USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 633 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 HIS : no HD1:sc= -13.4! C(o=-17!,f=-19!) USER MOD Set 1.2: A 48 SER OG : rot 48:sc= -3.3! USER MOD Set 2.1: A 28 SER OG : rot 72:sc= 0.495 USER MOD Set 2.2: A 29 SER OG : rot -58:sc= -0.352! USER MOD Set 3.1: A 10 TYR OH : rot 0:sc= -5.48! USER MOD Set 3.2: A 39 HIS : no HD1:sc= -24.8! C(o=-37!,f=-40!) USER MOD Set 3.3: A 43 MET CE :methyl -112:sc= -6.34! (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0166) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 6 SER OG : rot 55:sc= 0.294 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.73! USER MOD Single : A 17 GLN : amide:sc= -0.485 X(o=-0.48,f=-0.31) USER MOD Single : A 20 THR OG1 : rot 72:sc= 0.513 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot -124:sc= -3.59! USER MOD Single : A 24 ASN :FLIP amide:sc= -0.0157 F(o=-2.4,f=-0.016) USER MOD Single : A 27 THR OG1 : rot 115:sc= 0.547 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 53:sc= -1.82! USER MOD Single : A 50 SER OG : rot 180:sc= 0.14 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0.0288 USER MOD Single : A 65 SER OG : rot 130:sc= -1.94! USER MOD Single : A 69 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.97!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -103:sc= -0.167 (180deg=-0.662) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= -0.147 (180deg=-0.328) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc=-0.00593 (180deg=-0.00593) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.836 -2.156 -11.072 1.00 0.00 N ATOM 2 CA MET A 1 13.636 -3.135 -12.122 1.00 0.00 C ATOM 3 C MET A 1 12.872 -4.333 -11.575 1.00 0.00 C ATOM 4 O MET A 1 11.837 -4.712 -12.119 1.00 0.00 O ATOM 5 CB MET A 1 14.989 -3.567 -12.678 1.00 0.00 C ATOM 6 CG MET A 1 15.569 -2.444 -13.534 1.00 0.00 C ATOM 7 SD MET A 1 16.866 -2.985 -14.676 1.00 0.00 S ATOM 8 CE MET A 1 18.130 -1.751 -14.284 1.00 0.00 C ATOM 0 H1 MET A 1 14.298 -1.312 -11.467 1.00 0.00 H new ATOM 0 H2 MET A 1 12.916 -1.889 -10.666 1.00 0.00 H new ATOM 0 H3 MET A 1 14.438 -2.563 -10.328 1.00 0.00 H new ATOM 0 HA MET A 1 13.050 -2.693 -12.928 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.670 -3.805 -11.861 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.877 -4.473 -13.274 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.763 -1.984 -14.106 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.974 -1.673 -12.878 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.013 -1.927 -14.898 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.740 -0.754 -14.487 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.399 -1.828 -13.230 1.00 0.00 H new ATOM 18 N GLU A 2 13.333 -4.942 -10.526 1.00 1.00 N ATOM 19 CA GLU A 2 12.618 -6.119 -9.957 1.00 1.00 C ATOM 20 C GLU A 2 11.119 -5.825 -9.882 1.00 1.00 C ATOM 21 O GLU A 2 10.338 -6.335 -10.661 1.00 1.00 O ATOM 22 CB GLU A 2 13.154 -6.408 -8.552 1.00 1.00 C ATOM 23 CG GLU A 2 13.258 -7.919 -8.345 1.00 1.00 C ATOM 24 CD GLU A 2 13.105 -8.244 -6.858 1.00 1.00 C ATOM 25 OE1 GLU A 2 12.402 -7.510 -6.181 1.00 1.00 O ATOM 26 OE2 GLU A 2 13.692 -9.218 -6.418 1.00 1.00 O ATOM 0 H GLU A 2 14.183 -4.675 -10.030 1.00 1.00 H new ATOM 0 HA GLU A 2 12.782 -6.986 -10.596 1.00 1.00 H new ATOM 0 HB2 GLU A 2 14.132 -5.945 -8.422 1.00 1.00 H new ATOM 0 HB3 GLU A 2 12.493 -5.973 -7.803 1.00 1.00 H new ATOM 0 HG2 GLU A 2 12.486 -8.429 -8.921 1.00 1.00 H new ATOM 0 HG3 GLU A 2 14.219 -8.281 -8.710 1.00 1.00 H new ATOM 33 N LEU A 3 10.707 -5.015 -8.946 1.00 1.00 N ATOM 34 CA LEU A 3 9.284 -4.689 -8.800 1.00 1.00 C ATOM 35 C LEU A 3 8.873 -3.658 -9.847 1.00 1.00 C ATOM 36 O LEU A 3 9.476 -3.535 -10.895 1.00 1.00 O ATOM 37 CB LEU A 3 9.115 -4.111 -7.407 1.00 1.00 C ATOM 38 CG LEU A 3 8.200 -5.003 -6.589 1.00 1.00 C ATOM 39 CD1 LEU A 3 8.535 -4.858 -5.103 1.00 1.00 C ATOM 40 CD2 LEU A 3 6.768 -4.573 -6.833 1.00 1.00 C ATOM 0 H LEU A 3 11.320 -4.562 -8.268 1.00 1.00 H new ATOM 0 HA LEU A 3 8.660 -5.572 -8.940 1.00 1.00 H new ATOM 0 HB2 LEU A 3 10.086 -4.025 -6.919 1.00 1.00 H new ATOM 0 HB3 LEU A 3 8.698 -3.106 -7.468 1.00 1.00 H new ATOM 0 HG LEU A 3 8.333 -6.045 -6.881 1.00 1.00 H new ATOM 0 HD11 LEU A 3 7.877 -5.500 -4.517 1.00 1.00 H new ATOM 0 HD12 LEU A 3 9.571 -5.150 -4.933 1.00 1.00 H new ATOM 0 HD13 LEU A 3 8.396 -3.821 -4.798 1.00 1.00 H new ATOM 0 HD21 LEU A 3 6.095 -5.204 -6.252 1.00 1.00 H new ATOM 0 HD22 LEU A 3 6.643 -3.534 -6.529 1.00 1.00 H new ATOM 0 HD23 LEU A 3 6.534 -4.672 -7.893 1.00 1.00 H new ATOM 52 N LYS A 4 7.846 -2.918 -9.560 1.00 1.00 N ATOM 53 CA LYS A 4 7.369 -1.881 -10.518 1.00 1.00 C ATOM 54 C LYS A 4 8.060 -0.552 -10.223 1.00 1.00 C ATOM 55 O LYS A 4 9.131 -0.516 -9.650 1.00 1.00 O ATOM 56 CB LYS A 4 5.866 -1.746 -10.390 1.00 1.00 C ATOM 57 CG LYS A 4 5.276 -3.090 -10.768 1.00 1.00 C ATOM 58 CD LYS A 4 3.954 -2.902 -11.494 1.00 1.00 C ATOM 59 CE LYS A 4 3.383 -4.267 -11.884 1.00 1.00 C ATOM 60 NZ LYS A 4 3.685 -4.546 -13.316 1.00 1.00 N ATOM 0 H LYS A 4 7.309 -2.985 -8.696 1.00 1.00 H new ATOM 0 HA LYS A 4 7.613 -2.174 -11.539 1.00 1.00 H new ATOM 0 HB2 LYS A 4 5.587 -1.473 -9.372 1.00 1.00 H new ATOM 0 HB3 LYS A 4 5.491 -0.960 -11.045 1.00 1.00 H new ATOM 0 HG2 LYS A 4 5.974 -3.635 -11.404 1.00 1.00 H new ATOM 0 HG3 LYS A 4 5.124 -3.693 -9.873 1.00 1.00 H new ATOM 0 HD2 LYS A 4 3.249 -2.371 -10.855 1.00 1.00 H new ATOM 0 HD3 LYS A 4 4.100 -2.290 -12.384 1.00 1.00 H new ATOM 0 HE2 LYS A 4 3.812 -5.045 -11.253 1.00 1.00 H new ATOM 0 HE3 LYS A 4 2.306 -4.282 -11.720 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 3.296 -5.474 -13.578 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 3.255 -3.809 -13.911 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 4.715 -4.549 -13.459 1.00 1.00 H new ATOM 74 N HIS A 5 7.466 0.537 -10.606 1.00 1.00 N ATOM 75 CA HIS A 5 8.102 1.858 -10.342 1.00 1.00 C ATOM 76 C HIS A 5 7.502 2.464 -9.074 1.00 1.00 C ATOM 77 O HIS A 5 8.207 2.891 -8.181 1.00 1.00 O ATOM 78 CB HIS A 5 7.849 2.792 -11.524 1.00 1.00 C ATOM 79 CG HIS A 5 8.533 4.108 -11.278 1.00 1.00 C ATOM 80 ND1 HIS A 5 7.828 5.262 -10.976 1.00 1.00 N ATOM 81 CD2 HIS A 5 9.859 4.469 -11.286 1.00 1.00 C ATOM 82 CE1 HIS A 5 8.724 6.253 -10.816 1.00 1.00 C ATOM 83 NE2 HIS A 5 9.977 5.824 -10.994 1.00 1.00 N ATOM 0 H HIS A 5 6.569 0.574 -11.090 1.00 1.00 H new ATOM 0 HA HIS A 5 9.176 1.726 -10.210 1.00 1.00 H new ATOM 0 HB2 HIS A 5 8.223 2.342 -12.444 1.00 1.00 H new ATOM 0 HB3 HIS A 5 6.778 2.946 -11.657 1.00 1.00 H new ATOM 0 HD2 HIS A 5 10.684 3.802 -11.488 1.00 1.00 H new ATOM 0 HE1 HIS A 5 8.462 7.272 -10.573 1.00 1.00 H new ATOM 0 HE2 HIS A 5 10.835 6.372 -10.930 1.00 1.00 H new ATOM 91 N SER A 6 6.204 2.504 -8.992 1.00 1.00 N ATOM 92 CA SER A 6 5.545 3.079 -7.794 1.00 1.00 C ATOM 93 C SER A 6 4.042 2.821 -7.886 1.00 1.00 C ATOM 94 O SER A 6 3.598 1.976 -8.637 1.00 1.00 O ATOM 95 CB SER A 6 5.805 4.565 -7.751 1.00 1.00 C ATOM 96 OG SER A 6 6.709 4.857 -6.691 1.00 1.00 O ATOM 0 H SER A 6 5.567 2.160 -9.711 1.00 1.00 H new ATOM 0 HA SER A 6 5.941 2.618 -6.889 1.00 1.00 H new ATOM 0 HB2 SER A 6 6.221 4.900 -8.701 1.00 1.00 H new ATOM 0 HB3 SER A 6 4.869 5.105 -7.605 1.00 1.00 H new ATOM 0 HG SER A 6 7.521 4.319 -6.796 1.00 1.00 H new ATOM 102 N ILE A 7 3.252 3.542 -7.144 1.00 1.00 N ATOM 103 CA ILE A 7 1.782 3.331 -7.217 1.00 1.00 C ATOM 104 C ILE A 7 1.320 3.600 -8.655 1.00 1.00 C ATOM 105 O ILE A 7 0.229 3.239 -9.048 1.00 1.00 O ATOM 106 CB ILE A 7 1.086 4.277 -6.223 1.00 1.00 C ATOM 107 CG1 ILE A 7 -0.153 3.588 -5.657 1.00 1.00 C ATOM 108 CG2 ILE A 7 0.672 5.590 -6.901 1.00 1.00 C ATOM 109 CD1 ILE A 7 -0.102 3.647 -4.132 1.00 1.00 C ATOM 0 H ILE A 7 3.559 4.265 -6.493 1.00 1.00 H new ATOM 0 HA ILE A 7 1.523 2.306 -6.951 1.00 1.00 H new ATOM 0 HB ILE A 7 1.788 4.512 -5.423 1.00 1.00 H new ATOM 0 HG12 ILE A 7 -1.056 4.077 -6.023 1.00 1.00 H new ATOM 0 HG13 ILE A 7 -0.194 2.552 -5.992 1.00 1.00 H new ATOM 0 HG21 ILE A 7 0.183 6.237 -6.173 1.00 1.00 H new ATOM 0 HG22 ILE A 7 1.556 6.091 -7.295 1.00 1.00 H new ATOM 0 HG23 ILE A 7 -0.018 5.376 -7.717 1.00 1.00 H new ATOM 0 HD11 ILE A 7 -0.984 3.157 -3.719 1.00 1.00 H new ATOM 0 HD12 ILE A 7 0.795 3.139 -3.778 1.00 1.00 H new ATOM 0 HD13 ILE A 7 -0.081 4.688 -3.809 1.00 1.00 H new ATOM 121 N SER A 8 2.151 4.239 -9.436 1.00 1.00 N ATOM 122 CA SER A 8 1.781 4.548 -10.845 1.00 1.00 C ATOM 123 C SER A 8 1.741 3.261 -11.677 1.00 1.00 C ATOM 124 O SER A 8 0.952 3.134 -12.592 1.00 1.00 O ATOM 125 CB SER A 8 2.813 5.505 -11.440 1.00 1.00 C ATOM 126 OG SER A 8 2.508 5.733 -12.809 1.00 1.00 O ATOM 0 H SER A 8 3.077 4.562 -9.154 1.00 1.00 H new ATOM 0 HA SER A 8 0.794 5.010 -10.860 1.00 1.00 H new ATOM 0 HB2 SER A 8 2.809 6.448 -10.893 1.00 1.00 H new ATOM 0 HB3 SER A 8 3.814 5.084 -11.344 1.00 1.00 H new ATOM 0 HG SER A 8 3.167 6.348 -13.193 1.00 1.00 H new ATOM 132 N ASP A 9 2.580 2.299 -11.378 1.00 1.00 N ATOM 133 CA ASP A 9 2.558 1.039 -12.173 1.00 1.00 C ATOM 134 C ASP A 9 1.397 0.163 -11.705 1.00 1.00 C ATOM 135 O ASP A 9 0.995 -0.765 -12.377 1.00 1.00 O ATOM 136 CB ASP A 9 3.854 0.261 -12.001 1.00 1.00 C ATOM 137 CG ASP A 9 4.473 -0.010 -13.373 1.00 1.00 C ATOM 138 OD1 ASP A 9 4.031 -0.940 -14.026 1.00 1.00 O ATOM 139 OD2 ASP A 9 5.377 0.720 -13.746 1.00 1.00 O ATOM 0 H ASP A 9 3.270 2.333 -10.627 1.00 1.00 H new ATOM 0 HA ASP A 9 2.440 1.303 -13.224 1.00 