USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 663 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 4 LYS NZ :NH3+ -148:sc= 1.06 (180deg=0.287) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 77:sc= 1.02 USER MOD Single : A 8 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.5) USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0.691 (180deg=0.508) USER MOD Single : A 14 MET CE :methyl -158:sc= -0.178 (180deg=-0.683) USER MOD Single : A 21 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.3!) USER MOD Single : A 27 HIS : +bothHN:sc= 1.03 K(o=1,f=-4.5!) USER MOD Single : A 28 LYS NZ :NH3+ 140:sc= 1.9 (180deg=-0.14) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN :FLIP amide:sc=-4.58e-05 F(o=-1.9!,f=-4.6e-05) USER MOD Single : A 38 ASN : amide:sc= 1.11 K(o=1.1,f=-0.18) USER MOD Single : A 42 SER OG : rot 84:sc= 0.00759 USER MOD Single : A 47 LYS NZ :NH3+ -115:sc= 0.629 (180deg=-0.181) USER MOD Single : A 48 LYS NZ :NH3+ -108:sc= -0.702 (180deg=-2.73!) USER MOD Single : A 57 GLN : amide:sc= -0.65 K(o=-0.65,f=-1.4) USER MOD Single : A 59 TYR OH : rot 74:sc= 0.0245 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 1.15 K(o=1.2,f=-0.12) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.207 K(o=-0.21,f=-8.4!) USER MOD Single : A 75 THR OG1 : rot -170:sc= 0.05 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -11.259 6.121 -1.241 1.00 0.00 N ATOM 2 CA GLY A 2 -10.735 7.128 -0.319 1.00 0.00 C ATOM 3 C GLY A 2 -9.245 7.033 -0.253 1.00 0.00 C ATOM 4 O GLY A 2 -8.666 7.030 0.811 1.00 0.00 O ATOM 0 HA2 GLY A 2 -11.030 8.124 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.161 6.982 0.673 1.00 0.00 H new ATOM 10 N ILE A 3 -8.619 6.944 -1.404 1.00 0.00 N ATOM 11 CA ILE A 3 -7.192 6.769 -1.458 1.00 0.00 C ATOM 12 C ILE A 3 -6.559 7.656 -2.572 1.00 0.00 C ATOM 13 O ILE A 3 -5.360 7.847 -2.606 1.00 0.00 O ATOM 14 CB ILE A 3 -6.860 5.246 -1.670 1.00 0.00 C ATOM 15 CG1 ILE A 3 -5.371 4.920 -1.448 1.00 0.00 C ATOM 16 CG2 ILE A 3 -7.329 4.751 -3.036 1.00 0.00 C ATOM 17 CD1 ILE A 3 -4.887 5.190 -0.035 1.00 0.00 C ATOM 0 H ILE A 3 -9.078 6.990 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.756 7.092 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.418 4.708 -0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.199 3.870 -1.686 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.773 5.507 -2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.082 3.695 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.408 4.882 -3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.833 5.323 -3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.830 4.936 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.025 6.245 0.201 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.458 4.583 0.667 1.00 0.00 H new ATOM 29 N LYS A 4 -7.382 8.248 -3.432 1.00 0.00 N ATOM 30 CA LYS A 4 -6.869 9.025 -4.551 1.00 0.00 C ATOM 31 C LYS A 4 -6.760 10.480 -4.211 1.00 0.00 C ATOM 32 O LYS A 4 -5.920 11.185 -4.755 1.00 0.00 O ATOM 33 CB LYS A 4 -7.733 8.851 -5.786 1.00 0.00 C ATOM 34 CG LYS A 4 -7.657 7.469 -6.393 1.00 0.00 C ATOM 35 CD LYS A 4 -8.585 7.325 -7.581 1.00 0.00 C ATOM 36 CE LYS A 4 -10.046 7.310 -7.161 1.00 0.00 C ATOM 37 NZ LYS A 4 -10.321 6.227 -6.184 1.00 0.00 N ATOM 0 H LYS A 4 -8.399 8.204 -3.375 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.870 8.645 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.769 9.067 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.432 9.584 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.633 7.265 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.915 6.726 -5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.416 8.148 -8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.351 6.404 -8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.309 8.272 -6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.677 7.177 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.292 5.880 -6.