00 0.00 H new ATOM 439 N TYR A 27 -2.107 -4.645 -1.152 1.00 0.00 N ATOM 440 CA TYR A 27 -0.688 -4.875 -0.745 1.00 0.00 C ATOM 441 C TYR A 27 0.244 -4.088 -1.656 1.00 0.00 C ATOM 442 O TYR A 27 0.378 -4.376 -2.832 1.00 0.00 O ATOM 443 CB TYR A 27 -0.377 -6.366 -0.854 1.00 0.00 C ATOM 444 CG TYR A 27 0.990 -6.635 -0.277 1.00 0.00 C ATOM 445 CD1 TYR A 27 1.142 -6.787 1.105 1.00 0.00 C ATOM 446 CD2 TYR A 27 2.102 -6.730 -1.120 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.406 -7.037 1.647 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.367 -6.980 -0.579 1.00 0.00 C ATOM 449 CZ TYR A 27 3.520 -7.134 0.804 1.00 0.00 C ATOM 450 OH TYR A 27 4.769 -7.378 1.338 1.00 0.00 O ATOM 0 H TYR A 27 -2.378 -5.079 -2.034 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.542 -4.542 0.282 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.130 -6.946 -0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.412 -6.681 -1.897 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.282 -6.711 1.754 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.984 -6.610 -2.187 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.523 -7.155 2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.227 -7.054 -1.229 1.00 0.00 H new ATOM 0 HH TYR A 27 5.431 -7.417 0.617 1.00 0.00 H new ATOM 460 N ALA A 28 0.894 -3.092 -1.119 1.00 0.00 N ATOM 461 CA ALA A 28 1.834 -2.272 -1.948 1.00 0.00 C ATOM 462 C ALA A 28 3.080 -1.939 -1.125 1.00 0.00 C ATOM 463 O ALA A 28 3.016 -1.744 0.074 1.00 0.00 O ATOM 464 CB ALA A 28 1.140 -0.977 -2.385 1.00 0.00 C ATOM 0 H ALA A 28 0.817 -2.808 -0.142 1.00 0.00 H new ATOM 0 HA ALA A 28 2.126 -2.837 -2.833 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.826 -0.382 -2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.256 -1.219 -2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.844 -0.408 -1.504 1.00 0.00 H new ATOM 470 N LEU A 29 4.215 -1.874 -1.768 1.00 0.00 N ATOM 471 CA LEU A 29 5.485 -1.560 -1.046 1.00 0.00 C ATOM 472 C LEU A 29 5.861 -0.107 -1.313 1.00 0.00 C ATOM 473 O LEU A 29 5.974 0.323 -2.448 1.00 0.00 O ATOM 474 CB LEU A 29 6.594 -2.481 -1.565 1.00 0.00 C ATOM 475 CG LEU A 29 6.258 -3.939 -1.220 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.129 -4.879 -2.058 1.00 0.00 C ATOM 477 CD2 LEU A 29 6.522 -4.208 0.270 1.00 0.00 C ATOM 0 H LEU A 29 4.319 -2.026 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 29 5.355 -1.712 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.699 -2.367 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.549 -2.203 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 29 5.204 -4.115 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.889 -5.913 -1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.938 -4.704 -3.117 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.181 -4.689 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 29 6.280 -5.245 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.573 -4.023 0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.901 -3.547 0.875 1.00 0.00 H new ATOM 489 N ILE A 30 6.045 0.652 -0.268 1.00 0.00 N ATOM 490 CA ILE A 30 6.403 2.096 -0.413 1.00 0.00 C ATOM 491 C ILE A 30 7.826 2.328 0.085 1.00 0.00 C ATOM 492 O ILE A 30 8.212 1.867 1.145 1.00 0.00 O ATOM 493 CB ILE A 30 5.443 2.950 0.412 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.024 2.795 -0.139 1.00 0.00 C ATOM 495 CG2 ILE A 30 5.871 4.417 0.322 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.023 3.462 0.809 1.00 0.00 C ATOM 0 H ILE A 30 5.962 0.330 0.696 1.00 0.00 H new ATOM 0 HA ILE A 30 6.332 2.374 -1.465 1.00 0.00 H new ATOM 0 HB ILE A 30 5.464 2.627 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.957 3.246 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.782 1.738 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.189 5.032 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.883 4.525 0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.846 4.740 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.014 3.349 0.412 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.082 2.991 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.260 4.522 0.901 1.00 0.00 H new ATOM 508 N ARG A 31 8.611 3.041 -0.676 1.00 0.00 N ATOM 509 CA ARG A 31 10.024 3.317 -0.269 1.00 0.00 C ATOM 510 C ARG A 31 10.341 4.796 -0.507 1.00 0.00 C ATOM 511 O ARG A 31 9.961 5.378 -1.509 1.00 0.00 O ATOM 512 CB ARG A 31 10.974 2.446 -1.099 1.00 0.00 C ATOM 513 CG ARG A 31 10.536 2.441 -2.582 1.00 0.00 C ATOM 514 CD ARG A 31 9.656 1.217 -2.876 1.00 0.00 C ATOM 515 NE ARG A 31 10.467 -0.019 -2.708 1.00 0.00 N ATOM 516 CZ ARG A 31 9.950 -1.190 -2.963 1.00 0.00 C ATOM 517 NH1 ARG A 31 8.718 -1.285 -3.382 1.00 0.00 N ATOM 518 NH2 ARG A 31 10.666 -2.265 -2.798 1.00 0.00 N ATOM 0 H ARG A 31 8.334 3.448 -1.569 1.00 0.00 H new ATOM 0 HA ARG A 31 10.152 3.084 0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.993 2.824 -1.015 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.979 1.428 -0.710 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.987 3.355 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 31 11.414 2.429 -3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 31 8.800 1.199 -2.202 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.262 1.273 -3.891 1.00 0.00 H new ATOM 0 HE ARG A 31 11.434 0.049 -2.391 1.00 0.00 H new ATOM 0 HH11 ARG A 31 8.157 -0.443 -3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.316 -2.201 -3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.629 -2.191 -2.470 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.264 -3.181 -2.997 1.00 0.00 H new ATOM 532 N LYS A 32 11.031 5.402 0.419 1.00 0.00 N ATOM 533 CA LYS A 32 11.383 6.844 0.289 1.00 0.00 C ATOM 534 C LYS A 32 12.637 7.008 -0.573 1.00 0.00 C ATOM 535 O LYS A 32 13.617 6.302 -0.418 1.00 0.00 O ATOM 536 CB LYS A 32 11.635 7.423 1.680 1.00 0.00 C ATOM 537 CG LYS A 32 11.898 8.925 1.571 1.00 0.00 C ATOM 538 CD LYS A 32 12.062 9.524 2.970 1.00 0.00 C ATOM 539 CE LYS A 32 12.291 11.032 2.855 1.00 0.00 C ATOM 540 NZ LYS A 32 13.593 11.287 2.176 1.00 0.00 N ATOM 0 H LYS A 32 11.370 4.954 1.270 1.00 0.00 H new ATOM 0 HA LYS A 32 10.560 7.374 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.774 7.240 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.488 6.927 2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.797 9.105 0.981 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.073 9.412 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.173 9.325 3.569 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.903 9.056 3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.479 11.492 2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.290 11.487 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.896 12.264 2.