USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 798 hydrogens (2 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 54 SER OG : rot 180:sc= -1.39 USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.5) USER MOD Single : A 5 ASN :FLIP amide:sc= -0.0531 F(o=-2.4!,f=-0.053) USER MOD Single : A 6 LYS NZ :NH3+ 159:sc= -0.0577 (180deg=-0.496) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc=-0.00668 (180deg=-0.311) USER MOD Single : A 12 LYS NZ :NH3+ 160:sc= -0.0571 (180deg=-0.549) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -0.0623 (180deg=-0.458) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.85) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 5:sc= 0.186! USER MOD Single : A 30 SER OG : rot -38:sc= 0.582 USER MOD Single : A 37 ASN : amide:sc= -0.0791 K(o=-0.079,f=-1.8) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -51:sc= 0.893 USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.116) USER MOD Single : A 48 TYR OH : rot 30:sc= -0.45 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -2.72! C(o=-2.7!,f=-5.4!) USER MOD Single : A 63 SER OG : rot 160:sc= -0.698 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.82 K(o=-2.8,f=-7.5!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -1.19 F(o=-2,f=-1.2) USER MOD Single : A 83 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.3) USER MOD Single : A 87 ASN : amide:sc= -0.0623 K(o=-0.062,f=-2!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -68:sc= 0.159 USER MOD Single : A 93 LYS NZ :NH3+ -168:sc=-0.00451 (180deg=-0.159) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -8.419 -14.613 -7.326 1.00 0.00 N ATOM 2 CA ALA A 2 -7.746 -13.450 -6.682 1.00 0.00 C ATOM 3 C ALA A 2 -6.529 -13.940 -5.908 1.00 0.00 C ATOM 4 O ALA A 2 -5.472 -13.310 -5.931 1.00 0.00 O ATOM 5 CB ALA A 2 -8.724 -12.762 -5.729 1.00 0.00 C ATOM 0 HA ALA A 2 -7.427 -12.739 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.234 -11.911 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.594 -12.416 -6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.043 -13.468 -4.962 1.00 0.00 H new ATOM 13 N LEU A 3 -6.685 -15.065 -5.221 1.00 0.00 N ATOM 14 CA LEU A 3 -5.587 -15.622 -4.441 1.00 0.00 C ATOM 15 C LEU A 3 -4.419 -15.988 -5.350 1.00 0.00 C ATOM 16 O LEU A 3 -3.262 -15.734 -5.020 1.00 0.00 O ATOM 17 CB LEU A 3 -6.060 -16.870 -3.682 1.00 0.00 C ATOM 18 CG LEU A 3 -4.903 -17.459 -2.854 1.00 0.00 C ATOM 19 CD1 LEU A 3 -4.394 -16.420 -1.838 1.00 0.00 C ATOM 20 CD2 LEU A 3 -5.399 -18.710 -2.116 1.00 0.00 C ATOM 0 H LEU A 3 -7.550 -15.604 -5.188 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.255 -14.869 -3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.892 -16.612 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.429 -17.615 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.082 -17.726 -3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.576 -16.848 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.039 -15.536 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.206 -16.139 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.584 -19.132 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.222 -18.440 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.743 -19.448 -2.841 1.00 0.00 H new ATOM 32 N GLN A 4 -4.731 -16.592 -6.489 1.00 0.00 N ATOM 33 CA GLN A 4 -3.700 -16.994 -7.437 1.00 0.00 C ATOM 34 C GLN A 4 -2.596 -17.777 -6.728 1.00 0.00 C ATOM 35 O GLN A 4 -1.591 -17.208 -6.305 1.00 0.00 O ATOM 36 CB GLN A 4 -3.098 -15.760 -8.106 1.00 0.00 C ATOM 37 CG GLN A 4 -4.197 -14.982 -8.833 1.00 0.00 C ATOM 38 CD GLN A 4 -4.786 -15.829 -9.957 1.00 0.00 C ATOM 39 OE1 GLN A 4 -4.045 -16.432 -10.733 1.00 0.00 O ATOM 40 NE2 GLN A 4 -6.081 -15.911 -10.091 1.00 0.00 N ATOM 0 H GLN A 4 -5.684 -16.813 -6.778 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.157 -17.632 -8.193 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.622 -15.125 -7.359 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.322 -16.058 -8.811 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -4.981 -14.702 -8.129 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.789 -14.057 -9.240 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -6.693 -15.410 -9.447 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.481 -16.476 -10.840 1.00 0.00 H new ATOM 49 N ASN A 5 -2.795 -19.084 -6.603 1.00 0.00 N ATOM 50 CA ASN A 5 -1.813 -19.941 -5.948 1.00 0.00 C ATOM 51 C ASN A 5 -0.510 -19.965 -6.740 1.00 0.00 C ATOM 52 O ASN A 5 0.579 -20.009 -6.165 1.00 0.00 O ATOM 53 CB ASN A 5 -2.366 -21.361 -5.811 1.00 0.00 C ATOM 54 CG ASN A 5 -3.496 -21.386 -4.784 1.00 0.00 C ATOM 55 OD1 ASN A 5 -3.474 -20.557 -3.774 1.00 0.00 O flip ATOM 56 ND2 ASN A 5 -4.423 -22.187 -4.903 1.00 0.00 N flip ATOM 0 H ASN A 5 -3.623 -19.572 -6.945 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.610 -19.539 -4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.733 -21.712 -6.776 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.571 -22.042 -5.506 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.440 -22.834 -5.691 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.174 -22.204 -4.213 1.00 0.00 H new ATOM 63 N LYS A 6 -0.630 -19.943 -8.060 1.00 0.00 N ATOM 64 CA LYS A 6 0.540 -19.970 -8.928 1.00 0.00 C ATOM 65 C LYS A 6 1.405 -18.737 -8.692 1.00 0.00 C ATOM 66 O LYS A 6 2.634 -18.818 -8.703 1.00 0.00 O ATOM 67 CB LYS A 6 0.096 -20.013 -10.393 1.00 0.00 C ATOM 68 CG LYS A 6 -0.745 -21.273 -10.655 1.00 0.00 C ATOM 69 CD LYS A 6 0.166 -22.493 -10.846 1.00 0.00 C ATOM 70 CE LYS A 6 -0.689 -23.718 -11.171 1.00 0.00 C ATOM 71 NZ LYS A 6 -1.323 -23.537 -12.507 1.00 0.00 N ATOM 0 H LYS A 6 -1.522 -19.907 -8.553 1.00 0.00 H new ATOM 0 HA LYS A 6 1.125 -20.860 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.486 -19.122 -10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.969 -20.007 -11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.424 -21.445 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.361 -21.129 -11.542 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.877 -22.308 -11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.748 -22.671 -9.942 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.073 -24.617 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.455 -23.854 -10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.599 -24.464 -12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.167 -22.936 -12.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.646 -23.084 -13.154 1.00 0.00 H new ATOM 85 N GLU A 7 0.760 -17.597 -8.482 1.00 0.00 N ATOM 86 CA GLU A 7 1.486 -16.357 -8.248 1.00 0.00 C ATOM 87 C GLU A 7 2.410 -16.500 -7.042 1.00 0.00 C ATOM 88 O GLU A 7 3.539 -16.010 -7.052 1.00 0.00 O ATOM 89 CB GLU A 7 0.498 -15.214 -8.002 1.00 0.00 C ATOM 90 CG GLU A 7 1.262 -13.899 -7.832 1.00 0.00 C ATOM 91 CD GLU A 7 0.283 -12.747 -7.642 1.00 0.00 C ATOM 92 OE1 GLU A 7 -0.888 -12.938 -7.922 1.00 0.00 O ATOM 93 OE2 GLU A 7 0.720 -11.689 -7.220 1.00 0.00 O ATOM 0 H GLU A 7 -0.256 -17.506 -8.469 1.00 0.00 H new ATOM 0 HA GLU A 7 2.087 -16.135 -9.130 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.198 -15.136 -8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.095 -15.419 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.929 -13.965 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.886 -13.716 -8.707 1.00 0.00 H new ATOM 100 N GLU A 8 1.923 -17.173 -6.006 1.00 0.00 N ATOM 101 CA GLU A 8 2.717 -17.369 -4.798 1.00 0.00 C ATOM 102 C GLU A 8 3.999 -18.130 -5.119 1.00 0.00 C ATOM 103 O GLU A 8 5.062 -17.833 -4.575 1.00 0.00 O ATOM 104 CB GLU A 8 1.905 -18.150 -3.763 1.00 0.00 C ATOM 105 CG GLU A 8 0.743 -17.287 -3.265 1.00 0.00 C ATOM 106 CD GLU A 8 -0.139 -18.095 -2.321 1.00 0.00 C ATOM 107 OE1 GLU A 8 0.169 -19.254 -2.100 1.00 0.00 O ATOM 108 OE2 GLU A 8 -1.111 -17.542 -1.832 1.00 0.00 O ATOM 0 H GLU A 8 0.992 -17.589 -5.977 1.00 0.00 H new ATOM 0 HA GLU A 8 2.979 -16.391 -4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.524 -19.071 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.543 -18.437 -2.927 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.128 -16.406 -2.752 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.155 -16.932 -4.111 1.00 0.00 H new ATOM 115 N GLU A 9 3.891 -19.112 -6.009 1.00 0.00 N ATOM 116 CA GLU A 9 5.048 -19.907 -6.395 1.00 0.00 C ATOM 117 C GLU A 9 6.067 -19.047 -7.135 1.00 0.00 C ATOM 118 O GLU A 9 7.273 -19.178 -6.925 1.00 0.00 O ATOM 119 CB GLU A 9 4.609 -21.063 -7.295 1.00 0.00 C ATOM 120 CG GLU A 9 3.771 -22.050 -6.481 1.00 0.00 C ATOM 121 CD GLU A 9 3.237 -23.153 -7.390 1.00 0.00 C ATOM 122 OE1 GLU A 9 2.799 -22.832 -8.483 1.00 0.00 O ATOM 123 OE2 GLU A 9 3.274 -24.301 -6.981 1.00 0.00 O ATOM 0 H GLU A 9 3.021 -19.374 -6.472 1.00 0.00 H new ATOM 0 HA GLU A 9 5.510 -20.303 -5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.029 -20.684 -8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.482 -21.566 -7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.376 -22.484 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.942 -21.528 -6.003 1.00 0.00 H new ATOM 130 N LYS A 10 5.576 -18.170 -8.007 1.00 0.00 N ATOM 131 CA LYS A 10 6.458 -17.297 -8.774 1.00 0.00 C ATOM 132 C LYS A 10 6.832 -16.066 -7.956 1.00 0.00 C ATOM 133 O LYS A 10 5.962 -15.324 -7.501 1.00 0.00 O ATOM 134 CB LYS A 10 5.760 -16.859 -10.061 1.00 0.00 C ATOM 135 CG LYS A 10 6.748 -16.103 -10.952 1.00 0.00 C ATOM 136 CD LYS A 10 6.027 -15.580 -12.198 1.00 0.00 C ATOM 137 CE LYS A 10 5.498 -16.752 -13.033 1.00 0.00 C ATOM 138 NZ LYS A 10 5.316 -16.313 -14.444 1.00 0.00 N ATOM 0 H LYS A 10 4.582 -18.046 -8.199 1.00 0.00 H new ATOM 0 HA LYS A 10 7.366 -17.848 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.371 -17.729 -10.590 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.907 -16.222 -9.825 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.188 -15.273 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.566 -16.761 -11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.202 -14.931 -11.904 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.710 -14.977 -12.796 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.195 -17.589 -12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.551 -17.105 -12.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.957 -17.107 -15.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.635 -15.528 -14.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.229 -15.997 -14.830 1.00 0.00 H new ATOM 152 N LYS A 11 8.130 -15.854 -7.778 1.00 0.00 N ATOM 153 CA LYS A 11 8.606 -14.705 -7.016 1.00 0.00 C ATOM 154 C LYS A 11 8.236 -13.404 -7.717 1.00 0.00 C ATOM 155 O LYS A 11 7.774 -12.456 -7.080 1.00 0.00 O ATOM 156 CB LYS A 11 10.124 -14.782 -6.851 1.00 0.00 C ATOM 157 CG LYS A 11 10.477 -15.953 -5.934 1.00 0.00 C ATOM 158 CD LYS A 11 11.997 -16.049 -5.791 1.00 0.00 C ATOM 159 CE LYS A 11 12.352 -17.257 -4.922 1.00 0.00 C ATOM 160 NZ LYS A 11 11.886 -17.017 -3.527 1.00 0.00 N ATOM 0 H LYS A 11 8.866 -16.456 -8.147 1.00 0.00 H new ATOM 0 HA LYS A 11 8.131 -14.723 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.600 -14.911 -7.823 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.503 -13.850 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.017 -15.814 -4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.080 -16.882 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.460 -16.145 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.389 -15.137 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 11 11.886 -18.157 -5.323 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.429 -17.423 -4.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.364 -17.679 -2.