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.651 5.446 -6.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.213 6.596 -5.218 1.00 0.00 H new ATOM 51 N GLN A 5 -7.598 10.928 -3.302 1.00 0.00 N ATOM 52 CA GLN A 5 -7.601 12.325 -2.879 1.00 0.00 C ATOM 53 C GLN A 5 -6.323 12.710 -2.113 1.00 0.00 C ATOM 54 O GLN A 5 -6.077 13.887 -1.849 1.00 0.00 O ATOM 55 CB GLN A 5 -8.845 12.637 -2.045 1.00 0.00 C ATOM 56 CG GLN A 5 -8.968 11.825 -0.766 1.00 0.00 C ATOM 57 CD GLN A 5 -10.238 12.147 -0.020 1.00 0.00 C ATOM 58 OE1 GLN A 5 -10.272 13.040 0.817 1.00 0.00 O ATOM 59 NE2 GLN A 5 -11.289 11.440 -0.333 1.00 0.00 N ATOM 0 H GLN A 5 -8.293 10.346 -2.835 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.624 12.930 -3.785 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.838 13.696 -1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.730 12.463 -2.657 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.947 10.762 -1.007 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.109 12.024 -0.125 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.218 10.705 -1.036 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.182 11.623 0.126 1.00 0.00 H new ATOM 68 N TYR A 6 -5.509 11.730 -1.788 1.00 0.00 N ATOM 69 CA TYR A 6 -4.307 11.979 -1.047 1.00 0.00 C ATOM 70 C TYR A 6 -3.151 12.379 -1.957 1.00 0.00 C ATOM 71 O TYR A 6 -3.080 11.986 -3.133 1.00 0.00 O ATOM 72 CB TYR A 6 -3.920 10.790 -0.178 1.00 0.00 C ATOM 73 CG TYR A 6 -4.950 10.417 0.861 1.00 0.00 C ATOM 74 CD1 TYR A 6 -5.438 11.357 1.760 1.00 0.00 C ATOM 75 CD2 TYR A 6 -5.438 9.128 0.937 1.00 0.00 C ATOM 76 CE1 TYR A 6 -6.381 11.013 2.703 1.00 0.00 C ATOM 77 CE2 TYR A 6 -6.377 8.777 1.877 1.00 0.00 C ATOM 78 CZ TYR A 6 -6.845 9.720 2.757 1.00 0.00 C ATOM 79 OH TYR A 6 -7.785 9.367 3.692 1.00 0.00 O ATOM 0 H TYR A 6 -5.665 10.751 -2.030 1.00 0.00 H new ATOM 0 HA TYR A 6 -4.519 12.820 -0.387 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.741 9.928 -0.821 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.979 11.013 0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.073 12.372 1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.075 8.382 0.245 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.753 11.754 3.395 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.745 7.763 1.923 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.005 8.417 3.593 1.00 0.00 H new ATOM 89 N SER A 7 -2.299 13.179 -1.410 1.00 0.00 N ATOM 90 CA SER A 7 -1.124 13.710 -2.052 1.00 0.00 C ATOM 91 C SER A 7 0.032 12.711 -1.937 1.00 0.00 C ATOM 92 O SER A 7 -0.087 11.693 -1.268 1.00 0.00 O ATOM 93 CB SER A 7 -0.785 15.022 -1.358 1.00 0.00 C ATOM 94 OG SER A 7 -1.980 15.776 -1.126 1.00 0.00 O ATOM 0 H SER A 7 -2.402 13.504 -0.449 1.00 0.00 H new ATOM 0 HA SER A 7 -1.299 13.883 -3.114 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.281 14.823 -0.412 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.094 15.600 -1.972 1.00 0.00 H new ATOM 0 HG SER A 7 -2.459 15.402 -0.357 1.00 0.00 H new ATOM 100 N GLN A 8 1.143 13.032 -2.550 1.00 0.00 N ATOM 101 CA GLN A 8 2.273 12.134 -2.658 1.00 0.00 C ATOM 102 C GLN A 8 2.853 11.716 -1.298 1.00 0.00 C ATOM 103 O GLN A 8 2.961 10.523 -0.999 1.00 0.00 O ATOM 104 CB GLN A 8 3.345 12.812 -3.464 1.00 0.00 C ATOM 105 CG GLN A 8 4.533 11.951 -3.698 1.00 0.00 C ATOM 106 CD GLN A 8 5.638 12.685 -4.407 1.00 0.00 C ATOM 107 OE1 GLN