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.309 10.627 2.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.483 11.148 1.151 1.00 0.00 H new ATOM 554 N VAL A 33 12.602 7.937 -1.483 1.00 0.00 N ATOM 555 CA VAL A 33 13.771 8.171 -2.377 1.00 0.00 C ATOM 556 C VAL A 33 14.928 8.792 -1.594 1.00 0.00 C ATOM 557 O VAL A 33 14.755 9.717 -0.822 1.00 0.00 O ATOM 558 CB VAL A 33 13.362 9.110 -3.510 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.586 9.455 -4.362 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.313 8.418 -4.382 1.00 0.00 C ATOM 0 H VAL A 33 11.805 8.552 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 33 14.098 7.215 -2.787 1.00 0.00 H new ATOM 0 HB VAL A 33 12.947 10.026 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.290 10.125 -5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.336 9.945 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.005 8.541 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.017 9.084 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.733 7.503 -4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.440 8.174 -3.776 1.00 0.00 H new ATOM 570 N GLY A 34 16.108 8.278 -1.795 1.00 0.00 N ATOM 571 CA GLY A 34 17.313 8.799 -1.080 1.00 0.00 C ATOM 572 C GLY A 34 17.774 7.750 -0.067 1.00 0.00 C ATOM 573 O GLY A 34 18.872 7.803 0.453 1.00 0.00 O ATOM 0 H GLY A 34 16.295 7.506 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 34 18.111 9.014 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.077 9.735 -0.574 1.00 0.00 H new ATOM 577 N VAL A 35 16.940 6.784 0.209 1.00 0.00 N ATOM 578 CA VAL A 35 17.316 5.712 1.173 1.00 0.00 C ATOM 579 C VAL A 35 16.542 4.426 0.843 1.00 0.00 C ATOM 580 O VAL A 35 15.899 3.850 1.698 1.00 0.00 O ATOM 581 CB VAL A 35 16.984 6.166 2.603 1.00 0.00 C ATOM 582 CG1 VAL A 35 17.941 7.284 3.025 1.00 0.00 C ATOM 583 CG2 VAL A 35 15.544 6.690 2.659 1.00 0.00 C ATOM 0 H VAL A 35 16.008 6.692 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 35 18.386 5.516 1.097 1.00 0.00 H new ATOM 0 HB VAL A 35 17.091 5.317 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.703 7.603 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.967 6.917 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 35 17.836 8.129 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.313 7.011 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 35 15.438 7.535 1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.857 5.897 2.364 1.00 0.00 H new ATOM 593 N PRO A 36 16.619 3.970 -0.388 1.00 0.00 N ATOM 594 CA PRO A 36 15.927 2.720 -0.830 1.00 0.00 C ATOM 595 C PRO A 36 16.609 1.476 -0.248 1.00 0.00 C ATOM 596 O PRO A 36 16.098 0.374 -0.319 1.00 0.00 O ATOM 597 CB PRO A 36 16.057 2.741 -2.362 1.00 0.00 C ATOM 598 CG PRO A 36 17.261 3.591 -2.644 1.00 0.00 C ATOM 599 CD PRO A 36 17.373 4.595 -1.490 1.00 0.00 C ATOM 0 HA PRO A 36 14.891 2.680 -0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 36 16.184 1.734 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.164 3.157 -2.827 1.00 0.00 H new ATOM 0 HG2 PRO A 36 18.160 2.978 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.155 4.108 -3.598 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.413 4.768 -1.213 1.00 0.00 H new ATOM 0 HD3 PRO A 36 16.951 5.562 -1.762 1.00 0.00 H new ATOM 607 N ASP A 37 17.761 1.655 0.330 1.00 0.00 N ATOM 608 CA ASP A 37 18.491 0.500 0.922 1.00 0.00 C ATOM 609 C ASP A 37 17.803 0.090 2.229 1.00 0.00 C ATOM 610 O ASP A 37 18.174 -0.877 2.866 1.00 0.00 O ATOM 611 CB ASP A 37 19.936 0.922 1.214 1.00 0.00 C ATOM 612 CG ASP A 37 20.696 1.101 -0.102 1.00 0.00 C ATOM 613 OD1 ASP A 37 20.153 0.743 -1.133 1.00 0.00 O ATOM 614 OD2 ASP A 37 21.814 1.594 -0.057 1.00 0.00 O ATOM 0 H ASP A 37 18.232 2.555 0.419 1.00 0.00 H new ATOM 0 HA ASP A 37 18.487 -0.341 0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 37 19.946 1.853 1.781 1.00 0.00 H new ATOM 0 HB3 ASP A 37 20.428 0.169 1.830 1.00 0.00 H new ATOM 619 N ARG A 38 16.807 0.832 2.636 1.00 0.00 N ATOM 620 CA ARG A 38 16.092 0.508 3.911 1.00 0.00 C ATOM 621 C ARG A 38 14.967 -0.497 3.657 1.00 0.00 C ATOM 622 O ARG A 38 14.242 -0.419 2.681 1.00 0.00 O ATOM 623 CB ARG A 38 15.508 1.786 4.510 1.00 0.00 C ATOM 624 CG ARG A 38 16.643 2.683 5.005 1.00 0.00 C ATOM 625 CD ARG A 38 16.059 3.959 5.619 1.00 0.00 C ATOM 626 NE ARG A 38 17.170 4.839 6.086 1.00 0.00 N ATOM 627 CZ ARG A 38 16.947 5.794 6.953 1.00 0.00 C ATOM 628 NH1 ARG A 38 15.744 5.989 7.426 1.00 0.00 N ATOM 629 NH2 ARG A 38 17.930 6.553 7.346 1.00 0.00 N ATOM 0 H ARG A 38 16.455 1.651 2.141 1.00 0.00 H new ATOM 0 HA ARG A 38 16.805 0.067 4.608 1.00 0.00 H new ATOM 0 HB2 ARG A 38 14.914 2.312 3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 38 14.838 1.541 5.334 1.00 0.00 H new ATOM 0 HG2 ARG A 38 17.243 2.153 5.745 1.00 0.00 H new ATOM 0 HG3 ARG A 38 17.307 2.936 4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 38 15.450 4.484 4.883 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.405 3.707 6.454 1.00 0.00 H new ATOM 0 HE ARG A 38 18.113 4.695 5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.973 5.395 7.120 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.576 6.735 8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 38 18.869 6.402 6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.760 7.298 8.021 1.00 0.00 H new ATOM 643 N THR A 39 14.839 -1.454 4.537 1.00 0.00 N ATOM 644 CA THR A 39 13.792 -2.497 4.371 1.00 0.00 C ATOM 645 C THR A 39 12.408 -1.843 4.156 1.00 0.00 C ATOM 646 O THR A 39 11.951 -1.078 4.984 1.00 0.00 O ATOM 647 CB THR A 39 13.753 -3.383 5.619 1.00 0.00 C ATOM 648 OG1 THR A 39 15.068 -3.836 5.904 1.00 0.00 O ATOM 649 CG2 THR A 39 12.845 -4.592 5.359 1.00 0.00 C ATOM 0 H THR A 39 15.420 -1.556 5.369 1.00 0.00 H new ATOM 0 HA THR A 39 14.033 -3.102 3.497 1.00 0.00 H new ATOM 0 HB THR A 39 13.365 -2.814 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.053 -4.403 6.703 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.817 -5.223 6.247 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.837 -4.247 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.235 -5.166 4.518 1.00 0.00 H new ATOM 657 N PRO A 40 11.746 -2.128 3.057 1.00 0.00 N ATOM 658 CA PRO A 40 10.411 -1.539 2.744 1.00 0.00 C ATOM 659 C PRO A 40 9.288 -2.116 3.604 1.00 0.00 C ATOM 660 O PRO A 40 9.346 -3.244 4.052 1.00 0.00 O ATOM 661 CB PRO A 40 10.202 -1.875 1.256 