USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 641 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0717 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 25:sc= 0.108 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 68:sc= 0.994 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc=-0.00905 K(o=-0.009,f=-0.98) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.562 X(o=-0.56,f=-0.64) USER MOD Single : A 24 LYS NZ :NH3+ -121:sc= 0 (180deg=-1.48) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -128:sc= -3.57! (180deg=-6.87!) USER MOD Single : A 49 ASN : amide:sc= 0.951 K(o=0.95,f=-0.32) USER MOD Single : A 51 ASN : amide:sc= -2.05! C(o=-2.1!,f=-4.6!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -5.52! C(o=-5.5!,f=-7.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= -6.85! C(o=-6.8!,f=-6.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -2.02! X(o=-2!,f=-1.9) USER MOD Single : A 77 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.4!) USER MOD Single : A 81 ASN : amide:sc= -0.0803 K(o=-0.08,f=-0.92) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 54:sc= 0.0415 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.239 -38.291 5.608 1.00 0.00 N ATOM 2 CA GLY A 1 27.755 -36.965 5.272 1.00 0.00 C ATOM 3 C GLY A 1 26.308 -36.975 4.817 1.00 0.00 C ATOM 4 O GLY A 1 25.780 -38.016 4.428 1.00 0.00 O ATOM 0 H1 GLY A 1 28.364 -38.364 6.638 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.550 -39.003 5.291 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.151 -38.458 5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.855 -36.314 6.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.378 -36.543 4.483 1.00 0.00 H new ATOM 8 N SER A 2 25.666 -35.812 4.869 1.00 0.00 N ATOM 9 CA SER A 2 24.270 -35.692 4.465 1.00 0.00 C ATOM 10 C SER A 2 23.960 -34.272 4.000 1.00 0.00 C ATOM 11 O SER A 2 24.684 -33.330 4.321 1.00 0.00 O ATOM 12 CB SER A 2 23.347 -36.075 5.623 1.00 0.00 C ATOM 13 OG SER A 2 23.634 -35.308 6.779 1.00 0.00 O ATOM 0 H SER A 2 26.090 -34.940 5.187 1.00 0.00 H new ATOM 0 HA SER A 2 24.098 -36.374 3.633 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.308 -35.922 5.330 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.462 -37.135 5.848 1.00 0.00 H new ATOM 0 HG SER A 2 23.029 -35.571 7.504 1.00 0.00 H new ATOM 19 N SER A 3 22.877 -34.128 3.242 1.00 0.00 N ATOM 20 CA SER A 3 22.472 -32.825 2.729 1.00 0.00 C ATOM 21 C SER A 3 21.009 -32.843 2.295 1.00 0.00 C ATOM 22 O SER A 3 20.389 -33.902 2.207 1.00 0.00 O ATOM 23 CB SER A 3 23.360 -32.418 1.551 1.00 0.00 C ATOM 24 OG SER A 3 23.458 -31.008 1.450 1.00 0.00 O ATOM 0 H SER A 3 22.265 -34.897 2.970 1.00 0.00 H new ATOM 0 HA SER A 3 22.587 -32.095 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.354 -32.847 1.676 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.951 -32.825 0.626 1.00 0.00 H new ATOM 0 HG SER A 3 24.032 -30.774 0.691 1.00 0.00 H new ATOM 30 N GLY A 4 20.463 -31.661 2.025 1.00 0.00 N ATOM 31 CA GLY A 4 19.078 -31.562 1.605 1.00 0.00 C ATOM 32 C GLY A 4 18.942 -31.155 0.151 1.00 0.00 C ATOM 33 O GLY A 4 19.871 -31.324 -0.638 1.00 0.00 O ATOM 0 H GLY A 4 20.956 -30.770 2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.585 -32.522 1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.562 -30.835 2.233 1.00 0.00 H new ATOM 37 N SER A 5 17.778 -30.620 -0.206 1.00 0.00 N ATOM 38 CA SER A 5 17.521 -30.193 -1.576 1.00 0.00 C ATOM 39 C SER A 5 16.598 -28.978 -1.603 1.00 0.00 C ATOM 40 O SER A 5 15.950 -28.655 -0.607 1.00 0.00 O ATOM 41 CB SER A 5 16.901 -31.337 -2.381 1.00 0.00 C ATOM 42 OG SER A 5 17.902 -32.194 -2.903 1.00 0.00 O ATOM 0 H SER A 5 16.998 -30.472 0.435 1.00 0.00 H new ATOM 0 HA SER A 5 18.473 -29.914 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.224 -31.908 -1.745 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.304 -30.930 -3.197 1.00 0.00 H new ATOM 0 HG SER A 5 18.709 -32.128 -2.352 1.00 0.00 H new ATOM 48 N SER A 6 16.545 -28.309 -2.750 1.00 0.00 N ATOM 49 CA SER A 6 15.705 -27.127 -2.907 1.00 0.00 C ATOM 50 C SER A 6 14.229 -27.511 -2.946 1.00 0.00 C ATOM 51 O SER A 6 13.872 -28.609 -3.372 1.00 0.00 O ATOM 52 CB SER A 6 16.081 -26.374 -4.184 1.00 0.00 C ATOM 53 OG SER A 6 17.465 -26.071 -4.208 1.00 0.00 O ATOM 0 H SER A 6 17.073 -28.565 -3.584 1.00 0.00 H new ATOM 0 HA SER A 6 15.871 -26.477 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.822 -26.976 -5.055 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.502 -25.453 -4.250 1.00 0.00 H new ATOM 0 HG SER A 6 17.681 -25.591 -5.035 1.00 0.00 H new ATOM 59 N GLY A 7 13.373 -26.598 -2.497 1.00 0.00 N ATOM 60 CA GLY A 7 11.946 -26.858 -2.488 1.00 0.00 C ATOM 61 C GLY A 7 11.222 -26.162 -3.623 1.00 0.00 C ATOM 62 O GLY A 7 11.839 -25.602 -4.530 1.00 0.00 O ATOM 0 H GLY A 7 13.643 -25.682 -2.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.775 -27.932 -2.557 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.526 -26.529 -1.537 1.00 0.00 H new ATOM 66 N PRO A 8 9.882 -26.192 -3.583 1.00 0.00 N ATOM 67 CA PRO A 8 9.045 -25.565 -4.610 1.00 0.00 C ATOM 68 C PRO A 8 9.109 -24.042 -4.559 1.00 0.00 C ATOM 69 O PRO A 8 9.568 -23.462 -3.574 1.00 0.00 O ATOM 70 CB PRO A 8 7.635 -26.052 -4.265 1.00 0.00 C ATOM 71 CG PRO A 8 7.685 -26.353 -2.807 1.00 0.00 C ATOM 72 CD PRO A 8 9.081 -26.842 -2.533 1.00 0.00 C ATOM 0 HA PRO A 8 9.368 -25.830 -5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.888 -25.290 -4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.369 -26.937 -4.843 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.460 -25.465 -2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.947 -27.109 -2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.418 -26.557 -1.536 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.145 -27.928 -2.593 1.00 0.00 H new ATOM 80 N LEU A 9 8.647 -23.399 -5.626 1.00 0.00 N ATOM 81 CA LEU A 9 8.652 -21.942 -5.703 1.00 0.00 C ATOM 82 C LEU A 9 7.311 -21.419 -6.208 1.00 0.00 C ATOM 83 O LEU A 9 6.618 -22.070 -6.991 1.00 0.00 O ATOM 84 CB LEU A 9 9.778 -21.464 -6.621 1.00 0.00 C ATOM 85 CG LEU A 9 9.538 -21.633 -8.122 1.00 0.00 C ATOM 86 CD1 LEU A 9 8.632 -20.530 -8.646 1.00 0.00 C ATOM 87 CD2 LEU A 9 10.860 -21.644 -8.876 1.00 0.00 C ATOM 0 H LEU A 9 8.264 -23.863 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 9 8.819 -21.550 -4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.961 -20.409 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 9 10.688 -22.002 -6.356 1.00 0.00 H new ATOM 0 HG LEU A 9 9.042 -22.590 -8.285 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.473 -20.667 -9.716 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.674 -20.570 -8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.099 -19.561 -8.470 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.670 -21.765 -9.942 1.00 0.00 H new ATOM 0 HD22 LEU A 9 11.384 -20.704 -8.705 1.00 0.00 H new ATOM 0 HD23 LEU A 9 11.475 -22.471 -8.521 1.00 0.00 H new ATOM 99 N PRO A 10 6.936 -20.215 -5.754 1.00 0.00 N ATOM 100 CA PRO A 10 5.677 -19.576 -6.149 1.00 0.00 C ATOM 101 C PRO A 10 5.685 -19.132 -7.608 1.00 0.00 C ATOM 102 O PRO A 10 6.555 -18.369 -8.029 1.00 0.00 O ATOM 103 CB PRO A 10 5.588 -18.362 -5.221 1.00 0.00 C ATOM 104 CG PRO A 10 7.001 -18.058 -4.858 1.00 0.00 C ATOM 105 CD PRO A 10 7.712 -19.383 -4.819 1.00 0.00 C ATOM 0 HA PRO A 10 4.830 -20.257 -6.064 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.117 -17.516 -5.721 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.991 -18.583 -4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 10 7.457 -17.391 -5.590 1.00 0.00 H new ATOM 0 HG3 PRO A 10 7.057 -17.556 -3.892 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.752 -19.290 -5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 10 7.718 -19.806 -3.815 1.00 0.00 H new ATOM 113 N SER A 11 4.712 -19.613 -8.374 1.00 0.00 N ATOM 114 CA SER A 11 4.609 -19.268 -9.787 1.00 0.00 C ATOM 115 C SER A 11 3.164 -18.961 -10.168 1.00 0.00 C ATOM 116 O SER A 11 2.225 -19.466 -9.550 1.00 0.00 O ATOM 117 CB SER A 11 5.145 -20.409 -10.653 1.00 0.00 C ATOM 118 OG SER A 11 5.348 -19.984 -11.989 1.00 0.00 O ATOM 0 H SER A 11 3.983 -20.243 -8.040 1.00 0.00 H new ATOM 0 HA SER A 11 5.210 -18.376 -9.962 1.00 0.00 H new ATOM 0 HB2 SER A 11 6.084 -20.774 -10.238 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.443 -21.243 -10.636 1.00 0.00 H new ATOM 0 HG SER A 11 5.692 -20.731 -12.521 1.00 0.00 H new ATOM 124 N THR A 12 2.992 -18.129 -11.190 1.00 0.00 N ATOM 125 CA THR A 12 1.662 -17.753 -11.654 1.00 0.00 C ATOM 126 C THR A 12 0.710 -17.544 -10.482 1.00 0.00 C ATOM 127 O THR A 12 -0.458 -17.928 -10.545 1.00 0.00 O ATOM 128 CB THR A 12 1.073 -18.820 -12.596 1.00 0.00 C ATOM 129 OG1 THR A 12 0.460 -19.864 -11.831 1.00 0.00 O ATOM 130 CG2 THR A 12 2.154 -19.408 -13.491 1.00 0.00 C ATOM 0 H THR A 12 3.757 -17.702 -11.712 1.00 0.00 H new ATOM 0 HA THR A 12 1.771 -16.817 -12.201 1.00 0.00 H new ATOM 0 HB THR A 12 0.322 -18.343 -13.226 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.339 -19.516 -11.384 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.714 -20.159 -14.147 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.599 -18.616 -14.093 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.925 -19.871 -12.875 1.00 0.00 H new ATOM 138 N GLN A 13 1.216 -16.934 -9.416 1.00 0.00 N ATOM 139 CA GLN A 13 0.408 -16.675 -8.230 1.00 0.00 C ATOM 140 C GLN A 13 0.402 -15.188 -7.889 1.00 0.00 C ATOM 141 O GLN A 13 1.346 -14.675 -7.289 1.00 0.00 O ATOM 142 CB GLN A 13 0.937 -17.480 -7.041 1.00 0.00 C ATOM 143 CG GLN A 13 0.037 -17.419 -5.817 1.00 0.00 C ATOM 144 CD GLN A 13 0.615 -18.166 -4.631 1.00 0.00 C ATOM 145 OE1 GLN A 13 1.677 -17.814 -4.118 1.00 0.00 O ATOM 146 NE2 GLN A 13 -0.084 -19.205 -4.188 1.00 0.00 N ATOM 0 H GLN A 13 2.181 -16.610 -9.349 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.615 -16.984 -8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 13 1.057 -18.521 -7.342 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.926 -17.109 -6.773 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.125 -16.377 -5.541 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.938 -17.838 -6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.960 -19.462 -4.643 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.255 -19.746 -3.392 1.00 0.00 H new ATOM 155 N ASN A 14 -0.667 -14.501 -8.277 1.00 0.00 N ATOM 156 CA ASN A 14 -0.795 -13.073 -8.014 1.00 0.00 C ATOM 157 C ASN A 14 -0.261 -12.725 -6.628 1.00 0.00 C ATOM 158 O ASN A 14 -0.815 -13.148 -5.614 1.00 0.00 O ATOM 159 CB ASN A 14 -2.258 -12.640 -8.132 1.00 0.00 C ATOM 160 CG ASN A 14 -2.768 -12.709 -9.559 1.00 0.00 C ATOM 161 OD1 ASN A 14 -2.007 -12.534 -10.511 1.00 0.00 O ATOM 162 ND2 ASN A 14 -4.062 -12.964 -9.713 1.00 0.00 N ATOM 0 H ASN A 14 -1.457 -14.910 -8.775 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.204 -12.538 -8.757 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.875 -13.276 -7.497 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.364 -11.621 -7.760 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.463 -13.022 -10.649 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -4.655 -13.102 -8.895 1.00 0.00 H new ATOM 169 N GLY A 15 0.819 -11.951 -6.593 1.00 0.00 N ATOM 170 CA GLY A 15 1.410 -11.559 -5.326 1.00 0.00 C ATOM 171 C GLY A 15 0.761 -10.320 -4.743 1.00 0.00 C ATOM 172 O GLY A 15 -0.371 -9.970 -5.076 1.00 0.00 O ATOM 0 H GLY A 15 1.295 -11.588 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.319 -12.381 -4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.475 -11.376 -5.467 1.00 0.00 H new ATOM 176 N PRO A 16 1.486 -9.633 -3.847 1.00 0.00 N ATOM 177 CA PRO A 16 0.993 -8.416 -3.196 1.00 0.00 C ATOM 178 C PRO A 16 0.894 -7.241 -4.162 1.00 0.00 C ATOM 179 O PRO A 16 1.649 -7.154 -5.130 1.00 0.00 O ATOM 180 CB PRO A 16 2.047 -8.137 -2.121 1.00 0.00 C ATOM 181 CG PRO A 16 3.290 -8.779 -2.634 1.00 0.00 C ATOM 182 CD PRO A 16 2.843 -9.992 -3.402 1.00 0.00 C ATOM 0 HA PRO A 16 -0.015 -8.545 -2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.187 -7.066 -1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.752 -8.557 -1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.847 -8.095 -3.274 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.952 -9.058 -1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.501 -10.198 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.838 -10.884 -2.776 1.00 0.00 H new ATOM 190 N VAL A 17 -0.044 -6.338 -3.893 1.00 0.00 N ATOM 191 CA VAL A 17 -0.241 -5.166 -4.739 1.00 0.00 C ATOM 192 C VAL A 17 0.661 -4.016 -4.304 1.00 0.00 C ATOM 193 O VAL A 17 0.698 -3.652 -3.129 1.00 0.00 O ATOM 194 CB VAL A 17 -1.707 -4.693 -4.710 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.954 -3.653 -5.791 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.651 -5.875 -4.870 1.00 0.00 C ATOM 0 H VAL A 17 -0.679 -6.395 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 17 0.018 -5.462 -5.756 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.902 -4.230 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.995 -3.331 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.303 -2.795 -5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.742 -4.087 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.682 -5.523 -4.847 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.457 -6.369 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.491 -6.581 -4.055 1.00 0.00 H new ATOM 206 N PHE A 18 1.387 -3.448 -5.260 1.00 0.00 N ATOM 207 CA PHE A 18 2.291 -2.339 -4.977 1.00 0.00 C ATOM 208 C PHE A 18 1.769 -1.042 -5.590 1.00 0.00 C ATOM 209 O PHE A 18 1.557 -0.956 -6.799 1.00 0.00 O ATOM 210 CB PHE A 18 3.691 -2.643 -5.514 1.00 0.00 C ATOM 211 CG PHE A 18 4.322 -3.855 -4.890 1.00 0.00 C ATOM 212 CD1 PHE A 18 4.653 -3.864 -3.544 1.00 0.00 C ATOM 213 CD2 PHE A 18 4.585 -4.984 -5.648 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.234 -4.978 -2.967 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.164 -6.100 -5.076 1.00 0.00 C ATOM 216 CZ PHE A 18 5.491 -6.097 -3.734 1.00 0.00 C ATOM 0 H PHE A 18 1.367 -3.737 -6.238 1.00 0.00 H new ATOM 0 HA PHE A 18 2.344 -2.214 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.634 -2.788 -6.593 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.333 -1.779 -5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.455 -2.991 -2.939 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.334 -4.992 -6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 18 5.487 -4.973 -1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.361 -6.975 -5.678 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.947 -6.968 -3.286 1.00 0.00 H new ATOM 226 N ALA A 19 1.565 -0.036 -4.746 1.00 0.00 N ATOM 227 CA ALA A 19 1.071 1.257 -5.204 1.00 0.00 C ATOM 228 C ALA A 19 2.003 2.384 -4.775 1.00 0.00 C ATOM 229 O ALA A 19 2.289 2.550 -3.589 1.00 0.00 O ATOM 230 CB ALA A 19 -0.335 1.501 -4.675 1.00 0.00 C ATOM 0 H ALA A 19 1.734 -0.091 -3.742 1.00 0.00 H new ATOM 0 HA ALA A 19 1.040 1.242 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.692 2.470 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.001 0.717 -5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.321 1.491 -3.585 1.00 0.00 H new ATOM 236 N LYS A 20 2.474 3.158 -5.747 1.00 0.00 N ATOM 237 CA LYS A 20 3.374 4.271 -5.471 1.00 0.00 C ATOM 238 C LYS A 20 2.592 5.514 -5.059 1.00 0.00 C ATOM 239 O LYS A 20 1.476 5.740 -5.527 1.00 0.00 O ATOM 240 CB LYS A 20 4.231 4.579 -6.701 1.00 0.00 C ATOM 241 CG LYS A 20 5.268 5.663 -6.465 1.00 0.00 C ATOM 242 CD LYS A 20 6.479 5.482 -7.365 1.00 0.00 C ATOM 243 CE LYS A 20 6.138 5.760 -8.821 1.00 0.00 C ATOM 244 NZ LYS A 20 7.327 6.220 -9.590 1.00 0.00 N ATOM 0 H LYS A 20 2.247 3.035 -6.734 1.00 0.00 H new ATOM 0 HA LYS A 20 4.025 3.983 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.737 3.667 -7.018 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.580 4.884 -7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.821 6.641 -6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.583 5.645 -5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.276 6.152 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.858 4.465 -7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.736 4.856 -9.279 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.356 6.518 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.054 6.399 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.695 7.096 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.064 5.486 -9.562 1.00 0.00 H new ATOM 258 N ALA A 21 3.185 6.319 -4.183 1.00 0.00 N ATOM 259 CA ALA A 21 2.545 7.540 -3.712 1.00 0.00 C ATOM 260 C ALA A 21 2.742 8.681 -4.705 1.00 0.00 C ATOM 261 O ALA A 21 3.871 9.084 -4.986 1.00 0.00 O ATOM 262 CB ALA A 21 3.089 7.928 -2.345 1.00 0.00 C ATOM 0 H ALA A 21 4.108 6.147 -3.785 1.00 0.00 H new ATOM 0 HA ALA A 21 1.475 7.350 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.602 8.842 -2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.892 7.126 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.164 8.094 -2.415 1.00 0.00 H new ATOM 268 N ILE A 22 1.637 9.197 -5.232 1.00 0.00 N ATOM 269 CA ILE A 22 1.689 10.292 -6.193 1.00 0.00 C ATOM 270 C ILE A 22 1.658 11.644 -5.488 1.00 0.00 C ATOM 271 O ILE A 22 2.188 12.632 -5.997 1.00 0.00 O ATOM 272 CB ILE A 22 0.520 10.220 -7.193 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.801 10.005 -6.451 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.754 9.106 -8.202 1.00 0.00 C ATOM 275 CD1 ILE A 22 -2.003 10.560 -7.184 1.00 0.00 C ATOM 0 H ILE A 22 0.695 8.875 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 22 2.628 10.190 -6.737 1.00 0.00 H new ATOM 0 HB ILE A 22 0.463 11.166 -7.732 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.947 8.937 -6.287 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.737 10.473 -5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.081 9.068 -8.902 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.677 9.298 -8.749 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.833 8.153 -7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.904 10.372 -6.600 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.879 11.634 -7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.093 10.075 -8.156 1.00 0.00 H new ATOM 287 N GLN A 23 1.036 11.679 -4.315 1.00 0.00 N ATOM 288 CA GLN A 23 0.937 12.910 -3.540 1.00 0.00 C ATOM 289 C GLN A 23 1.696 12.786 -2.222 1.00 0.00 C ATOM 290 O GLN A 23 2.294 11.750 -1.933 1.00 0.00 O ATOM 291 CB GLN A 23 -0.529 13.251 -3.267 1.00 0.00 C ATOM 292 CG GLN A 23 -1.177 14.073 -4.370 1.00 0.00 C ATOM 293 CD GLN A 23 -0.315 15.239 -4.812 1.00 0.00 C ATOM 294 OE1 GLN A 23 0.245 15.960 -3.986 1.00 0.00 O ATOM 295 NE2 GLN A 23 -0.205 15.431 -6.121 1.00 0.00 N ATOM 0 H GLN A 23 0.593 10.870 -3.880 1.00 0.00 H new ATOM 0 HA GLN A 23 1.386 13.713 -4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.091 12.326 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.597 13.800 -2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.378 13.430 -5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.139 14.449 -4.021 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.687 14.809 -6.770 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.361 16.201 -6.478 1.00 0.00 H new ATOM 304 N LYS A 24 1.667 13.850 -1.426 1.00 0.00 N ATOM 305 CA LYS A 24 2.350 13.861 -0.138 1.00 0.00 C ATOM 306 C LYS A 24 1.357 13.690 1.006 1.00 0.00 C ATOM 307 O LYS A 24 0.541 14.573 1.270 1.00 0.00 O ATOM 308 CB LYS A 24 3.128 15.167 0.038 1.00 0.00 C ATOM 309 CG LYS A 24 3.856 15.267 1.368 1.00 0.00 C ATOM 310 CD LYS A 24 4.963 16.306 1.321 1.00 0.00 C ATOM 311 CE LYS A 24 5.779 16.310 2.604 1.00 0.00 C ATOM 312 NZ LYS A 24 5.141 17.140 3.664 1.00 0.00 N ATOM 0 H LYS A 24 1.177 14.716 