1.00 H new ATOM 0 HB2 ASP A 9 4.550 0.826 -11.381 1.00 1.00 H new ATOM 0 HB3 ASP A 9 3.660 -0.680 -11.486 1.00 1.00 H new ATOM 144 N TYR A 10 0.856 0.449 -10.553 1.00 1.00 N ATOM 145 CA TYR A 10 -0.276 -0.371 -10.038 1.00 1.00 C ATOM 146 C TYR A 10 -1.582 0.420 -10.141 1.00 1.00 C ATOM 147 O TYR A 10 -1.638 1.584 -9.799 1.00 1.00 O ATOM 148 CB TYR A 10 -0.035 -0.708 -8.563 1.00 1.00 C ATOM 149 CG TYR A 10 1.169 -1.606 -8.418 1.00 1.00 C ATOM 150 CD1 TYR A 10 1.156 -2.895 -8.965 1.00 1.00 C ATOM 151 CD2 TYR A 10 2.292 -1.156 -7.715 1.00 1.00 C ATOM 152 CE1 TYR A 10 2.269 -3.731 -8.814 1.00 1.00 C ATOM 153 CE2 TYR A 10 3.404 -1.992 -7.561 1.00 1.00 C ATOM 154 CZ TYR A 10 3.392 -3.279 -8.109 1.00 1.00 C ATOM 155 OH TYR A 10 4.486 -4.105 -7.952 1.00 1.00 O ATOM 0 H TYR A 10 1.149 1.215 -9.946 1.00 1.00 H new ATOM 0 HA TYR A 10 -0.345 -1.284 -10.630 1.00 1.00 H new ATOM 0 HB2 TYR A 10 0.117 0.209 -7.994 1.00 1.00 H new ATOM 0 HB3 TYR A 10 -0.915 -1.199 -8.147 1.00 1.00 H new ATOM 0 HD1 TYR A 10 0.287 -3.244 -9.503 1.00 1.00 H new ATOM 0 HD2 TYR A 10 2.301 -0.163 -7.291 1.00 1.00 H new ATOM 0 HE1 TYR A 10 2.262 -4.723 -9.241 1.00 1.00 H new ATOM 0 HE2 TYR A 10 4.271 -1.644 -7.019 1.00 1.00 H new ATOM 0 HH TYR A 10 4.313 -4.964 -8.390 1.00 1.00 H new ATOM 165 N THR A 11 -2.641 -0.208 -10.574 1.00 1.00 N ATOM 166 CA THR A 11 -3.939 0.513 -10.652 1.00 1.00 C ATOM 167 C THR A 11 -4.466 0.659 -9.223 1.00 1.00 C ATOM 168 O THR A 11 -3.843 0.209 -8.285 1.00 1.00 O ATOM 169 CB THR A 11 -4.936 -0.292 -11.488 1.00 1.00 C ATOM 170 OG1 THR A 11 -4.752 -1.679 -11.245 1.00 1.00 O ATOM 171 CG2 THR A 11 -4.712 0.003 -12.972 1.00 1.00 C ATOM 0 H THR A 11 -2.662 -1.182 -10.875 1.00 1.00 H new ATOM 0 HA THR A 11 -3.808 1.488 -11.121 1.00 1.00 H new ATOM 0 HB THR A 11 -5.952 -0.010 -11.211 1.00 1.00 H new ATOM 0 HG1 THR A 11 -5.393 -2.193 -11.780 1.00 1.00 H new ATOM 0 HG21 THR A 11 -5.422 -0.570 -13.568 1.00 1.00 H new ATOM 0 HG22 THR A 11 -4.858 1.067 -13.158 1.00 1.00 H new ATOM 0 HG23 THR A 11 -3.696 -0.277 -13.249 1.00 1.00 H new ATOM 179 N GLU A 12 -5.594 1.276 -9.033 1.00 1.00 N ATOM 180 CA GLU A 12 -6.118 1.424 -7.644 1.00 1.00 C ATOM 181 C GLU A 12 -6.484 0.043 -7.101 1.00 1.00 C ATOM 182 O GLU A 12 -6.619 -0.161 -5.909 1.00 1.00 O ATOM 183 CB GLU A 12 -7.361 2.308 -7.659 1.00 1.00 C ATOM 184 CG GLU A 12 -8.299 1.785 -8.735 1.00 1.00 C ATOM 185 CD GLU A 12 -9.541 1.166 -8.090 1.00 1.00 C ATOM 186 OE1 GLU A 12 -9.678 1.276 -6.882 1.00 1.00 O ATOM 187 OE2 GLU A 12 -10.334 0.588 -8.815 1.00 1.00 O ATOM 0 H GLU A 12 -6.174 1.682 -9.768 1.00 1.00 H new ATOM 0 HA GLU A 12 -5.358 1.882 -7.011 1.00 1.00 H new ATOM 0 HB2 GLU A 12 -7.851 2.292 -6.686 1.00 1.00 H new ATOM 0 HB3 GLU A 12 -7.089 3.344 -7.862 1.00 1.00 H new ATOM 0 HG2 GLU A 12 -8.591 2.597 -9.401 1.00 1.00 H new ATOM 0 HG3 GLU A 12 -7.787 1.041 -9.345 1.00 1.00 H new ATOM 194 N ALA A 13 -6.638 -0.911 -7.974 1.00 1.00 N ATOM 195 CA ALA A 13 -7.004 -2.283 -7.535 1.00 1.00 C ATOM 196 C ALA A 13 -5.745 -3.137 -7.437 1.00 1.00 C ATOM 197 O ALA A 13 -5.523 -3.814 -6.457 1.00 1.00 O ATOM 198 CB ALA A 13 -7.959 -2.898 -8.558 1.00 1.00 C ATOM 0 H ALA A 13 -6.525 -0.797 -8.981 1.00 1.00 H new ATOM 0 HA ALA A 13 -7.489 -2.240 -6.560 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -8.232 -3.905 -8.242 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -8.857 -2.285 -8.631 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -7.470 -2.943 -9.531 1.00 1.00 H new ATOM 204 N GLU A 14 -4.911 -3.108 -8.440 1.00 1.00 N ATOM 205 CA GLU A 14 -3.672 -3.904 -8.392 1.00 1.00 C ATOM 206 C GLU A 14 -2.885 -3.503 -7.150 1.00 1.00 C ATOM 207 O GLU A 14 -2.274 -4.325 -6.491 1.00 1.00 O ATOM 208 CB GLU A 14 -2.867 -3.595 -9.645 1.00 1.00 C ATOM 209 CG GLU A 14 -2.835 -4.829 -10.541 1.00 1.00 C ATOM 210 CD GLU A 14 -1.385 -5.239 -10.802 1.00 1.00 C ATOM 211 OE1 GLU A 14 -0.759 -5.742 -9.884 1.00 1.00 O ATOM 212 OE2 GLU A 14 -0.926 -5.043 -11.914 1.00 1.00 O ATOM 0 H GLU A 14 -5.043 -2.562 -9.291 1.00 1.00 H new ATOM 0 HA GLU A 14 -3.889 -4.971 -8.348 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -3.312 -2.755 -10.179 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -1.853 -3.300 -9.376 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -3.375 -5.649 -10.067 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -3.339 -4.619 -11.484 1.00 1.00 H new ATOM 219 N PHE A 15 -2.912 -2.246 -6.805 1.00 1.00 N ATOM 220 CA PHE A 15 -2.181 -1.807 -5.588 1.00 1.00 C ATOM 221 C PHE A 15 -2.955 -2.298 -4.370 1.00 1.00 C ATOM 222 O PHE A 15 -2.402 -2.880 -3.457 1.00 1.00 O ATOM 223 CB PHE A 15 -2.073 -0.283 -5.548 1.00 1.00 C ATOM 224 CG PHE A 15 -1.107 0.115 -4.457 1.00 1.00 C ATOM 225 CD1 PHE A 15 0.234 -0.280 -4.532 1.00 1.00 C ATOM 226 CD2 PHE A 15 -1.551 0.878 -3.370 1.00 1.00 C ATOM 227 CE1 PHE A 15 1.129 0.087 -3.521 1.00 1.00 C ATOM 228 CE2 PHE A 15 -0.655 1.244 -2.358 1.00 1.00 C ATOM 229 CZ PHE A 15 0.685 0.850 -2.434 1.00 1.00 C ATOM 0 H PHE A 15 -3.405 -1.510 -7.310 1.00 1.00 H new ATOM 0 HA PHE A 15 -1.172 -2.219 -5.595 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -1.729 0.095 -6.511 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -3.052 0.159 -5.363 1.00 1.00 H new ATOM 0 HD1 PHE A 15 0.578 -0.868 -5.370 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -2.585 1.184 -3.312 1.00 1.00 H new ATOM 0 HE1 PHE A 15 2.163 -0.218 -3.579 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -0.999 1.831 -1.519 1.00 1.00 H new ATOM 0 HZ PHE A 15 1.377 1.134 -1.655 1.00 1.00 H new ATOM 239 N LEU A 16 -4.242 -2.084 -4.362 1.00 1.00 N ATOM 240 CA LEU A 16 -5.066 -2.556 -3.221 1.00 1.00 C ATOM 241 C LEU A 16 -4.779 -4.040 -2.984 1.00 1.00 C ATOM 242 O LEU A 16 -4.884 -4.539 -1.879 1.00 1.00 O ATOM 243 CB LEU A 16 -6.538 -2.361 -3.575 1.00 1.00 C ATOM 244 CG LEU A 16 -7.400 -2.470 -2.329 1.00 1.00 C ATOM 245 CD1 LEU A 16 -8.775 -1.869 -2.619 1.00 1.00 C ATOM 246 CD2 LEU A 16 -7.554 -3.944 -1.941 1.00 1.00 C ATOM 0 H LEU A 16 -4.756 -1.602 -5.099 1.00 1.00 H new ATOM 0 HA LEU A 16 -4.829 -1.995 -2.317 1.00 1.00 H new ATOM 0 HB2 LEU A 16 -6.681 -1.385 -4.040 1.00 1.00 H new ATOM 0 HB3 LEU A 16 -6.846 -3.110 -4.305 1.00 1.00 H new ATOM 0 HG LEU A 16 -6.930 -1.930 -1.507 1.00 1.00 H new ATOM 0 HD11 LEU A 16 -9.400 -1.944 -1.729 1.00 1.00 H new ATOM 0 HD12 LEU A 16 -8.663 -0.821 -2.897 1.00 1.00 H new ATOM 0 HD13 LEU A 16 -9.244 -2.413 -3.438 1.00 1.00 H new ATOM 0 HD21 LEU A 16 -8.173 -4.022 -1.047 1.00 1.00 H new ATOM 0 HD22 LEU A 16 -8.027 -4.488 -2.758 1.00 1.00 H new ATOM 0 HD23 LEU A 16 -6.572 -4.372 -1.741 1.00 1.00 H new ATOM 258 N GLN A 17 -4.400 -4.747 -4.013 1.00 1.00 N ATOM 259 CA GLN A 17 -4.087 -6.193 -3.852 1.00 1.00 C ATOM 260 C GLN A 17 -2.815 -6.317 -3.022 1.00 1.00 C ATOM 261 O GLN A 17 -2.722 -7.126 -2.121 1.00 1.00 O ATOM 262 CB GLN A 17 -3.866 -6.829 -5.227 1.00 1.00 C ATOM 263 CG GLN A 17 -4.865 -7.972 -5.429 1.00 1.00 C ATOM 264 CD GLN A 17 -4.698 -9.000 -4.308 1.00 1.00 C ATOM 265 OE1 GLN A 17 -5.668 -9.441 -3.723 1.00 1.00 O ATOM 266 NE2 GLN A 17 -3.501 -9.404 -3.981 1.00 1.00 N ATOM 0 H GLN A 17 -4.294 -4.384 -4.960 1.00 1.00 H new ATOM 0 HA GLN A 17 -4.913 -6.703 -3.356 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -3.991 -6.081 -6.010 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -2.846 -7.205 -5.305 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -5.883 -7.583 -5.431 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -4.702 -8.445 -6.398 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -2.686 -9.035 -4.471 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -3.380 -10.089 -3.235 1.00 1.00 H new ATOM 275 N LEU A 18 -1.838 -5.503 -3.311 1.00 1.00 N ATOM 276 CA LEU A 18 -0.578 -5.559 -2.525 1.00 1.00 C ATOM 277 C LEU A 18 -0.917 -5.378 -1.046 1.00 1.00 C ATOM 278 O LEU A 18 -0.664 -6.245 -0.238 1.00 1.00 O ATOM 279 CB LEU A 18 0.359 -4.434 -2.986 1.00 1.00 C ATOM 280 CG LEU A 18 1.618 -4.407 -2.113 1.00 1.00 C ATOM 281 CD1 LEU A 18 2.830 -4.813 -2.955 1.00 1.00 C ATOM 282 CD2 LEU A 18 1.831 -2.991 -1.567 1.00 1.00 C ATOM 0 H LEU A 18 -1.859 -4.805 -4.054 1.00 1.00 H new ATOM 0 HA LEU A 18 -0.082 -6.518 -2.675 1.00 1.00 H new ATOM 0 HB2 LEU A 18 0.634 -4.584 -4.030 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -0.155 -3.475 -2.926 1.00 1.00 H new ATOM 0 HG LEU A 18 1.499 -5.104 -1.283 1.00 1.00 H new ATOM 0 HD11 LEU A 18 3.726 -4.794 -2.335 1.00 1.00 H new ATOM 0 HD12 LEU A 18 2.680 -5.819 -3.346 1.00 1.00 H new ATOM 0 HD13 LEU A 18 2.947 -4.115 -3.784 1.00 1.00 H new ATOM 0 HD21 LEU A 18 2.727 -2.971 -0.946 1.00 1.00 H new ATOM 0 HD22 LEU A 18 1.950 -2.295 -2.397 1.00 1.00 H new ATOM 0 HD23 LEU A 18 0.968 -2.698 -0.969 1.00 1.00 H new ATOM 294 N VAL A 19 -1.496 -4.263 -0.690 1.00 1.00 N ATOM 295 CA VAL A 19 -1.856 -4.030 0.738 1.00 1.00 C ATOM 296 C VAL A 19 -2.656 -5.214 1.274 1.00 1.00 C ATOM 297 O VAL A 19 -2.738 -5.420 2.465 1.00 1.00 O ATOM 298 CB VAL A 19 -2.686 -2.761 0.850 1.00 1.00 C ATOM 299 CG1 VAL A 19 -3.308 -2.671 2.246 1.00 1.00 C ATOM 300 CG2 VAL A 19 -1.789 -1.543 0.612 1.00 1.00 C ATOM 0 H VAL A 19 -1.735 -3.503 -1.327 1.00 1.00 H new ATOM 0 HA VAL A 19 -0.944 -3.923 1.325 1.00 1.00 H new ATOM 0 HB VAL A 19 -3.480 -2.782 0.103 1.00 1.00 H new ATOM 0 HG11 VAL A 19 -3.902 -1.760 2.322 1.00 1.00 H new ATOM 0 HG12 VAL A 19 -3.948 -3.537 2.416 1.00 1.00 H new ATOM 0 HG13 