USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 703 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -16:sc= 0.596 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.953 K(o=-0.95,f=-2) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -3.94 X(o=-3.9,f=-4.3) USER MOD Single : A 29 ASN : amide:sc= -1.32 K(o=-1.3,f=-1.9) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.596) USER MOD Single : A 41 SER OG : rot 79:sc= 0.03 USER MOD Single : A 43 MET CE :methyl 169:sc= -0.195 (180deg=-0.554) USER MOD Single : A 46 CYS SG : rot -144:sc= -0.722 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.599 F(o=-2.2!,f=-0.6) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 86 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.135) USER MOD Single : A 87 GLN : amide:sc= -0.535 K(o=-0.54,f=-1.5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.017 -9.199 22.629 1.00 0.00 N ATOM 2 CA GLY A 1 -21.580 -8.015 21.913 1.00 0.00 C ATOM 3 C GLY A 1 -21.090 -6.923 22.843 1.00 0.00 C ATOM 4 O GLY A 1 -21.731 -6.621 23.850 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.342 -9.916 21.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.224 -9.582 23.183 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.798 -8.949 23.269 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.781 -8.286 21.223 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.405 -7.633 21.312 1.00 0.00 H new ATOM 8 N SER A 2 -19.950 -6.330 22.507 1.00 0.00 N ATOM 9 CA SER A 2 -19.370 -5.268 23.322 1.00 0.00 C ATOM 10 C SER A 2 -18.735 -4.194 22.445 1.00 0.00 C ATOM 11 O SER A 2 -18.486 -4.412 21.259 1.00 0.00 O ATOM 12 CB SER A 2 -18.325 -5.845 24.280 1.00 0.00 C ATOM 13 OG SER A 2 -17.263 -6.455 23.568 1.00 0.00 O ATOM 0 H SER A 2 -19.409 -6.566 21.676 1.00 0.00 H new ATOM 0 HA SER A 2 -20.171 -4.810 23.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.932 -5.051 24.916 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.794 -6.577 24.937 1.00 0.00 H new ATOM 0 HG SER A 2 -16.608 -6.814 24.202 1.00 0.00 H new ATOM 19 N SER A 3 -18.474 -3.034 23.037 1.00 0.00 N ATOM 20 CA SER A 3 -17.871 -1.922 22.309 1.00 0.00 C ATOM 21 C SER A 3 -17.184 -0.954 23.268 1.00 0.00 C ATOM 22 O SER A 3 -17.355 -1.041 24.484 1.00 0.00 O ATOM 23 CB SER A 3 -18.933 -1.183 21.494 1.00 0.00 C ATOM 24 OG SER A 3 -19.570 -2.055 20.577 1.00 0.00 O ATOM 0 H SER A 3 -18.670 -2.838 24.019 1.00 0.00 H new ATOM 0 HA SER A 3 -17.121 -2.328 21.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.675 -0.751 22.165 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.471 -0.356 20.954 1.00 0.00 H new ATOM 0 HG SER A 3 -19.031 -2.866 20.469 1.00 0.00 H new ATOM 30 N GLY A 4 -16.406 -0.031 22.710 1.00 0.00 N ATOM 31 CA GLY A 4 -15.705 0.940 23.529 1.00 0.00 C ATOM 32 C GLY A 4 -14.505 1.537 22.820 1.00 0.00 C ATOM 33 O GLY A 4 -13.361 1.221 23.150 1.00 0.00 O ATOM 0 H GLY A 4 -16.249 0.061 21.706 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.392 1.738 23.809 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.377 0.463 24.453 1.00 0.00 H new ATOM 37 N SER A 5 -14.765 2.400 21.844 1.00 0.00 N ATOM 38 CA SER A 5 -13.696 3.037 21.083 1.00 0.00 C ATOM 39 C SER A 5 -13.799 4.558 21.171 1.00 0.00 C ATOM 40 O SER A 5 -14.895 5.113 21.237 1.00 0.00 O ATOM 41 CB SER A 5 -13.750 2.596 19.620 1.00 0.00 C ATOM 42 OG SER A 5 -12.463 2.633 19.028 1.00 0.00 O ATOM 0 H SER A 5 -15.706 2.674 21.561 1.00 0.00 H new ATOM 0 HA SER A 5 -12.743 2.728 21.513 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.154 1.586 19.556 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.427 3.246 19.066 1.00 0.00 H new ATOM 0 HG SER A 5 -12.524 2.345 18.093 1.00 0.00 H new ATOM 48 N SER A 6 -12.648 5.223 21.172 1.00 0.00 N ATOM 49 CA SER A 6 -12.606 6.678 21.256 1.00 0.00 C ATOM 50 C SER A 6 -11.714 7.260 20.164 1.00 0.00 C ATOM 51 O SER A 6 -10.897 6.555 19.574 1.00 0.00 O ATOM 52 CB SER A 6 -12.101 7.116 22.632 1.00 0.00 C ATOM 53 OG SER A 6 -10.750 6.731 22.825 1.00 0.00 O ATOM 0 H SER A 6 -11.732 4.777 21.116 1.00 0.00 H new ATOM 0 HA SER A 6 -13.618 7.055 21.112 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.192 8.198 22.729 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.723 6.673 23.409 1.00 0.00 H new ATOM 0 HG SER A 6 -10.450 7.024 23.711 1.00 0.00 H new ATOM 59 N GLY A 7 -11.878 8.553 19.901 1.00 0.00 N ATOM 60 CA GLY A 7 -11.081 9.209 18.881 1.00 0.00 C ATOM 61 C GLY A 7 -10.819 10.667 19.199 1.00 0.00 C ATOM 62 O GLY A 7 -11.312 11.559 18.509 1.00 0.00 O ATOM 0 H GLY A 7 -12.548 9.158 20.376 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.130 8.687 18.776 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.593 9.136 17.921 1.00 0.00 H new ATOM 66 N SER A 8 -10.039 10.911 20.249 1.00 0.00 N ATOM 67 CA SER A 8 -9.716 12.272 20.661 1.00 0.00 C ATOM 68 C SER A 8 -9.172 13.080 19.488 1.00 0.00 C ATOM 69 O SER A 8 -8.417 12.565 18.662 1.00 0.00 O ATOM 70 CB SER A 8 -8.695 12.253 21.799 1.00 0.00 C ATOM 71 OG SER A 8 -7.388 12.003 21.309 1.00 0.00 O ATOM 0 H SER A 8 -9.620 10.184 20.829 1.00 0.00 H new ATOM 0 HA SER A 8 -10.632 12.747 21.012 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.713 13.208 22.324 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.968 11.486 22.524 1.00 0.00 H new ATOM 0 HG SER A 8 -6.754 11.998 22.056 1.00 0.00 H new ATOM 77 N ILE A 9 -9.562 14.348 19.419 1.00 0.00 N ATOM 78 CA ILE A 9 -9.112 15.229 18.348 1.00 0.00 C ATOM 79 C ILE A 9 -7.768 15.864 18.686 1.00 0.00 C ATOM 80 O ILE A 9 -7.576 16.387 19.783 1.00 0.00 O ATOM 81 CB ILE A 9 -10.139 16.343 18.069 1.00 0.00 C ATOM 82 CG1 ILE A 9 -11.487 15.738 17.675 1.00 0.00 C ATOM 83 CG2 ILE A 9 -9.628 17.270 16.976 1.00 0.00 C ATOM 84 CD1 ILE A 9 -12.668 16.613 18.030 1.00 0.00 C ATOM 0 H ILE A 9 -10.189 14.789 20.092 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.004 14.613 17.455 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.277 16.926 18.979 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.493 15.552 16.601 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.600 14.772 18.167 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.364 18.052 16.789 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.689 17.723 17.293 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.465 16.699 16.062 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.591 16.121 17.722 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.687 16.779 19.107 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.578 17.571 17.517 1.00 0.00 H new ATOM 96 N GLN A 10 -6.842 15.816 17.734 1.00 0.00 N ATOM 97 CA GLN A 10 -5.515 16.389 17.930 1.00 0.00 C ATOM 98 C GLN A 10 -4.995 17.012 16.640 1.00 0.00 C ATOM 99 O GLN A 10 -5.613 16.886 15.583 1.00 0.00 O ATOM 100 CB GLN A 10 -4.541 15.315 18.421 1.00 0.00 C ATOM 101 CG GLN A 10 -4.125 14.332 17.339 1.00 0.00 C ATOM 102 CD GLN A 10 -5.228 13.355 16.981 1.00 0.00 C ATOM 103 OE1 GLN A 10 -5.998 12.928 17.842 1.00 0.00 O ATOM 104 NE2 GLN A 10 -5.310 12.997 15.706 1.00 0.00 N ATOM 0 H GLN A 10 -6.986 15.387 16.820 1.00 0.00 H new ATOM 0 HA GLN A 10 -5.592 17.172 18.684 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.651 15.799 18.822 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.002 14.766 19.242 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.830 14.884 16.446 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.249 13.777 17.675 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.650 13.376 15.026 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -6.033 12.343 15.405 1.00 0.00 H new ATOM 113 N LYS A 11 -3.854 17.687 16.733 1.00 0.00 N ATOM 114 CA LYS A 11 -3.248 18.331 15.573 1.00 0.00 C ATOM 115 C LYS A 11 -1.868 17.747 15.285 1.00 0.00 C ATOM 116 O LYS A 11 -1.141 17.369 16.204 1.00 0.00 O ATOM 117 CB LYS A 11 -3.138 19.840 15.801 1.00 0.00 C ATOM 118 CG LYS A 11 -4.480 20.553 15.813 1.00 0.00 C ATOM 119 CD LYS A 11 -4.875 21.018 14.422 1.00 0.00 C ATOM 120 CE LYS A 11 -6.387 21.074 14.262 1.00 0.00 C ATOM 121 NZ LYS A 11 -6.957 19.745 13.909 1.00 0.00 N ATOM 0 H LYS A 11 -3.330 17.802 17.600 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.888 18.146 14.710 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.632 20.020 16.750 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.513 20.272 15.020 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.246 19.883 16.205 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.432 21.410 16.485 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.451 22.004 14.233 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.454 20.342 13.678 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.837 21.428 15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.644 21.797 13.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.989 19.825 13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.546 19.419 13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.734 19.061 14.660 1.00 0.00 H new ATOM 135 N ASP A 12 -1.515 17.679 14.006 1.00 0.00 N ATOM 136 CA ASP A 12 -0.221 17.143 13.599 1.00 0.00 C ATOM 137 C ASP A 12 0.007 17.354 12.105 1.00 0.00 C ATOM 138 O ASP A 12 -0.937 17.351 11.315 1.00 0.00 O ATOM 139 CB ASP A 12 -0.132 15.655 13.937 1.00 0.00 C ATOM 140 CG ASP A 12 1.301 15.177 14.075 1.00 0.00 C ATOM 141 OD1 ASP A 12 2.201 15.831 13.509 1.00 0.00 O ATOM 142 OD2 ASP A 12 1.521 14.150 14.751 1.00 0.00 O ATOM 0 H ASP A 12 -2.106 17.988 13.234 1.00 0.00 H new ATOM 0 HA ASP A 12 0.556 17.677 14.146 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.667 15.464 14.867 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.631 15.078 13.158 1.00 0.00 H new ATOM 147 N LEU A 13 1.267 17.537 11.725 1.00 0.00 N ATOM 148 CA LEU A 13 1.620 17.752 10.326 1.00 0.00 C ATOM 149 C LEU A 13 2.952 17.087 9.993 1.00 0.00 C ATOM 150 O LEU A 13 3.914 17.187 10.756 1.00 0.00 O ATOM 151 CB LEU A 13 1.692 19.248 10.020 1.00 0.00 C ATOM 152 CG LEU A 13 0.468 20.074 10.417 1.00 0.00 C ATOM 153 CD1 LEU A 13 0.508 20.409 11.900 1.00 0.00 C ATOM 154 CD2 LEU A 13 0.389 21.345 9.583 1.00 0.00 C ATOM 0 H LEU A 13 2.061 17.541 12.366 1.00 0.00 H new ATOM 0 HA LEU A 13 0.844 17.300 9.708 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.564 19.661 10.527 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.858 19.372 8.950 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.425 19.480 10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.371 20.997 12.164 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.516 19.487 12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.408 20.983 12.119 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.488 21.920 9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.286 21.942 9.744 