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 24 3.048 13.024 -0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.852 15.260 -0.771 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.438 16.006 -0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.146 15.526 2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.278 14.296 1.627 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.617 16.104 0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.530 17.293 1.161 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.895 15.288 2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.779 16.691 2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.795 17.895 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 4.266 17.563 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.916 16.542 4.485 1.00 0.00 H new ATOM 326 N ARG A 25 1.433 12.549 1.684 1.00 0.00 N ATOM 327 CA ARG A 25 0.541 12.262 2.801 1.00 0.00 C ATOM 328 C ARG A 25 1.168 12.694 4.123 1.00 0.00 C ATOM 329 O ARG A 25 2.243 12.222 4.496 1.00 0.00 O ATOM 330 CB ARG A 25 0.208 10.770 2.845 1.00 0.00 C ATOM 331 CG ARG A 25 -0.456 10.332 4.141 1.00 0.00 C ATOM 332 CD ARG A 25 -1.783 11.044 4.355 1.00 0.00 C ATOM 333 NE ARG A 25 -2.748 10.732 3.304 1.00 0.00 N ATOM 334 CZ ARG A 25 -3.927 11.331 3.188 1.00 0.00 C ATOM 335 NH1 ARG A 25 -4.286 12.269 4.053 1.00 0.00 N ATOM 336 NH2 ARG A 25 -4.751 10.992 2.205 1.00 0.00 N ATOM 0 H ARG A 25 2.103 11.808 1.479 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.379 12.828 2.653 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.450 10.528 2.010 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.125 10.197 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.619 9.254 4.122 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.209 10.539 4.980 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.196 10.758 5.322 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.616 12.121 4.385 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.503 10.015 2.622 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.656 12.532 4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.193 12.727 3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.479 10.270 1.537 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.657 11.453 2.117 1.00 0.00 H new ATOM 350 N VAL A 26 0.490 13.595 4.828 1.00 0.00 N ATOM 351 CA VAL A 26 0.981 14.090 6.108 1.00 0.00 C ATOM 352 C VAL A 26 -0.047 13.869 7.213 1.00 0.00 C ATOM 353 O VAL A 26 -0.935 14.690 7.442 1.00 0.00 O ATOM 354 CB VAL A 26 1.326 15.589 6.035 1.00 0.00 C ATOM 355 CG1 VAL A 26 1.848 16.083 7.376 1.00 0.00 C ATOM 356 CG2 VAL A 26 2.338 15.849 4.931 1.00 0.00 C ATOM 0 H VAL A 26 -0.400 13.996 4.534 1.00 0.00 H new ATOM 0 HA VAL A 26 1.886 13.528 6.339 1.00 0.00 H new ATOM 0 HB VAL A 26 0.417 16.142 5.800 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.087 17.144 7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.086 15.933 8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.746 15.526 7.644 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.570 16.913 4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.249 15.286 5.132 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.921 15.535 3.974 1.00 0.00 H new ATOM 366 N PRO A 27 0.076 12.733 7.916 1.00 0.00 N ATOM 367 CA PRO A 27 -0.833 12.378 9.010 1.00 0.00 C ATOM 368 C PRO A 27 -0.646 13.270 10.232 1.00 0.00 C ATOM 369 O PRO A 27 0.402 13.893 10.403 1.00 0.00 O ATOM 370 CB PRO A 27 -0.446 10.933 9.338 1.00 0.00 C ATOM 371 CG PRO A 27 0.972 10.812 8.897 1.00 0.00 C ATOM 372 CD PRO A 27 1.111 11.709 7.698 1.00 0.00 C ATOM 0 HA PRO A 27 -1.878 12.500 8.727 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.548 10.728 10.404 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.086 10.223 8.814 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.655 11.114 9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.215 9.780 8.643 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.106 12.150 7.639 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.948 11.165 6.768 1.00 0.00 H new ATOM 380 N CYS A 28 -1.668 13.326 11.079 1.00 0.00 N ATOM 381 CA CYS A 28 -1.616 14.143 12.287 1.00 0.00 C ATOM 382 C CYS A 28 -0.770 13.470 13.363 1.00 0.00 C ATOM 383 O CYS A 28 -0.635 12.247 13.385 1.00 0.00 O ATOM 384 CB CYS A 28 -3.028 14.398 12.816 1.00 0.00 C ATOM 385 SG CYS A 28 -3.870 15.791 12.029 1.00 0.00 S ATOM 0 H CYS A 28 -2.542 12.816 10.952 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.154 15.097 12.031 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.626 13.498 12.673 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.975 14.579 13.890 1.00 0.00 H new ATOM 0 HG CYS A 28 -5.057 15.926 12.541 1.00 0.00 H new ATOM 391 N ALA A 29 -0.202 14.277 14.253 1.00 0.00 N ATOM 392 CA ALA A 29 0.630 13.759 15.331 1.00 0.00 C ATOM 393 C ALA A 29 -0.142 12.765 16.192 1.00 0.00 C ATOM 394 O ALA A 29 0.375 11.706 16.550 1.00 0.00 O ATOM 395 CB ALA A 29 1.157 14.902 16.186 1.00 0.00 C ATOM 0 H ALA A 29 -0.303 15.292 14.248 1.00 0.00 H new ATOM 0 HA ALA A 29 1.474 13.234 14.884 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.777 14.501 16.988 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.753 15.574 15.568 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.319 15.451 16.616 1.00 0.00 H new ATOM 401 N TYR A 30 -1.381 13.113 16.521 1.00 0.00 N ATOM 402 CA TYR A 30 -2.224 12.252 17.343 1.00 0.00 C ATOM 403 C TYR A 30 -2.648 11.007 16.570 1.00 0.00 C ATOM 404 O TYR A 30 -2.751 9.917 17.134 1.00 0.00 O ATOM 405 CB TYR A 30 -3.460 13.016 17.818 1.00 0.00 C ATOM 406 CG TYR A 30 -3.185 14.465 18.151 1.00 0.00 C ATOM 407 CD1 TYR A 30 -3.203 15.441 17.161 1.00 0.00 C ATOM 408 CD2 TYR A 30 -2.907 14.859 19.454 1.00 0.00 C ATOM 409 CE1 TYR A 30 -2.951 16.766 17.460 1.00 0.00 C ATOM 410 CE2 TYR A 30 -2.657 16.182 19.762 1.00 0.00 C ATOM 411 CZ TYR A 30 -2.679 17.132 18.762 1.00 0.00 C ATOM 412 OH TYR A 30 -2.429 18.451 19.065 1.00 0.00 O ATOM 0 H TYR A 30 -1.824 13.985 16.231 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.643 11.939 18.211 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.226 12.969 17.044 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.867 12.520 18.699 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.418 15.159 16.141 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.886 14.118 20.239 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.967 17.511 16.679 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.445 16.471 20.781 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.257 18.539 20.026 1.00 0.00 H new ATOM 422 N ASP A 31 -2.892 11.177 15.275 1.00 0.00 N ATOM 423 CA ASP A 31 -3.303 10.067 14.423 1.00 0.00 C ATOM 424 C ASP A 31 -2.179 9.047 14.279 1.00 0.00 C ATOM 425 O ASP A 31 -1.045 9.397 13.950 1.00 0.00 O ATOM 426 CB ASP A 31 -3.720 10.583 13.045 1.00 0.00 C ATOM 427 CG ASP A 31 -5.192 10.942 12.981 1.00 0.00 C ATOM 428 OD1 ASP A 31 -5.740 11.380 14.014 1.00 0.00 O ATOM 429 OD2 ASP A 31 -5.795 10.784 11.899 1.00 0.00 O ATOM 0 H ASP A 31 -2.812 12.072 14.793 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.156 9.576 14.893 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.124 11.460 12.793 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.502 9.823 12.295 1.00 0.00 H new ATOM 434 N LYS A 32 -2.499 7.782 14.529 1.00 0.00 N ATOM 435 CA LYS A 32 -1.517 6.709 14.427 1.00 0.00 C ATOM 436 C LYS A 32 -1.871 5.753 13.293 1.00 0.00 C ATOM 437 O LYS A 32 -0.992 5.256 12.587 1.00 0.00 O ATOM 438 CB LYS A 32 -1.433 5.940 15.748 1.00 0.00 C ATOM 439 CG LYS A 32 -1.021 6.803 16.928 1.00 0.00 C ATOM 440 CD LYS A 32 0.469 7.101 16.908 1.00 0.00 C ATOM 441 CE LYS A 32 0.894 7.897 18.132 1.00 0.00 C ATOM 442 NZ LYS A 32 1.289 7.010 19.261 1.00 0.00 N ATOM 0 H LYS A 32 -3.432 7.474 14.804 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.547 7.157 14.211 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.403 5.490 15.959 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.719 5.123 15.639 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.580 7.738 16.909 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.279 6.297 17.858 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.028 6.166 16.869 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.718 7.659 16.005 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.730 8.546 17.871 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.075 8.543 18.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.572 7.591 20.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.484 6.408 19.