USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 735 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 TYR OH : rot -115:sc= 0.41 USER MOD Set 1.2: A 78 ASN : amide:sc= -6.19! C(o=-5.8!,f=-7.3!) USER MOD Set 2.1: A 67 TYR OH : rot 30:sc= 0.683 USER MOD Set 2.2: A 93 LYS NZ :NH3+ -111:sc= -0.521 (180deg=-2.29) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -166:sc=-0.00793 (180deg=-0.229) USER MOD Single : A 14 ASN : amide:sc= -1.99! C(o=-2!,f=-4.5!) USER MOD Single : A 16 GLN : amide:sc= -0.559 K(o=-0.56,f=0.3) USER MOD Single : A 19 ASN : amide:sc= -12.5! C(o=-13!,f=-14!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0.00342 (180deg=0.00342) USER MOD Single : A 26 GLN : amide:sc= 0.495 K(o=0.49,f=-3.6!) USER MOD Single : A 34 SER OG : rot -39:sc= 0.0472 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.1!) USER MOD Single : A 45 THR OG1 : rot -108:sc= 0.825 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= 1.03 K(o=1,f=-0.59) USER MOD Single : A 66 SER OG : rot -160:sc= -0.436 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -2.81! K(o=-2.8!,f=-2.2) USER MOD Single : A 84 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.78) USER MOD Single : A 86 ASN : amide:sc= -1.03 K(o=-1,f=-0.12) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 89 SER OG : rot -32:sc= 0.706 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -40:sc= 0.618 USER MOD ----------------------------------------------------------------- ATOM 35 N PRO A 3 -11.480 3.282 -8.388 1.00 0.00 N ATOM 36 CA PRO A 3 -11.035 2.871 -7.020 1.00 0.00 C ATOM 37 C PRO A 3 -11.311 3.950 -5.961 1.00 0.00 C ATOM 38 O PRO A 3 -11.247 5.134 -6.228 1.00 0.00 O ATOM 39 CB PRO A 3 -9.526 2.624 -7.190 1.00 0.00 C ATOM 40 CG PRO A 3 -9.125 3.467 -8.356 1.00 0.00 C ATOM 41 CD PRO A 3 -10.331 3.485 -9.293 1.00 0.00 C ATOM 0 HA PRO A 3 -11.575 1.996 -6.660 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.976 2.906 -6.292 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.317 1.570 -7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.863 4.476 -8.037 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -8.249 3.053 -8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -10.407 4.430 -9.830 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.267 2.696 -10.043 1.00 0.00 H new ATOM 49 N GLN A 4 -11.614 3.541 -4.760 1.00 0.00 N ATOM 50 CA GLN A 4 -11.895 4.528 -3.685 1.00 0.00 C ATOM 51 C GLN A 4 -10.574 5.105 -3.178 1.00 0.00 C ATOM 52 O GLN A 4 -9.945 4.570 -2.288 1.00 0.00 O ATOM 53 CB GLN A 4 -12.640 3.827 -2.544 1.00 0.00 C ATOM 54 CG GLN A 4 -14.031 3.417 -3.038 1.00 0.00 C ATOM 55 CD GLN A 4 -14.782 2.681 -1.928 1.00 0.00 C ATOM 56 OE1 GLN A 4 -14.360 1.631 -1.485 1.00 0.00 O ATOM 57 NE2 GLN A 4 -15.889 3.190 -1.459 1.00 0.00 N ATOM 0 H GLN A 4 -11.679 2.563 -4.478 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.513 5.339 -4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -12.084 2.950 -2.213 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -12.726 4.492 -1.685 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -14.592 4.300 -3.345 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -13.941 2.776 -3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -16.243 4.071 -1.831 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -16.400 2.706 -0.720 1.00 0.00 H new ATOM 66 N LEU A 5 -10.147 6.195 -3.753 1.00 0.00 N ATOM 67 CA LEU A 5 -8.861 6.814 -3.332 1.00 0.00 C ATOM 68 C LEU A 5 -9.027 7.477 -1.968 1.00 0.00 C ATOM 69 O LEU A 5 -9.898 8.300 -1.771 1.00 0.00 O ATOM 70 CB LEU A 5 -8.457 7.867 -4.366 1.00 0.00 C ATOM 71 CG LEU A 5 -8.377 7.214 -5.753 1.00 0.00 C ATOM 72 CD1 LEU A 5 -8.036 8.279 -6.800 1.00 0.00 C ATOM 73 CD2 LEU A 5 -7.296 6.118 -5.756 1.00 0.00 C ATOM 0 H LEU A 5 -10.637 6.686 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.091 6.046 -3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.183 8.680 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.494 8.303 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.340 6.763 -5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.979 7.816 -7.785 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.810 9.046 -6.804 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.076 8.734 -6.557 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.245 5.660 -6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.330 6.559 -5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -7.546 5.358 -5.016 1.00 0.00 H new ATOM 85 N THR A 6 -8.187 7.121 -1.027 1.00 0.00 N ATOM 86 CA THR A 6 -8.268 7.718 0.344 1.00 0.00 C ATOM 87 C THR A 6 -6.899 8.275 0.735 1.00 0.00 C ATOM 88 O THR A 6 -5.883 7.631 0.572 1.00 0.00 O ATOM 89 CB THR A 6 -8.699 6.643 1.343 1.00 0.00 C ATOM 90 OG1 THR A 6 -9.984 6.157 0.983 1.00 0.00 O ATOM 91 CG2 THR A 6 -8.752 7.245 2.746 1.00 0.00 C ATOM 0 H THR A 6 -7.442 6.436 -1.151 1.00 0.00 H new ATOM 0 HA THR A 6 -9.000 8.526 0.351 1.00 0.00 H new ATOM 0 HB THR A 6 -7.983 5.821 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.263 5.467 1.620 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.059 6.480 3.459 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.765 7.620 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.469 8.065 2.763 1.00 0.00 H new ATOM 99 N LYS A 7 -6.871 9.478 1.235 1.00 0.00 N ATOM 100 CA LYS A 7 -5.578 10.106 1.626 1.00 0.00 C ATOM 101 C LYS A 7 -5.059 9.493 2.933 1.00 0.00 C ATOM 102 O LYS A 7 -5.817 9.005 3.749 1.00 0.00 O ATOM 103 CB LYS A 7 -5.798 11.608 1.809 1.00 0.00 C ATOM 104 CG LYS A 7 -6.171 12.230 0.460 1.00 0.00 C ATOM 105 CD LYS A 7 -6.441 13.726 0.638 1.00 0.00 C ATOM 106 CE LYS A 7 -6.904 14.325 -0.693 1.00 0.00 C ATOM 107 NZ LYS A 7 -5.782 14.288 -1.674 1.00 0.00 N ATOM 0 H LYS A 7 -7.695 10.058 1.391 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.837 9.929 0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.590 11.786 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.894 12.075 2.201 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.363 12.079 -0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.054 11.737 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.203 13.880 1.402 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.538 14.231 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.756 13.765 -1.078 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.238 15.352 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.010 14.897 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.911 14.629 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.641 13.312 -2.003 1.00 0.00 H new ATOM 121 N ILE A 8 -3.766 9.515 3.128 1.00 0.00 N ATOM 122 CA ILE A 8 -3.173 8.934 4.370 1.00 0.00 C ATOM 123 C ILE A 8 -3.685 9.703 5.591 1.00 0.00 C ATOM 124 O ILE A 8 -4.034 9.128 6.602 1.00 0.00 O ATOM 125 CB ILE A 8 -1.647 9.066 4.301 1.00 0.00 C ATOM 126 CG1 ILE A 8 -1.101 8.162 3.186 1.00 0.00 C ATOM 127 CG2 ILE A 8 -1.029 8.659 5.643 1.00 0.00 C ATOM 128 CD1 ILE A 8 0.387 8.460 2.951 1.00 0.00 C ATOM 0 H ILE A 8 -3.091 9.913 2.476 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.456 7.885 4.455 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.386 10.102 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.232 7.115 3.458 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.663 8.325 2.266 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.055 8.755 5.588 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -1.411 9.308 6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -1.291 7.625 5.865 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.767 7.815 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.507 9.503 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 8 0.945 8.274 3.869 1.00 0.00 H new ATOM 140 N VAL A 9 -3.715 11.002 5.502 1.00 0.00 N ATOM 141 CA VAL A 9 -4.184 11.833 6.645 1.00 0.00 C ATOM 142 C VAL A 9 -5.662 11.542 6.929 1.00 0.00 C ATOM 143 O VAL A 9 -6.146 11.749 8.025 1.00 0.00 O ATOM 144 CB VAL A 9 -3.995 13.308 6.285 1.00 0.00 C ATOM 145 CG1 VAL A 9 -4.928 13.679 5.134 1.00 0.00 C ATOM 146 CG2 VAL A 9 -4.305 14.186 7.498 1.00 0.00 C ATOM 0 H VAL A 9 -3.431 11.530 4.677 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.609 11.596 7.540 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.961 13.470 5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.792 14.730 4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.697 13.062 4.265 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.962 13.510 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.168 15.234 7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.336 14.023 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.632 13.928 8.316 1.00 0.00 H new ATOM 156 N ASP A 10 -6.384 11.071 5.949 1.00 0.00 N ATOM 157 CA ASP A 10 -7.829 10.773 6.158 1.00 0.00 C ATOM 158 C ASP A 10 -7.977 9.466 6.944 1.00 0.00 C ATOM 159 O ASP A 10 -9.066 9.081 7.322 1.00 0.00 O ATOM 160 CB ASP A 10 -8.503 10.629 4.791 1.00 0.00 C ATOM 161 CG ASP A 10 -10.023 10.552 4.956 1.00 0.00 C ATOM 162 OD1 ASP A 10 -10.477 10.510 6.088 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.707 10.546 3.946 1.00 0.00 O ATOM 0 H ASP A 10 -6.034 10.879 5.010 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.297 11.581 6.721 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.241 11.476 4.157 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.138 9.732 4.290 1.00 0.00 H new ATOM 168 N ILE A 11 -6.893 8.778 7.195 1.00 0.00 N ATOM 169 CA ILE A 11 -6.983 7.495 7.956 1.00 0.00 C ATOM 170 C ILE A 11 -6.993 7.781 9.459 1.00 0.00 C ATOM 171 O ILE A 11 -6.067 8.349 10.002 1.00 0.00 O ATOM 172 CB ILE A 11 -5.782 6.605 7.611 1.00 0.00 C ATOM 173 CG1 ILE A 11 -5.875 6.186 6.140 1.00 0.00 C ATOM 174 CG2 ILE A 11 -5.788 5.358 8.499 1.00 0.00 C ATOM 175 CD1 ILE A 11 -4.577 5.496 5.715 1.00 0.00 C ATOM 0 H ILE A 11 -5.952 9.048 6.907 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.905 6.982 7.682 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.858 7.159 7.780 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.720 5.512 5.997 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.055 7.060 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.933 4.730 8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.726 5.656 9.546 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.709 4.799 8.335 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.648 5.200 4.668 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.741 6.184 5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.416 4.612 6.332 1.00 0.00 H new ATOM 187 N VAL A 12 -8.039 7.372 10.132 1.00 0.00 N ATOM 188 CA VAL A 12 -8.137 7.591 11.609 1.00 0.00 C ATOM 189 C VAL A 12 -8.643 6.309 12.269 1.00 0.00 C ATOM 190 O VAL A 12 -8.801 6.247 13.470 1.00 0.00 O ATOM 191 CB VAL A 12 -9.112 8.737 11.896 1.00 0.00 C ATOM 192 CG1 VAL A 12 -8.494 10.057 11.433 1.00 0.00 C ATOM 193 CG2 VAL A 12 -10.422 8.498 11.141 