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.312 21.083 8.528 1.00 0.00 H new ATOM 166 N ALA A 14 3.003 16.413 8.850 1.00 0.00 N ATOM 167 CA ALA A 14 4.218 15.737 8.414 1.00 0.00 C ATOM 168 C ALA A 14 4.203 15.496 6.908 1.00 0.00 C ATOM 169 O ALA A 14 3.155 15.223 6.325 1.00 0.00 O ATOM 170 CB ALA A 14 4.387 14.422 9.159 1.00 0.00 C ATOM 0 H ALA A 14 2.216 16.320 8.208 1.00 0.00 H new ATOM 0 HA ALA A 14 5.065 16.383 8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.299 13.928 8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.453 14.616 10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.531 13.778 8.959 1.00 0.00 H new ATOM 176 N ASN A 15 5.372 15.600 6.285 1.00 0.00 N ATOM 177 CA ASN A 15 5.493 15.395 4.846 1.00 0.00 C ATOM 178 C ASN A 15 4.968 14.019 4.448 1.00 0.00 C ATOM 179 O ASN A 15 4.115 13.900 3.568 1.00 0.00 O ATOM 180 CB ASN A 15 6.951 15.543 4.409 1.00 0.00 C ATOM 181 CG ASN A 15 7.245 14.808 3.115 1.00 0.00 C ATOM 182 OD1 ASN A 15 6.892 15.272 2.031 1.00 0.00 O ATOM 183 ND2 ASN A 15 7.894 13.654 3.225 1.00 0.00 N ATOM 0 H ASN A 15 6.249 15.825 6.754 1.00 0.00 H new ATOM 0 HA ASN A 15 4.892 16.153 4.344 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.184 16.600 4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.603 15.163 5.195 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.119 13.114 2.390 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.167 13.308 4.145 1.00 0.00 H new ATOM 190 N ILE A 16 5.484 12.982 5.100 1.00 0.00 N ATOM 191 CA ILE A 16 5.066 11.616 4.816 1.00 0.00 C ATOM 192 C ILE A 16 3.590 11.560 4.435 1.00 0.00 C ATOM 193 O ILE A 16 2.770 12.299 4.979 1.00 0.00 O ATOM 194 CB ILE A 16 5.310 10.690 6.022 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.804 10.614 6.341 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.751 9.302 5.745 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.627 9.990 5.236 1.00 0.00 C ATOM 0 H ILE A 16 6.193 13.063 5.829 1.00 0.00 H new ATOM 0 HA ILE A 16 5.668 11.270 3.976 1.00 0.00 H new ATOM 0 HB ILE A 16 4.794 11.103 6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.177 11.619 6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.943 10.038 7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.931 8.659 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.679 9.371 5.562 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.242 8.880 4.868 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.676 9.969 5.531 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.281 8.973 5.055 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.518 10.578 4.325 1.00 0.00 H new ATOM 209 N ALA A 17 3.259 10.676 3.499 1.00 0.00 N ATOM 210 CA ALA A 17 1.881 10.521 3.050 1.00 0.00 C ATOM 211 C ALA A 17 1.328 9.154 3.439 1.00 0.00 C ATOM 212 O ALA A 17 1.759 8.128 2.915 1.00 0.00 O ATOM 213 CB ALA A 17 1.792 10.718 1.544 1.00 0.00 C ATOM 0 H ALA A 17 3.926 10.057 3.038 1.00 0.00 H new ATOM 0 HA ALA A 17 1.276 11.283 3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.757 10.599 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.140 11.719 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.415 9.977 1.043 1.00 0.00 H new ATOM 219 N GLU A 18 0.370 9.150 4.362 1.00 0.00 N ATOM 220 CA GLU A 18 -0.241 7.908 4.822 1.00 0.00 C ATOM 221 C GLU A 18 -1.426 7.526 3.941 1.00 0.00 C ATOM 222 O GLU A 18 -2.468 8.181 3.964 1.00 0.00 O ATOM 223 CB GLU A 18 -0.695 8.046 6.276 1.00 0.00 C ATOM 224 CG GLU A 18 -0.660 6.740 7.052 1.00 0.00 C ATOM 225 CD GLU A 18 -0.828 6.943 8.545 1.00 0.00 C ATOM 226 OE1 GLU A 18 -1.947 7.294 8.974 1.00 0.00 O ATOM 227 OE2 GLU A 18 0.159 6.751 9.285 1.00 0.00 O ATOM 0 H GLU A 18 0.001 9.992 4.805 1.00 0.00 H new ATOM 0 HA GLU A 18 0.507 7.118 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.059 8.775 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.710 8.443 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.450 6.084 6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.287 6.234 6.862 1.00 0.00 H new ATOM 234 N VAL A 19 -1.259 6.461 3.164 1.00 0.00 N ATOM 235 CA VAL A 19 -2.314 5.990 2.275 1.00 0.00 C ATOM 236 C VAL A 19 -2.727 4.564 2.619 1.00 0.00 C ATOM 237 O VAL A 19 -1.882 3.687 2.792 1.00 0.00 O ATOM 238 CB VAL A 19 -1.871 6.041 0.801 1.00 0.00 C ATOM 239 CG1 VAL A 19 -2.973 5.517 -0.107 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.479 7.459 0.412 1.00 0.00 C ATOM 0 H VAL A 19 -0.403 5.908 3.132 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.165 6.656 2.415 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.998 5.400 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.641 5.561 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.202 4.485 0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.866 6.129 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.169 7.477 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.333 8.123 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.655 7.794 1.041 1.00 0.00 H new ATOM 250 N GLU A 20 -4.034 4.339 2.717 1.00 0.00 N ATOM 251 CA GLU A 20 -4.560 3.018 3.042 1.00 0.00 C ATOM 252 C GLU A 20 -5.404 2.472 1.896 1.00 0.00 C ATOM 253 O GLU A 20 -6.125 3.216 1.230 1.00 0.00 O ATOM 254 CB GLU A 20 -5.395 3.078 4.323 1.00 0.00 C ATOM 255 CG GLU A 20 -4.592 3.452 5.557 1.00 0.00 C ATOM 256 CD GLU A 20 -5.445 4.090 6.637 1.00 0.00 C ATOM 257 OE1 GLU A 20 -6.396 3.433 7.108 1.00 0.00 O ATOM 258 OE2 GLU A 20 -5.160 5.247 7.011 1.00 0.00 O ATOM 0 H GLU A 20 -4.748 5.054 2.576 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.715 2.347 3.199 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.198 3.803 4.189 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.865 2.108 4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.112 2.559 5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.796 4.141 5.273 1.00 0.00 H new ATOM 265 N VAL A 21 -5.310 1.165 1.669 1.00 0.00 N ATOM 266 CA VAL A 21 -6.065 0.517 0.603 1.00 0.00 C ATOM 267 C VAL A 21 -6.913 -0.627 1.148 1.00 0.00 C ATOM 268 O VAL A 21 -6.496 -1.344 2.057 1.00 0.00 O ATOM 269 CB VAL A 21 -5.132 -0.027 -0.494 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.235 -1.122 0.062 1.00 0.00 C ATOM 271 CG2 VAL A 21 -5.942 -0.539 -1.675 1.00 0.00 C ATOM 0 H VAL A 21 -4.718 0.534 2.210 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.718 1.275 0.171 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.497 0.787 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.583 -1.494 -0.728 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.629 -0.719 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.850 -1.939 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.267 -0.920 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.603 -1.340 -1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.537 0.275 -2.088 1.00 0.00 H new ATOM 281 N SER A 22 -8.106 -0.792 0.586 1.00 0.00 N ATOM 282 CA SER A 22 -9.015 -1.847 1.017 1.00 0.00 C ATOM 283 C SER A 22 -8.596 -3.195 0.438 1.00 0.00 C ATOM 284 O SER A 22 -8.673 -3.416 -0.770 1.00 0.00 O ATOM 285 CB SER A 22 -10.448 -1.521 0.592 1.00 0.00 C ATOM 286 OG SER A 22 -11.360 -2.486 1.086 1.00 0.00 O ATOM 0 H SER A 22 -8.466 -0.208 -0.169 1.00 0.00 H new ATOM 0 HA SER A 22 -8.971 -1.908 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.724 -0.533 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.508 -1.483 -0.496 1.00 0.00 H new ATOM 0 HG SER A 22 -12.268 -2.253 0.801 1.00 0.00 H new ATOM 292 N ILE A 23 -8.152 -4.094 1.311 1.00 0.00 N ATOM 293 CA ILE A 23 -7.721 -5.420 0.889 1.00 0.00 C ATOM 294 C ILE A 23 -7.966 -6.453 1.983 1.00 0.00 C ATOM 295 O ILE A 23 -7.717 -6.212 3.165 1.00 0.00 O ATOM 296 CB ILE A 23 -6.228 -5.433 0.511 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.962 -4.462 -0.640 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.789 -6.841 0.136 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.495 -4.307 -0.973 1.00 0.00 C ATOM 0 H ILE A 23 -8.082 -3.927 2.315 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.312 -5.678 0.011 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.647 -5.110 1.375 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.493 -4.808 -1.527 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.373 -3.486 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.732 -6.834 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.947 -7.509 0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.374 -7.190 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.382 -3.604 -1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.961 -3.931 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.083 -5.274 -1.261 1.00 0.00 H new ATOM 311 N PRO A 24 -8.465 -7.632 1.584 1.00 0.00 N ATOM 312 CA PRO A 24 -8.753 -8.726 2.516 1.00 0.00 C ATOM 313 C PRO A 24 -7.485 -9.347 3.090 1.00 0.00 C ATOM 314 O PRO A 24 -6.422 -9.299 2.471 1.00 0.00 O ATOM 315 CB PRO A 24 -9.501 -9.742 1.650 1.00 0.00 C ATOM 316 CG PRO A 24 -9.038 -9.468 0.260 1.00 0.00 C ATOM 317 CD PRO A 24 -8.787 -7.988 0.192 1.00 0.00 C ATOM 0 HA PRO A 24 -9.320 -8.385 3.382 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.270 -10.764 1.950 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.580 -9.620 1.739 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.131 -10.028 0.033 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.790 -9.770 -0.469 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.965 -7.750 -0.484 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.663 -7.448 -0.169 1.00 0.00 H new ATOM 325 N ALA A 25 -7.602 -9.930 4.278 1.00 0.00 N ATOM 326 CA ALA A 25 -6.465 -10.563 4.935 1.00 0.00 C ATOM 327 C ALA A 25 -6.028 -11.818 4.188 1.00 0.00 C ATOM 328 O ALA A 25 -4.835 -12.103 4.075 1.00 0.00 O ATOM 329 CB ALA A 25 -6.809 -10.899 6.379 1.00 0.00 C ATOM 0 H ALA A 25 -8.474 -9.977 4.806 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.634 -9.858 4.926 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.951 -11.371 6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.065 -9.985 6.914 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.658 -11.582 6.401 1.00 0.00 H new ATOM 335 N LYS A 26 -7.000 -12.566 3.677 1.00 0.00 N ATOM 336 CA LYS A 26 -6.716 -13.791 2.938 1.00 0.00 C ATOM 337 C LYS A 26 -5.640 -13.552 1.883 1.00 0.00 C ATOM 338 O LYS A 26 -4.913 -14.472 1.504 1.00 0.00 O ATOM 339 CB LYS A 26 -7.990 -14.316 2.273 1.00 0.00 C ATOM 340 CG LYS A 26 -8.281 -13.677 0.926 1.00 0.00 C ATOM 341 CD LYS A 26 -9.764 -13.720 0.599 1.00 0.00 C ATOM 342 CE LYS A 26 -10.057 -13.069 -0.745 1.00 0.00 C ATOM 343 NZ LYS A 26 -11.520 -12.967 -1.004 1.00 0.00 N ATOM 0 H LYS A 26 -7.992 -12.345 3.761 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.349 -14.536 3.644 