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.111 -16.040 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.858 -17.164 -3.474 1.00 0.00 H new ATOM 174 N LYS A 12 8.444 -13.362 -9.031 1.00 0.00 N ATOM 175 CA LYS A 12 8.131 -12.165 -9.808 1.00 0.00 C ATOM 176 C LYS A 12 8.532 -10.903 -9.049 1.00 0.00 C ATOM 177 O LYS A 12 7.687 -10.071 -8.718 1.00 0.00 O ATOM 178 CB LYS A 12 6.631 -12.122 -10.122 1.00 0.00 C ATOM 179 CG LYS A 12 6.372 -11.165 -11.287 1.00 0.00 C ATOM 180 CD LYS A 12 4.893 -11.217 -11.671 1.00 0.00 C ATOM 181 CE LYS A 12 4.630 -10.230 -12.810 1.00 0.00 C ATOM 182 NZ LYS A 12 5.408 -10.645 -14.012 1.00 0.00 N ATOM 0 H LYS A 12 8.825 -14.136 -9.576 1.00 0.00 H new ATOM 0 HA LYS A 12 8.697 -12.205 -10.739 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.274 -13.121 -10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.075 -11.797 -9.242 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.650 -10.149 -11.006 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.990 -11.440 -12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.621 -12.226 -11.979 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.273 -10.969 -10.809 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.566 -10.202 -13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.917 -9.223 -12.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.994 -10.209 -14.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.396 -10.335 -13.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.378 -11.680 -14.105 1.00 0.00 H new ATOM 196 N VAL A 13 9.824 -10.772 -8.773 1.00 0.00 N ATOM 197 CA VAL A 13 10.320 -9.610 -8.046 1.00 0.00 C ATOM 198 C VAL A 13 10.042 -8.331 -8.827 1.00 0.00 C ATOM 199 O VAL A 13 9.626 -7.323 -8.257 1.00 0.00 O ATOM 200 CB VAL A 13 11.826 -9.748 -7.812 1.00 0.00 C ATOM 201 CG1 VAL A 13 12.103 -11.008 -6.990 1.00 0.00 C ATOM 202 CG2 VAL A 13 12.546 -9.853 -9.161 1.00 0.00 C ATOM 0 H VAL A 13 10.540 -11.448 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 13 9.804 -9.556 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 13 12.189 -8.874 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 13 13.176 -11.105 -6.824 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.592 -10.936 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.739 -11.882 -7.530 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.619 -9.951 -8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.181 -10.727 -9.701 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.351 -8.956 -9.748 1.00 0.00 H new ATOM 212 N LYS A 14 10.276 -8.382 -10.133 1.00 0.00 N ATOM 213 CA LYS A 14 10.050 -7.222 -10.987 1.00 0.00 C ATOM 214 C LYS A 14 10.797 -6.007 -10.441 1.00 0.00 C ATOM 215 O LYS A 14 11.286 -6.019 -9.313 1.00 0.00 O ATOM 216 CB LYS A 14 8.544 -6.917 -11.070 1.00 0.00 C ATOM 217 CG LYS A 14 8.238 -6.120 -12.345 1.00 0.00 C ATOM 218 CD LYS A 14 6.728 -5.928 -12.481 1.00 0.00 C ATOM 219 CE LYS A 14 6.442 -5.067 -13.711 1.00 0.00 C ATOM 220 NZ LYS A 14 6.893 -5.786 -14.936 1.00 0.00 N ATOM 0 H LYS A 14 10.620 -9.209 -10.622 1.00 0.00 H new ATOM 0 HA LYS A 14 10.426 -7.445 -11.986 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.976 -7.847 -11.068 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.231 -6.350 -10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.736 -5.151 -12.308 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.628 -6.646 -13.217 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.233 -6.895 -12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.328 -5.451 -11.587 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.376 -4.849 -13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.958 -4.111 -13.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.440 -5.365 -15.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.926 -5.706 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.628 -6.789 -14.867 1.00 0.00 H new ATOM 234 N LYS A 15 10.878 -4.959 -11.251 1.00 0.00 N ATOM 235 CA LYS A 15 11.564 -3.743 -10.841 1.00 0.00 C ATOM 236 C LYS A 15 10.895 -3.147 -9.607 1.00 0.00 C ATOM 237 O LYS A 15 11.569 -2.670 -8.694 1.00 0.00 O ATOM 238 CB LYS A 15 11.533 -2.722 -11.978 1.00 0.00 C ATOM 239 CG LYS A 15 12.420 -3.211 -13.125 1.00 0.00 C ATOM 240 CD LYS A 15 12.303 -2.254 -14.318 1.00 0.00 C ATOM 241 CE LYS A 15 13.092 -0.966 -14.045 1.00 0.00 C ATOM 242 NZ LYS A 15 13.233 -0.195 -15.311 1.00 0.00 N ATOM 0 H LYS A 15 10.480 -4.927 -12.189 1.00 0.00 H new ATOM 0 HA LYS A 15 12.598 -3.991 -10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.510 -2.583 -12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.882 -1.753 -11.621 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.457 -3.270 -12.795 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.123 -4.216 -13.423 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.682 -2.737 -15.219 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.255 -2.015 -14.500 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.579 -0.364 -13.295 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.075 -1.207 -13.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.767 0.678 -15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.740 -0.771 -16.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.290 0.047 -15.677 1.00 0.00 H new ATOM 256 N LEU A 16 9.567 -3.175 -9.589 1.00 0.00 N ATOM 257 CA LEU A 16 8.816 -2.633 -8.462 1.00 0.00 C ATOM 258 C LEU A 16 8.769 -3.634 -7.320 1.00 0.00 C ATOM 259 O LEU A 16 8.557 -4.828 -7.533 1.00 0.00 O ATOM 260 CB LEU A 16 7.390 -2.284 -8.909 1.00 0.00 C ATOM 261 CG LEU A 16 7.386 -0.940 -9.661 1.00 0.00 C ATOM 262 CD1 LEU A 16 7.648 0.229 -8.688 1.00 0.00 C ATOM 263 CD2 LEU A 16 8.468 -0.962 -10.747 1.00 0.00 C ATOM 0 H LEU A 16 8.992 -3.564 -10.336 1.00 0.00 H new ATOM 0 HA LEU A 16 9.316 -1.731 -8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.999 -3.072 -9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.732 -2.226 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 16 6.407 -0.796 -10.118 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.641 1.169 -9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.869 0.249 -7.926 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.619 0.095 -8.211 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.467 -0.012 -11.281 1.00 0.00 H new ATOM 0 HD22 LEU A 16 9.443 -1.118 -10.286 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.264 -1.772 -11.448 1.00 0.00 H new ATOM 275 N GLN A 17 8.966 -3.137 -6.100 1.00 0.00 N ATOM 276 CA GLN A 17 8.943 -3.994 -4.919 1.00 0.00 C ATOM 277 C GLN A 17 7.679 -3.734 -4.110 1.00 0.00 C ATOM 278 O GLN A 17 7.540 -2.689 -3.475 1.00 0.00 O ATOM 279 CB GLN A 17 10.171 -3.714 -4.050 1.00 0.00 C ATOM 280 CG GLN A 17 10.263 -4.761 -2.937 1.00 0.00 C ATOM 281 CD GLN A 17 10.563 -6.130 -3.538 1.00 0.00 C ATOM 282 OE1 GLN A 17 11.380 -6.243 -4.452 1.00 0.00 O ATOM 283 NE2 GLN A 17 9.936 -7.183 -3.090 1.00 0.00 N ATOM 0 H GLN A 17 9.142 -2.151 -5.905 1.00 0.00 H new ATOM 0 HA GLN A 17 8.956 -5.036 -5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.074 -3.737 -4.660 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.104 -2.715 -3.619 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.045 -4.485 -2.230 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.327 -4.796 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.259 -7.090 -2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.123 -8.099 -3.497 1.00 0.00 H new ATOM 292 N LYS A 18 6.765 -4.699 -4.133 1.00 0.00 N ATOM 293 CA LYS A 18 5.511 -4.582 -3.394 1.00 0.00 C ATOM 294 C LYS A 18 5.619 -5.306 -2.055 1.00 0.00 C ATOM 295 O LYS A 18 5.772 -6.526 -2.003 1.00 0.00 O ATOM 296 CB LYS A 18 4.365 -5.181 -4.217 1.00 0.00 C ATOM 297 CG LYS A 18 4.844 -6.460 -4.911 1.00 0.00 C ATOM 298 CD LYS A 18 3.645 -7.203 -5.507 1.00 0.00 C ATOM 299 CE LYS A 18 3.059 -6.398 -6.669 1.00 0.00 C ATOM 300 NZ LYS A 18 2.161 -7.272 -7.472 1.00 0.00 N ATOM 0 H LYS A 18 6.868 -5.570 -4.654 1.00 0.00 H new ATOM 0 HA LYS A 18 5.308 -3.527 -3.209 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.516 -5.402 -3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.021 -4.460 -4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.558 -6.213 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.363 -7.100 -4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.953 -8.189 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.885 -7.359 -4.741 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.505 -5.540 -6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.860 -6.007 -7.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.762 -6.727 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.703 -8.077 -7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.390 -7.624 -6.870 1.00 0.00 H new ATOM 314 N SER A 19 5.536 -4.543 -0.968 1.00 0.00 N ATOM 315 CA SER A 19 5.622 -5.114 0.376 1.00 0.00 C ATOM 316 C SER A 19 4.269 -5.024 1.067 1.00 0.00 C ATOM 317 O SER A 19 3.479 -4.123 0.787 1.00 0.00 O ATOM 318 CB SER A 19 6.666 -4.359 1.197 1.00 0.00 C ATOM 319 OG SER A 19 7.960 -4.636 0.674 1.00 0.00 O ATOM 0 H SER A 19 5.410 -3.531 -0.990 1.00 0.00 H new ATOM 0 HA SER A 19 5.915 -6.161 0.295 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.468 -3.288 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.611 -4.660 2.243 1.00 0.00 H new ATOM 0 HG SER A 19 8.634 -4.153 1.196 1.00 0.00 H new ATOM 325 N TYR A 20 4.007 -5.963 1.973 1.00 0.00 N ATOM 326 CA TYR A 20 2.743 -5.983 2.708 1.00 0.00 C ATOM 327 C TYR A 20 2.945 -5.430 4.115 1.00 0.00 C ATOM 328 O TYR A 20 3.778 -5.918 4.873 1.00 0.00 O ATOM 329 CB TYR A 20 2.214 -7.418 2.790 1.00 0.00 C ATOM 330 CG TYR A 20 1.787 -7.874 1.414 1.00 0.00 C ATOM 331 CD1 TYR A 20 0.605 -7.379 0.850 1.00 0.00 C ATOM 332 CD2 TYR A 20 2.570 -8.796 0.704 1.00 0.00 C ATOM 333 CE1 TYR A 20 0.207 -7.805 -0.422 1.00 0.00 C ATOM 334 CE2 TYR A 20 2.170 -9.218 -0.568 1.00 0.00 C ATOM 335 CZ TYR A 20 0.988 -8.723 -1.132 1.00 0.00 C ATOM 336 OH TYR A 20 0.593 -9.141 -2.385 1.00 0.00 O ATOM 0 H TYR A 20 4.649 -6.717 2.216 1.00 0.00 H new ATOM 0 HA TYR A 20 2.019 -5.360 2.182 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.986 -8.080 3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 20 1.371 -7.468 3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.001 -6.669 1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.481 -9.180 1.139 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.705 -7.424 -0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.774 -9.927 -1.116 1.00 0.00 H new ATOM 0 HH TYR A 20 1.248 -9.778 -2.739 1.00 0.00 H new ATOM 346 N PHE A 21 2.175 -4.402 4.458 1.00 0.00 N ATOM 347 CA PHE A 21 2.276 -3.782 5.779 1.00 0.00 C ATOM 348 C PHE A 21 1.061 -4.156 6.621 1.00 0.00 C ATOM 349 O PHE A 21 -0.079 -3.951 6.203 1.00 0.00 O ATOM 350 CB PHE A 21 2.346 -2.261 5.627 1.00 0.00 C ATOM 351 CG PHE A 21 3.499 -1.904 4.715 1.00 0.00 C ATOM 352 CD1 PHE A 21 3.361 -2.057 3.329 1.00 0.00 C ATOM 353 CD2 PHE A 21 4.703 -1.422 5.250 1.00 0.00 C ATOM 354 CE1 PHE A 21 4.424 -1.726 2.480 1.00 0.00 C ATOM 355 CE2 PHE A 21 5.765 -1.089 4.398 1.00 0.00 C ATOM 356 CZ PHE A 21 5.624 -1.244 3.014 1.00 0.00 C ATOM 0 H PHE A 21 1.477 -3.981 3.845 1.00 0.00 H new ATOM 0 HA PHE A 21 3.179 -4.140 6.275 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.411 -1.881 5.216 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.479 -1.792 6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.435 -2.430 2.916 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.812 -1.308 6.318 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.318 -1.843 1.412 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.691 -0.713 4.809 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.443 -0.991 2.357 1.00 0.00 H new ATOM 366 N ASP A 22 1.308 -4.705 