1.00 0.00 C ATOM 0 H VAL A 12 -8.837 6.891 9.718 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.156 7.849 12.009 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.313 8.782 12.966 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.186 10.874 11.636 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.561 10.230 11.969 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.294 10.009 10.363 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.114 9.314 11.346 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.222 8.453 10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.864 7.557 11.468 1.00 0.00 H new ATOM 203 N GLU A 13 -8.898 5.281 11.491 1.00 0.00 N ATOM 204 CA GLU A 13 -9.396 3.995 12.078 1.00 0.00 C ATOM 205 C GLU A 13 -8.727 2.813 11.374 1.00 0.00 C ATOM 206 O GLU A 13 -8.509 2.825 10.178 1.00 0.00 O ATOM 207 CB GLU A 13 -10.916 3.910 11.897 1.00 0.00 C ATOM 208 CG GLU A 13 -11.457 2.682 12.636 1.00 0.00 C ATOM 209 CD GLU A 13 -11.324 2.891 14.147 1.00 0.00 C ATOM 210 OE1 GLU A 13 -10.994 3.995 14.549 1.00 0.00 O ATOM 211 OE2 GLU A 13 -11.554 1.942 14.878 1.00 0.00 O ATOM 0 H GLU A 13 -8.783 5.278 10.478 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.153 3.962 13.140 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.389 4.814 12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.163 3.846 10.837 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -12.502 2.517 12.372 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.907 1.791 12.332 1.00 0.00 H new ATOM 218 N ASN A 14 -8.402 1.789 12.121 1.00 0.00 N ATOM 219 CA ASN A 14 -7.743 0.593 11.523 1.00 0.00 C ATOM 220 C ASN A 14 -8.801 -0.388 11.011 1.00 0.00 C ATOM 221 O ASN A 14 -9.953 -0.335 11.394 1.00 0.00 O ATOM 222 CB ASN A 14 -6.880 -0.093 12.584 1.00 0.00 C ATOM 223 CG ASN A 14 -7.764 -0.594 13.727 1.00 0.00 C ATOM 224 OD1 ASN A 14 -8.974 -0.581 13.629 1.00 0.00 O ATOM 225 ND2 ASN A 14 -7.201 -1.042 14.817 1.00 0.00 N ATOM 0 H ASN A 14 -8.567 1.731 13.126 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.118 0.908 10.688 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.337 -0.927 12.140 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -6.135 0.605 12.967 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.778 -1.381 15.587 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.184 -1.053 14.899 1.00 0.00 H new ATOM 232 N GLY A 15 -8.413 -1.284 10.141 1.00 0.00 N ATOM 233 CA GLY A 15 -9.386 -2.269 9.592 1.00 0.00 C ATOM 234 C GLY A 15 -10.165 -1.611 8.457 1.00 0.00 C ATOM 235 O GLY A 15 -11.189 -2.099 8.023 1.00 0.00 O ATOM 0 H GLY A 15 -7.461 -1.374 9.787 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.863 -3.153 9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.068 -2.602 10.374 1.00 0.00 H new ATOM 239 N GLN A 16 -9.683 -0.497 7.976 1.00 0.00 N ATOM 240 CA GLN A 16 -10.387 0.209 6.872 1.00 0.00 C ATOM 241 C GLN A 16 -10.084 -0.464 5.535 1.00 0.00 C ATOM 242 O GLN A 16 -8.946 -0.747 5.211 1.00 0.00 O ATOM 243 CB GLN A 16 -9.929 1.675 6.831 1.00 0.00 C ATOM 244 CG GLN A 16 -10.670 2.479 7.904 1.00 0.00 C ATOM 245 CD GLN A 16 -10.276 3.949 7.794 1.00 0.00 C ATOM 246 OE1 GLN A 16 -9.216 4.342 8.235 1.00 0.00 O ATOM 247 NE2 GLN A 16 -11.086 4.779 7.195 1.00 0.00 N ATOM 0 H GLN A 16 -8.829 -0.045 8.303 1.00 0.00 H new ATOM 0 HA GLN A 16 -11.462 0.166 7.049 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.853 1.735 6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -10.124 2.099 5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.747 2.369 7.778 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -10.424 2.098 8.895 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -11.976 4.445 6.825 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.829 5.761 7.096 1.00 0.00 H new ATOM 256 N TRP A 17 -11.105 -0.707 4.754 1.00 0.00 N ATOM 257 CA TRP A 17 -10.920 -1.350 3.418 1.00 0.00 C ATOM 258 C TRP A 17 -11.087 -0.292 2.329 1.00 0.00 C ATOM 259 O TRP A 17 -12.181 0.157 2.050 1.00 0.00 O ATOM 260 CB TRP A 17 -11.978 -2.443 3.244 1.00 0.00 C ATOM 261 CG TRP A 17 -11.679 -3.562 4.189 1.00 0.00 C ATOM 262 CD1 TRP A 17 -12.142 -3.654 5.457 1.00 0.00 C ATOM 263 CD2 TRP A 17 -10.857 -4.744 3.966 1.00 0.00 C ATOM 264 NE1 TRP A 17 -11.655 -4.817 6.027 1.00 0.00 N ATOM 265 CE2 TRP A 17 -10.859 -5.523 5.147 1.00 0.00 C ATOM 266 CE3 TRP A 17 -10.117 -5.210 2.865 1.00 0.00 C ATOM 267 CZ2 TRP A 17 -10.152 -6.723 5.232 1.00 0.00 C ATOM 268 CZ3 TRP A 17 -9.404 -6.417 2.946 1.00 0.00 C ATOM 269 CH2 TRP A 17 -9.422 -7.172 4.128 1.00 0.00 C ATOM 0 H TRP A 17 -12.072 -0.484 4.989 1.00 0.00 H new ATOM 0 HA TRP A 17 -9.926 -1.790 3.345 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -12.972 -2.040 3.439 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -11.978 -2.807 2.217 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -12.786 -2.937 5.944 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -11.859 -5.116 6.981 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -10.097 -4.636 1.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.169 -7.301 6.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -8.839 -6.766 2.094 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -8.872 -8.100 4.185 1.00 0.00 H new ATOM 280 N ALA A 18 -10.010 0.117 1.711 1.00 0.00 N ATOM 281 CA ALA A 18 -10.118 1.155 0.642 1.00 0.00 C ATOM 282 C ALA A 18 -8.916 1.061 -0.296 1.00 0.00 C ATOM 283 O ALA A 18 -8.064 0.206 -0.145 1.00 0.00 O ATOM 284 CB ALA A 18 -10.166 2.550 1.279 1.00 0.00 C ATOM 0 H ALA A 18 -9.066 -0.220 1.898 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.032 0.986 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.245 3.305 0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.031 2.619 1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.256 2.718 1.855 1.00 0.00 H new ATOM 290 N ASN A 19 -8.847 1.934 -1.269 1.00 0.00 N ATOM 291 CA ASN A 19 -7.709 1.915 -2.240 1.00 0.00 C ATOM 292 C ASN A 19 -6.733 3.047 -1.912 1.00 0.00 C ATOM 293 O ASN A 19 -7.131 4.137 -1.544 1.00 0.00 O ATOM 294 CB ASN A 19 -8.263 2.114 -3.651 1.00 0.00 C ATOM 295 CG ASN A 19 -7.107 2.262 -4.641 1.00 0.00 C ATOM 296 OD1 ASN A 19 -6.874 1.394 -5.456 1.00 0.00 O ATOM 297 ND2 ASN A 19 -6.369 3.338 -4.602 1.00 0.00 N ATOM 0 H ASN A 19 -9.537 2.667 -1.434 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.185 0.961 -2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.888 1.265 -3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.897 3.000 -3.682 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.595 3.450 -5.257 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.566 4.067 -3.916 1.00 0.00 H new ATOM 304 N LEU A 20 -5.452 2.791 -2.041 1.00 0.00 N ATOM 305 CA LEU A 20 -4.430 3.840 -1.737 1.00 0.00 C ATOM 306 C LEU A 20 -3.376 3.877 -2.839 1.00 0.00 C ATOM 307 O LEU A 20 -3.085 2.885 -3.476 1.00 0.00 O ATOM 308 CB LEU A 20 -3.757 3.511 -0.406 1.00 0.00 C ATOM 309 CG LEU A 20 -4.792 3.574 0.725 1.00 0.00 C ATOM 310 CD1 LEU A 20 -4.161 3.047 2.017 1.00 0.00 C ATOM 311 CD2 LEU A 20 -5.265 5.025 0.940 1.00 0.00 C ATOM 0 H LEU A 20 -5.070 1.895 -2.345 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.919 4.813 -1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.311 2.518 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.948 4.216 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.651 2.961 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.893 3.090 2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.842 2.015 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.298 3.660 2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.999 5.053 1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.412 5.650 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.719 5.399 0.022 1.00 0.00 H new ATOM 323 N LYS A 21 -2.800 5.030 -3.058 1.00 0.00 N ATOM 324 CA LYS A 21 -1.752 5.184 -4.108 1.00 0.00 C ATOM 325 C LYS A 21 -0.594 6.000 -3.535 1.00 0.00 C ATOM 326 O LYS A 21 -0.799 6.964 -2.827 1.00 0.00 O ATOM 327 CB LYS A 21 -2.350 5.913 -5.309 1.00 0.00 C ATOM 328 CG LYS A 21 -1.250 6.186 -6.336 1.00 0.00 C ATOM 329 CD LYS A 21 -1.875 6.649 -7.652 1.00 0.00 C ATOM 330 CE LYS A 21 -2.584 7.991 -7.449 1.00 0.00 C ATOM 331 NZ LYS A 21 -2.829 8.626 -8.774 1.00 0.00 N ATOM 0 H LYS A 21 -3.016 5.885 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.389 4.206 -4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.140 5.311 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.806 6.850 -4.990 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.568 6.948 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.661 5.284 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.104 6.747 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.585 5.903 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.528 7.841 -6.925 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.975 8.646 -6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.311 9.538 -8.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.921 8.782 -9.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.426 8.002 -9.353 1.00 0.00 H new ATOM 345 N ALA A 22 0.620 5.621 -3.824 1.00 0.00 N ATOM 346 CA ALA A 22 1.775 6.387 -3.277 1.00 0.00 C ATOM 347 C ALA A 22 3.064 5.989 -3.992 1.00 0.00 C ATOM 348 O ALA A 22 3.046 5.275 -4.975 1.00 0.00 O ATOM 349 CB ALA A 22 1.928 6.099 -1.786 1.00 0.00 C ATOM 0 H ALA A 22 0.861 4.822 -4.410 1.00 0.00 H new ATOM 0 HA ALA A 22 1.588 7.449 -3.433 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.774 6.662 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.019 6.396 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.100 5.033 -1.637 1.00 0.00 H new ATOM 355 N LYS A 23 4.184 6.458 -3.494 1.00 0.00 N ATOM 356 CA LYS A 23 5.503 6.135 -4.122 1.00 0.00 C ATOM 357 C LYS A 23 6.404 5.452 -3.097 1.00 0.00 C ATOM 358 O LYS A 23 6.367 5.751 -1.921 1.00 0.00 O ATOM 359 CB LYS A 23 6.154 7.431 -4.608 1.00 0.00 C ATOM 360 CG LYS A 23 6.502 8.323 -3.411 1.00 0.00 C ATOM 361 CD LYS A 23 6.973 9.698 -3.904 1.00 0.00 C ATOM 362 CE LYS A 23 8.304 9.563 -4.650 1.00 0.00 C ATOM 363 NZ LYS A 23 8.945 10.903 -4.772 1.00 0.00 N ATOM 0 H LYS A 23 4.240 7.057 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 23 5.356 5.462 -4.967 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.055 7.204 -5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.477 7.958 -5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.631 8.437 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.283 7.855 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.221 10.134 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.088 10.376 -3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.964 8.880 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.137 9.137 -5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.849 10.811 -5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.316 11.542 -5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.118 