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.087 6.411 18.969 1.00 0.00 H new ATOM 456 N THR A 33 -3.165 5.499 13.120 1.00 0.00 N ATOM 457 CA THR A 33 -3.635 4.603 12.071 1.00 0.00 C ATOM 458 C THR A 33 -3.364 5.185 10.689 1.00 0.00 C ATOM 459 O THR A 33 -3.309 4.457 9.698 1.00 0.00 O ATOM 460 CB THR A 33 -5.143 4.319 12.209 1.00 0.00 C ATOM 461 OG1 THR A 33 -5.867 5.550 12.303 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.422 3.465 13.437 1.00 0.00 C ATOM 0 H THR A 33 -3.906 5.902 13.694 1.00 0.00 H new ATOM 0 HA THR A 33 -3.085 3.669 12.183 1.00 0.00 H new ATOM 0 HB THR A 33 -5.470 3.773 11.324 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.825 5.361 12.389 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.493 3.277 13.514 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.893 2.516 13.348 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.080 3.989 14.330 1.00 0.00 H new ATOM 470 N ALA A 34 -3.194 6.502 10.629 1.00 0.00 N ATOM 471 CA ALA A 34 -2.925 7.182 9.368 1.00 0.00 C ATOM 472 C ALA A 34 -1.467 7.013 8.953 1.00 0.00 C ATOM 473 O ALA A 34 -0.569 7.614 9.545 1.00 0.00 O ATOM 474 CB ALA A 34 -3.278 8.657 9.478 1.00 0.00 C ATOM 0 H ALA A 34 -3.238 7.119 11.440 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.549 6.728 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.072 9.152 8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.336 8.761 9.719 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.680 9.117 10.265 1.00 0.00 H new ATOM 480 N LEU A 35 -1.238 6.193 7.934 1.00 0.00 N ATOM 481 CA LEU A 35 0.113 5.945 7.441 1.00 0.00 C ATOM 482 C LEU A 35 0.686 7.191 6.773 1.00 0.00 C ATOM 483 O LEU A 35 0.020 7.834 5.961 1.00 0.00 O ATOM 484 CB LEU A 35 0.109 4.778 6.451 1.00 0.00 C ATOM 485 CG LEU A 35 1.390 3.947 6.389 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.197 2.734 5.493 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.554 4.796 5.898 1.00 0.00 C ATOM 0 H LEU A 35 -1.969 5.689 7.433 1.00 0.00 H new ATOM 0 HA LEU A 35 0.743 5.689 8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.718 4.115 6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.093 5.173 5.455 1.00 0.00 H new ATOM 0 HG LEU A 35 1.621 3.596 7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.120 2.155 5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.393 2.114 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.940 3.063 4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.458 4.188 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.331 5.177 4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.708 5.632 6.580 1.00 0.00 H new ATOM 499 N ALA A 36 1.924 7.525 7.119 1.00 0.00 N ATOM 500 CA ALA A 36 2.589 8.691 6.550 1.00 0.00 C ATOM 501 C ALA A 36 3.469 8.299 5.368 1.00 0.00 C ATOM 502 O ALA A 36 4.249 7.350 5.450 1.00 0.00 O ATOM 503 CB ALA A 36 3.414 9.399 7.614 1.00 0.00 C ATOM 0 H ALA A 36 2.488 7.004 7.791 1.00 0.00 H new ATOM 0 HA ALA A 36 1.822 9.375 6.186 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.905 10.268 7.175 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.761 9.722 8.425 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.167 8.715 8.005 1.00 0.00 H new ATOM 509 N LEU A 37 3.338 9.035 4.270 1.00 0.00 N ATOM 510 CA LEU A 37 4.122 8.764 3.070 1.00 0.00 C ATOM 511 C LEU A 37 4.562 10.063 2.402 1.00 0.00 C ATOM 512 O LEU A 37 4.035 11.134 2.700 1.00 0.00 O ATOM 513 CB LEU A 37 3.309 7.921 2.086 1.00 0.00 C ATOM 514 CG LEU A 37 2.776 6.592 2.621 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.763 5.995 1.656 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.919 5.618 2.866 1.00 0.00 C ATOM 0 H LEU A 37 2.697 9.824 4.186 1.00 0.00 H new ATOM 0 HA LEU A 37 5.013 8.209 3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.463 8.516 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.931 7.716 1.215 1.00 0.00 H new ATOM 0 HG LEU A 37 2.275 6.780 3.571 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.395 5.049 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.929 6.685 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.238 5.822 0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.520 4.678 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.448 5.436 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.608 6.042 3.596 1.00 0.00 H new ATOM 528 N GLU A 38 5.530 9.958 1.497 1.00 0.00 N ATOM 529 CA GLU A 38 6.039 11.125 0.786 1.00 0.00 C ATOM 530 C GLU A 38 6.106 10.861 -0.716 1.00 0.00 C ATOM 531 O GLU A 38 6.472 9.768 -1.149 1.00 0.00 O ATOM 532 CB GLU A 38 7.425 11.505 1.311 1.00 0.00 C ATOM 533 CG GLU A 38 8.520 10.539 0.892 1.00 0.00 C ATOM 534 CD GLU A 38 9.703 10.551 1.840 1.00 0.00 C ATOM 535 OE1 GLU A 38 10.623 11.370 1.633 1.00 0.00 O ATOM 536 OE2 GLU A 38 9.708 9.741 2.791 1.00 0.00 O ATOM 0 H GLU A 38 5.977 9.078 1.239 1.00 0.00 H new ATOM 0 HA GLU A 38 5.353 11.953 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.678 12.504 0.955 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.391 11.553 2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.110 9.530 0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.861 10.795 -0.111 1.00 0.00 H new ATOM 543 N VAL A 39 5.751 11.870 -1.505 1.00 0.00 N ATOM 544 CA VAL A 39 5.771 11.749 -2.957 1.00 0.00 C ATOM 545 C VAL A 39 7.004 10.984 -3.428 1.00 0.00 C ATOM 546 O VAL A 39 8.125 11.485 -3.352 1.00 0.00 O ATOM 547 CB VAL A 39 5.748 13.131 -3.637 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.735 12.982 -5.151 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.549 13.937 -3.162 1.00 0.00 C ATOM 0 H VAL A 39 5.446 12.781 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 39 4.874 11.198 -3.240 1.00 0.00 H new ATOM 0 HB VAL A 39 6.653 13.670 -3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.719 13.969 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.628 12.446 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.849 12.425 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.548 14.911 -3.652 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.631 13.404 -3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.608 14.074 -2.082 1.00 0.00 H new ATOM 559 N GLY A 40 6.787 9.766 -3.915 1.00 0.00 N ATOM 560 CA GLY A 40 7.890 8.951 -4.391 1.00 0.00 C ATOM 561 C GLY A 40 8.211 7.804 -3.453 1.00 0.00 C ATOM 562 O GLY A 40 9.377 7.463 -3.255 1.00 0.00 O ATOM 0 H GLY A 40 5.868 9.329 -3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.645 8.553 -5.376 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.775 9.577 -4.511 1.00 0.00 H new ATOM 566 N ASP A 41 7.175 7.210 -2.871 1.00 0.00 N ATOM 567 CA ASP A 41 7.352 6.095 -1.948 1.00 0.00 C ATOM 568 C ASP A 41 6.474 4.914 -2.347 1.00 0.00 C ATOM 569 O ASP A 41 5.342 5.094 -2.798 1.00 0.00 O ATOM 570 CB ASP A 41 7.023 6.532 -0.519 1.00 0.00 C ATOM 571 CG ASP A 41 7.733 5.689 0.522 1.00 0.00 C ATOM 572 OD1 ASP A 41 7.653 4.446 0.433 1.00 0.00 O ATOM 573 OD2 ASP A 41 8.369 6.272 1.425 1.00 0.00 O ATOM 0 H ASP A 41 6.204 7.482 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 41 8.395 5.780 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.303 7.577 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.946 6.468 -0.361 1.00 0.00 H new ATOM 578 N ILE A 42 7.003 3.706 -2.179 1.00 0.00 N ATOM 579 CA ILE A 42 6.267 2.496 -2.522 1.00 0.00 C ATOM 580 C ILE A 42 5.532 1.937 -1.308 1.00 0.00 C ATOM 581 O ILE A 42 6.093 1.849 -0.216 1.00 0.00 O ATOM 582 CB ILE A 42 7.201 1.410 -3.087 1.00 0.00 C ATOM 583 CG1 ILE A 42 8.086 1.992 -4.191 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.390 0.236 -3.614 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.308 2.495 -5.387 1.00 0.00 C ATOM 0 H ILE A 42 7.938 3.540 -1.808 1.00 0.00 H new ATOM 0 HA ILE A 42 5.542 2.774 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 42 7.844 1.050 -2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.674 2.812 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.791 1.229 -4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.064 -0.523 -4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.799 -0.191 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.725 0.580 -4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.999 2.893 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.741 1.673 -5.824 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.623 3.281 -5.071 1.00 0.00 H new ATOM 597 N VAL A 43 4.273 1.559 -1.508 1.00 0.00 N ATOM 598 CA VAL A 43 3.461 1.005 -0.431 1.00 0.00 C ATOM 599 C VAL A 43 3.134 -0.461 -0.687 1.00 0.00 C ATOM 600 O VAL A 43 2.511 -0.803 -1.692 1.00 0.00 O ATOM 601 CB VAL A 43 2.148 1.791 -0.257 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.421 1.344 1.002 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.422 3.286 -0.223 1.00 0.00 C ATOM 0 H VAL A 43 3.794 1.626 -2.406 1.00 0.00 H new ATOM 0 HA VAL A 43 4.049 1.088 0.483 1.00 0.00 H new ATOM 0 HB VAL A 43 1.505 1.583 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.496 1.910 1.108 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.190 0.281 0.931 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.056 1.520 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.483 3.825 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.085 3.516 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.895 3.590 -1.157 1.00 0.00 H new ATOM 613 N LYS A 44 3.558 -1.325 0.229 1.00 0.00 N ATOM 614 CA LYS A 44 3.310 -2.757 0.104 1.00 0.00 C ATOM 615 C LYS A 44 2.101 -3.173 0.936 1.00 0.00 C ATOM 616 O LYS A 44 2.161 -3.203 2.165 1.00 0.00 O ATOM 617 CB LYS A 44 4.543 -3.550 0.544 1.00 0.00 C ATOM 618 CG LYS A 44 4.305 -5.047 0.626 1.00 0.00 C ATOM 619 CD LYS A 44 5.398 -5.743 1.420 1.00 0.00 C ATOM 620 CE LYS A 44 5.190 -7.249 1.455 1.00 0.00 C ATOM 621 NZ LYS A 44 6.272 -7.941 2.208 1.00 0.00 N ATOM 0 H LYS A 44 4.075 -1.059 1.067 1.00 0.00 H new ATOM 0 HA LYS A 44 3.101 -2.975 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.357 -3.358 -0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.868 -3.188 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.338 -5.238 1.092 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.262 -5.465 -0.380 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.369 -5.519 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.414 -5.353 2.438 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.227 -7.472 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.153 -7.634 0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.094 -8.966 2.