USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 602 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -3.76! C(o=-3.8!,f=-1.5!) USER MOD Single : A 17 SER OG : rot -24:sc= -4.55! USER MOD Single : A 18 LYS NZ :NH3+ -104:sc= -1.1 (180deg=-3.84!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.23 K(o=-2.2,f=-1.4) USER MOD Single : A 40 GLN : amide:sc= -0.858 K(o=-0.86,f=-4.5!) USER MOD Single : A 44 HIS : no HD1:sc= -0.416 X(o=-0.42,f=-0.26) USER MOD Single : A 45 SER OG : rot 47:sc= -0.166 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -6.97! C(o=-7!,f=-7.7!) USER MOD Single : A 56 HIS : no HD1:sc= -0.876 K(o=-0.88,f=0.17) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= -0.125 (180deg=-0.789) USER MOD Single : A 71 GLN : amide:sc= -0.0085 K(o=-0.0085,f=-0.72) USER MOD Single : A 73 THR OG1 : rot -50:sc= 0.7 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -6.72! C(o=-6.7!,f=-16!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 8 9.082 -1.427 20.899 1.00 0.00 N ATOM 2 CA TYR A 8 9.023 -1.778 19.454 1.00 0.00 C ATOM 3 C TYR A 8 9.358 -3.256 19.262 1.00 0.00 C ATOM 4 O TYR A 8 10.503 -3.628 19.105 1.00 0.00 O ATOM 5 CB TYR A 8 10.026 -0.932 18.667 1.00 0.00 C ATOM 6 CG TYR A 8 10.114 -1.461 17.252 1.00 0.00 C ATOM 7 CD1 TYR A 8 8.964 -1.942 16.613 1.00 0.00 C ATOM 8 CD2 TYR A 8 11.343 -1.472 16.582 1.00 0.00 C ATOM 9 CE1 TYR A 8 9.044 -2.434 15.304 1.00 0.00 C ATOM 10 CE2 TYR A 8 11.422 -1.964 15.273 1.00 0.00 C ATOM 11 CZ TYR A 8 10.274 -2.443 14.634 1.00 0.00 C ATOM 12 OH TYR A 8 10.353 -2.927 13.344 1.00 0.00 O ATOM 0 HA TYR A 8 8.015 -1.581 19.089 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.714 0.112 18.660 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.005 -0.968 19.144 1.00 0.00 H new ATOM 0 HD1 TYR A 8 8.016 -1.933 17.130 1.00 0.00 H new ATOM 0 HD2 TYR A 8 12.230 -1.101 17.074 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.158 -2.806 14.812 1.00 0.00 H new ATOM 0 HE2 TYR A 8 12.370 -1.973 14.757 1.00 0.00 H new ATOM 0 HH TYR A 8 11.278 -2.861 13.026 1.00 0.00 H new ATOM 22 N VAL A 9 8.365 -4.100 19.247 1.00 0.00 N ATOM 23 CA VAL A 9 8.630 -5.552 19.035 1.00 0.00 C ATOM 24 C VAL A 9 8.242 -5.908 17.601 1.00 0.00 C ATOM 25 O VAL A 9 7.161 -5.596 17.144 1.00 0.00 O ATOM 26 CB VAL A 9 7.810 -6.402 20.015 1.00 0.00 C ATOM 27 CG1 VAL A 9 8.702 -6.835 21.182 1.00 0.00 C ATOM 28 CG2 VAL A 9 6.627 -5.593 20.555 1.00 0.00 C ATOM 0 H VAL A 9 7.384 -3.850 19.372 1.00 0.00 H new ATOM 0 HA VAL A 9 9.687 -5.756 19.208 1.00 0.00 H new ATOM 0 HB VAL A 9 7.432 -7.280 19.492 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.121 -7.439 21.879 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.538 -7.422 20.802 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.082 -5.952 21.696 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.053 -6.207 21.249 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.997 -4.709 21.074 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.987 -5.287 19.727 1.00 0.00 H new ATOM 38 N ALA A 10 9.122 -6.548 16.880 1.00 0.00 N ATOM 39 CA ALA A 10 8.807 -6.909 15.470 1.00 0.00 C ATOM 40 C ALA A 10 7.434 -7.584 15.406 1.00 0.00 C ATOM 41 O ALA A 10 6.976 -8.150 16.378 1.00 0.00 O ATOM 42 CB ALA A 10 9.876 -7.865 14.942 1.00 0.00 C ATOM 0 H ALA A 10 10.044 -6.836 17.207 1.00 0.00 H new ATOM 0 HA ALA A 10 8.791 -6.007 14.858 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.648 -8.131 13.910 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.851 -7.380 14.985 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.892 -8.767 15.554 1.00 0.00 H new ATOM 48 N PRO A 11 6.817 -7.497 14.254 1.00 0.00 N ATOM 49 CA PRO A 11 5.485 -8.083 14.019 1.00 0.00 C ATOM 50 C PRO A 11 5.584 -9.601 13.851 1.00 0.00 C ATOM 51 O PRO A 11 6.586 -10.123 13.403 1.00 0.00 O ATOM 52 CB PRO A 11 5.020 -7.411 12.722 1.00 0.00 C ATOM 53 CG PRO A 11 6.298 -6.924 12.001 1.00 0.00 C ATOM 54 CD PRO A 11 7.393 -6.810 13.079 1.00 0.00 C ATOM 0 HA PRO A 11 4.794 -7.921 14.846 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.465 -8.112 12.098 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.352 -6.576 12.935 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.594 -7.625 11.220 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.128 -5.962 11.518 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.321 -7.283 12.756 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.626 -5.769 13.301 1.00 0.00 H new ATOM 62 N THR A 12 4.551 -10.312 14.213 1.00 0.00 N ATOM 63 CA THR A 12 4.582 -11.795 14.082 1.00 0.00 C ATOM 64 C THR A 12 3.524 -12.247 13.076 1.00 0.00 C ATOM 65 O THR A 12 3.283 -13.425 12.903 1.00 0.00 O ATOM 66 CB THR A 12 4.287 -12.426 15.441 1.00 0.00 C ATOM 67 OG1 THR A 12 5.296 -12.047 16.365 1.00 0.00 O ATOM 68 CG2 THR A 12 4.261 -13.947 15.301 1.00 0.00 C ATOM 0 H THR A 12 3.686 -9.929 14.594 1.00 0.00 H new ATOM 0 HA THR A 12 5.567 -12.107 13.735 1.00 0.00 H new ATOM 0 HB THR A 12 3.318 -12.081 15.802 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.108 -12.450 17.238 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.051 -14.398 16.271 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.485 -14.234 14.591 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.229 -14.296 14.941 1.00 0.00 H new ATOM 76 N ASN A 13 2.893 -11.323 12.408 1.00 0.00 N ATOM 77 CA ASN A 13 1.854 -11.704 11.414 1.00 0.00 C ATOM 78 C ASN A 13 1.852 -10.668 10.297 1.00 0.00 C ATOM 79 O ASN A 13 1.880 -9.478 10.545 1.00 0.00 O ATOM 80 CB ASN A 13 0.478 -11.739 12.087 1.00 0.00 C ATOM 81 CG ASN A 13 0.630 -12.098 13.569 1.00 0.00 C ATOM 82 OD1 ASN A 13 0.338 -11.296 14.433 1.00 0.00 O ATOM 83 ND2 ASN A 13 1.079 -13.277 13.901 1.00 0.00 N ATOM 0 H ASN A 13 3.052 -10.320 12.508 1.00 0.00 H new ATOM 0 HA ASN A 13 2.071 -12.692 11.009 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.010 -10.769 11.987 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.161 -12.470 11.591 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.184 -13.524 14.885 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.325 -13.952 13.177 1.00 0.00 H new ATOM 90 N ALA A 14 1.834 -11.096 9.069 1.00 0.00 N ATOM 91 CA ALA A 14 1.847 -10.110 7.961 1.00 0.00 C ATOM 92 C ALA A 14 0.696 -9.126 8.143 1.00 0.00 C ATOM 93 O ALA A 14 0.802 -7.979 7.765 1.00 0.00 O ATOM 94 CB ALA A 14 1.721 -10.815 6.618 1.00 0.00 C ATOM 0 H ALA A 14 1.811 -12.076 8.787 1.00 0.00 H new ATOM 0 HA ALA A 14 2.794 -9.570 7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.732 -10.076 5.817 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.556 -11.503 6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.784 -11.371 6.585 1.00 0.00 H new ATOM 100 N VAL A 15 -0.397 -9.534 8.739 1.00 0.00 N ATOM 101 CA VAL A 15 -1.500 -8.556 8.944 1.00 0.00 C ATOM 102 C VAL A 15 -0.869 -7.304 9.541 1.00 0.00 C ATOM 103 O VAL A 15 -1.115 -6.188 9.113 1.00 0.00 O ATOM 104 CB VAL A 15 -2.546 -9.111 9.894 1.00 0.00 C ATOM 105 CG1 VAL A 15 -3.817 -8.274 9.750 1.00 0.00 C ATOM 106 CG2 VAL A 15 -2.841 -10.566 9.523 1.00 0.00 C ATOM 0 H VAL A 15 -0.568 -10.479 9.084 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.000 -8.340 8.000 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.188 -9.071 10.923 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.583 -8.656 10.425 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.599 -7.236 10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.177 -8.332 8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.592 -10.970 10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.215 -10.612 8.500 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.927 -11.154 9.602 1.00 0.00 H new ATOM 116 N GLU A 16 0.006 -7.501 10.492 1.00 0.00 N ATOM 117 CA GLU A 16 0.726 -6.355 11.085 1.00 0.00 C ATOM 118 C GLU A 16 1.722 -5.874 10.034 1.00 0.00 C ATOM 119 O GLU A 16 1.855 -4.696 9.785 1.00 0.00 O ATOM 120 CB GLU A 16 1.466 -6.796 12.351 1.00 0.00 C ATOM 121 CG GLU A 16 0.664 -6.370 13.583 1.00 0.00 C ATOM 122 CD GLU A 16 0.281 -7.607 14.397 1.00 0.00 C ATOM 123 OE1 GLU A 16 -0.136 -8.582 13.796 1.00 0.00 O ATOM 124 OE2 GLU A 16 0.412 -7.558 15.609 1.00 0.00 O ATOM 0 H GLU A 16 0.248 -8.413 10.880 1.00 0.00 H new ATOM 0 HA GLU A 16 0.036 -5.559 11.365 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.602 -7.877 12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.460 -6.350 12.378 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.253 -5.687 14.195 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.233 -5.831 13.277 1.00 0.00 H new ATOM 131 N SER A 17 2.410 -6.789 9.388 1.00 0.00 N ATOM 132 CA SER A 17 3.371 -6.363 8.331 1.00 0.00 C ATOM 133 C SER A 17 2.672 -5.345 7.424 1.00 0.00 C ATOM 134 O SER A 17 3.180 -4.267 7.163 1.00 0.00 O ATOM 135 CB SER A 17 3.834 -7.562 7.500 1.00 0.00 C ATOM 136 OG SER A 17 2.793 -7.969 6.624 1.00 0.00 O ATOM 0 H SER A 17 2.346 -7.795 9.547 1.00 0.00 H new ATOM 0 HA SER A 17 4.249 -5.918 8.799 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.722 -7.298 