1.00 0.00 C ATOM 662 CG PRO A 40 11.024 -3.100 1.011 1.00 0.00 C ATOM 663 CD PRO A 40 12.192 -3.044 1.993 1.00 0.00 C ATOM 0 HA PRO A 40 10.385 -0.470 2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.150 -2.057 1.037 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.522 -1.052 0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.431 -4.002 1.165 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.383 -3.126 -0.018 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.421 -4.032 2.392 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.098 -2.678 1.510 1.00 0.00 H new ATOM 671 N ILE A 41 8.258 -1.336 3.829 1.00 0.00 N ATOM 672 CA ILE A 41 7.106 -1.808 4.656 1.00 0.00 C ATOM 673 C ILE A 41 5.831 -1.810 3.796 1.00 0.00 C ATOM 674 O ILE A 41 5.536 -0.836 3.131 1.00 0.00 O ATOM 675 CB ILE A 41 6.905 -0.866 5.846 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.254 -0.664 6.570 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.882 -1.489 6.808 1.00 0.00 C ATOM 678 CD1 ILE A 41 9.021 0.526 5.972 1.00 0.00 C ATOM 0 H ILE A 41 8.167 -0.385 3.471 1.00 0.00 H new ATOM 0 HA ILE A 41 7.311 -2.815 5.019 1.00 0.00 H new ATOM 0 HB ILE A 41 6.537 0.100 5.501 1.00 0.00 H new ATOM 0 HG12 ILE A 41 8.080 -0.493 7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.856 -1.569 6.487 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.732 -0.825 7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.935 -1.633 6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.253 -2.452 7.160 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.968 0.650 6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 41 9.214 0.341 4.915 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.426 1.433 6.079 1.00 0.00 H new ATOM 690 N PRO A 42 5.080 -2.884 3.796 1.00 0.00 N ATOM 691 CA PRO A 42 3.828 -2.987 2.992 1.00 0.00 C ATOM 692 C PRO A 42 2.700 -2.129 3.565 1.00 0.00 C ATOM 693 O PRO A 42 2.579 -1.953 4.762 1.00 0.00 O ATOM 694 CB PRO A 42 3.482 -4.481 3.054 1.00 0.00 C ATOM 695 CG PRO A 42 4.082 -4.963 4.334 1.00 0.00 C ATOM 696 CD PRO A 42 5.333 -4.120 4.558 1.00 0.00 C ATOM 0 HA PRO A 42 3.960 -2.621 1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.403 -4.637 3.040 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.893 -5.017 2.199 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.381 -4.848 5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.332 -6.022 4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.487 -3.910 5.616 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.227 -4.632 4.201 1.00 0.00 H new ATOM 704 N THR A 43 1.875 -1.590 2.706 1.00 0.00 N ATOM 705 CA THR A 43 0.743 -0.730 3.165 1.00 0.00 C ATOM 706 C THR A 43 -0.584 -1.383 2.790 1.00 0.00 C ATOM 707 O THR A 43 -0.747 -1.911 1.694 1.00 0.00 O ATOM 708 CB THR A 43 0.844 0.650 2.517 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.134 1.501 3.088 1.00 0.00 O ATOM 710 CG2 THR A 43 0.612 0.547 1.008 1.00 0.00 C ATOM 0 H THR A 43 1.938 -1.710 1.695 1.00 0.00 H new ATOM 0 HA THR A 43 0.794 -0.619 4.248 1.00 0.00 H new ATOM 0 HB THR A 43 1.841 1.056 2.691 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.081 1.451 4.065 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.687 1.538 0.560 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.364 -0.108 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.381 0.138 0.820 1.00 0.00 H new ATOM 718 N THR A 44 -1.521 -1.357 3.706 1.00 0.00 N ATOM 719 CA THR A 44 -2.863 -1.967 3.465 1.00 0.00 C ATOM 720 C THR A 44 -3.945 -1.055 4.015 1.00 0.00 C ATOM 721 O THR A 44 -3.673 -0.120 4.748 1.00 0.00 O ATOM 722 CB THR A 44 -2.960 -3.326 4.160 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.952 -3.140 5.573 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.776 -4.204 3.747 1.00 0.00 C ATOM 0 H THR A 44 -1.409 -0.931 4.626 1.00 0.00 H new ATOM 0 HA THR A 44 -2.997 -2.099 2.391 1.00 0.00 H new ATOM 0 HB THR A 44 -3.888 -3.817 3.866 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.016 -4.011 6.018 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.849 -5.171 4.244 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.790 -4.350 2.667 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.844 -3.717 4.035 1.00 0.00 H new ATOM 732 N TYR A 45 -5.176 -1.324 3.665 1.00 0.00 N ATOM 733 CA TYR A 45 -6.308 -0.485 4.156 1.00 0.00 C ATOM 734 C TYR A 45 -7.367 -1.392 4.809 1.00 0.00 C ATOM 735 O TYR A 45 -7.597 -2.499 4.361 1.00 0.00 O ATOM 736 CB TYR A 45 -6.928 0.275 2.957 1.00 0.00 C ATOM 737 CG TYR A 45 -7.206 1.709 3.351 1.00 0.00 C ATOM 738 CD1 TYR A 45 -6.142 2.542 3.715 1.00 0.00 C ATOM 739 CD2 TYR A 45 -8.516 2.203 3.367 1.00 0.00 C ATOM 740 CE1 TYR A 45 -6.383 3.866 4.092 1.00 0.00 C ATOM 741 CE2 TYR A 45 -8.759 3.527 3.746 1.00 0.00 C ATOM 742 CZ TYR A 45 -7.693 4.360 4.106 1.00 0.00 C ATOM 743 OH TYR A 45 -7.932 5.667 4.477 1.00 0.00 O ATOM 0 H TYR A 45 -5.447 -2.095 3.055 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.950 0.233 4.894 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.248 0.247 2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.852 -0.212 2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.132 2.161 3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.339 1.562 3.087 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.560 4.507 4.372 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.770 3.907 3.761 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.894 5.849 4.432 1.00 0.00 H new ATOM 753 N PRO A 46 -8.025 -0.927 5.845 1.00 0.00 N ATOM 754 CA PRO A 46 -9.086 -1.714 6.530 1.00 0.00 C ATOM 755 C PRO A 46 -10.009 -2.411 5.524 1.00 0.00 C ATOM 756 O PRO A 46 -10.619 -3.424 5.810 1.00 0.00 O ATOM 757 CB PRO A 46 -9.862 -0.644 7.317 1.00 0.00 C ATOM 758 CG PRO A 46 -8.868 0.439 7.603 1.00 0.00 C ATOM 759 CD PRO A 46 -7.829 0.390 6.479 1.00 0.00 C ATOM 0 HA PRO A 46 -8.679 -2.509 7.155 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.703 -0.263 6.737 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.272 -1.055 8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.356 1.413 7.637 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.396 0.285 8.573 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.980 1.200 5.765 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.817 0.494 6.870 1.00 0.00 H new ATOM 767 N GLU A 47 -10.119 -1.859 4.350 1.00 0.00 N ATOM 768 CA GLU A 47 -11.009 -2.458 3.313 1.00 0.00 C ATOM 769 C GLU A 47 -10.432 -3.778 2.811 1.00 0.00 C ATOM 770 O GLU A 47 -9.256 -4.056 2.954 1.00 0.00 O ATOM 771 CB GLU A 47 -11.130 -1.495 