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.904 -15.395 2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.835 -14.142 2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.938 -12.642 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.720 -14.195 0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.105 -14.755 0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.325 -13.210 1.382 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.613 -12.074 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.587 -13.649 -1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.678 -12.518 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.940 -13.919 -1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.965 -12.393 -0.260 1.00 0.00 H new ATOM 357 N LEU A 27 -5.542 -12.313 1.413 1.00 0.00 N ATOM 358 CA LEU A 27 -4.553 -11.955 0.403 1.00 0.00 C ATOM 359 C LEU A 27 -3.263 -11.467 1.052 1.00 0.00 C ATOM 360 O LEU A 27 -2.166 -11.768 0.583 1.00 0.00 O ATOM 361 CB LEU A 27 -5.111 -10.873 -0.524 1.00 0.00 C ATOM 362 CG LEU A 27 -6.224 -11.315 -1.477 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.703 -10.141 -2.318 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.743 -12.451 -2.367 1.00 0.00 C ATOM 0 H LEU A 27 -6.135 -11.540 1.715 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.329 -12.847 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.489 -10.056 0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.289 -10.472 -1.118 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.064 -11.676 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.494 -10.474 -2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.087 -9.358 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.871 -9.749 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.547 -12.753 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.887 -12.116 -2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.450 -13.299 -1.748 1.00 0.00 H new ATOM 376 N HIS A 28 -3.402 -10.711 2.137 1.00 0.00 N ATOM 377 CA HIS A 28 -2.246 -10.182 2.854 1.00 0.00 C ATOM 378 C HIS A 28 -1.143 -11.231 2.954 1.00 0.00 C ATOM 379 O HIS A 28 -0.095 -11.106 2.323 1.00 0.00 O ATOM 380 CB HIS A 28 -2.655 -9.721 4.254 1.00 0.00 C ATOM 381 CG HIS A 28 -3.598 -8.557 4.248 1.00 0.00 C ATOM 382 ND1 HIS A 28 -4.009 -7.916 5.398 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.209 -7.917 3.224 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.834 -6.934 5.081 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.972 -6.913 3.767 1.00 0.00 N ATOM 0 H HIS A 28 -4.303 -10.451 2.539 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.862 -9.328 2.296 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.122 -10.554 4.780 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.760 -9.451 4.815 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.114 -8.152 2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.314 -6.263 5.777 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.551 -6.258 3.242 1.00 0.00 H new ATOM 393 N ASN A 29 -1.387 -12.266 3.753 1.00 0.00 N ATOM 394 CA ASN A 29 -0.414 -13.336 3.937 1.00 0.00 C ATOM 395 C ASN A 29 0.306 -13.647 2.628 1.00 0.00 C ATOM 396 O ASN A 29 1.532 -13.747 2.590 1.00 0.00 O ATOM 397 CB ASN A 29 -1.102 -14.595 4.465 1.00 0.00 C ATOM 398 CG ASN A 29 -2.444 -14.843 3.802 1.00 0.00 C ATOM 399 OD1 ASN A 29 -3.487 -14.451 4.324 1.00 0.00 O ATOM 400 ND2 ASN A 29 -2.421 -15.495 2.646 1.00 0.00 N ATOM 0 H ASN A 29 -2.250 -12.386 4.283 1.00 0.00 H new ATOM 0 HA ASN A 29 0.323 -13.001 4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.454 -15.456 4.300 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.243 -14.504 5.542 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.292 -15.690 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.532 -15.801 2.251 1.00 0.00 H new ATOM 407 N SER A 30 -0.466 -13.800 1.557 1.00 0.00 N ATOM 408 CA SER A 30 0.096 -14.104 0.246 1.00 0.00 C ATOM 409 C SER A 30 1.005 -12.974 -0.230 1.00 0.00 C ATOM 410 O SER A 30 2.196 -13.179 -0.471 1.00 0.00 O ATOM 411 CB SER A 30 -1.022 -14.337 -0.771 1.00 0.00 C ATOM 412 OG SER A 30 -1.414 -15.699 -0.796 1.00 0.00 O ATOM 0 H SER A 30 -1.483 -13.718 1.571 1.00 0.00 H new ATOM 0 HA SER A 30 0.691 -15.013 0.335 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.880 -13.713 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.685 -14.034 -1.762 1.00 0.00 H new ATOM 0 HG SER A 30 -2.131 -15.821 -1.453 1.00 0.00 H new ATOM 418 N LEU A 31 0.435 -11.782 -0.364 1.00 0.00 N ATOM 419 CA LEU A 31 1.192 -10.618 -0.811 1.00 0.00 C ATOM 420 C LEU A 31 2.515 -10.507 -0.060 1.00 0.00 C ATOM 421 O LEU A 31 3.560 -10.251 -0.659 1.00 0.00 O ATOM 422 CB LEU A 31 0.370 -9.343 -0.611 1.00 0.00 C ATOM 423 CG LEU A 31 -0.517 -8.926 -1.784 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.643 -8.023 -1.307 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.309 -8.228 -2.856 1.00 0.00 C ATOM 0 H LEU A 31 -0.549 -11.596 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 31 1.408 -10.741 -1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.262 -9.476 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.055 -8.524 -0.390 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.957 -9.824 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.264 -7.736 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.251 -8.555 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.222 -7.129 -0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.339 -7.938 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.777 -7.339 -2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.081 -8.906 -3.220 1.00 0.00 H new ATOM 437 N ILE A 32 2.461 -10.704 1.254 1.00 0.00 N ATOM 438 CA ILE A 32 3.656 -10.629 2.085 1.00 0.00 C ATOM 439 C ILE A 32 4.706 -11.637 1.630 1.00 0.00 C ATOM 440 O ILE A 32 5.884 -11.305 1.497 1.00 0.00 O ATOM 441 CB ILE A 32 3.327 -10.882 3.568 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.236 -9.918 4.042 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.577 -10.736 4.421 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.608 -10.317 5.359 1.00 0.00 C ATOM 0 H ILE A 32 1.604 -10.916 1.765 1.00 0.00 H new ATOM 0 HA ILE A 32 4.053 -9.620 1.976 1.00 0.00 H new ATOM 0 HB ILE A 32 2.957 -11.902 3.674 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.662 -8.919 4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.458 -9.860 3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.327 -10.918 5.466 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.326 -11.458 4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.975 -9.727 4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.844 -9.589 5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.152 -11.302 5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.375 -10.347 6.133 1.00 0.00 H new ATOM 456 N GLY A 33 4.271 -12.870 1.393 1.00 0.00 N ATOM 457 CA GLY A 33 5.186 -13.908 0.955 1.00 0.00 C ATOM 458 C GLY A 33 5.504 -14.903 2.054 1.00 0.00 C ATOM 459 O GLY A 33 4.817 -14.955 3.073 1.00 0.00 O ATOM 0 H GLY A 33 3.301 -13.169 1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.752 -14.436 0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.111 -13.449 0.606 1.00 0.00 H new ATOM 463 N THR A 34 6.550 -15.698 1.846 1.00 0.00 N ATOM 464 CA THR A 34 6.957 -16.697 2.825 1.00 0.00 C ATOM 465 C THR A 34 7.224 -16.060 4.183 1.00 0.00 C ATOM 466 O THR A 34 6.659 -16.471 5.196 1.00 0.00 O ATOM 467 CB THR A 34 8.220 -17.451 2.366 1.00 0.00 C ATOM 468 OG1 THR A 34 8.680 -18.316 3.411 1.00 0.00 O ATOM 469 CG2 THR A 34 9.323 -16.476 1.985 1.00 0.00 C ATOM 0 H THR A 34 7.130 -15.668 1.008 1.00 0.00 H new ATOM 0 HA THR A 34 6.133 -17.405 2.916 1.00 0.00 H new ATOM 0 HB THR A 34 7.964 -18.046 1.489 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.482 -18.793 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.205 -17.031 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.980 -15.838 1.170 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.577 -15.859 2.847 1.00 0.00 H new ATOM 477 N LYS A 35 8.089 -15.051 4.197 1.00 0.00 N ATOM 478 CA LYS A 35 8.431 -14.354 5.432 1.00 0.00 C ATOM 479 C LYS A 35 8.209 -12.852 5.287 1.00 0.00 C ATOM 480 O LYS A 35 8.206 -12.117 6.275 1.00 0.00 O ATOM 481 CB LYS A 35 9.889 -14.630 5.812 1.00 0.00 C ATOM 482 CG LYS A 35 10.890 -14.125 4.788 1.00 0.00 C ATOM 483 CD LYS A 35 12.292 -14.047 5.370 1.00 0.00 C ATOM 484 CE LYS A 35 12.995 -15.394 5.311 1.00 0.00 C ATOM 485 NZ LYS A 35 12.697 -16.229 6.509 1.00 0.00 N ATOM 0 H LYS A 35 8.566 -14.698 3.367 1.00 0.00 H new ATOM 0 HA LYS A 35 7.779 -14.726 6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.099 -14.163 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.025 -15.704 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.891 -14.787 3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.586 -13.139 4.436 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.874 -13.307 4.821 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.239 -13.708 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.685 -15.926 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.071 -15.239 5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.506 -16.851 6.