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.112 -8.386 8.157 1.00 0.00 H new ATOM 0 HG SER A 17 1.929 -7.679 6.985 1.00 0.00 H new ATOM 142 N LYS A 18 1.494 -5.673 6.956 1.00 0.00 N ATOM 143 CA LYS A 18 0.741 -4.728 6.084 1.00 0.00 C ATOM 144 C LYS A 18 0.470 -3.450 6.868 1.00 0.00 C ATOM 145 O LYS A 18 1.034 -2.408 6.594 1.00 0.00 O ATOM 146 CB LYS A 18 -0.594 -5.364 5.677 1.00 0.00 C ATOM 147 CG LYS A 18 -1.527 -4.299 5.083 1.00 0.00 C ATOM 148 CD LYS A 18 -1.078 -3.973 3.663 1.00 0.00 C ATOM 149 CE LYS A 18 -0.138 -2.767 3.685 1.00 0.00 C ATOM 150 NZ LYS A 18 1.164 -3.140 3.062 1.00 0.00 N ATOM 0 H LYS A 18 1.022 -6.558 7.142 1.00 0.00 H new ATOM 0 HA LYS A 18 1.323 -4.503 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.421 -6.155 4.947 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.064 -5.828 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.555 -4.661 5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.509 -3.399 5.698 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.572 -4.833 3.225 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.944 -3.760 3.037 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.586 -1.933 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.020 -2.434 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.877 -3.279 3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.050 -4.021 2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.474 -2.380 2.423 1.00 0.00 H new ATOM 164 N LEU A 19 -0.397 -3.531 7.842 1.00 0.00 N ATOM 165 CA LEU A 19 -0.718 -2.327 8.658 1.00 0.00 C ATOM 166 C LEU A 19 0.566 -1.549 8.940 1.00 0.00 C ATOM 167 O LEU A 19 0.574 -0.335 8.976 1.00 0.00 O ATOM 168 CB LEU A 19 -1.370 -2.754 9.974 1.00 0.00 C ATOM 169 CG LEU A 19 -2.882 -2.545 9.879 1.00 0.00 C ATOM 170 CD1 LEU A 19 -3.417 -3.228 8.619 1.00 0.00 C ATOM 171 CD2 LEU A 19 -3.556 -3.149 11.111 1.00 0.00 C ATOM 0 H LEU A 19 -0.896 -4.380 8.107 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.412 -1.690 8.110 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.148 -3.801 10.180 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.962 -2.173 10.801 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.098 -1.478 9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.495 -3.078 8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.936 -2.798 7.740 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.202 -4.296 8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.634 -3.001 11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.338 -4.216 11.158 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.177 -2.661 12.009 1.00 0.00 H new ATOM 183 N ALA A 20 1.659 -2.232 9.120 1.00 0.00 N ATOM 184 CA ALA A 20 2.937 -1.520 9.373 1.00 0.00 C ATOM 185 C ALA A 20 3.256 -0.654 8.155 1.00 0.00 C ATOM 186 O ALA A 20 3.502 0.533 8.268 1.00 0.00 O ATOM 187 CB ALA A 20 4.058 -2.539 9.590 1.00 0.00 C ATOM 0 H ALA A 20 1.722 -3.250 9.103 1.00 0.00 H new ATOM 0 HA ALA A 20 2.850 -0.896 10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.995 -2.015 9.776 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.818 -3.167 10.448 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.160 -3.162 8.701 1.00 0.00 H new ATOM 193 N GLU A 21 3.240 -1.238 6.985 1.00 0.00 N ATOM 194 CA GLU A 21 3.530 -0.443 5.760 1.00 0.00 C ATOM 195 C GLU A 21 2.482 0.666 5.616 1.00 0.00 C ATOM 196 O GLU A 21 2.814 1.832 5.543 1.00 0.00 O ATOM 197 CB GLU A 21 3.494 -1.357 4.532 1.00 0.00 C ATOM 198 CG GLU A 21 4.665 -1.015 3.609 1.00 0.00 C ATOM 199 CD GLU A 21 4.175 -0.983 2.160 1.00 0.00 C ATOM 200 OE1 GLU A 21 3.134 -0.393 1.922 1.00 0.00 O ATOM 201 OE2 GLU A 21 4.848 -1.549 1.315 1.00 0.00 O ATOM 0 H GLU A 21 3.040 -2.226 6.827 1.00 0.00 H new ATOM 0 HA GLU A 21 4.521 0.004 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.553 -2.401 4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.550 -1.234 4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.089 -0.049 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.458 -1.754 3.720 1.00 0.00 H new ATOM 208 N ILE A 22 1.220 0.324 5.585 1.00 0.00 N ATOM 209 CA ILE A 22 0.176 1.384 5.458 1.00 0.00 C ATOM 210 C ILE A 22 0.404 2.432 6.540 1.00 0.00 C ATOM 211 O ILE A 22 0.448 3.617 6.279 1.00 0.00 O ATOM 212 CB ILE A 22 -1.221 0.776 5.601 1.00 0.00 C ATOM 213 CG1 ILE A 22 -2.231 1.843 6.022 1.00 0.00 C ATOM 214 CG2 ILE A 22 -1.205 -0.317 6.638 1.00 0.00 C ATOM 215 CD1 ILE A 22 -2.379 2.869 4.903 1.00 0.00 C ATOM 0 H ILE A 22 0.870 -0.632 5.641 1.00 0.00 H new ATOM 0 HA ILE A 22 0.247 1.848 4.474 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.513 0.365 4.635 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.195 1.382 6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.899 2.332 6.938 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.204 -0.743 6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.505 -1.096 6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.895 0.096 7.598 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.099 3.631 5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.414 3.337 4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.730 2.373 3.998 1.00 0.00 H new ATOM 227 N TRP A 23 0.542 1.995 7.751 1.00 0.00 N ATOM 228 CA TRP A 23 0.759 2.946 8.868 1.00 0.00 C ATOM 229 C TRP A 23 1.820 3.976 8.486 1.00 0.00 C ATOM 230 O TRP A 23 1.578 5.163 8.490 1.00 0.00 O ATOM 231 CB TRP A 23 1.254 2.180 10.089 1.00 0.00 C ATOM 232 CG TRP A 23 0.099 1.705 10.900 1.00 0.00 C ATOM 233 CD1 TRP A 23 -0.995 1.076 10.412 1.00 0.00 C ATOM 234 CD2 TRP A 23 -0.087 1.802 12.335 1.00 0.00 C ATOM 235 NE1 TRP A 23 -1.839 0.773 11.465 1.00 0.00 N ATOM 236 CE2 TRP A 23 -1.322 1.204 12.669 1.00 0.00 C ATOM 237 CE3 TRP A 23 0.693 2.347 13.371 1.00 0.00 C ATOM 238 CZ2 TRP A 23 -1.766 1.144 13.983 1.00 0.00 C ATOM 239 CZ3 TRP A 23 0.246 2.291 14.699 1.00 0.00 C ATOM 240 CH2 TRP A 23 -0.980 1.692 15.004 1.00 0.00 C ATOM 0 H TRP A 23 0.514 1.011 8.020 1.00 0.00 H new ATOM 0 HA TRP A 23 -0.182 3.452 9.086 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.860 1.331 9.774 1.00 0.00 H new ATOM 0 HB3 TRP A 23 1.894 2.821 10.695 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.179 0.848 9.372 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.732 0.291 11.364 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.641 2.811 13.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.712 0.678 14.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 0.851 2.712 15.489 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.321 1.652 16.028 1.00 0.00 H new ATOM 251 N GLU A 24 3.008 3.529 8.185 1.00 0.00 N ATOM 252 CA GLU A 24 4.091 4.489 7.837 1.00 0.00 C ATOM 253 C GLU A 24 3.706 5.283 6.579 1.00 0.00 C ATOM 254 O GLU A 24 4.006 6.454 6.457 1.00 0.00 O ATOM 255 CB GLU A 24 5.407 3.705 7.630 1.00 0.00 C ATOM 256 CG GLU A 24 5.982 3.927 6.224 1.00 0.00 C ATOM 257 CD GLU A 24 7.242 3.077 6.047 1.00 0.00 C ATOM 258 OE1 GLU A 24 7.190 1.902 6.369 1.00 0.00 O ATOM 259 OE2 GLU A 24 8.237 3.617 5.595 1.00 0.00 O ATOM 0 H GLU A 24 3.274 2.545 8.165 1.00 0.00 H new ATOM 0 HA GLU A 24 4.234 5.205 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.138 4.017 8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.226 2.642 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.241 3.659 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.218 4.981 6.079 1.00 0.00 H new ATOM 266 N ARG A 25 3.059 4.651 5.642 1.00 0.00 N ATOM 267 CA ARG A 25 2.673 5.361 4.391 1.00 0.00 C ATOM 268 C ARG A 25 1.742 6.535 4.712 1.00 0.00 C ATOM 269 O ARG A 25 1.941 7.640 4.247 1.00 0.00 O ATOM 270 CB ARG A 25 1.954 4.380 3.458 1.00 0.00 C ATOM 271 CG ARG A 25 1.238 5.154 2.347 1.00 0.00 C ATOM 272 CD ARG A 25 1.375 4.395 1.028 1.00 0.00 C ATOM 273 NE ARG A 25 2.806 4.048 0.803 1.00 0.00 N ATOM 274 CZ ARG A 25 3.132 3.218 -0.151 1.00 0.00 C ATOM 275 NH1 ARG A 25 2.691 1.991 -0.124 1.00 0.00 N ATOM 276 NH2 ARG A 25 3.899 3.616 -1.129 1.00 0.00 N ATOM 0 H ARG A 25 2.780 3.671 5.688 1.00 0.00 H new ATOM 0 HA ARG A 25 3.571 5.746 3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.671 3.683 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.235 3.787 4.023 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.185 5.281 2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.665 6.152 2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.769 3.489 1.052 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.003 5.005 0.205 1.00 0.00 H new ATOM 0 HE ARG A 25 3.530 4.458 1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.092 1.681 0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.945 1.341 -0.868 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.244 4.576 -1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.153 2.967 -1.874 1.00 0.00 H new ATOM 290 N VAL A 26 0.719 6.301 5.484 1.00 0.00 N ATOM 291 CA VAL A 26 -0.236 7.407 5.814 1.00 0.00 C ATOM 292 C VAL A 26 0.233 8.178 7.044 1.00 0.00 C ATOM 293 O VAL A 26 0.271 9.393 7.051 1.00 0.00 O ATOM 294 CB VAL A 26 -1.641 6.862 6.087 1.00 