VAL A 19 -2.517 -2.652 2.996 1.00 1.00 H new ATOM 0 HG21 VAL A 19 -2.383 -0.633 0.692 1.00 1.00 H new ATOM 0 HG22 VAL A 19 -0.995 -1.525 1.358 1.00 1.00 H new ATOM 0 HG23 VAL A 19 -1.350 -1.603 -0.384 1.00 1.00 H new ATOM 310 N THR A 20 -3.247 -5.998 0.417 1.00 1.00 N ATOM 311 CA THR A 20 -4.024 -7.165 0.919 1.00 1.00 C ATOM 312 C THR A 20 -3.049 -8.270 1.326 1.00 1.00 C ATOM 313 O THR A 20 -3.132 -8.808 2.408 1.00 1.00 O ATOM 314 CB THR A 20 -4.958 -7.697 -0.171 1.00 1.00 C ATOM 315 OG1 THR A 20 -6.034 -6.788 -0.359 1.00 1.00 O ATOM 316 CG2 THR A 20 -5.506 -9.064 0.255 1.00 1.00 C ATOM 0 H THR A 20 -3.227 -5.884 -0.596 1.00 1.00 H new ATOM 0 HA THR A 20 -4.624 -6.852 1.774 1.00 1.00 H new ATOM 0 HB THR A 20 -4.408 -7.801 -1.106 1.00 1.00 H new ATOM 0 HG1 THR A 20 -5.705 -5.980 -0.805 1.00 1.00 H new ATOM 0 HG21 THR A 20 -6.172 -9.446 -0.519 1.00 1.00 H new ATOM 0 HG22 THR A 20 -4.679 -9.759 0.398 1.00 1.00 H new ATOM 0 HG23 THR A 20 -6.058 -8.960 1.189 1.00 1.00 H new ATOM 324 N THR A 21 -2.126 -8.615 0.467 1.00 1.00 N ATOM 325 CA THR A 21 -1.154 -9.691 0.813 1.00 1.00 C ATOM 326 C THR A 21 -0.413 -9.322 2.099 1.00 1.00 C ATOM 327 O THR A 21 0.152 -10.165 2.767 1.00 1.00 O ATOM 328 CB THR A 21 -0.143 -9.851 -0.325 1.00 1.00 C ATOM 329 OG1 THR A 21 -0.833 -10.132 -1.535 1.00 1.00 O ATOM 330 CG2 THR A 21 0.814 -11.000 0.000 1.00 1.00 C ATOM 0 H THR A 21 -2.004 -8.199 -0.456 1.00 1.00 H new ATOM 0 HA THR A 21 -1.692 -10.628 0.960 1.00 1.00 H new ATOM 0 HB THR A 21 0.426 -8.928 -0.439 1.00 1.00 H new ATOM 0 HG1 THR A 21 -0.186 -10.233 -2.264 1.00 1.00 H new ATOM 0 HG21 THR A 21 1.534 -11.114 -0.810 1.00 1.00 H new ATOM 0 HG22 THR A 21 1.343 -10.781 0.928 1.00 1.00 H new ATOM 0 HG23 THR A 21 0.247 -11.924 0.115 1.00 1.00 H new ATOM 338 N ILE A 22 -0.402 -8.066 2.448 1.00 1.00 N ATOM 339 CA ILE A 22 0.309 -7.643 3.685 1.00 1.00 C ATOM 340 C ILE A 22 -0.651 -7.694 4.873 1.00 1.00 C ATOM 341 O ILE A 22 -0.361 -8.276 5.898 1.00 1.00 O ATOM 342 CB ILE A 22 0.839 -6.222 3.490 1.00 1.00 C ATOM 343 CG1 ILE A 22 1.359 -6.105 2.056 1.00 1.00 C ATOM 344 CG2 ILE A 22 1.975 -5.960 4.488 1.00 1.00 C ATOM 345 CD1 ILE A 22 2.288 -4.903 1.915 1.00 1.00 C ATOM 0 H ILE A 22 -0.855 -7.314 1.929 1.00 1.00 H new ATOM 0 HA ILE A 22 1.144 -8.315 3.884 1.00 1.00 H new ATOM 0 HB ILE A 22 0.051 -5.489 3.661 1.00 1.00 H new ATOM 0 HG12 ILE A 22 1.891 -7.016 1.781 1.00 1.00 H new ATOM 0 HG13 ILE A 22 0.520 -6.005 1.367 1.00 1.00 H new ATOM 0 HG21 ILE A 22 2.354 -4.947 4.350 1.00 1.00 H new ATOM 0 HG22 ILE A 22 1.599 -6.071 5.505 1.00 1.00 H new ATOM 0 HG23 ILE A 22 2.780 -6.675 4.319 1.00 1.00 H new ATOM 0 HD11 ILE A 22 2.646 -4.839 0.888 1.00 1.00 H new ATOM 0 HD12 ILE A 22 1.745 -3.992 2.168 1.00 1.00 H new ATOM 0 HD13 ILE A 22 3.137 -5.018 2.589 1.00 1.00 H new ATOM 357 N CYS A 23 -1.795 -7.096 4.733 1.00 1.00 N ATOM 358 CA CYS A 23 -2.792 -7.109 5.840 1.00 1.00 C ATOM 359 C CYS A 23 -3.424 -8.501 5.942 1.00 1.00 C ATOM 360 O CYS A 23 -4.209 -8.775 6.828 1.00 1.00 O ATOM 361 CB CYS A 23 -3.883 -6.079 5.541 1.00 1.00 C ATOM 362 SG CYS A 23 -3.621 -4.605 6.557 1.00 1.00 S ATOM 0 H CYS A 23 -2.088 -6.594 3.895 1.00 1.00 H new ATOM 0 HA CYS A 23 -2.299 -6.864 6.781 1.00 1.00 H new ATOM 0 HB2 CYS A 23 -3.866 -5.812 4.484 1.00 1.00 H new ATOM 0 HB3 CYS A 23 -4.865 -6.505 5.746 1.00 1.00 H new ATOM 0 HG CYS A 23 -4.695 -4.357 7.247 1.00 1.00 H new ATOM 368 N ASN A 24 -3.087 -9.382 5.039 1.00 1.00 N ATOM 369 CA ASN A 24 -3.667 -10.757 5.078 1.00 1.00 C ATOM 370 C ASN A 24 -2.557 -11.768 5.379 1.00 1.00 C ATOM 371 O ASN A 24 -2.814 -12.919 5.668 1.00 1.00 O ATOM 372 CB ASN A 24 -4.304 -11.079 3.722 1.00 1.00 C ATOM 373 CG ASN A 24 -5.662 -10.385 3.619 1.00 1.00 C ATOM 374 OD1 ASN A 24 -5.739 -9.095 3.792 1.00 1.00 O flip ATOM 375 ND2 ASN A 24 -6.668 -11.026 3.377 1.00 1.00 N flip ATOM 0 H ASN A 24 -2.434 -9.209 4.275 1.00 1.00 H new ATOM 0 HA ASN A 24 -4.428 -10.812 5.857 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -3.652 -10.747 2.914 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -4.425 -12.157 3.612 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -6.609 -12.035 3.241 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -7.570 -10.554 3.310 1.00 1.00 H new ATOM 382 N ALA A 25 -1.325 -11.343 5.317 1.00 1.00 N ATOM 383 CA ALA A 25 -0.195 -12.274 5.602 1.00 1.00 C ATOM 384 C ALA A 25 -0.274 -13.485 4.670 1.00 1.00 C ATOM 385 O ALA A 25 -0.272 -14.620 5.107 1.00 1.00 O ATOM 386 CB ALA A 25 -0.271 -12.736 7.058 1.00 1.00 C ATOM 0 H ALA A 25 -1.051 -10.389 5.081 1.00 1.00 H new ATOM 0 HA ALA A 25 0.750 -11.758 5.435 1.00 1.00 H new ATOM 0 HB1 ALA A 25 0.554 -13.416 7.267 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -0.205 -11.871 7.718 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -1.217 -13.250 7.228 1.00 1.00 H new ATOM 392 N ASP A 26 -0.334 -13.253 3.387 1.00 1.00 N ATOM 393 CA ASP A 26 -0.401 -14.381 2.420 1.00 1.00 C ATOM 394 C ASP A 26 1.013 -14.825 2.067 1.00 1.00 C ATOM 395 O ASP A 26 1.235 -15.587 1.147 1.00 1.00 O ATOM 396 CB ASP A 26 -1.105 -13.890 1.167 1.00 1.00 C ATOM 397 CG ASP A 26 -2.050 -14.974 0.644 1.00 1.00 C ATOM 398 OD1 ASP A 26 -2.862 -15.448 1.419 1.00 1.00 O ATOM 399 OD2 ASP A 26 -1.944 -15.311 -0.523 1.00 1.00 O ATOM 0 H ASP A 26 -0.339 -12.324 2.966 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.943 -15.222 2.853 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -1.665 -12.981 1.386 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -0.371 -13.635 0.403 1.00 1.00 H new ATOM 404 N THR A 27 1.968 -14.347 2.804 1.00 1.00 N ATOM 405 CA THR A 27 3.378 -14.712 2.555 1.00 1.00 C ATOM 406 C THR A 27 3.812 -15.717 3.609 1.00 1.00 C ATOM 407 O THR A 27 3.478 -15.609 4.771 1.00 1.00 O ATOM 408 CB THR A 27 4.259 -13.463 2.645 1.00 1.00 C ATOM 409 OG1 THR A 27 4.692 -13.288 3.986 1.00 1.00 O ATOM 410 CG2 THR A 27 3.462 -12.234 2.201 1.00 1.00 C ATOM 0 H THR A 27 1.825 -13.706 3.584 1.00 1.00 H new ATOM 0 HA THR A 27 3.479 -15.146 1.560 1.00 1.00 H new ATOM 0 HB THR A 27 5.125 -13.584 1.994 1.00 1.00 H new ATOM 0 HG1 THR A 27 5.665 -13.397 4.033 1.00 1.00 H new ATOM 0 HG21 THR A 27 4.093 -11.348 2.267 1.00 1.00 H new ATOM 0 HG22 THR A 27 3.131 -12.368 1.171 1.00 1.00 H new ATOM 0 HG23 THR A 27 2.594 -12.110 2.848 1.00 1.00 H new ATOM 418 N SER A 28 4.553 -16.690 3.201 1.00 1.00 N ATOM 419 CA SER A 28 5.034 -17.730 4.155 1.00 1.00 C ATOM 420 C SER A 28 6.272 -17.220 4.900 1.00 1.00 C ATOM 421 O SER A 28 7.194 -17.964 5.167 1.00 1.00 O ATOM 422 CB SER A 28 5.397 -18.998 3.382 1.00 1.00 C ATOM 423 OG SER A 28 6.654 -18.814 2.745 1.00 1.00 O ATOM 0 H SER A 28 4.856 -16.820 2.236 1.00 1.00 H new ATOM 0 HA SER A 28 4.245 -17.949 4.875 1.00 1.00 H new ATOM 0 HB2 SER A 28 5.441 -19.851 4.059 1.00 1.00 H new ATOM 0 HB3 SER A 28 4.629 -19.219 2.641 1.00 1.00 H new ATOM 0 HG SER A 28 7.366 -18.818 3.419 1.00 1.00 H new ATOM 429 N SER A 29 6.296 -15.963 5.248 1.00 1.00 N ATOM 430 CA SER A 29 7.456 -15.412 5.982 1.00 1.00 C ATOM 431 C SER A 29 7.130 -13.996 6.457 1.00 1.00 C ATOM 432 O SER A 29 6.682 -13.162 5.695 1.00 1.00 O ATOM 433 CB SER A 29 8.688 -15.382 5.076 1.00 1.00 C ATOM 434 OG SER A 29 8.599 -16.432 4.121 1.00 1.00 O ATOM 0 H SER A 29 5.553 -15.293 5.051 1.00 1.00 H new ATOM 0 HA SER A 29 7.668 -16.046 6.843 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.757 -14.420 4.569 1.00 1.00 H new ATOM 0 HB3 SER A 29 9.594 -15.494 5.672 1.00 1.00 H new ATOM 0 HG SER A 29 8.526 -17.292 4.586 1.00 1.00 H new ATOM 440 N GLU A 30 7.347 -13.720 7.713 1.00 1.00 N ATOM 441 CA GLU A 30 7.045 -12.359 8.238 1.00 1.00 C ATOM 442 C GLU A 30 7.952 -11.333 7.560 1.00 1.00 C ATOM 443 O GLU A 30 7.588 -10.187 7.383 1.00 1.00 O ATOM 444 CB GLU A 30 7.280 -12.327 9.751 1.00 1.00 C ATOM 445 CG GLU A 30 8.711 -12.772 10.056 1.00 1.00 C ATOM 446 CD GLU A 30 9.267 -11.937 11.213 1.00 1.00 C ATOM 447 OE1 GLU A 30 8.826 -12.143 12.330 1.00 1.00 O ATOM 448 OE2 GLU A 30 10.125 -11.108 10.958 1.00 1.00 O ATOM 0 H GLU A 30 7.720 -14.377 8.398 1.00 1.00 H new ATOM 0 HA GLU A 30 6.003 -12.116 8.028 1.00 1.00 H new ATOM 0 HB2 GLU A 30 7.112 -11.321 10.134 1.00 1.00 H new ATOM 0 HB3 GLU A 30 6.569 -12.983 10.254 1.00 1.00 H new ATOM 0 HG2 GLU A 30 8.727 -13.830 10.316 1.00 1.00 H new ATOM 0 HG3 GLU A 30 9.337 -12.652 9.172 1.00 1.00 H new ATOM 455 N GLU A 31 9.132 -11.735 7.173 1.00 1.00 N ATOM 456 CA GLU A 31 10.058 -10.779 6.503 1.00 1.00 C ATOM 457 C GLU A 31 9.463 -10.357 5.160 1.00 1.00 C ATOM 458 O GLU A 31 9.677 -9.258 4.695 1.00 1.00 O ATOM 459 CB GLU A 31 11.412 -11.455 6.276 1.00 1.00 C ATOM 460 CG GLU A 31 12.442 -10.405 5.857 1.00 1.00 C ATOM 461 CD GLU A 31 13.847 -11.006 5.938 1.00 1.00 C ATOM 462 OE1 GLU A 31 14.291 -11.277 7.041 1.00 1.00 O ATOM 463 OE2 GLU A 31 14.455 -11.182 4.896 1.00 1.00 O ATOM 0 H GLU A 31 9.494 -12.681 7.291 1.00 1.00 H new ATOM 0 HA GLU A 31 10.195 -9.900 7.132 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.738 -11.956 7.188 1.00 1.00 H new ATOM 0 HB3 GLU A 31 11.324 -12.221 5.506 1.00 1.00 H new ATOM 0 HG2 GLU A 31 12.238 -10.066 4.841 1.00 1.00 H new ATOM 0 HG3 GLU A 31 12.371 -9.532 6.505 1.00 1.00 H new ATOM 470 N GLU A 32 8.707 -11.220 4.539 1.00 1.00 N ATOM 471 CA GLU A 32 8.092 -10.858 3.234 1.00 1.00 C ATOM 472 C GLU A 32 6.860 -9.990 3.495 1.00 1.00 C ATOM 473 O GLU A 32 6.424 -9.237 2.646 1.00 1.00 O ATOM 474 CB GLU A 