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.524 -15.612 7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.852 -16.808 6.327 1.00 0.00 H new ATOM 499 N GLY A 36 8.024 -12.402 4.050 1.00 0.00 N ATOM 500 CA GLY A 36 7.802 -10.989 3.799 1.00 0.00 C ATOM 501 C GLY A 36 8.758 -10.427 2.767 1.00 0.00 C ATOM 502 O GLY A 36 8.972 -9.216 2.704 1.00 0.00 O ATOM 0 H GLY A 36 8.024 -12.990 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.777 -10.840 3.459 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.912 -10.436 4.732 1.00 0.00 H new ATOM 506 N ARG A 37 9.336 -11.306 1.956 1.00 0.00 N ATOM 507 CA ARG A 37 10.278 -10.890 0.923 1.00 0.00 C ATOM 508 C ARG A 37 9.549 -10.223 -0.239 1.00 0.00 C ATOM 509 O ARG A 37 9.979 -9.183 -0.740 1.00 0.00 O ATOM 510 CB ARG A 37 11.076 -12.094 0.417 1.00 0.00 C ATOM 511 CG ARG A 37 11.566 -11.940 -1.014 1.00 0.00 C ATOM 512 CD ARG A 37 12.648 -12.956 -1.344 1.00 0.00 C ATOM 513 NE ARG A 37 13.927 -12.612 -0.731 1.00 0.00 N ATOM 514 CZ ARG A 37 14.691 -11.605 -1.141 1.00 0.00 C ATOM 515 NH1 ARG A 37 14.306 -10.847 -2.158 1.00 0.00 N ATOM 516 NH2 ARG A 37 15.844 -11.354 -0.532 1.00 0.00 N ATOM 0 H ARG A 37 9.169 -12.312 1.994 1.00 0.00 H new ATOM 0 HA ARG A 37 10.965 -10.166 1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.934 -12.252 1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.454 -12.987 0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.729 -12.062 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.955 -10.932 -1.160 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.336 -13.942 -1.001 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.769 -13.018 -2.425 1.00 0.00 H new ATOM 0 HE ARG A 37 14.252 -13.175 0.055 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.421 -11.036 -2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.895 -10.075 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.144 -11.934 0.251 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.430 -10.581 -0.848 1.00 0.00 H new ATOM 530 N LEU A 38 8.445 -10.827 -0.663 1.00 0.00 N ATOM 531 CA LEU A 38 7.656 -10.292 -1.767 1.00 0.00 C ATOM 532 C LEU A 38 7.305 -8.828 -1.526 1.00 0.00 C ATOM 533 O LEU A 38 7.313 -8.016 -2.452 1.00 0.00 O ATOM 534 CB LEU A 38 6.378 -11.112 -1.951 1.00 0.00 C ATOM 535 CG LEU A 38 5.829 -11.190 -3.377 1.00 0.00 C ATOM 536 CD1 LEU A 38 5.691 -9.798 -3.972 1.00 0.00 C ATOM 537 CD2 LEU A 38 6.727 -12.057 -4.246 1.00 0.00 C ATOM 0 H LEU A 38 8.076 -11.688 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 38 8.256 -10.357 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.568 -12.126 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.605 -10.692 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 38 4.840 -11.647 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.299 -9.873 -4.986 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.007 -9.208 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.667 -9.314 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.322 -12.102 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.729 -11.628 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.775 -13.063 -3.830 1.00 0.00 H new ATOM 549 N ILE A 39 6.998 -8.496 -0.276 1.00 0.00 N ATOM 550 CA ILE A 39 6.647 -7.129 0.088 1.00 0.00 C ATOM 551 C ILE A 39 7.895 -6.293 0.353 1.00 0.00 C ATOM 552 O ILE A 39 7.990 -5.147 -0.084 1.00 0.00 O ATOM 553 CB ILE A 39 5.743 -7.093 1.334 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.310 -7.480 0.963 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.776 -5.711 1.972 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.591 -6.426 0.150 1.00 0.00 C ATOM 0 H ILE A 39 6.985 -9.156 0.502 1.00 0.00 H new ATOM 0 HA ILE A 39 6.103 -6.707 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 39 6.118 -7.816 2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.328 -8.413 0.399 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.746 -7.671 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.132 -5.701 2.852 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.797 -5.471 2.267 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.422 -4.971 1.255 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.581 -6.768 -0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.541 -5.498 0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.132 -6.252 -0.780 1.00 0.00 H new ATOM 568 N ARG A 40 8.849 -6.876 1.070 1.00 0.00 N ATOM 569 CA ARG A 40 10.091 -6.186 1.393 1.00 0.00 C ATOM 570 C ARG A 40 10.759 -5.649 0.131 1.00 0.00 C ATOM 571 O ARG A 40 11.302 -4.544 0.126 1.00 0.00 O ATOM 572 CB ARG A 40 11.049 -7.128 2.127 1.00 0.00 C ATOM 573 CG ARG A 40 10.893 -7.099 3.639 1.00 0.00 C ATOM 574 CD ARG A 40 12.178 -7.509 4.339 1.00 0.00 C ATOM 575 NE ARG A 40 13.257 -6.554 4.106 1.00 0.00 N ATOM 576 CZ ARG A 40 14.532 -6.801 4.391 1.00 0.00 C ATOM 577 NH1 ARG A 40 14.883 -7.966 4.917 1.00 0.00 N ATOM 578 NH2 ARG A 40 15.457 -5.881 4.149 1.00 0.00 N ATOM 0 H ARG A 40 8.786 -7.825 1.438 1.00 0.00 H new ATOM 0 HA ARG A 40 9.850 -5.345 2.043 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.886 -8.146 1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.074 -6.861 1.871 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.608 -6.096 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 40 10.086 -7.769 3.936 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.996 -7.595 5.410 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.484 -8.494 3.987 1.00 0.00 H new ATOM 0 HE ARG A 40 13.020 -5.648 3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.174 -8.675 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.862 -8.153 5.135 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.190 -4.984 3.744 1.00 0.00 H new ATOM 0 HH22 ARG A 40 16.435 -6.071 4.368 1.00 0.00 H new ATOM 592 N SER A 41 10.715 -6.438 -0.937 1.00 0.00 N ATOM 593 CA SER A 41 11.319 -6.043 -2.205 1.00 0.00 C ATOM 594 C SER A 41 10.708 -4.742 -2.717 1.00 0.00 C ATOM 595 O SER A 41 11.413 -3.757 -2.937 1.00 0.00 O ATOM 596 CB SER A 41 11.138 -7.149 -3.246 1.00 0.00 C ATOM 597 OG SER A 41 12.015 -8.234 -2.996 1.00 0.00 O ATOM 0 H SER A 41 10.268 -7.355 -0.950 1.00 0.00 H new ATOM 0 HA SER A 41 12.384 -5.882 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 41 10.106 -7.501 -3.232 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.325 -6.749 -4.243 1.00 0.00 H new ATOM 0 HG SER A 41 11.651 -8.789 -2.275 1.00 0.00 H new ATOM 603 N ILE A 42 9.392 -4.746 -2.901 1.00 0.00 N ATOM 604 CA ILE A 42 8.685 -3.567 -3.385 1.00 0.00 C ATOM 605 C ILE A 42 9.115 -2.318 -2.624 1.00 0.00 C ATOM 606 O ILE A 42 9.376 -1.275 -3.221 1.00 0.00 O ATOM 607 CB ILE A 42 7.159 -3.734 -3.257 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.685 -4.934 -4.080 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.449 -2.464 -3.704 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.236 -5.295 -3.840 1.00 0.00 C ATOM 0 H ILE A 42 8.794 -5.553 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 42 8.942 -3.454 -4.438 1.00 0.00 H new ATOM 0 HB ILE A 42 6.914 -3.916 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.827 -4.717 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.310 -5.796 -3.845 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.371 -2.597 -3.608 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.769 -1.629 -3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.698 -2.255 -4.745 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.968 -6.154 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.092 -5.543 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.602 -4.448 -4.103 1.00 0.00 H new ATOM 622 N MET A 43 9.186 -2.433 -1.302 1.00 0.00 N ATOM 623 CA MET A 43 9.588 -1.313 -0.458 1.00 0.00 C ATOM 624 C MET A 43 10.859 -0.660 -0.991 1.00 0.00 C ATOM 625 O MET A 43 10.918 0.558 -1.158 1.00 0.00 O ATOM 626 CB MET A 43 9.805 -1.783 0.981 1.00 0.00 C ATOM 627 CG MET A 43 8.523 -2.195 1.686 1.00 0.00 C ATOM 628 SD MET A 43 8.610 -1.966 3.473 1.00 0.00 S ATOM 629 CE MET A 43 9.536 -3.422 3.957 1.00 0.00 C ATOM 0 H MET A 43 8.971 -3.290 -0.792 1.00 0.00 H new ATOM 0 HA MET A 43 8.788 -0.573 -0.473 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.496 -2.626 0.979 1.00 0.00 H new ATOM 0 HB3 MET A 43 10.281 -0.983 1.548 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.691 -1.613 1.289 1.00 0.00 H new ATOM 0 HG3 MET A 43 8.313 -3.242 1.467 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.841 -3.330 4.999 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.911 -4.307 3.839 1.00 0.00 H new ATOM 0 HE3 MET A 43 10.421 -3.516 3.327 1.00 0.00 H new ATOM 639 N GLU A 44 11.873 -1.478 -1.255 1.00 0.00 N ATOM 640 CA GLU A 44 13.143 -0.977 -1.766 1.00 0.00 C ATOM 641 C GLU A 44 13.015 -0.563 -3.230 1.00 0.00 C ATOM 642 O GLU A 44 13.238 0.596 -3.578 1.00 0.00 O ATOM 643 CB GLU A 44 14.233 -2.042 -1.620 1.00 0.00 C ATOM 644 CG GLU A 44 15.636 -1.467 -1.529 1.00 0.00 C ATOM 645 CD GLU A 44 16.174 -1.022 -2.874 1.00 0.00 C ATOM 646 OE1 GLU A 44 15.893 0.126 -3.276 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.878 -1.823 -3.526 1.00 0.00 O ATOM 0 H GLU A 44 11.840 -2.489 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 44 13.420 -0.100 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.033 -2.634 -0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.182 -2.721 -2.471 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.633 -0.619 -0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.304 -2.216 -1.105 1.00 0.00 H new ATOM 654 N GLU A 45 12.656 -1.520 -4.080 1.00 0.00 N ATOM 655 CA GLU A 45 12.500 -1.254 -5.505 1.00 0.00 C ATOM 656 C GLU A 45 11.787 0.075 -5.736 1.00 0.00 C ATOM 657 O GLU A 45 12.166 0.850 -6.614 1.00 0.00 O ATOM 658 CB GLU A 45 11.718 -2.387 -6.175 1.00 0.00 C ATOM 659 CG GLU A 45 12.400 -3.742 -6.068 1.00 0.00 C ATOM 660 CD GLU A 45 11.919 -4.721 -7.121 1.00 0.00 C ATOM 661 OE1 GLU A 45 10.700 -4.752 -7.391 1.00 0.00 O ATOM 662 OE2 GLU A 45 12.763 -5.455 -7.676 1.00 0.00 O ATOM 0 H GLU A 45 12.468 -2.485 -3.807 1.00 0.00 H new ATOM 0 HA GLU A 45 13.494 -1.195 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.728 -2.451 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.573 -2.144 -7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.478 -3.611 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.217 -4.160 -5.078 1.00 0.00 H new ATOM 669 N CYS A 46 10.753 0.331 -4.942 1.00 0.00 N ATOM 670 CA CYS A 46 9.985 1.566 -5.061 1.00 0.00 C ATOM 671 C CYS A 46 10.822 2.769 -4.639 1.00 0.00 C ATOM 672 O CYS A 46 11.015 3.705 -5.412 1.00 0.00 O ATOM 673 CB CYS A 46 8.718 1.486 -4.208 1.00 0.00 C ATOM 674 SG CYS A 46 7.369 2.541 -4.790 1.00 0.00 S ATOM 0 H CYS A 46 10.427 -0.299 -4.209 1.00 0.00 H new ATOM 0 HA CYS A 46 9.703 1.691 -6.106 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.373 0.452 -4.185 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.965 1.762 -3.183 1.00 0.00 H new ATOM 0 HG CYS A 46 6.718 3.015 -3.770 1.00 0.00 H new ATOM 680 N GLY A 47 11.315 2.735 -3.404 1.00 0.00 N ATOM 681 CA GLY A 47 12.124 3.830 -2.899 1.00 0.00 C ATOM 682 C GLY A 47 12.498 3.650 -1.441 1.00 0.00 C ATOM 683 O GLY A 47 13.621 3.951 -1.039 1.00 0.00 O ATOM 0 H GLY A 47 11.169 1.970 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.032 3.912 -3.496 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.578 4.766 -3.018 1.00 0.00 H new ATOM 687 N GLY A 48 11.553 3.158 -0.646 1.00 0.00 N ATOM 688 CA GLY A 48 11.807 2.949 0.767 1.00 0.00 C ATOM 689 C GLY A 48 10.578 3.193 1.620 1.00 0.00 C ATOM 690 O GLY A 48 10.674 3.751 2.713 1.00 0.00 O ATOM 0 H GLY A 48 10.616 2.900 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.157 1.928 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.608 3.613 1.091 1.00 0.00 H new ATOM 694 N VAL A 49 9.420 2.776 1.120 1.00 0.00 N ATOM 695 CA VAL A 49 8.167 2.953 1.843 1.00 0.00 C ATOM 696 C VAL A 49 7.881 1.758 2.748 1.00 0.00 C ATOM 697 O VAL A 49 8.333 0.645 2.485 1.00 0.00 O ATOM 698 CB VAL A 49 6.983 3.145 0.877 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.238 4.323 -0.052 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.733 1.873 0.081 1.00 0.00 