2.133 1.00 0.00 C ATOM 772 CG GLU A 47 -11.839 -0.216 2.582 1.00 0.00 C ATOM 773 CD GLU A 47 -13.283 -0.541 2.966 1.00 0.00 C ATOM 774 OE1 GLU A 47 -13.774 -1.568 2.529 1.00 0.00 O ATOM 775 OE2 GLU A 47 -13.873 0.242 3.691 1.00 0.00 O ATOM 0 H GLU A 47 -9.628 -1.013 4.060 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.988 -2.640 3.757 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.141 -1.256 1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.687 -1.966 1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.316 0.223 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.822 0.522 1.780 1.00 0.00 H new ATOM 782 N PHE A 48 -11.264 -4.591 2.217 1.00 0.00 N ATOM 783 CA PHE A 48 -10.805 -5.908 1.685 1.00 0.00 C ATOM 784 C PHE A 48 -11.243 -6.045 0.230 1.00 0.00 C ATOM 785 O PHE A 48 -12.285 -5.556 -0.171 1.00 0.00 O ATOM 786 CB PHE A 48 -11.428 -7.034 2.510 1.00 0.00 C ATOM 787 CG PHE A 48 -11.072 -6.853 3.964 1.00 0.00 C ATOM 788 CD1 PHE A 48 -11.883 -6.064 4.793 1.00 0.00 C ATOM 789 CD2 PHE A 48 -9.933 -7.469 4.486 1.00 0.00 C ATOM 790 CE1 PHE A 48 -11.550 -5.894 6.141 1.00 0.00 C ATOM 791 CE2 PHE A 48 -9.600 -7.299 5.833 1.00 0.00 C ATOM 792 CZ PHE A 48 -10.408 -6.514 6.663 1.00 0.00 C ATOM 0 H PHE A 48 -12.255 -4.396 2.076 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.718 -5.969 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -12.511 -7.032 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.069 -8.000 2.155 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.765 -5.588 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.309 -8.077 3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.173 -5.285 6.779 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.717 -7.775 6.234 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.151 -6.387 7.704 1.00 0.00 H new ATOM 802 N TYR A 49 -10.452 -6.704 -0.565 1.00 0.00 N ATOM 803 CA TYR A 49 -10.803 -6.881 -2.003 1.00 0.00 C ATOM 804 C TYR A 49 -10.253 -8.213 -2.512 1.00 0.00 C ATOM 805 O TYR A 49 -9.064 -8.470 -2.468 1.00 0.00 O ATOM 806 CB TYR A 49 -10.215 -5.724 -2.814 1.00 0.00 C ATOM 807 CG TYR A 49 -10.969 -4.464 -2.467 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.269 -4.279 -2.948 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.376 -3.489 -1.656 1.00 0.00 C ATOM 810 CE1 TYR A 49 -12.978 -3.118 -2.619 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.087 -2.329 -1.326 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.386 -2.143 -1.810 1.00 0.00 C ATOM 813 OH TYR A 49 -13.086 -0.999 -1.483 1.00 0.00 O ATOM 0 H TYR A 49 -9.571 -7.132 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.887 -6.885 -2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.155 -5.605 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.294 -5.931 -3.881 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.726 -5.032 -3.573 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.372 -3.631 -1.286 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.982 -2.975 -2.990 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.632 -1.578 -0.698 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.530 -0.427 -0.914 1.00 0.00 H new ATOM 823 N ASP A 50 -11.118 -9.053 -3.003 1.00 0.00 N ATOM 824 CA ASP A 50 -10.681 -10.373 -3.540 1.00 0.00 C ATOM 825 C ASP A 50 -10.189 -10.181 -4.978 1.00 0.00 C ATOM 826 O ASP A 50 -9.467 -10.994 -5.520 1.00 0.00 O ATOM 827 CB ASP A 50 -11.870 -11.339 -3.538 1.00 0.00 C ATOM 828 CG ASP A 50 -12.235 -11.714 -2.100 1.00 0.00 C ATOM 829 OD1 ASP A 50 -11.458 -11.404 -1.213 1.00 0.00 O ATOM 830 OD2 ASP A 50 -13.285 -12.306 -1.910 1.00 0.00 O ATOM 0 H ASP A 50 -12.122 -8.880 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.880 -10.780 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.726 -10.877 -4.031 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.622 -12.236 -4.105 1.00 0.00 H new ATOM 835 N LEU A 51 -10.590 -9.106 -5.602 1.00 0.00 N ATOM 836 CA LEU A 51 -10.167 -8.853 -7.010 1.00 0.00 C ATOM 837 C LEU A 51 -8.766 -8.240 -7.030 1.00 0.00 C ATOM 838 O LEU A 51 -8.441 -7.357 -6.258 1.00 0.00 O ATOM 839 CB LEU A 51 -11.164 -7.898 -7.677 1.00 0.00 C ATOM 840 CG LEU A 51 -12.572 -8.507 -7.627 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.575 -7.525 -8.242 1.00 0.00 C ATOM 842 CD2 LEU A 51 -12.602 -9.831 -8.412 1.00 0.00 C ATOM 0 H LEU A 51 -11.194 -8.391 -5.197 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.147 -9.796 -7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.155 -6.934 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.872 -7.716 -8.711 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.840 -8.702 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.575 -7.957 -8.207 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.563 -6.592 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.302 -7.327 -9.278 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.605 -10.256 -8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.329 -9.644 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.893 -10.532 -7.971 1.00 0.00 H new ATOM 854 N GLU A 52 -7.939 -8.716 -7.916 1.00 0.00 N ATOM 855 CA GLU A 52 -6.549 -8.189 -8.019 1.00 0.00 C ATOM 856 C GLU A 52 -6.574 -6.770 -8.596 1.00 0.00 C ATOM 857 O GLU A 52 -5.846 -5.895 -8.168 1.00 0.00 O ATOM 858 CB GLU A 52 -5.746 -9.098 -8.953 1.00 0.00 C ATOM 859 CG GLU A 52 -4.298 -8.610 -9.026 1.00 0.00 C ATOM 860 CD GLU A 52 -3.476 -9.558 -9.903 1.00 0.00 C ATOM 861 OE1 GLU A 52 -3.513 -10.751 -9.649 1.00 0.00 O ATOM 862 OE2 GLU A 52 -2.820 -9.073 -10.809 1.00 0.00 O ATOM 0 H GLU A 52 -8.168 -9.455 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.091 -8.166 -7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.776 -10.126 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.191 -9.098 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.265 -7.600 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.870 -8.562 -8.025 1.00 0.00 H new ATOM 869 N ALA A 53 -7.408 -6.543 -9.572 1.00 0.00 N ATOM 870 CA ALA A 53 -7.487 -5.186 -10.194 1.00 0.00 C ATOM 871 C ALA A 53 -7.959 -4.164 -9.153 1.00 0.00 C ATOM 872 O ALA A 53 -7.444 -3.066 -9.059 1.00 0.00 O ATOM 873 CB ALA A 53 -8.494 -5.229 -11.343 1.00 0.00 C ATOM 0 H ALA A 53 -8.041 -7.238 -9.968 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.503 -4.896 -10.563 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.561 -4.244 -11.805 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.168 -5.957 -12.086 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.473 -5.516 -10.959 1.00 0.00 H