32 7.677 -12.130 2.489 1.00 1.00 C ATOM 475 CG GLU A 32 8.390 -12.181 1.135 1.00 1.00 C ATOM 476 CD GLU A 32 7.356 -12.098 0.009 1.00 1.00 C ATOM 477 OE1 GLU A 32 6.267 -12.615 0.193 1.00 1.00 O ATOM 478 OE2 GLU A 32 7.672 -11.518 -1.016 1.00 1.00 O ATOM 0 H GLU A 32 8.490 -12.157 4.879 1.00 1.00 H new ATOM 0 HA GLU A 32 8.811 -10.309 2.625 1.00 1.00 H new ATOM 0 HB2 GLU A 32 7.931 -13.010 3.080 1.00 1.00 H new ATOM 0 HB3 GLU A 32 6.597 -12.144 2.344 1.00 1.00 H new ATOM 0 HG2 GLU A 32 9.098 -11.357 1.054 1.00 1.00 H new ATOM 0 HG3 GLU A 32 8.964 -13.104 1.049 1.00 1.00 H new ATOM 485 N LEU A 33 6.298 -10.085 4.671 1.00 1.00 N ATOM 486 CA LEU A 33 5.101 -9.263 4.995 1.00 1.00 C ATOM 487 C LEU A 33 5.554 -7.847 5.336 1.00 1.00 C ATOM 488 O LEU A 33 4.819 -6.891 5.185 1.00 1.00 O ATOM 489 CB LEU A 33 4.364 -9.892 6.189 1.00 1.00 C ATOM 490 CG LEU A 33 2.839 -9.786 6.021 1.00 1.00 C ATOM 491 CD1 LEU A 33 2.378 -8.371 6.368 1.00 1.00 C ATOM 492 CD2 LEU A 33 2.431 -10.121 4.581 1.00 1.00 C ATOM 0 H LEU A 33 6.619 -10.698 5.421 1.00 1.00 H new ATOM 0 HA LEU A 33 4.423 -9.227 4.142 1.00 1.00 H new ATOM 0 HB2 LEU A 33 4.650 -10.939 6.285 1.00 1.00 H new ATOM 0 HB3 LEU A 33 4.666 -9.393 7.110 1.00 1.00 H new ATOM 0 HG LEU A 33 2.365 -10.500 6.695 1.00 1.00 H new ATOM 0 HD11 LEU A 33 1.297 -8.301 6.247 1.00 1.00 H new ATOM 0 HD12 LEU A 33 2.643 -8.145 7.401 1.00 1.00 H new ATOM 0 HD13 LEU A 33 2.864 -7.657 5.704 1.00 1.00 H new ATOM 0 HD21 LEU A 33 1.349 -10.041 4.481 1.00 1.00 H new ATOM 0 HD22 LEU A 33 2.911 -9.423 3.895 1.00 1.00 H new ATOM 0 HD23 LEU A 33 2.743 -11.138 4.342 1.00 1.00 H new ATOM 504 N VAL A 34 6.773 -7.703 5.762 1.00 1.00 N ATOM 505 CA VAL A 34 7.299 -6.354 6.075 1.00 1.00 C ATOM 506 C VAL A 34 7.793 -5.754 4.769 1.00 1.00 C ATOM 507 O VAL A 34 7.380 -4.693 4.372 1.00 1.00 O ATOM 508 CB VAL A 34 8.429 -6.491 7.113 1.00 1.00 C ATOM 509 CG1 VAL A 34 9.797 -6.211 6.489 1.00 1.00 C ATOM 510 CG2 VAL A 34 8.183 -5.508 8.260 1.00 1.00 C ATOM 0 H VAL A 34 7.431 -8.468 5.907 1.00 1.00 H new ATOM 0 HA VAL A 34 6.539 -5.701 6.504 1.00 1.00 H new ATOM 0 HB VAL A 34 8.429 -7.515 7.485 1.00 1.00 H new ATOM 0 HG11 VAL A 34 10.572 -6.316 7.248 1.00 1.00 H new ATOM 0 HG12 VAL A 34 9.981 -6.920 5.682 1.00 1.00 H new ATOM 0 HG13 VAL A 34 9.815 -5.196 6.091 1.00 1.00 H new ATOM 0 HG21 VAL A 34 8.981 -5.602 8.997 1.00 1.00 H new ATOM 0 HG22 VAL A 34 8.167 -4.490 7.870 1.00 1.00 H new ATOM 0 HG23 VAL A 34 7.226 -5.731 8.731 1.00 1.00 H new ATOM 520 N LYS A 35 8.643 -6.446 4.076 1.00 1.00 N ATOM 521 CA LYS A 35 9.117 -5.910 2.775 1.00 1.00 C ATOM 522 C LYS A 35 7.888 -5.581 1.927 1.00 1.00 C ATOM 523 O LYS A 35 7.949 -4.798 1.000 1.00 1.00 O ATOM 524 CB LYS A 35 9.984 -6.952 2.062 1.00 1.00 C ATOM 525 CG LYS A 35 11.077 -6.240 1.261 1.00 1.00 C ATOM 526 CD LYS A 35 11.915 -7.272 0.503 1.00 1.00 C ATOM 527 CE LYS A 35 10.991 -8.233 -0.248 1.00 1.00 C ATOM 528 NZ LYS A 35 11.589 -8.562 -1.575 1.00 1.00 N ATOM 0 H LYS A 35 9.028 -7.350 4.348 1.00 1.00 H new ATOM 0 HA LYS A 35 9.720 -5.015 2.931 1.00 1.00 H new ATOM 0 HB2 LYS A 35 10.433 -7.628 2.790 1.00 1.00 H new ATOM 0 HB3 LYS A 35 9.369 -7.561 1.399 1.00 1.00 H new ATOM 0 HG2 LYS A 35 10.628 -5.536 0.560 1.00 1.00 H new ATOM 0 HG3 LYS A 35 11.713 -5.661 1.930 1.00 1.00 H new ATOM 0 HD2 LYS A 35 12.581 -6.770 -0.198 1.00 1.00 H new ATOM 0 HD3 LYS A 35 12.544 -7.826 1.199 1.00 1.00 H new ATOM 0 HE2 LYS A 35 10.846 -9.144 0.333 1.00 1.00 H new ATOM 0 HE3 LYS A 35 10.009 -7.780 -0.382 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 10.962 -9.215 -2.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 11.706 -7.690 -2.129 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 12.517 -9.011 -1.436 1.00 1.00 H new ATOM 542 N LEU A 36 6.762 -6.163 2.257 1.00 1.00 N ATOM 543 CA LEU A 36 5.520 -5.877 1.508 1.00 1.00 C ATOM 544 C LEU A 36 5.034 -4.497 1.922 1.00 1.00 C ATOM 545 O LEU A 36 4.712 -3.659 1.105 1.00 1.00 O ATOM 546 CB LEU A 36 4.465 -6.913 1.902 1.00 1.00 C ATOM 547 CG LEU A 36 3.866 -7.575 0.655 1.00 1.00 C ATOM 548 CD1 LEU A 36 4.986 -7.962 -0.311 1.00 1.00 C ATOM 549 CD2 LEU A 36 3.100 -8.837 1.066 1.00 1.00 C ATOM 0 H LEU A 36 6.659 -6.829 3.022 1.00 1.00 H new ATOM 0 HA LEU A 36 5.695 -5.915 0.433 1.00 1.00 H new ATOM 0 HB2 LEU A 36 4.914 -7.672 2.543 1.00 1.00 H new ATOM 0 HB3 LEU A 36 3.675 -6.434 2.481 1.00 1.00 H new ATOM 0 HG LEU A 36 3.189 -6.874 0.167 1.00 1.00 H new ATOM 0 HD11 LEU A 36 4.557 -8.432 -1.196 1.00 1.00 H new ATOM 0 HD12 LEU A 36 5.537 -7.069 -0.606 1.00 1.00 H new ATOM 0 HD13 LEU A 36 5.664 -8.661 0.179 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.674 -9.308 0.180 1.00 1.00 H new ATOM 0 HD22 LEU A 36 3.781 -9.533 1.555 1.00 1.00 H new ATOM 0 HD23 LEU A 36 2.299 -8.568 1.755 1.00 1.00 H new ATOM 561 N VAL A 37 4.969 -4.272 3.202 1.00 1.00 N ATOM 562 CA VAL A 37 4.493 -2.965 3.711 1.00 1.00 C ATOM 563 C VAL A 37 5.486 -1.870 3.302 1.00 1.00 C ATOM 564 O VAL A 37 5.122 -0.895 2.675 1.00 1.00 O ATOM 565 CB VAL A 37 4.337 -3.066 5.239 1.00 1.00 C ATOM 566 CG1 VAL A 37 5.525 -2.455 5.967 1.00 1.00 C ATOM 567 CG2 VAL A 37 3.078 -2.329 5.652 1.00 1.00 C ATOM 0 H VAL A 37 5.228 -4.946 3.922 1.00 1.00 H new ATOM 0 HA VAL A 37 3.525 -2.704 3.284 1.00 1.00 H new ATOM 0 HB VAL A 37 4.280 -4.121 5.507 1.00 1.00 H new ATOM 0 HG11 VAL A 37 5.378 -2.546 7.043 1.00 1.00 H new ATOM 0 HG12 VAL A 37 6.437 -2.979 5.680 1.00 1.00 H new ATOM 0 HG13 VAL A 37 5.613 -1.402 5.700 1.00 1.00 H new ATOM 0 HG21 VAL A 37 2.957 -2.394 6.733 1.00 1.00 H new ATOM 0 HG22 VAL A 37 3.156 -1.282 5.358 1.00 1.00 H new ATOM 0 HG23 VAL A 37 2.215 -2.780 5.162 1.00 1.00 H new ATOM 577 N THR A 38 6.740 -2.028 3.626 1.00 1.00 N ATOM 578 CA THR A 38 7.735 -1.003 3.223 1.00 1.00 C ATOM 579 C THR A 38 7.530 -0.730 1.731 1.00 1.00 C ATOM 580 O THR A 38 7.559 0.400 1.284 1.00 1.00 O ATOM 581 CB THR A 38 9.152 -1.540 3.520 1.00 1.00 C ATOM 582 OG1 THR A 38 9.719 -0.791 4.587 1.00 1.00 O ATOM 583 CG2 THR A 38 10.063 -1.427 2.293 1.00 1.00 C ATOM 0 H THR A 38 7.114 -2.819 4.150 1.00 1.00 H new ATOM 0 HA THR A 38 7.612 -0.072 3.776 1.00 1.00 H new ATOM 0 HB THR A 38 9.068 -2.593 3.789 1.00 1.00 H new ATOM 0 HG1 THR A 38 10.618 -1.128 4.782 1.00 1.00 H new ATOM 0 HG21 THR A 38 11.052 -1.814 2.537 1.00 1.00 H new ATOM 0 HG22 THR A 38 9.640 -2.005 1.471 1.00 1.00 H new ATOM 0 HG23 THR A 38 10.146 -0.381 1.996 1.00 1.00 H new ATOM 591 N HIS A 39 7.292 -1.760 0.965 1.00 1.00 N ATOM 592 CA HIS A 39 7.051 -1.561 -0.487 1.00 1.00 C ATOM 593 C HIS A 39 5.870 -0.606 -0.639 1.00 1.00 C ATOM 594 O HIS A 39 5.914 0.340 -1.403 1.00 1.00 O ATOM 595 CB HIS A 39 6.714 -2.903 -1.142 1.00 1.00 C ATOM 596 CG HIS A 39 6.791 -2.767 -2.635 1.00 1.00 C ATOM 597 ND1 HIS A 39 5.723 -3.084 -3.459 1.00 1.00 N ATOM 598 CD2 HIS A 39 7.799 -2.354 -3.470 1.00 1.00 C ATOM 599 CE1 HIS A 39 6.110 -2.859 -4.727 1.00 1.00 C ATOM 600 NE2 HIS A 39 7.367 -2.413 -4.791 1.00 1.00 N ATOM 0 H HIS A 39 7.255 -2.728 1.284 1.00 1.00 H new ATOM 0 HA HIS A 39 7.939 -1.150 -0.968 1.00 1.00 H new ATOM 0 HB2 HIS A 39 7.408 -3.671 -0.800 1.00 1.00 H new ATOM 0 HB3 HIS A 39 5.715 -3.223 -0.847 1.00 1.00 H new ATOM 0 HD2 HIS A 39 8.779 -2.032 -3.150 1.00 1.00 H new ATOM 0 HE1 HIS A 39 5.480 -3.020 -5.590 1.00 1.00 H new ATOM 0 HE2 HIS A 39 7.896 -2.168 -5.628 1.00 1.00 H new ATOM 608 N PHE A 40 4.820 -0.836 0.103 1.00 1.00 N ATOM 609 CA PHE A 40 3.639 0.066 0.026 1.00 1.00 C ATOM 610 C PHE A 40 4.116 1.509 0.227 1.00 1.00 C ATOM 611 O PHE A 40 3.698 2.416 -0.465 1.00 1.00 O ATOM 612 CB PHE A 40 2.641 -0.312 1.126 1.00 1.00 C ATOM 613 CG PHE A 40 1.630 0.796 1.307 1.00 1.00 C ATOM 614 CD1 PHE A 40 1.914 1.867 2.163 1.00 1.00 C ATOM 615 CD2 PHE A 40 0.409 0.751 0.624 1.00 1.00 C ATOM 616 CE1 PHE A 40 0.978 2.894 2.335 1.00 1.00 C ATOM 617 CE2 PHE A 40 -0.528 1.778 0.796 1.00 1.00 C ATOM 618 CZ PHE A 40 -0.243 2.848 1.652 1.00 1.00 C ATOM 0 H PHE A 40 4.731 -1.611 0.760 1.00 1.00 H new ATOM 0 HA PHE A 40 3.151 -0.029 -0.944 1.00 1.00 H new ATOM 0 HB2 PHE A 40 2.133 -1.240 0.865 1.00 1.00 H new ATOM 0 HB3 PHE A 40 3.169 -0.490 2.063 1.00 1.00 H new ATOM 0 HD1 PHE A 40 2.856 1.901 2.691 1.00 1.00 H new ATOM 0 HD2 PHE A 40 0.189 -0.076 -0.036 1.00 1.00 H new ATOM 0 HE1 PHE A 40 1.198 3.721 2.994 1.00 1.00 H new ATOM 0 HE2 PHE A 40 -1.470 1.744 0.268 1.00 1.00 H new ATOM 0 HZ PHE A 40 -0.966 3.639 1.786 1.00 1.00 H new ATOM 628 N GLU A 41 4.997 1.719 1.169 1.00 1.00 N ATOM 629 CA GLU A 41 5.526 3.056 1.441 1.00 1.00 C ATOM 630 C GLU A 41 6.158 3.657 0.179 1.00 1.00 C ATOM 631 O GLU A 41 5.829 4.752 -0.231 1.00 1.00 O ATOM 632 CB GLU A 41 6.584 2.855 2.507 1.00 1.00 C ATOM 633 CG GLU A 41 6.138 3.542 3.780 1.00 1.00 C ATOM 634 CD GLU A 41 7.166 4.600 4.188 1.00 1.00 C ATOM 635 OE1 GLU A 41 7.344 5.544 3.437 1.00 1.00 O ATOM 636 OE2 GLU A 41 7.756 4.448 5.244 1.00 1.00 O ATOM 0 H GLU A 41 5.373 0.986 1.771 1.00 1.00 H new ATOM 0 HA GLU A 41 4.741 3.742 1.761 1.00 1.00 H new ATOM 0 HB2 GLU A 41 6.739 1.791 2.688 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.538 3.264 2.173 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.164 4.008 3.630 1.00 1.00 H new ATOM 0 HG3 GLU A 41 6.022 2.809 4.578 1.00 1.00 H new ATOM 643 N GLU A 42 7.076 2.954 -0.426 1.00 1.00 N ATOM 644 CA GLU A 42 7.749 3.485 -1.650 1.00 1.00 C ATOM 645 C GLU A 42 6.751 3.598 -2.804 1.00 1.00 C ATOM 646 O GLU A 42 7.068 