7.806 1.00 0.00 N ATOM 367 CA ASP A 22 0.223 -5.107 8.693 1.00 0.00 C ATOM 368 C ASP A 22 -0.212 -3.930 9.556 1.00 0.00 C ATOM 369 O ASP A 22 0.517 -3.504 10.453 1.00 0.00 O ATOM 370 CB ASP A 22 0.690 -6.251 9.594 1.00 0.00 C ATOM 371 CG ASP A 22 -0.504 -6.860 10.321 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.590 -6.320 10.190 1.00 0.00 O ATOM 373 OD2 ASP A 22 -0.315 -7.859 10.994 1.00 0.00 O ATOM 0 H ASP A 22 2.244 -4.881 8.172 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.621 -5.439 8.088 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.191 -7.013 8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.418 -5.882 10.317 1.00 0.00 H new ATOM 378 N VAL A 23 -1.404 -3.406 9.279 1.00 0.00 N ATOM 379 CA VAL A 23 -1.933 -2.273 10.036 1.00 0.00 C ATOM 380 C VAL A 23 -2.925 -2.750 11.089 1.00 0.00 C ATOM 381 O VAL A 23 -4.014 -3.221 10.762 1.00 0.00 O ATOM 382 CB VAL A 23 -2.630 -1.295 9.090 1.00 0.00 C ATOM 383 CG1 VAL A 23 -2.997 -0.022 9.854 1.00 0.00 C ATOM 384 CG2 VAL A 23 -1.686 -0.942 7.939 1.00 0.00 C ATOM 0 H VAL A 23 -2.019 -3.745 8.540 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.102 -1.773 10.533 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.535 -1.755 8.692 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.494 0.676 9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.667 -0.272 10.677 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.092 0.438 10.250 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.181 -0.245 7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.782 -0.481 8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.421 -1.848 7.395 1.00 0.00 H new ATOM 394 N LEU A 24 -2.540 -2.627 12.359 1.00 0.00 N ATOM 395 CA LEU A 24 -3.402 -3.049 13.463 1.00 0.00 C ATOM 396 C LEU A 24 -4.217 -1.865 13.981 1.00 0.00 C ATOM 397 O LEU A 24 -5.268 -2.047 14.593 1.00 0.00 O ATOM 398 CB LEU A 24 -2.544 -3.623 14.598 1.00 0.00 C ATOM 399 CG LEU A 24 -2.136 -5.062 14.257 1.00 0.00 C ATOM 400 CD1 LEU A 24 -1.387 -5.081 12.919 1.00 0.00 C ATOM 401 CD2 LEU A 24 -1.228 -5.608 15.362 1.00 0.00 C ATOM 0 H LEU A 24 -1.641 -2.241 12.648 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.087 -3.816 13.102 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.656 -3.007 14.744 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.102 -3.605 15.534 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.028 -5.684 14.179 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.098 -6.104 12.678 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.035 -4.693 12.134 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.495 -4.460 12.993 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.937 -6.631 15.122 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.336 -4.986 15.441 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.763 -5.597 16.311 1.00 0.00 H new ATOM 413 N GLY A 25 -3.722 -0.656 13.734 1.00 0.00 N ATOM 414 CA GLY A 25 -4.413 0.548 14.181 1.00 0.00 C ATOM 415 C GLY A 25 -5.507 0.945 13.198 1.00 0.00 C ATOM 416 O GLY A 25 -5.933 2.100 13.163 1.00 0.00 O ATOM 0 H GLY A 25 -2.852 -0.485 13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.848 0.378 15.166 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.698 1.365 14.285 1.00 0.00 H new ATOM 420 N ILE A 26 -5.962 -0.020 12.402 1.00 0.00 N ATOM 421 CA ILE A 26 -7.013 0.237 11.423 1.00 0.00 C ATOM 422 C ILE A 26 -8.386 0.061 12.060 1.00 0.00 C ATOM 423 O ILE A 26 -8.648 -0.938 12.729 1.00 0.00 O ATOM 424 CB ILE A 26 -6.878 -0.728 10.242 1.00 0.00 C ATOM 425 CG1 ILE A 26 -7.966 -0.417 9.210 1.00 0.00 C ATOM 426 CG2 ILE A 26 -7.037 -2.165 10.738 1.00 0.00 C ATOM 427 CD1 ILE A 26 -7.692 -1.197 7.922 1.00 0.00 C ATOM 0 H ILE A 26 -5.621 -0.981 12.416 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.910 1.263 11.070 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.896 -0.612 9.783 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.945 -0.684 9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.988 0.653 9.001 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.941 -2.853 9.898 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.264 -2.383 11.475 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.019 -2.286 11.195 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.468 -0.974 7.189 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.720 -0.908 7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.692 -2.266 8.137 1.00 0.00 H new ATOM 439 N CYS A 27 -9.261 1.040 11.843 1.00 0.00 N ATOM 440 CA CYS A 27 -10.619 1.000 12.389 1.00 0.00 C ATOM 441 C CYS A 27 -11.633 1.054 11.254 1.00 0.00 C ATOM 442 O CYS A 27 -11.493 1.848 10.325 1.00 0.00 O ATOM 443 CB CYS A 27 -10.831 2.182 13.346 1.00 0.00 C ATOM 444 SG CYS A 27 -12.603 2.493 13.576 1.00 0.00 S ATOM 0 H CYS A 27 -9.055 1.873 11.292 1.00 0.00 H new ATOM 0 HA CYS A 27 -10.757 0.071 12.942 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -10.364 1.969 14.308 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -10.347 3.073 12.947 1.00 0.00 H new ATOM 449 N CYS A 28 -12.651 0.202 11.337 1.00 0.00 N ATOM 450 CA CYS A 28 -13.691 0.155 10.313 1.00 0.00 C ATOM 451 C CYS A 28 -13.084 0.338 8.919 1.00 0.00 C ATOM 452 O CYS A 28 -12.013 -0.198 8.628 1.00 0.00 O ATOM 453 CB CYS A 28 -14.734 1.244 10.592 1.00 0.00 C ATOM 454 SG CYS A 28 -14.066 2.857 10.126 1.00 0.00 S ATOM 0 H CYS A 28 -12.778 -0.463 12.100 1.00 0.00 H new ATOM 0 HA CYS A 28 -14.176 -0.821 10.344 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -15.646 1.041 10.030 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -15.003 1.242 11.648 1.00 0.00 H new ATOM 459 N THR A 29 -13.765 1.098 8.063 1.00 0.00 N ATOM 460 CA THR A 29 -13.286 1.351 6.703 1.00 0.00 C ATOM 461 C THR A 29 -13.386 2.837 6.362 1.00 0.00 C ATOM 462 O THR A 29 -12.961 3.268 5.290 1.00 0.00 O ATOM 463 CB THR A 29 -14.116 0.539 5.711 1.00 0.00 C ATOM 464 OG1 THR A 29 -14.024 1.127 4.423 1.00 0.00 O ATOM 465 CG2 THR A 29 -15.576 0.514 6.162 1.00 0.00 C ATOM 0 H THR A 29 -14.651 1.550 8.287 1.00 0.00 H new ATOM 0 HA THR A 29 -12.240 1.051 6.640 1.00 0.00 H new ATOM 0 HB THR A 29 -13.735 -0.481 5.671 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.392 1.876 4.450 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.166 -0.066 5.452 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.644 0.057 7.149 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.961 1.533 6.206 1.00 0.00 H new ATOM 473 N SER A 30 -13.956 3.615 7.278 1.00 0.00 N ATOM 474 CA SER A 30 -14.111 5.049 7.065 1.00 0.00 C ATOM 475 C SER A 30 -12.749 5.729 6.970 1.00 0.00 C ATOM 476 O SER A 30 -12.636 6.843 6.459 1.00 0.00 O ATOM 477 CB SER A 30 -14.906 5.669 8.217 1.00 0.00 C ATOM 478 OG SER A 30 -14.201 5.472 9.436 1.00 0.00 O ATOM 0 H SER A 30 -14.316 3.278 8.171 1.00 0.00 H new ATOM 0 HA SER A 30 -14.648 5.198 6.128 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.056 6.734 8.039 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.895 5.214 8.278 1.00 0.00 H new ATOM 0 HG SER A 30 -13.789 4.583 9.436 1.00 0.00 H new ATOM 484 N GLU A 31 -11.716 5.050 7.472 1.00 0.00 N ATOM 485 CA GLU A 31 -10.358 5.592 7.445 1.00 0.00 C ATOM 486 C GLU A 31 -9.666 5.230 6.137 1.00 0.00 C ATOM 487 O GLU A 31 -8.494 5.546 5.933 1.00 0.00 O ATOM 488 CB GLU A 31 -9.540 5.048 8.623 1.00 0.00 C ATOM 489 CG GLU A 31 -10.060 5.634 9.945 1.00 0.00 C ATOM 490 CD GLU A 31 -11.315 4.888 10.385 1.00 0.00 C ATOM 491 OE1 GLU A 31 -11.769 4.058 9.626 1.00 0.00 O ATOM 492 OE2 GLU A 31 -11.806 5.164 11.470 1.00 0.00 O ATOM 0 H GLU A 31 -11.794 4.128 7.900 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.424 6.677 7.526 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.605 3.960 8.649 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -8.488 5.302 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.292 5.557 10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.281 6.694 9.821 1.00 0.00 H new ATOM 499 N VAL A 32 -10.408 4.590 5.241 1.00 0.00 N ATOM 500 CA VAL A 32 -9.865 4.225 3.939 1.00 0.00 C ATOM 501 C VAL A 32 -9.208 5.451 3.291 1.00 0.00 C ATOM 502 O VAL A 32 -8.030 5.408 2.933 1.00 0.00 O ATOM 503 CB VAL A 32 -10.988 3.668 3.030 1.00 0.00 C ATOM 504 CG1 VAL A 32 -10.647 3.887 1.543 1.00 0.00 C ATOM 505 CG2 VAL A 32 -11.168 2.170 3.285 1.00 0.00 C ATOM 0 H VAL A 32 -11.379 4.315 5.390 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.111 3.449 4.069 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.910 4.199 3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.450 3.488 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.535 4.954 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.715 3.374 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -11.959 1.784 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.236 1.649 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.437 2.008 4.329 1.00 0.00 H new ATOM 515 N PRO A 33 -9.942 6.533 3.121 1.00 0.00 N ATOM 516 CA PRO A 33 -9.399 7.772 2.484 1.00 0.00 C ATOM 517 C PRO A 33 -8.189 8.321 3.238 1.00 0.00 C ATOM 518 O PRO A 33 -7.281 8.900 2.641 1.00 0.00 O ATOM 519 CB PRO A 33 -10.590 8.761 2.531 1.00 0.00 C ATOM 520 CG PRO A 33 -11.503 8.224 3.582 1.00 0.00 C ATOM 521 CD PRO A 33 -11.356 6.714 3.505 1.00 0.00 C ATOM 0 HA PRO A 33 -9.037 7.592 1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.256 9.769 2.777 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -11.092 8.819 1.565 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -11.229 8.596 4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.534 8.529 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.578 6.238 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.032 6.280 2.768 1.00 0.00 H new ATOM 529 N ILE A 34 -8.189 8.133 4.548 1.00 0.00 N ATOM 530 CA ILE A 34 -7.095 8.612 5.380 1.00 0.00 C ATOM 531 C ILE A 34 -5.822 7.829 5.086 1.00 0.00 C ATOM 532 O ILE A 34 -4.737 8.403 4.989 1.00 0.00 O ATOM 533 CB ILE A 34 -7.457 8.479 6.861 1.00 0.00 C ATOM 534 CG1 ILE A 34 -8.808 9.168 7.126 1.00 0.00 C ATOM 535 CG2 ILE A 34 -6.373 9.135 7.719 1.00 0.00 C ATOM 536 CD1 ILE A 34 -8.779 10.630 6.658 1.00 0.00 C ATOM 0 H ILE A 34 -8.931 7.654 5.058 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.923 9.664 5.150 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.531 7.422 7.119 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.602 8.632 6.607 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.039 9.127 8.190 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.635 9.038 8.773 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.417 8.644 7.536 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.294 10.191 7.461 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.745 11.095 6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.000 11.169 7.197 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -8.572 10.666 5.588 1.00 0.00 H new ATOM 548 N ILE A 35 -5.960 6.517 4.956 1.00 0.00 N ATOM 549 CA ILE A 35 -4.811 5.667 4.684 1.00 0.00 C ATOM 550 C ILE A 35 -4.195 6.023 3.335 1.00 0.00 C ATOM 551 O ILE A 35 -2.977 6.122 3.208 1.00 0.00 O ATOM 552 CB ILE A 35 -5.245 4.198 4.676 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.687 3.790 6.083 1.00 0.00 C ATOM 554 CG2 ILE A 35 -4.068 3.319 4.242 1.00 0.00 C ATOM 555 CD1 ILE A 35 -6.374 2.424 6.024 1.00 0.00 C ATOM 0 H ILE A 35 -6.848 6.022 5.034 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.067 5.824 5.465 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.073 4.069 3.979 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.825 3.747 6.749 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.369 4.535 6.492 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.377 2.274 4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.748 