0.00 C ATOM 295 CG1 VAL A 26 -2.545 7.199 4.902 1.00 0.00 C ATOM 296 CG2 VAL A 26 -1.611 5.346 6.285 1.00 0.00 C ATOM 0 H VAL A 26 0.499 5.397 5.902 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.267 8.072 4.951 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.023 7.321 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.548 6.814 5.088 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.589 8.281 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.144 6.743 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.621 4.984 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.220 4.869 5.386 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.971 5.102 7.133 1.00 0.00 H new ATOM 306 N LEU A 27 0.572 7.485 8.089 1.00 0.00 N ATOM 307 CA LEU A 27 1.019 8.175 9.331 1.00 0.00 C ATOM 308 C LEU A 27 2.316 8.945 9.061 1.00 0.00 C ATOM 309 O LEU A 27 2.758 9.737 9.869 1.00 0.00 O ATOM 310 CB LEU A 27 1.231 7.134 10.432 1.00 0.00 C ATOM 311 CG LEU A 27 -0.065 6.336 10.618 1.00 0.00 C ATOM 312 CD1 LEU A 27 0.070 5.403 11.821 1.00 0.00 C ATOM 313 CD2 LEU A 27 -1.237 7.296 10.853 1.00 0.00 C ATOM 0 H LEU A 27 0.560 6.466 8.140 1.00 0.00 H new ATOM 0 HA LEU A 27 0.259 8.887 9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.050 6.466 10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.509 7.624 11.365 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.251 5.748 9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.853 4.838 11.949 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.897 4.713 11.655 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.263 5.991 12.718 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.155 6.724 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.048 7.889 11.748 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.342 7.959 9.994 1.00 0.00 H new ATOM 325 N GLY A 28 2.921 8.733 7.921 1.00 0.00 N ATOM 326 CA GLY A 28 4.175 9.468 7.589 1.00 0.00 C ATOM 327 C GLY A 28 5.271 9.123 8.596 1.00 0.00 C ATOM 328 O GLY A 28 5.809 9.987 9.259 1.00 0.00 O ATOM 0 H GLY A 28 2.599 8.081 7.205 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.502 9.209 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.989 10.542 7.597 1.00 0.00 H new ATOM 332 N VAL A 29 5.614 7.872 8.713 1.00 0.00 N ATOM 333 CA VAL A 29 6.685 7.485 9.677 1.00 0.00 C ATOM 334 C VAL A 29 7.608 6.458 9.026 1.00 0.00 C ATOM 335 O VAL A 29 7.302 5.897 7.993 1.00 0.00 O ATOM 336 CB VAL A 29 6.077 6.876 10.949 1.00 0.00 C ATOM 337 CG1 VAL A 29 6.515 7.698 12.161 1.00 0.00 C ATOM 338 CG2 VAL A 29 4.548 6.875 10.864 1.00 0.00 C ATOM 0 H VAL A 29 5.202 7.102 8.186 1.00 0.00 H new ATOM 0 HA VAL A 29 7.247 8.379 9.947 1.00 0.00 H new ATOM 0 HB VAL A 29 6.425 5.848 11.049 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.085 7.269 13.066 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.602 7.686 12.235 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.170 8.726 12.048 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.133 6.440 11.773 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.189 7.898 10.755 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.232 6.286 10.003 1.00 0.00 H new ATOM 348 N SER A 30 8.735 6.198 9.629 1.00 0.00 N ATOM 349 CA SER A 30 9.671 5.198 9.051 1.00 0.00 C ATOM 350 C SER A 30 10.018 4.159 10.118 1.00 0.00 C ATOM 351 O SER A 30 11.048 4.233 10.760 1.00 0.00 O ATOM 352 CB SER A 30 10.950 5.893 8.583 1.00 0.00 C ATOM 353 OG SER A 30 11.738 4.970 7.842 1.00 0.00 O ATOM 0 H SER A 30 9.047 6.635 10.496 1.00 0.00 H new ATOM 0 HA SER A 30 9.198 4.709 8.199 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.704 6.757 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.512 6.263 9.441 1.00 0.00 H new ATOM 0 HG SER A 30 12.559 5.411 7.538 1.00 0.00 H new ATOM 359 N GLY A 31 9.165 3.195 10.316 1.00 0.00 N ATOM 360 CA GLY A 31 9.437 2.153 11.345 1.00 0.00 C ATOM 361 C GLY A 31 8.139 1.833 12.088 1.00 0.00 C ATOM 362 O GLY A 31 7.537 0.797 11.888 1.00 0.00 O ATOM 0 H GLY A 31 8.288 3.083 9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.832 1.253 10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.194 2.505 12.045 1.00 0.00 H new ATOM 366 N ILE A 32 7.699 2.720 12.938 1.00 0.00 N ATOM 367 CA ILE A 32 6.435 2.472 13.685 1.00 0.00 C ATOM 368 C ILE A 32 6.582 1.208 14.541 1.00 0.00 C ATOM 369 O ILE A 32 7.229 0.255 14.153 1.00 0.00 O ATOM 370 CB ILE A 32 5.290 2.302 12.683 1.00 0.00 C ATOM 371 CG1 ILE A 32 4.964 3.655 12.048 1.00 0.00 C ATOM 372 CG2 ILE A 32 4.052 1.780 13.405 1.00 0.00 C ATOM 373 CD1 ILE A 32 4.474 3.442 10.615 1.00 0.00 C ATOM 0 H ILE A 32 8.161 3.605 13.147 1.00 0.00 H new ATOM 0 HA ILE A 32 6.219 3.315 14.341 1.00 0.00 H new ATOM 0 HB ILE A 32 5.590 1.594 11.911 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.200 4.168 12.632 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.848 4.292 12.050 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.238 1.660 12.690 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.277 0.817 13.864 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.755 2.490 14.177 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.242 4.406 10.163 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.252 2.947 10.034 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.578 2.821 10.625 1.00 0.00 H new ATOM 385 N GLY A 33 5.997 1.200 15.711 1.00 0.00 N ATOM 386 CA GLY A 33 6.113 0.009 16.604 1.00 0.00 C ATOM 387 C GLY A 33 5.022 -1.022 16.269 1.00 0.00 C ATOM 388 O GLY A 33 4.969 -1.535 15.168 1.00 0.00 O ATOM 0 H GLY A 33 5.443 1.969 16.087 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.098 -0.444 16.490 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.023 0.318 17.646 1.00 0.00 H new ATOM 392 N ILE A 34 4.158 -1.346 17.205 1.00 0.00 N ATOM 393 CA ILE A 34 3.095 -2.351 16.917 1.00 0.00 C ATOM 394 C ILE A 34 1.844 -2.036 17.744 1.00 0.00 C ATOM 395 O ILE A 34 0.805 -1.715 17.205 1.00 0.00 O ATOM 396 CB ILE A 34 3.617 -3.754 17.258 1.00 0.00 C ATOM 397 CG1 ILE A 34 2.438 -4.716 17.453 1.00 0.00 C ATOM 398 CG2 ILE A 34 4.447 -3.700 18.542 1.00 0.00 C ATOM 399 CD1 ILE A 34 2.941 -6.160 17.420 1.00 0.00 C ATOM 0 H ILE A 34 4.147 -0.958 18.148 1.00 0.00 H new ATOM 0 HA ILE A 34 2.833 -2.313 15.860 1.00 0.00 H new ATOM 0 HB ILE A 34 4.241 -4.109 16.438 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.945 -4.514 18.404 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.696 -4.561 16.670 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.815 -4.698 18.780 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.292 -3.026 18.401 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.826 -3.338 19.361 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.101 -6.841 17.559 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.414 -6.359 16.458 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.666 -6.311 18.219 1.00 0.00 H new ATOM 411 N LEU A 35 1.915 -2.117 19.046 1.00 0.00 N ATOM 412 CA LEU A 35 0.701 -1.815 19.847 1.00 0.00 C ATOM 413 C LEU A 35 0.647 -0.314 20.156 1.00 0.00 C ATOM 414 O LEU A 35 0.166 0.102 21.192 1.00 0.00 O ATOM 415 CB LEU A 35 0.701 -2.601 21.155 1.00 0.00 C ATOM 416 CG LEU A 35 -0.451 -3.603 21.140 1.00 0.00 C ATOM 417 CD1 LEU A 35 -0.194 -4.686 22.185 1.00 0.00 C ATOM 418 CD2 LEU A 35 -1.760 -2.880 21.463 1.00 0.00 C ATOM 0 H LEU A 35 2.746 -2.374 19.579 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.174 -2.106 19.266 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.650 -3.122 21.280 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.597 -1.922 22.001 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.524 -4.060 20.153 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.015 -5.403 22.176 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.739 -5.200 21.954 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.122 -4.229 23.172 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.583 -3.595 21.452 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.689 -2.423 22.450 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.942 -2.106 20.717 1.00 0.00 H new ATOM 430 N ASP A 36 1.148 0.499 19.265 1.00 0.00 N ATOM 431 CA ASP A 36 1.148 1.976 19.497 1.00 0.00 C ATOM 432 C ASP A 36 -0.280 2.497 19.675 1.00 0.00 C ATOM 433 O ASP A 36 -1.247 1.824 19.378 1.00 0.00 O ATOM 434 CB ASP A 36 1.768 2.679 18.287 1.00 0.00 C ATOM 435 CG ASP A 36 3.275 2.834 18.499 1.00 0.00 C ATOM 436 OD1 ASP A 36 3.776 2.288 19.468 1.00 0.00 O ATOM 437 OD2 ASP A 36 3.903 3.498 17.691 1.00 0.00 O ATOM 0 H ASP A 36 1.560 0.203 18.380 1.00 0.00 H new ATOM 0 HA ASP A 36 1.723 2.181 20.400 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.575 2.104 17.382 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.308 3.657 18.147 1.00 0.00 H new ATOM 442 N ASN A 37 -0.405 3.713 20.139 1.00 0.00 N ATOM 443 CA ASN A 37 -1.752 4.322 20.324 1.00 0.00 C ATOM 444 C ASN A 37 -1.922 5.436 19.286 1.00 0.00 C ATOM 445 O ASN A 37 -2.461 6.489 19.564 1.00 0.00 O ATOM 446 CB ASN A 37 -1.860 4.907 21.734 1.00 