C ATOM 0 H VAL A 49 9.323 2.313 0.216 1.00 0.00 H new ATOM 0 HA VAL A 49 8.278 3.850 2.453 1.00 0.00 H new ATOM 0 HB VAL A 49 6.090 3.361 1.463 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.391 4.444 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.364 5.231 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.142 4.139 -0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.893 2.027 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.624 1.624 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.503 1.055 0.764 1.00 0.00 H new ATOM 710 N HIS A 50 7.125 2.000 3.815 1.00 0.00 N ATOM 711 CA HIS A 50 6.777 0.943 4.759 1.00 0.00 C ATOM 712 C HIS A 50 5.298 0.588 4.656 1.00 0.00 C ATOM 713 O HIS A 50 4.438 1.469 4.633 1.00 0.00 O ATOM 714 CB HIS A 50 7.112 1.376 6.186 1.00 0.00 C ATOM 715 CG HIS A 50 8.527 1.833 6.359 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.359 2.477 5.506 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 9.245 1.639 7.519 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.552 2.660 6.162 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.457 2.145 7.375 1.00 0.00 N flip ATOM 0 H HIS A 50 6.742 2.917 4.047 1.00 0.00 H new ATOM 0 HA HIS A 50 7.362 0.058 4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.440 2.183 6.479 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.923 0.543 6.863 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.875 1.150 8.408 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.425 3.146 5.753 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.194 2.139 8.080 1.00 0.00 H new ATOM 727 N ILE A 51 5.007 -0.707 4.592 1.00 0.00 N ATOM 728 CA ILE A 51 3.631 -1.178 4.492 1.00 0.00 C ATOM 729 C ILE A 51 3.202 -1.895 5.766 1.00 0.00 C ATOM 730 O ILE A 51 3.984 -2.626 6.375 1.00 0.00 O ATOM 731 CB ILE A 51 3.448 -2.128 3.294 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.898 -1.447 2.000 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.997 -2.571 3.187 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.373 -2.416 0.940 1.00 0.00 C ATOM 0 H ILE A 51 5.706 -1.449 4.608 1.00 0.00 H new ATOM 0 HA ILE A 51 3.005 -0.298 4.346 1.00 0.00 H new ATOM 0 HB ILE A 51 4.068 -3.011 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.070 -0.861 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.702 -0.748 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.883 -3.242 2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.707 -3.091 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.359 -1.698 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.676 -1.863 0.051 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.222 -2.984 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.564 -3.100 0.683 1.00 0.00 H new ATOM 746 N HIS A 52 1.951 -1.684 6.165 1.00 0.00 N ATOM 747 CA HIS A 52 1.415 -2.313 7.367 1.00 0.00 C ATOM 748 C HIS A 52 0.389 -3.384 7.008 1.00 0.00 C ATOM 749 O HIS A 52 -0.581 -3.116 6.300 1.00 0.00 O ATOM 750 CB HIS A 52 0.777 -1.263 8.276 1.00 0.00 C ATOM 751 CG HIS A 52 1.773 -0.417 9.007 1.00 0.00 C ATOM 752 ND1 HIS A 52 1.937 -0.459 10.375 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.663 0.495 8.551 1.00 0.00 C ATOM 754 CE1 HIS A 52 2.882 0.393 10.730 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.339 0.984 9.641 1.00 0.00 N ATOM 0 H HIS A 52 1.290 -1.082 5.673 1.00 0.00 H new ATOM 0 HA HIS A 52 2.240 -2.789 7.898 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.135 -0.617 7.676 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.136 -1.764 9.002 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.813 0.784 7.521 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.223 0.575 11.739 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.075 1.690 9.614 1.00 0.00 H new ATOM 763 N PHE A 53 0.612 -4.598 7.501 1.00 0.00 N ATOM 764 CA PHE A 53 -0.292 -5.710 7.231 1.00 0.00 C ATOM 765 C PHE A 53 -0.718 -6.393 8.527 1.00 0.00 C ATOM 766 O PHE A 53 0.082 -7.025 9.217 1.00 0.00 O ATOM 767 CB PHE A 53 0.378 -6.726 6.303 1.00 0.00 C ATOM 768 CG PHE A 53 0.218 -6.402 4.845 1.00 0.00 C ATOM 769 CD1 PHE A 53 -0.992 -6.612 4.203 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.279 -5.888 4.116 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.140 -6.315 2.861 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.136 -5.590 2.774 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.076 -5.802 2.146 1.00 0.00 C ATOM 0 H PHE A 53 1.410 -4.837 8.089 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.181 -5.311 6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.440 -6.778 6.541 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.041 -7.714 6.496 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.828 -7.012 4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.228 -5.718 4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.088 -6.484 2.372 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.971 -5.192 2.217 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.191 -5.567 1.098 1.00 0.00 H new ATOM 783 N PRO A 54 -2.008 -6.261 8.868 1.00 0.00 N ATOM 784 CA PRO A 54 -2.570 -6.857 10.083 1.00 0.00 C ATOM 785 C PRO A 54 -2.645 -8.378 10.002 1.00 0.00 C ATOM 786 O PRO A 54 -3.012 -8.937 8.968 1.00 0.00 O ATOM 787 CB PRO A 54 -3.976 -6.255 10.156 1.00 0.00 C ATOM 788 CG PRO A 54 -4.315 -5.912 8.748 1.00 0.00 C ATOM 789 CD PRO A 54 -3.018 -5.520 8.094 1.00 0.00 C ATOM 0 HA PRO A 54 -1.957 -6.650 10.960 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.690 -6.966 10.573 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.996 -5.372 10.794 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.768 -6.762 8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.035 -5.095 8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.000 -5.797 7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.852 -4.444 8.143 1.00 0.00 H new ATOM 797 N VAL A 55 -2.297 -9.044 11.099 1.00 0.00 N ATOM 798 CA VAL A 55 -2.327 -10.500 11.151 1.00 0.00 C ATOM 799 C VAL A 55 -3.695 -11.037 10.747 1.00 0.00 C ATOM 800 O VAL A 55 -4.727 -10.516 11.170 1.00 0.00 O ATOM 801 CB VAL A 55 -1.980 -11.018 12.560 1.00 0.00 C ATOM 802 CG1 VAL A 55 -2.063 -12.536 12.607 1.00 0.00 C ATOM 803 CG2 VAL A 55 -0.599 -10.538 12.979 1.00 0.00 C ATOM 0 H VAL A 55 -1.991 -8.597 11.964 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.577 -10.857 10.445 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.708 -10.617 13.265 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.815 -12.883 13.610 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.075 -12.853 12.353 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.359 -12.961 11.891 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.371 -10.913 13.977 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.145 -10.908 12.273 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.580 -9.448 12.988 1.00 0.00 H new ATOM 813 N GLU A 56 -3.695 -12.082 9.924 1.00 0.00 N ATOM 814 CA GLU A 56 -4.938 -12.689 9.462 1.00 0.00 C ATOM 815 C GLU A 56 -5.948 -12.796 10.602 1.00 0.00 C ATOM 816 O GLU A 56 -7.115 -12.439 10.447 1.00 0.00 O ATOM 817 CB GLU A 56 -4.666 -14.075 8.874 1.00 0.00 C ATOM 818 CG GLU A 56 -3.772 -14.050 7.645 1.00 0.00 C ATOM 819 CD GLU A 56 -2.298 -14.011 7.998 1.00 0.00 C ATOM 820 OE1 GLU A 56 -1.830 -14.931 8.701 1.00 0.00 O ATOM 821 OE2 GLU A 56 -1.612 -13.059 7.569 1.00 0.00 O ATOM 0 H GLU A 56 -2.849 -12.525 9.564 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.359 -12.050 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.202 -14.700 9.637 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.615 -14.542 8.613 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.973 -14.931 7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.020 -13.180 7.038 1.00 0.00 H new ATOM 828 N GLY A 57 -5.488 -13.292 11.747 1.00 0.00 N ATOM 829 CA GLY A 57 -6.363 -13.439 12.895 1.00 0.00 C ATOM 830 C GLY A 57 -7.168 -12.185 13.175 1.00 0.00 C ATOM 831 O GLY A 57 -8.337 -12.261 13.552 1.00 0.00 O ATOM 0 H GLY A 57 -4.526 -13.594 11.900 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.043 -14.273 12.725 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.767 -13.688 13.773 1.00 0.00 H new ATOM 835 N SER A 58 -6.539 -11.028 12.994 1.00 0.00 N ATOM 836 CA SER A 58 -7.203 -9.752 13.236 1.00 0.00 C ATOM 837 C SER A 58 -8.359 -9.549 12.262 1.00 0.00 C ATOM 838 O SER A 58 -9.457 -9.155 12.657 1.00 0.00 O ATOM 839 CB SER A 58 -6.203 -8.601 13.105 1.00 0.00 C ATOM 840 OG SER A 58 -6.810 -7.360 13.423 1.00 0.00 O ATOM 0 H SER A 58 -5.572 -10.948 12.681 1.00 0.00 H new ATOM 0 HA SER A 58 -7.603 -9.764 14.250 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.355 -8.775 13.767 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.812 -8.568 12.088 1.00 0.00 H new ATOM 0 HG SER A 58 -6.150 -6.641 13.333 1.00 0.00 H new ATOM 846 N GLY A 59 -8.105 -9.819 10.986 1.00 0.00 N ATOM 847 CA GLY A 59 -9.134 -9.661 9.974 1.00 0.00 C ATOM 848 C GLY A 59 -9.072 -8.308 9.291 1.00 0.00 C ATOM 849 O GLY A 59 -9.516 -8.160 8.152 1.00 0.00 O ATOM 0 H GLY A 59 -7.205 -10.145 10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.028 -10.447 9.227 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.114 -9.788 10.434 1.00 0.00 H new ATOM 853 N SER A 60 -8.520 -7.320 9.988 1.00 0.00 N ATOM 854 CA SER A 60 -8.406 -5.972 9.443 1.00 0.00 C ATOM 855 C SER A 60 -7.991 -6.013 7.975 1.00 0.00 C ATOM 856 O SER A 60 -6.883 -6.433 7.644 1.00 0.00 O ATOM 857 CB SER A 60 -7.392 -5.158 10.249 1.00 0.00 C ATOM 858 OG SER A 60 -7.265 -3.845 9.730 1.00 0.00 O ATOM 0 H SER A 60 -8.145 -7.427 10.930 1.00 0.00 H new ATOM 0 HA SER A 60 -9.383 -5.494 9.513 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.705 -5.112 11.292 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.423 -5.656 10.229 1.00 0.00 H new ATOM 0 HG SER A 60 -6.613 -3.344 10.263 1.00 0.00 H new ATOM 864 N ASP A 61 -8.889 -5.573 7.101 1.00 0.00 N ATOM 865 CA ASP A 61 -8.618 -5.557 5.668 1.00 0.00 C ATOM 866 C ASP A 61 -8.168 -4.172 5.215 1.00 0.00 C ATOM 867 O ASP A 61 -8.542 -3.706 4.139 1.00 0.00 O ATOM 868 CB ASP A 61 -9.861 -5.983 4.887 1.00 0.00 C ATOM 869 CG ASP A 61 -11.129 -5.346 5.422 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.519 -5.670 6.562 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.730 -4.523 4.700 1.00 0.00 O ATOM 0 H ASP A 61 -9.811 -5.222 7.360 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.813 -6.264 5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.737 -5.713 3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.958 -7.068 4.928 1.00 0.00 H new ATOM 876 N THR A 62 -7.364 -3.515 6.045 1.00 0.00 N ATOM 877 CA THR A 62 -6.865 -2.182 5.732 1.00 0.00 C