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.188 -7.749 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.291 -7.592 3.188 1.00 0.00 H new ATOM 635 N VAL A 45 1.004 -3.495 0.258 1.00 0.00 N ATOM 636 CA VAL A 45 -0.218 -3.913 0.934 1.00 0.00 C ATOM 637 C VAL A 45 -0.450 -5.411 0.774 1.00 0.00 C ATOM 638 O VAL A 45 -0.457 -5.935 -0.340 1.00 0.00 O ATOM 639 CB VAL A 45 -1.445 -3.154 0.395 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.372 -3.027 -1.119 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.730 -3.851 0.819 1.00 0.00 C ATOM 0 H VAL A 45 0.937 -3.474 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.091 -3.679 1.991 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.446 -2.150 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.247 -2.488 -1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.470 -2.481 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.347 -4.021 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.587 -3.302 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.740 -4.867 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.784 -3.884 1.907 1.00 0.00 H new ATOM 651 N THR A 46 -0.640 -6.098 1.897 1.00 0.00 N ATOM 652 CA THR A 46 -0.872 -7.537 1.882 1.00 0.00 C ATOM 653 C THR A 46 -2.350 -7.858 2.078 1.00 0.00 C ATOM 654 O THR A 46 -2.814 -8.937 1.710 1.00 0.00 O ATOM 655 CB THR A 46 -0.055 -8.249 2.977 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.508 -7.839 4.272 1.00 0.00 O ATOM 657 CG2 THR A 46 1.428 -7.940 2.831 1.00 0.00 C ATOM 0 H THR A 46 -0.638 -5.681 2.828 1.00 0.00 H new ATOM 0 HA THR A 46 -0.551 -7.899 0.905 1.00 0.00 H new ATOM 0 HB THR A 46 -0.199 -9.324 2.867 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.015 -8.298 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.985 -8.453 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.776 -8.280 1.856 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.586 -6.865 2.918 1.00 0.00 H new ATOM 665 N ARG A 47 -3.083 -6.914 2.659 1.00 0.00 N ATOM 666 CA ARG A 47 -4.509 -7.097 2.904 1.00 0.00 C ATOM 667 C ARG A 47 -5.305 -5.896 2.404 1.00 0.00 C ATOM 668 O ARG A 47 -5.689 -5.025 3.185 1.00 0.00 O ATOM 669 CB ARG A 47 -4.768 -7.309 4.397 1.00 0.00 C ATOM 670 CG ARG A 47 -6.233 -7.537 4.734 1.00 0.00 C ATOM 671 CD ARG A 47 -6.691 -8.925 4.314 1.00 0.00 C ATOM 672 NE ARG A 47 -6.080 -9.973 5.127 1.00 0.00 N ATOM 673 CZ ARG A 47 -6.033 -11.250 4.766 1.00 0.00 C ATOM 674 NH1 ARG A 47 -6.559 -11.636 3.611 1.00 0.00 N ATOM 675 NH2 ARG A 47 -5.460 -12.145 5.560 1.00 0.00 N ATOM 0 H ARG A 47 -2.713 -6.015 2.969 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.836 -7.981 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.187 -8.165 4.740 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.408 -6.439 4.947 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.385 -7.411 5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.844 -6.785 4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.776 -8.989 4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.441 -9.087 3.266 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.667 -9.710 6.021 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.001 -10.951 2.998 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.521 -12.618 3.336 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.055 -11.853 6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.425 -13.126 5.281 1.00 0.00 H new ATOM 689 N MET A 48 -5.549 -5.856 1.098 1.00 0.00 N ATOM 690 CA MET A 48 -6.300 -4.761 0.495 1.00 0.00 C ATOM 691 C MET A 48 -7.795 -4.919 0.756 1.00 0.00 C ATOM 692 O MET A 48 -8.457 -5.751 0.138 1.00 0.00 O ATOM 693 CB MET A 48 -6.037 -4.703 -1.011 1.00 0.00 C ATOM 694 CG MET A 48 -6.162 -3.306 -1.597 1.00 0.00 C ATOM 695 SD MET A 48 -5.960 -3.283 -3.388 1.00 0.00 S ATOM 696 CE MET A 48 -4.530 -2.216 -3.553 1.00 0.00 C ATOM 0 H MET A 48 -5.238 -6.568 0.438 1.00 0.00 H new ATOM 0 HA MET A 48 -5.966 -3.829 0.951 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.036 -5.084 -1.211 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.738 -5.365 -1.520 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.138 -2.895 -1.340 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.413 -2.657 -1.143 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.751 -1.418 -4.262 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.286 -1.782 -2.583 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.682 -2.798 -3.914 1.00 0.00 H new ATOM 706 N ASN A 49 -8.319 -4.113 1.674 1.00 0.00 N ATOM 707 CA ASN A 49 -9.735 -4.165 2.017 1.00 0.00 C ATOM 708 C ASN A 49 -10.589 -3.598 0.887 1.00 0.00 C ATOM 709 O ASN A 49 -10.157 -2.705 0.157 1.00 0.00 O ATOM 710 CB ASN A 49 -9.997 -3.388 3.309 1.00 0.00 C ATOM 711 CG ASN A 49 -9.056 -3.791 4.427 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.784 -4.975 4.627 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.555 -2.806 5.163 1.00 0.00 N ATOM 0 H ASN A 49 -7.784 -3.417 2.193 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.009 -5.209 2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.891 -2.321 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.026 -3.554 3.627 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.917 -3.017 5.930 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.808 -1.839 4.961 1.00 0.00 H new ATOM 720 N ILE A 50 -11.802 -4.122 0.749 1.00 0.00 N ATOM 721 CA ILE A 50 -12.717 -3.667 -0.290 1.00 0.00 C ATOM 722 C ILE A 50 -13.230 -2.261 0.006 1.00 0.00 C ATOM 723 O ILE A 50 -13.224 -1.392 -0.865 1.00 0.00 O ATOM 724 CB ILE A 50 -13.919 -4.618 -0.438 1.00 0.00 C ATOM 725 CG1 ILE A 50 -13.440 -6.031 -0.777 1.00 0.00 C ATOM 726 CG2 ILE A 50 -14.871 -4.106 -1.508 1.00 0.00 C ATOM 727 CD1 ILE A 50 -14.354 -7.120 -0.260 1.00 0.00 C ATOM 0 H ILE A 50 -12.174 -4.862 1.344 1.00 0.00 H new ATOM 0 HA ILE A 50 -12.154 -3.658 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 50 -14.454 -4.653 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -13.351 -6.126 -1.859 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -12.443 -6.177 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -15.715 -4.789 -1.601 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.234 -3.117 -1.229 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -14.347 -4.045 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.952 -8.094 -0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -14.424 -7.052 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -15.346 -7.000 -0.695 1.00 0.00 H new ATOM 739 N ASN A 51 -13.671 -2.046 1.241 1.00 0.00 N ATOM 740 CA ASN A 51 -14.185 -0.745 1.652 1.00 0.00 C ATOM 741 C ASN A 51 -13.415 0.385 0.975 1.00 0.00 C ATOM 742 O ASN A 51 -14.001 1.245 0.320 1.00 0.00 O ATOM 743 CB ASN A 51 -14.098 -0.596 3.173 1.00 0.00 C ATOM 744 CG ASN A 51 -12.767 -0.025 3.623 1.00 0.00 C ATOM 745 OD1 ASN A 51 -11.748 -0.715 3.610 1.00 0.00 O ATOM 746 ND2 ASN A 51 -12.772 1.240 4.024 1.00 0.00 N ATOM 0 H ASN A 51 -13.683 -2.755 1.974 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.229 -0.683 1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.904 0.052 3.518 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.249 -1.569 3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.907 1.679 4.339 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -13.641 1.774 4.018 1.00 0.00 H new ATOM 753 N GLY A 52 -12.095 0.374 1.138 1.00 0.00 N ATOM 754 CA GLY A 52 -11.265 1.401 0.536 1.00 0.00 C ATOM 755 C GLY A 52 -9.884 1.469 1.158 1.00 0.00 C ATOM 756 O GLY A 52 -8.877 1.375 0.457 1.00 0.00 O ATOM 0 H GLY A 52 -11.586 -0.328 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.170 1.207 -0.532 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.756 2.369 0.642 1.00 0.00 H new ATOM 760 N GLN A 53 -9.838 1.634 2.476 1.00 0.00 N ATOM 761 CA GLN A 53 -8.570 1.717 3.191 1.00 0.00 C ATOM 762 C GLN A 53 -7.889 0.354 3.251 1.00 0.00 C ATOM 763 O GLN A 53 -8.502 -0.640 3.641 1.00 0.00 O ATOM 764 CB GLN A 53 -8.792 2.252 4.606 1.00 0.00 C ATOM 765 CG GLN A 53 -8.898 3.767 4.674 1.00 0.00 C ATOM 766 CD GLN A 53 -10.323 4.260 4.516 1.00 0.00 C ATOM 767 OE1 GLN A 53 -11.131 4.165 5.439 1.00 0.00 O ATOM 768 NE2 GLN A 53 -10.638 4.791 3.340 1.00 0.00 N ATOM 0 H GLN A 53 -10.663 1.713 3.070 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.920 2.404 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.704 1.814 5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.970 1.925 5.242 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.502 4.113 5.629 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.277 4.206 3.893 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.936 4.850 2.602 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.582 5.140 3.174 1.00 0.00 H new ATOM 777 N TRP A 54 -6.620 0.314 2.862 1.00 0.00 N ATOM 778 CA TRP A 54 -5.856 -0.928 2.871 1.00 0.00 C ATOM 779 C TRP A 54 -4.822 -0.923 3.992 1.00 0.00 C ATOM 780 O TRP A 54 -4.641 0.084 4.676 1.00 0.00 O ATOM 781 CB TRP A 54 -5.163 -1.135 1.523 1.00 0.00 C ATOM 782 CG TRP A 54 -6.001 -0.715 0.354 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.351 -0.870 0.216 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.545 -0.073 -0.841 1.00 0.00 C ATOM 785 NE1 TRP A 54 -7.761 -0.362 -0.994 1.00 0.00 N ATOM 786 CE2 TRP A 54 -6.672 0.133 -1.660 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.294 0.350 -1.298 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -6.583 0.742 -2.909 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.207 0.954 -2.538 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.345 1.146 -3.332 1.00 0.00 C ATOM 0 H TRP A 54 -6.098 1.128 2.536 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.550 -1.750 3.045 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.229 -0.573 1.512 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.902 -2.188 1.414 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.001 -1.325 0.949 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -8.721 -0.355 -1.339 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.411 0.207 -0.