A 8 5.384 13.579 -5.210 1.00 0.00 O ATOM 108 NE2 GLN A 8 6.851 12.348 -4.097 1.00 0.00 N ATOM 0 H GLN A 8 1.294 13.937 -2.996 1.00 0.00 H new ATOM 0 HA GLN A 8 1.920 11.223 -3.141 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.930 13.117 -4.425 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.658 13.720 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.902 11.577 -2.743 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.239 11.083 -4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.016 11.599 -3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.640 12.832 -4.526 1.00 0.00 H new ATOM 117 N GLU A 9 3.168 12.691 -0.475 1.00 0.00 N ATOM 118 CA GLU A 9 3.778 12.443 0.835 1.00 0.00 C ATOM 119 C GLU A 9 2.736 11.888 1.771 1.00 0.00 C ATOM 120 O GLU A 9 3.014 11.097 2.648 1.00 0.00 O ATOM 121 CB GLU A 9 4.305 13.752 1.377 1.00 0.00 C ATOM 122 CG GLU A 9 5.285 14.425 0.444 1.00 0.00 C ATOM 123 CD GLU A 9 5.597 15.822 0.861 1.00 0.00 C ATOM 124 OE1 GLU A 9 4.818 16.733 0.519 1.00 0.00 O ATOM 125 OE2 GLU A 9 6.635 16.050 1.513 1.00 0.00 O ATOM 0 H GLU A 9 3.014 13.678 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 9 4.594 11.726 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.468 14.425 1.563 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.790 13.573 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.207 13.844 0.409 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.875 14.433 -0.566 1.00 0.00 H new ATOM 132 N GLU A 10 1.537 12.288 1.501 1.00 0.00 N ATOM 133 CA GLU A 10 0.363 11.939 2.246 1.00 0.00 C ATOM 134 C GLU A 10 0.076 10.428 2.063 1.00 0.00 C ATOM 135 O GLU A 10 -0.225 9.716 3.014 1.00 0.00 O ATOM 136 CB GLU A 10 -0.729 12.840 1.684 1.00 0.00 C ATOM 137 CG GLU A 10 -2.064 12.875 2.389 1.00 0.00 C ATOM 138 CD GLU A 10 -2.840 14.110 1.954 1.00 0.00 C ATOM 139 OE1 GLU A 10 -3.222 14.199 0.785 1.00 0.00 O ATOM 140 OE2 GLU A 10 -2.973 15.051 2.734 1.00 0.00 O ATOM 0 H GLU A 10 1.335 12.901 0.712 1.00 0.00 H new ATOM 0 HA GLU A 10 0.452 12.089 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.340 13.858 1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.907 12.542 0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.633 11.975 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.916 12.888 3.469 1.00 0.00 H new ATOM 147 N LEU A 11 0.216 9.960 0.832 1.00 0.00 N ATOM 148 CA LEU A 11 0.093 8.543 0.496 1.00 0.00 C ATOM 149 C LEU A 11 1.276 7.742 1.024 1.00 0.00 C ATOM 150 O LEU A 11 1.126 6.591 1.412 1.00 0.00 O ATOM 151 CB LEU A 11 0.001 8.372 -1.008 1.00 0.00 C ATOM 152 CG LEU A 11 -1.300 8.795 -1.663 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.119 8.868 -3.162 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.389 7.795 -1.325 1.00 0.00 C ATOM 0 H LEU A 11 0.420 10.555 0.029 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.815 8.167 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.812 8.939 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.174 7.322 -1.242 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.587 9.778 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.057 9.172 -3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.343 9.596 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.827 7.889 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.323 8.101 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.104 6.809 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.524 7.756 -0.244 1.00 0.00 H new ATOM 166 N LYS A 12 2.446 8.362 1.020 1.00 0.00 N ATOM 167 CA LYS A 12 3.679 7.746 1.526 1.00 0.00 C ATOM 168 C LYS A 12 3.527 7.278 2.969 1.00 0.00 C ATOM 169 O LYS A 12 3.957 6.181 3.323 1.00 