3.608 3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.240 3.449 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.689 2.132 7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.245 2.483 5.372 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.677 1.683 5.633 1.00 0.00 H new ATOM 567 N GLU A 36 -5.044 6.215 2.333 1.00 0.00 N ATOM 568 CA GLU A 36 -4.567 6.554 0.998 1.00 0.00 C ATOM 569 C GLU A 36 -3.894 7.922 1.004 1.00 0.00 C ATOM 570 O GLU A 36 -2.937 8.155 0.269 1.00 0.00 O ATOM 571 CB GLU A 36 -5.737 6.564 0.013 1.00 0.00 C ATOM 572 CG GLU A 36 -6.313 5.152 -0.110 1.00 0.00 C ATOM 573 CD GLU A 36 -7.507 5.157 -1.058 1.00 0.00 C ATOM 574 OE1 GLU A 36 -7.803 6.209 -1.601 1.00 0.00 O ATOM 575 OE2 GLU A 36 -8.109 4.109 -1.227 1.00 0.00 O ATOM 0 H GLU A 36 -6.058 6.143 2.418 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.839 5.803 0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.508 7.254 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.402 6.918 -0.962 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.548 4.469 -0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.619 4.788 0.871 1.00 0.00 H new ATOM 582 N ASN A 37 -4.402 8.820 1.838 1.00 0.00 N ATOM 583 CA ASN A 37 -3.849 10.167 1.932 1.00 0.00 C ATOM 584 C ASN A 37 -2.396 10.123 2.392 1.00 0.00 C ATOM 585 O ASN A 37 -1.560 10.888 1.911 1.00 0.00 O ATOM 586 CB ASN A 37 -4.670 11.006 2.912 1.00 0.00 C ATOM 587 CG ASN A 37 -4.118 12.426 2.972 1.00 0.00 C ATOM 588 OD1 ASN A 37 -3.457 12.875 2.035 1.00 0.00 O ATOM 589 ND2 ASN A 37 -4.354 13.166 4.020 1.00 0.00 N ATOM 0 H ASN A 37 -5.193 8.642 2.457 1.00 0.00 H new ATOM 0 HA ASN A 37 -3.891 10.622 0.942 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.714 11.026 2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.642 10.554 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.991 14.118 4.064 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.902 12.792 4.795 1.00 0.00 H new ATOM 596 N ILE A 38 -2.102 9.226 3.324 1.00 0.00 N ATOM 597 CA ILE A 38 -0.746 9.097 3.845 1.00 0.00 C ATOM 598 C ILE A 38 0.213 8.673 2.734 1.00 0.00 C ATOM 599 O ILE A 38 1.309 9.216 2.608 1.00 0.00 O ATOM 600 CB ILE A 38 -0.722 8.060 4.973 1.00 0.00 C ATOM 601 CG1 ILE A 38 -1.507 8.598 6.175 1.00 0.00 C ATOM 602 CG2 ILE A 38 0.724 7.793 5.395 1.00 0.00 C ATOM 603 CD1 ILE A 38 -1.733 7.473 7.191 1.00 0.00 C ATOM 0 H ILE A 38 -2.778 8.581 3.733 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.426 10.064 4.234 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.176 7.133 4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.960 9.417 6.641 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.465 9.001 5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.739 7.055 6.197 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.288 7.413 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.178 8.720 5.746 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.291 7.860 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.298 6.668 6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.770 7.091 7.531 1.00 0.00 H new ATOM 615 N LEU A 39 -0.208 7.703 1.931 1.00 0.00 N ATOM 616 CA LEU A 39 0.622 7.219 0.831 1.00 0.00 C ATOM 617 C LEU A 39 0.838 8.317 -0.207 1.00 0.00 C ATOM 618 O LEU A 39 1.925 8.446 -0.772 1.00 0.00 O ATOM 619 CB LEU A 39 -0.035 5.993 0.176 1.00 0.00 C ATOM 620 CG LEU A 39 0.389 4.717 0.911 1.00 0.00 C ATOM 621 CD1 LEU A 39 -0.026 4.802 2.377 1.00 0.00 C ATOM 622 CD2 LEU A 39 -0.288 3.513 0.261 1.00 0.00 C ATOM 0 H LEU A 39 -1.112 7.238 2.018 1.00 0.00 H new ATOM 0 HA LEU A 39 1.594 6.931 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.120 6.094 0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.255 5.932 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 39 1.472 4.608 0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.278 3.892 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.455 5.662 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.108 4.912 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.011 2.603 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.370 3.627 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.011 3.448 -0.785 1.00 0.00 H new ATOM 634 N LYS A 40 -0.202 9.096 -0.459 1.00 0.00 N ATOM 635 CA LYS A 40 -0.115 10.168 -1.440 1.00 0.00 C ATOM 636 C LYS A 40 1.002 11.138 -1.074 1.00 0.00 C ATOM 637 O LYS A 40 1.666 11.690 -1.951 1.00 0.00 O ATOM 638 CB LYS A 40 -1.448 10.921 -1.511 1.00 0.00 C ATOM 639 CG LYS A 40 -2.475 10.081 -2.279 1.00 0.00 C ATOM 640 CD LYS A 40 -3.840 10.781 -2.262 1.00 0.00 C ATOM 641 CE LYS A 40 -3.866 11.919 -3.288 1.00 0.00 C ATOM 642 NZ LYS A 40 -5.257 12.434 -3.419 1.00 0.00 N ATOM 0 H LYS A 40 -1.110 9.008 -0.002 1.00 0.00 H new ATOM 0 HA LYS A 40 0.105 9.729 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.813 11.129 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.308 11.883 -2.005 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.144 9.936 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.558 9.092 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.628 10.062 -2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.042 11.175 -1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.197 12.721 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.506 11.562 -4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.277 13.207 -4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.883 11.666 -3.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.584 12.789 -2.498 1.00 0.00 H new ATOM 656 N SER A 41 1.201 11.347 0.221 1.00 0.00 N ATOM 657 CA SER A 41 2.239 12.261 0.679 1.00 0.00 C ATOM 658 C SER A 41 3.605 11.823 0.152 1.00 0.00 C ATOM 659 O SER A 41 4.520 12.635 0.024 1.00 0.00 O ATOM 660 CB SER A 41 2.270 12.291 2.206 1.00 0.00 C ATOM 661 OG SER A 41 2.769 11.050 2.689 1.00 0.00 O ATOM 0 H SER A 41 0.664 10.902 0.965 1.00 0.00 H new ATOM 0 HA SER A 41 2.014 13.258 0.300 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.901 13.110 2.553 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.269 12.471 2.598 1.00 0.00 H new ATOM 0 HG SER A 41 2.269 10.314 2.278 1.00 0.00 H new ATOM 667 N LEU A 42 3.731 10.533 -0.153 1.00 0.00 N ATOM 668 CA LEU A 42 4.988 9.997 -0.665 1.00 0.00 C ATOM 669 C LEU A 42 5.116 10.283 -2.156 1.00 0.00 C ATOM 670 O LEU A 42 4.390 11.114 -2.702 1.00 0.00 O ATOM 671 CB LEU A 42 5.046 8.488 -0.427 1.00 0.00 C ATOM 672 CG LEU A 42 4.812 8.194 1.060 1.00 0.00 C ATOM 673 CD1 LEU A 42 4.796 6.681 1.284 1.00 0.00 C ATOM 674 CD2 LEU A 42 5.930 8.829 1.905 1.00 0.00 C ATOM 0 H LEU A 42 2.984 9.845 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 42 5.812 10.479 -0.139 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.291 7.985 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.015 8.097 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 42 3.854 8.618 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.630 6.471 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.995 6.234 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.752 6.257 0.976 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.755 8.615 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.893 8.415 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.935 9.908 1.750 1.00 0.00 H new ATOM 686 N ASP A 43 6.049 9.592 -2.810 1.00 0.00 N ATOM 687 CA ASP A 43 6.270 9.782 -4.243 1.00 0.00 C ATOM 688 C ASP A 43 6.629 8.461 -4.916 1.00 0.00 C ATOM 689 O ASP A 43 5.994 8.060 -5.891 1.00 0.00 O ATOM 690 CB ASP A 43 7.399 10.788 -4.465 1.00 0.00 C ATOM 691 CG ASP A 43 8.663 10.317 -3.755 1.00 0.00 C ATOM 692 OD1 ASP A 43 8.536 9.643 -2.746 1.00 0.00 O ATOM 693 OD2 ASP A 43 9.740 10.633 -4.232 1.00 0.00 O ATOM 0 H ASP A 43 6.660 8.901 -2.375 1.00 0.00 H new ATOM 0 HA ASP A 43 5.348 10.160 -4.684 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.592 10.901 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.104 11.767 -4.089 1.00 0.00 H new ATOM 698 N GLY A 44 7.648 7.792 -4.392 1.00 0.00 N ATOM 699 CA GLY A 44 8.082 6.518 -4.956 1.00 0.00 C ATOM 700 C GLY A 44 6.905 5.562 -5.106 1.00 0.00 C ATOM 701 O GLY A 44 6.989 4.567 -5.827 1.00 0.00 O ATOM 0 H GLY A 44 8.186 8.106 -3.584 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.546 6.685 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.840 6.070 -4.313 1.00 0.00 H new ATOM 705 N VAL A 45 5.804 5.869 -4.425 1.00 0.00 N ATOM 706 CA VAL A 45 4.615 5.028 -4.498 1.00 0.00 C ATOM 707 C VAL A 45 3.903 5.220 -5.831 1.00 0.00 C ATOM 708 O VAL A 45 3.666 6.346 -6.267 1.00 0.00 O ATOM 709 CB VAL A 45 3.659 5.371 -3.356 1.00 0.00 C ATOM 710 CG1 VAL A 45 4.383 5.215 -2.020 1.00 0.00 C ATOM 711 CG2 VAL A 45 3.186 6.816 -3.512 1.00 0.00 C ATOM 0 H VAL A 45 5.711 6.686 -3.822 1.00 0.00 H new ATOM 0 HA VAL A 45 4.927 3.987 -4.411 1.00 0.00 H new ATOM 0 HB VAL A 45 2.801 4.699 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.701 5.460 -1.206 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.725 4.186 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.240 5.888 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.504 7.065 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.046 7.485 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.671 6.929 -4.466 1.00 0.00 H new ATOM 721 N LYS A 46 3.566 4.109 -6.481 1.00 0.00 N ATOM 722 CA LYS A 46 2.880 4.154 -7.772 1.00 0.00 C ATOM 723 C LYS A 46 1.387 3.910 -7.593 1.00 0.00 C ATOM 724 O LYS A 46 0.561 4.690 -8.064 1.00 0.00 O ATOM 725 CB LYS A 46 3.466 3.091 -8.701 1.00 0.00 C ATOM 726 CG LYS A 46 4.968 3.335 -8.894 1.00 0.00 C ATOM 727 CD LYS A 46 5.207 4.675 -9.607 1.00 0.00 C ATOM 728 CE LYS A 46 6.600 4.681 -10.240 1.00 0.00 C ATOM 729 NZ LYS A 46 7.630 4.579 -9.169 1.00 0.00 N ATOM 0 H LYS A 46 3.756 3.168 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 46 3.022 5.142 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.301 2.099 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.958 3.118 -9.665 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.470 3.336 -7.926 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.403 2.523 -9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.448 4.830 -10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.116 5.497 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.699 3.848 -10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.746 5.595 -10.