11.293 -3.823 1.00 0.00 H new ATOM 377 N VAL A 24 7.208 4.520 -3.536 1.00 0.00 N ATOM 378 CA VAL A 24 8.105 3.800 -2.585 1.00 0.00 C ATOM 379 C VAL A 24 9.373 4.617 -2.325 1.00 0.00 C ATOM 380 O VAL A 24 10.049 5.047 -3.238 1.00 0.00 O ATOM 381 CB VAL A 24 8.478 2.442 -3.180 1.00 0.00 C ATOM 382 CG1 VAL A 24 9.505 1.749 -2.282 1.00 0.00 C ATOM 383 CG2 VAL A 24 7.221 1.574 -3.276 1.00 0.00 C ATOM 0 H VAL A 24 7.282 4.227 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 24 7.584 3.659 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 24 8.906 2.585 -4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.768 0.782 -2.710 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.399 2.368 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.080 1.603 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.480 0.604 -3.700 1.00 0.00 H new ATOM 0 HG22 VAL A 24 6.799 1.434 -2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.488 2.065 -3.916 1.00 0.00 H new ATOM 393 N ILE A 25 9.699 4.820 -1.073 1.00 0.00 N ATOM 394 CA ILE A 25 10.925 5.596 -0.710 1.00 0.00 C ATOM 395 C ILE A 25 12.030 4.623 -0.299 1.00 0.00 C ATOM 396 O ILE A 25 13.138 4.681 -0.793 1.00 0.00 O ATOM 397 CB ILE A 25 10.606 6.523 0.465 1.00 0.00 C ATOM 398 CG1 ILE A 25 9.619 7.605 0.010 1.00 0.00 C ATOM 399 CG2 ILE A 25 11.894 7.179 0.972 1.00 0.00 C ATOM 400 CD1 ILE A 25 9.091 8.379 1.226 1.00 0.00 C ATOM 0 H ILE A 25 9.161 4.477 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 25 11.254 6.187 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 25 10.160 5.942 1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.110 8.289 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.789 7.148 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.662 7.838 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.590 6.407 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.348 7.759 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.391 9.145 0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.583 7.692 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.924 8.850 1.747 1.00 0.00 H new ATOM 412 N GLN A 26 11.735 3.727 0.608 1.00 0.00 N ATOM 413 CA GLN A 26 12.762 2.744 1.059 1.00 0.00 C ATOM 414 C GLN A 26 12.075 1.415 1.376 1.00 0.00 C ATOM 415 O GLN A 26 10.961 1.383 1.865 1.00 0.00 O ATOM 416 CB GLN A 26 13.460 3.271 2.319 1.00 0.00 C ATOM 417 CG GLN A 26 14.544 2.278 2.753 1.00 0.00 C ATOM 418 CD GLN A 26 15.277 2.817 3.982 1.00 0.00 C ATOM 419 OE1 GLN A 26 14.679 3.023 5.019 1.00 0.00 O ATOM 420 NE2 GLN A 26 16.558 3.054 3.909 1.00 0.00 N ATOM 0 H GLN A 26 10.823 3.635 1.056 1.00 0.00 H new ATOM 0 HA GLN A 26 13.502 2.599 0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.903 4.247 2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.734 3.407 3.120 1.00 0.00 H new ATOM 0 HG2 GLN A 26 14.095 1.311 2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 26 15.250 2.117 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 26 17.060 2.881 3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 26 17.058 3.412 4.723 1.00 0.00 H new ATOM 429 N LEU A 27 12.741 0.319 1.099 1.00 0.00 N ATOM 430 CA LEU A 27 12.151 -1.026 1.373 1.00 0.00 C ATOM 431 C LEU A 27 13.175 -1.898 2.101 1.00 0.00 C ATOM 432 O LEU A 27 14.322 -1.984 1.707 1.00 0.00 O ATOM 433 CB LEU A 27 11.750 -1.691 0.047 1.00 0.00 C ATOM 434 CG LEU A 27 12.822 -1.418 -1.038 1.00 0.00 C ATOM 435 CD1 LEU A 27 12.904 -2.609 -2.001 1.00 0.00 C ATOM 436 CD2 LEU A 27 12.457 -0.156 -1.838 1.00 0.00 C ATOM 0 H LEU A 27 13.676 0.301 0.691 1.00 0.00 H new ATOM 0 HA LEU A 27 11.267 -0.913 2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 27 11.635 -2.765 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.784 -1.308 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 27 13.784 -1.273 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.659 -2.411 -2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.175 -3.507 -1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.936 -2.756 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.217 0.026 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.490 -0.298 -2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.405 0.699 -1.164 1.00 0.00 H new ATOM 448 N TRP A 28 12.761 -2.548 3.160 1.00 0.00 N ATOM 449 CA TRP A 28 13.687 -3.429 3.937 1.00 0.00 C ATOM 450 C TRP A 28 13.255 -4.887 3.773 1.00 0.00 C ATOM 451 O TRP A 28 12.086 -5.210 3.840 1.00 0.00 O ATOM 452 CB TRP A 28 13.629 -3.031 5.411 1.00 0.00 C ATOM 453 CG TRP A 28 14.346 -1.732 5.595 1.00 0.00 C ATOM 454 CD1 TRP A 28 13.751 -0.522 5.710 1.00 0.00 C ATOM 455 CD2 TRP A 28 15.780 -1.493 5.681 1.00 0.00 C ATOM 456 NE1 TRP A 28 14.730 0.444 5.862 1.00 0.00 N ATOM 457 CE2 TRP A 28 15.997 -0.106 5.852 1.00 0.00 C ATOM 458 CE3 TRP A 28 16.903 -2.338 5.629 1.00 0.00 C ATOM 459 CZ2 TRP A 28 17.283 0.425 5.966 1.00 0.00 C ATOM 460 CZ3 TRP A 28 18.198 -1.808 5.743 1.00 0.00 C ATOM 461 CH2 TRP A 28 18.388 -0.430 5.913 1.00 0.00 C ATOM 0 H TRP A 28 11.809 -2.505 3.524 1.00 0.00 H new ATOM 0 HA TRP A 28 14.707 -3.316 3.570 1.00 0.00 H new ATOM 0 HB2 TRP A 28 12.592 -2.938 5.735 1.00 0.00 H new ATOM 0 HB3 TRP A 28 14.087 -3.804 6.028 1.00 0.00 H new ATOM 0 HD1 TRP A 28 12.687 -0.340 5.687 1.00 0.00 H new ATOM 0 HE1 TRP A 28 14.539 1.440 5.968 1.00 0.00 H new ATOM 0 HE3 TRP A 28 16.768 -3.402 5.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 17.423 1.488 6.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 19.053 -2.466 5.699 1.00 0.00 H new ATOM 0 HH2 TRP A 28 19.387 -0.029 6.003 1.00 0.00 H new ATOM 472 N GLU A 29 14.194 -5.768 3.546 1.00 0.00 N ATOM 473 CA GLU A 29 13.852 -7.210 3.361 1.00 0.00 C ATOM 474 C GLU A 29 13.900 -7.938 4.702 1.00 0.00 C ATOM 475 O GLU A 29 14.802 -7.745 5.492 1.00 0.00 O ATOM 476 CB GLU A 29 14.857 -7.842 2.394 1.00 0.00 C ATOM 477 CG GLU A 29 14.495 -9.310 2.160 1.00 0.00 C ATOM 478 CD GLU A 29 15.446 -9.916 1.128 1.00 0.00 C ATOM 479 OE1 GLU A 29 16.120 -9.155 0.454 1.00 0.00 O ATOM 480 OE2 GLU A 29 15.483 -11.131 1.027 1.00 0.00 O ATOM 0 H GLU A 29 15.188 -5.550 3.480 1.00 0.00 H new ATOM 0 HA GLU A 29 12.844 -7.293 2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.855 -7.302 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 29 15.865 -7.767 2.802 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.558 -9.864 3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.465 -9.390 1.811 1.00 0.00 H new ATOM 547 N SER A 34 6.527 -15.370 5.870 1.00 0.00 N ATOM 548 CA SER A 34 5.162 -14.776 5.944 1.00 0.00 C ATOM 549 C SER A 34 5.182 -13.358 5.377 1.00 0.00 C ATOM 550 O SER A 34 4.228 -12.914 4.770 1.00 0.00 O ATOM 551 CB SER A 34 4.716 -14.725 7.403 1.00 0.00 C ATOM 552 OG SER A 34 5.579 -13.853 8.124 1.00 0.00 O ATOM 0 HA SER A 34 4.471 -15.387 5.364 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.686 -14.374 7.469 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.741 -15.724 7.839 1.00 0.00 H new ATOM 0 HG SER A 34 6.500 -13.974 7.813 1.00 0.00 H new ATOM 558 N ILE A 35 6.264 -12.644 5.572 1.00 0.00 N ATOM 559 CA ILE A 35 6.368 -11.243 5.052 1.00 0.00 C ATOM 560 C ILE A 35 7.559 -11.128 4.103 1.00 0.00 C ATOM 561 O ILE A 35 8.642 -11.600 4.384 1.00 0.00 O ATOM 562 CB ILE A 35 6.550 -10.276 6.224 1.00 0.00 C ATOM 563 CG1 ILE A 35 5.279 -10.280 7.079 1.00 0.00 C ATOM 564 CG2 ILE A 35 6.813 -8.864 5.688 1.00 0.00 C ATOM 565 CD1 ILE A 35 5.547 -9.548 8.394 1.00 0.00 C ATOM 0 H ILE A 35 7.088 -12.975 6.074 1.00 0.00 H new ATOM 0 HA ILE A 35 5.456 -10.992 4.511 1.00 0.00 H new ATOM 0 HB ILE A 35 7.398 -10.589 6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.464 -9.796 6.541 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.965 -11.305 7.278 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.942 -8.176 6.523 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.717 -8.869 5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.967 -8.542 5.081 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.643 -9.551 9.003 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.349 -10.051 8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.840 -8.519 8.185 1.00 0.00 H new ATOM 577 N SER A 36 7.356 -10.504 2.976 1.00 0.00 N ATOM 578 CA SER A 36 8.459 -10.348 1.988 1.00 0.00 C ATOM 579 C SER A 36 9.297 -9.117 2.337 1.00 0.00 C ATOM 580 O SER A 36 10.428 -9.231 2.778 1.00 0.00 O ATOM 581 CB SER A 36 7.861 -10.171 0.592 1.00 0.00 C ATOM 582 OG SER A 36 8.911 -10.108 -0.363 1.00 0.00 O ATOM 0 H SER A 36 6.466 -10.092 2.695 1.00 0.00 H new ATOM 0 HA SER A 36 9.093 -11.234 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.193 -11.001 0.362 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.263 -9.261 0.553 1.00 0.00 H new ATOM 0 HG SER A 36 8.531 -9.996 -1.260 1.00 0.00 H new ATOM 588 N GLN A 37 8.758 -7.937 2.129 1.00 0.00 N ATOM 589 CA GLN A 37 9.530 -6.689 2.428 1.00 0.00 C ATOM 590 C GLN A 37 8.661 -5.695 3.196 1.00 0.00 C ATOM 591 O GLN A 37 7.447 -5.724 3.134 1.00 0.00 O ATOM 592 CB GLN A 37 9.970 -6.048 1.110 1.00 0.00 C ATOM 593 CG GLN A 37 10.875 -7.021 0.353 1.00 0.00 C ATOM 594 CD GLN A 37 11.471 -6.324 -0.869 1.00 0.00 C ATOM 595 OE1 GLN A 37 12.500 -5.687 -0.778 1.00 0.00 O ATOM 596 NE2 GLN A 37 10.860 -6.414 -2.016 1.00 0.00 N ATOM 0 H GLN A 37 7.817 -7.786 1.765 1.00 0.00 H new ATOM 0 HA GLN A 37 10.398 -6.946 3.036 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.098 -5.798 0.505 1.00 0.00 H new ATOM 0 HB3 GLN A 37 10.501 -5.116 1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.672 -7.375 1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 37 10.305 -7.897 0.042 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.995 -6.949 -2.093 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.246 -5.949 -2.838 1.00 0.00 H new ATOM 605 N VAL A 38 9.293 -4.806 3.917 1.00 0.00 N ATOM 606 CA VAL A 38 8.546 -3.782 4.704 1.00 0.00 C ATOM 607 C VAL A 38 9.278 -2.446 4.586 1.00 0.00 C ATOM 608 O VAL A 38 10.492 -2.392 4.615 1.00 0.00 O ATOM 609 CB VAL A 38 8.482 -4.213 6.173 1.00 0.00 C ATOM 610 CG1 VAL A 38 9.884 -4.577 6.670 1.00 0.00 C ATOM 611 CG2 VAL A 38 7.925 -3.065 7.020 1.00 0.00 C ATOM 0 H VAL A 38 10.308 -4.746 3.994 1.00 0.00 H new ATOM 0 HA VAL A 38 7.531 -3.681 4.321 1.00 0.00 H new ATOM 0 HB VAL A 38 7.831 -5.083 6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.832 -4.883 7.715 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.281 -5.397 6.072 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.539 -3.711 6.578 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.880 -3.372 8.065 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.575 -2.195 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.924 -2.810 6.673 1.00 0.00 H new ATOM 621 N GLY A 39 8.558 -1.367 4.451 1.00 0.00 N ATOM 622 CA GLY A 39 9.236 -0.046 4.329 1.00 0.00 C ATOM 623 C GLY A 39 8.225 1.081 4.495 1.00 0.00 C ATOM 624 O GLY A 39 7.263 0.960 5.228 1.00 0.00 O ATOM 0 H