ATOM 878 C THR A 62 -5.341 -2.145 5.757 1.00 0.00 C ATOM 879 O THR A 62 -4.723 -2.308 6.809 1.00 0.00 O ATOM 880 CB THR A 62 -7.408 -1.132 6.720 1.00 0.00 C ATOM 881 OG1 THR A 62 -8.835 -1.067 6.628 1.00 0.00 O ATOM 882 CG2 THR A 62 -6.813 0.238 6.435 1.00 0.00 C ATOM 0 H THR A 62 -7.044 -3.885 6.940 1.00 0.00 H new ATOM 0 HA THR A 62 -7.216 -1.942 4.728 1.00 0.00 H new ATOM 0 HB THR A 62 -7.122 -1.431 7.728 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.173 -0.399 7.260 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.211 0.963 7.145 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.728 0.191 6.534 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.072 0.543 5.421 1.00 0.00 H new ATOM 890 N VAL A 63 -4.740 -1.930 4.591 1.00 0.00 N ATOM 891 CA VAL A 63 -3.287 -1.870 4.479 1.00 0.00 C ATOM 892 C VAL A 63 -2.787 -0.433 4.581 1.00 0.00 C ATOM 893 O VAL A 63 -2.914 0.348 3.639 1.00 0.00 O ATOM 894 CB VAL A 63 -2.801 -2.477 3.150 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.286 -2.401 3.051 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.280 -3.915 3.015 1.00 0.00 C ATOM 0 H VAL A 63 -5.237 -1.794 3.710 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.882 -2.453 5.306 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.225 -1.898 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.961 -2.835 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.970 -1.359 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.839 -2.955 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.928 -4.329 2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.887 -4.509 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.369 -3.939 3.038 1.00 0.00 H new ATOM 906 N VAL A 64 -2.217 -0.091 5.732 1.00 0.00 N ATOM 907 CA VAL A 64 -1.696 1.252 5.958 1.00 0.00 C ATOM 908 C VAL A 64 -0.257 1.372 5.466 1.00 0.00 C ATOM 909 O VAL A 64 0.638 0.688 5.963 1.00 0.00 O ATOM 910 CB VAL A 64 -1.751 1.632 7.450 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.208 3.037 7.663 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.172 1.513 7.977 1.00 0.00 C ATOM 0 H VAL A 64 -2.104 -0.726 6.523 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.329 1.937 5.394 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.123 0.938 8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.255 3.288 8.723 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.173 3.082 7.325 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.807 3.749 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.193 1.785 9.032 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.825 2.182 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.519 0.486 7.860 1.00 0.00 H new ATOM 922 N ILE A 65 -0.044 2.247 4.489 1.00 0.00 N ATOM 923 CA ILE A 65 1.286 2.458 3.931 1.00 0.00 C ATOM 924 C ILE A 65 1.821 3.839 4.294 1.00 0.00 C ATOM 925 O ILE A 65 1.076 4.820 4.315 1.00 0.00 O ATOM 926 CB ILE A 65 1.284 2.307 2.399 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.668 0.966 1.997 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.700 2.430 1.853 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.312 0.880 0.530 1.00 0.00 C ATOM 0 H ILE A 65 -0.775 2.821 4.068 1.00 0.00 H new ATOM 0 HA ILE A 65 1.934 1.695 4.362 1.00 0.00 H new ATOM 0 HB ILE A 65 0.679 3.106 1.971 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.368 0.167 2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.230 0.795 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.683 2.321 0.769 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.107 3.407 2.113 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.326 1.650 2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.120 -0.098 0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.412 1.657 0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.211 1.019 -0.071 1.00 0.00 H new ATOM 941 N ARG A 66 3.118 3.910 4.578 1.00 0.00 N ATOM 942 CA ARG A 66 3.753 5.172 4.940 1.00 0.00 C ATOM 943 C ARG A 66 4.925 5.475 4.012 1.00 0.00 C ATOM 944 O ARG A 66 5.679 4.580 3.633 1.00 0.00 O ATOM 945 CB ARG A 66 4.235 5.127 6.391 1.00 0.00 C ATOM 946 CG ARG A 66 3.190 5.587 7.394 1.00 0.00 C ATOM 947 CD ARG A 66 3.414 4.956 8.760 1.00 0.00 C ATOM 948 NE ARG A 66 4.554 5.547 9.456 1.00 0.00 N ATOM 949 CZ ARG A 66 4.945 5.180 10.671 1.00 0.00 C ATOM 950 NH1 ARG A 66 4.291 4.227 11.321 1.00 0.00 N ATOM 951 NH2 ARG A 66 5.992 5.765 11.237 1.00 0.00 N ATOM 0 H ARG A 66 3.749 3.109 4.564 1.00 0.00 H new ATOM 0 HA ARG A 66 3.014 5.966 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.536 4.108 6.634 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.122 5.753 6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.223 6.673 7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.196 5.327 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.517 5.077 9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.577 3.885 8.642 1.00 0.00 H new ATOM 0 HE ARG A 66 5.079 6.282 8.983 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.486 3.774 10.888 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.593 3.947 12.254 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.498 6.498 10.739 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.291 5.482 12.170 1.00 0.00 H new ATOM 965 N GLY A 67 5.073 6.746 3.649 1.00 0.00 N ATOM 966 CA GLY A 67 6.155 7.145 2.768 1.00 0.00 C ATOM 967 C GLY A 67 5.769 8.296 1.859 1.00 0.00 C ATOM 968 O GLY A 67 4.680 8.860 1.966 1.00 0.00 O ATOM 0 H GLY A 67 4.463 7.506 3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.019 7.433 3.367 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.458 6.292 2.160 1.00 0.00 H new ATOM 972 N PRO A 68 6.677 8.660 0.942 1.00 0.00 N ATOM 973 CA PRO A 68 6.448 9.755 -0.006 1.00 0.00 C ATOM 974 C PRO A 68 5.390 9.409 -1.047 1.00 0.00 C ATOM 975 O PRO A 68 5.580 8.506 -1.862 1.00 0.00 O ATOM 976 CB PRO A 68 7.815 9.939 -0.671 1.00 0.00 C ATOM 977 CG PRO A 68 8.481 8.613 -0.541 1.00 0.00 C ATOM 978 CD PRO A 68 7.996 8.032 0.759 1.00 0.00 C ATOM 0 HA PRO A 68 6.075 10.652 0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.711 10.229 -1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.392 10.722 -0.179 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.225 7.964 -1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.566 8.719 -0.540 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.921 6.946 0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.671 8.268 1.581 1.00 0.00 H new ATOM 986 N SER A 69 4.276 10.133 -1.015 1.00 0.00 N ATOM 987 CA SER A 69 3.186 9.899 -1.956 1.00 0.00 C ATOM 988 C SER A 69 3.725 9.475 -3.318 1.00 0.00 C ATOM 989 O SER A 69 3.106 8.678 -4.022 1.00 0.00 O ATOM 990 CB SER A 69 2.332 11.161 -2.103 1.00 0.00 C ATOM 991 OG SER A 69 3.143 12.303 -2.315 1.00 0.00 O ATOM 0 H SER A 69 4.104 10.886 -0.349 1.00 0.00 H new ATOM 0 HA SER A 69 2.567 9.093 -1.563 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.641 11.041 -2.938 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.728 11.301 -1.207 1.00 0.00 H new ATOM 0 HG SER A 69 2.574 13.096 -2.407 1.00 0.00 H new ATOM 997 N SER A 70 4.884 10.013 -3.683 1.00 0.00 N ATOM 998 CA SER A 70 5.507 9.694 -4.962 1.00 0.00 C ATOM 999 C SER A 70 5.721 8.190 -5.103 1.00 0.00 C ATOM 1000 O SER A 70 5.343 7.589 -6.108 1.00 0.00 O ATOM 1001 CB SER A 70 6.843 10.426 -5.100 1.00 0.00 C ATOM 1002 OG SER A 70 6.648 11.775 -5.488 1.00 0.00 O ATOM 0 H SER A 70 5.411 10.672 -3.110 1.00 0.00 H new ATOM 0 HA SER A 70 4.837 10.024 -5.756 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.380 10.391 -4.152 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.465 9.918 -5.837 1.00 0.00 H new ATOM 0 HG SER A 70 7.517 12.221 -5.568 1.00 0.00 H new ATOM 1008 N ASP A 71 6.329 7.589 -4.086 1.00 0.00 N ATOM 1009 CA ASP A 71 6.593 6.155 -4.094 1.00 0.00 C ATOM 1010 C ASP A 71 5.357 5.372 -3.663 1.00 0.00 C ATOM 1011 O ASP A 71 5.135 4.246 -4.110 1.00 0.00 O ATOM 1012 CB ASP A 71 7.768 5.826 -3.169 1.00 0.00 C ATOM 1013 CG ASP A 71 9.086 6.358 -3.697 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.546 5.866 -4.749 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.656 7.266 -3.059 1.00 0.00 O ATOM 0 H ASP A 71 6.648 8.072 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 71 6.849 5.864 -5.113 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.579 6.247 -2.182 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.839 4.745 -3.046 1.00 0.00 H new ATOM 1020 N VAL A 72 4.555 5.975 -2.792 1.00 0.00 N ATOM 1021 CA VAL A 72 3.341 5.334 -2.300 1.00 0.00 C ATOM 1022 C VAL A 72 2.372 5.045 -3.442 1.00 0.00 C ATOM 1023 O VAL A 72 1.868 3.929 -3.573 1.00 0.00 O ATOM 1024 CB VAL A 72 2.630 6.209 -1.250 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.422 5.483 -0.679 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.598 6.601 -0.143 1.00 0.00 C ATOM 0 H VAL A 72 4.724 6.907 -2.412 1.00 0.00 H new ATOM 0 HA VAL A 72 3.644 4.396 -1.836 1.00 0.00 H new ATOM 0 HB VAL A 72 2.280 7.119 -1.737 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.933 6.117 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.721 5.255 -1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.745 4.556 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.081 7.219 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.978 5.702 0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.429 7.163 -0.569 1.00 0.00 H new ATOM 1036 N GLU A 73 2.117 6.056 -4.266 1.00 0.00 N ATOM 1037 CA GLU A 73 1.208 5.908 -5.396 1.00 0.00 C ATOM 1038 C GLU A 73 1.619 4.731 -6.275 1.00 0.00 C ATOM 1039 O GLU A 73 0.779 4.086 -6.903 1.00 0.00 O ATOM 1040 CB GLU A 73 1.179 7.193 -6.227 1.00 0.00 C ATOM 1041 CG GLU A 73 2.433 7.410 -7.057 1.00 0.00 C ATOM 1042 CD GLU A 73 2.189 8.295 -8.264 1.00 0.00 C ATOM 1043 OE1 GLU A 73 2.117 9.529 -8.090 1.00 0.00 O ATOM 1044 OE2 GLU A 73 2.070 7.752 -9.382 1.00 0.00 O ATOM 0 H GLU A 73 2.527 6.985 -4.172 1.00 0.00 H new ATOM 0 HA GLU A 73 0.210 5.714 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.314 7.167 -6.890 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.043 8.044 -5.560 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.204 7.860 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.815 6.445 -7.390 1.00 0.00 H new ATOM 1051 N LYS A 74 2.918 4.456 -6.316 1.00 0.00 N ATOM 1052 CA LYS A 74 3.444 3.356 -7.117 1.00 0.00 C ATOM 1053 C LYS A 74 3.354 2.038 -6.354 1.00 0.00 C ATOM 1054 O LYS A 74 3.043 0.997 -6.932 1.00 0.00 O ATOM 1055 CB LYS A 74 4.897 3.632 -7.509 1.00 0.00 C ATOM 1056 CG LYS A 74 5.061 4.831 -8.427 1.00 0.00 C ATOM 1057 CD LYS A 74 6.523 5.083 -8.760 1.00 0.00 C ATOM 1058 CE LYS A 74 7.063 4.035 -9.721 1.00 0.00 C ATOM 1059 NZ LYS A 74 6.826 4.412 -11.143 1.00 0.00 N ATOM 0 H LYS A 74 3.627 4.980 -5.803 1.00 0.00 H new ATOM 0 HA LYS A 74 2.840 3.276 -8.021 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.484 3.794 -6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.306 2.749 -8.001 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.501 4.665 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.638 5.715 -7.951 1.00 0.00 H new ATOM 0 HD2 LYS A 74 6.631 6.074 -9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.113 5.076 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.132 3.905 -9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.589 3.075 -9.