4.110 -3.858 1.00 1.00 O ATOM 647 CB GLU A 42 8.876 2.533 -2.051 1.00 1.00 C ATOM 648 CG GLU A 42 10.121 3.342 -2.421 1.00 1.00 C ATOM 649 CD GLU A 42 11.289 2.923 -1.528 1.00 1.00 C ATOM 650 OE1 GLU A 42 11.053 2.670 -0.358 1.00 1.00 O ATOM 651 OE2 GLU A 42 12.400 2.860 -2.028 1.00 1.00 O ATOM 0 H GLU A 42 7.391 2.032 -0.126 1.00 1.00 H new ATOM 0 HA GLU A 42 8.149 4.475 -1.434 1.00 1.00 H new ATOM 0 HB2 GLU A 42 9.102 1.854 -1.229 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.564 1.919 -2.896 1.00 1.00 H new ATOM 0 HG2 GLU A 42 10.375 3.180 -3.469 1.00 1.00 H new ATOM 0 HG3 GLU A 42 9.923 4.407 -2.302 1.00 1.00 H new ATOM 658 N MET A 43 5.552 3.119 -2.625 1.00 1.00 N ATOM 659 CA MET A 43 4.550 3.199 -3.727 1.00 1.00 C ATOM 660 C MET A 43 3.812 4.538 -3.673 1.00 1.00 C ATOM 661 O MET A 43 3.930 5.362 -4.558 1.00 1.00 O ATOM 662 CB MET A 43 3.535 2.065 -3.584 1.00 1.00 C ATOM 663 CG MET A 43 3.650 1.122 -4.782 1.00 1.00 C ATOM 664 SD MET A 43 4.562 -0.362 -4.292 1.00 1.00 S ATOM 665 CE MET A 43 6.066 -0.028 -5.242 1.00 1.00 C ATOM 0 H MET A 43 5.222 2.677 -1.767 1.00 1.00 H new ATOM 0 HA MET A 43 5.071 3.111 -4.680 1.00 1.00 H new ATOM 0 HB2 MET A 43 3.714 1.518 -2.659 1.00 1.00 H new ATOM 0 HB3 MET A 43 2.526 2.472 -3.524 1.00 1.00 H new ATOM 0 HG2 MET A 43 2.658 0.850 -5.142 1.00 1.00 H new ATOM 0 HG3 MET A 43 4.161 1.622 -5.605 1.00 1.00 H new ATOM 0 HE1 MET A 43 6.158 -0.758 -6.046 1.00 1.00 H new ATOM 0 HE2 MET A 43 6.013 0.975 -5.666 1.00 1.00 H new ATOM 0 HE3 MET A 43 6.934 -0.099 -4.586 1.00 1.00 H new ATOM 675 N THR A 44 3.039 4.757 -2.644 1.00 1.00 N ATOM 676 CA THR A 44 2.278 6.040 -2.544 1.00 1.00 C ATOM 677 C THR A 44 3.101 7.084 -1.785 1.00 1.00 C ATOM 678 O THR A 44 2.623 8.158 -1.482 1.00 1.00 O ATOM 679 CB THR A 44 0.931 5.822 -1.826 1.00 1.00 C ATOM 680 OG1 THR A 44 0.775 6.796 -0.802 1.00 1.00 O ATOM 681 CG2 THR A 44 0.863 4.423 -1.206 1.00 1.00 C ATOM 0 H THR A 44 2.900 4.107 -1.870 1.00 1.00 H new ATOM 0 HA THR A 44 2.083 6.399 -3.555 1.00 1.00 H new ATOM 0 HB THR A 44 0.131 5.919 -2.560 1.00 1.00 H new ATOM 0 HG1 THR A 44 0.912 7.691 -1.178 1.00 1.00 H new ATOM 0 HG21 THR A 44 -0.096 4.293 -0.705 1.00 1.00 H new ATOM 0 HG22 THR A 44 0.968 3.672 -1.989 1.00 1.00 H new ATOM 0 HG23 THR A 44 1.669 4.307 -0.482 1.00 1.00 H new ATOM 689 N GLU A 45 4.325 6.780 -1.468 1.00 1.00 N ATOM 690 CA GLU A 45 5.162 7.763 -0.722 1.00 1.00 C ATOM 691 C GLU A 45 4.372 8.308 0.473 1.00 1.00 C ATOM 692 O GLU A 45 4.664 9.367 0.992 1.00 1.00 O ATOM 693 CB GLU A 45 5.541 8.916 -1.653 1.00 1.00 C ATOM 694 CG GLU A 45 6.330 8.373 -2.846 1.00 1.00 C ATOM 695 CD GLU A 45 6.891 9.538 -3.661 1.00 1.00 C ATOM 696 OE1 GLU A 45 6.100 10.333 -4.143 1.00 1.00 O ATOM 697 OE2 GLU A 45 8.101 9.617 -3.791 1.00 1.00 O ATOM 0 H GLU A 45 4.784 5.897 -1.691 1.00 1.00 H new ATOM 0 HA GLU A 45 6.066 7.272 -0.363 1.00 1.00 H new ATOM 0 HB2 GLU A 45 4.643 9.427 -2.000 1.00 1.00 H new ATOM 0 HB3 GLU A 45 6.138 9.651 -1.114 1.00 1.00 H new ATOM 0 HG2 GLU A 45 7.142 7.735 -2.498 1.00 1.00 H new ATOM 0 HG3 GLU A 45 5.685 7.756 -3.471 1.00 1.00 H new ATOM 704 N HIS A 46 3.380 7.584 0.919 1.00 1.00 N ATOM 705 CA HIS A 46 2.575 8.045 2.088 1.00 1.00 C ATOM 706 C HIS A 46 3.526 8.307 3.264 1.00 1.00 C ATOM 707 O HIS A 46 4.513 7.614 3.416 1.00 1.00 O ATOM 708 CB HIS A 46 1.573 6.938 2.446 1.00 1.00 C ATOM 709 CG HIS A 46 0.390 7.517 3.173 1.00 1.00 C ATOM 710 ND1 HIS A 46 0.346 7.583 4.552 1.00 1.00 N ATOM 711 CD2 HIS A 46 -0.799 8.052 2.733 1.00 1.00 C ATOM 712 CE1 HIS A 46 -0.829 8.138 4.899 1.00 1.00 C ATOM 713 NE2 HIS A 46 -1.567 8.443 3.828 1.00 1.00 N ATOM 0 H HIS A 46 3.091 6.690 0.522 1.00 1.00 H new ATOM 0 HA HIS A 46 2.034 8.963 1.857 1.00 1.00 H new ATOM 0 HB2 HIS A 46 1.239 6.433 1.539 1.00 1.00 H new ATOM 0 HB3 HIS A 46 2.059 6.187 3.069 1.00 1.00 H new ATOM 0 HD2 HIS A 46 -1.092 8.153 1.698 1.00 1.00 H new ATOM 0 HE1 HIS A 46 -1.138 8.315 5.919 1.00 1.00 H new ATOM 0 HE2 HIS A 46 -2.493 8.870 3.815 1.00 1.00 H new ATOM 721 N PRO A 47 3.212 9.301 4.062 1.00 1.00 N ATOM 722 CA PRO A 47 4.042 9.668 5.225 1.00 1.00 C ATOM 723 C PRO A 47 3.930 8.617 6.333 1.00 1.00 C ATOM 724 O PRO A 47 4.927 8.135 6.836 1.00 1.00 O ATOM 725 CB PRO A 47 3.482 11.025 5.660 1.00 1.00 C ATOM 726 CG PRO A 47 2.051 11.109 5.085 1.00 1.00 C ATOM 727 CD PRO A 47 2.006 10.138 3.890 1.00 1.00 C ATOM 0 HA PRO A 47 5.106 9.720 4.992 1.00 1.00 H new ATOM 0 HB2 PRO A 47 3.470 11.110 6.747 1.00 1.00 H new ATOM 0 HB3 PRO A 47 4.101 11.840 5.283 1.00 1.00 H new ATOM 0 HG2 PRO A 47 1.313 10.833 5.838 1.00 1.00 H new ATOM 0 HG3 PRO A 47 1.818 12.126 4.768 1.00 1.00 H new ATOM 0 HD2 PRO A 47 1.098 9.536 3.900 1.00 1.00 H new ATOM 0 HD3 PRO A 47 2.024 10.673 2.940 1.00 1.00 H new ATOM 735 N SER A 48 2.740 8.228 6.705 1.00 1.00 N ATOM 736 CA SER A 48 2.611 7.189 7.750 1.00 1.00 C ATOM 737 C SER A 48 3.247 5.915 7.201 1.00 1.00 C ATOM 738 O SER A 48 3.856 5.143 7.914 1.00 1.00 O ATOM 739 CB SER A 48 1.131 6.937 8.032 1.00 1.00 C ATOM 740 OG SER A 48 0.346 7.596 7.063 1.00 1.00 O ATOM 0 H SER A 48 1.861 8.585 6.330 1.00 1.00 H new ATOM 0 HA SER A 48 3.098 7.501 8.674 1.00 1.00 H new ATOM 0 HB2 SER A 48 0.924 5.867 8.016 1.00 1.00 H new ATOM 0 HB3 SER A 48 0.874 7.296 9.029 1.00 1.00 H new ATOM 0 HG SER A 48 0.698 7.401 6.169 1.00 1.00 H new ATOM 746 N GLY A 49 3.109 5.710 5.918 1.00 1.00 N ATOM 747 CA GLY A 49 3.689 4.516 5.270 1.00 1.00 C ATOM 748 C GLY A 49 3.105 3.262 5.897 1.00 1.00 C ATOM 749 O GLY A 49 1.926 2.979 5.789 1.00 1.00 O ATOM 0 H GLY A 49 2.608 6.336 5.287 1.00 1.00 H new ATOM 0 HA2 GLY A 49 3.479 4.532 4.201 1.00 1.00 H new ATOM 0 HA3 GLY A 49 4.773 4.520 5.382 1.00 1.00 H new ATOM 753 N SER A 50 3.930 2.514 6.556 1.00 1.00 N ATOM 754 CA SER A 50 3.453 1.262 7.204 1.00 1.00 C ATOM 755 C SER A 50 2.641 1.577 8.461 1.00 1.00 C ATOM 756 O SER A 50 2.305 0.693 9.218 1.00 1.00 O ATOM 757 CB SER A 50 4.653 0.389 7.575 1.00 1.00 C ATOM 758 OG SER A 50 5.822 1.196 7.631 1.00 1.00 O ATOM 0 H SER A 50 4.923 2.713 6.678 1.00 1.00 H new ATOM 0 HA SER A 50 2.812 0.730 6.501 1.00 1.00 H new ATOM 0 HB2 SER A 50 4.483 -0.092 8.538 1.00 1.00 H new ATOM 0 HB3 SER A 50 4.781 -0.405 6.840 1.00 1.00 H new ATOM 0 HG SER A 50 6.592 0.640 7.870 1.00 1.00 H new ATOM 764 N ASP A 51 2.303 2.818 8.684 1.00 1.00 N ATOM 765 CA ASP A 51 1.488 3.168 9.877 1.00 1.00 C ATOM 766 C ASP A 51 0.022 2.937 9.525 1.00 1.00 C ATOM 767 O ASP A 51 -0.765 2.494 10.337 1.00 1.00 O ATOM 768 CB ASP A 51 1.713 4.651 10.231 1.00 1.00 C ATOM 769 CG ASP A 51 0.438 5.282 10.809 1.00 1.00 C ATOM 770 OD1 ASP A 51 -0.447 5.601 10.032 1.00 1.00 O ATOM 771 OD2 ASP A 51 0.372 5.434 12.018 1.00 1.00 O ATOM 0 H ASP A 51 2.558 3.605 8.088 1.00 1.00 H new ATOM 0 HA ASP A 51 1.772 2.555 10.733 1.00 1.00 H new ATOM 0 HB2 ASP A 51 2.524 4.736 10.954 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.021 5.198 9.340 1.00 1.00 H new ATOM 776 N LEU A 52 -0.341 3.234 8.309 1.00 1.00 N ATOM 777 CA LEU A 52 -1.743 3.052 7.881 1.00 1.00 C ATOM 778 C LEU A 52 -2.152 1.605 8.124 1.00 1.00 C ATOM 779 O LEU A 52 -3.318 1.283 8.241 1.00 1.00 O ATOM 780 CB LEU A 52 -1.821 3.411 6.408 1.00 1.00 C ATOM 781 CG LEU A 52 -2.640 4.701 6.156 1.00 1.00 C ATOM 782 CD1 LEU A 52 -2.713 5.587 7.407 1.00 1.00 C ATOM 783 CD2 LEU A 52 -1.960 5.503 5.047 1.00 1.00 C ATOM 0 H LEU A 52 0.285 3.598 7.591 1.00 1.00 H new ATOM 0 HA LEU A 52 -2.424 3.690 8.444 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -0.813 3.542 6.015 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -2.272 2.585 5.859 1.00 1.00 H new ATOM 0 HG LEU A 52 -3.653 4.407 5.880 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -3.296 6.481 7.186 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -3.189 5.034 8.217 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -1.706 5.876 7.707 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -2.526 6.415 4.858 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.947 5.762 5.354 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.922 4.905 4.137 1.00 1.00 H new ATOM 795 N ILE A 53 -1.189 0.739 8.239 1.00 1.00 N ATOM 796 CA ILE A 53 -1.487 -0.689 8.513 1.00 1.00 C ATOM 797 C ILE A 53 -1.102 -0.978 9.965 1.00 1.00 C ATOM 798 O ILE A 53 -1.740 -1.744 10.653 1.00 1.00 O ATOM 799 CB ILE A 53 -0.657 -1.568 7.570 1.00 1.00 C ATOM 800 CG1 ILE A 53 -0.764 -1.026 6.143 1.00 1.00 C ATOM 801 CG2 ILE A 53 -1.171 -3.010 7.605 1.00 1.00 C ATOM 802 CD1 ILE A 53 0.462 -1.462 5.344 1.00 1.00 C ATOM 0 H ILE A 53 -0.197 0.963 8.154 1.00 1.00 H new ATOM 0 HA ILE A 53 -2.544 -0.902 8.354 1.00 1.00 H new ATOM 0 HB ILE A 53 0.384 -1.552 7.894 1.00 1.00 H new ATOM 0 HG12 ILE A 53 -1.672 -1.397 5.668 1.00 1.00 H new ATOM 0 HG13 ILE A 53 -0.834 0.062 6.159 1.00 1.00 H new ATOM 0 HG21 ILE A 53 -0.574 -3.625 6.932 1.00 1.00 H new ATOM 0 HG22 ILE A 53 -1.091 -3.400 8.620 1.00 1.00 H new ATOM 0 HG23 ILE A 53 -2.214 -3.032 7.289 1.00 1.00 H new ATOM 0 HD11 ILE A 53 0.389 -1.077 4.327 1.00 1.00 H new ATOM 0 HD12 ILE A 53 1.363 -1.070 5.816 1.00 1.00 H new ATOM 0 HD13 ILE A 53 0.511 -2.551 5.318 1.00 1.00 H new ATOM 814 N TYR A 54 -0.058 -0.350 10.431 1.00 1.00 N ATOM 815 CA TYR A 54 0.386 -0.555 11.839 1.00 1.00 C ATOM 816 C TYR A 54 -0.211 0.535 12.729 1.00 1.00 C ATOM 817 O TYR A 54 0.311 0.835 13.785 1.00 1.00 O ATOM 818 CB TYR A 54 1.913 -0.484 11.913 1.00 1.00 C ATOM 819 CG TYR A 54 2.504 -1.801 11.472 1.00 1.00 C ATOM 820 CD1 TYR A 54 2.047 -2.421 10.303 1.00 1.00 C ATOM 821 CD2 TYR A 54 3.514 -2.403 12.233 1.00 1.00 C ATOM 822 CE1 TYR A 54 2.599 -3.641 9.896 1.00 1.00 C ATOM 823 CE2 TYR A 54 4.065 -3.623 11.827 1.00 1.00 C ATOM 824 CZ TYR A 54 3.607 -4.242 10.658 1.00 1.00 C ATOM 825 OH TYR A 54 4.150 -5.446 10.258 1.00 1.00 O ATOM 0 H TYR A 54 0.512 0.302 9.892 1.00 1.00 H new ATOM 0 HA TYR A 54 0.049 -1.533 12.182 1.00 1.00 H new ATOM 0 HB2 TYR A 54 2.281 0.322 11.278 1.00 1.00 H new ATOM 0 HB3 TYR A 54 2.227 -0.256 12.931 1.00 1.00 H new ATOM 0 HD1 TYR A 54 1.268 -1.958 9.715 1.00 1.00 H new ATOM 0 HD2 TYR A 54 3.868 -1.925 13.134 1.00 1.00 H new ATOM 0 HE1 TYR A 54 2.247 -4.119 8.994 1.00 1.00 H new ATOM 0 HE2 TYR A 54 4.843 -4.087 12.415 1.00 1.00 H new ATOM 0 HH TYR A 54 4.838 -5.723 10.898 1.00 1.00 H new ATOM 835 N TYR A 55 -1.287 1.144 12.318 1.00 1.00 N ATOM 836 CA TYR A 55 -1.880 2.222 13.155 1.00 1.00 C ATOM 837 C TYR A 55 -3.375 2.371 12.846 1.00 1.00 C ATOM 838 O TYR A 55 -3.816 3.425 12.428 1.00 1.00 O ATOM 839 CB TYR A 55 -1.159 3.545 12.861 1.00 1.00 C ATOM 840 CG TYR A 55 -1.101 4.381 14.116 1.00 1.00 C ATOM 841 CD1 TYR A 55 -0.036 4.230 15.013 1.00 1.00 C ATOM 842 CD2 TYR A 55 -2.111 5.313 14.380 1.00 1.00 C ATOM 843 CE1 TYR A 55 0.017 5.011 16.175 1.00 1.00 C ATOM 844 CE2 TYR A 55 -2.056 6.095 15.540 1.00 1.00 C ATOM 845 CZ TYR A 55 -0.993 5.942 16.437 1.00 1.00 C ATOM 846 OH TYR A 55 -0.940 6.714 17.580 1.00 1.00 O ATOM 0 H TYR A 55 -1.778 0.944 11.446 1.00 1.00 H new ATOM 0 HA TYR A 55 -1.763 1.964 14.207 1.00 1.00 H new ATOM 0 HB2 TYR A 55 -0.151 3.348 12.497 1.00 1.00 H new ATOM 0 HB3 TYR A 55 -1.682 4.088 12.074 1.00 1.00 H new ATOM 0 HD1 TYR A 55 0.744 3.512 14.809 1.00 1.00 H new ATOM 0 HD2 TYR A 55 -2.933 5.429 13.689 1.00 1.00 H new ATOM 0 HE1 TYR A 55 0.837 4.894 16.868 1.00 1.00 H new ATOM 0 HE2 TYR A 55 -2.834 6.816 15.742 1.00 1.00 H new ATOM 0 HH TYR A 55 -1.718 7.310 17.609 1.00 1.00 H new ATOM 856 N PRO A 56 -4.109 1.315 13.076 1.00 1.00 N ATOM 857 CA PRO A 56 -5.564 1.291 12.851 1.00 1.00 C ATOM 858 C PRO A 56 -6.286 1.961 14.025 1.00 1.00 C ATOM 859 O PRO A 56 -5.902 1.805 15.168 1.00 1.00 O ATOM 860 CB PRO A 56 -5.891 -0.204 12.785 1.00 1.00 C ATOM 861 CG PRO A 56 -4.746 -0.937 13.525 1.00 1.00 C ATOM 862 CD PRO A 56 -3.556 0.044 13.580 1.00 1.00 C ATOM 0 HA PRO A 56 -5.875 1.826 11.954 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -6.852 -0.412 13.255 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -5.962 -0.540 11.751 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -5.056 -1.226 14.529 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -4.470 -1.852 13.001 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -3.175 0.151 14.596 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -2.727 -0.302 12.963 1.00 1.00 H new ATOM 870 N LYS A 57 -7.320 2.712 13.756 1.00 1.00 N ATOM 871 CA LYS A 57 -8.053 3.392 14.857 1.00 1.00 C ATOM 872 C LYS A 57 -8.242 2.425 16.025 1.00 1.00 C ATOM 873 O LYS A 57 -8.214 1.222 15.859 1.00 1.00 O ATOM 874 CB LYS A 57 -9.422 3.857 14.354 1.00 1.00 C ATOM 875 CG LYS A 57 -9.532 5.376 14.504 1.00 1.00 C ATOM 876 CD LYS A 57 -10.843 5.859 13.879 1.00 1.00 C ATOM 877 CE LYS A 57 -11.879 6.096 14.979 1.00 1.00 C ATOM 878 NZ LYS A 57 -12.884 7.094 14.510 1.00 1.00 N ATOM 0 H LYS A 57 -7.687 2.883 12.820 1.00 1.00 H new ATOM 0 HA LYS A 57 -7.477 4.255 15.191 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -9.553 3.574 13.310 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -10.215 3.367 14.919 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -9.497 5.651 15.558 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -8.685 5.862 14.019 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -10.674 6.780 13.320 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -11.214 5.119 13.170 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -12.374 5.159 15.235 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -11.389 6.456 15.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -13.588 7.255 15.258 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -12.405 7.990 14.286 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -13.360 6.734 13.658 1.00 1.00 H new ATOM 892 N GLU A 58 -8.440 2.938 17.209 1.00 1.00 N ATOM 893 CA GLU A 58 -8.634 2.045 18.385 1.00 1.00 C ATOM 894 C GLU A 58 -10.083 1.560 18.407 1.00 1.00 C ATOM 895 O GLU A 58 -10.931 2.124 19.069 1.00 1.00 O ATOM 896 CB GLU A 58 -8.326 2.811 19.673 1.00 1.00 C ATOM 897 CG GLU A 58 -8.695 1.945 20.882 1.00 1.00 C ATOM 898 CD GLU A 58 -9.835 2.609 21.658 1.00 1.00 C ATOM 899 OE1 GLU A 58 -9.626 3.700 22.162 1.00 1.00 O ATOM 900 OE2 GLU A 58 -10.897 2.012 21.738 1.00 1.00 O ATOM 0 H GLU A 58 -8.476 3.937 17.412 1.00 1.00 H new ATOM 0 HA GLU A 58 -7.961 1.191 18.312 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -7.269 3.073 19.709 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -8.887 3.745 19.696 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -8.996 0.951 20.552 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -7.827 1.817 21.529 1.00 1.00 H new ATOM 907 N GLY A 59 -10.369 0.520 17.679 1.00 1.00 N ATOM 908 CA GLY A 59 -11.761 -0.008 17.641 1.00 1.00 C ATOM 909 C GLY A 59 -12.185 -0.206 16.186 1.00 1.00 C ATOM 910 O GLY A 59 -13.241 -0.735 15.904 1.00 1.00 O ATOM 0 H GLY A 59 -9.697 0.010 17.106 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -11.819 -0.953 18.181 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -12.439 0.685 18.139 1.00 1.00 H new ATOM 914 N ASP A 60 -11.368 0.213 15.257 1.00 1.00 N ATOM 915 CA ASP A 60 -11.726 0.047 13.822 1.00 1.00 C ATOM 916 C ASP A 60 -11.230 -1.312 13.329 1.00 1.00 C ATOM 917 O ASP A 60 -11.248 -2.290 14.050 1.00 1.00 O ATOM 918 CB ASP A 60 -11.068 1.159 13.007 1.00 1.00 C ATOM 919 CG ASP A 60 -11.904 1.446 11.757 1.00 1.00 C ATOM 920 OD1 ASP A 60 -12.843 0.704 11.515 1.00 1.00 O ATOM 921 OD2 ASP A 60 -11.593 2.401 11.067 1.00 1.00 O ATOM 0 H ASP A 60 -10.469 0.663 15.431 1.00 1.00 H new ATOM 0 HA ASP A 60 -12.808 0.101 13.704 1.00 1.00 H new ATOM 0 HB2 ASP A 60 -10.978 2.062 13.611 1.00 1.00 H new ATOM 0 HB3 ASP A 60 -10.058 0.865 12.721 1.00 1.00 H new ATOM 926 N ASP A 61 -10.789 -1.382 12.106 1.00 1.00 N ATOM 927 CA ASP A 61 -10.294 -2.676 11.563 1.00 1.00 C ATOM 928 C ASP A 61 -9.047 -2.427 10.710 1.00 1.00 C ATOM 929 O ASP A 61 -8.993 -1.498 9.930 1.00 1.00 O ATOM 930 CB ASP A 61 -11.381 -3.313 10.696 1.00 1.00 C ATOM 931 CG ASP A 61 -12.757 -2.990 11.281 1.00 1.00 C ATOM 932 OD1 ASP A 61 -13.103 -3.581 12.292 1.00 1.00 O ATOM 933 OD2 ASP A 61 -13.441 -2.158 10.710 1.00 1.00 O ATOM 0 H ASP A 61 -10.750 -0.596 11.457 1.00 1.00 H new ATOM 0 HA ASP A 61 -10.045 -3.345 12.387 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -11.312 -2.939 9.675 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -11.238 -4.393 10.650 1.00 1.00 H new ATOM 938 N ASP A 62 -8.045 -3.252 10.852 1.00 1.00 N ATOM 939 CA ASP A 62 -6.807 -3.063 10.048 1.00 1.00 C ATOM 940 C ASP A 62 -6.966 -3.739 8.686 1.00 1.00 C ATOM 941 O ASP A 62 -6.066 -4.393 8.197 1.00 1.00 O ATOM 942 CB ASP A 62 -5.630 -3.668 10.779 1.00 1.00 C ATOM 943 CG ASP A 62 -4.474 -2.670 10.825 1.00 1.00 C ATOM 944 OD1 ASP A 62 -4.578 -1.641 10.175 1.00 1.00 O ATOM 945 OD2 ASP A 62 -3.505 -2.953 11.506 1.00 1.00 O ATOM 0 H ASP A 62 -8.032 -4.048 11.490 1.00 1.00 H new ATOM 0 HA ASP A 62 -6.634 -1.997 9.902 1.00 1.00 H new ATOM 0 HB2 ASP A 62 -5.923 -3.944 11.792 1.00 1.00 H new ATOM 0 HB3 ASP A 62 -5.312 -4.583 10.279 1.00 1.00 H new ATOM 950 N SER A 63 -8.104 -3.586 8.066 1.00 1.00 N ATOM 951 CA SER A 63 -8.319 -4.218 6.735 1.00 1.00 C ATOM 952 C SER A 63 -7.381 -3.573 5.713 1.00 1.00 C ATOM 953 O SER A 63 -6.852 -2.505 5.949 1.00 1.00 O ATOM 954 CB SER A 63 -9.771 -4.011 6.300 1.00 1.00 C ATOM 955 OG SER A 63 -10.612 -4.030 7.446 1.00 1.00 O ATOM 0 H SER A 63 -8.894 -3.050 8.425 1.00 1.00 H new ATOM 0 HA SER A 63 -8.110 -5.286 6.799 1.00 1.00 H new ATOM 0 HB2 SER A 63 -9.874 -3.061 5.775 1.00 1.00 H new ATOM 0 HB3 SER A 63 -10.069 -4.794 5.603 1.00 1.00 H new ATOM 0 HG SER A 63 -11.543 -3.896 7.171 1.00 1.00 H new ATOM 961 N PRO A 64 -7.205 -4.244 4.605 1.00 1.00 N ATOM 962 CA PRO A 64 -6.331 -3.765 3.520 1.00 1.00 C ATOM 963 C PRO A 64 -7.032 -2.671 2.711 1.00 1.00 C ATOM 964 O PRO A 64 -6.593 -1.539 2.671 1.00 1.00 O ATOM 965 CB PRO A 64 -6.103 -5.014 2.665 1.00 1.00 C ATOM 966 CG PRO A 64 -7.281 -5.970 2.968 1.00 1.00 C ATOM 967 CD PRO A 64 -7.858 -5.540 4.331 1.00 1.00 C ATOM 0 HA PRO A 64 -5.401 -3.326 3.881 1.00 1.00 H new ATOM 0 HB2 PRO A 64 -6.072 -4.759 1.606 1.00 1.00 H new ATOM 0 HB3 PRO A 64 -5.150 -5.483 2.908 1.00 1.00 H new ATOM 0 HG2 PRO A 64 -8.041 -5.908 2.189 1.00 1.00 H new ATOM 0 HG3 PRO A 64 -6.941 -7.005 3.000 1.00 1.00 H new ATOM 0 HD2 PRO A 64 -8.943 -5.439 4.291 1.00 1.00 H new ATOM 0 HD3 PRO A 64 -7.634 -6.271 5.108 1.00 1.00 H new ATOM 975 N SER A 65 -8.117 -3.002 2.065 1.00 1.00 N ATOM 976 CA SER A 65 -8.848 -1.987 1.256 1.00 1.00 C ATOM 977 C SER A 65 -8.909 -0.657 2.013 1.00 1.00 C ATOM 978 O SER A 65 -8.843 0.400 1.423 1.00 1.00 O ATOM 979 CB SER A 65 -10.269 -2.482 0.985 1.00 1.00 C ATOM 980 OG SER A 65 -10.781 -1.831 -0.170 1.00 1.00 O ATOM 0 H SER A 65 -8.529 -3.935 2.063 1.00 1.00 H new ATOM 0 HA SER A 65 -8.323 -1.837 0.313 1.00 1.00 H new ATOM 0 HB2 SER