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.459 0.890 -3.522 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.245 1.284 -2.901 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.244 1.622 -4.296 1.00 0.00 H new ATOM 801 N GLU A 55 -4.147 -2.054 4.174 1.00 0.00 N ATOM 802 CA GLU A 55 -3.132 -2.178 5.214 1.00 0.00 C ATOM 803 C GLU A 55 -1.766 -2.485 4.606 1.00 0.00 C ATOM 804 O GLU A 55 -1.501 -3.610 4.186 1.00 0.00 O ATOM 805 CB GLU A 55 -3.519 -3.274 6.208 1.00 0.00 C ATOM 806 CG GLU A 55 -2.880 -3.109 7.576 1.00 0.00 C ATOM 807 CD GLU A 55 -3.071 -4.326 8.460 1.00 0.00 C ATOM 808 OE1 GLU A 55 -4.185 -4.890 8.462 1.00 0.00 O ATOM 809 OE2 GLU A 55 -2.105 -4.714 9.150 1.00 0.00 O ATOM 0 H GLU A 55 -4.284 -2.896 3.616 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.070 -1.226 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.603 -3.283 6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.233 -4.242 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.814 -2.917 7.454 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.307 -2.236 8.069 1.00 0.00 H new ATOM 816 N GLY A 56 -0.902 -1.475 4.564 1.00 0.00 N ATOM 817 CA GLY A 56 0.425 -1.657 4.006 1.00 0.00 C ATOM 818 C GLY A 56 1.513 -1.117 4.912 1.00 0.00 C ATOM 819 O GLY A 56 1.287 -0.174 5.670 1.00 0.00 O ATOM 0 H GLY A 56 -1.098 -0.534 4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.598 -2.718 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.481 -1.158 3.039 1.00 0.00 H new ATOM 823 N GLU A 57 2.697 -1.716 4.835 1.00 0.00 N ATOM 824 CA GLU A 57 3.824 -1.290 5.657 1.00 0.00 C ATOM 825 C GLU A 57 4.853 -0.536 4.820 1.00 0.00 C ATOM 826 O GLU A 57 5.359 -1.052 3.824 1.00 0.00 O ATOM 827 CB GLU A 57 4.481 -2.499 6.326 1.00 0.00 C ATOM 828 CG GLU A 57 5.137 -2.175 7.658 1.00 0.00 C ATOM 829 CD GLU A 57 6.263 -3.131 8.002 1.00 0.00 C ATOM 830 OE1 GLU A 57 6.016 -4.354 8.030 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.393 -2.654 8.242 1.00 0.00 O ATOM 0 H GLU A 57 2.901 -2.498 4.212 1.00 0.00 H new ATOM 0 HA GLU A 57 3.446 -0.618 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.728 -3.272 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.231 -2.914 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.526 -1.157 7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.385 -2.207 8.446 1.00 0.00 H new ATOM 838 N VAL A 58 5.159 0.691 5.233 1.00 0.00 N ATOM 839 CA VAL A 58 6.128 1.517 4.523 1.00 0.00 C ATOM 840 C VAL A 58 7.068 2.220 5.496 1.00 0.00 C ATOM 841 O VAL A 58 6.663 2.616 6.588 1.00 0.00 O ATOM 842 CB VAL A 58 5.429 2.574 3.647 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.451 3.357 2.837 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.405 1.916 2.734 1.00 0.00 C ATOM 0 H VAL A 58 4.750 1.134 6.055 1.00 0.00 H new ATOM 0 HA VAL A 58 6.705 0.849 3.883 1.00 0.00 H new ATOM 0 HB VAL A 58 4.905 3.273 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.939 4.099 2.224 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.143 3.860 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.005 2.674 2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.921 2.677 2.122 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.904 1.194 2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.655 1.404 3.337 1.00 0.00 H new ATOM 854 N ASN A 59 8.324 2.371 5.091 1.00 0.00 N ATOM 855 CA ASN A 59 9.323 3.027 5.927 1.00 0.00 C ATOM 856 C ASN A 59 9.225 2.545 7.371 1.00 0.00 C ATOM 857 O ASN A 59 9.476 3.302 8.308 1.00 0.00 O ATOM 858 CB ASN A 59 9.147 4.546 5.872 1.00 0.00 C ATOM 859 CG ASN A 59 7.824 4.997 6.458 1.00 0.00 C ATOM 860 OD1 ASN A 59 7.675 5.102 7.676 1.00 0.00 O ATOM 861 ND2 ASN A 59 6.854 5.265 5.592 1.00 0.00 N ATOM 0 H ASN A 59 8.675 2.048 4.189 1.00 0.00 H new ATOM 0 HA ASN A 59 10.309 2.768 5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.963 5.023 6.415 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.215 4.879 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.941 5.572 5.928 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.022 5.164 4.591 1.00 0.00 H new ATOM 868 N GLY A 60 8.858 1.279 7.543 1.00 0.00 N ATOM 869 CA GLY A 60 8.733 0.717 8.876 1.00 0.00 C ATOM 870 C GLY A 60 7.513 1.235 9.611 1.00 0.00 C ATOM 871 O GLY A 60 7.541 1.406 10.830 1.00 0.00 O ATOM 0 H GLY A 60 8.645 0.632 6.784 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.677 -0.369 8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.628 0.953 9.452 1.00 0.00 H new ATOM 875 N ARG A 61 6.439 1.486 8.870 1.00 0.00 N ATOM 876 CA ARG A 61 5.205 1.990 9.459 1.00 0.00 C ATOM 877 C ARG A 61 3.988 1.482 8.690 1.00 0.00 C ATOM 878 O ARG A 61 3.840 1.745 7.496 1.00 0.00 O ATOM 879 CB ARG A 61 5.209 3.520 9.474 1.00 0.00 C ATOM 880 CG ARG A 61 6.329 4.117 10.310 1.00 0.00 C ATOM 881 CD ARG A 61 6.365 5.633 10.192 1.00 0.00 C ATOM 882 NE ARG A 61 5.502 6.279 11.177 1.00 0.00 N ATOM 883 CZ ARG A 61 4.200 6.475 10.998 1.00 0.00 C ATOM 884 NH1 ARG A 61 3.615 6.076 9.877 1.00 0.00 N ATOM 885 NH2 ARG A 61 3.481 7.070 11.941 1.00 0.00 N ATOM 0 H ARG A 61 6.399 1.348 7.860 1.00 0.00 H new ATOM 0 HA ARG A 61 5.145 1.623 10.484 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.297 3.885 8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.252 3.874 9.858 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.195 3.835 11.354 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.285 3.703 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.389 5.983 10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.054 5.926 9.189 1.00 0.00 H new ATOM 0 HE ARG A 61 5.922 6.597 12.050 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.165 5.618 9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.615 6.227 9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.928 7.378 12.805 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.482 7.220 11.802 1.00 0.00 H new ATOM 899 N LYS A 62 3.120 0.753 9.382 1.00 0.00 N ATOM 900 CA LYS A 62 1.915 0.208 8.767 1.00 0.00 C ATOM 901 C LYS A 62 0.682 1.001 9.188 1.00 0.00 C ATOM 902 O LYS A 62 0.399 1.142 10.376 1.00 0.00 O ATOM 903 CB LYS A 62 1.743 -1.264 9.150 1.00 0.00 C ATOM 904 CG LYS A 62 2.065 -1.555 10.605 1.00 0.00 C ATOM 905 CD LYS A 62 1.878 -3.027 10.934 1.00 0.00 C ATOM 906 CE LYS A 62 2.602 -3.408 12.216 1.00 0.00 C ATOM 907 NZ LYS A 62 1.783 -3.113 13.424 1.00 0.00 N ATOM 0 H LYS A 62 3.228 0.525 10.370 1.00 0.00 H new ATOM 0 HA LYS A 62 2.023 0.286 7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.716 -1.566 8.946 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.386 -1.874 8.515 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.093 -1.262 10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.423 -0.953 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.815 -3.246 11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.251 -3.635 10.110 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.846 -4.470 12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.545 -2.865 12.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.311 -3.387 14.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.571 -2.095 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.894 -3.650 13.380 1.00 0.00 H new ATOM 921 N GLY A 63 -0.049 1.517 8.204 1.00 0.00 N ATOM 922 CA GLY A 63 -1.243 2.288 8.493 1.00 0.00 C ATOM 923 C GLY A 63 -2.246 2.253 7.356 1.00 0.00 C ATOM 924 O GLY A 63 -1.945 1.759 6.269 1.00 0.00 O ATOM 0 H GLY A 63 0.165 1.414 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.711 1.901 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.964 3.322 8.695 1.00 0.00 H new ATOM 928 N LEU A 64 -3.441 2.776 7.607 1.00 0.00 N ATOM 929 CA LEU A 64 -4.492 2.801 6.597 1.00 0.00 C ATOM 930 C LEU A 64 -4.333 4.005 5.674 1.00 0.00 C ATOM 931 O LEU A 64 -4.414 5.152 6.114 1.00 0.00 O ATOM 932 CB LEU A 64 -5.868 2.834 7.265 1.00 0.00 C ATOM 933 CG LEU A 64 -6.322 1.535 7.931 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.768 1.647 8.390 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.154 0.360 6.979 1.00 0.00 C ATOM 0 H LEU A 64 -3.706 3.188 8.501 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.407 1.894 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.866 3.623 8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.608 3.112 6.514 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.696 1.361 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.073 0.713 8.862 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.860 2.463 9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.408 1.846 7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.482 -0.556 7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.754 0.527 6.085 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.105 0.266 6.699 1.00 0.00 H new ATOM 947 N PHE A 65 -4.109 3.736 4.392 1.00 0.00 N ATOM 948 CA PHE A 65 -3.939 4.798 3.407 1.00 0.00 C ATOM 949 C PHE A 65 -4.996 4.696 2.311 1.00 0.00 C ATOM 950 O PHE A 65 -5.395 3.607 1.897 1.00 0.00 O ATOM 951 CB PHE A 65 -2.540 4.732 2.791 1.00 0.00 C ATOM 952 CG PHE A 65 -2.228 3.409 2.153 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.790 2.341 2.920 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.371 3.232 0.786 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.501 1.122 2.337 1.00 0.00 C ATOM 956 CE2 PHE A 65 -2.085 2.015 0.197 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.648 0.959 0.973 1.00 0.00 C ATOM 0 H PHE A 65 -4.041 2.792 4.011 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.059 5.755 3.915 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.444 5.519 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.801 4.936 3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.673 2.463 3.987 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.710 4.055 0.174 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.161 0.298 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.203 1.890 -0.869 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.422 0.008 0.514 1.00 0.00 H new ATOM 967 N PRO A 66 -5.461 5.857 1.828 1.00 0.00 N ATOM 968 CA PRO A 66 -6.477 5.926 0.774 1.00 0.00 C ATOM 969 C PRO A 66 -5.942 5.466 -0.578 1.00 0.00 C ATOM 970 O PRO A 66 -4.742 5.545 -0.841 1.00 0.00 O ATOM 971 CB PRO A 66 -6.840 7.413 0.727 1.00 0.00 C ATOM 972 CG PRO A 66 -5.633 8.114 1.249 1.00 0.00 C ATOM 973 CD PRO A 66 -5.030 7.193 2.274 1.00 0.00 C ATOM 0 HA PRO A 66 -7.324 5.273 