new ATOM 879 N ASP A 54 -8.938 -4.523 -8.374 1.00 0.00 N ATOM 880 CA ASP A 54 -9.463 -3.587 -7.334 1.00 0.00 C ATOM 881 C ASP A 54 -8.383 -3.320 -6.279 1.00 0.00 C ATOM 882 O ASP A 54 -8.225 -2.215 -5.796 1.00 0.00 O ATOM 883 CB ASP A 54 -10.676 -4.227 -6.656 1.00 0.00 C ATOM 884 CG ASP A 54 -11.372 -3.197 -5.763 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.745 -2.202 -5.440 1.00 0.00 O ATOM 886 OD2 ASP A 54 -12.519 -3.426 -5.416 1.00 0.00 O ATOM 0 H ASP A 54 -9.403 -5.430 -8.410 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.747 -2.646 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.371 -4.599 -7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.362 -5.085 -6.061 1.00 0.00 H new ATOM 891 N ALA A 55 -7.645 -4.331 -5.912 1.00 0.00 N ATOM 892 CA ALA A 55 -6.579 -4.147 -4.880 1.00 0.00 C ATOM 893 C ALA A 55 -5.499 -3.196 -5.411 1.00 0.00 C ATOM 894 O ALA A 55 -4.982 -2.359 -4.697 1.00 0.00 O ATOM 895 CB ALA A 55 -5.942 -5.504 -4.570 1.00 0.00 C ATOM 0 H ALA A 55 -7.732 -5.278 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.020 -3.725 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.163 -5.377 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.704 -6.186 -4.192 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.504 -5.917 -5.479 1.00 0.00 H new ATOM 901 N GLU A 56 -5.153 -3.327 -6.663 1.00 0.00 N ATOM 902 CA GLU A 56 -4.103 -2.438 -7.251 1.00 0.00 C ATOM 903 C GLU A 56 -4.615 -0.995 -7.308 1.00 0.00 C ATOM 904 O GLU A 56 -3.925 -0.060 -6.948 1.00 0.00 O ATOM 905 CB GLU A 56 -3.782 -2.917 -8.671 1.00 0.00 C ATOM 906 CG GLU A 56 -3.060 -4.265 -8.603 1.00 0.00 C ATOM 907 CD GLU A 56 -2.836 -4.810 -10.019 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.252 -4.154 -10.960 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.251 -5.874 -10.134 1.00 0.00 O ATOM 0 H GLU A 56 -5.551 -4.011 -7.307 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.207 -2.476 -6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.700 -3.013 -9.250 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.158 -2.183 -9.182 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.104 -4.150 -8.093 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.649 -4.974 -8.020 1.00 0.00 H new ATOM 916 N ARG A 57 -5.821 -0.808 -7.767 1.00 0.00 N ATOM 917 CA ARG A 57 -6.389 0.573 -7.858 1.00 0.00 C ATOM 918 C ARG A 57 -6.539 1.171 -6.453 1.00 0.00 C ATOM 919 O ARG A 57 -6.209 2.315 -6.207 1.00 0.00 O ATOM 920 CB ARG A 57 -7.766 0.501 -8.526 1.00 0.00 C ATOM 921 CG ARG A 57 -7.603 0.174 -10.012 1.00 0.00 C ATOM 922 CD ARG A 57 -8.982 0.079 -10.678 1.00 0.00 C ATOM 923 NE ARG A 57 -9.704 -1.119 -10.161 1.00 0.00 N ATOM 924 CZ ARG A 57 -10.909 -1.404 -10.583 1.00 0.00 C ATOM 925 NH1 ARG A 57 -11.496 -0.643 -11.469 1.00 0.00 N ATOM 926 NH2 ARG A 57 -11.526 -2.451 -10.115 1.00 0.00 N ATOM 0 H ARG A 57 -6.442 -1.552 -8.085 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.720 1.203 -8.444 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.376 -0.261 -8.041 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.288 1.451 -8.408 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -7.006 0.944 -10.500 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.067 -0.767 -10.130 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.559 0.981 -10.473 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.871 0.011 -11.760 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.254 -1.722 -9.472 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.014 0.178 -11.835 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -12.436 -0.870 -11.794 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.070 -3.045 -9.422 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.466 -2.677 -10.441 1.00 0.00 H new ATOM 940 N VAL A 58 -7.040 0.396 -5.536 1.00 0.00 N ATOM 941 CA VAL A 58 -7.225 0.894 -4.139 1.00 0.00 C ATOM 942 C VAL A 58 -5.860 1.152 -3.492 1.00 0.00 C ATOM 943 O VAL A 58 -5.661 2.127 -2.791 1.00 0.00 O ATOM 944 CB VAL A 58 -7.986 -0.155 -3.323 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.024 0.265 -1.851 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.416 -0.276 -3.854 1.00 0.00 C ATOM 0 H VAL A 58 -7.333 -0.569 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.792 1.825 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.481 -1.117 -3.412 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.566 -0.483 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.006 0.350 -1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.527 1.228 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.958 -1.023 -3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.919 0.687 -3.767 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.391 -0.579 -4.901 1.00 0.00 H new ATOM 956 N SER A 59 -4.925 0.272 -3.709 1.00 0.00 N ATOM 957 CA SER A 59 -3.576 0.443 -3.095 1.00 0.00 C ATOM 958 C SER A 59 -2.980 1.792 -3.508 1.00 0.00 C ATOM 959 O SER A 59 -2.383 2.488 -2.711 1.00 0.00 O ATOM 960 CB SER A 59 -2.657 -0.681 -3.580 1.00 0.00 C ATOM 961 OG SER A 59 -2.450 -0.545 -4.981 1.00 0.00 O ATOM 0 H SER A 59 -5.035 -0.562 -4.286 1.00 0.00 H new ATOM 0 HA SER A 59 -3.669 0.408 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.703 -0.640 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.101 -1.651 -3.359 1.00 0.00 H new ATOM 0 HG SER A 59 -3.298 -0.319 -5.417 1.00 0.00 H new ATOM 967 N ILE A 60 -3.137 2.171 -4.746 1.00 0.00 N ATOM 968 CA ILE A 60 -2.578 3.482 -5.199 1.00 0.00 C ATOM 969 C ILE A 60 -3.295 4.628 -4.472 1.00 0.00 C ATOM 970 O ILE A 60 -2.682 5.562 -3.984 1.00 0.00 O ATOM 971 CB ILE A 60 -2.808 3.631 -6.707 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.958 2.606 -7.459 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.412 5.044 -7.153 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.384 2.557 -8.930 1.00 0.00 C ATOM 0 H ILE A 60 -3.625 1.635 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.512 3.517 -4.976 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.862 3.463 -6.927 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.903 2.870 -7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.072 1.622 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.577 5.147 -8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.019 5.777 -6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.359 5.214 -6.930 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.775 1.825 -9.461 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.434 2.271 -8.995 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.246 