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 8.572 4.752 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 7.435 5.286 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.603 3.627 -8.751 1.00 0.00 H new ATOM 743 N GLU A 47 1.047 2.821 -6.911 1.00 0.00 N ATOM 744 CA GLU A 47 -0.352 2.480 -6.675 1.00 0.00 C ATOM 745 C GLU A 47 -0.501 1.692 -5.380 1.00 0.00 C ATOM 746 O GLU A 47 0.463 1.118 -4.872 1.00 0.00 O ATOM 747 CB GLU A 47 -0.892 1.656 -7.844 1.00 0.00 C ATOM 748 CG GLU A 47 0.100 0.546 -8.188 1.00 0.00 C ATOM 749 CD GLU A 47 -0.447 -0.308 -9.325 1.00 0.00 C ATOM 750 OE1 GLU A 47 -1.655 -0.462 -9.397 1.00 0.00 O ATOM 751 OE2 GLU A 47 0.350 -0.795 -10.112 1.00 0.00 O ATOM 0 H GLU A 47 1.717 2.162 -6.514 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.923 3.405 -6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.859 1.226 -7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.052 2.297 -8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.058 0.979 -8.476 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.282 -0.075 -7.311 1.00 0.00 H new ATOM 758 N TYR A 48 -1.718 1.673 -4.852 1.00 0.00 N ATOM 759 CA TYR A 48 -2.000 0.958 -3.614 1.00 0.00 C ATOM 760 C TYR A 48 -3.487 0.665 -3.482 1.00 0.00 C ATOM 761 O TYR A 48 -4.314 1.283 -4.153 1.00 0.00 O ATOM 762 CB TYR A 48 -1.517 1.781 -2.413 1.00 0.00 C ATOM 763 CG TYR A 48 -1.927 3.223 -2.604 1.00 0.00 C ATOM 764 CD1 TYR A 48 -3.266 3.602 -2.449 1.00 0.00 C ATOM 765 CD2 TYR A 48 -0.964 4.183 -2.946 1.00 0.00 C ATOM 766 CE1 TYR A 48 -3.642 4.938 -2.633 1.00 0.00 C ATOM 767 CE2 TYR A 48 -1.341 5.518 -3.128 1.00 0.00 C ATOM 768 CZ TYR A 48 -2.679 5.895 -2.973 1.00 0.00 C ATOM 769 OH TYR A 48 -3.050 7.212 -3.153 1.00 0.00 O ATOM 0 H TYR A 48 -2.525 2.144 -5.261 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.466 0.008 -3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.945 1.387 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.434 1.708 -2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.009 2.863 -2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.069 3.892 -3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.675 5.230 -2.513 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -0.598 6.258 -3.388 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.822 7.415 -2.584 1.00 0.00 H new ATOM 779 N SER A 49 -3.821 -0.282 -2.610 1.00 0.00 N ATOM 780 CA SER A 49 -5.215 -0.653 -2.387 1.00 0.00 C ATOM 781 C SER A 49 -5.441 -1.018 -0.925 1.00 0.00 C ATOM 782 O SER A 49 -4.627 -1.711 -0.316 1.00 0.00 O ATOM 783 CB SER A 49 -5.580 -1.847 -3.272 1.00 0.00 C ATOM 784 OG SER A 49 -6.995 -1.976 -3.321 1.00 0.00 O ATOM 0 H SER A 49 -3.149 -0.805 -2.048 1.00 0.00 H new ATOM 0 HA SER A 49 -5.847 0.198 -2.641 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.180 -1.706 -4.276 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.133 -2.759 -2.876 1.00 0.00 H new ATOM 0 HG SER A 49 -7.235 -2.738 -3.888 1.00 0.00 H new ATOM 790 N VAL A 50 -6.555 -0.548 -0.366 1.00 0.00 N ATOM 791 CA VAL A 50 -6.886 -0.831 1.028 1.00 0.00 C ATOM 792 C VAL A 50 -7.846 -2.007 1.110 1.00 0.00 C ATOM 793 O VAL A 50 -8.975 -1.935 0.618 1.00 0.00 O ATOM 794 CB VAL A 50 -7.531 0.399 1.665 1.00 0.00 C ATOM 795 CG1 VAL A 50 -7.627 0.194 3.177 1.00 0.00 C ATOM 796 CG2 VAL A 50 -6.674 1.630 1.370 1.00 0.00 C ATOM 0 H VAL A 50 -7.240 0.028 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.970 -1.080 1.564 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.530 0.544 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.087 1.070 3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.235 -0.686 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.628 0.052 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.132 2.509 1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.676 1.486 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.602 1.773 0.292 1.00 0.00 H new ATOM 806 N ILE A 51 -7.392 -3.095 1.734 1.00 0.00 N ATOM 807 CA ILE A 51 -8.217 -4.291 1.880 1.00 0.00 C ATOM 808 C ILE A 51 -8.597 -4.490 3.338 1.00 0.00 C ATOM 809 O ILE A 51 -7.896 -5.164 4.099 1.00 0.00 O ATOM 810 CB ILE A 51 -7.452 -5.522 1.386 1.00 0.00 C ATOM 811 CG1 ILE A 51 -6.990 -5.292 -0.051 1.00 0.00 C ATOM 812 CG2 ILE A 51 -8.366 -6.749 1.422 1.00 0.00 C ATOM 813 CD1 ILE A 51 -6.030 -6.411 -0.458 1.00 0.00 C ATOM 0 H ILE A 51 -6.461 -3.171 2.144 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.121 -4.162 1.284 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.590 -5.688 2.032 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.848 -5.271 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.496 -4.324 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.817 -7.622 1.070 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.704 -6.921 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.229 -6.579 0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.698 -6.250 -1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.167 -6.410 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.540 -7.372 -0.388 1.00 0.00 H new ATOM 825 N VAL A 52 -9.738 -3.922 3.702 1.00 0.00 N ATOM 826 CA VAL A 52 -10.277 -4.050 5.047 1.00 0.00 C ATOM 827 C VAL A 52 -10.876 -5.449 5.243 1.00 0.00 C ATOM 828 O VAL A 52 -10.830 -5.996 6.348 1.00 0.00 O ATOM 829 CB VAL A 52 -11.350 -2.937 5.327 1.00 0.00 C ATOM 830 CG1 VAL A 52 -11.351 -1.895 4.190 1.00 0.00 C ATOM 831 CG2 VAL A 52 -12.782 -3.528 5.482 1.00 0.00 C ATOM 0 H VAL A 52 -10.314 -3.361 3.075 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.465 -3.917 5.762 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.076 -2.461 6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.099 -1.130 4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.367 -1.431 4.121 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.587 -2.387 3.246 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.490 -2.722 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.063 -4.046 4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -12.797 -4.231 6.315 1.00 0.00 H new ATOM 841 N PRO A 53 -11.469 -6.021 4.210 1.00 0.00 N ATOM 842 CA PRO A 53 -12.130 -7.356 4.313 1.00 0.00 C ATOM 843 C PRO A 53 -11.181 -8.427 4.842 1.00 0.00 C ATOM 844 O PRO A 53 -11.585 -9.309 5.600 1.00 0.00 O ATOM 845 CB PRO A 53 -12.574 -7.662 2.868 1.00 0.00 C ATOM 846 CG PRO A 53 -12.664 -6.330 2.202 1.00 0.00 C ATOM 847 CD PRO A 53 -11.563 -5.494 2.831 1.00 0.00 C ATOM 0 HA PRO A 53 -12.961 -7.349 5.018 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.856 -8.308 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.534 -8.178 2.851 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.524 -6.418 1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.642 -5.876 2.360 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.620 -5.604 2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -11.812 -4.433 2.824 1.00 0.00 H new ATOM 855 N SER A 54 -9.920 -8.341 4.429 1.00 0.00 N ATOM 856 CA SER A 54 -8.905 -9.304 4.849 1.00 0.00 C ATOM 857 C SER A 54 -7.895 -8.646 5.782 1.00 0.00 C ATOM 858 O SER A 54 -6.935 -9.283 6.216 1.00 0.00 O ATOM 859 CB SER A 54 -8.182 -9.861 3.624 1.00 0.00 C ATOM 860 OG SER A 54 -7.402 -8.833 3.030 1.00 0.00 O ATOM 0 H SER A 54 -9.575 -7.613 3.803 1.00 0.00 H new ATOM 0 HA SER A 54 -9.398 -10.116 5.383 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.544 -10.696 3.913 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.905 -10.246 2.905 1.00 0.00 H new ATOM 0 HG SER A 54 -6.936 -9.188 2.245 1.00 0.00 H new ATOM 866 N ARG A 55 -8.117 -7.371 6.085 1.00 0.00 N ATOM 867 CA ARG A 55 -7.218 -6.637 6.970 1.00 0.00 C ATOM 868 C ARG A 55 -5.789 -6.692 6.452 1.00 0.00 C ATOM 869 O ARG A 55 -4.867 -7.060 7.179 1.00 0.00 O ATOM 870 CB ARG A 55 -7.270 -7.234 8.379 1.00 0.00 C ATOM 871 CG ARG A 55 -8.668 -7.043 8.968 1.00 0.00 C ATOM 872 CD ARG A 55 -8.747 -7.740 10.329 1.00 0.00 C ATOM 873 NE ARG A 55 -7.854 -7.089 11.282 1.00 0.00 N ATOM 874 CZ ARG A 55 -7.678 -7.581 12.503 1.00 0.00 C ATOM 875 NH1 ARG A 55 -8.307 -8.666 12.868 1.00 0.00 N ATOM 876 NH2 ARG A 55 -6.877 -6.981 13.340 1.00 0.00 N ATOM 0 H ARG A 55 -8.905 -6.827 5.734 1.00 0.00 H new ATOM 0 HA ARG A 55 -7.542 -5.597 7.000 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.021 -8.295 8.344 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.528 -6.753 9.016 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.886 -5.981 9.078 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -9.418 -7.454 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.771 -7.711 10.701 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.475 -8.790 10.224 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.357 -6.242 11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.934 -9.136 12.215 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.171 -9.043 13.806 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.385 -6.133 13.057 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.742 -7.360 14.278 1.00 0.00 H new ATOM 890 N THR A 56 -5.608 -6.318 5.187 1.00 0.00 N ATOM 891 CA THR A 56 -4.283 -6.320 4.571 1.00 0.00 C ATOM 892 C THR A 56 -4.084 -5.055 3.746 1.00 0.00 C ATOM 893 O THR A 56 -5.045 -4.465 3.255 1.00 0.00 O ATOM 894 CB THR A 56 -4.129 -7.547 3.673 1.00 0.00 C ATOM 895 OG1 THR A 56 -4.290 -8.723 4.454 1.00 0.00 O ATOM 896 CG2 THR A 56 -2.740 -7.542 3.036 1.00 0.00 C ATOM 0 H THR A 56 -6.360 -6.011 4.570 1.00 0.00 H new ATOM 0 HA THR A 56 -3.531 -6.352 5.359 1.00 0.00 H new ATOM 0 HB THR A 56 -4.886 -7.524 2.889 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.193 -9.512 3.881 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.630 -8.417 2.396 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.617 -6.638 2.440 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.981 -7.567 3.818 1.00 0.00 H new ATOM 904 N VAL A 57 -2.827 -4.639 3.601 1.00 0.00 N ATOM 905 CA VAL A 57 -2.500 -3.438 2.832 1.00 0.00 C ATOM 906 C VAL A 57 -1.467 -3.767 1.762 1.00 0.00 C ATOM 907 O VAL A 57 -0.467 -4.432 2.034 1.00 0.00 O ATOM 908 CB VAL A 57 -1.947 -2.358 3.762 1.00 0.00 C ATOM 909 CG1 VAL A 57 -1.438 -1.174 2.933 1.00 0.00 C ATOM 910 CG2 VAL A 57 -3.055 -1.882 4.704 1.00 0.00 C ATOM 0 H VAL A 57 -2.020 -5.114 4.005 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.407 -3.071 2.352 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.124 -2.770 4.345 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.045 -0.406 3.599 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.648 -1.512 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.259 -0.760 2.347 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.662 -1.112 5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.878 -1.472 4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.415 -2.723 5.297 1.00 0.00 H new ATOM 920 N ILE A 58 -1.715 -3.292 0.545 1.00 0.00 N ATOM 921 CA ILE A 58 -0.804 -3.526 -0.574 1.00 0.00 C ATOM 922 C ILE A 58 -0.439 -2.209 -1.244 1.00 0.00 C ATOM 923 O ILE A 58 -1.309 -1.397 -1.560 1.00 0.00 O ATOM 924 CB ILE A 58 -1.457 -4.455 -1.596 1.00 0.00 C ATOM 925 CG1 ILE A 58 -0.445 -4.798 -2.692 1.00 0.00 C ATOM 926 CG2 ILE A 58 -2.674 -3.769 -2.217 1.00 0.00 C ATOM 927 CD1 ILE A 58 -1.095 -5.735 -3.708 1.00 0.00 C ATOM 0 H ILE A 58 -2.540 -2.742 0.307 1.00 0.00 H new ATOM 0 HA ILE A 58 0.103 -3.993 -0.190 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.778 -5.370 -1.098 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.105 -3.888 -3.186 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.434 -5.271 -2.255 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.136 -4.436 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.395 -3.530 -1.435 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.360 -2.851 -2.714 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.375 -5.980 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.413 -6.650 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.961 -5.245 -4.153 1.00 0.00 H new ATOM 939 N VAL A 59 0.855 -2.009 -1.465 1.00 0.00 N ATOM 940 CA VAL A 59 1.343 -0.792 -2.110 1.00 0.00 C ATOM 941 C VAL A 59 2.532 -1.106 -3.009 1.00 0.00 C ATOM 942 O VAL A 59 3.446 -1.829 -2.616 1.00 0.00 O ATOM 943 CB VAL A 59 1.747 0.238 -1.052 1.00 0.00 C ATOM 944 CG1 VAL A 59 2.700 -0.412 -0.052 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.440 1.429 -1.723 1.00 0.00 C ATOM 0 H VAL A 59 1.586 -2.672 -1.208 1.00 0.00 H new ATOM 0 HA VAL A 59 0.541 -0.379 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 59 0.856 0.591 -0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.990 0.319 0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.203 -1.254 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.589 -0.766 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.725 2.158 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.331 1.083 -2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.757 1.893 -2.435 1.00 0.00 H new ATOM 955 N VAL A 60 2.520 -0.544 -4.218 1.00 0.00 N ATOM 956 CA VAL A 60 3.610 -0.758 -5.168 1.00 0.00 C ATOM 957 C VAL A 60 4.481 0.491 -5.242 1.00 0.00 C ATOM 958 O VAL