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -7.074 7.731 -0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.717 7.626 1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.925 8.322 0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.900 9.072 1.695 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.944 7.277 2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.391 7.417 3.278 1.00 0.00 H new ATOM 981 N PHE A 67 -6.839 4.986 -1.432 1.00 0.00 N ATOM 982 CA PHE A 67 -6.457 4.513 -2.758 1.00 0.00 C ATOM 983 C PHE A 67 -6.221 5.684 -3.706 1.00 0.00 C ATOM 984 O PHE A 67 -5.445 5.583 -4.657 1.00 0.00 O ATOM 985 CB PHE A 67 -7.539 3.592 -3.325 1.00 0.00 C ATOM 986 CG PHE A 67 -8.836 4.293 -3.606 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.787 4.446 -2.610 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.106 4.799 -4.868 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.982 5.092 -2.865 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.300 5.446 -5.129 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.239 5.591 -4.127 1.00 0.00 C ATOM 0 H PHE A 67 -7.836 4.914 -1.230 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.527 3.953 -2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.173 3.139 -4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.719 2.780 -2.621 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -9.592 4.056 -1.622 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.376 4.687 -5.656 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.714 5.206 -2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.498 5.838 -6.116 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.173 6.094 -4.330 1.00 0.00 H new ATOM 1001 N THR A 68 -6.898 6.798 -3.442 1.00 0.00 N ATOM 1002 CA THR A 68 -6.765 7.988 -4.272 1.00 0.00 C ATOM 1003 C THR A 68 -5.389 8.622 -4.107 1.00 0.00 C ATOM 1004 O THR A 68 -4.941 9.389 -4.960 1.00 0.00 O ATOM 1005 CB THR A 68 -7.844 9.034 -3.932 1.00 0.00 C ATOM 1006 OG1 THR A 68 -7.845 9.296 -2.524 1.00 0.00 O ATOM 1007 CG2 THR A 68 -9.220 8.552 -4.364 1.00 0.00 C ATOM 0 H THR A 68 -7.544 6.900 -2.659 1.00 0.00 H new ATOM 0 HA THR A 68 -6.893 7.668 -5.306 1.00 0.00 H new ATOM 0 HB THR A 68 -7.612 9.952 -4.472 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.532 9.963 -2.316 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.965 9.307 -4.114 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.224 8.381 -5.440 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.458 7.622 -3.848 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.721 8.297 -3.005 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.393 8.835 -2.729 1.00 0.00 C ATOM 1017 C HIS A 69 -2.334 8.121 -3.563 1.00 0.00 C ATOM 1018 O HIS A 69 -1.473 8.758 -4.170 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.064 8.700 -1.242 1.00 0.00 C ATOM 1020 CG HIS A 69 -1.595 8.653 -0.956 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -0.726 9.664 -1.309 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -0.842 7.709 -0.344 1.00 0.00 C ATOM 1023 CE1 HIS A 69 0.498 9.342 -0.929 1.00 0.00 C ATOM 1024 NE2 HIS A 69 0.455 8.161 -0.340 1.00 0.00 N ATOM 0 H HIS A 69 -5.077 7.664 -2.289 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.392 9.891 -2.999 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.504 9.539 -0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.530 7.794 -0.856 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -0.987 10.526 -1.788 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -1.195 6.774 0.065 1.00 0.00 H new ATOM 0 HE1 HIS A 69 1.383 9.943 -1.075 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.403 6.794 -3.589 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.450 5.993 -4.348 1.00 0.00 C ATOM 1035 C VAL A 70 -2.089 5.432 -5.614 1.00 0.00 C ATOM 1036 O VAL A 70 -3.150 4.809 -5.564 1.00 0.00 O ATOM 1037 CB VAL A 70 -0.898 4.828 -3.506 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.198 5.353 -2.262 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.016 3.865 -3.133 1.00 0.00 C ATOM 0 H VAL A 70 -3.109 6.251 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.628 6.655 -4.621 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.166 4.285 -4.103 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.186 4.515 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.629 6.000 -2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.906 5.921 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.609 3.048 -2.538 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.773 4.393 -2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.468 3.463 -4.040 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.437 5.658 -6.749 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.940 5.175 -8.030 1.00 0.00 C ATOM 1051 C LYS A 71 -1.262 3.865 -8.421 1.00 0.00 C ATOM 1052 O LYS A 71 -0.038 3.747 -8.362 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.711 6.225 -9.120 1.00 0.00 C ATOM 1054 CG LYS A 71 -2.648 6.083 -10.307 1.00 0.00 C ATOM 1055 CD LYS A 71 -2.770 7.386 -11.079 1.00 0.00 C ATOM 1056 CE LYS A 71 -1.593 7.588 -12.021 1.00 0.00 C ATOM 1057 NZ LYS A 71 -1.936 8.495 -13.151 1.00 0.00 N ATOM 0 H LYS A 71 -0.558 6.173 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.010 4.994 -7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.834 7.218 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.681 6.155 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.281 5.299 -10.970 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.633 5.771 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.699 7.386 -11.650 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.825 8.221 -10.380 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.751 8.002 -11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.273 6.623 -12.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.108 8.607 -13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.723 8.088 -13.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.217 9.424 -12.777 1.00 0.00 H new ATOM 1071 N ILE A 72 -2.066 2.885 -8.820 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.543 1.586 -9.223 1.00 0.00 C ATOM 1073 C ILE A 72 -0.687 1.703 -10.479 1.00 0.00 C ATOM 1074 O ILE A 72 -1.173 2.095 -11.540 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.678 0.577 -9.481 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.625 0.524 -8.280 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -2.106 -0.802 -9.773 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -3.113 -0.336 -7.145 1.00 0.00 C ATOM 0 H ILE A 72 -3.081 2.966 -8.873 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.927 1.225 -8.399 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.244 0.905 -10.353 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.790 1.537 -7.912 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.592 0.142 -8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.921 -1.503 -9.953 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.469 -0.752 -10.656 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.518 -1.140 -8.920 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.834 -0.328 -6.328 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.975 -1.358 -7.497 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.160 0.058 -6.792 1.00 0.00 H new ATOM 1090 N PHE A 73 0.590 1.358 -10.353 1.00 0.00 N ATOM 1091 CA PHE A 73 1.515 1.424 -11.479 1.00 0.00 C ATOM 1092 C PHE A 73 2.176 0.070 -11.719 1.00 0.00 C ATOM 1093 O PHE A 73 1.854 -0.917 -11.056 1.00 0.00 O ATOM 1094 CB PHE A 73 2.584 2.489 -11.227 1.00 0.00 C ATOM 1095 CG PHE A 73 3.802 1.961 -10.525 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.773 1.690 -9.167 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.977 1.736 -11.224 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.893 1.204 -8.518 1.00 0.00 C ATOM 1099 CE2 PHE A 73 6.100 1.249 -10.581 1.00 0.00 C ATOM 1100 CZ PHE A 73 6.058 0.984 -9.226 1.00 0.00 C ATOM 0 H PHE A 73 1.008 1.030 -9.482 1.00 0.00 H new ATOM 0 HA PHE A 73 0.946 1.694 -12.369 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.884 2.924 -12.180 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.151 3.293 -10.632 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.865 1.860 -8.608 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.016 1.943 -12.283 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.857 0.997 -7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.009 1.076 -11.138 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.935 0.605 -8.721 1.00 0.00 H new ATOM 1110 N ASP A 74 3.102 0.031 -12.670 1.00 0.00 N ATOM 1111 CA ASP A 74 3.810 -1.201 -12.999 1.00 0.00 C ATOM 1112 C ASP A 74 5.223 -1.185 -12.424 1.00 0.00 C ATOM 1113 O ASP A 74 6.161 -0.667 -13.031 1.00 0.00 O ATOM 1114 CB ASP A 74 3.865 -1.394 -14.515 1.00 0.00 C ATOM 1115 CG ASP A 74 2.578 -1.971 -15.072 1.00 0.00 C ATOM 1116 OD1 ASP A 74 1.505 -1.690 -14.498 1.00 0.00 O ATOM 1117 OD2 ASP A 74 2.644 -2.705 -16.080 1.00 0.00 O ATOM 0 H ASP A 74 3.380 0.839 -13.227 1.00 0.00 H new ATOM 0 HA ASP A 74 3.265 -2.034 -12.555 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.067 -0.436 -14.993 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.694 -2.056 -14.764 1.00 0.00 H new ATOM 1122 N PRO A 75 5.381 -1.765 -11.225 1.00 0.00 N ATOM 1123 CA PRO A 75 6.677 -1.830 -10.542 1.00 0.00 C ATOM 1124 C PRO A 75 7.652 -2.774 -11.237 1.00 0.00 C ATOM 1125 O PRO A 75 8.770 -2.982 -10.766 1.00 0.00 O ATOM 1126 CB PRO A 75 6.318 -2.359 -9.151 1.00 0.00 C ATOM 1127 CG PRO A 75 5.051 -3.117 -9.350 1.00 0.00 C ATOM 1128 CD PRO A 75 4.308 -2.402 -10.444 1.00 0.00 C ATOM 0 HA PRO A 75 7.180 -0.863 -10.528 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.106 -3.001 -8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.184 -1.544 -8.440 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.255 -4.151 -9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 75 4.464 -3.143 -8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.725 -3.094 -11.052 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.612 -1.666 -10.042 1.00 0.00 H new ATOM 1136 N GLN A 76 7.221 -3.342 -12.358 1.00 0.00 N ATOM 1137 CA GLN A 76 8.057 -4.265 -13.117 1.00 0.00 C ATOM 1138 C GLN A 76 9.078 -3.507 -13.960 1.00 0.00 C ATOM 1139 O GLN A 76 9.250 -3.789 -15.145 1.00 0.00 O ATOM 1140 CB GLN A 76 7.191 -5.149 -14.016 1.00 0.00 C ATOM 1141 CG GLN A 76 6.563 -4.402 -15.181 1.00 0.00 C ATOM 1142 CD GLN A 76 5.279 -5.047 -15.664 1.00 0.00 C ATOM 1143 OE1 GLN A 76 4.974 -6.187 -15.314 1.00 0.00 O ATOM 1144 NE2 GLN A 76 4.519 -4.319 -16.474 1.00 0.00 N ATOM 0 H GLN A 76 6.298 -3.180 -12.761 1.00 0.00 H new ATOM 0 HA GLN A 76 8.594 -4.896 -12.409 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.800 -5.965 -14.405 1.00 0.00 H new ATOM 0 HB3 GLN A 76 6.401 -5.599 -13.416 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.358 -3.374 -14.881 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.275 -4.357 -16.005 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.811 -3.378 -16.738 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.643 -4.701 -16.832 1.00 0.00 H new ATOM 1153 N ASN A 77 9.752 -2.545 -13.339 1.00 0.00 N ATOM 1154 CA ASN A 77 10.755 -1.745 -14.033 1.00 0.00 C ATOM 1155 C ASN A 77 12.164 -2.214 -13.679 1.00 0.00 C ATOM 1156 O ASN A 77 12.508 -2.400 -12.512 1.00 0.00 O ATOM 1157 CB ASN A 77 10.594 -0.266 -13.678 1.00 0.00 C ATOM 1158 CG ASN A 77 9.655 0.457 -14.625 1.00 0.00 C ATOM 1159 OD1 ASN A 77 9.203 -0.109 -15.621 1.00 0.00 O ATOM 1160 ND2 ASN A 77 9.357 1.714 -14.318 1.00 0.00 N ATOM 0 H ASN A 77 9.622 -2.300 -12.357 1.00 0.00 H new ATOM 0 HA ASN A 77 10.607 -1.872 -15.105 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.216 -0.179 -12.659 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.570 0.218 -13.699 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.730 2.251 -14.918 1.00 0.00 H new ATOM 0 HD22 ASN A 77 9.755 2.143 -13.482 1.00 0.00 H new ATOM 1167 N PRO A 78 12.999 -2.409 -14.711 1.00 0.00 N ATOM 1168 CA PRO A 78 14.383 -2.857 -14.534 1.00 0.00 C ATOM 1169 C PRO A 78 15.263 -1.786 -13.898 1.00 0.00 C ATOM 1170 O PRO A 78 16.461 -1.988 -13.704 1.00 0.00 O ATOM 1171 CB PRO A 78 14.847 -3.150 -15.963 1.00 0.00 C ATOM 1172 CG PRO A 78 13.987 -2.290 -16.824 1.00 0.00 C ATOM 1173 CD PRO A 78 12.656 -2.207 -16.128 1.00 0.00 C ATOM 0 HA PRO A 78 14.451 -3.715 -13.865 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.902 -2.911 -16.093 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.726 -4.205 -16.210 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.425 -1.300 -16.948 1.00 0.00 H new ATOM 0 HG3 PRO A 78 13.880 -2.718 -17.821 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.176 -1.242 -16.292 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.966 -2.971 -16.487 1.00 0.00 H new ATOM 1181 N ASP A 79 14.660 -0.647 -13.575 1.00 0.00 N ATOM 1182 CA ASP A 79 15.388 0.456 -12.959 1.00 0.00 C ATOM 1183 C ASP A 79 15.000 0.611 -11.492 1.00 0.00 C ATOM 1184 O ASP A 79 15.843 0.499 -10.603 1.00 0.00 O ATOM 1185 CB ASP A 79 15.115 1.759 -13.712 1.00 0.00 C ATOM 1186 CG ASP A 79 16.225 2.775 -13.532 1.00 0.00 C ATOM 1187 OD1 ASP A 79 16.795 2.841 -12.423 1.00 0.00 O ATOM 1188 OD2 ASP A 79 16.525 3.505 -14.501 1.00 0.00 O ATOM 0 H ASP A 79 13.669 -0.464 -13.730 1.00 0.00 H new ATOM 0 HA ASP A 79 16.453 0.231 -13.013 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.993 1.543 -14.773 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.175 2.187 -13.363 1.00 0.00 H new ATOM 1193 N GLU A 80 13.719 0.870 -11.248 1.00 0.00 N ATOM 1194 CA GLU A 80 13.222 1.042 -9.888 1.00 0.00 C ATOM 1195 C GLU A 80 12.961 -0.309 -9.229 1.00 0.00 C ATOM 1196 O GLU A 80 11.860 -0.850 -9.311 1.00 0.00 O ATOM 1197 CB GLU A 80 11.938 1.876 -9.893 1.00 0.00 C ATOM 1198 CG GLU A 80 11.712 2.653 -8.607 1.00 0.00 C ATOM 1199 CD GLU A 80 10.964 1.848 -7.562 1.00 0.00 C ATOM 1200 OE1 GLU A 80 9.715 1.847 -7.596 1.00 0.00 O ATOM 1201 OE2 GLU A 80 11.627 1.219 -6.711 1.00 0.00 O ATOM 0 H GLU A 80 13.008 0.965 -11.973 1.00 0.00 H new ATOM 0 HA GLU A 80 13.985 1.566 -9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.972 2.575 -10.729 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.087 1.217 -10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.675 2.963 -8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 80 11.152 3.561 -8.830 1.00 0.00 H new ATOM 1208 N ASN A 81 13.985 -0.848 -8.574 1.00 0.00 N ATOM 1209 CA ASN A 81 13.868 -2.137 -7.901 1.00 0.00 C ATOM 1210 C ASN A 81 13.657 -3.261 -8.911 1.00 0.00 C ATOM 1211 O ASN A 81 12.704 -4.032 -8.805 1.00 0.00 O ATOM 1212 CB ASN A 81 12.710 -2.110 -6.901 1.00 0.00 C ATOM 1213 CG ASN A 81 12.878 -3.135 -5.796 1.00 0.00 C ATOM 1214 OD1 ASN A 81 13.986 -3.368 -5.313 1.00 0.00 O ATOM 1215 ND2 ASN A 81 11.774 -3.752 -5.389 1.00 0.00 N ATOM 0 H ASN A 81 14.904 -0.413 -8.495 1.00 0.00 H new ATOM 0 HA ASN A 81 14.798 -2.325 -7.365 1.00 0.00 H new ATOM 0 HB2 ASN A 81 12.635 -1.115 -6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 81 11.774 -2.297 -7.427 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.824 -4.451 -4.647 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.876 -3.527 -5.818 1.00 0.00 H new ATOM 1222 N GLU A 82 14.553 -3.346 -9.890 1.00 0.00 N ATOM 1223 CA GLU A 82 14.464 -4.375 -10.918 1.00 0.00 C ATOM 1224 C GLU A 82 14.022 -5.707 -10.318 1.00 0.00 C ATOM 1225 O GLU A 82 14.374 -6.037 -9.186 1.00 0.00 O ATOM 1226 CB GLU A 82 15.812 -4.543 -11.622 1.00 0.00 C ATOM 1227 CG GLU A 82 16.920 -5.033 -10.705 1.00 0.00 C ATOM 1228 CD GLU A 82 18.037 -5.728 -11.460 1.00 0.00 C ATOM 1229 OE1 GLU A 82 17.846 -6.895 -11.861 1.00 0.00 O ATOM 1230 OE2 GLU A 82 19.102 -5.103 -11.650 1.00 0.00 O ATOM 0 H GLU A 82 15.348 -2.715 -9.992 1.00 0.00 H new ATOM 0 HA GLU A 82 13.718 -4.059 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.697 -5.246 -12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 82 16.107 -3.588 -12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.331 -4.187 -10.153 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.501 -5.720 -9.970 1.00 0.00 H new ATOM 1237 N SER A 83 13.249 -6.468 -11.087 1.00 0.00 N ATOM 1238 CA SER A 83 12.755 -7.762 -10.630 1.00 0.00 C ATOM 1239 C SER A 83 12.846 -8.801 -11.744 1.00 0.00 C ATOM 1240 O SER A 83 12.185 -8.682 -12.775 1.00 0.00 O ATOM 1241 CB SER A 83 11.308 -7.639 -10.149 1.00 0.00 C ATOM 1242 OG SER A 83 11.177 -6.605 -9.188 1.00 0.00 O ATOM 0 H SER A 83 12.952 -6.211 -12.028 1.00 0.00 H new ATOM 0 HA SER A 83 13.380 -8.089 -9.799 1.00 0.00 H new ATOM 0 HB2 SER A 83 10.655 -7.436 -10.998 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.983 -8.585 -9.716 1.00 0.00 H new ATOM 0 HG SER A 83 10.243 -6.545 -8.897 1.00 0.00 H new ATOM 1248 N GLY A 84 13.670 -9.822 -11.526 1.00 0.00 N ATOM 1249 CA GLY A 84 13.833 -10.868 -12.519 1.00 0.00 C ATOM 1250 C GLY A 84 12.846 -12.004 -12.332 1.00 0.00 C ATOM 1251 O GLY A 84 11.725 -11.971 -12.840 1.00 0.00 O ATOM 0 H GLY A 84 14.227 -9.943 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.708 -10.442 -13.515 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.848 -11.261 -12.465 1.00 0.00 H new ATOM 1255 N PRO A 85 13.264 -13.039 -11.588 1.00 0.00 N ATOM 1256 CA PRO A 85 12.425 -14.210 -11.319 1.00 0.00 C ATOM 1257 C PRO A 85 11.259 -13.887 -10.391 1.00 0.00 C ATOM 1258 O PRO A 85 11.365 -14.027 -9.172 1.00 0.00 O ATOM 1259 CB PRO A 85 13.389 -15.190 -10.645 1.00 0.00 C ATOM 1260 CG PRO A 85 14.440 -14.328 -10.035 1.00 0.00 C ATOM 1261 CD PRO A 85 14.588 -13.145 -10.951 1.00 0.00 C ATOM 0 HA PRO A 85 11.966 -14.599 -12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 85 12.881 -15.789 -9.890 1.00 0.00 H new ATOM 0 HB3 PRO A 85 13.817 -15.885 -11.368 1.00 0.00 H new ATOM 0 HG2 PRO A 85 14.152 -14.012 -9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 85 15.382 -14.869 -9.940 1.00 0.00 H new ATOM 0 HD2 PRO A 85 14.843 -12.240 -10.400 1.00 0.00 H new ATOM 0 HD3 PRO A 85 15.377 -13.303 -11.687 1.00 0.00 H new ATOM 1269 N SER A 86 10.146 -13.454 -10.975 1.00 0.00 N ATOM 1270 CA SER A 86 8.961 -13.108 -10.199 1.00 0.00 C ATOM 1271 C SER A 86 8.723 -14.125 -9.087 1.00 0.00 C ATOM 1272 O SER A 86 8.843 -15.332 -9.299 1.00 0.00 O ATOM 1273 CB SER A 86 7.733 -13.034 -11.110 1.00 0.00 C ATOM 1274 OG SER A 86 6.537 -12.998 -10.351 1.00 0.00 O ATOM 0 H SER A 86 10.040 -13.335 -11.982 1.00 0.00 H new ATOM 0 HA SER A 86 9.127 -12.131 -9.744 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.795 -12.146 -11.739 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.718 -13.896 -11.777 1.00 0.00 H new ATOM 0 HG SER A 86 5.767 -12.949 -10.956 1.00 0.00 H new ATOM 1280 N SER A 87 8.384 -13.628 -7.902 1.00 0.00 N ATOM 1281 CA SER A 87 8.132 -14.492 -6.755 1.00 0.00 C ATOM 1282 C SER A 87 6.797 -14.151 -6.100 1.00 0.00 C ATOM 1283 O SER A 87 6.546 -13.002 -5.738 1.00 0.00 O ATOM 1284 CB SER A 87 9.263 -14.361 -5.733 1.00 0.00 C ATOM 1285 OG SER A 87 10.442 -14.998 -6.193 1.00 0.00 O ATOM 0 H SER A 87 8.278 -12.632 -7.711 1.00 0.00 H new ATOM 0 HA SER A 87 8.090 -15.522 -7.110 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.466 -13.307 -5.543 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.954 -14.802 -4.785 1.00 0.00 H new ATOM 0 HG SER A 87 10.674 -14.655 -7.081 1.00 0.00 H new ATOM 1291 N GLY A 88 5.943 -15.159 -5.950 1.00 0.00 N ATOM 1292 CA GLY A 88 4.644 -14.946 -5.339 1.00 0.00 C ATOM 1293 C GLY A 88 4.748 -14.521 -3.888 1.00 0.00 C ATOM 1294 O GLY A 88 3.999 -13.657 -3.432 1.00 0.00 O ATOM 0 H GLY A 88 6.128 -16.119 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 88 4.103 -14.184 -5.900 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.060 -15.864 -5.404 1.00 0.00 H new TER 1298 GLY A 88