3.539 -9.382 1.00 0.00 H new ATOM 986 N ALA A 61 -4.594 4.562 -4.403 1.00 0.00 N ATOM 987 CA ALA A 61 -5.364 5.645 -3.722 1.00 0.00 C ATOM 988 C ALA A 61 -5.069 5.630 -2.222 1.00 0.00 C ATOM 989 O ALA A 61 -4.685 6.625 -1.641 1.00 0.00 O ATOM 990 CB ALA A 61 -6.859 5.406 -3.941 1.00 0.00 C ATOM 0 H ALA A 61 -5.159 3.805 -4.788 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.073 6.611 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.429 6.192 -3.447 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.076 5.416 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.138 4.439 -3.523 1.00 0.00 H new ATOM 996 N CYS A 62 -5.242 4.502 -1.594 1.00 0.00 N ATOM 997 CA CYS A 62 -4.980 4.404 -0.125 1.00 0.00 C ATOM 998 C CYS A 62 -3.502 4.683 0.158 1.00 0.00 C ATOM 999 O CYS A 62 -3.150 5.276 1.161 1.00 0.00 O ATOM 1000 CB CYS A 62 -5.329 2.993 0.353 1.00 0.00 C ATOM 1001 SG CYS A 62 -7.110 2.714 0.191 1.00 0.00 S ATOM 0 H CYS A 62 -5.555 3.637 -2.034 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.591 5.137 0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.781 2.255 -0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.025 2.865 1.392 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.614 2.436 1.357 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.632 4.263 -0.718 1.00 0.00 N ATOM 1008 CA ALA A 63 -1.176 4.505 -0.496 1.00 0.00 C ATOM 1009 C ALA A 63 -0.949 6.006 -0.302 1.00 0.00 C ATOM 1010 O ALA A 63 -0.221 6.432 0.576 1.00 0.00 O ATOM 1011 CB ALA A 63 -0.392 4.026 -1.721 1.00 0.00 C ATOM 0 H ALA A 63 -2.864 3.764 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.838 3.962 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.672 4.201 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.566 2.960 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.723 4.575 -2.602 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.584 6.815 -1.107 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.423 8.291 -0.958 1.00 0.00 C ATOM 1019 C LYS A 64 -1.964 8.709 0.411 1.00 0.00 C ATOM 1020 O LYS A 64 -1.398 9.544 1.093 1.00 0.00 O ATOM 1021 CB LYS A 64 -2.211 9.009 -2.054 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.547 8.757 -3.407 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.332 9.479 -4.506 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.624 9.291 -5.848 1.00 0.00 C ATOM 1025 NZ LYS A 64 -1.634 7.847 -6.217 1.00 0.00 N ATOM 0 H LYS A 64 -2.206 6.519 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.369 8.557 -1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -3.241 8.652 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.248 10.079 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.516 9.111 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.513 7.687 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.347 9.086 -4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.414 10.540 -4.272 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.122 9.878 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.598 9.654 -5.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.662 7.477 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.221 7.320 -5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.026 7.736 -7.174 1.00 0.00 H new ATOM 1039 N ILE A 65 -3.055 8.123 0.823 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.634 8.470 2.155 1.00 0.00 C ATOM 1041 C ILE A 65 -2.650 8.040 3.246 1.00 0.00 C ATOM 1042 O ILE A 65 -2.398 8.751 4.201 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.955 7.723 2.365 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.892 7.951 1.174 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.628 8.221 3.643 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -6.023 9.441 0.874 1.00 0.00 C ATOM 0 H ILE A 65 -3.571 7.419 0.296 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.815 9.544 2.200 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.745 6.657 2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.508 7.430 0.297 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.874 7.530 1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.568 7.689 3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.971 8.041 4.494 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.826 9.289 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.692 9.584 0.025 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.429 9.953 1.746 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.042 9.852 0.636 1.00 0.00 H new ATOM 1058 N ILE A 66 -2.099 6.867 3.105 1.00 0.00 N ATOM 1059 CA ILE A 66 -1.127 6.355 4.118 1.00 0.00 C ATOM 1060 C ILE A 66 0.116 7.245 4.130 1.00 0.00 C ATOM 1061 O ILE A 66 0.633 7.606 5.168 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.722 4.925 3.732 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.930 3.976 3.883 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.440 4.453 4.622 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.057 3.481 5.332 1.00 0.00 C ATOM 0 H ILE A 66 -2.280 6.234 2.326 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.585 6.362 5.107 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.396 4.914 2.692 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.843 4.493 3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.816 3.125 3.212 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.723 3.438 4.343 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.294 5.117 4.488 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.128 4.469 5.666 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.915 2.814 5.415 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.151 2.944 5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.195 4.334 5.997 1.00 0.00 H new ATOM 1077 N ILE A 67 0.596 7.596 2.976 1.00 0.00 N ATOM 1078 CA ILE A 67 1.803 8.465 2.899 1.00 0.00 C ATOM 1079 C ILE A 67 1.483 9.836 3.506 1.00 0.00 C ATOM 1080 O ILE A 67 2.254 10.394 4.263 1.00 0.00 O ATOM 1081 CB ILE A 67 2.204 8.631 1.429 1.00 0.00 C ATOM 1082 CG1 ILE A 67 2.732 7.295 0.890 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.288 9.705 1.303 1.00 0.00 C ATOM 1084 CD1 ILE A 67 2.825 7.353 -0.637 1.00 0.00 C ATOM 0 H ILE A 67 0.205 7.319 2.076 1.00 0.00 H new ATOM 0 HA ILE A 67 2.624 8.011 3.453 1.00 0.00 H new ATOM 0 HB ILE A 67 1.333 8.937 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.713 7.083 1.316 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.071 6.483 1.193 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.568 9.818 0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.906 