0.00 O ATOM 170 CB LYS A 12 4.831 8.743 1.435 1.00 0.00 C ATOM 171 CG LYS A 12 5.740 8.618 0.219 1.00 0.00 C ATOM 172 CD LYS A 12 6.747 7.482 0.396 1.00 0.00 C ATOM 173 CE LYS A 12 7.823 7.512 -0.692 1.00 0.00 C ATOM 174 NZ LYS A 12 8.983 6.656 -0.355 1.00 0.00 N ATOM 0 H LYS A 12 2.575 9.310 0.666 1.00 0.00 H new ATOM 0 HA LYS A 12 3.889 6.873 0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.413 9.750 1.447 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.443 8.641 2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.138 8.438 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.271 9.557 0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.217 7.560 1.376 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.226 6.525 0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.391 7.181 -1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.161 8.538 -0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.647 6.640 -1.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.463 7.037 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.655 5.689 -0.158 1.00 0.00 H new ATOM 188 N GLU A 13 2.896 8.090 3.780 1.00 0.00 N ATOM 189 CA GLU A 13 2.742 7.788 5.190 1.00 0.00 C ATOM 190 C GLU A 13 1.478 6.983 5.511 1.00 0.00 C ATOM 191 O GLU A 13 1.187 6.700 6.677 1.00 0.00 O ATOM 192 CB GLU A 13 2.903 9.049 6.034 1.00 0.00 C ATOM 193 CG GLU A 13 2.077 10.233 5.579 1.00 0.00 C ATOM 194 CD GLU A 13 2.569 11.508 6.195 1.00 0.00 C ATOM 195 OE1 GLU A 13 3.715 11.916 5.884 1.00 0.00 O ATOM 196 OE2 GLU A 13 1.842 12.126 6.991 1.00 0.00 O ATOM 0 H GLU A 13 2.476 8.973 3.489 1.00 0.00 H new ATOM 0 HA GLU A 13 3.553 7.114 5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.637 8.815 7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.954 9.337 6.033 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.118 10.312 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.033 10.076 5.848 1.00 0.00 H new ATOM 203 N MET A 14 0.770 6.572 4.478 1.00 0.00 N ATOM 204 CA MET A 14 -0.366 5.676 4.636 1.00 0.00 C ATOM 205 C MET A 14 0.161 4.262 4.818 1.00 0.00 C ATOM 206 O MET A 14 1.182 3.887 4.197 1.00 0.00 O ATOM 207 CB MET A 14 -1.282 5.714 3.399 1.00 0.00 C ATOM 208 CG MET A 14 -2.161 6.948 3.261 1.00 0.00 C ATOM 209 SD MET A 14 -3.514 6.994 4.463 1.00 0.00 S ATOM 210 CE MET A 14 -4.470 5.541 3.997 1.00 0.00 C ATOM 0 H MET A 14 0.960 6.844 3.514 1.00 0.00 H new ATOM 0 HA MET A 14 -0.948 5.993 5.502 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.660 5.633 2.508 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.925 4.834 3.420 1.00 0.00 H new ATOM 0 HG2 MET A 14 -1.546 7.840 3.381 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.576 6.980 2.254 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.493 5.647 4.358 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.477 5.443 2.911 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.020 4.652 4.439 1.00 0.00 H new ATOM 220 N ALA A 15 -0.499 3.484 5.661 1.00 0.00 N ATOM 221 CA ALA A 15 -0.108 2.109 5.886 1.00 0.00 C ATOM 222 C ALA A 15 -0.326 1.309 4.606 1.00 0.00 C ATOM 223 O ALA A 15 -1.387 1.410 3.974 1.00 0.00 O ATOM 224 CB ALA A 15 -0.885 1.522 7.051 1.00 0.00 C ATOM 0 H ALA A 15 -1.310 3.786 6.201 1.00 0.00 H new ATOM 0 HA ALA A 15 0.950 2.064 6.146 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.580 0.487 7.208 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.682 2.101 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.952 1.556 6.831 1.00 0.00 H new ATOM 230 N LEU A 16 0.662 0.526 4.237 1.00 0.00 N ATOM 231 CA LEU A 16 0.673 -0.183 2.966 1.00 0.00 C ATOM 232 C LEU A 16 -0.506 -1.147 2.758 1.00 0.00 C ATOM 233 O LEU