GLY A 39 7.539 -1.342 4.420 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.017 0.042 5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.723 0.033 3.357 1.00 0.00 H new ATOM 628 N LEU A 40 8.443 2.188 3.819 1.00 0.00 N ATOM 629 CA LEU A 40 7.503 3.347 3.934 1.00 0.00 C ATOM 630 C LEU A 40 7.176 3.894 2.543 1.00 0.00 C ATOM 631 O LEU A 40 7.962 3.788 1.623 1.00 0.00 O ATOM 632 CB LEU A 40 8.158 4.450 4.782 1.00 0.00 C ATOM 633 CG LEU A 40 9.681 4.503 4.500 1.00 0.00 C ATOM 634 CD1 LEU A 40 10.185 5.946 4.619 1.00 0.00 C ATOM 635 CD2 LEU A 40 10.438 3.628 5.511 1.00 0.00 C ATOM 0 H LEU A 40 9.234 2.336 3.192 1.00 0.00 H new ATOM 0 HA LEU A 40 6.580 3.017 4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.704 5.414 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.982 4.259 5.841 1.00 0.00 H new ATOM 0 HG LEU A 40 9.858 4.132 3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.256 5.975 4.419 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.664 6.574 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.993 6.316 5.626 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.507 3.673 5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.249 3.993 6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.096 2.597 5.428 1.00 0.00 H new ATOM 647 N LEU A 41 6.012 4.484 2.395 1.00 0.00 N ATOM 648 CA LEU A 41 5.601 5.057 1.078 1.00 0.00 C ATOM 649 C LEU A 41 5.459 6.570 1.209 1.00 0.00 C ATOM 650 O LEU A 41 4.839 7.074 2.127 1.00 0.00 O ATOM 651 CB LEU A 41 4.260 4.455 0.661 1.00 0.00 C ATOM 652 CG LEU A 41 4.365 2.928 0.644 1.00 0.00 C ATOM 653 CD1 LEU A 41 3.009 2.335 0.260 1.00 0.00 C ATOM 654 CD2 LEU A 41 5.429 2.482 -0.373 1.00 0.00 C ATOM 0 H LEU A 41 5.324 4.592 3.140 1.00 0.00 H new ATOM 0 HA LEU A 41 6.355 4.825 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.479 4.768 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.977 4.821 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 41 4.655 2.577 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.078 1.247 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.258 2.642 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.722 2.693 -0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.495 1.394 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.151 2.832 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.396 2.903 -0.097 1.00 0.00 H new ATOM 666 N GLY A 42 6.046 7.293 0.296 1.00 0.00 N ATOM 667 CA GLY A 42 5.977 8.777 0.346 1.00 0.00 C ATOM 668 C GLY A 42 4.650 9.273 -0.224 1.00 0.00 C ATOM 669 O GLY A 42 3.971 8.579 -0.955 1.00 0.00 O ATOM 0 H GLY A 42 6.575 6.914 -0.489 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.086 9.117 1.376 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.805 9.204 -0.220 1.00 0.00 H new ATOM 673 N ASP A 43 4.299 10.487 0.105 1.00 0.00 N ATOM 674 CA ASP A 43 3.031 11.079 -0.401 1.00 0.00 C ATOM 675 C ASP A 43 2.966 12.546 0.034 1.00 0.00 C ATOM 676 O ASP A 43 3.441 12.912 1.091 1.00 0.00 O ATOM 677 CB ASP A 43 1.831 10.323 0.174 1.00 0.00 C ATOM 678 CG ASP A 43 0.545 10.847 -0.467 1.00 0.00 C ATOM 679 OD1 ASP A 43 0.511 10.951 -1.681 1.00 0.00 O ATOM 680 OD2 ASP A 43 -0.385 11.138 0.269 1.00 0.00 O ATOM 0 H ASP A 43 4.845 11.100 0.711 1.00 0.00 H new ATOM 0 HA ASP A 43 3.003 11.007 -1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.936 9.255 -0.016 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.790 10.452 1.256 1.00 0.00 H new ATOM 685 N GLU A 44 2.391 13.387 -0.778 1.00 0.00 N ATOM 686 CA GLU A 44 2.297 14.831 -0.429 1.00 0.00 C ATOM 687 C GLU A 44 1.569 14.998 0.908 1.00 0.00 C ATOM 688 O GLU A 44 1.610 16.046 1.518 1.00 0.00 O ATOM 689 CB GLU A 44 1.524 15.558 -1.529 1.00 0.00 C ATOM 690 CG GLU A 44 2.352 15.549 -2.818 1.00 0.00 C ATOM 691 CD GLU A 44 1.551 16.200 -3.947 1.00 0.00 C ATOM 692 OE1 GLU A 44 0.420 16.586 -3.699 1.00 0.00 O ATOM 693 OE2 GLU A 44 2.080 16.297 -5.041 1.00 0.00 O ATOM 0 H GLU A 44 1.979 13.134 -1.676 1.00 0.00 H new ATOM 0 HA GLU A 44 3.299 15.252 -0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.563 15.072 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.314 16.583 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.287 16.087 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.613 14.526 -3.087 1.00 0.00 H new ATOM 700 N THR A 45 0.899 13.973 1.366 1.00 0.00 N ATOM 701 CA THR A 45 0.162 14.075 2.662 1.00 0.00 C ATOM 702 C THR A 45 1.038 13.548 3.801 1.00 0.00 C ATOM 703 O THR A 45 0.695 13.680 4.958 1.00 0.00 O ATOM 704 CB THR A 45 -1.122 13.245 2.577 1.00 0.00 C ATOM 705 OG1 THR A 45 -0.789 11.866 2.498 1.00 0.00 O ATOM 706 CG2 THR A 45 -1.912 13.656 1.333 1.00 0.00 C ATOM 0 H THR A 45 0.830 13.069 0.899 1.00 0.00 H new ATOM 0 HA THR A 45 -0.086 15.118 2.857 1.00 0.00 H new ATOM 0 HB THR A 45 -1.730 13.420 3.465 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.975 11.536 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.826 13.066 1.271 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.167 14.714 1.397 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.307 13.481 0.443 1.00 0.00 H new ATOM 714 N GLY A 46 2.173 12.963 3.489 1.00 0.00 N ATOM 715 CA GLY A 46 3.076 12.445 4.569 1.00 0.00 C ATOM 716 C GLY A 46 3.659 11.085 4.175 1.00 0.00 C ATOM 717 O GLY A 46 3.737 10.743 3.011 1.00 0.00 O ATOM 0 H GLY A 46 2.512 12.822 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.883 13.155 4.748 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.520 12.352 5.502 1.00 0.00 H new ATOM 721 N ILE A 47 4.069 10.311 5.154 1.00 0.00 N ATOM 722 CA ILE A 47 4.659 8.960 4.882 1.00 0.00 C ATOM 723 C ILE A 47 3.888 7.899 5.666 1.00 0.00 C ATOM 724 O ILE A 47 3.305 8.177 6.694 1.00 0.00 O ATOM 725 CB ILE A 47 6.130 8.951 5.323 1.00 0.00 C ATOM 726 CG1 ILE A 47 6.243 9.294 6.818 1.00 0.00 C ATOM 727 CG2 ILE A 47 6.917 9.982 4.508 1.00 0.00 C ATOM 728 CD1 ILE A 47 7.701 9.155 7.264 1.00 0.00 C ATOM 0 H ILE A 47 4.019 10.562 6.141 1.00 0.00 H new ATOM 0 HA ILE A 47 4.594 8.742 3.816 1.00 0.00 H new ATOM 0 HB ILE A 47 6.539 7.955 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.892 10.310 6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.607 8.630 7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.961 9.974 4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.855 9.732 3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.496 10.974 4.672 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.782 9.398 8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.036 8.131 7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.325 9.837 6.687 1.00 0.00 H new ATOM 740 N ILE A 48 3.884 6.680 5.192 1.00 0.00 N ATOM 741 CA ILE A 48 3.153 5.599 5.920 1.00 0.00 C ATOM 742 C ILE A 48 3.876 4.265 5.735 1.00 0.00 C ATOM 743 O ILE A 48 4.508 4.024 4.727 1.00 0.00 O ATOM 744 CB ILE A 48 1.727 5.487 5.390 1.00 0.00 C ATOM 745 CG1 ILE A 48 0.966 4.456 6.222 1.00 0.00 C ATOM 746 CG2 ILE A 48 1.756 5.045 3.926 1.00 0.00 C ATOM 747 CD1 ILE A 48 -0.526 4.547 5.905 1.00 0.00 C ATOM 0 H ILE A 48 4.353 6.387 4.335 1.00 0.00 H new ATOM 0 HA ILE A 48 3.123 5.846 6.981 1.00 0.00 H new ATOM 0 HB ILE A 48 1.231 6.455 5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.334 3.454 6.004 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.135 4.634 7.284 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.736 4.966 3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.305 5.778 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.248 4.075 3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.070 3.812 6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.889 5.547 6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.686 4.348 4.845 1.00 0.00 H new ATOM 759 N LYS A 49 3.784 3.404 6.709 1.00 0.00 N ATOM 760 CA LYS A 49 4.463 2.081 6.621 1.00 0.00 C ATOM 761 C LYS A 49 3.600 1.098 5.837 1.00 0.00 C ATOM 762 O LYS A 49 2.388 1.167 5.861 1.00 0.00 O ATOM 763 CB LYS A 49 4.680 1.548 8.038 1.00 0.00 C ATOM 764 CG LYS A 49 5.655 2.471 8.797 1.00 0.00 C ATOM 765 CD LYS A 49 7.114 2.057 8.520 1.00 0.00 C ATOM 766 CE LYS A 49 7.547 0.976 9.515 1.00 0.00 C ATOM 767 NZ LYS A 49 8.910 0.491 9.160 1.00 0.00 N ATOM 0 H LYS A 49 3.262 3.562 7.571 1.00 0.00 H new ATOM 0 HA LYS A 49 5.418 2.195 6.109 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.728 1.495 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.080 0.535 7.999 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.500 3.505 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.453 2.422 9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.208 1.684 7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.769 2.924 8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.545 1.378 10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.839 0.147 9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.204 -0.243 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.897 0.093 8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.581 1.284 9.197 1.00 0.00 H new ATOM 781 N PHE A 50 4.218 0.178 5.140 1.00 0.00 N ATOM 782 CA PHE A 50 3.433 -0.816 4.352 1.00 0.00 C ATOM 783 C PHE A 50 4.138 -2.169 4.395 1.00 0.00 C ATOM 784 O PHE A 50 5.345 -2.249 4.557 1.00 0.00 O ATOM 785 CB PHE A 50 3.314 -0.340 2.899 1.00 0.00 C ATOM 786 CG PHE A 50 4.634 -0.515 2.173 1.00 0.00 C ATOM 787 CD1 PHE A 50 5.705 0.347 2.437 1.00 0.00 C ATOM 788 CD2 PHE A 50 4.775 -1.536 1.223 1.00 0.00 C ATOM 789 CE1 PHE A 50 6.918 0.184 1.754 1.00 0.00 C ATOM 790 CE2 PHE A 50 5.987 -1.698 0.544 1.00 0.00 C ATOM 791 CZ PHE A 50 7.058 -0.838 0.807 1.00 0.00 C ATOM 0 H PHE A 50 5.231 0.074 5.084 1.00 0.00 H new ATOM 0 HA PHE A 50 2.436 -0.915 4.780 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.534 -0.904 2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.016 0.708 2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.597 1.137 3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 50 3.947 -2.198 1.015 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.746 0.847 1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.096 -2.488 -0.184 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.993 -0.962 0.280 1.00 0.00 H new ATOM 801 N THR A 51 3.388 -3.229 4.241 1.00 0.00 N ATOM 802 CA THR A 51 3.983 -4.596 4.261 1.00 0.00 C ATOM 803 C THR A 51 3.417 -5.407 3.099 1.00 0.00 C ATOM 804 O THR A 51 2.231 -5.386 2.837 1.00 0.00 O ATOM 805 CB THR A 51 3.632 -5.280 5.582 1.00 0.00 C ATOM 806 OG1 THR A 51 4.115 -4.493 6.661 1.00 0.00 O ATOM 807 CG2 THR A 51 4.281 -6.660 5.626 1.00 0.00 C ATOM 0 H THR A 51 2.378 -3.204 4.101 1.00 0.00 H new ATOM 0 HA THR A 51 5.067 -4.529 4.164 1.00 0.00 H new ATOM 0 HB THR A 51 2.550 -5.386 5.664 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.890 -4.928 7.510 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.032 -7.149 6.568 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.912 -7.262 4.795 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.363 -6.556 5.547 1.00 0.00 H new ATOM 815 N ILE A 52 4.258 -6.122 2.396 1.00 0.00 N ATOM 816 CA ILE A 52 3.777 -6.943 1.243 1.00 0.00 C ATOM 817 C ILE A 52 3.677 -8.406 1.663 1.00 0.00 C ATOM 818 O ILE A 52 4.622 -8.989 2.154 1.00 0.00 O ATOM 819 CB ILE A 52 4.765 -6.816 0.085 1.00 0.00 C ATOM 820 CG1 ILE A 52 4.845 -5.350 -0.346 1.00 0.00 C ATOM 821 CG2 ILE A 52 4.287 -7.674 -1.087 1.00 0.00 C ATOM 822 CD1 ILE A 52 5.974 -5.169 -1.363 1.00 0.00 C ATOM 0 H ILE A 52 5.261 -6.173 2.572 1.00 0.00 H new ATOM 0 HA ILE A 52 2.795 -6.588 0.929 1.00 0.00 H new ATOM 0 HB ILE A 52 5.751 -7.157 0.400 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.896 -5.038 -0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.020 -4.715 0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.991 -7.585 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.226 -8.716 -0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.303 -7.334 -1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.026 -4.123 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.921 -5.464 -0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.780 -5.791 -2.237 1.00 0.00 H new ATOM 834 N TRP A 53 2.532 -9.002 1.472 1.00 0.00 N ATOM 835 CA TRP A 53 2.351 -10.429 1.856 1.00 0.00 C ATOM 836 C TRP A 53 2.572 -11.320 0.632 1.00 0.00 C ATOM 837 O TRP A 53 2.154 -11.002 -0.464 1.00 0.00 O ATOM 838 CB TRP A 53 0.932 -10.621 2.388 1.00 0.00 C ATOM 839 CG TRP A 53 0.799 -9.889 3.686 1.00 0.00 C ATOM 840 CD1 TRP A 53 0.411 -8.600 3.816 1.00 0.00 C ATOM 841 CD2 TRP A 53 1.056 -10.376 5.034 1.00 0.00 C ATOM 842 NE1 TRP A 53 0.407 -8.266 5.157 1.00 0.00 N ATOM 843 CE2 TRP A 53 0.798 -9.327 5.949 1.00 0.00 C ATOM 844 CE3 TRP A 53 1.481 -11.615 5.548 1.00 0.00 C ATOM 845 CZ2 TRP A 53 0.958 -9.502 7.324 1.00 0.00 C ATOM 846 CZ3 TRP A 53 1.641 -11.794 6.931 1.00 0.00 C ATOM 847 CH2 TRP A 53 1.381 -10.738 7.818 1.00 0.00 C ATOM 0 H TRP A 53 1.709 -8.558 1.064 1.00 0.00 H new ATOM 0 HA TRP A 53 3.071 -10.701 2.627 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.205 -10.246 1.667 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.723 -11.681 2.530 1.00 0.00 H new ATOM 0 HD1 TRP A 53 0.147 -7.939 3.004 1.00 0.00 H new ATOM 0 HE1 TRP A 53 0.147 -7.348 5.517 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.685 -12.434 4.874 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.756 -8.686 8.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.966 -12.750 7.315 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.508 -10.881 8.881 1.00 0.00 H new ATOM 858 N LYS A 54 3.227 -12.430 0.815 1.00 0.00 N ATOM 859 CA LYS A 54 3.483 -13.349 -0.326 1.00 0.00 C ATOM 860 C LYS A 54 2.221 -14.166 -0.604 1.00 0.00 C ATOM 861 O LYS A 54 2.111 -14.840 -1.609 1.00 0.00 O ATOM 862 CB LYS A 54 4.637 -14.285 0.032 1.00 0.00 C ATOM 863 CG LYS A 54 5.919 -13.460 0.213 1.00 0.00 C ATOM 864 CD LYS A 54 7.090 -14.382 0.583 1.00 0.00 C ATOM 865 CE LYS A 54 7.644 -15.068 -0.673 1.00 0.00 C ATOM 866 NZ LYS A 54 8.916 -15.769 -0.336 1.00 0.00 N ATOM 0 H LYS A 54 3.599 -12.742 1.712 1.00 0.00 H new ATOM 0 HA LYS A 54 3.746 -12.775 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.408 -14.830 0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.776 -15.027 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.147 -12.921 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.773 -12.713 0.993 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.877 -13.805 1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.758 -15.133 1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.916 -15.780 -1.063 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.819 -14.330 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.292 -16.234 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.610 -15.079 0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.735 -16.484 0.398 1.00 0.00 H new ATOM 919 N LEU A 58 2.352 -11.214 -5.027 1.00 0.00 N ATOM 920 CA LEU A 58 2.536 -9.954 -5.812 1.00 0.00 C ATOM 921 C LEU A 58 4.031 -9.755 -6.128 1.00 0.00 C ATOM 922 O LEU A 58 4.885 -10.134 -5.350 1.00 0.00 O ATOM 923 CB LEU A 58 2.041 -8.771 -4.978 1.00 0.00 C ATOM 924 CG LEU A 58 0.649 -9.080 -4.421 1.00 0.00 C ATOM 925 CD1 LEU A 58 0.172 -7.899 -3.572 1.00 0.00 C ATOM 926 CD2 LEU A 58 -0.334 -9.313 -5.577 1.00 0.00 C ATOM 0 HA LEU A 58 1.973 -10.019 -6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.735 -8.574 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.006 -7.870 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 58 0.696 -9.979 -3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.819 -8.115 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.868 -7.739 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.127 -7.002 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.323 -9.533 -5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.385 -8.418 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.007 -10.154 -6.181 1.00 0.00 H new ATOM 938 N PRO A 59 4.346 -9.162 -7.261 1.00 0.00 N ATOM 939 CA PRO A 59 5.761 -8.905 -7.679 1.00 0.00 C ATOM 940 C PRO A 59 6.457 -7.826 -6.831 1.00 0.00 C ATOM 941 O PRO A 59 5.825 -7.051 -6.144 1.00 0.00 O ATOM 942 CB PRO A 59 5.629 -8.456 -9.144 1.00 0.00 C ATOM 943 CG PRO A 59 4.260 -7.868 -9.239 1.00 0.00 C ATOM 944 CD PRO A 59 3.391 -8.672 -8.275 1.00 0.00 C ATOM 0 HA PRO A 59 6.384 -9.790 -7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.393 -7.724 -9.404 1.00 0.00 H new ATOM 0 HB3 PRO A 59 5.747 -9.297 -9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.269 -6.812 -8.969 1.00 0.00 H new ATOM 0 HG3 PRO A 59 3.877 -7.933 -10.257 1.00 0.00 H new ATOM 0 HD2 PRO A 59 2.614 -8.053 -7.826 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.889 -9.496 -8.782 1.00 0.00 H new ATOM 952 N LEU A 60 7.765 -7.792 -6.876 1.00 0.00 N ATOM 953 CA LEU A 60 8.530 -6.792 -6.074 1.00 0.00 C ATOM 954 C LEU A 60 8.305 -5.384 -6.624 1.00 0.00 C ATOM 955 O LEU A 60 8.182 -5.175 -7.814 1.00 0.00 O ATOM 956 CB LEU A 60 10.018 -7.137 -6.140 1.00 0.00 C ATOM 957 CG LEU A 60 10.225 -8.591 -5.701 1.00 0.00 C ATOM 958 CD1 LEU A 60 11.713 -8.940 -5.780 1.00 0.00 C ATOM 959 CD2 LEU A 60 9.720 -8.785 -4.260 1.00 0.00 C ATOM 0 H LEU A 60 8.339 -8.420 -7.439 1.00 0.00 H new ATOM 0 HA LEU A 60 8.185 -6.820 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.390 -6.996 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.587 -6.467 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 60 9.662 -9.249 -6.363 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.861 -9.974 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.062 -8.817 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.277 -8.278 -5.123 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.872 -9.821 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.272 -8.127 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.658 -8.544 -4.211 1.00 0.00 H new ATOM 971 N LEU A 61 8.239 -4.416 -5.746 1.00 0.00 N ATOM 972 CA LEU A 61 8.004 -3.005 -6.172 1.00 0.00 C ATOM 973 C LEU A 61 9.343 -2.286 -6.370 1.00 0.00 C ATOM 974 O LEU A 61 10.284 -2.489 -5.629 1.00 0.00 O ATOM 975 CB LEU A 61 7.188 -2.295 -5.087 1.00 0.00 C ATOM 976 CG LEU A 61 5.713 -2.687 -5.223 1.00 0.00 C ATOM 977 CD1 LEU A 61 5.571 -4.209 -5.109 1.00 0.00 C ATOM 978 CD2 LEU A 61 4.905 -2.014 -4.111 1.00 0.00 C ATOM 0 H LEU A 61 8.339 -4.546 -4.739 1.00 0.00 H new ATOM 0 HA LEU A 61 7.460 -2.991 -7.116 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.559 -2.569 -4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.299 -1.215 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 61 5.340 -2.362 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.521 -4.485 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.147 -4.688 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.944 -4.538 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.855 -2.291 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.280 -2.339 -3.141 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.003 -0.932 -4.194 1.00 0.00 H new ATOM 990 N GLU A 62 9.432 -1.450 -7.372 1.00 0.00 N ATOM 991 CA GLU A 62 10.706 -0.718 -7.634 1.00 0.00 C ATOM 992 C GLU A 62 10.775 0.550 -6.783 1.00 0.00 C ATOM 993 O GLU A 62 9.770 1.126 -6.416 1.00 0.00 O ATOM 994 CB GLU A 62 10.777 -0.346 -9.112 1.00 0.00 C ATOM 995 CG GLU A 62 10.961 -1.618 -9.939 1.00 0.00 C ATOM 996 CD GLU A 62 10.975 -1.264 -11.427 1.00 0.00 C ATOM 997 OE1 GLU A 62 10.846 -0.091 -11.737 1.00 0.00 O ATOM 998 OE2 GLU A 62 11.114 -2.171 -12.229 1.00 0.00 O ATOM 0 H GLU A 62 8.674 -1.242 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 62 11.547 -1.361 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.866 0.170 -9.414 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.606 0.340 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 62 11.893 -2.112 -9.663 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.154 -2.320 -9.729 1.00 0.00 H new ATOM 1005 N GLN A 63 11.965 0.978 -6.461 1.00 0.00 N ATOM 1006 CA GLN A 63 12.132 2.197 -5.622 1.00 0.00 C ATOM 1007 C GLN A 63 12.023 3.464 -6.475 1.00 0.00 C ATOM 1008 O GLN A 63 12.562 3.545 -7.561 1.00 0.00 O ATOM 1009 CB GLN A 63 13.508 2.156 -4.956 1.00 0.00 C ATOM 1010 CG GLN A 63 13.612 3.295 -3.941 1.00 0.00 C ATOM 1011 CD GLN A 63 15.003 3.293 -3.306 1.00 0.00 C ATOM 1012 OE1 GLN A 63 15.996 3.171 -3.994 1.00 0.00 O ATOM 1013 NE2 GLN A 63 15.114 3.420 -2.014 1.00 0.00 N ATOM 0 H GLN A 63 12.836 0.531 -6.746 1.00 0.00 H new ATOM 0 HA GLN A 63 11.344 2.217 -4.869 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.656 1.197 -4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.292 2.251 -5.708 1.00 0.00 H new ATOM 0 HG2 GLN A 63 13.427 4.251 -4.432 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.850 3.179 -3.171 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.278 3.522 -1.438 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.036 3.417 -1.579 1.00 0.00 H new ATOM 1022 N GLY A 64 11.347 4.462 -5.970 1.00 0.00 N ATOM 1023 CA GLY A 64 11.211 5.742 -6.723 1.00 0.00 C ATOM 1024 C GLY A 64 10.126 5.611 -7.789 1.00 0.00 C ATOM 1025 O GLY A 64 10.128 6.328 -8.769 1.00 0.00 O ATOM 0 H GLY A 64 10.881 4.445 -5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.962 6.552 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.161 6.001 -7.190 1.00 0.00 H new ATOM 1029 N GLU A 65 9.199 4.698 -7.610 1.00 0.00 N ATOM 1030 CA GLU A 65 8.106 4.510 -8.617 1.00 0.00 C ATOM 1031 C GLU A 65 6.737 4.576 -7.934 1.00 0.00 C ATOM 1032 O GLU A 65 6.569 4.168 -6.796 1.00 0.00 O ATOM 1033 CB GLU A 65 8.274 3.150 -9.300 1.00 0.00 C ATOM 1034 CG GLU A 65 9.544 3.157 -10.158 1.00 0.00 C ATOM 1035 CD GLU A 65 9.385 4.154 -11.310 1.00 0.00 C ATOM 1036 OE1 GLU A 65 8.254 4.476 -11.636 1.00 0.00 O ATOM 1037 OE2 GLU A 65 10.396 4.578 -11.844 1.00 0.00 O ATOM 0 H GLU A 65 9.153 4.073 -6.806 1.00 0.00 H new ATOM 0 HA GLU A 65 8.166 5.305 -9.360 