0.00 C ATOM 447 CG ASN A 37 -3.209 5.607 21.898 1.00 0.00 C ATOM 448 OD1 ASN A 37 -3.266 6.764 22.262 1.00 0.00 O ATOM 449 ND2 ASN A 37 -4.307 4.949 21.642 1.00 0.00 N ATOM 0 H ASN A 37 0.377 4.314 20.399 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.529 3.569 20.195 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.758 4.115 22.476 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.049 5.614 21.908 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.212 5.407 21.748 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.260 3.977 21.336 1.00 0.00 H new ATOM 456 N PHE A 38 -1.465 5.193 18.087 1.00 0.00 N ATOM 457 CA PHE A 38 -1.580 6.204 16.992 1.00 0.00 C ATOM 458 C PHE A 38 -0.797 7.469 17.331 1.00 0.00 C ATOM 459 O PHE A 38 0.064 7.880 16.578 1.00 0.00 O ATOM 460 CB PHE A 38 -3.062 6.542 16.763 1.00 0.00 C ATOM 461 CG PHE A 38 -3.769 5.361 16.130 1.00 0.00 C ATOM 462 CD1 PHE A 38 -3.103 4.136 15.995 1.00 0.00 C ATOM 463 CD2 PHE A 38 -5.088 5.486 15.674 1.00 0.00 C ATOM 464 CE1 PHE A 38 -3.743 3.049 15.413 1.00 0.00 C ATOM 465 CE2 PHE A 38 -5.725 4.388 15.091 1.00 0.00 C ATOM 466 CZ PHE A 38 -5.050 3.167 14.962 1.00 0.00 C ATOM 0 H PHE A 38 -1.009 4.322 17.814 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.157 5.782 16.080 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.537 6.796 17.711 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.149 7.417 16.119 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.086 4.036 16.345 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.610 6.427 15.773 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.221 2.109 15.311 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.742 4.481 14.738 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.546 2.319 14.512 1.00 0.00 H new ATOM 476 N PHE A 39 -1.063 8.102 18.437 1.00 0.00 N ATOM 477 CA PHE A 39 -0.291 9.332 18.746 1.00 0.00 C ATOM 478 C PHE A 39 1.007 8.974 19.466 1.00 0.00 C ATOM 479 O PHE A 39 1.608 9.798 20.125 1.00 0.00 O ATOM 480 CB PHE A 39 -1.106 10.303 19.595 1.00 0.00 C ATOM 481 CG PHE A 39 -0.683 11.694 19.201 1.00 0.00 C ATOM 482 CD1 PHE A 39 -1.241 12.293 18.067 1.00 0.00 C ATOM 483 CD2 PHE A 39 0.298 12.365 19.940 1.00 0.00 C ATOM 484 CE1 PHE A 39 -0.824 13.567 17.674 1.00 0.00 C ATOM 485 CE2 PHE A 39 0.721 13.636 19.542 1.00 0.00 C ATOM 486 CZ PHE A 39 0.160 14.238 18.410 1.00 0.00 C ATOM 0 H PHE A 39 -1.765 7.829 19.125 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.056 9.823 17.802 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.173 10.162 19.425 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.927 10.131 20.656 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.994 11.771 17.495 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.727 11.901 20.816 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.260 14.034 16.803 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.481 14.154 20.108 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.486 15.221 18.104 1.00 0.00 H new ATOM 496 N GLN A 40 1.463 7.764 19.314 1.00 0.00 N ATOM 497 CA GLN A 40 2.743 7.373 19.956 1.00 0.00 C ATOM 498 C GLN A 40 3.882 7.873 19.057 1.00 0.00 C ATOM 499 O GLN A 40 5.048 7.717 19.361 1.00 0.00 O ATOM 500 CB GLN A 40 2.806 5.833 20.064 1.00 0.00 C ATOM 501 CG GLN A 40 2.173 5.382 21.384 1.00 0.00 C ATOM 502 CD GLN A 40 3.110 5.723 22.544 1.00 0.00 C ATOM 503 OE1 GLN A 40 4.015 6.520 22.395 1.00 0.00 O ATOM 504 NE2 GLN A 40 2.930 5.149 23.703 1.00 0.00 N ATOM 0 H GLN A 40 1.004 7.031 18.773 1.00 0.00 H new ATOM 0 HA GLN A 40 2.827 7.802 20.954 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.281 5.378 19.224 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.842 5.497 20.013 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.210 5.873 21.524 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.983 4.309 21.360 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.170 4.480 23.828 1.00 0.00 H new ATOM 0 HE22 GLN A 40 3.549 5.370 24.483 1.00 0.00 H new ATOM 513 N ILE A 41 3.535 8.477 17.944 1.00 0.00 N ATOM 514 CA ILE A 41 4.559 8.998 16.998 1.00 0.00 C ATOM 515 C ILE A 41 3.843 9.524 15.749 1.00 0.00 C ATOM 516 O ILE A 41 4.100 9.081 14.648 1.00 0.00 O ATOM 517 CB ILE A 41 5.510 7.868 16.596 1.00 0.00 C ATOM 518 CG1 ILE A 41 6.674 8.444 15.785 1.00 0.00 C ATOM 519 CG2 ILE A 41 4.755 6.844 15.745 1.00 0.00 C ATOM 520 CD1 ILE A 41 7.555 9.304 16.693 1.00 0.00 C ATOM 0 H ILE A 41 2.570 8.630 17.652 1.00 0.00 H new ATOM 0 HA ILE A 41 5.131 9.796 17.471 1.00 0.00 H new ATOM 0 HB ILE A 41 5.896 7.383 17.492 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.262 7.636 15.350 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.293 9.043 14.958 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.432 6.039 15.459 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.926 6.433 16.321 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.369 7.330 14.849 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.383 9.713 16.115 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.963 10.120 17.107 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.947 8.692 17.505 1.00 0.00 H new ATOM 532 N GLY A 42 2.936 10.456 15.908 1.00 0.00 N ATOM 533 CA GLY A 42 2.204 10.985 14.720 1.00 0.00 C ATOM 534 C GLY A 42 1.050 10.042 14.376 1.00 0.00 C ATOM 535 O GLY A 42 1.256 8.894 14.034 1.00 0.00 O ATOM 0 H GLY A 42 2.673 10.870 16.803 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.822 11.984 14.929 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.882 11.074 13.871 1.00 0.00 H new ATOM 539 N GLY A 43 -0.166 10.514 14.465 1.00 0.00 N ATOM 540 CA GLY A 43 -1.330 9.639 14.145 1.00 0.00 C ATOM 541 C GLY A 43 -2.481 10.489 13.601 1.00 0.00 C ATOM 542 O GLY A 43 -2.765 10.482 12.419 1.00 0.00 O ATOM 0 H GLY A 43 -0.402 11.466 14.745 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.041 8.888 13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.651 9.104 15.039 1.00 0.00 H new ATOM 546 N HIS A 44 -3.146 11.219 14.455 1.00 0.00 N ATOM 547 CA HIS A 44 -4.280 12.068 13.990 1.00 0.00 C ATOM 548 C HIS A 44 -5.511 11.192 13.755 1.00 0.00 C ATOM 549 O HIS A 44 -5.641 10.121 14.316 1.00 0.00 O ATOM 550 CB HIS A 44 -3.895 12.769 12.686 1.00 0.00 C ATOM 551 CG HIS A 44 -4.436 14.172 12.691 1.00 0.00 C ATOM 552 ND1 HIS A 44 -5.130 14.701 11.615 1.00 0.00 N ATOM 553 CD2 HIS A 44 -4.395 15.167 13.636 1.00 0.00 C ATOM 554 CE1 HIS A 44 -5.476 15.962 11.934 1.00 0.00 C ATOM 555 NE2 HIS A 44 -5.052 16.296 13.156 1.00 0.00 N ATOM 0 H HIS A 44 -2.953 11.264 15.456 1.00 0.00 H new ATOM 0 HA HIS A 44 -4.507 12.816 14.749 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.811 12.787 12.577 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.292 12.218 11.834 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -3.924 15.086 14.605 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.028 16.623 11.282 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -5.182 17.187 13.635 1.00 0.00 H new ATOM 563 N SER A 45 -6.419 11.638 12.928 1.00 0.00 N ATOM 564 CA SER A 45 -7.643 10.831 12.657 1.00 0.00 C ATOM 565 C SER A 45 -7.736 10.529 11.161 1.00 0.00 C ATOM 566 O SER A 45 -7.899 9.396 10.754 1.00 0.00 O ATOM 567 CB SER A 45 -8.877 11.623 13.087 1.00 0.00 C ATOM 568 OG SER A 45 -9.915 10.719 13.440 1.00 0.00 O ATOM 0 H SER A 45 -6.365 12.526 12.429 1.00 0.00 H new ATOM 0 HA SER A 45 -7.592 9.896 13.216 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.634 12.265 13.934 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.206 12.274 12.277 1.00 0.00 H new ATOM 0 HG SER A 45 -9.554 10.018 14.022 1.00 0.00 H new ATOM 574 N LEU A 46 -7.637 11.537 10.341 1.00 0.00 N ATOM 575 CA LEU A 46 -7.724 11.316 8.871 1.00 0.00 C ATOM 576 C LEU A 46 -6.639 10.329 8.428 1.00 0.00 C ATOM 577 O LEU A 46 -6.866 9.478 7.590 1.00 0.00 O ATOM 578 CB LEU A 46 -7.534 12.652 8.147 1.00 0.00 C ATOM 579 CG LEU A 46 -8.878 13.137 7.598 1.00 0.00 C ATOM 580 CD1 LEU A 46 -9.255 12.308 6.371 1.00 0.00 C ATOM 581 CD2 LEU A 46 -9.960 12.979 8.670 1.00 0.00 C ATOM 0 H LEU A 46 -7.499 12.507 10.626 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.702 10.903 8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.122 13.393 8.832 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.818 12.537 7.333 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.796 14.187 7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.212 12.653 5.979 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.487 12.421 5.605 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.335 11.258 6.652 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.916 13.325 8.276 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.042 11.929 8.952 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.693 13.570 9.546 1.00 0.00 H new ATOM 593 N LYS A 47 -5.462 10.434 8.983 1.00 0.00 N ATOM 594 CA LYS A 47 -4.369 9.500 8.590 1.00 0.00 C ATOM 595 C LYS A 47 -4.743 8.076 9.001 1.00 0.00 C ATOM 596 O LYS A 47 -4.925 7.202 8.171 1.00 0.00 O ATOM 597 CB LYS A 47 -3.072 9.910 9.290 1.00 0.00 C ATOM 598 CG LYS A 47 -1.971 10.100 8.245 1.00 0.00 C ATOM 599 CD LYS A 47 -2.029 11.525 7.692 1.00 0.00 C ATOM 600 CE LYS A 47 -0.608 12.068 7.527 1.00 0.00 C ATOM 601 NZ LYS A 47 -0.666 13.512 7.166 1.00 0.00 N ATOM 0 H LYS A 47 -5.211 11.125 9.690 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.227 9.540 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.223 10.834 9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.777 9.147 10.011 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.995 9.912 8.692 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.095 9.380 7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.546 11.533 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.598 12.165 8.366 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.047 11.936 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.082 11.510 6.