A 16 -1.108 -1.157 1.674 1.00 0.00 O ATOM 234 CB LEU A 16 2.060 -0.822 2.613 1.00 0.00 C ATOM 235 CG LEU A 16 2.745 -1.796 3.619 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.865 -2.529 2.916 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.358 -1.051 4.804 1.00 0.00 C ATOM 0 H LEU A 16 1.489 0.358 4.810 1.00 0.00 H new ATOM 0 HA LEU A 16 0.514 0.604 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.940 -1.359 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.756 -0.004 2.427 1.00 0.00 H new ATOM 0 HG LEU A 16 1.979 -2.480 3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.348 -3.212 3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.459 -3.095 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.596 -1.809 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.825 -1.766 5.481 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.109 -0.349 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.577 -0.506 5.334 1.00 0.00 H new ATOM 249 N VAL A 17 -0.879 -1.905 3.780 1.00 0.00 N ATOM 250 CA VAL A 17 -2.014 -2.824 3.644 1.00 0.00 C ATOM 251 C VAL A 17 -3.332 -2.036 3.574 1.00 0.00 C ATOM 252 O VAL A 17 -4.293 -2.452 2.914 1.00 0.00 O ATOM 253 CB VAL A 17 -2.075 -3.905 4.777 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.426 -3.312 6.135 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.026 -5.032 4.411 1.00 0.00 C ATOM 0 H VAL A 17 -0.428 -1.908 4.695 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.866 -3.368 2.711 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.071 -4.320 4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.454 -4.105 6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.673 -2.576 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.402 -2.830 6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.047 -5.766 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.028 -4.629 4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.687 -5.511 3.492 1.00 0.00 H new ATOM 265 N GLU A 18 -3.345 -0.865 4.195 1.00 0.00 N ATOM 266 CA GLU A 18 -4.526 -0.031 4.208 1.00 0.00 C ATOM 267 C GLU A 18 -4.754 0.578 2.847 1.00 0.00 C ATOM 268 O GLU A 18 -5.884 0.650 2.385 1.00 0.00 O ATOM 269 CB GLU A 18 -4.451 1.041 5.290 1.00 0.00 C ATOM 270 CG GLU A 18 -4.357 0.470 6.693 1.00 0.00 C ATOM 271 CD GLU A 18 -5.463 -0.509 6.978 1.00 0.00 C ATOM 272 OE1 GLU A 18 -6.621 -0.093 7.129 1.00 0.00 O ATOM 273 OE2 GLU A 18 -5.200 -1.713 7.056 1.00 0.00 O ATOM 0 H GLU A 18 -2.546 -0.475 4.696 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.380 -0.664 4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.584 1.675 5.104 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.333 1.678 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.394 -0.024 6.820 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.396 1.283 7.419 1.00 0.00 H new ATOM 280 N ILE A 19 -3.665 0.975 2.191 1.00 0.00 N ATOM 281 CA ILE A 19 -3.730 1.505 0.828 1.00 0.00 C ATOM 282 C ILE A 19 -4.369 0.455 -0.076 1.00 0.00 C ATOM 283 O ILE A 19 -5.299 0.743 -0.830 1.00 0.00 O ATOM 284 CB ILE A 19 -2.315 1.853 0.268 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.609 2.881 1.161 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.419 2.379 -1.165 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.190 3.214 0.727 1.00 0.00 C ATOM 0 H ILE A 19 -2.724 0.940 2.582 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.319 2.422 0.850 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.721 0.939 0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.197 3.798 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.585 2.502 2.183 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.423 