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.334 2.361 -8.551 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.405 2.934 -9.921 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.405 3.427 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.733 2.159 -10.552 1.00 0.00 H new ATOM 1044 N SER A 66 5.761 5.092 -8.636 1.00 0.00 N ATOM 1045 CA SER A 66 4.389 5.199 -8.071 1.00 0.00 C ATOM 1046 C SER A 66 3.659 3.869 -8.243 1.00 0.00 C ATOM 1047 O SER A 66 3.857 3.164 -9.214 1.00 0.00 O ATOM 1048 CB SER A 66 3.624 6.298 -8.810 1.00 0.00 C ATOM 1049 OG SER A 66 3.789 6.121 -10.210 1.00 0.00 O ATOM 0 H SER A 66 5.861 5.447 -9.587 1.00 0.00 H new ATOM 0 HA SER A 66 4.450 5.443 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.566 6.260 -8.549 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.992 7.279 -8.509 1.00 0.00 H new ATOM 0 HG SER A 66 3.580 6.959 -10.673 1.00 0.00 H new ATOM 1055 N TYR A 67 2.809 3.524 -7.312 1.00 0.00 N ATOM 1056 CA TYR A 67 2.054 2.239 -7.415 1.00 0.00 C ATOM 1057 C TYR A 67 0.619 2.439 -6.947 1.00 0.00 C ATOM 1058 O TYR A 67 0.349 3.191 -6.028 1.00 0.00 O ATOM 1059 CB TYR A 67 2.724 1.181 -6.540 1.00 0.00 C ATOM 1060 CG TYR A 67 4.026 0.767 -7.176 1.00 0.00 C ATOM 1061 CD1 TYR A 67 4.010 -0.034 -8.323 1.00 0.00 C ATOM 1062 CD2 TYR A 67 5.245 1.184 -6.629 1.00 0.00 C ATOM 1063 CE1 TYR A 67 5.212 -0.421 -8.923 1.00 0.00 C ATOM 1064 CE2 TYR A 67 6.448 0.796 -7.229 1.00 0.00 C ATOM 1065 CZ TYR A 67 6.431 -0.007 -8.376 1.00 0.00 C ATOM 1066 OH TYR A 67 7.615 -0.391 -8.969 1.00 0.00 O ATOM 0 H TYR A 67 2.604 4.079 -6.481 1.00 0.00 H new ATOM 0 HA TYR A 67 2.052 1.912 -8.455 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.903 1.578 -5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.069 0.317 -6.427 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.069 -0.354 -8.745 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.257 1.804 -5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.199 -1.039 -9.808 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.390 1.116 -6.808 1.00 0.00 H new ATOM 0 HH TYR A 67 7.476 -0.506 -9.932 1.00 0.00 H new ATOM 1076 N LEU A 68 -0.302 1.750 -7.569 1.00 0.00 N ATOM 1077 CA LEU A 68 -1.736 1.856 -7.177 1.00 0.00 C ATOM 1078 C LEU A 68 -2.121 0.588 -6.422 1.00 0.00 C ATOM 1079 O LEU A 68 -1.987 -0.512 -6.928 1.00 0.00 O ATOM 1080 CB LEU A 68 -2.593 2.004 -8.445 1.00 0.00 C ATOM 1081 CG LEU A 68 -4.078 1.791 -8.123 1.00 0.00 C ATOM 1082 CD1 LEU A 68 -4.508 2.741 -7.005 1.00 0.00 C ATOM 1083 CD2 LEU A 68 -4.912 2.069 -9.376 1.00 0.00 C ATOM 0 H LEU A 68 -0.117 1.110 -8.342 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.900 2.724 -6.539 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.447 2.995 -8.875 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.271 1.281 -9.194 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.233 0.762 -7.798 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.563 2.585 -6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.914 2.544 -6.112 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.353 3.772 -7.324 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.968 1.919 -9.151 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.753 3.098 -9.698 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.610 1.389 -10.172 1.00 0.00 H new ATOM 1095 N LEU A 69 -2.601 0.737 -5.217 1.00 0.00 N ATOM 1096 CA LEU A 69 -3.007 -0.444 -4.403 1.00 0.00 C ATOM 1097 C LEU A 69 -4.528 -0.549 -4.398 1.00 0.00 C ATOM 1098 O LEU A 69 -5.222 0.387 -4.055 1.00 0.00 O ATOM 1099 CB LEU A 69 -2.500 -0.251 -2.975 1.00 0.00 C ATOM 1100 CG LEU A 69 -0.989 0.006 -3.001 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -0.483 0.215 -1.570 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -0.264 -1.192 -3.636 1.00 0.00 C ATOM 0 H LEU A 69 -2.730 1.638 -4.757 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.585 -1.356 -4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.014 0.587 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.719 -1.135 -2.377 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.786 0.898 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.591 0.398 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.990 1.072 -1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.690 -0.676 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.809 -1.002 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.465 -2.090 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.621 -1.335 -4.656 1.00 0.00 H new ATOM 1114 N ARG A 70 -5.050 -1.688 -4.786 1.00 0.00 N ATOM 1115 CA ARG A 70 -6.534 -1.884 -4.820 1.00 0.00 C ATOM 1116 C ARG A 70 -6.947 -2.944 -3.796 1.00 0.00 C ATOM 1117 O ARG A 70 -6.339 -3.994 -3.691 1.00 0.00 O ATOM 1118 CB ARG A 70 -6.947 -2.335 -6.224 1.00 0.00 C ATOM 1119 CG ARG A 70 -6.790 -1.161 -7.193 1.00 0.00 C ATOM 1120 CD ARG A 70 -7.072 -1.624 -8.625 1.00 0.00 C ATOM 1121 NE ARG A 70 -8.483 -2.094 -8.726 1.00 0.00 N ATOM 1122 CZ ARG A 70 -8.926 -2.631 -9.833 1.00 0.00 C ATOM 1123 NH1 ARG A 70 -8.135 -2.758 -10.865 1.00 0.00 N ATOM 1124 NH2 ARG A 70 -10.163 -3.038 -9.907 1.00 0.00 N ATOM 0 H ARG A 70 -4.506 -2.498 -5.083 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.029 -0.945 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.330 -3.174 -6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.980 -2.683 -6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.475 -0.359 -6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.781 -0.755 -7.125 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.899 -0.806 -9.324 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.389 -2.428 -8.900 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.108 -1.996 -7.926 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.168 -2.438 -10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.484 -3.177 -11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -10.782 -2.937 -9.103 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -10.511 -3.457 -10.769 1.00 0.00 H new ATOM 1138 N SER A 71 -7.987 -2.656 -3.054 1.00 0.00 N ATOM 1139 CA SER A 71 -8.503 -3.602 -2.021 1.00 0.00 C ATOM 1140 C SER A 71 -7.434 -3.888 -0.964 1.00 0.00 C ATOM 1141 O SER A 71 -6.869 -4.962 -0.924 1.00 0.00 O ATOM 1142 CB SER A 71 -8.940 -4.914 -2.682 1.00 0.00 C ATOM 1143 OG SER A 71 -9.527 -5.757 -1.698 1.00 0.00 O ATOM 0 H SER A 71 -8.511 -1.784 -3.124 1.00 0.00 H new ATOM 0 HA SER A 71 -9.361 -3.140 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.655 -4.713 -3.480 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.083 -5.409 -3.139 1.00 0.00 H new ATOM 0 HG SER A 71 -9.810 -6.598 -2.114 1.00 0.00 H new ATOM 1149 N VAL A 72 -7.171 -2.937 -0.092 1.00 0.00 N ATOM 1150 CA VAL A 72 -6.151 -3.151 0.989 1.00 0.00 C ATOM 1151 C VAL A 72 -6.794 -2.889 2.348 1.00 0.00 C ATOM 1152 O VAL A 72 -7.808 -2.222 2.453 1.00 0.00 O ATOM 1153 CB VAL A 72 -4.970 -2.192 0.798 1.00 0.00 C ATOM 1154 CG1 VAL A 72 -4.077 -2.699 -0.333 1.00 0.00 C ATOM 1155 CG2 VAL A 72 -5.481 -0.791 0.454 1.00 0.00 C ATOM 0 H VAL A 72 -7.620 -2.021 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.790 -4.178 0.939 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.397 -2.146 1.724 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.238 -2.017 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.701 -3.691 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.654 -2.752 -1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.634 -0.118 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.061 -0.832 -0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.112 -0.425 1.264 1.00 0.00 H new ATOM 1165 N VAL A 73 -6.197 -3.420 3.389 1.00 0.00 N ATOM 1166 CA VAL A 73 -6.737 -3.235 4.769 1.00 0.00 C ATOM 1167 C VAL A 73 -5.672 -2.574 5.643 1.00 0.00 C ATOM 1168 O VAL A 73 -4.512 -2.931 5.605 1.00 0.00 O ATOM 1169 CB VAL A 73 -7.115 -4.601 5.349 1.00 0.00 C ATOM 1170 CG1 VAL A 73 -5.871 -5.486 5.473 1.00 0.00 C ATOM 1171 CG2 VAL A 73 -7.742 -4.405 6.729 1.00 0.00 C ATOM 0 H VAL A 73 -5.347 -3.981 3.337 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.622 -2.599 4.740 1.00 0.00 H new ATOM 0 HB VAL A 73 -7.828 -5.087 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.153 -6.454 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.426 -5.628 4.488 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.148 -5.007 6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.013 -5.375 7.147 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.026 -3.914 7.388 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -8.635 -3.787 6.638 1.00 0.00 H new ATOM 1181 N VAL A 74 -6.059 -1.593 6.414 1.00 0.00 N ATOM 1182 CA VAL A 74 -5.069 -0.885 7.278 1.00 0.00 C ATOM 1183 C VAL A 74 -4.877 -1.640 8.593 1.00 0.00 C ATOM 1184 O VAL A 74 -5.797 -1.812 9.367 1.00 0.00 O ATOM 1185 CB VAL A 74 -5.578 0.527 7.561 1.00 0.00 C ATOM 1186 CG1 VAL A 74 -4.466 1.354 8.205 1.00 0.00 C ATOM 1187 CG2 VAL A 74 -5.995 1.180 6.240 1.00 0.00 C ATOM 0 H VAL A 74 -7.018 -1.251 6.483 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.109 -0.837 6.764 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.431 0.480 8.238 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.831 2.361 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.159 0.886 9.140 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.613 1.406 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.360 2.189 6.432 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.136 1.226 5.570 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.786 0.590 5.776 1.00 0.00 H new ATOM 1197 N GLY A 75 -3.673 -2.087 8.849 1.00 0.00 N ATOM 1198 CA GLY A 75 -3.387 -2.830 10.110 1.00 0.00 C ATOM 1199 C GLY A 75 -2.798 -1.872 11.145 1.00 0.00 C ATOM 1200 O GLY A 75 -2.477 -0.739 10.839 1.00 0.00 O ATOM 0 H GLY A 75 -2.870 -1.967 8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.302 -3.280 10.495 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.689 -3.644 9.914 1.00 0.00 H new ATOM 1204 N GLU A 76 -2.651 -2.324 12.367 1.00 0.00 N ATOM 1205 CA GLU A 76 -2.081 -1.453 13.444 1.00 0.00 C ATOM 1206 C GLU A 76 -0.702 -1.972 13.854 1.00 0.00 C ATOM 1207 O GLU A 76 -0.554 -3.098 14.286 1.00 0.00 O ATOM 1208 CB GLU A 76 -3.015 -1.472 14.656 1.00 0.00 C ATOM 1209 CG GLU A 76 -2.446 -0.562 15.747 1.00 0.00 C ATOM 1210 CD GLU A 76 -3.430 -0.479 16.913 1.00 0.00 C ATOM 1211 OE1 GLU A 76 -4.356 -1.275 16.940 1.00 0.00 O ATOM 1212 OE2 GLU A 76 -3.242 0.376 17.760 1.00 0.00 O ATOM 0 H GLU A 76 -2.903 -3.266 12.667 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.983 -0.433 13.071 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.011 -1.135 14.368 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.120 -2.489 15.033 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.488 -0.949 16.094 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.260 0.433 15.344 1.00 0.00 H new ATOM 1219 N TYR A 77 0.305 -1.145 13.725 1.00 0.00 N ATOM 1220 CA TYR A 77 1.692 -1.553 14.107 1.00 0.00 C ATOM 1221 C TYR A 77 2.347 -0.434 14.932 1.00 0.00 C ATOM 1222 O TYR A 77 2.426 0.701 14.508 1.00 0.00 O ATOM 1223 CB TYR A 77 2.505 -1.821 12.834 1.00 0.00 C ATOM 1224 CG TYR A 77 3.971 -1.933 13.179 1.00 0.00 C ATOM 1225 CD1 TYR A 77 4.485 -3.137 13.675 1.00 0.00 C ATOM 1226 CD2 TYR A 77 4.813 -0.828 13.007 1.00 0.00 C ATOM 1227 CE1 TYR A 77 5.843 -3.235 13.999 1.00 0.00 C ATOM 1228 CE2 TYR A 77 6.170 -0.926 13.332 1.00 0.00 C ATOM 1229 CZ TYR A 77 6.685 -2.130 13.828 1.00 0.00 C ATOM 1230 OH TYR A 77 8.023 -2.228 14.149 1.00 0.00 O ATOM 0 H TYR A 77 0.224 -0.193 13.367 1.00 0.00 H new ATOM 0 HA TYR A 77 1.661 -2.461 14.710 1.00 0.00 H new ATOM 0 HB2 TYR A 77 2.162 -2.740 12.359 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.351 -1.015 12.116 1.00 0.00 H new ATOM 0 HD1 TYR A 77 3.835 -3.989 13.807 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.415 0.100 12.624 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.241 -4.163 14.381 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.820 -0.074 13.200 1.00 0.00 H new ATOM 0 HH TYR A 77 8.223 -1.633 14.902 1.00 0.00 H new ATOM 1240 N ASN A 78 2.819 -0.762 16.106 1.00 0.00 N ATOM 1241 CA ASN A 78 3.479 0.250 16.985 1.00 0.00 C ATOM 1242 C ASN A 78 2.586 1.484 17.150 1.00 0.00 C ATOM 1243 O ASN A 78 3.021 2.600 16.952 1.00 0.00 O ATOM 1244 CB ASN A 78 4.831 0.663 16.395 1.00 0.00 C ATOM 1245 CG ASN A 78 5.795 -0.525 16.445 1.00 0.00 C ATOM 1246 OD1 ASN A 78 6.869 -0.475 15.876 1.00 0.00 O ATOM 1247 ND2 ASN A 78 5.459 -1.600 17.106 1.00 0.00 N ATOM 0 H ASN A 78 2.775 -1.702 16.499 1.00 0.00 H new ATOM 0 HA ASN A 78 3.640 -0.200 17.965 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.703 0.998 15.366 1.00 0.00 H new ATOM 0 HB3 ASN A 78 5.243 1.503 16.955 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.097 -2.395 17.144 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.559 -1.644 17.584 1.00 0.00 H new ATOM 1254 N ASP A 79 1.348 1.284 17.518 1.00 0.00 N ATOM 1255 CA ASP A 79 0.414 2.434 17.716 1.00 0.00 C ATOM 1256 C ASP A 79 0.350 3.286 16.448 1.00 0.00 C ATOM 1257 O ASP A 79 -0.320 4.300 16.411 1.00 0.00 O ATOM 1258 CB ASP A 79 0.897 3.297 18.890 1.00 0.00 C ATOM 1259 CG ASP A 79 0.668 2.548 20.205 1.00 0.00 C ATOM 1260 OD1 ASP A 79 -0.084 1.589 20.194 1.00 0.00 O ATOM 1261 OD2 ASP A 79 1.251 2.949 21.199 1.00 0.00 O ATOM 0 H ASP A 79 0.940 0.366 17.692 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.581 2.046 17.934 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.955 3.530 18.772 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.361 4.246 18.902 1.00 0.00 H new ATOM 1266 N ARG A 80 1.037 2.885 15.409 1.00 0.00 N ATOM 1267 CA ARG A 80 1.023 3.670 14.135 1.00 0.00 C ATOM 1268 C ARG A 80 0.132 2.973 13.111 1.00 0.00 C ATOM 1269 O ARG A 80 -0.207 1.813 13.248 1.00 0.00 O ATOM 1270 CB ARG A 80 2.453 3.774 13.593 1.00 0.00 C ATOM 1271 CG ARG A 80 3.309 4.644 14.534 1.00 0.00 C ATOM 1272 CD ARG A 80 3.161 6.126 14.166 1.00 0.00 C ATOM 1273 NE ARG A 80 3.801 6.362 12.843 1.00 0.00 N ATOM 1274 CZ ARG A 80 3.714 7.531 12.267 1.00 0.00 C ATOM 1275 NH1 ARG A 80 3.050 8.497 12.841 1.00 0.00 N ATOM 1276 NH2 ARG A 80 4.288 7.728 11.113 1.00 0.00 N ATOM 0 H ARG A 80 1.611 2.042 15.387 1.00 0.00 H new ATOM 0 HA ARG A 80 0.631 4.669 14.325 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.891 2.780 13.504 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.441 4.207 12.593 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.001 4.486 15.568 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.355 4.347 14.464 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.107 6.401 14.129 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.627 6.752 14.927 1.00 0.00 H new ATOM 0 HE ARG A 80 4.310 5.607 12.384 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.598 8.340 13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.984 9.409 12.389 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.803 6.971 10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.222 8.639 10.660 1.00 0.00 H new ATOM 1290 N PHE A 81 -0.260 3.680 12.088 1.00 0.00 N ATOM 1291 CA PHE A 81 -1.145 3.084 11.048 1.00 0.00 C ATOM 1292 C PHE A 81 -0.301 2.576 9.882 1.00 0.00 C ATOM 1293 O PHE A 81 0.691 3.171 9.513 1.00 0.00 O ATOM 1294 CB PHE A 81 -2.110 4.161 10.547 1.00 0.00 C ATOM 1295 CG PHE A 81 -3.167 4.408 11.595 1.00 0.00 C ATOM 1296 CD1 PHE A 81 -4.341 3.647 11.591 1.00 0.00 C ATOM 1297 CD2 PHE A 81 -2.972 5.392 12.571 1.00 0.00 C ATOM 1298 CE1 PHE A 81 -5.321 3.868 12.564 1.00 0.00 C ATOM 1299 CE2 PHE A 81 -3.953 5.613 13.545 1.00 0.00 C ATOM 1300 CZ PHE A 81 -5.128 4.852 13.541 1.00 0.00 C ATOM 0 H PHE A 81 -0.003 4.654 11.926 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.703 2.250 11.473 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -1.567 5.083 10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -2.574 3.844 9.613 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.490 2.889 10.837 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.066 5.980 12.573 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.227 3.280 12.562 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.803 6.371 14.300 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.885 5.024 14.291 1.00 0.00 H new ATOM 1310 N GLN A 82 -0.694 1.475 9.298 1.00 0.00 N ATOM 1311 CA GLN A 82 0.076 0.915 8.150 1.00 0.00 C ATOM 1312 C GLN A 82 -0.886 0.246 7.171 1.00 0.00 C ATOM 1313 O GLN A 82 -1.994 -0.108 7.525 1.00 0.00 O ATOM 1314 CB GLN A 82 1.079 -0.122 8.663 1.00 0.00 C ATOM 1315 CG GLN A 82 0.351 -1.185 9.491 1.00 0.00 C ATOM 1316 CD GLN A 82 1.342 -2.274 9.906 1.00 0.00 C ATOM 1317 OE1 GLN A 82 0.956 -3.283 10.459 1.00 0.00 O ATOM 1318 NE2 GLN A 82 2.614 -2.111 9.657 1.00 0.00 N ATOM 0 H GLN A 82 -1.518 0.938 9.568 1.00 0.00 H new ATOM 0 HA GLN A 82 0.610 1.720 7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.592 -0.591 7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.841 0.366 9.270 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.097 -0.730 10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.462 -1.620 8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.938 -1.263 9.192 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.283 -2.832 9.927 1.00 0.00 H new ATOM 1327 N VAL A 83 -0.464 0.061 5.944 1.00 0.00 N ATOM 1328 CA VAL A 83 -1.340 -0.599 4.926 1.00 0.00 C ATOM 1329 C VAL A 83 -0.753 -1.965 4.579 1.00 0.00 C ATOM 1330 O VAL A 83 0.414 -2.088 4.264 1.00 0.00 O ATOM 1331 CB VAL A 83 -1.411 0.285 3.677 1.00 0.00 C ATOM 1332 CG1 VAL A 83 -1.996 1.646 4.061 1.00 0.00 C ATOM 1333 CG2 VAL A 83 -0.009 0.479 3.091 1.00 0.00 C ATOM 0 H VAL A 83 0.455 0.341 5.602 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.347 -0.734 5.321 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.044 -0.194 2.930 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.050 2.281 3.177 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.997 1.509 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.359 2.118 4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.070 1.109 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.632 0.957 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.409 -0.490 2.820 1.00 0.00 H new ATOM 1343 N GLN A 84 -1.558 -2.999 4.650 1.00 0.00 N ATOM 1344 CA GLN A 84 -1.068 -4.381 4.342 1.00 0.00 C ATOM 1345 C GLN A 84 -1.673 -4.853 3.024 1.00 0.00 C ATOM 1346 O GLN A 84 -2.876 -4.863 2.847 1.00 0.00 O ATOM 1347 CB GLN A 84 -1.487 -5.327 5.470 1.00 0.00 C ATOM 1348 CG GLN A 84 -0.669 -5.005 6.724 1.00 0.00 C ATOM 1349 CD GLN A 84 -1.078 -5.939 7.864 1.00 0.00 C ATOM 1350 OE1 GLN A 84 -1.182 -7.134 7.679 1.00 0.00 O ATOM 1351 NE2 GLN A 84 -1.314 -5.438 9.046 1.00 0.00 N ATOM 0 H GLN A 84 -2.543 -2.944 4.911 1.00 0.00 H new ATOM 0 HA GLN A 84 0.019 -4.375 4.257 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.552 -5.217 5.677 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -1.326 -6.363 5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.395 -5.117 6.514 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.829 -3.967 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.226 -4.434 9.201 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.586 -6.051 9.815 1.00 0.00 H new ATOM 1360 N VAL A 85 -0.845 -5.243 2.092 1.00 0.00 N ATOM 1361 CA VAL A 85 -1.359 -5.714 0.773 1.00 0.00 C ATOM 1362 C VAL A 85 -1.431 -7.240 0.766 1.00 0.00 C ATOM 1363 O VAL A 85 -0.427 -7.920 0.695 1.00 0.00 O ATOM 1364 CB VAL A 85 -0.410 -5.229 -0.324 1.00 0.00 C ATOM 1365 CG1 VAL A 85 -1.064 -5.427 -1.690 1.00 0.00 C ATOM 1366 CG2 VAL A 85 -0.111 -3.740 -0.114 1.00 0.00 C ATOM 0 H VAL A 85 0.170 -5.256 2.188 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.358 -5.316 0.596 1.00 0.00 H new ATOM 0 HB VAL A 85 0.518 -5.799 -0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.387 -5.081 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.281 -6.485 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.992 -4.857 -1.735 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.565 -3.391 -0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.040 -3.172 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.355 -3.596 0.861 1.00 0.00 H new ATOM 1376 N ASN A 86 -2.621 -7.783 0.838 1.00 0.00 N ATOM 1377 CA ASN A 86 -2.774 -9.268 0.835 1.00 0.00 C ATOM 1378 C ASN A 86 -4.133 -9.653 0.243 1.00 0.00 C ATOM 1379 O ASN A 86 -4.905 -8.814 -0.179 1.00 0.00 O ATOM 1380 CB ASN A 86 -2.681 -9.803 2.268 1.00 0.00 C ATOM 1381 CG ASN A 86 -3.859 -9.284 3.096 1.00 0.00 C ATOM 1382 OD1 ASN A 86 -4.685 -10.053 3.544 1.00 0.00 O ATOM 1383 ND2 ASN A 86 -3.972 -8.004 3.324 1.00 0.00 N ATOM 0 H ASN A 86 -3.494 -7.259 0.899 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.978 -9.701 0.230 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.684 -10.893 2.259 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -1.741 -9.490 2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -4.753 -7.652 3.877 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -3.279 -7.356 2.949 1.00 0.00 H new ATOM 1390 N LYS A 87 -4.420 -10.926 0.228 1.00 0.00 N ATOM 1391 CA LYS A 87 -5.721 -11.421 -0.310 1.00 0.00 C ATOM 1392 C LYS A 87 -5.817 -11.178 -1.822 1.00 0.00 C ATOM 1393 O LYS A 87 -4.909 -11.476 -2.570 1.00 0.00 O ATOM 1394 CB LYS A 87 -6.890 -10.716 0.404 1.00 0.00 C ATOM 1395 CG LYS A 87 -8.147 -11.593 0.323 1.00 0.00 C ATOM 1396 CD LYS A 87 -9.287 -10.942 1.104 1.00 0.00 C ATOM 1397 CE LYS A 87 -10.531 -11.827 1.007 1.00 0.00 C ATOM 1398 NZ LYS A 87 -11.644 -11.202 1.771 1.00 0.00 N ATOM 0 H LYS A 87 -3.797 -11.657 0.572 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.778 -12.494 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.632 -10.528 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.080 -9.747 -0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.439 -11.729 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.937 -12.583 0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.000 -10.810 2.147 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.499 -9.951 0.703 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.819 -11.955 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.316 -12.820 1.