A 65 -10.268 -3.562 0.837 1.00 1.00 H new ATOM 0 HB3 SER A 65 -10.908 -2.278 1.845 1.00 1.00 H new ATOM 0 HG SER A 65 -11.149 -2.499 -0.786 1.00 1.00 H new ATOM 986 N GLY A 66 -9.054 -0.697 3.311 1.00 1.00 N ATOM 987 CA GLY A 66 -9.137 0.554 4.093 1.00 1.00 C ATOM 988 C GLY A 66 -7.881 1.386 3.913 1.00 1.00 C ATOM 989 O GLY A 66 -7.920 2.547 3.561 1.00 1.00 O ATOM 0 H GLY A 66 -9.118 -1.554 3.860 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -10.008 1.129 3.777 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -9.275 0.320 5.149 1.00 1.00 H new ATOM 993 N ILE A 67 -6.777 0.788 4.168 1.00 1.00 N ATOM 994 CA ILE A 67 -5.471 1.501 4.036 1.00 1.00 C ATOM 995 C ILE A 67 -5.283 1.952 2.584 1.00 1.00 C ATOM 996 O ILE A 67 -4.690 2.977 2.310 1.00 1.00 O ATOM 997 CB ILE A 67 -4.328 0.561 4.440 1.00 1.00 C ATOM 998 CG1 ILE A 67 -4.291 0.429 5.966 1.00 1.00 C ATOM 999 CG2 ILE A 67 -2.994 1.133 3.954 1.00 1.00 C ATOM 1000 CD1 ILE A 67 -4.869 -0.926 6.385 1.00 1.00 C ATOM 0 H ILE A 67 -6.705 -0.184 4.469 1.00 1.00 H new ATOM 0 HA ILE A 67 -5.464 2.373 4.689 1.00 1.00 H new ATOM 0 HB ILE A 67 -4.492 -0.418 3.989 1.00 1.00 H new ATOM 0 HG12 ILE A 67 -3.266 0.523 6.323 1.00 1.00 H new ATOM 0 HG13 ILE A 67 -4.863 1.236 6.424 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -2.184 0.463 4.243 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -3.014 1.232 2.869 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -2.832 2.112 4.404 1.00 1.00 H new ATOM 0 HD11 ILE A 67 -4.840 -1.014 7.471 1.00 1.00 H new ATOM 0 HD12 ILE A 67 -5.901 -1.003 6.042 1.00 1.00 H new ATOM 0 HD13 ILE A 67 -4.278 -1.727 5.940 1.00 1.00 H new ATOM 1012 N VAL A 68 -5.802 1.198 1.656 1.00 1.00 N ATOM 1013 CA VAL A 68 -5.684 1.573 0.218 1.00 1.00 C ATOM 1014 C VAL A 68 -6.694 2.674 -0.061 1.00 1.00 C ATOM 1015 O VAL A 68 -6.573 3.430 -1.000 1.00 1.00 O ATOM 1016 CB VAL A 68 -6.014 0.351 -0.640 1.00 1.00 C ATOM 1017 CG1 VAL A 68 -5.239 0.401 -1.960 1.00 1.00 C ATOM 1018 CG2 VAL A 68 -5.642 -0.920 0.123 1.00 1.00 C ATOM 0 H VAL A 68 -6.308 0.330 1.833 1.00 1.00 H new ATOM 0 HA VAL A 68 -4.676 1.916 -0.013 1.00 1.00 H new ATOM 0 HB VAL A 68 -7.082 0.351 -0.859 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -5.485 -0.476 -2.560 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -5.511 1.303 -2.508 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.169 0.411 -1.753 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -5.877 -1.792 -0.487 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -4.575 -0.910 0.348 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -6.208 -0.965 1.053 1.00 1.00 H new ATOM 1028 N ASN A 69 -7.689 2.762 0.768 1.00 1.00 N ATOM 1029 CA ASN A 69 -8.722 3.816 0.594 1.00 1.00 C ATOM 1030 C ASN A 69 -8.165 5.126 1.144 1.00 1.00 C ATOM 1031 O ASN A 69 -8.461 6.202 0.656 1.00 1.00 O ATOM 1032 CB ASN A 69 -9.981 3.425 1.374 1.00 1.00 C ATOM 1033 CG ASN A 69 -11.158 4.287 0.913 1.00 1.00 C ATOM 1034 OD1 ASN A 69 -11.029 5.487 0.770 1.00 1.00 O ATOM 1035 ND2 ASN A 69 -12.310 3.723 0.673 1.00 1.00 N ATOM 0 H ASN A 69 -7.834 2.144 1.567 1.00 1.00 H new ATOM 0 HA ASN A 69 -8.976 3.929 -0.460 1.00 1.00 H new ATOM 0 HB2 ASN A 69 -10.206 2.370 1.216 1.00 1.00 H new ATOM 0 HB3 ASN A 69 -9.815 3.559 2.443 1.00 1.00 H new ATOM 0 HD21 ASN A 69 -13.101 4.289 0.366 1.00 1.00 H new ATOM 0 HD22 ASN A 69 -12.420 2.716 0.793 1.00 1.00 H new ATOM 1042 N THR A 70 -7.345 5.037 2.155 1.00 1.00 N ATOM 1043 CA THR A 70 -6.745 6.253 2.748 1.00 1.00 C ATOM 1044 C THR A 70 -5.708 6.808 1.768 1.00 1.00 C ATOM 1045 O THR A 70 -5.586 8.004 1.596 1.00 1.00 O ATOM 1046 CB THR A 70 -6.103 5.860 4.090 1.00 1.00 C ATOM 1047 OG1 THR A 70 -6.934 6.304 5.153 1.00 1.00 O ATOM 1048 CG2 THR A 70 -4.717 6.481 4.244 1.00 1.00 C ATOM 0 H THR A 70 -7.065 4.161 2.596 1.00 1.00 H new ATOM 0 HA THR A 70 -7.491 7.026 2.931 1.00 1.00 H new ATOM 0 HB THR A 70 -5.998 4.775 4.116 1.00 1.00 H new ATOM 0 HG1 THR A 70 -6.530 6.054 6.010 1.00 1.00 H new ATOM 0 HG21 THR A 70 -4.290 6.185 5.202 1.00 1.00 H new ATOM 0 HG22 THR A 70 -4.072 6.135 3.436 1.00 1.00 H new ATOM 0 HG23 THR A 70 -4.798 7.567 4.204 1.00 1.00 H new ATOM 1056 N VAL A 71 -4.968 5.948 1.122 1.00 1.00 N ATOM 1057 CA VAL A 71 -3.951 6.436 0.149 1.00 1.00 C ATOM 1058 C VAL A 71 -4.660 6.940 -1.101 1.00 1.00 C ATOM 1059 O VAL A 71 -4.394 8.012 -1.590 1.00 1.00 O ATOM 1060 CB VAL A 71 -2.983 5.314 -0.219 1.00 1.00 C ATOM 1061 CG1 VAL A 71 -3.587 4.420 -1.292 1.00 1.00 C ATOM 1062 CG2 VAL A 71 -1.695 5.940 -0.751 1.00 1.00 C ATOM 0 H VAL A 71 -5.023 4.935 1.225 1.00 1.00 H new ATOM 0 HA VAL A 71 -3.381 7.247 0.602 1.00 1.00 H new ATOM 0 HB VAL A 71 -2.779 4.708 0.664 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -2.884 3.626 -1.542 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -4.513 3.981 -0.921 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -3.798 5.012 -2.183 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -0.991 5.152 -1.019 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -1.920 6.541 -1.632 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -1.254 6.574 0.018 1.00 1.00 H new ATOM 1072 N LYS A 72 -5.560 6.167 -1.620 1.00 1.00 N ATOM 1073 CA LYS A 72 -6.290 6.602 -2.840 1.00 1.00 C ATOM 1074 C LYS A 72 -6.700 8.065 -2.676 1.00 1.00 C ATOM 1075 O LYS A 72 -6.643 8.845 -3.607 1.00 1.00 O ATOM 1076 CB LYS A 72 -7.534 5.733 -3.034 1.00 1.00 C ATOM 1077 CG LYS A 72 -7.157 4.469 -3.809 1.00 1.00 C ATOM 1078 CD LYS A 72 -8.377 3.555 -3.923 1.00 1.00 C ATOM 1079 CE LYS A 72 -9.529 4.323 -4.573 1.00 1.00 C ATOM 1080 NZ LYS A 72 -10.467 4.797 -3.516 1.00 1.00 N ATOM 0 H LYS A 72 -5.825 5.252 -1.256 1.00 1.00 H new ATOM 0 HA LYS A 72 -5.646 6.497 -3.713 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -7.959 5.466 -2.066 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -8.299 6.290 -3.575 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -6.794 4.734 -4.802 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -6.345 3.948 -3.302 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -8.131 2.675 -4.517 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -8.673 3.201 -2.936 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -9.142 5.171 -5.138 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -10.055 3.682 -5.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -11.310 4.188 -3.502 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -9.995 4.757 -2.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -10.751 5.777 -3.718 1.00 1.00 H new ATOM 1094 N GLN A 73 -7.100 8.451 -1.495 1.00 1.00 N ATOM 1095 CA GLN A 73 -7.494 9.865 -1.270 1.00 1.00 C ATOM 1096 C GLN A 73 -6.248 10.686 -0.924 1.00 1.00 C ATOM 1097 O GLN A 73 -6.181 11.871 -1.185 1.00 1.00 O ATOM 1098 CB GLN A 73 -8.496 9.942 -0.115 1.00 1.00 C ATOM 1099 CG GLN A 73 -9.881 9.516 -0.608 1.00 1.00 C ATOM 1100 CD GLN A 73 -10.956 10.170 0.262 1.00 1.00 C ATOM 1101 OE1 GLN A 73 -11.811 10.875 -0.238 1.00 1.00 O ATOM 1102 NE2 GLN A 73 -10.952 9.964 1.551 1.00 1.00 N ATOM 0 H GLN A 73 -7.170 7.845 -0.677 1.00 1.00 H new ATOM 0 HA GLN A 73 -7.956 10.264 -2.173 1.00 1.00 H new ATOM 0 HB2 GLN A 73 -8.175 9.296 0.702 1.00 1.00 H new ATOM 0 HB3 GLN A 73 -8.535 10.958 0.279 1.00 1.00 H new ATOM 0 HG2 GLN A 73 -10.014 9.808 -1.650 1.00 1.00 H new ATOM 0 HG3 GLN A 73 -9.975 8.431 -0.567 1.00 1.00 H new ATOM 0 HE21 GLN A 73 -10.235 9.373 1.971 1.00 1.00 H new ATOM 0 HE22 GLN A 73 -11.666 10.394 2.138 1.00 1.00 H new ATOM 1111 N TRP A 74 -5.261 10.063 -0.337 1.00 1.00 N ATOM 1112 CA TRP A 74 -4.018 10.799 0.029 1.00 1.00 C ATOM 1113 C TRP A 74 -3.360 11.365 -1.227 1.00 1.00 C ATOM 1114 O TRP A 74 -3.118 12.539 -1.325 1.00 1.00 O ATOM 1115 CB TRP A 74 -3.035 9.846 0.707 1.00 1.00 C ATOM 1116 CG TRP A 74 -1.839 10.621 1.164 1.00 1.00 C ATOM 1117 CD1 TRP A 74 -1.789 11.385 2.280 1.00 1.00 C ATOM 1118 CD2 TRP A 74 -0.528 10.727 0.536 1.00 1.00 C ATOM 1119 NE1 TRP A 74 -0.531 11.951 2.377 1.00 1.00 N ATOM 1120 CE2 TRP A 74 0.283 11.576 1.327 1.00 1.00 C ATOM 1121 CE3 TRP A 74 0.031 10.173 -0.629 1.00 1.00 C ATOM 1122 CZ2 TRP A 74 1.601 11.868 0.970 1.00 1.00 C ATOM 1123 CZ3 TRP A 74 1.357 10.463 -0.989 1.00 1.00 C ATOM 1124 CH2 TRP A 74 2.141 11.307 -0.191 1.00 1.00 C ATOM 0 H TRP A 74 -5.263 9.072 -0.095 1.00 1.00 H new ATOM 0 HA TRP A 74 -4.279 11.611 0.708 1.00 1.00 H new ATOM 0 HB2 TRP A 74 -3.512 9.355 1.555 1.00 1.00 H new ATOM 0 HB3 TRP A 74 -2.732 9.062 0.013 1.00 1.00 H new ATOM 0 HD1 TRP A 74 -2.599 11.529 2.980 1.00 1.00 H new ATOM 0 HE1 TRP A 74 -0.240 12.571 3.133 1.00 1.00 H new ATOM 0 HE3 TRP A 74 -0.563 9.520 -1.251 1.00 1.00 H new ATOM 0 HZ2 TRP A 74 2.199 12.523 1.587 1.00 1.00 H new ATOM 0 HZ3 TRP A 74 1.775 10.033 -1.887 1.00 1.00 H new ATOM 0 HH2 TRP A 74 3.161 11.524 -0.473 1.00 1.00 H new ATOM 1135 N ARG A 75 -3.064 10.524 -2.179 1.00 1.00 N ATOM 1136 CA ARG A 75 -2.415 10.969 -3.428 1.00 1.00 C ATOM 1137 C ARG A 75 -3.262 12.037 -4.123 1.00 1.00 C ATOM 1138 O ARG A 75 -2.770 13.077 -4.498 1.00 1.00 O ATOM 1139 CB ARG A 75 -2.292 9.750 -4.339 1.00 1.00 C ATOM 1140 CG ARG A 75 -1.676 8.560 -3.585 1.00 1.00 C ATOM 1141 CD ARG A 75 -0.158 8.568 -3.753 1.00 1.00 C ATOM 1142 NE ARG A 75 0.200 8.345 -5.179 1.00 1.00 N ATOM 1143 CZ ARG A 75 1.458 8.307 -5.536 1.00 1.00 C ATOM 1144 NH1 ARG A 75 2.395 8.558 -4.663 1.00 1.00 N ATOM 1145 NH2 ARG A 75 1.779 8.018 -6.765 1.00 1.00 