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.300 13.881 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.186 13.626 6.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.153 14.039 7.919 1.00 0.00 H new ATOM 615 N ALA A 48 -4.869 7.831 10.275 1.00 0.00 N ATOM 616 CA ALA A 48 -5.241 6.464 10.718 1.00 0.00 C ATOM 617 C ALA A 48 -6.431 5.996 9.883 1.00 0.00 C ATOM 618 O ALA A 48 -6.426 4.905 9.348 1.00 0.00 O ATOM 619 CB ALA A 48 -5.612 6.475 12.198 1.00 0.00 C ATOM 0 H ALA A 48 -4.731 8.513 11.021 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.399 5.786 10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.883 5.467 12.513 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.761 6.821 12.784 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.458 7.144 12.356 1.00 0.00 H new ATOM 625 N MET A 49 -7.442 6.818 9.734 1.00 0.00 N ATOM 626 CA MET A 49 -8.599 6.401 8.891 1.00 0.00 C ATOM 627 C MET A 49 -8.024 5.863 7.589 1.00 0.00 C ATOM 628 O MET A 49 -8.341 4.770 7.162 1.00 0.00 O ATOM 629 CB MET A 49 -9.509 7.603 8.596 1.00 0.00 C ATOM 630 CG MET A 49 -10.904 7.166 8.093 1.00 0.00 C ATOM 631 SD MET A 49 -10.952 5.399 7.640 1.00 0.00 S ATOM 632 CE MET A 49 -11.374 5.599 5.892 1.00 0.00 C ATOM 0 H MET A 49 -7.514 7.745 10.154 1.00 0.00 H new ATOM 0 HA MET A 49 -9.196 5.647 9.404 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.621 8.203 9.499 1.00 0.00 H new ATOM 0 HB3 MET A 49 -9.037 8.239 7.847 1.00 0.00 H new ATOM 0 HG2 MET A 49 -11.645 7.361 8.868 1.00 0.00 H new ATOM 0 HG3 MET A 49 -11.182 7.769 7.228 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.453 4.619 5.422 1.00 0.00 H new ATOM 0 HE2 MET A 49 -12.327 6.120 5.805 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.597 6.179 5.394 1.00 0.00 H new ATOM 642 N ALA A 50 -7.140 6.606 6.969 1.00 0.00 N ATOM 643 CA ALA A 50 -6.512 6.108 5.721 1.00 0.00 C ATOM 644 C ALA A 50 -6.082 4.670 5.986 1.00 0.00 C ATOM 645 O ALA A 50 -6.359 3.773 5.216 1.00 0.00 O ATOM 646 CB ALA A 50 -5.294 6.965 5.377 1.00 0.00 C ATOM 0 H ALA A 50 -6.832 7.529 7.276 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.207 6.158 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.836 6.595 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.606 8.000 5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.570 6.912 6.190 1.00 0.00 H new ATOM 652 N VAL A 51 -5.444 4.439 7.107 1.00 0.00 N ATOM 653 CA VAL A 51 -5.048 3.048 7.445 1.00 0.00 C ATOM 654 C VAL A 51 -6.311 2.193 7.445 1.00 0.00 C ATOM 655 O VAL A 51 -6.404 1.197 6.752 1.00 0.00 O ATOM 656 CB VAL A 51 -4.411 3.011 8.833 1.00 0.00 C ATOM 657 CG1 VAL A 51 -3.775 1.639 9.059 1.00 0.00 C ATOM 658 CG2 VAL A 51 -3.340 4.098 8.929 1.00 0.00 C ATOM 0 H VAL A 51 -5.185 5.149 7.792 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.326 2.673 6.719 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.172 3.188 9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.319 1.608 10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.541 0.867 8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.011 1.463 8.302 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.884 4.073 9.919 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.575 3.923 8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.796 5.074 8.764 1.00 0.00 H new ATOM 668 N ALA A 52 -7.305 2.591 8.198 1.00 0.00 N ATOM 669 CA ALA A 52 -8.569 1.813 8.205 1.00 0.00 C ATOM 670 C ALA A 52 -8.948 1.565 6.749 1.00 0.00 C ATOM 671 O ALA A 52 -9.378 0.492 6.378 1.00 0.00 O ATOM 672 CB ALA A 52 -9.668 2.607 8.914 1.00 0.00 C ATOM 0 H ALA A 52 -7.292 3.414 8.801 1.00 0.00 H new ATOM 0 HA ALA A 52 -8.446 0.870 8.737 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.592 2.029 8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -9.366 2.809 9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.830 3.550 8.392 1.00 0.00 H new ATOM 678 N ALA A 53 -8.737 2.545 5.907 1.00 0.00 N ATOM 679 CA ALA A 53 -9.030 2.351 4.464 1.00 0.00 C ATOM 680 C ALA A 53 -8.125 1.224 3.978 1.00 0.00 C ATOM 681 O ALA A 53 -8.551 0.315 3.296 1.00 0.00 O ATOM 682 CB ALA A 53 -8.721 3.636 3.692 1.00 0.00 C ATOM 0 H ALA A 53 -8.376 3.465 6.159 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.081 2.106 4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.938 3.486 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.336 4.449 4.077 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.668 3.889 3.814 1.00 0.00 H new ATOM 688 N GLN A 54 -6.875 1.257 4.372 1.00 0.00 N ATOM 689 CA GLN A 54 -5.944 0.165 3.984 1.00 0.00 C ATOM 690 C GLN A 54 -6.639 -1.152 4.291 1.00 0.00 C ATOM 691 O GLN A 54 -6.516 -2.117 3.572 1.00 0.00 O ATOM 692 CB GLN A 54 -4.662 0.267 4.806 1.00 0.00 C ATOM 693 CG GLN A 54 -3.660 -0.775 4.309 1.00 0.00 C ATOM 694 CD GLN A 54 -3.087 -0.364 2.945 1.00 0.00 C ATOM 695 OE1 GLN A 54 -2.359 -1.121 2.336 1.00 0.00 O ATOM 696 NE2 GLN A 54 -3.382 0.802 2.432 1.00 0.00 N ATOM 0 H GLN A 54 -6.465 1.994 4.945 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.687 0.233 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -4.238 1.267 4.718 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.879 0.105 5.862 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.851 -0.884 5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.147 -1.747 4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.993 1.442 2.939 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -3.001 1.071 1.525 1.00 0.00 H new ATOM 705 N VAL A 55 -7.387 -1.180 5.358 1.00 0.00 N ATOM 706 CA VAL A 55 -8.120 -2.421 5.729 1.00 0.00 C ATOM 707 C VAL A 55 -9.218 -2.688 4.692 1.00 0.00 C ATOM 708 O VAL A 55 -9.390 -3.795 4.227 1.00 0.00 O ATOM 709 CB VAL A 55 -8.762 -2.235 7.105 1.00 0.00 C ATOM 710 CG1 VAL A 55 -9.223 -3.590 7.639 1.00 0.00 C ATOM 711 CG2 VAL A 55 -7.745 -1.618 8.072 1.00 0.00 C ATOM 0 H VAL A 55 -7.523 -0.392 5.992 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.428 -3.262 5.757 1.00 0.00 H new ATOM 0 HB VAL A 55 -9.620 -1.569 7.016 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.681 -3.458 8.619 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.952 -4.022 6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.366 -4.258 7.725 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.207 -1.487 9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.882 -2.278 8.163 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.422 -0.649 7.691 1.00 0.00 H new ATOM 721 N HIS A 56 -9.963 -1.682 4.328 1.00 0.00 N ATOM 722 CA HIS A 56 -11.046 -1.882 3.322 1.00 0.00 C ATOM 723 C HIS A 56 -10.415 -2.143 1.952 1.00 0.00 C ATOM 724 O HIS A 56 -10.934 -2.898 1.154 1.00 0.00 O ATOM 725 CB HIS A 56 -11.916 -0.621 3.259 1.00 0.00 C ATOM 726 CG HIS A 56 -13.244 -0.951 2.638 1.00 0.00 C ATOM 727 ND1 HIS A 56 -14.352 -0.134 2.788 1.00 0.00 N ATOM 728 CD2 HIS A 56 -13.658 -2.007 1.863 1.00 0.00 C ATOM 729 CE1 HIS A 56 -15.370 -0.704 2.119 1.00 0.00 C ATOM 730 NE2 HIS A 56 -15.001 -1.849 1.536 1.00 0.00 N ATOM 0 H HIS A 56 -9.870 -0.730 4.683 1.00 0.00 H new ATOM 0 HA HIS A 56 -11.665 -2.734 3.605 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -12.063 -0.218 4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -11.413 0.151 2.676 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -13.036 -2.834 1.555 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -16.365 -0.287 2.060 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -15.579 -2.472 0.973 1.00 0.00 H new ATOM 738 N ARG A 57 -9.292 -1.537 1.679 1.00 0.00 N ATOM 739 CA ARG A 57 -8.622 -1.765 0.370 1.00 0.00 C ATOM 740 C ARG A 57 -7.914 -3.119 0.418 1.00 0.00 C ATOM 741 O ARG A 57 -7.948 -3.886 -0.524 1.00 0.00 O ATOM 742 CB ARG A 57 -7.597 -0.657 0.119 1.00 0.00 C ATOM 743 CG ARG A 57 -7.535 -0.346 -1.378 1.00 0.00 C ATOM 744 CD ARG A 57 -6.193 -0.813 -1.942 1.00 0.00 C ATOM 745 NE ARG A 57 -5.565 0.296 -2.712 1.00 0.00 N ATOM 746 CZ ARG A 57 -5.086 1.335 -2.088 1.00 0.00 C ATOM 747 NH1 ARG A 57 -3.962 1.242 -1.431 1.00 0.00 N ATOM 748 NH2 ARG A 57 -5.730 2.470 -2.117 1.00 0.00 N ATOM 0 H ARG A 57 -8.810 -0.894 2.307 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.357 -1.756 -0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.871 0.239 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.616 -0.967 0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.353 -0.845 -1.898 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.658 0.724 -1.543 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.535 -1.125 -1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.339 -1.680 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.510 0.242 -3.729 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.458 0.356 -1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.588 2.056 -0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.609 2.545 -2.628 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.354 3.282 -1.628 1.00 0.00 H new ATOM 762 N GLU A 58 -7.283 -3.420 1.520 1.00 0.00 N ATOM 763 CA GLU A 58 -6.582 -4.726 1.657 1.00 0.00 C ATOM 764 C GLU A 58 -7.623 -5.832 1.790 1.00 0.00 C ATOM 765 O GLU A 58 -7.541 -6.863 1.152 1.00 0.00 O ATOM 766 CB GLU A 58 -5.712 -4.704 2.915 1.00 0.00 C ATOM 767 CG GLU A 58 -4.370 -4.049 2.597 1.00 0.00 C ATOM 768 CD GLU A 58 -3.567 -4.957 1.664 1.00 0.00 C ATOM 769 OE1 GLU A 58 -2.868 -5.821 2.169 1.00 0.00 O ATOM 770 OE2 GLU A 58 -3.667 -4.776 0.462 1.00 0.00 O ATOM 0 H GLU A 58 -7.223 -2.812 2.337 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.956 -4.904 0.782 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.217 -4.155 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.556 -5.719 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.529 -3.078 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.813 -3.871 3.517 1.00 0.00 H new ATOM 777 N TYR A 59 -8.605 -5.618 2.619 1.00 0.00 N ATOM 778 CA TYR A 59 -9.663 -6.644 2.807 1.00 0.00 C ATOM 779 C TYR A 59 -11.030 -6.017 2.545 1.00 0.00 C ATOM 780 O TYR A 59 -11.174 -4.813 2.467 1.00 0.00 O ATOM 781 CB TYR A 59 -9.637 -7.161 4.245 1.00 0.00 C ATOM 782 CG TYR A 59 -8.223 -7.154 4.769 1.00 0.00 C ATOM 783 CD1 TYR A 59 -7.698 -5.994 5.349 1.00 0.00 C ATOM 784 CD2 TYR A 59 -7.441 -8.309 4.684 1.00 0.00 C ATOM 785 CE1 TYR A 59 -6.390 -5.988 5.843 1.00 0.00 C ATOM 786 CE2 TYR A 59 -6.132 -8.305 5.180 1.00 0.00 C ATOM 787 CZ TYR A 59 -5.606 -7.144 5.759 1.00 0.00 C ATOM 788 OH TYR A 59 -4.316 -7.141 6.248 1.00 0.00 O ATOM 0 H TYR A 59 -8.720 -4.772 3.177 1.00 0.00 H new ATOM 0 HA TYR A 59 -9.484 -7.466 2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.271 -6.538 4.876 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.043 -8.172 4.284 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.304 -5.102 5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.846 -9.204 4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.985 -5.092 6.289 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.528 -9.198 5.116 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.912 -8.024 6.111 1.00 0.00 H new ATOM 798 N GLN A 60 -12.040 -6.829 2.449 1.00 0.00 N ATOM 799 CA GLN A 60 -13.410 -6.302 2.239 1.00 0.00 C ATOM 800 C GLN A 60 -14.093 -6.292 3.599 1.00 0.00 C ATOM 801 O GLN A 60 -15.288 -6.477 3.726 1.00 0.00 O ATOM 802 CB GLN A 60 -14.174 -7.203 1.264 1.00 0.00 C ATOM 803 CG GLN A 60 -13.272 -7.543 0.073 1.00 0.00 C ATOM 804 CD GLN A 60 -14.134 -7.885 -1.144 1.00 0.00 C ATOM 805 OE1 GLN A 60 -15.205 -8.442 -1.010 1.00 0.00 O ATOM 806 NE2 GLN A 60 -13.706 -7.573 -2.337 1.00 0.00 N ATOM 0 H GLN A 60 -11.973 -7.845 2.508 1.00 0.00 H new ATOM 0 HA GLN A 60 -13.385 -5.299 1.812 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -14.490 -8.117 1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -15.077 -6.700 0.919 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.621 -6.699 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -12.626 -8.385 0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.807 -7.105 -2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.271 -7.797 -3.156 1.00 0.00 H new ATOM 815 N VAL A 61 -13.310 -6.081 4.618 1.00 0.00 N ATOM 816 CA VAL A 61 -13.845 -6.058 6.004 1.00 0.00 C ATOM 817 C VAL A 61 -14.174 -4.615 6.383 1.00 0.00 C ATOM 818 O VAL A 61 -13.338 -3.735 6.314 1.00 0.00 O ATOM 819 CB VAL A 61 -12.782 -6.626 6.952 1.00 0.00 C ATOM 820 CG1 VAL A 61 -11.473 -5.846 6.798 1.00 0.00 C ATOM 821 CG2 VAL A 61 -13.269 -6.513 8.396 1.00 0.00 C ATOM 0 H VAL A 61 -12.305 -5.921 4.546 1.00 0.00 H new ATOM 0 HA VAL A 61 -14.750 -6.661 6.076 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.609 -7.673 6.704 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.723 -6.256 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -11.119 -5.929 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.644 -4.797 7.039 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -12.512 -6.917 9.068 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -13.448 -5.466 8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -14.195 -7.076 8.513 1.00 0.00 H new ATOM 831 N GLU A 62 -15.398 -4.363 6.756 1.00 0.00 N ATOM 832 CA GLU A 62 -15.804 -2.976 7.111 1.00 0.00 C ATOM 833 C GLU A 62 -15.140 -2.531 8.417 1.00 0.00 C ATOM 834 O GLU A 62 -15.616 -2.810 9.498 1.00 0.00 O ATOM 835 CB GLU A 62 -17.322 -2.926 7.274 1.00 0.00 C ATOM 836 CG GLU A 62 -17.757 -1.488 7.556 1.00 0.00 C ATOM 837 CD GLU A 62 -18.887 -1.492 8.587 1.00 0.00 C ATOM 838 OE1 GLU A 62 -19.891 -2.137 8.333 1.00 0.00 O ATOM 839 OE2 GLU A 62 -18.730 -0.851 9.612 1.00 0.00 O ATOM 0 H GLU A 62 -16.137 -5.062 6.830 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.487 -2.303 6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.808 -3.294 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.632 -3.578 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.913 -0.907 7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.092 -1.010 6.635 1.00 0.00 H new ATOM 846 N LEU A 63 -14.060 -1.805 8.316 1.00 0.00 N ATOM 847 CA LEU A 63 -13.376 -1.296 9.539 1.00 0.00 C ATOM 848 C LEU A 63 -13.736 0.189 9.681 1.00 0.00 C ATOM 849 O LEU A 63 -13.272 1.008 8.911 1.00 0.00 O ATOM 850 CB LEU A 63 -11.856 -1.452 9.390 1.00 0.00 C ATOM 851 CG LEU A 63 -11.182 -1.295 10.758 1.00 0.00 C ATOM 852 CD1 LEU A 63 -10.584 -2.633 11.204 1.00 0.00 C ATOM 853 CD2 LEU A 63 -10.065 -0.255 10.658 1.00 0.00 C ATOM 0 H LEU A 63 -13.620 -1.541 7.434 1.00 0.00 H new ATOM 0 HA LEU A 63 -13.693 -1.856 10.419 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.621 -2.429 8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.471 -0.705 8.696 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.926 -0.972 11.486 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.107 -2.512 12.177 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.376 -3.379 11.278 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.843 -2.961 10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.585 -0.142 11.630 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.328 -0.582 9.925 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.485 0.702 10.348 1.00 0.00 H new ATOM 865 N PRO A 64 -14.584 0.490 10.632 1.00 0.00 N ATOM 866 CA PRO A 64 -15.060 1.867 10.861 1.00 0.00 C ATOM 867 C PRO A 64 -14.031 2.688 11.638 1.00 0.00 C ATOM 868 O PRO A 64 -13.096 2.159 12.207 1.00 0.00 O ATOM 869 CB PRO A 64 -16.334 1.669 11.686 1.00 0.00 C ATOM 870 CG PRO A 64 -16.212 0.279 12.357 1.00 0.00 C ATOM 871 CD PRO A 64 -15.142 -0.503 11.571 1.00 0.00 C ATOM 0 HA PRO A 64 -15.230 2.414 9.934 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -16.437 2.454 12.435 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -17.219 1.717 11.051 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -15.926 0.379 13.404 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.167 -0.245 12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -14.373 -0.901 12.233 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -15.577 -1.351 11.042 1.00 0.00 H new ATOM 879 N LEU A 65 -14.207 3.981 11.672 1.00 0.00 N ATOM 880 CA LEU A 65 -13.255 4.843 12.420 1.00 0.00 C ATOM 881 C LEU A 65 -13.437 4.563 13.911 1.00 0.00 C ATOM 882 O LEU A 65 -12.484 4.460 14.656 1.00 0.00 O ATOM 883 CB LEU A 65 -13.551 6.319 12.128 1.00 0.00 C ATOM 884 CG LEU A 65 -12.818 6.762 10.855 1.00 0.00 C ATOM 885 CD1 LEU A 65 -11.327 6.938 11.150 1.00 0.00 C ATOM 886 CD2 LEU A 65 -12.990 5.707 9.760 1.00 0.00 C ATOM 0 H LEU A 65 -14.971 4.476 11.212 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.230 4.629 12.117 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.624 6.466 12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.237 6.935 12.971 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.240 7.709 10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.811 7.253 10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.196 7.695 11.923 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.910 5.992 11.495 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.467 6.029 8.859 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.576 4.758 10.101 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.050 5.582 9.539 1.00 0.00 H new ATOM 898 N LYS A 66 -14.661 4.413 14.346 1.00 0.00 N ATOM 899 CA LYS A 66 -14.903 4.110 15.781 1.00 0.00 C ATOM 900 C LYS A 66 -14.026 2.920 16.164 1.00 0.00 C ATOM 901 O LYS A 66 -13.273 2.967 17.116 1.00 0.00 O ATOM 902 CB LYS A 66 -16.375 3.753 15.995 1.00 0.00 C ATOM 903 CG LYS A 66 -16.695 3.788 17.492 1.00 0.00 C ATOM 904 CD LYS A 66 -17.383 5.110 17.834 1.00 0.00 C ATOM 905 CE LYS A 66 -18.781 5.128 17.216 1.00 0.00 C ATOM 906 NZ LYS A 66 -19.612 4.057 17.834 1.00 0.00 N ATOM 0 H LYS A 66 -15.499 4.488 13.769 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.662 4.977 16.397 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.013 4.456 15.459 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.583 2.762 15.591 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.340 2.950 17.757 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.779 3.681 18.073 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.450 5.229 18.915 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.795 5.947 17.457 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.247 6.101 17.373 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.716 4.976 16.