2.616 -1.539 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.873 1.618 -1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.035 3.278 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.237 3.948 1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.417 2.309 0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.205 3.625 -0.282 1.00 0.00 H new ATOM 299 N ALA A 20 -3.884 -0.769 0.060 1.00 0.00 N ATOM 300 CA ALA A 20 -4.385 -1.902 -0.695 1.00 0.00 C ATOM 301 C ALA A 20 -5.867 -2.154 -0.391 1.00 0.00 C ATOM 302 O ALA A 20 -6.646 -2.401 -1.292 1.00 0.00 O ATOM 303 CB ALA A 20 -3.548 -3.137 -0.416 1.00 0.00 C ATOM 0 H ALA A 20 -3.127 -1.004 0.702 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.303 -1.670 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.937 -3.978 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.514 -2.948 -0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.591 -3.373 0.647 1.00 0.00 H new ATOM 309 N HIS A 21 -6.244 -2.061 0.881 1.00 0.00 N ATOM 310 CA HIS A 21 -7.648 -2.208 1.307 1.00 0.00 C ATOM 311 C HIS A 21 -8.559 -1.244 0.519 1.00 0.00 C ATOM 312 O HIS A 21 -9.601 -1.647 -0.029 1.00 0.00 O ATOM 313 CB HIS A 21 -7.762 -1.912 2.823 1.00 0.00 C ATOM 314 CG HIS A 21 -9.151 -2.018 3.399 1.00 0.00 C ATOM 315 ND1 HIS A 21 -10.029 -0.956 3.476 1.00 0.00 N ATOM 316 CD2 HIS A 21 -9.797 -3.063 3.948 1.00 0.00 C ATOM 317 CE1 HIS A 21 -11.139 -1.346 4.044 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.027 -2.618 4.339 1.00 0.00 N ATOM 0 H HIS A 21 -5.595 -1.883 1.648 1.00 0.00 H new ATOM 0 HA HIS A 21 -7.970 -3.230 1.107 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.110 -2.601 3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.385 -0.906 3.009 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.840 -0.011 3.141 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.414 -4.067 4.059 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.002 -0.726 4.237 1.00 0.00 H new ATOM 327 N GLU A 22 -8.134 -0.004 0.431 1.00 0.00 N ATOM 328 CA GLU A 22 -8.901 1.035 -0.235 1.00 0.00 C ATOM 329 C GLU A 22 -8.898 0.812 -1.732 1.00 0.00 C ATOM 330 O GLU A 22 -9.901 1.037 -2.409 1.00 0.00 O ATOM 331 CB GLU A 22 -8.317 2.401 0.100 1.00 0.00 C ATOM 332 CG GLU A 22 -8.128 2.648 1.607 1.00 0.00 C ATOM 333 CD GLU A 22 -9.392 2.475 2.452 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.059 1.417 2.368 1.00 0.00 O ATOM 335 OE2 GLU A 22 -9.691 3.342 3.269 1.00 0.00 O ATOM 0 H GLU A 22 -7.247 0.317 0.818 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.932 0.996 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.353 2.505 -0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.970 3.174 -0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.364 1.966 1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.749 3.660 1.750 1.00 0.00 H new ATOM 342 N LEU A 23 -7.771 0.342 -2.221 1.00 0.00 N ATOM 343 CA LEU A 23 -7.544 0.012 -3.625 1.00 0.00 C ATOM 344 C LEU A 23 -8.563 -1.030 -4.095 1.00 0.00 C ATOM 345 O LEU A 23 -9.084 -0.966 -5.231 1.00 0.00 O ATOM 346 CB LEU A 23 -6.122 -0.541 -3.732 1.00 0.00 C ATOM 347 CG LEU A 23 -5.554 -0.895 -5.096 1.00 0.00 C ATOM 348 CD1 LEU A 23 -5.557 0.318 -5.997 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.144 -1.359 -4.885 1.00 0.00 C ATOM 0 H LEU A 23 -6.953 0.170 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.661 0.893 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.453 0.191 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.074 -1.439 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.157 -1.671 -5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.147 0.049 