N ATOM 0 H ARG A 75 -3.253 9.523 -2.135 1.00 1.00 H new ATOM 0 HA ARG A 75 -1.438 11.399 -3.209 1.00 1.00 H new ATOM 0 HB2 ARG A 75 -3.276 9.475 -4.719 1.00 1.00 H new ATOM 0 HB3 ARG A 75 -1.674 9.997 -5.202 1.00 1.00 H new ATOM 0 HG2 ARG A 75 -1.934 8.615 -2.527 1.00 1.00 H new ATOM 0 HG3 ARG A 75 -2.088 7.625 -3.965 1.00 1.00 H new ATOM 0 HD2 ARG A 75 0.248 9.521 -3.413 1.00 1.00 H new ATOM 0 HD3 ARG A 75 0.288 7.791 -3.132 1.00 1.00 H new ATOM 0 HE ARG A 75 -0.533 8.222 -5.877 1.00 1.00 H new ATOM 0 HH11 ARG A 75 2.147 8.784 -3.700 1.00 1.00 H new ATOM 0 HH12 ARG A 75 3.375 8.528 -4.944 1.00 1.00 H new ATOM 0 HH21 ARG A 75 1.049 7.821 -7.450 1.00 1.00 H new ATOM 0 HH22 ARG A 75 2.760 7.989 -7.042 1.00 1.00 H new ATOM 1159 N ALA A 76 -4.529 11.799 -4.308 1.00 1.00 N ATOM 1160 CA ALA A 76 -5.364 12.818 -4.991 1.00 1.00 C ATOM 1161 C ALA A 76 -5.250 14.128 -4.230 1.00 1.00 C ATOM 1162 O ALA A 76 -5.512 15.195 -4.749 1.00 1.00 O ATOM 1163 CB ALA A 76 -6.824 12.359 -5.018 1.00 1.00 C ATOM 0 H ALA A 76 -5.017 10.951 -4.019 1.00 1.00 H new ATOM 0 HA ALA A 76 -5.020 12.953 -6.017 1.00 1.00 H new ATOM 0 HB1 ALA A 76 -7.433 13.111 -5.521 1.00 1.00 H new ATOM 0 HB2 ALA A 76 -6.898 11.414 -5.555 1.00 1.00 H new ATOM 0 HB3 ALA A 76 -7.182 12.225 -3.997 1.00 1.00 H new ATOM 1169 N ALA A 77 -4.850 14.049 -2.997 1.00 1.00 N ATOM 1170 CA ALA A 77 -4.701 15.274 -2.179 1.00 1.00 C ATOM 1171 C ALA A 77 -3.336 15.888 -2.447 1.00 1.00 C ATOM 1172 O ALA A 77 -3.209 17.053 -2.767 1.00 1.00 O ATOM 1173 CB ALA A 77 -4.782 14.904 -0.710 1.00 1.00 C ATOM 0 H ALA A 77 -4.618 13.179 -2.518 1.00 1.00 H new ATOM 0 HA ALA A 77 -5.490 15.982 -2.433 1.00 1.00 H new ATOM 0 HB1 ALA A 77 -4.673 15.802 -0.102 1.00 1.00 H new ATOM 0 HB2 ALA A 77 -5.747 14.441 -0.504 1.00 1.00 H new ATOM 0 HB3 ALA A 77 -3.984 14.202 -0.467 1.00 1.00 H new ATOM 1179 N ASN A 78 -2.314 15.092 -2.323 1.00 1.00 N ATOM 1180 CA ASN A 78 -0.954 15.559 -2.565 1.00 1.00 C ATOM 1181 C ASN A 78 -0.709 15.582 -4.068 1.00 1.00 C ATOM 1182 O ASN A 78 0.391 15.811 -4.528 1.00 1.00 O ATOM 1183 CB ASN A 78 -0.015 14.571 -1.891 1.00 1.00 C ATOM 1184 CG ASN A 78 -0.048 14.796 -0.383 1.00 1.00 C ATOM 1185 OD1 ASN A 78 0.800 15.468 0.165 1.00 1.00 O ATOM 1186 ND2 ASN A 78 -1.007 14.254 0.311 1.00 1.00 N ATOM 0 H ASN A 78 -2.383 14.110 -2.055 1.00 1.00 H new ATOM 0 HA ASN A 78 -0.792 16.561 -2.169 1.00 1.00 H new ATOM 0 HB2 ASN A 78 -0.314 13.549 -2.125 1.00 1.00 H new ATOM 0 HB3 ASN A 78 1.000 14.700 -2.268 1.00 1.00 H new ATOM 0 HD21 ASN A 78 -1.048 14.394 1.321 1.00 1.00 H new ATOM 0 HD22 ASN A 78 -1.718 13.690 -0.155 1.00 1.00 H new ATOM 1193 N GLY A 79 -1.734 15.334 -4.841 1.00 1.00 N ATOM 1194 CA GLY A 79 -1.553 15.329 -6.316 1.00 1.00 C ATOM 1195 C GLY A 79 -0.337 14.472 -6.642 1.00 1.00 C ATOM 1196 O GLY A 79 0.579 14.896 -7.319 1.00 1.00 O ATOM 0 H GLY A 79 -2.680 15.137 -4.515 1.00 1.00 H new ATOM 0 HA2 GLY A 79 -2.441 14.931 -6.807 1.00 1.00 H new ATOM 0 HA3 GLY A 79 -1.413 16.345 -6.685 1.00 1.00 H new ATOM 1200 N LYS A 80 -0.318 13.263 -6.151 1.00 1.00 N ATOM 1201 CA LYS A 80 0.843 12.375 -6.418 1.00 1.00 C ATOM 1202 C LYS A 80 0.706 11.779 -7.818 1.00 1.00 C ATOM 1203 O LYS A 80 0.142 12.387 -8.706 1.00 1.00 O ATOM 1204 CB LYS A 80 0.904 11.268 -5.365 1.00 1.00 C ATOM 1205 CG LYS A 80 1.042 11.906 -3.984 1.00 1.00 C ATOM 1206 CD LYS A 80 2.124 12.990 -4.013 1.00 1.00 C ATOM 1207 CE LYS A 80 2.738 13.130 -2.618 1.00 1.00 C ATOM 1208 NZ LYS A 80 3.500 14.410 -2.536 1.00 1.00 N ATOM 0 H LYS A 80 -1.056 12.854 -5.578 1.00 1.00 H new ATOM 0 HA LYS A 80 1.768 12.950 -6.365 1.00 1.00 H new ATOM 0 HB2 LYS A 80 0.003 10.656 -5.409 1.00 1.00 H new ATOM 0 HB3 LYS A 80 1.748 10.607 -5.561 1.00 1.00 H new ATOM 0 HG2 LYS A 80 0.090 12.339 -3.678 1.00 1.00 H new ATOM 0 HG3 LYS A 80 1.298 11.145 -3.247 1.00 1.00 H new ATOM 0 HD2 LYS A 80 2.895 12.730 -4.738 1.00 1.00 H new ATOM 0 HD3 LYS A 80 1.695 13.940 -4.331 1.00 1.00 H new ATOM 0 HE2 LYS A 80 1.954 13.112 -1.861 1.00 1.00 H new ATOM 0 HE3 LYS A 80 3.399 12.287 -2.414 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 3.627 14.675 -1.538 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 4.431 14.289 -2.983 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 2.974 15.159 -3.029 1.00 1.00 H new ATOM 1222 N SER A 81 1.212 10.602 -8.029 1.00 1.00 N ATOM 1223 CA SER A 81 1.106 9.983 -9.383 1.00 1.00 C ATOM 1224 C SER A 81 -0.165 9.138 -9.467 1.00 1.00 C ATOM 1225 O SER A 81 -0.563 8.705 -10.531 1.00 1.00 O ATOM 1226 CB SER A 81 2.325 9.099 -9.649 1.00 1.00 C ATOM 1227 OG SER A 81 3.455 9.923 -9.905 1.00 1.00 O ATOM 0 H SER A 81 1.694 10.039 -7.328 1.00 1.00 H new ATOM 0 HA SER A 81 1.065 10.774 -10.132 1.00 1.00 H new ATOM 0 HB2 SER A 81 2.517 8.456 -8.790 1.00 1.00 H new ATOM 0 HB3 SER A 81 2.136 8.446 -10.501 1.00 1.00 H new ATOM 0 HG SER A 81 4.239 9.360 -10.074 1.00 1.00 H new ATOM 1233 N GLY A 82 -0.805 8.893 -8.358 1.00 1.00 N ATOM 1234 CA GLY A 82 -2.042 8.072 -8.378 1.00 1.00 C ATOM 1235 C GLY A 82 -1.749 6.732 -9.047 1.00 1.00 C ATOM 1236 O GLY A 82 -0.642 6.466 -9.471 1.00 1.00 O ATOM 0 H GLY A 82 -0.522 9.228 -7.437 1.00 1.00 H new ATOM 0 HA2 GLY A 82 -2.403 7.913 -7.362 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -2.831 8.596 -8.918 1.00 1.00 H new ATOM 1240 N PHE A 83 -2.732 5.891 -9.141 1.00 1.00 N ATOM 1241 CA PHE A 83 -2.550 4.588 -9.758 1.00 1.00 C ATOM 1242 C PHE A 83 -2.659 4.717 -11.270 1.00 1.00 C ATOM 1243 O PHE A 83 -3.167 5.687 -11.795 1.00 1.00 O ATOM 1244 CB PHE A 83 -3.667 3.705 -9.252 1.00 1.00 C ATOM 1245 CG PHE A 83 -3.738 3.782 -7.748 1.00 1.00 C ATOM 1246 CD1 PHE A 83 -4.533 4.758 -7.135 1.00 1.00 C ATOM 1247 CD2 PHE A 83 -3.014 2.877 -6.966 1.00 1.00 C ATOM 1248 CE1 PHE A 83 -4.601 4.829 -5.739 1.00 1.00 C ATOM 1249 CE2 PHE A 83 -3.083 2.947 -5.570 1.00 1.00 C ATOM 1250 CZ PHE A 83 -3.877 3.923 -4.956 1.00 1.00 C ATOM 0 H PHE A 83 -3.676 6.072 -8.801 1.00 1.00 H new ATOM 0 HA PHE A 83 -1.572 4.173 -9.513 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -4.616 4.019 -9.686 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -3.498 2.675 -9.565 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -5.094 5.456 -7.739 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -2.401 2.124 -7.439 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -5.212 5.583 -5.266 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -2.524 2.248 -4.966 1.00 1.00 H new ATOM 0 HZ PHE A 83 -3.931 3.977 -3.879 1.00 1.00 H new ATOM 1260 N LYS A 84 -2.191 3.735 -11.965 1.00 1.00 N ATOM 1261 CA LYS A 84 -2.255 3.756 -13.436 1.00 1.00 C ATOM 1262 C LYS A 84 -3.683 4.081 -13.884 1.00 1.00 C ATOM 1263 O LYS A 84 -4.560 4.314 -13.078 1.00 1.00 O ATOM 1264 CB LYS A 84 -1.843 2.393 -14.006 1.00 1.00 C ATOM 1265 CG LYS A 84 -1.636 1.322 -12.928 1.00 1.00 C ATOM 1266 CD LYS A 84 -1.268 -0.008 -13.598 1.00 1.00 C ATOM 1267 CE LYS A 84 -2.167 -0.245 -14.817 1.00 1.00 C ATOM 1268 NZ LYS A 84 -2.375 -1.709 -15.007 1.00 1.00 N ATOM 0 H LYS A 84 -1.758 2.902 -11.567 1.00 1.00 H new ATOM 0 HA LYS A 84 -1.570 4.519 -13.806 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -2.608 2.053 -14.704 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -0.921 2.509 -14.575 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -0.846 1.628 -12.242 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -2.544 1.205 -12.336 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -0.222 0.006 -13.904 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -1.381 -0.827 -12.887 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -3.126 0.254 -14.677 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -1.710 0.186 -15.708 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -2.985 -1.869 -15.834 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -1.457 -2.173 -15.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -2.829 -2.108 -14.160 1.00 1.00 H new ATOM 1282 N GLN A 85 -3.921 4.100 -15.169 1.00 1.00 N ATOM 1283 CA GLN A 85 -5.289 4.411 -15.674 1.00 1.00 C ATOM 1284 C GLN A 85 -6.032 3.107 -15.976 1.00 1.00 C ATOM 1285 O GLN A 85 -5.501 2.026 -15.812 1.00 1.00 O ATOM 1286 CB GLN A 85 -5.183 5.245 -16.953 1.00 1.00 C ATOM 1287 CG GLN A 85 -6.349 6.234 -17.015 1.00 1.00 C ATOM 1288 CD GLN A 85 -5.941 7.457 -17.839 1.00 1.00 C ATOM 1289 OE1 GLN A 85 -5.694 8.515 -17.296 1.00 1.00 O ATOM 1290 NE2 GLN A 85 -5.859 7.356 -19.138 1.00 1.00 N ATOM 0 H GLN A 85 -3.225 3.913 -15.891 1.00 1.00 H new ATOM 0 HA GLN A 85 -5.836 4.973 -14.917 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -4.235 5.782 -16.972 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -5.198 4.594 -17.827 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -7.221 5.756 -17.462 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -6.634 6.540 -16.008 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -6.066 6.468 -19.595 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -5.588 8.165 -19.696 1.00 1.00 H new ATOM 1299 N GLY A 86 -7.288 3.252 -16.425 1.00 1.00 N ATOM 1300 CA GLY A 86 -8.107 2.100 -16.750 1.00 0.00 C ATOM 1301 C GLY A 86 -9.404 2.545 -17.411 1.00 0.00 C ATOM 1302 O GLY A 86 -10.240 1.715 -17.763 1.00 0.00 O ATOM 0 H GLY A 86 -7.746 4.153 -16.567 1.00 1.00 H new ATOM 0 HA2 GLY A 86 -7.561 1.433 -17.417 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -8.327 1.535 -15.845 1.00 0.00 H new TER 1306 GLY A 86