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.208 3.673 -11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.804 4.512 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.300 5.315 -11.346 1.00 0.00 H new ATOM 1073 N ALA A 75 3.627 2.091 -5.055 1.00 0.00 N ATOM 1074 CA ALA A 75 3.575 0.901 -4.215 1.00 0.00 C ATOM 1075 C ALA A 75 2.151 0.365 -4.112 1.00 0.00 C ATOM 1076 O ALA A 75 1.931 -0.847 -4.101 1.00 0.00 O ATOM 1077 CB ALA A 75 4.125 1.208 -2.830 1.00 0.00 C ATOM 0 H ALA A 75 3.886 2.945 -4.561 1.00 0.00 H new ATOM 0 HA ALA A 75 4.194 0.132 -4.678 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.080 0.310 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.160 1.539 -2.915 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.529 1.995 -2.368 1.00 0.00 H new ATOM 1083 N LYS A 76 1.184 1.274 -4.036 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.219 0.893 -3.936 1.00 0.00 C ATOM 1085 C LYS A 76 -0.694 0.222 -5.220 1.00 0.00 C ATOM 1086 O LYS A 76 -1.236 -0.883 -5.192 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.082 2.122 -3.641 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.568 1.819 -3.570 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.233 1.971 -4.928 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.681 2.419 -4.793 1.00 0.00 C ATOM 1091 NZ LYS A 76 -4.808 3.902 -4.816 1.00 0.00 N ATOM 0 H LYS A 76 1.348 2.281 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.319 0.181 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.764 2.560 -2.695 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.909 2.871 -4.414 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.716 0.803 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.043 2.489 -2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.681 2.696 -5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.193 1.022 -5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.270 1.992 -5.604 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.095 2.034 -3.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -5.809 4.166 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -4.267 4.309 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.437 4.268 -5.716 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.487 0.896 -6.346 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.892 0.364 -7.642 1.00 0.00 C ATOM 1107 C LYS A 77 -0.280 -1.013 -7.880 1.00 0.00 C ATOM 1108 O LYS A 77 -0.852 -1.842 -8.587 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.475 1.320 -8.762 1.00 0.00 C ATOM 1110 CG LYS A 77 0.999 1.233 -9.118 1.00 0.00 C ATOM 1111 CD LYS A 77 1.280 1.837 -10.483 1.00 0.00 C ATOM 1112 CE LYS A 77 1.161 0.798 -11.589 1.00 0.00 C ATOM 1113 NZ LYS A 77 1.951 1.176 -12.793 1.00 0.00 N ATOM 0 H LYS A 77 -0.041 1.812 -6.387 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.977 0.265 -7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.068 1.106 -9.651 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.708 2.342 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.588 1.752 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.315 0.190 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.582 2.652 -10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.282 2.267 -10.492 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.504 -0.168 -11.218 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.113 0.680 -11.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.844 0.443 -13.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.607 2.085 -13.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.955 1.264 -12.536 1.00 0.00 H new ATOM 1127 N GLN A 78 0.884 -1.249 -7.285 1.00 0.00 N ATOM 1128 CA GLN A 78 1.572 -2.526 -7.432 1.00 0.00 C ATOM 1129 C GLN A 78 0.945 -3.588 -6.535 1.00 0.00 C ATOM 1130 O GLN A 78 0.828 -4.752 -6.923 1.00 0.00 O ATOM 1131 CB GLN A 78 3.058 -2.371 -7.098 1.00 0.00 C ATOM 1132 CG GLN A 78 3.875 -1.765 -8.227 1.00 0.00 C ATOM 1133 CD GLN A 78 5.353 -1.692 -7.903 1.00 0.00 C ATOM 1134 OE1 GLN A 78 5.941 -2.655 -7.409 1.00 0.00 O ATOM 1135 NE2 GLN A 78 5.965 -0.546 -8.179 1.00 0.00 N ATOM 0 H GLN A 78 1.371 -0.573 -6.697 1.00 0.00 H new ATOM 0 HA GLN A 78 1.472 -2.847 -8.469 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.159 -1.745 -6.211 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.469 -3.349 -6.847 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.734 -2.357 -9.131 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.504 -0.763 -8.442 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.440 0.227 -8.588 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.960 -0.439 -7.982 1.00 0.00 H new ATOM 1144 N LEU A 79 0.545 -3.182 -5.336 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.070 -4.100 -4.384 1.00 0.00 C ATOM 1146 C LEU A 79 -1.415 -4.601 -4.901 1.00 0.00 C ATOM 1147 O LEU A 79 -1.702 -5.798 -4.858 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.256 -3.412 -3.030 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.186 -4.319 -1.801 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.250 -4.463 -1.325 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.067 -3.775 -0.686 1.00 0.00 C ATOM 0 H LEU A 79 0.635 -2.223 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 79 0.593 -4.956 -4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.506 -2.639 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.223 -2.909 -3.031 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.555 -5.306 -2.080 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.280 -5.112 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.855 -4.898 -2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.647 -3.482 -1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.005 -4.433 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.728 -2.777 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.100 -3.725 -1.030 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.235 -3.678 -5.391 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.550 -4.027 -5.920 1.00 0.00 C ATOM 1165 C LEU A 80 -3.428 -5.015 -7.075 1.00 0.00 C ATOM 1166 O LEU A 80 -4.240 -5.931 -7.211 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.284 -2.768 -6.386 1.00 0.00 C ATOM 1168 CG LEU A 80 -5.149 -2.069 -5.337 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.279 -1.322 -4.338 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -6.134 -1.119 -6.005 1.00 0.00 C ATOM 0 H LEU A 80 -2.014 -2.683 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.122 -4.500 -5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.545 -2.055 -6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.918 -3.033 -7.232 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.715 -2.828 -4.797 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.913 -0.831 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.615 -2.026 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.685 -0.573 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.742 -0.630 -5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.586 -0.366 -6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.780 -1.680 -6.680 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.406 -4.825 -7.904 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.176 -5.703 -9.046 1.00 0.00 C ATOM 1184 C HIS A 81 -1.874 -7.126 -8.587 1.00 0.00 C ATOM 1185 O HIS A 81 -2.531 -8.078 -9.009 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.022 -5.174 -9.898 1.00 0.00 C ATOM 1187 CG HIS A 81 -0.959 -5.780 -11.266 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -1.966 -5.642 -12.198 1.00 0.00 N ATOM 1189 CD2 HIS A 81 0.000 -6.530 -11.859 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.631 -6.282 -13.303 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.443 -6.829 -13.124 1.00 0.00 N ATOM 0 H HIS A 81 -1.725 -4.072 -7.806 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.085 -5.720 -9.648 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.118 -4.092 -9.993 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.082 -5.366 -9.381 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.938 -6.836 -11.419 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.228 -6.347 -14.201 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.064 -7.384 -13.814 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.876 -7.264 -7.721 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.486 -8.572 -7.204 1.00 0.00 C ATOM 1201 C LEU A 82 -1.639 -9.223 -6.447 1.00 0.00 C ATOM 1202 O LEU A 82 -2.076 -10.322 -6.788 1.00 0.00 O ATOM 1203 CB LEU A 82 0.731 -8.437 -6.288 1.00 0.00 C ATOM 1204 CG LEU A 82 1.923 -7.671 -6.863 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.859 -7.228 -5.749 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.667 -8.526 -7.879 1.00 0.00 C ATOM 0 H LEU A 82 -0.322 -6.487 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.227 -9.209 -8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.416 -7.942 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.066 -9.437 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 82 1.549 -6.782 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.702 -6.684 -6.176 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.321 -6.579 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.226 -8.103 -5.213 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.512 -7.965 -8.278 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.030 -9.433 -7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.993 -8.793 -8.693 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.127 -8.537 -5.419 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.231 -9.047 -4.615 1.00 0.00 C ATOM 1220 C ALA A 83 -4.209 -9.846 -5.471 1.00 0.00 C ATOM 1221 O ALA A 83 -4.531 -10.990 -5.155 1.00 0.00 O ATOM 1222 CB ALA A 83 -3.950 -7.901 -3.920 1.00 0.00 C ATOM 0 H ALA A 83 -1.775 -7.626 -5.123 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.820 -9.716 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.772 -8.296 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.251 -7.373 -3.271 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.343 -7.211 -4.667 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.678 -9.233 -6.554 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.621 -9.889 -7.453 1.00 0.00 C ATOM 1230 C GLU A 84 -4.953 -11.044 -8.193 1.00 0.00 C ATOM 1231 O GLU A 84 -5.511 -12.137 -8.291 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.184 -8.882 -8.458 1.00 0.00 C ATOM 1233 CG GLU A 84 -6.908 -7.715 -7.810 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.323 -8.067 -7.391 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -9.027 -8.733 -8.177 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -8.725 -7.674 -6.275 1.00 0.00 O ATOM 0 H GLU A 84 -4.421 -8.285 -6.830 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.438 -10.289 -6.853 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.368 -8.498 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.871 -9.397 -9.129 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.346 -7.383 -6.937 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.937 -6.878 -8.507 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.755 -10.793 -8.713 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.012 -11.812 -9.445 1.00 0.00 C ATOM 1245 C GLU A 85 -2.928 -13.107 -8.641 1.00 0.00 C ATOM 1246 O GLU A 85 -3.308 -14.175 -9.121 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.604 -11.311 -9.774 1.00 0.00 C ATOM 1248 CG GLU A 85 -1.529 -10.512 -11.063 1.00 0.00 C ATOM 1249 CD GLU A 85 -2.159 -11.237 -12.237 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -2.017 -12.475 -12.314 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -2.794 -10.566 -13.078 1.00 0.00 O ATOM 0 H GLU A 85 -3.279 -9.894 -8.641 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.544 -12.015 -10.374 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.246 -10.692 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.931 -12.165 -9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.029 -9.554 -10.922 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.485 -10.296 -11.292 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.426 -13.004 -7.415 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.292 -14.165 -6.543 1.00 0.00 C ATOM 1260 C LYS A 86 -3.555 -15.019 -6.575 1.00 0.00 C ATOM 1261 O LYS A 86 -3.525 -16.171 -7.007 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.001 -13.719 -5.108 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.520 -13.590 -4.800 1.00 0.00 C ATOM 1264 CD LYS A 86 0.133 -12.509 -5.646 1.00 0.00 C ATOM 1265 CE LYS A 86 1.624 -12.762 -5.818 1.00 0.00 C ATOM 1266 NZ LYS A 86 2.140 -12.186 -7.091 1.00 0.00 N ATOM 0 H LYS A 86 -2.105 -12.128 -7.003 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.459 -14.767 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.486 -12.759 -4.929 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.446 -14.434 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.386 -13.357 -3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.025 -14.544 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.346 -12.472 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.021 -11.537 -5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.166 -12.329 -4.977 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.815 -13.835 -5.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.180 -12.212 -7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.782 -12.742 -7.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.819 -11.201 -7.182 1.00 0.00 H new ATOM 1280 N GLN A 87 -4.664 -14.445 -6.117 1.00 0.00 N ATOM 1281 CA GLN A 87 -5.938 -15.156 -6.094 1.00 0.00 C ATOM 1282 C GLN A 87 -6.431 -15.433 -7.510 1.00 0.00 C ATOM 1283 O GLN A 87 -6.214 -14.635 -8.423 1.00 0.00 O ATOM 1284 CB GLN A 87 -6.983 -14.346 -5.327 1.00 0.00 C ATOM 1285 CG GLN A 87 -7.390 -13.060 -6.027 1.00 0.00 C ATOM 1286 CD GLN A 87 -8.638 -12.439 -5.429 1.00 0.00 C ATOM 1287 OE1 GLN A 87 -9.375 -13.090 -4.688 1.00 0.00 O ATOM 1288 NE2 GLN A 87 -8.881 -11.173 -5.747 1.00 0.00 N ATOM 0 H GLN A 87 -4.706 -13.491 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 87 -5.785 -16.110 -5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.869 -14.963 -5.175 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.590 -14.104 -4.340 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.570 -12.345 -5.970 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.561 -13.265 -7.084 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.243 -10.671 -6.365 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.705 -10.703 -5.373 1.00 0.00 H new ATOM 1297 N THR A 88 -7.095 -16.571 -7.688 1.00 0.00 N ATOM 1298 CA THR A 88 -7.618 -16.954 -8.993 1.00 0.00 C ATOM 1299 C THR A 88 -9.002 -16.359 -9.228 1.00 0.00 C ATOM 1300 O THR A 88 -9.844 -16.345 -8.329 1.00 0.00 O ATOM 1301 CB THR A 88 -7.700 -18.486 -9.138 1.00 0.00 C ATOM 1302 OG1 THR A 88 -6.431 -19.075 -8.827 1.00 0.00 O ATOM 1303 CG2 THR A 88 -8.112 -18.875 -10.548 1.00 0.00 C ATOM 0 H THR A 88 -7.283 -17.243 -6.944 1.00 0.00 H new ATOM 0 HA THR A 88 -6.925 -16.562 -9.738 1.00 0.00 H new ATOM 0 HB THR A 88 -8.453 -18.855 -8.442 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.491 -20.049 -8.920 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.163 -19.961 -10.626 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.090 -18.449 -10.772 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.379 -18.494 -11.259 1.00 0.00 H new ATOM 1311 N LYS A 89 -9.232 -15.868 -10.440 1.00 0.00 N ATOM 1312 CA LYS A 89 -10.514 -15.272 -10.795 1.00 0.00 C ATOM 1313 C LYS A 89 -11.089 -15.925 -12.049 1.00 0.00 C ATOM 1314 O LYS A 89 -12.300 -16.115 -12.160 1.00 0.00 O ATOM 1315 CB LYS A 89 -10.357 -13.767 -11.018 1.00 0.00 C ATOM 1316 CG LYS A 89 -9.312 -13.412 -12.063 1.00 0.00 C ATOM 1317 CD LYS A 89 -7.930 -13.278 -11.445 1.00 0.00 C ATOM 1318 CE LYS A 89 -6.939 -12.669 -12.426 1.00 0.00 C ATOM 1319 NZ LYS A 89 -6.564 -13.628 -13.501 1.00 0.00 N ATOM 0 H LYS A 89 -8.546 -15.871 -11.195 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.205 -15.440 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.318 -13.351 -11.321 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.089 -13.294 -10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.293 -14.180 -12.836 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.586 -12.476 -12.550 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.988 -12.656 -10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -7.575 -14.259 -11.128 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.373 -11.774 -12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.043 -12.355 -11.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.888 -13.176 -14.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.127 -14.471 -13.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.415 -13.908 -14.029 1.00 0.00 H new ATOM 1333 N SER A 90 -10.213 -16.266 -12.987 1.00 0.00 N ATOM 1334 CA SER A 90 -10.634 -16.896 -14.234 1.00 0.00 C ATOM 1335 C SER A 90 -9.555 -17.838 -14.759 1.00 0.00 C ATOM 1336 O SER A 90 -8.446 -17.887 -14.227 1.00 0.00 O ATOM 1337 CB SER A 90 -10.953 -15.831 -15.285 1.00 0.00 C ATOM 1338 OG SER A 90 -9.805 -15.061 -15.595 1.00 0.00 O ATOM 0 H SER A 90 -9.207 -16.117 -12.908 1.00 0.00 H new ATOM 0 HA SER A 90 -11.533 -17.479 -14.032 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.329 -16.309 -16.189 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.744 -15.178 -14.917 1.00 0.00 H new ATOM 0 HG SER A 90 -10.035 -14.389 -16.270 1.00 0.00 H new ATOM 1344 N GLY A 91 -9.889 -18.586 -15.806 1.00 0.00 N ATOM 1345 CA GLY A 91 -8.938 -19.516 -16.386 1.00 0.00 C ATOM 1346 C GLY A 91 -9.432 -20.949 -16.345 1.00 0.00 C ATOM 1347 O GLY A 91 -10.630 -21.213 -16.247 1.00 0.00 O ATOM 0 H GLY A 91 -10.801 -18.565 -16.263 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.741 -19.232 -17.420 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.992 -19.445 -15.850 1.00 0.00 H new ATOM 1351 N PRO A 92 -8.493 -21.905 -16.421 1.00 0.00 N ATOM 1352 CA PRO A 92 -8.815 -23.334 -16.395 1.00 0.00 C ATOM 1353 C PRO A 92 -9.309 -23.792 -15.027 1.00 0.00 C ATOM 1354 O PRO A 92 -8.650 -23.570 -14.012 1.00 0.00 O ATOM 1355 CB PRO A 92 -7.481 -24.005 -16.734 1.00 0.00 C ATOM 1356 CG PRO A 92 -6.445 -23.022 -16.310 1.00 0.00 C ATOM 1357 CD PRO A 92 -7.045 -21.663 -16.539 1.00 0.00 C ATOM 0 HA PRO A 92 -9.620 -23.583 -17.086 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.368 -24.952 -16.206 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.407 -24.224 -17.799 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.182 -23.161 -15.261 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.529 -23.147 -16.888 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -6.697 -20.940 -15.801 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -6.782 -21.268 -17.520 1.00 0.00 H new ATOM 1365 N SER A 93 -10.473 -24.433 -15.007 1.00 0.00 N ATOM 1366 CA SER A 93 -11.057 -24.920 -13.763 1.00 0.00 C ATOM 1367 C SER A 93 -10.488 -26.287 -13.393 1.00 0.00 C ATOM 1368 O SER A 93 -10.666 -27.264 -14.121 1.00 0.00 O ATOM 1369 CB SER A 93 -12.579 -25.005 -13.888 1.00 0.00 C ATOM 1370 OG SER A 93 -13.125 -23.773 -14.324 1.00 0.00 O ATOM 0 H SER A 93 -11.031 -24.627 -15.839 1.00 0.00 H new ATOM 0 HA SER A 93 -10.804 -24.215 -12.972 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.846 -25.794 -14.592 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.011 -25.277 -12.925 1.00 0.00 H new ATOM 0 HG SER A 93 -14.099 -23.854 -14.397 1.00 0.00 H new ATOM 1376 N SER A 94 -9.801 -26.348 -12.256 1.00 0.00 N ATOM 1377 CA SER A 94 -9.202 -27.593 -11.791 1.00 0.00 C ATOM 1378 C SER A 94 -10.230 -28.719 -11.779 1.00 0.00 C ATOM 1379 O SER A 94 -9.982 -29.809 -12.294 1.00 0.00 O ATOM 1380 CB SER A 94 -8.614 -27.408 -10.392 1.00 0.00 C ATOM 1381 OG SER A 94 -7.519 -26.509 -10.413 1.00 0.00 O ATOM 0 H SER A 94 -9.646 -25.550 -11.640 1.00 0.00 H new ATOM 0 HA SER A 94 -8.402 -27.863 -12.481 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.384 -27.033 -9.718 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.289 -28.372 -10.000 1.00 0.00 H new ATOM 0 HG SER A 94 -7.162 -26.407 -9.506 1.00 0.00 H new ATOM 1387 N GLY A 95 -11.389 -28.448 -11.185 1.00 0.00 N ATOM 1388 CA GLY A 95 -12.439 -29.447 -11.114 1.00 0.00 C ATOM 1389 C GLY A 95 -12.538 -30.088 -9.744 1.00 0.00 C ATOM 1390 O GLY A 95 -13.198 -31.115 -9.579 1.00 0.00 O ATOM 0 H GLY A 95 -11.619 -27.554 -10.752 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.394 -28.985 -11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.253 -30.219 -11.860 1.00 0.00 H new TER 1394 GLY A 95