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.618 4.311 17.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.443 3.158 17.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.356 3.954 18.837 1.00 0.00 H new ATOM 920 N VAL A 67 -14.103 1.861 15.404 1.00 0.00 N ATOM 921 CA VAL A 67 -13.255 0.674 15.693 1.00 0.00 C ATOM 922 C VAL A 67 -11.800 1.139 15.713 1.00 0.00 C ATOM 923 O VAL A 67 -11.024 0.752 16.563 1.00 0.00 O ATOM 924 CB VAL A 67 -13.475 -0.382 14.601 1.00 0.00 C ATOM 925 CG1 VAL A 67 -12.255 -1.301 14.490 1.00 0.00 C ATOM 926 CG2 VAL A 67 -14.702 -1.224 14.959 1.00 0.00 C ATOM 0 H VAL A 67 -14.718 1.769 14.595 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.512 0.228 16.654 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.626 0.123 13.647 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.428 -2.043 13.711 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.375 -0.709 14.238 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.092 -1.806 15.442 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.865 -1.977 14.187 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.538 -1.716 15.918 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -15.578 -0.579 15.027 1.00 0.00 H new ATOM 936 N LEU A 68 -11.434 1.994 14.797 1.00 0.00 N ATOM 937 CA LEU A 68 -10.041 2.510 14.788 1.00 0.00 C ATOM 938 C LEU A 68 -9.824 3.271 16.097 1.00 0.00 C ATOM 939 O LEU A 68 -8.717 3.402 16.581 1.00 0.00 O ATOM 940 CB LEU A 68 -9.842 3.443 13.586 1.00 0.00 C ATOM 941 CG LEU A 68 -8.359 3.480 13.206 1.00 0.00 C ATOM 942 CD1 LEU A 68 -8.079 2.477 12.092 1.00 0.00 C ATOM 943 CD2 LEU A 68 -7.984 4.873 12.705 1.00 0.00 C ATOM 0 H LEU A 68 -12.038 2.355 14.059 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.324 1.694 14.703 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.436 3.096 12.741 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.191 4.447 13.830 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.771 3.229 14.089 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.022 2.511 11.829 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.336 1.474 12.432 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.679 2.728 11.217 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.928 4.891 12.437 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.585 5.119 11.829 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.171 5.605 13.491 1.00 0.00 H new ATOM 955 N PHE A 69 -10.894 3.747 16.688 1.00 0.00 N ATOM 956 CA PHE A 69 -10.782 4.475 17.984 1.00 0.00 C ATOM 957 C PHE A 69 -10.847 3.449 19.116 1.00 0.00 C ATOM 958 O PHE A 69 -10.175 3.569 20.120 1.00 0.00 O ATOM 959 CB PHE A 69 -11.940 5.462 18.137 1.00 0.00 C ATOM 960 CG PHE A 69 -11.686 6.698 17.303 1.00 0.00 C ATOM 961 CD1 PHE A 69 -11.151 6.587 16.012 1.00 0.00 C ATOM 962 CD2 PHE A 69 -11.993 7.961 17.824 1.00 0.00 C ATOM 963 CE1 PHE A 69 -10.922 7.738 15.247 1.00 0.00 C ATOM 964 CE2 PHE A 69 -11.764 9.111 17.058 1.00 0.00 C ATOM 965 CZ PHE A 69 -11.229 8.999 15.770 1.00 0.00 C ATOM 0 H PHE A 69 -11.843 3.660 16.324 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.843 5.027 18.015 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -12.873 4.991 17.827 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -12.056 5.739 19.185 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.915 5.614 15.607 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -12.407 8.048 18.818 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.508 7.652 14.253 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.000 10.084 17.462 1.00 0.00 H new ATOM 0 HZ PHE A 69 -11.053 9.886 15.179 1.00 0.00 H new ATOM 975 N ALA A 70 -11.652 2.431 18.949 1.00 0.00 N ATOM 976 CA ALA A 70 -11.760 1.375 19.997 1.00 0.00 C ATOM 977 C ALA A 70 -10.421 0.663 20.093 1.00 0.00 C ATOM 978 O ALA A 70 -10.014 0.195 21.138 1.00 0.00 O ATOM 979 CB ALA A 70 -12.820 0.348 19.585 1.00 0.00 C ATOM 0 H ALA A 70 -12.241 2.286 18.129 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.035 1.827 20.950 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.897 -0.423 20.352 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.783 0.845 19.472 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.534 -0.110 18.638 1.00 0.00 H new ATOM 985 N GLN A 71 -9.750 0.567 18.987 1.00 0.00 N ATOM 986 CA GLN A 71 -8.440 -0.129 18.950 1.00 0.00 C ATOM 987 C GLN A 71 -7.539 0.629 17.984 1.00 0.00 C ATOM 988 O GLN A 71 -7.257 0.160 16.899 1.00 0.00 O ATOM 989 CB GLN A 71 -8.629 -1.576 18.455 1.00 0.00 C ATOM 990 CG GLN A 71 -10.115 -1.824 18.141 1.00 0.00 C ATOM 991 CD GLN A 71 -10.428 -3.316 18.154 1.00 0.00 C ATOM 992 OE1 GLN A 71 -9.550 -4.143 18.004 1.00 0.00 O ATOM 993 NE2 GLN A 71 -11.666 -3.692 18.329 1.00 0.00 N ATOM 0 H GLN A 71 -10.058 0.947 18.092 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.997 -0.159 19.946 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.025 -1.748 17.564 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.285 -2.279 19.214 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.737 -1.311 18.874 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.360 -1.405 17.165 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -12.398 -2.993 18.454 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.901 -4.685 18.340 1.00 0.00 H new ATOM 1002 N PRO A 72 -7.117 1.790 18.409 1.00 0.00 N ATOM 1003 CA PRO A 72 -6.254 2.648 17.603 1.00 0.00 C ATOM 1004 C PRO A 72 -4.847 2.105 17.677 1.00 0.00 C ATOM 1005 O PRO A 72 -3.961 2.731 18.225 1.00 0.00 O ATOM 1006 CB PRO A 72 -6.338 4.015 18.284 1.00 0.00 C ATOM 1007 CG PRO A 72 -6.804 3.744 19.736 1.00 0.00 C ATOM 1008 CD PRO A 72 -7.443 2.339 19.737 1.00 0.00 C ATOM 0 HA PRO A 72 -6.541 2.702 16.553 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.370 4.516 18.273 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.041 4.667 17.764 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.963 3.788 20.428 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.523 4.497 20.060 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -7.037 1.718 20.535 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.521 2.392 19.892 1.00 0.00 H new ATOM 1016 N THR A 73 -4.623 0.933 17.167 1.00 0.00 N ATOM 1017 CA THR A 73 -3.261 0.382 17.274 1.00 0.00 C ATOM 1018 C THR A 73 -2.946 -0.600 16.130 1.00 0.00 C ATOM 1019 O THR A 73 -3.830 -1.059 15.435 1.00 0.00 O ATOM 1020 CB THR A 73 -3.170 -0.305 18.624 1.00 0.00 C ATOM 1021 OG1 THR A 73 -3.479 0.630 19.650 1.00 0.00 O ATOM 1022 CG2 THR A 73 -1.773 -0.820 18.823 1.00 0.00 C ATOM 0 H THR A 73 -5.309 0.347 16.692 1.00 0.00 H new ATOM 0 HA THR A 73 -2.524 1.181 17.191 1.00 0.00 H new ATOM 0 HB THR A 73 -3.876 -1.135 18.663 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.943 1.441 19.526 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.702 -1.315 19.792 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.532 -1.532 18.034 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.070 0.012 18.788 1.00 0.00 H new ATOM 1030 N ILE A 74 -1.682 -0.930 15.934 1.00 0.00 N ATOM 1031 CA ILE A 74 -1.316 -1.887 14.837 1.00 0.00 C ATOM 1032 C ILE A 74 -1.763 -3.293 15.225 1.00 0.00 C ATOM 1033 O ILE A 74 -2.716 -3.820 14.690 1.00 0.00 O ATOM 1034 CB ILE A 74 0.200 -1.905 14.592 1.00 0.00 C ATOM 1035 CG1 ILE A 74 0.767 -0.491 14.659 1.00 0.00 C ATOM 1036 CG2 ILE A 74 0.480 -2.476 13.199 1.00 0.00 C ATOM 1037 CD1 ILE A 74 2.274 -0.540 14.414 1.00 0.00 C ATOM 0 H ILE A 74 -0.897 -0.579 16.483 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.814 -1.560 13.924 1.00 0.00 H new ATOM 0 HB ILE A 74 0.670 -2.520 15.359 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.286 0.142 13.913 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.559 -0.049 15.634 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.555 -2.490 13.021 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.088 -3.491 13.136 