A 60 3.988 1.590 -5.495 1.00 0.00 O ATOM 959 CB VAL A 60 3.043 -1.071 -6.551 1.00 0.00 C ATOM 960 CG1 VAL A 60 4.176 -1.536 -7.467 1.00 0.00 C ATOM 961 CG2 VAL A 60 1.993 -2.178 -6.434 1.00 0.00 C ATOM 0 H VAL A 60 1.772 0.059 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 60 4.214 -1.600 -4.831 1.00 0.00 H new ATOM 0 HB VAL A 60 2.580 -0.177 -6.968 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.776 -1.761 -8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.924 -0.748 -7.549 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.637 -2.432 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.588 -2.401 -7.421 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.454 -3.074 -6.019 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.188 -1.848 -5.778 1.00 0.00 H new ATOM 971 N HIS A 61 5.778 0.312 -5.015 1.00 0.00 N ATOM 972 CA HIS A 61 6.717 1.430 -5.050 1.00 0.00 C ATOM 973 C HIS A 61 8.099 0.953 -5.486 1.00 0.00 C ATOM 974 O HIS A 61 8.407 -0.237 -5.417 1.00 0.00 O ATOM 975 CB HIS A 61 6.811 2.070 -3.658 1.00 0.00 C ATOM 976 CG HIS A 61 7.596 1.176 -2.734 1.00 0.00 C ATOM 977 ND1 HIS A 61 8.972 1.270 -2.610 1.00 0.00 N ATOM 978 CD2 HIS A 61 7.211 0.163 -1.894 1.00 0.00 C ATOM 979 CE1 HIS A 61 9.363 0.335 -1.725 1.00 0.00 C ATOM 980 NE2 HIS A 61 8.329 -0.367 -1.258 1.00 0.00 N ATOM 0 H HIS A 61 6.203 -0.592 -4.806 1.00 0.00 H new ATOM 0 HA HIS A 61 6.356 2.166 -5.768 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.291 3.046 -3.729 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.811 2.235 -3.256 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.578 1.928 -3.100 1.00 0.00 H new ATOM 0 HD2 HIS A 61 6.195 -0.172 -1.748 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.389 0.173 -1.429 1.00 0.00 H new ATOM 989 N ASP A 62 8.927 1.889 -5.930 1.00 0.00 N ATOM 990 CA ASP A 62 10.279 1.554 -6.368 1.00 0.00 C ATOM 991 C ASP A 62 11.240 1.596 -5.183 1.00 0.00 C ATOM 992 O ASP A 62 11.406 2.636 -4.544 1.00 0.00 O ATOM 993 CB ASP A 62 10.743 2.541 -7.441 1.00 0.00 C ATOM 994 CG ASP A 62 11.954 1.981 -8.182 1.00 0.00 C ATOM 995 OD1 ASP A 62 12.374 0.887 -7.843 1.00 0.00 O ATOM 996 OD2 ASP A 62 12.442 2.654 -9.075 1.00 0.00 O ATOM 0 H ASP A 62 8.691 2.879 -5.997 1.00 0.00 H new ATOM 0 HA ASP A 62 10.271 0.548 -6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.933 2.732 -8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.998 3.496 -6.982 1.00 0.00 H new ATOM 1001 N SER A 63 11.866 0.463 -4.895 1.00 0.00 N ATOM 1002 CA SER A 63 12.801 0.381 -3.779 1.00 0.00 C ATOM 1003 C SER A 63 13.870 1.464 -3.896 1.00 0.00 C ATOM 1004 O SER A 63 14.480 1.856 -2.901 1.00 0.00 O ATOM 1005 CB SER A 63 13.463 -1.002 -3.756 1.00 0.00 C ATOM 1006 OG SER A 63 12.517 -1.980 -4.168 1.00 0.00 O ATOM 0 H SER A 63 11.745 -0.407 -5.414 1.00 0.00 H new ATOM 0 HA SER A 63 12.250 0.534 -2.851 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.329 -1.015 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.825 -1.229 -2.753 1.00 0.00 H new ATOM 0 HG SER A 63 12.988 -2.787 -4.463 1.00 0.00 H new ATOM 1012 N LEU A 64 14.099 1.937 -5.115 1.00 0.00 N ATOM 1013 CA LEU A 64 15.101 2.966 -5.343 1.00 0.00 C ATOM 1014 C LEU A 64 14.588 4.331 -4.898 1.00 0.00 C ATOM 1015 O LEU A 64 15.225 5.011 -4.095 1.00 0.00 O ATOM 1016 CB LEU A 64 15.447 3.009 -6.832 1.00 0.00 C ATOM 1017 CG LEU A 64 16.083 1.680 -7.264 1.00 0.00 C ATOM 1018 CD1 LEU A 64 16.245 1.667 -8.787 1.00 0.00 C ATOM 1019 CD2 LEU A 64 17.457 1.501 -6.592 1.00 0.00 C ATOM 0 H LEU A 64 13.608 1.626 -5.953 1.00 0.00 H new ATOM 0 HA LEU A 64 15.990 2.726 -4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.547 3.198 -7.417 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.134 3.831 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 64 15.436 0.858 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.696 0.724 -9.097 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.268 1.773 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.886 2.494 -9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.896 0.554 -6.908 1.00 0.00 H new ATOM 0 HD22 LEU A 64 18.114 2.321 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 64 17.335 1.501 -5.509 1.00 0.00 H new ATOM 1031 N LEU A 65 13.436 4.728 -5.428 1.00 0.00 N ATOM 1032 CA LEU A 65 12.857 6.020 -5.079 1.00 0.00 C ATOM 1033 C LEU A 65 12.467 6.062 -3.611 1.00 0.00 C ATOM 1034 O LEU A 65 12.708 7.054 -2.922 1.00 0.00 O ATOM 1035 CB LEU A 65 11.620 6.281 -5.936 1.00 0.00 C ATOM 1036 CG LEU A 65 12.039 6.465 -7.404 1.00 0.00 C ATOM 1037 CD1 LEU A 65 10.798 6.393 -8.300 1.00 0.00 C ATOM 1038 CD2 LEU A 65 12.737 7.825 -7.599 1.00 0.00 C ATOM 0 H LEU A 65 12.890 4.181 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 65 13.606 6.790 -5.264 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.922 5.448 -5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.101 7.171 -5.581 1.00 0.00 H new ATOM 0 HG LEU A 65 12.736 5.672 -7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.093 6.523 -9.341 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.317 5.423 -8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.100 7.182 -8.019 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.027 7.939 -8.644 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.053 8.628 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.625 7.872 -6.969 1.00 0.00 H new ATOM 1050 N ILE A 66 11.855 4.985 -3.135 1.00 0.00 N ATOM 1051 CA ILE A 66 11.425 4.912 -1.743 1.00 0.00 C ATOM 1052 C ILE A 66 11.545 3.492 -1.226 1.00 0.00 C ATOM 1053 O ILE A 66 11.395 2.534 -1.986 1.00 0.00 O ATOM 1054 CB ILE A 66 9.973 5.378 -1.624 1.00 0.00 C ATOM 1055 CG1 ILE A 66 9.606 5.502 -0.146 1.00 0.00 C ATOM 1056 CG2 ILE A 66 9.044 4.363 -2.298 1.00 0.00 C ATOM 1057 CD1 ILE A 66 8.230 6.154 -0.017 1.00 0.00 C ATOM 0 H ILE A 66 11.646 4.154 -3.688 1.00 0.00 H new ATOM 0 HA ILE A 66 12.066 5.561 -1.146 1.00 0.00 H new ATOM 0 HB ILE A 66 9.861 6.345 -2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.599 4.518 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 66 10.354 6.099 0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.011 4.700 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 66 9.307 4.272 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.151 3.393 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.967 6.243 1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.253 7.145 -0.470 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.487 5.540 -0.526 1.00 0.00 H new ATOM 1069 N SER A 67 11.813 3.357 0.072 1.00 0.00 N ATOM 1070 CA SER A 67 11.949 2.036 0.683 1.00 0.00 C ATOM 1071 C SER A 67 10.727 1.711 1.552 1.00 0.00 C ATOM 1072 O SER A 67 9.975 2.608 1.936 1.00 0.00 O ATOM 1073 CB SER A 67 13.233 1.976 1.528 1.00 0.00 C ATOM 1074 OG SER A 67 14.219 1.250 0.809 1.00 0.00 O ATOM 0 H SER A 67 11.939 4.138 0.716 1.00 0.00 H new ATOM 0 HA SER A 67 12.011 1.292 -0.112 1.00 0.00 H new ATOM 0 HB2 SER A 67 13.589 2.983 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.033 1.495 2.485 1.00 0.00 H new ATOM 0 HG SER A 67 15.043 1.206 1.337 1.00 0.00 H new ATOM 1080 N PRO A 68 10.528 0.453 1.874 1.00 0.00 N ATOM 1081 CA PRO A 68 9.382 0.013 2.732 1.00 0.00 C ATOM 1082 C PRO A 68 9.378 0.715 4.094 1.00 0.00 C ATOM 1083 O PRO A 68 8.322 0.974 4.671 1.00 0.00 O ATOM 1084 CB PRO A 68 9.605 -1.505 2.901 1.00 0.00 C ATOM 1085 CG PRO A 68 10.484 -1.903 1.763 1.00 0.00 C ATOM 1086 CD PRO A 68 11.364 -0.693 1.463 1.00 0.00 C ATOM 0 HA PRO A 68 8.421 0.258 2.281 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.075 -1.729 3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.659 -2.047 2.876 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.090 -2.770 2.024 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.891 -2.179 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 68 12.299 -0.728 2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.626 -0.640 0.406 1.00 0.00 H new ATOM 1094 N PHE A 69 10.569 1.003 4.607 1.00 0.00 N ATOM 1095 CA PHE A 69 10.696 1.653 5.906 1.00 0.00 C ATOM 1096 C PHE A 69 10.014 3.013 5.899 1.00 0.00 C ATOM 1097 O PHE A 69 9.363 3.397 6.869 1.00 0.00 O ATOM 1098 CB PHE A 69 12.175 1.824 6.264 1.00 0.00 C ATOM 1099 CG PHE A 69 12.789 0.474 6.550 1.00 0.00 C ATOM 1100 CD1 PHE A 69 13.330 -0.284 5.506 1.00 0.00 C ATOM 1101 CD2 PHE A 69 12.816 -0.019 7.861 1.00 0.00 C ATOM 1102 CE1 PHE A 69 13.898 -1.537 5.771 1.00 0.00 C ATOM 1103 CE2 PHE A 69 13.383 -1.273 8.126 1.00 0.00 C ATOM 1104 CZ PHE A 69 13.925 -2.030 7.080 1.00 0.00 C ATOM 0 H PHE A 69 11.456 0.798 4.146 1.00 0.00 H new ATOM 0 HA PHE A 69 10.211 1.023 6.651 1.00 0.00 H new ATOM 0 HB2 PHE A 69 12.704 2.308 5.443 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.276 2.472 7.135 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.310 0.097 4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 69 12.400 0.567 8.667 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.315 -2.122 4.965 1.00 0.00 H new ATOM 0 HE2 PHE A 69 13.402 -1.655 9.136 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.364 -2.995 7.284 1.00 0.00 H new ATOM 1114 N GLN A 70 10.171 3.742 4.803 1.00 0.00 N ATOM 1115 CA GLN A 70 9.569 5.066 4.689 1.00 0.00 C ATOM 1116 C GLN A 70 8.048 4.965 4.716 1.00 0.00 C ATOM 1117 O GLN A 70 7.373 5.784 5.339 1.00 0.00 O ATOM 1118 CB GLN A 70 10.022 5.734 3.390 1.00 0.00 C ATOM 1119 CG GLN A 70 9.733 7.236 3.456 1.00 0.00 C ATOM 1120 CD GLN A 70 10.270 7.927 2.207 1.00 0.00 C ATOM 1121 OE1 GLN A 70 9.523 8.161 1.257 1.00 0.00 O ATOM 1122 NE2 GLN A 70 11.530 8.263 2.148 1.00 0.00 N ATOM 0 H GLN A 70 10.705 3.444 3.986 1.00 0.00 H new ATOM 0 HA GLN A 70 9.894 5.670 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 70 11.088 5.565 3.235 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.502 5.290 2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.660 7.405 3.541 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.195 7.665 4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.147 8.068 2.936 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.897 8.720 1.314 1.00 0.00 H new ATOM 1131 N ILE A 71 7.513 3.958 4.034 1.00 0.00 N ATOM 1132 CA ILE A 71 6.069 3.764 3.989 1.00 0.00 C ATOM 1133 C ILE A 71 5.528 3.448 5.381 1.00 0.00 C ATOM 1134 O ILE A 71 4.502 3.986 5.797 1.00 0.00 O ATOM 1135 CB ILE A 71 5.728 2.619 3.031 1.00 0.00 C ATOM 1136 CG1 ILE A 71 6.076 3.035 1.597 1.00 0.00 C ATOM 1137 CG2 ILE A 71 4.230 2.307 3.112 1.00 0.00 C ATOM 1138 CD1 ILE A 71 6.023 1.811 0.676 1.00 0.00 C ATOM 0 H ILE A 71 8.052 3.269 3.509 1.00 0.00 H new ATOM 0 HA ILE A 71 5.606 4.684 3.634 1.00 0.00 H new ATOM 0 HB ILE A 71 6.301 1.734 3.310 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.376 3.795 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.070 3.481 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.991 1.492 2.429 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.974 2.014 4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.658 3.193 2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.271 2.111 -0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.740 1.066 1.020 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.020 1.385 0.695 1.00 0.00 H new ATOM 1150 N ALA A 72 6.225 2.568 6.094 1.00 0.00 N ATOM 1151 CA ALA A 72 5.803 2.185 7.434 1.00 0.00 C ATOM 1152 C ALA A 72 5.867 3.380 8.378 1.00 0.00 C ATOM 1153 O ALA A 72 5.003 3.554 9.238 1.00 0.00 O ATOM 1154 CB ALA A 72 6.699 1.066 7.963 1.00 0.00 C ATOM 0 H ALA A 72 7.077 2.111 5.768 1.00 0.00 H new ATOM 0 HA ALA A 72 4.773 1.832 7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.377 0.785 8.966 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.628 0.201 7.304 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.732 1.413 7.998 1.00 0.00 H new ATOM 1160 N LYS A 73 6.896 4.200 8.209 1.00 0.00 N ATOM 1161 CA LYS A 73 7.068 5.379 9.048 1.00 0.00 C ATOM 1162 C LYS A 73 5.913 6.350 8.850 1.00 0.00 C ATOM 1163 O LYS A 73 5.419 6.944 9.809 1.00 0.00 O ATOM 1164 CB LYS A 73 8.389 6.073 8.698 1.00 0.00 C ATOM 1165 CG LYS A 73 9.583 5.225 9.173 1.00 0.00 C ATOM 1166 CD LYS A 73 9.891 5.522 10.646 1.00 0.00 C ATOM 1167 CE LYS A 73 11.081 4.678 11.096 1.00 0.00 C ATOM 1168 NZ LYS A 73 11.354 4.948 12.533 1.00 0.00 N ATOM 0 H LYS A 73 7.621 4.072 7.503 1.00 0.00 H new ATOM 0 HA LYS A 73 7.085 5.064 10.091 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.451 6.229 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.425 7.057 9.165 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.359 4.166 9.047 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.458 5.441 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.113 6.581 10.776 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.020 5.300 11.263 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.869 3.619 10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.959 4.916 10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.164 4.376 12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 11.572 5.957 12.