10.653 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.162 9.409 1.883 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.200 6.402 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.837 7.545 -1.055 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.504 8.154 -0.930 1.00 0.00 H new ATOM 1096 N ASP A 68 0.345 10.378 3.174 1.00 0.00 N ATOM 1097 CA ASP A 68 -0.044 11.711 3.723 1.00 0.00 C ATOM 1098 C ASP A 68 -0.227 11.607 5.240 1.00 0.00 C ATOM 1099 O ASP A 68 0.233 12.440 6.001 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.366 12.143 3.077 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.796 13.505 3.629 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -1.164 13.970 4.560 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.749 14.057 3.104 1.00 0.00 O ATOM 0 H ASP A 68 -0.336 9.955 2.544 1.00 0.00 H new ATOM 0 HA ASP A 68 0.734 12.443 3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.250 12.200 1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.138 11.400 3.277 1.00 0.00 H new ATOM 1108 N SER A 69 -0.901 10.585 5.680 1.00 0.00 N ATOM 1109 CA SER A 69 -1.132 10.402 7.145 1.00 0.00 C ATOM 1110 C SER A 69 0.208 10.214 7.864 1.00 0.00 C ATOM 1111 O SER A 69 0.418 10.705 8.957 1.00 0.00 O ATOM 1112 CB SER A 69 -2.007 9.170 7.368 1.00 0.00 C ATOM 1113 OG SER A 69 -3.237 9.335 6.673 1.00 0.00 O ATOM 0 H SER A 69 -1.306 9.861 5.087 1.00 0.00 H new ATOM 0 HA SER A 69 -1.631 11.285 7.545 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.493 8.276 7.014 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.194 9.030 8.433 1.00 0.00 H new ATOM 0 HG SER A 69 -3.108 9.123 5.725 1.00 0.00 H new ATOM 1119 N HIS A 70 1.114 9.498 7.260 1.00 0.00 N ATOM 1120 CA HIS A 70 2.440 9.264 7.906 1.00 0.00 C ATOM 1121 C HIS A 70 3.151 10.601 8.133 1.00 0.00 C ATOM 1122 O HIS A 70 3.770 10.824 9.155 1.00 0.00 O ATOM 1123 CB HIS A 70 3.299 8.379 6.999 1.00 0.00 C ATOM 1124 CG HIS A 70 4.591 8.057 7.694 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.629 7.373 8.898 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.900 8.318 7.371 1.00 0.00 C ATOM 1127 CE1 HIS A 70 5.920 7.244 9.252 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.738 7.803 8.356 1.00 0.00 N ATOM 0 H HIS A 70 0.996 9.063 6.345 1.00 0.00 H new ATOM 0 HA HIS A 70 2.289 8.770 8.866 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.765 7.460 6.757 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.498 8.890 6.057 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.229 8.843 6.487 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.255 6.749 10.151 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.757 7.844 8.387 1.00 0.00 H new ATOM 1136 N LEU A 71 3.072 11.485 7.183 1.00 0.00 N ATOM 1137 CA LEU A 71 3.747 12.812 7.328 1.00 0.00 C ATOM 1138 C LEU A 71 3.136 13.580 8.505 1.00 0.00 C ATOM 1139 O LEU A 71 3.833 14.200 9.286 1.00 0.00 O ATOM 1140 CB LEU A 71 3.551 13.617 6.043 1.00 0.00 C ATOM 1141 CG LEU A 71 4.321 12.952 4.890 1.00 0.00 C ATOM 1142 CD1 LEU A 71 3.922 13.608 3.562 1.00 0.00 C ATOM 1143 CD2 LEU A 71 5.842 13.097 5.102 1.00 0.00 C ATOM 0 H LEU A 71 2.568 11.350 6.306 1.00 0.00 H new ATOM 0 HA LEU A 71 4.810 12.659 7.512 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.491 13.676 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.903 14.639 6.186 1.00 0.00 H new ATOM 0 HG LEU A 71 4.071 11.891 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.468 13.137 2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.851 13.484 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.163 14.670 3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.371 12.621 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.105 14.154 5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.126 12.619 6.039 1.00 0.00 H new ATOM 1155 N ASP A 72 1.841 13.539 8.643 1.00 0.00 N ATOM 1156 CA ASP A 72 1.187 14.261 9.775 1.00 0.00 C ATOM 1157 C ASP A 72 1.324 13.421 11.047 1.00 0.00 C ATOM 1158 O ASP A 72 1.959 13.814 12.008 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.299 14.461 9.468 1.00 0.00 C ATOM 1160 CG ASP A 72 -0.467 15.488 8.348 1.00 0.00 C ATOM 1161 OD1 ASP A 72 0.495 16.173 8.046 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -1.561 15.574 7.811 1.00 0.00 O ATOM 0 H ASP A 72 1.205 13.038 8.023 1.00 0.00 H new ATOM 0 HA ASP A 72 1.664 15.231 9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.749 13.513 9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.822 14.798 10.363 1.00 0.00 H new ATOM 1167 N ARG A 73 0.729 12.261 11.054 1.00 0.00 N ATOM 1168 CA ARG A 73 0.814 11.377 12.253 1.00 0.00 C ATOM 1169 C ARG A 73 0.223 10.002 11.918 1.00 0.00 C ATOM 1170 O ARG A 73 -0.848 9.897 11.351 1.00 0.00 O ATOM 1171 CB ARG A 73 0.040 12.009 13.418 1.00 0.00 C ATOM 1172 CG ARG A 73 0.212 11.150 14.675 1.00 0.00 C ATOM 1173 CD ARG A 73 -0.553 11.782 15.843 1.00 0.00 C ATOM 1174 NE ARG A 73 -2.014 11.759 15.551 1.00 0.00 N ATOM 1175 CZ ARG A 73 -2.867 12.309 16.375 1.00 0.00 C ATOM 1176 NH1 ARG A 73 -2.447 12.894 17.465 1.00 0.00 N ATOM 1177 NH2 ARG A 73 -4.140 12.275 16.105 1.00 0.00 N ATOM 0 H ARG A 73 0.185 11.884 10.278 1.00 0.00 H new ATOM 0 HA ARG A 73 1.858 11.258 12.543 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.403 13.020 13.603 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.017 12.092 13.164 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.156 10.141 14.490 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.269 11.063 14.925 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.347 11.237 16.764 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.218 12.808 15.998 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.352 11.310 14.700 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.450 12.923 17.676 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.117 13.322 18.105 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.469 11.820 15.253 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.809 12.703 16.745 1.00 0.00 H new ATOM 1191 N HIS A 74 0.914 8.950 12.263 1.00 0.00 N ATOM 1192 CA HIS A 74 0.400 7.576 11.970 1.00 0.00 C ATOM 1193 C HIS A 74 1.129 6.558 12.851 1.00 0.00 C ATOM 1194 O HIS A 74 2.120 6.862 13.489 1.00 0.00 O ATOM 1195 CB HIS A 74 0.630 7.229 10.497 1.00 0.00 C ATOM 1196 CG HIS A 74 -0.079 5.943 10.164 1.00 0.00 C ATOM 1197 ND1 HIS A 74 -1.462 5.861 10.081 1.00 0.00 N ATOM 1198 CD2 HIS A 74 0.387 4.682 9.885 1.00 0.00 C ATOM 1199 CE1 HIS A 74 -1.774 4.592 9.761 1.00 0.00 C ATOM 1200 NE2 HIS A 74 -0.686 3.830 9.631 1.00 0.00 N ATOM 