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.004 -1.853 12.447 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.683 0.469 14.461 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.747 -1.159 15.176 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.469 -0.965 13.429 1.00 0.00 H new ATOM 1049 N LYS A 75 -1.084 -3.910 16.156 1.00 0.00 N ATOM 1050 CA LYS A 75 -1.482 -5.282 16.571 1.00 0.00 C ATOM 1051 C LYS A 75 -3.000 -5.317 16.749 1.00 0.00 C ATOM 1052 O LYS A 75 -3.662 -6.229 16.302 1.00 0.00 O ATOM 1053 CB LYS A 75 -0.790 -5.635 17.889 1.00 0.00 C ATOM 1054 CG LYS A 75 -1.487 -6.831 18.542 1.00 0.00 C ATOM 1055 CD LYS A 75 -0.843 -7.115 19.900 1.00 0.00 C ATOM 1056 CE LYS A 75 -0.113 -8.459 19.848 1.00 0.00 C ATOM 1057 NZ LYS A 75 -1.003 -9.530 20.376 1.00 0.00 N ATOM 0 H LYS A 75 -0.276 -3.524 16.643 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.186 -6.007 15.813 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.259 -5.870 17.707 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.813 -4.778 18.562 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.550 -6.623 18.667 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.408 -7.708 17.899 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.144 -6.319 20.156 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.605 -7.133 20.679 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.179 -8.687 18.823 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.803 -8.410 20.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.506 -10.443 20.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.260 -9.314 21.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.865 -9.582 19.797 1.00 0.00 H new ATOM 1071 N ALA A 76 -3.555 -4.324 17.391 1.00 0.00 N ATOM 1072 CA ALA A 76 -5.032 -4.300 17.584 1.00 0.00 C ATOM 1073 C ALA A 76 -5.713 -4.253 16.211 1.00 0.00 C ATOM 1074 O ALA A 76 -6.530 -5.091 15.886 1.00 0.00 O ATOM 1075 CB ALA A 76 -5.420 -3.066 18.405 1.00 0.00 C ATOM 0 H ALA A 76 -3.051 -3.531 17.789 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.353 -5.195 18.118 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.501 -3.048 18.546 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.928 -3.106 19.377 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.108 -2.165 17.877 1.00 0.00 H new ATOM 1081 N LEU A 77 -5.370 -3.290 15.394 1.00 0.00 N ATOM 1082 CA LEU A 77 -5.989 -3.209 14.037 1.00 0.00 C ATOM 1083 C LEU A 77 -5.685 -4.502 13.280 1.00 0.00 C ATOM 1084 O LEU A 77 -6.574 -5.255 12.933 1.00 0.00 O ATOM 1085 CB LEU A 77 -5.387 -2.022 13.261 1.00 0.00 C ATOM 1086 CG LEU A 77 -6.159 -0.704 13.495 1.00 0.00 C ATOM 1087 CD1 LEU A 77 -6.724 -0.216 12.165 1.00 0.00 C ATOM 1088 CD2 LEU A 77 -7.318 -0.884 14.481 1.00 0.00 C ATOM 0 H LEU A 77 -4.691 -2.559 15.607 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.066 -3.070 14.134 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.347 -1.887 13.560 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.385 -2.253 12.196 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.462 0.019 13.917 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.271 0.714 12.321 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.907 -0.044 11.464 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -7.399 -0.969 11.758 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.832 0.068 14.615 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.017 -1.623 14.089 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.930 -1.225 15.441 1.00 0.00 H new ATOM 1100 N ALA A 78 -4.432 -4.767 13.025 1.00 0.00 N ATOM 1101 CA ALA A 78 -4.074 -6.013 12.297 1.00 0.00 C ATOM 1102 C ALA A 78 -4.872 -7.169 12.889 1.00 0.00 C ATOM 1103 O ALA A 78 -5.346 -8.032 12.186 1.00 0.00 O ATOM 1104 CB ALA A 78 -2.577 -6.286 12.458 1.00 0.00 C ATOM 0 H ALA A 78 -3.645 -4.175 13.289 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.305 -5.907 11.237 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.314 -7.199 11.924 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.009 -5.451 12.049 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.340 -6.403 13.516 1.00 0.00 H new ATOM 1110 N GLN A 79 -5.037 -7.181 14.181 1.00 0.00 N ATOM 1111 CA GLN A 79 -5.818 -8.273 14.818 1.00 0.00 C ATOM 1112 C GLN A 79 -7.289 -8.119 14.421 1.00 0.00 C ATOM 1113 O GLN A 79 -7.946 -9.077 14.063 1.00 0.00 O ATOM 1114 CB GLN A 79 -5.647 -8.177 16.341 1.00 0.00 C ATOM 1115 CG GLN A 79 -6.888 -8.707 17.069 1.00 0.00 C ATOM 1116 CD GLN A 79 -7.127 -10.168 16.682 1.00 0.00 C ATOM 1117 OE1 GLN A 79 -6.741 -10.599 15.613 1.00 0.00 O ATOM 1118 NE2 GLN A 79 -7.752 -10.955 17.515 1.00 0.00 N ATOM 0 H GLN A 79 -4.664 -6.481 14.823 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.466 -9.250 14.487 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -4.770 -8.747 16.648 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.469 -7.140 16.626 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.752 -8.624 18.147 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -7.759 -8.105 16.810 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.076 -10.594 18.412 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.916 -11.931 17.269 1.00 0.00 H new ATOM 1127 N TYR A 80 -7.809 -6.922 14.465 1.00 0.00 N ATOM 1128 CA TYR A 80 -9.230 -6.724 14.070 1.00 0.00 C ATOM 1129 C TYR A 80 -9.438 -7.347 12.691 1.00 0.00 C ATOM 1130 O TYR A 80 -10.472 -7.912 12.395 1.00 0.00 O ATOM 1131 CB TYR A 80 -9.547 -5.228 14.005 1.00 0.00 C ATOM 1132 CG TYR A 80 -11.039 -5.040 13.893 1.00 0.00 C ATOM 1133 CD1 TYR A 80 -11.670 -5.194 12.654 1.00 0.00 C ATOM 1134 CD2 TYR A 80 -11.792 -4.717 15.029 1.00 0.00 C ATOM 1135 CE1 TYR A 80 -13.055 -5.026 12.549 1.00 0.00 C ATOM 1136 CE2 TYR A 80 -13.177 -4.549 14.923 1.00 0.00 C ATOM 1137 CZ TYR A 80 -13.809 -4.704 13.683 1.00 0.00 C ATOM 1138 OH TYR A 80 -15.175 -4.538 13.580 1.00 0.00 O ATOM 0 H TYR A 80 -7.314 -6.079 14.756 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.888 -7.194 14.801 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.171 -4.726 14.896 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -9.046 -4.775 13.149 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -11.088 -5.443 11.779 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -11.304 -4.598 15.985 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -13.542 -5.145 11.593 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -13.759 -4.300 15.798 1.00 0.00 H new ATOM 0 HH TYR A 80 -15.545 -4.318 14.460 1.00 0.00 H new ATOM 1148 N VAL A 81 -8.445 -7.258 11.852 1.00 0.00 N ATOM 1149 CA VAL A 81 -8.555 -7.858 10.486 1.00 0.00 C ATOM 1150 C VAL A 81 -8.098 -9.307 10.559 1.00 0.00 C ATOM 1151 O VAL A 81 -8.870 -10.239 10.450 1.00 0.00 O ATOM 1152 CB VAL A 81 -7.631 -7.127 9.483 1.00 0.00 C ATOM 1153 CG1 VAL A 81 -8.474 -6.525 8.364 1.00 0.00 C ATOM 1154 CG2 VAL A 81 -6.837 -6.019 10.185 1.00 0.00 C ATOM 0 H VAL A 81 -7.558 -6.795 12.050 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.589 -7.774 10.153 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.926 -7.847 9.068 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.825 -6.010 7.656 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.015 -7.319 7.849 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.186 -5.816 8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.194 -5.518 9.461 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.527 -5.296 10.619 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.224 -6.455 10.974 1.00 0.00 H new ATOM 1164 N ALA A 82 -6.826 -9.481 10.749 1.00 0.00 N ATOM 1165 CA ALA A 82 -6.236 -10.835 10.844 1.00 0.00 C ATOM 1166 C ALA A 82 -7.158 -11.754 11.648 1.00 0.00 C ATOM 1167 O ALA A 82 -7.171 -12.954 11.456 1.00 0.00 O ATOM 1168 CB ALA A 82 -4.887 -10.705 11.544 1.00 0.00 C ATOM 0 H ALA A 82 -6.154 -8.720 10.845 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.110 -11.266 9.851 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.425 -11.689 11.630 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.238 -10.049 10.964 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.032 -10.285 12.539 1.00 0.00 H new ATOM 1174 N THR A 83 -7.929 -11.206 12.546 1.00 0.00 N ATOM 1175 CA THR A 83 -8.845 -12.056 13.358 1.00 0.00 C ATOM 1176 C THR A 83 -9.905 -12.679 12.446 1.00 0.00 C ATOM 1177 O THR A 83 -10.373 -11.988 11.556 1.00 0.00 O ATOM 1178 CB THR A 83 -9.532 -11.198 14.425 1.00 0.00 C ATOM 1179 OG1 THR A 83 -10.391 -12.019 15.204 1.00 0.00 O ATOM 1180 CG2 THR A 83 -10.348 -10.095 13.751 1.00 0.00 C ATOM 0 H THR A 83 -7.965 -10.208 12.753 1.00 0.00 H new ATOM 0 HA THR A 83 -8.271 -12.846 13.843 1.00 0.00 H new ATOM 0 HB THR A 83 -8.779 -10.743 15.068 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.831 -11.474 15.889 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.836 -9.486 14.512 1.00 0.00 H new ATOM 0 HG22 THR A 83 -9.687 -9.467 13.153 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.104 -10.544 13.106 1.00 0.00 H new TER 1188 THR A 83