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.490 -11.803 1.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.367 -11.101 2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.854 -10.264 1.374 1.00 0.00 H new ATOM 1412 N ASN A 88 -6.927 -10.655 -2.272 1.00 0.00 N ATOM 1413 CA ASN A 88 -7.116 -10.403 -3.727 1.00 0.00 C ATOM 1414 C ASN A 88 -6.587 -9.011 -4.070 1.00 0.00 C ATOM 1415 O ASN A 88 -6.948 -8.425 -5.070 1.00 0.00 O ATOM 1416 CB ASN A 88 -8.612 -10.490 -4.055 1.00 0.00 C ATOM 1417 CG ASN A 88 -9.110 -11.922 -3.818 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -10.267 -12.130 -3.511 1.00 0.00 O ATOM 1419 ND2 ASN A 88 -8.282 -12.923 -3.948 1.00 0.00 N ATOM 0 H ASN A 88 -7.718 -10.390 -1.685 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.572 -11.145 -4.311 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.172 -9.792 -3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.784 -10.201 -5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.607 -13.877 -3.792 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.310 -12.751 -4.206 1.00 0.00 H new ATOM 1426 N SER A 89 -5.734 -8.478 -3.239 1.00 0.00 N ATOM 1427 CA SER A 89 -5.180 -7.122 -3.504 1.00 0.00 C ATOM 1428 C SER A 89 -4.435 -7.127 -4.837 1.00 0.00 C ATOM 1429 O SER A 89 -3.855 -8.119 -5.230 1.00 0.00 O ATOM 1430 CB SER A 89 -4.213 -6.740 -2.383 1.00 0.00 C ATOM 1431 OG SER A 89 -4.958 -6.356 -1.236 1.00 0.00 O ATOM 0 H SER A 89 -5.397 -8.925 -2.386 1.00 0.00 H new ATOM 0 HA SER A 89 -5.994 -6.399 -3.546 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.563 -7.582 -2.144 1.00 0.00 H new ATOM 0 HB3 SER A 89 -3.569 -5.921 -2.705 1.00 0.00 H new ATOM 0 HG SER A 89 -5.799 -5.939 -1.517 1.00 0.00 H new ATOM 1437 N SER A 90 -4.451 -6.018 -5.536 1.00 0.00 N ATOM 1438 CA SER A 90 -3.750 -5.935 -6.857 1.00 0.00 C ATOM 1439 C SER A 90 -2.839 -4.712 -6.881 1.00 0.00 C ATOM 1440 O SER A 90 -3.085 -3.728 -6.211 1.00 0.00 O ATOM 1441 CB SER A 90 -4.792 -5.810 -7.970 1.00 0.00 C ATOM 1442 OG SER A 90 -5.418 -7.071 -8.166 1.00 0.00 O ATOM 0 H SER A 90 -4.922 -5.161 -5.247 1.00 0.00 H new ATOM 0 HA SER A 90 -3.151 -6.833 -7.007 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.536 -5.058 -7.706 1.00 0.00 H new ATOM 0 HB3 SER A 90 -4.318 -5.478 -8.894 1.00 0.00 H new ATOM 0 HG SER A 90 -6.088 -6.997 -8.877 1.00 0.00 H new ATOM 1448 N ILE A 91 -1.785 -4.770 -7.656 1.00 0.00 N ATOM 1449 CA ILE A 91 -0.835 -3.620 -7.751 1.00 0.00 C ATOM 1450 C ILE A 91 -0.609 -3.279 -9.217 1.00 0.00 C ATOM 1451 O ILE A 91 -0.375 -4.147 -10.034 1.00 0.00 O ATOM 1452 CB ILE A 91 0.500 -4.002 -7.115 1.00 0.00 C ATOM 1453 CG1 ILE A 91 0.281 -4.299 -5.629 1.00 0.00 C ATOM 1454 CG2 ILE A 91 1.487 -2.840 -7.270 1.00 0.00 C ATOM 1455 CD1 ILE A 91 1.575 -4.831 -5.012 1.00 0.00 C ATOM 0 H ILE A 91 -1.540 -5.574 -8.233 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.253 -2.760 -7.228 1.00 0.00 H new ATOM 0 HB ILE A 91 0.905 -4.886 -7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.035 -3.394 -5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.518 -5.031 -5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.441 -3.110 -6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.635 -2.627 -8.329 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.088 -1.955 -6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.414 -5.041 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.872 -5.747 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.362 -4.085 -5.118 1.00 0.00 H new ATOM 1467 N GLU A 92 -0.672 -2.015 -9.555 1.00 0.00 N ATOM 1468 CA GLU A 92 -0.452 -1.591 -10.974 1.00 0.00 C ATOM 1469 C GLU A 92 0.637 -0.518 -11.010 1.00 0.00 C ATOM 1470 O GLU A 92 0.643 0.405 -10.219 1.00 0.00 O ATOM 1471 CB GLU A 92 -1.760 -1.036 -11.542 1.00 0.00 C ATOM 1472 CG GLU A 92 -1.543 -0.587 -12.987 1.00 0.00 C ATOM 1473 CD GLU A 92 -2.871 -0.117 -13.580 1.00 0.00 C ATOM 1474 OE1 GLU A 92 -3.897 -0.401 -12.985 1.00 0.00 O ATOM 1475 OE2 GLU A 92 -2.841 0.518 -14.622 1.00 0.00 O ATOM 0 H GLU A 92 -0.868 -1.253 -8.905 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.136 -2.443 -11.577 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.538 -1.798 -11.501 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.103 -0.196 -10.938 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.811 0.220 -13.022 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.140 -1.409 -13.578 1.00 0.00 H new ATOM 1482 N LYS A 93 1.568 -0.643 -11.917 1.00 0.00 N ATOM 1483 CA LYS A 93 2.671 0.356 -12.004 1.00 0.00 C ATOM 1484 C LYS A 93 2.184 1.602 -12.735 1.00 0.00 C ATOM 1485 O LYS A 93 1.627 1.526 -13.811 1.00 0.00 O ATOM 1486 CB LYS A 93 3.847 -0.255 -12.767 1.00 0.00 C ATOM 1487 CG LYS A 93 5.001 0.747 -12.818 1.00 0.00 C ATOM 1488 CD LYS A 93 6.204 0.106 -13.509 1.00 0.00 C ATOM 1489 CE LYS A 93 7.360 1.105 -13.548 1.00 0.00 C ATOM 1490 NZ LYS A 93 7.763 1.452 -12.155 1.00 0.00 N ATOM 0 H LYS A 93 1.612 -1.396 -12.603 1.00 0.00 H new ATOM 0 HA LYS A 93 2.988 0.632 -10.998 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.172 -1.174 -12.280 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.539 -0.522 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.694 1.644 -13.357 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.271 1.058 -11.809 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.506 -0.795 -12.976 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.937 -0.197 -14.521 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.206 0.678 -14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.060 2.004 -14.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.507 2.440 -11.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.273 0.825 -11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.791 1.333 -12.051 1.00 0.00 H new ATOM 1504 N LEU A 94 2.396 2.754 -12.154 1.00 0.00 N ATOM 1505 CA LEU A 94 1.950 4.023 -12.802 1.00 0.00 C ATOM 1506 C LEU A 94 3.137 4.702 -13.481 1.00 0.00 C ATOM 1507 O LEU A 94 4.205 4.839 -12.916 1.00 0.00 O ATOM 1508 CB LEU A 94 1.347 4.944 -11.731 1.00 0.00 C ATOM 1509 CG LEU A 94 -0.130 4.572 -11.492 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -0.995 4.955 -12.716 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -0.238 3.062 -11.229 1.00 0.00 C ATOM 0 H LEU A 94 2.861 2.871 -11.254 1.00 0.00 H new ATOM 0 HA LEU A 94 1.196 3.809 -13.559 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.909 4.853 -10.802 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.423 5.984 -12.048 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.497 5.124 -10.626 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.034 4.684 -12.527 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.926 6.029 -12.889 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.636 4.422 -13.596 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.281 2.796 -11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.141 2.514 -12.092 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.350 2.803 -10.348 1.00 0.00 H new ATOM 1523 N SER A 95 2.942 5.127 -14.696 1.00 0.00 N ATOM 1524 CA SER A 95 4.031 5.800 -15.449 1.00 0.00 C ATOM 1525 C SER A 95 4.041 7.285 -15.097 1.00 0.00 C ATOM 1526 O SER A 95 4.716 8.072 -15.729 1.00 0.00 O ATOM 1527 CB SER A 95 3.778 5.632 -16.945 1.00 0.00 C ATOM 1528 OG SER A 95 4.895 6.124 -17.670 1.00 0.00 O ATOM 0 H SER A 95 2.063 5.035 -15.205 1.00 0.00 H new ATOM 0 HA SER A 95 4.993 5.358 -15.188 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.611 4.581 -17.181 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.876 6.171 -17.235 1.00 0.00 H new ATOM 0 HG SER A 95 5.223 6.946 -17.248 1.00 0.00 H new ATOM 1534 N GLU A 96 3.291 7.674 -14.091 1.00 0.00 N ATOM 1535 CA GLU A 96 3.243 9.113 -13.680 1.00 0.00 C ATOM 1536 C GLU A 96 3.753 9.246 -12.235 1.00 0.00 C ATOM 1537 O GLU A 96 2.987 9.172 -11.294 1.00 0.00 O ATOM 1538 CB GLU A 96 1.794 9.608 -13.749 1.00 0.00 C ATOM 1539 CG GLU A 96 1.778 11.138 -13.687 1.00 0.00 C ATOM 1540 CD GLU A 96 0.359 11.629 -13.396 1.00 0.00 C ATOM 1541 OE1 GLU A 96 -0.104 11.415 -12.288 1.00 0.00 O ATOM 1542 OE2 GLU A 96 -0.238 12.209 -14.286 1.00 0.00 O ATOM 0 H GLU A 96 2.707 7.051 -13.534 1.00 0.00 H new ATOM 0 HA GLU A 96 3.869 9.706 -14.347 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.324 9.265 -14.671 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.216 9.193 -12.923 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.460 11.487 -12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.130 11.553 -14.631 1.00 0.00 H new ATOM 1549 N PRO A 97 5.039 9.453 -12.061 1.00 0.00 N ATOM 1550 CA PRO A 97 5.659 9.611 -10.707 1.00 0.00 C ATOM 1551 C PRO A 97 5.009 10.741 -9.901 1.00 0.00 C ATOM 1552 O PRO A 97 4.571 11.733 -10.446 1.00 0.00 O ATOM 1553 CB PRO A 97 7.134 9.934 -11.011 1.00 0.00 C ATOM 1554 CG PRO A 97 7.374 9.407 -12.390 1.00 0.00 C ATOM 1555 CD PRO A 97 6.046 9.538 -13.131 1.00 0.00 C ATOM 0 HA PRO A 97 5.532 8.717 -10.096 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.321 11.007 -10.961 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.798 9.461 -10.287 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.158 9.973 -12.893 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.702 8.368 -12.358 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.979 10.484 -13.669 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.917 8.743 -13.866 1.00 0.00 H new ATOM 1563 N ILE A 98 4.939 10.587 -8.602 1.00 0.00 N ATOM 1564 CA ILE A 98 4.308 11.637 -7.745 1.00 0.00 C ATOM 1565 C ILE A 98 5.389 12.497 -7.091 1.00 0.00 C ATOM 1566 O ILE A 98 6.309 12.002 -6.473 1.00 0.00 O ATOM 1567 CB ILE A 98 3.468 10.957 -6.666 1.00 0.00 C ATOM 1568 CG1 ILE A 98 2.358 10.144 -7.338 1.00 0.00 C ATOM 1569 CG2 ILE A 98 2.849 12.019 -5.755 1.00 0.00 C ATOM 1570 CD1 ILE A 98 1.666 9.256 -6.304 1.00 0.00 C ATOM 0 H ILE A 98 5.294 9.775 -8.096 1.00 0.00 H new ATOM 0 HA ILE A 98 3.674 12.277 -8.359 1.00 0.00 H new ATOM 0 HB ILE A 98 4.097 10.297 -6.069 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.632 10.814 -7.799 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.777 9.530 -8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.250 11.533 -4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 98 3.641 12.601 -5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 98 2.215 12.680 -6.346 1.00 0.00 H new ATOM 0 HD11 ILE A 98 0.877 8.680 -6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.394 8.575 -5.864 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.232 9.879 -5.522 1.00 0.00 H new