0 H HIS A 74 1.817 8.980 12.737 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.669 7.546 12.181 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.261 8.034 9.861 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.697 7.129 10.299 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.428 4.394 9.865 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.784 4.233 9.626 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -0.648 2.838 9.396 1.00 0.00 H new ATOM 1208 N ASP A 75 0.637 5.353 12.889 1.00 0.00 N ATOM 1209 CA ASP A 75 1.271 4.293 13.725 1.00 0.00 C ATOM 1210 C ASP A 75 2.425 3.635 12.968 1.00 0.00 C ATOM 1211 O ASP A 75 2.770 4.027 11.870 1.00 0.00 O ATOM 1212 CB ASP A 75 0.217 3.238 14.068 1.00 0.00 C ATOM 1213 CG ASP A 75 0.773 2.264 15.110 1.00 0.00 C ATOM 1214 OD1 ASP A 75 1.693 2.645 15.814 1.00 0.00 O ATOM 1215 OD2 ASP A 75 0.265 1.159 15.188 1.00 0.00 O ATOM 0 H ASP A 75 -0.188 5.052 12.370 1.00 0.00 H new ATOM 0 HA ASP A 75 1.665 4.742 14.637 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -0.682 3.721 14.452 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.073 2.695 13.168 1.00 0.00 H new ATOM 1220 N GLN A 76 3.027 2.637 13.565 1.00 0.00 N ATOM 1221 CA GLN A 76 4.172 1.928 12.919 1.00 0.00 C ATOM 1222 C GLN A 76 3.923 1.765 11.417 1.00 0.00 C ATOM 1223 O GLN A 76 3.311 0.812 10.969 1.00 0.00 O ATOM 1224 CB GLN A 76 4.346 0.554 13.575 1.00 0.00 C ATOM 1225 CG GLN A 76 5.642 -0.103 13.083 1.00 0.00 C ATOM 1226 CD GLN A 76 5.432 -0.666 11.677 1.00 0.00 C ATOM 1227 OE1 GLN A 76 4.418 -1.270 11.395 1.00 0.00 O ATOM 1228 NE2 GLN A 76 6.360 -0.492 10.775 1.00 0.00 N ATOM 0 H GLN A 76 2.769 2.279 14.485 1.00 0.00 H new ATOM 0 HA GLN A 76 5.080 2.516 13.053 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.372 0.660 14.659 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.493 -0.082 13.337 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.451 0.627 13.076 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.938 -0.901 13.764 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.212 0.016 11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.232 -0.864 9.834 1.00 0.00 H new ATOM 1237 N GLY A 77 4.397 2.696 10.643 1.00 0.00 N ATOM 1238 CA GLY A 77 4.200 2.617 9.170 1.00 0.00 C ATOM 1239 C GLY A 77 5.146 3.589 8.463 1.00 0.00 C ATOM 1240 O GLY A 77 5.137 4.781 8.707 1.00 0.00 O ATOM 0 H GLY A 77 4.915 3.513 10.967 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.385 1.600 8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.166 2.856 8.920 1.00 0.00 H new ATOM 1244 N LEU A 78 5.964 3.074 7.585 1.00 0.00 N ATOM 1245 CA LEU A 78 6.932 3.934 6.837 1.00 0.00 C ATOM 1246 C LEU A 78 7.864 4.640 7.828 1.00 0.00 C ATOM 1247 O LEU A 78 8.735 5.401 7.452 1.00 0.00 O ATOM 1248 CB LEU A 78 6.165 4.970 6.009 1.00 0.00 C ATOM 1249 CG LEU A 78 5.025 4.280 5.250 1.00 0.00 C ATOM 1250 CD1 LEU A 78 4.374 5.277 4.289 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.568 3.083 4.456 1.00 0.00 C ATOM 0 H LEU A 78 6.005 2.082 7.350 1.00 0.00 H new ATOM 0 HA LEU A 78 7.528 3.314 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.764 5.746 6.660 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.839 5.460 5.306 1.00 0.00 H new ATOM 0 HG LEU A 78 4.285 3.925 5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.564 4.786 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.976 6.120 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.118 5.636 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.750 2.600 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.315 3.429 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.025 2.369 5.141 1.00 0.00 H new ATOM 1263 N ALA A 79 7.691 4.375 9.092 1.00 0.00 N ATOM 1264 CA ALA A 79 8.564 5.007 10.126 1.00 0.00 C ATOM 1265 C ALA A 79 10.010 4.533 9.932 1.00 0.00 C ATOM 1266 O ALA A 79 10.956 5.263 10.158 1.00 0.00 O ATOM 1267 CB ALA A 79 8.078 4.588 11.517 1.00 0.00 C ATOM 0 H ALA A 79 6.978 3.744 9.458 1.00 0.00 H new ATOM 0 HA ALA A 79 8.520 6.092 10.030 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.711 5.046 12.277 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.048 4.916 11.657 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.128 3.503 11.609 1.00 0.00 H new ATOM 1273 N ASP A 80 10.184 3.309 9.515 1.00 0.00 N ATOM 1274 CA ASP A 80 11.563 2.767 9.305 1.00 0.00 C ATOM 1275 C ASP A 80 12.281 3.580 8.221 1.00 0.00 C ATOM 1276 O ASP A 80 13.452 3.892 8.331 1.00 0.00 O ATOM 1277 CB ASP A 80 11.463 1.310 8.850 1.00 0.00 C ATOM 1278 CG ASP A 80 11.048 0.426 10.026 1.00 0.00 C ATOM 1279 OD1 ASP A 80 11.149 0.883 11.152 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.636 -0.698 9.780 1.00 0.00 O ATOM 0 H ASP A 80 9.429 2.655 9.309 1.00 0.00 H new ATOM 0 HA ASP A 80 12.123 2.832 10.238 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.736 1.221 8.042 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.422 0.977 8.454 1.00 0.00 H new ATOM 1285 N LEU A 81 11.584 3.925 7.176 1.00 0.00 N ATOM 1286 CA LEU A 81 12.213 4.718 6.079 1.00 0.00 C ATOM 1287 C LEU A 81 12.639 6.087 6.618 1.00 0.00 C ATOM 1288 O LEU A 81 13.690 6.603 6.291 1.00 0.00 O ATOM 1289 CB LEU A 81 11.194 4.915 4.954 1.00 0.00 C ATOM 1290 CG LEU A 81 10.613 3.560 4.540 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.539 3.772 3.468 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.729 2.663 3.980 1.00 0.00 C ATOM 0 H LEU A 81 10.602 3.692 7.032 1.00 0.00 H new ATOM 0 HA LEU A 81 13.086 4.188 5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 81 10.395 5.578 5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.670 5.394 4.099 1.00 0.00 H new ATOM 0 HG LEU A 81 10.169 3.077 5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.125 2.808 3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.744 4.401 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.983 4.258 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.310 1.700 3.687 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.179 3.142 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.491 2.509 4.745 1.00 0.00 H new ATOM 1304 N GLY A 82 11.823 6.678 7.444 1.00 0.00 N ATOM 1305 CA GLY A 82 12.170 8.016 8.009 1.00 0.00 C ATOM 1306 C GLY A 82 11.199 8.356 9.141 1.00 0.00 C ATOM 1307 O GLY A 82 11.609 9.039 10.065 1.00 0.00 O ATOM 1308 OXT GLY A 82 10.061 7.923 9.065 1.00 0.00 O ATOM 0 H GLY A 82 10.930 6.294 7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.194 8.011 8.382 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.119 8.777 7.230 1.00 0.00 H new TER 1312 GLY A 82