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.517 4.701 13.098 1.00 0.00 H new ATOM 1182 N ALA A 74 5.487 6.510 7.604 1.00 0.00 N ATOM 1183 CA ALA A 74 4.391 7.420 7.301 1.00 0.00 C ATOM 1184 C ALA A 74 3.133 7.009 8.062 1.00 0.00 C ATOM 1185 O ALA A 74 2.435 7.849 8.629 1.00 0.00 O ATOM 1186 CB ALA A 74 4.115 7.410 5.796 1.00 0.00 C ATOM 0 H ALA A 74 5.879 6.027 6.795 1.00 0.00 H new ATOM 0 HA ALA A 74 4.672 8.426 7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.294 8.092 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.009 7.729 5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.845 6.402 5.482 1.00 0.00 H new ATOM 1192 N LEU A 75 2.857 5.713 8.072 1.00 0.00 N ATOM 1193 CA LEU A 75 1.686 5.190 8.769 1.00 0.00 C ATOM 1194 C LEU A 75 1.817 5.401 10.274 1.00 0.00 C ATOM 1195 O LEU A 75 0.836 5.692 10.957 1.00 0.00 O ATOM 1196 CB LEU A 75 1.515 3.702 8.465 1.00 0.00 C ATOM 1197 CG LEU A 75 1.142 3.515 6.985 1.00 0.00 C ATOM 1198 CD1 LEU A 75 1.213 2.027 6.628 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -0.280 4.050 6.708 1.00 0.00 C ATOM 0 H LEU A 75 3.425 5.004 7.607 1.00 0.00 H new ATOM 0 HA LEU A 75 0.807 5.730 8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.438 3.167 8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.739 3.278 9.102 1.00 0.00 H new ATOM 0 HG LEU A 75 1.847 4.076 6.372 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.949 1.891 5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.225 1.660 6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.515 1.469 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.524 3.908 5.655 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.999 3.508 7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.323 5.112 6.950 1.00 0.00 H new ATOM 1211 N ASN A 76 3.032 5.243 10.781 1.00 0.00 N ATOM 1212 CA ASN A 76 3.282 5.407 12.206 1.00 0.00 C ATOM 1213 C ASN A 76 2.950 6.827 12.648 1.00 0.00 C ATOM 1214 O ASN A 76 2.411 7.040 13.734 1.00 0.00 O ATOM 1215 CB ASN A 76 4.748 5.107 12.516 1.00 0.00 C ATOM 1216 CG ASN A 76 5.099 3.692 12.068 1.00 0.00 C ATOM 1217 OD1 ASN A 76 4.153 2.800 11.956 1.00 0.00 O flip ATOM 1218 ND2 ASN A 76 6.264 3.392 11.812 1.00 0.00 N flip ATOM 0 H ASN A 76 3.856 5.003 10.230 1.00 0.00 H new ATOM 0 HA ASN A 76 2.644 4.710 12.750 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.390 5.827 12.009 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.931 5.214 13.585 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.002 4.091 11.900 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.492 2.444 11.511 1.00 0.00 H new ATOM 1225 N GLU A 77 3.270 7.796 11.799 1.00 0.00 N ATOM 1226 CA GLU A 77 3.002 9.196 12.116 1.00 0.00 C ATOM 1227 C GLU A 77 1.516 9.409 12.380 1.00 0.00 C ATOM 1228 O GLU A 77 1.137 10.184 13.260 1.00 0.00 O ATOM 1229 CB GLU A 77 3.444 10.088 10.954 1.00 0.00 C ATOM 1230 CG GLU A 77 4.971 10.080 10.848 1.00 0.00 C ATOM 1231 CD GLU A 77 5.582 10.805 12.042 1.00 0.00 C ATOM 1232 OE1 GLU A 77 4.835 11.427 12.779 1.00 0.00 O ATOM 1233 OE2 GLU A 77 6.791 10.736 12.195 1.00 0.00 O ATOM 0 H GLU A 77 3.712 7.642 10.893 1.00 0.00 H new ATOM 0 HA GLU A 77 3.563 9.459 13.013 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.004 9.733 10.022 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.086 11.106 11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.335 9.053 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.282 10.563 9.921 1.00 0.00 H new ATOM 1240 N ALA A 78 0.678 8.720 11.615 1.00 0.00 N ATOM 1241 CA ALA A 78 -0.764 8.848 11.776 1.00 0.00 C ATOM 1242 C ALA A 78 -1.248 8.016 12.958 1.00 0.00 C ATOM 1243 O ALA A 78 -2.438 8.007 13.267 1.00 0.00 O ATOM 1244 CB ALA A 78 -1.477 8.391 10.503 1.00 0.00 C ATOM 0 H ALA A 78 0.969 8.072 10.883 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.996 9.896 11.965 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.555 8.491 10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.155 9.008 9.664 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.231 7.348 10.302 1.00 0.00 H new ATOM 1250 N ARG A 79 -0.318 7.315 13.605 1.00 0.00 N ATOM 1251 CA ARG A 79 -0.646 6.471 14.754 1.00 0.00 C ATOM 1252 C ARG A 79 -1.585 5.336 14.357 1.00 0.00 C ATOM 1253 O ARG A 79 -2.502 4.987 15.098 1.00 0.00 O ATOM 1254 CB ARG A 79 -1.290 7.307 15.864 1.00 0.00 C ATOM 1255 CG ARG A 79 -0.317 8.399 16.304 1.00 0.00 C ATOM 1256 CD ARG A 79 -0.994 9.290 17.343 1.00 0.00 C ATOM 1257 NE ARG A 79 -1.221 8.541 18.573 1.00 0.00 N ATOM 1258 CZ ARG A 79 -1.879 9.080 19.593 1.00 0.00 C ATOM 1259 NH1 ARG A 79 -2.346 10.296 19.500 1.00 0.00 N ATOM 1260 NH2 ARG A 79 -2.060 8.395 20.689 1.00 0.00 N ATOM 0 H ARG A 79 0.670 7.315 13.353 1.00 0.00 H new ATOM 0 HA ARG A 79 0.284 6.037 15.122 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -2.218 7.753 15.507 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -1.548 6.671 16.711 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.584 7.952 16.724 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.007 8.994 15.445 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -0.371 10.161 17.548 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -1.942 9.661 16.953 1.00 0.00 H new ATOM 0 HE ARG A 79 -0.869 7.587 18.652 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.205 10.832 18.644 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.851 10.710 20.284 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.696 7.445 20.763 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.565 8.810 21.472 1.00 0.00 H new ATOM 1274 N LEU A 80 -1.341 4.749 13.183 1.00 0.00 N ATOM 1275 CA LEU A 80 -2.159 3.630 12.692 1.00 0.00 C ATOM 1276 C LEU A 80 -1.432 2.309 12.897 1.00 0.00 C ATOM 1277 O LEU A 80 -1.982 1.250 12.604 1.00 0.00 O ATOM 1278 CB LEU A 80 -2.488 3.824 11.198 1.00 0.00 C ATOM 1279 CG LEU A 80 -3.790 4.620 11.046 1.00 0.00 C ATOM 1280 CD1 LEU A 80 -3.680 5.940 11.808 1.00 0.00 C ATOM 1281 CD2 LEU A 80 -4.041 4.896 9.563 1.00 0.00 C ATOM 0 H LEU A 80 -0.587 5.026 12.554 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.090 3.609 13.259 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.671 4.349 10.703 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.586 2.854 10.710 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.620 4.044 11.454 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.607 6.502 11.697 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.503 5.737 12.864 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.852 6.524 11.407 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.966 5.462 9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.211 5.472 9.155 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.126 3.951 9.026 1.00 0.00 H new ATOM 1293 N GLU A 81 -0.205 2.382 13.401 1.00 0.00 N ATOM 1294 CA GLU A 81 0.587 1.183 13.639 1.00 0.00 C ATOM 1295 C GLU A 81 0.737 0.383 12.351 1.00 0.00 C ATOM 1296 O GLU A 81 -0.248 0.012 11.723 1.00 0.00 O ATOM 1297 CB GLU A 81 -0.086 0.317 14.707 1.00 0.00 C ATOM 1298 CG GLU A 81 -0.063 1.051 16.045 1.00 0.00 C ATOM 1299 CD GLU A 81 -0.815 0.242 17.097 1.00 0.00 C ATOM 1300 OE1 GLU A 81 -1.286 -0.832 16.763 1.00 0.00 O ATOM 1301 OE2 GLU A 81 -0.909 0.710 18.219 1.00 0.00 O ATOM 0 H GLU A 81 0.260 3.255 13.651 1.00 0.00 H new ATOM 0 HA GLU A 81 1.576 1.482 13.987 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.114 0.097 14.418 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.431 -0.638 14.795 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.967 1.210 16.364 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.519 2.035 15.937 1.00 0.00 H new ATOM 1308 N ALA A 82 1.978 0.118 11.957 1.00 0.00 N ATOM 1309 CA ALA A 82 2.238 -0.643 10.737 1.00 0.00 C ATOM 1310 C ALA A 82 3.490 -1.491 10.899 1.00 0.00 C ATOM 1311 O ALA A 82 4.494 -1.032 11.444 1.00 0.00 O ATOM 1312 CB ALA A 82 2.416 0.313 9.557 1.00 0.00 C ATOM 0 H ALA A 82 2.815 0.415 12.459 1.00 0.00 H new ATOM 0 HA ALA A 82 1.389 -1.299 10.548 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.610 -0.260 8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.509 0.903 9.427 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.257 0.979 9.752 1.00 0.00 H new ATOM 1318 N ASN A 83 3.424 -2.735 10.426 1.00 0.00 N ATOM 1319 CA ASN A 83 4.561 -3.649 10.524 1.00 0.00 C ATOM 1320 C ASN A 83 4.765 -4.386 9.203 1.00 0.00 C ATOM 1321 O ASN A 83 3.841 -5.003 8.673 1.00 0.00 O ATOM 1322 CB ASN A 83 4.319 -4.662 11.656 1.00 0.00 C ATOM 1323 CG ASN A 83 3.506 -4.010 12.767 1.00 0.00 C ATOM 1324 OD1 ASN A 83 4.046 -3.265 13.585 1.00 0.00 O ATOM 1325 ND2 ASN A 83 2.225 -4.249 12.839 1.00 0.00 N ATOM 0 H ASN A 83 2.600 -3.131 9.974 1.00 0.00 H new ATOM 0 HA ASN A 83 5.458 -3.071 10.744 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.791 -5.534 11.270 1.00 0.00 H new ATOM 0 HB3 ASN A 83 5.272 -5.016 12.050 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.666 -3.818 13.575 1.00 0.00 H new ATOM 0 HD22 ASN A 83 1.782 -4.867 12.159 1.00 0.00 H new ATOM 1332 N VAL A 84 5.983 -4.332 8.689 1.00 0.00 N ATOM 1333 CA VAL A 84 6.309 -5.008 7.442 1.00 0.00 C ATOM 1334 C VAL A 84 6.283 -6.514 7.650 1.00 0.00 C ATOM 1335 O VAL A 84 6.529 -6.993 8.757 1.00 0.00 O ATOM 1336 CB VAL A 84 7.692 -4.588 6.954 1.00 0.00 C ATOM 1337 CG1 VAL A 84 8.056 -5.374 5.690 1.00 0.00 C ATOM 1338 CG2 VAL A 84 7.684 -3.093 6.638 1.00 0.00 C ATOM 0 H VAL A 84 6.761 -3.828 9.114 1.00 0.00 H new ATOM 0 HA VAL A 84 5.569 -4.729 6.692 1.00 0.00 H new ATOM 0 HB VAL A 84 8.428 -4.795 7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.044 -5.071 5.345 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.061 -6.441 5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.322 -5.170 4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.671 -2.790 6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.946 -2.889 5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.429 -2.532 7.537 1.00 0.00 H new ATOM 1348 N ARG A 85 5.975 -7.247 6.580 1.00 0.00 N ATOM 1349 CA ARG A 85 5.908 -8.714 6.629 1.00 0.00 C ATOM 1350 C ARG A 85 6.921 -9.267 7.635 1.00 0.00 C ATOM 1351 O ARG A 85 8.124 -9.274 7.379 1.00 0.00 O ATOM 1352 CB ARG A 85 6.187 -9.311 5.228 1.00 0.00 C ATOM 1353 CG ARG A 85 5.934 -8.256 4.153 1.00 0.00 C ATOM 1354 CD ARG A 85 5.969 -8.913 2.777 1.00 0.00 C ATOM 1355 NE ARG A 85 7.285 -9.485 2.528 1.00 0.00 N ATOM 1356 CZ ARG A 85 7.545 -10.139 1.404 1.00 0.00 C ATOM 1357 NH1 ARG A 85 6.614 -10.270 0.499 1.00 0.00 N ATOM 1358 NH2 ARG A 85 8.727 -10.650 1.206 1.00 0.00 N ATOM 0 H ARG A 85 5.767 -6.850 5.664 1.00 0.00 H new ATOM 0 HA ARG A 85 4.905 -8.998 6.947 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.218 -9.661 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.547 -10.177 5.058 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.967 -7.780 4.316 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.689 -7.472 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.209 -9.692 2.718 1.00 0.00 H new ATOM 0 HD3 ARG A 85 5.732 -8.177 2.008 1.00 0.00 H new ATOM 0 HE ARG A 85 8.018 -9.381 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.689 -9.870 0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.811 -10.772 -0.366 1.00 0.00 H new ATOM 0 HH21 ARG A 85 9.452 -10.547 1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.927 -11.153 0.341 1.00 0.00 H new ATOM 1372 N VAL A 86 6.423 -9.711 8.782 1.00 0.00 N ATOM 1373 CA VAL A 86 7.289 -10.246 9.823 1.00 0.00 C ATOM 1374 C VAL A 86 7.597 -11.713 9.554 1.00 0.00 C ATOM 1375 O VAL A 86 6.831 -12.405 8.885 1.00 0.00 O ATOM 1376 CB VAL A 86 6.612 -10.106 11.185 1.00 0.00 C ATOM 1377 CG1 VAL A 86 6.324 -8.628 11.465 1.00 0.00 C ATOM 1378 CG2 VAL A 86 5.298 -10.889 11.182 1.00 0.00 C ATOM 0 H VAL A 86 5.430 -9.711 9.014 1.00 0.00 H new ATOM 0 HA VAL A 86 8.222 -9.683 9.823 1.00 0.00 H new ATOM 0 HB VAL A 86 7.270 -10.500 11.960 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.841 -8.529 12.437 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.260 -8.069 11.466 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.666 -8.233 10.691 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.813 -10.790 12.153 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.641 -10.494 10.407 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.502 -11.941 10.984 1.00 0.00 H new ATOM 1388 N ASN A 87 8.727 -12.176 10.076 1.00 0.00 N ATOM 1389 CA ASN A 87 9.132 -13.564 9.887 1.00 0.00 C ATOM 1390 C ASN A 87 9.188 -13.909 8.404 1.00 0.00 C ATOM 1391 O ASN A 87 8.881 -15.034 8.008 1.00 0.00 O ATOM 1392 CB ASN A 87 8.146 -14.498 10.591 1.00 0.00 C ATOM 1393 CG ASN A 87 8.311 -14.386 12.103 1.00 0.00 C ATOM 1394 OD1 ASN A 87 9.317 -13.861 12.580 1.00 0.00 O ATOM 1395 ND2 ASN A 87 7.380 -14.854 12.886 1.00 0.00 N ATOM 0 H ASN A 87 9.375 -11.615 10.630 1.00 0.00 H new ATOM 0 HA ASN A 87 10.125 -13.693 10.317 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.125 -14.242 10.308 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.317 -15.527 10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.483 -14.786 13.898 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.548 -15.288 12.486 1.00 0.00 H new ATOM 1402 N GLY A 88 9.580 -12.934 7.585 1.00 0.00 N ATOM 1403 CA GLY A 88 9.674 -13.141 6.138 1.00 0.00 C ATOM 1404 C GLY A 88 10.932 -12.491 5.576 1.00 0.00 C ATOM 1405 O GLY A 88 11.251 -11.348 5.901 1.00 0.00 O ATOM 0 H GLY A 88 9.837 -11.997 7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.683 -14.209 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.794 -12.723 5.649 1.00 0.00 H new ATOM 1409 N GLU A 89 11.641 -13.228 4.728 1.00 0.00 N ATOM 1410 CA GLU A 89 12.862 -12.713 4.121 1.00 0.00 C ATOM 1411 C GLU A 89 13.234 -13.537 2.892 1.00 0.00 C ATOM 1412 O GLU A 89 13.437 -14.746 2.984 1.00 0.00 O ATOM 1413 CB GLU A 89 14.008 -12.755 5.135 1.00 0.00 C ATOM 1414 CG GLU A 89 15.255 -12.103 4.530 1.00 0.00 C ATOM 1415 CD GLU A 89 16.399 -12.130 5.537 1.00 0.00 C ATOM 1416 OE1 GLU A 89 16.635 -13.184 6.107 1.00 0.00 O ATOM 1417 OE2 GLU A 89 17.023 -11.100 5.725 1.00 0.00 O ATOM 0 H GLU A 89 11.394 -14.177 4.447 1.00 0.00 H new ATOM 0 HA GLU A 89 12.689 -11.681 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.719 -12.233 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.223 -13.787 5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.547 -12.630 3.622 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.035 -11.074 4.245 1.00 0.00 H new ATOM 1424 N THR A 90 13.325 -12.872 1.746 1.00 0.00 N ATOM 1425 CA THR A 90 13.678 -13.553 0.507 1.00 0.00 C ATOM 1426 C THR A 90 15.101 -14.098 0.582 1.00 0.00 C ATOM 1427 O THR A 90 15.309 -15.309 0.671 1.00 0.00 O ATOM 1428 CB THR A 90 13.562 -12.586 -0.672 1.00 0.00 C ATOM 1429 OG1 THR A 90 12.210 -12.172 -0.812 1.00 0.00 O ATOM 1430 CG2 THR A 90 14.021 -13.281 -1.956 1.00 0.00 C ATOM 0 H THR A 90 13.161 -11.870 1.649 1.00 0.00 H new ATOM 0 HA THR A 90 12.989 -14.385 0.363 1.00 0.00 H new ATOM 0 HB THR A 90 14.192 -11.716 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 90 12.135 -11.551 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.937 -12.589 -2.794 1.00 0.00 H new ATOM 0 HG22 THR A 90 15.059 -13.596 -1.848 1.00 0.00 H new ATOM 0 HG23 THR A 90 13.394 -14.153 -2.141 1.00 0.00 H new ATOM 1438 N SER A 91 16.078 -13.197 0.545 1.00 0.00 N ATOM 1439 CA SER A 91 17.477 -13.599 0.611 1.00 0.00 C ATOM 1440 C SER A 91 17.769 -14.679 -0.425 1.00 0.00 C ATOM 1441 O SER A 91 17.692 -15.871 -0.128 1.00 0.00 O ATOM 1442 CB SER A 91 17.807 -14.130 2.005 1.00 0.00 C ATOM 1443 OG SER A 91 19.031 -14.851 1.957 1.00 0.00 O ATOM 0 H SER A 91 15.928 -12.191 0.470 1.00 0.00 H new ATOM 0 HA SER A 91 18.095 -12.726 0.401 1.00 0.00 H new ATOM 0 HB2 SER A 91 17.886 -13.304 2.712 1.00 0.00 H new ATOM 0 HB3 SER A 91 17.005 -14.777 2.359 1.00 0.00 H new ATOM 0 HG SER A 91 18.907 -15.673 1.438 1.00 0.00 H new ATOM 1449 N PHE A 92 18.101 -14.256 -1.644 1.00 0.00 N ATOM 1450 CA PHE A 92 18.401 -15.200 -2.721 1.00 0.00 C ATOM 1451 C PHE A 92 19.906 -15.357 -2.881 1.00 0.00 C ATOM 1452 O PHE A 92 20.613 -14.396 -3.181 1.00 0.00 O ATOM 1453 CB PHE A 92 17.803 -14.694 -4.033 1.00 0.00 C ATOM 1454 CG PHE A 92 18.039 -15.719 -5.118 1.00 0.00 C ATOM 1455 CD1 PHE A 92 17.234 -16.863 -5.182 1.00 0.00 C ATOM 1456 CD2 PHE A 92 19.060 -15.529 -6.056 1.00 0.00 C ATOM 1457 CE1 PHE A 92 17.450 -17.816 -6.185 1.00 0.00 C ATOM 1458 CE2 PHE A 92 19.276 -16.482 -7.060 1.00 0.00 C ATOM 1459 CZ PHE A 92 18.470 -17.625 -7.123 1.00 0.00 C ATOM 0 H PHE A 92 18.169 -13.274 -1.910 1.00 0.00 H new ATOM 0 HA PHE A 92 17.966 -16.167 -2.469 1.00 0.00 H new ATOM 0 HB2 PHE A 92 16.735 -14.514 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 92 18.258 -13.743 -4.310 1.00 0.00 H new ATOM 0 HD1 PHE A 92 16.446 -17.010 -4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 92 19.682 -14.647 -6.006 1.00 0.00 H new ATOM 0 HE1 PHE A 92 16.829 -18.698 -6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 92 20.063 -16.335 -7.784 1.00 0.00 H new ATOM 0 HZ PHE A 92 18.636 -18.360 -7.897 1.00 0.00 H new ATOM 1469 N LYS A 93 20.391 -16.577 -2.675 1.00 0.00 N ATOM 1470 CA LYS A 93 21.818 -16.850 -2.798 1.00 0.00 C ATOM 1471 C LYS A 93 22.185 -17.116 -4.252 1.00 0.00 C ATOM 1472 O LYS A 93 21.543 -17.922 -4.926 1.00 0.00 O ATOM 1473 CB LYS A 93 22.194 -18.069 -1.947 1.00 0.00 C ATOM 1474 CG LYS A 93 23.724 -18.163 -1.806 1.00 0.00 C ATOM 1475 CD LYS A 93 24.196 -17.320 -0.614 1.00 0.00 C ATOM 1476 CE LYS A 93 25.720 -17.358 -0.531 1.00 0.00 C ATOM 1477 NZ LYS A 93 26.153 -18.711 -0.084 1.00 0.00 N ATOM 0 H LYS A 93 19.823 -17.386 -2.424 1.00 0.00 H new ATOM 0 HA LYS A 93 22.368 -15.977 -2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 93 21.734 -17.990 -0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.807 -18.978 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 93 24.021 -19.202 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 93 24.203 -17.814 -2.721 1.00 0.00 H new ATOM 0 HD2 LYS A 93 23.853 -16.291 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 93 23.762 -17.703 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 93 26.155 -17.127 -1.503 1.00 0.00 H new ATOM 0 HE3 LYS A 93 26.077 -16.600 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 27.161 -18.687 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 25.595 -18.998 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 26.006 -19.395 -0.854 1.00 0.00 H new ATOM 1491 N ASN A 94 23.223 -16.437 -4.730 1.00 0.00 N ATOM 1492 CA ASN A 94 23.675 -16.608 -6.109 1.00 0.00 C ATOM 1493 C ASN A 94 24.699 -17.733 -6.199 1.00 0.00 C ATOM 1494 O ASN A 94 25.832 -17.591 -5.738 1.00 0.00 O ATOM 1495 CB ASN A 94 24.301 -15.309 -6.615 1.00 0.00 C ATOM 1496 CG ASN A 94 23.246 -14.209 -6.664 1.00 0.00 C ATOM 1497 OD1 ASN A 94 22.083 -14.477 -6.968 1.00 0.00 O ATOM 1498 ND2 ASN A 94 23.582 -12.981 -6.381 1.00 0.00 N ATOM 0 H ASN A 94 23.766 -15.766 -4.187 1.00 0.00 H new ATOM 0 HA ASN A 94 22.814 -16.863 -6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 94 25.120 -15.011 -5.960 1.00 0.00 H new ATOM 0 HB3 ASN A 94 24.726 -15.462 -7.607 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.881 -12.241 -6.411 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.546 -12.761 -6.129 1.00 0.00 H new ATOM 1505 N LYS A 95 24.294 -18.850 -6.797 1.00 0.00 N ATOM 1506 CA LYS A 95 25.182 -20.001 -6.949 1.00 0.00 C ATOM 1507 C LYS A 95 25.860 -19.972 -8.313 1.00 0.00 C ATOM 1508 O LYS A 95 25.256 -19.571 -9.308 1.00 0.00 O ATOM 1509 CB LYS A 95 24.382 -21.298 -6.801 1.00 0.00 C ATOM 1510 CG LYS A 95 23.317 -21.375 -7.898 1.00 0.00 C ATOM 1511 CD LYS A 95 22.449 -22.613 -7.679 1.00 0.00 C ATOM 1512 CE LYS A 95 21.387 -22.693 -8.777 1.00 0.00 C ATOM 1513 NZ LYS A 95 20.519 -23.880 -8.543 1.00 0.00 N ATOM 0 H LYS A 95 23.360 -18.984 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 95 25.947 -19.956 -6.174 1.00 0.00 H new ATOM 0 HB2 LYS A 95 25.049 -22.158 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 95 23.910 -21.336 -5.819 1.00 0.00 H new ATOM 0 HG2 LYS A 95 22.699 -20.477 -7.883 1.00 0.00 H new ATOM 0 HG3 LYS A 95 23.792 -21.419 -8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 95 23.068 -23.510 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 95 21.972 -22.567 -6.700 1.00 0.00 H new ATOM 0 HE2 LYS A 95 20.785 -21.784 -8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 95 21.864 -22.765 -9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 19.797 -23.935 -9.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 21.099 -24.743 -8.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 20.054 -23.793 -7.617 1.00 0.00 H new ATOM 1527 N TRP A 96 27.121 -20.397 -8.353 1.00 0.00 N ATOM 1528 CA TRP A 96 27.880 -20.416 -9.602 1.00 0.00 C ATOM 1529 C TRP A 96 27.807 -21.797 -10.247 1.00 0.00 C ATOM 1530 O TRP A 96 27.801 -22.772 -9.514 1.00 0.00 O ATOM 1531 CB TRP A 96 29.339 -20.056 -9.327 1.00 0.00 C ATOM 1532 CG TRP A 96 30.110 -20.106 -10.607 1.00 0.00 C ATOM 1533 CD1 TRP A 96 30.238 -19.077 -11.476 1.00 0.00 C ATOM 1534 CD2 TRP A 96 30.856 -21.220 -11.177 1.00 0.00 C ATOM 1535 NE1 TRP A 96 31.017 -19.489 -12.542 1.00 0.00 N ATOM 1536 CE2 TRP A 96 31.424 -20.800 -12.403 1.00 0.00 C ATOM 1537 CE3 TRP A 96 31.098 -22.539 -10.749 1.00 0.00 C ATOM 1538 CZ2 TRP A 96 32.197 -21.662 -13.183 1.00 0.00 C ATOM 1539 CZ3 TRP A 96 31.875 -23.407 -11.532 1.00 0.00 C ATOM 1540 CH2 TRP A 96 32.426 -22.968 -12.744 1.00 0.00 C ATOM 1541 OXT TRP A 96 27.758 -21.859 -11.464 1.00 0.00 O ATOM 0 H TRP A 96 27.637 -20.731 -7.539 1.00 0.00 H new ATOM 0 HA TRP A 96 27.447 -19.684 -10.284 1.00 0.00 H new ATOM 0 HB2 TRP A 96 29.403 -19.060 -8.889 1.00 0.00 H new ATOM 0 HB3 TRP A 96 29.767 -20.750 -8.604 1.00 0.00 H new ATOM 0 HD1 TRP A 96 29.803 -18.095 -11.357 1.00 0.00 H new ATOM 0 HE1 TRP A 96 31.261 -18.896 -13.335 1.00 0.00 H new ATOM 0 HE3 TRP A 96 30.684 -22.885 -9.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 32.615 -21.322 -14.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 32.049 -24.419 -11.199 1.00 0.00 H new ATOM 0 HH2 TRP A 96 33.028 -23.640 -13.338 1.00 0.00 H new TER 1552 TRP A 96 HETATM 1553 ZN ZN A 201 -13.312 3.991 11.978 1.00 0.00 ZN HETATM 1554 O HOH A 301 -14.957 5.205 12.783 1.00 0.00 O