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.579 0.677 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.947 1.104 -5.551 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.700 -1.623 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.563 -0.560 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.142 -2.232 -4.232 1.00 0.00 H new ATOM 361 N PHE A 24 -8.872 -1.969 -3.215 1.00 0.00 N ATOM 362 CA PHE A 24 -9.832 -2.997 -3.517 1.00 0.00 C ATOM 363 C PHE A 24 -11.251 -2.512 -3.488 1.00 0.00 C ATOM 364 O PHE A 24 -12.031 -2.911 -4.318 1.00 0.00 O ATOM 365 CB PHE A 24 -9.611 -4.267 -2.715 1.00 0.00 C ATOM 366 CG PHE A 24 -8.401 -4.977 -3.199 1.00 0.00 C ATOM 367 CD1 PHE A 24 -8.415 -5.573 -4.432 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.242 -5.004 -2.467 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.304 -6.188 -4.921 1.00 0.00 C ATOM 370 CE2 PHE A 24 -6.114 -5.616 -2.959 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.150 -6.211 -4.189 1.00 0.00 C ATOM 0 H PHE A 24 -8.464 -2.033 -2.282 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.649 -3.273 -4.556 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.500 -4.023 -1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.482 -4.917 -2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.319 -5.555 -5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.215 -4.539 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.334 -6.660 -5.892 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.204 -5.627 -2.377 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.269 -6.698 -4.581 1.00 0.00 H new ATOM 381 N GLU A 25 -11.590 -1.628 -2.572 1.00 0.00 N ATOM 382 CA GLU A 25 -12.932 -1.043 -2.604 1.00 0.00 C ATOM 383 C GLU A 25 -13.103 -0.046 -3.738 1.00 0.00 C ATOM 384 O GLU A 25 -14.230 0.278 -4.147 1.00 0.00 O ATOM 385 CB GLU A 25 -13.381 -0.476 -1.268 1.00 0.00 C ATOM 386 CG GLU A 25 -14.184 -1.480 -0.473 1.00 0.00 C ATOM 387 CD GLU A 25 -15.367 -1.978 -1.290 1.00 0.00 C ATOM 388 OE1 GLU A 25 -16.280 -1.169 -1.595 1.00 0.00 O ATOM 389 OE2 GLU A 25 -15.376 -3.138 -1.697 1.00 0.00 O ATOM 0 H GLU A 25 -10.986 -1.302 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.604 -1.876 -2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.508 -0.170 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -13.981 0.418 -1.436 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.550 -2.320 -0.190 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.538 -1.022 0.451 1.00 0.00 H new ATOM 396 N GLU A 26 -11.997 0.459 -4.215 1.00 0.00 N ATOM 397 CA GLU A 26 -11.969 1.325 -5.363 1.00 0.00 C ATOM 398 C GLU A 26 -12.255 0.522 -6.620 1.00 0.00 C ATOM 399 O GLU A 26 -13.133 0.852 -7.408 1.00 0.00 O ATOM 400 CB GLU A 26 -10.596 1.958 -5.474 1.00 0.00 C ATOM 401 CG GLU A 26 -10.349 2.658 -6.781 1.00 0.00 C ATOM 402 CD GLU A 26 -8.949 3.110 -6.906 1.00 0.00 C ATOM 403 OE1 GLU A 26 -8.048 2.269 -6.912 1.00 0.00 O ATOM 404 OE2 GLU A 26 -8.736 4.308 -7.052 1.00 0.00 O ATOM 0 H GLU A 26 -11.078 0.278 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.727 2.100 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.470 2.673 -4.661 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.839 1.185 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.588 1.985 -7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.017 3.515 -6.866 1.00 0.00 H new ATOM 411 N HIS A 27 -11.510 -0.540 -6.792 1.00 0.00 N ATOM 412 CA HIS A 27 -11.627 -1.363 -7.973 1.00 0.00 C ATOM 413 C HIS A 27 -12.872 -2.232 -7.948 1.00 0.00 C ATOM 414 O HIS A 27 -13.521 -2.391 -8.975 1.00 0.00 O ATOM 415 CB HIS A 27 -10.354 -2.200 -8.208 1.00 0.00 C ATOM 416 CG HIS A 27 -9.182 -1.426 -8.781 1.00 0.00 C ATOM 417 ND1 HIS A 27 -8.506 -0.426 -8.107 1.00 0.00 N ATOM 418 CD2 HIS A 27 -8.572 -1.518 -9.991 1.00 0.00 C ATOM 419 CE1 HIS A 27 -7.550 0.049 -8.878 1.00 0.00 C ATOM 420 NE2 HIS A 27 -7.566 -0.589 -10.012 1.00 0.00 N ATOM 0 H HIS A 27 -10.809 -0.859 -6.123 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.735 -0.685 -8.820 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.049 -2.646 -7.261 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -10.595 -3.021 -8.884 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -8.715 -0.106 -7.161 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.832 -2.198 -10.789 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.864 0.840 -8.612 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -6.930 -0.424 -10.792 1.00 0.00 H new ATOM 429 N LYS A 28 -13.214 -2.763 -6.759 1.00 0.00 N ATOM 430 CA LYS A 28 -14.351 -3.688 -6.568 1.00 0.00 C ATOM 431 C LYS A 28 -14.145 -4.944 -7.386 1.00 0.00 C ATOM 432 O LYS A 28 -15.081 -5.645 -7.774 1.00 0.00 O ATOM 433 CB LYS A 28 -15.685 -2.995 -6.859 1.00 0.00 C ATOM 434 CG LYS A 28 -16.161 -2.126 -5.707 1.00 0.00 C ATOM 435 CD LYS A 28 -17.309 -1.233 -6.117 1.00 0.00 C ATOM 436 CE LYS A 28 -17.984 -0.589 -4.912 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.031 0.048 -3.969 1.00 0.00 N ATOM 0 H LYS A 28 -12.707 -2.562 -5.897 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.393 -3.990 -5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.582 -2.380 -7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.441 -3.749 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.472 -2.760 -4.877 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.334 -1.514 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.943 -0.455 -6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.041 -1.816 -6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.693 0.161 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.558 -1.347 -4.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.430 0.945 -3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.863 -0.587 -3.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.131 0.233 -4.457 1.00 0.00 H new ATOM 451 N LYS A 29 -12.892 -5.244 -7.568 1.00 0.00 N ATOM 452 CA LYS A 29 -12.419 -6.343 -8.341 1.00 0.00 C ATOM 453 C LYS A 29 -11.210 -6.898 -7.643 1.00 0.00 C ATOM 454 O LYS A 29 -10.444 -6.124 -7.057 1.00 0.00 O ATOM 455 CB LYS A 29 -11.989 -5.855 -9.740 1.00 0.00 C ATOM 456 CG LYS A 29 -13.123 -5.421 -10.659 1.00 0.00 C ATOM 457 CD LYS A 29 -13.948 -6.606 -11.157 1.00 0.00 C ATOM 458 CE LYS A 29 -13.117 -7.521 -12.045 1.00 0.00 C ATOM 459 NZ LYS A 29 -13.909 -8.629 -12.604 1.00 0.00 N ATOM 0 H LYS A 29 -12.137 -4.696 -7.157 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.203 -7.093 -8.446 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.302 -5.017 -9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.433 -6.655 -10.230 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.773 -4.726 -10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.711 -4.883 -11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.330 -7.170 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.813 -6.243 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.686 -6.939 -12.859 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.286 -7.927 -11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -13.300 -9.224 -13.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -14.300 -9.202 -11.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -14.687 -8.245 -13.177 1.00 0.00 H new ATOM 473 N PRO A 30 -11.032 -8.219 -7.639 1.00 0.00 N ATOM 474 CA PRO A 30 -9.818 -8.828 -7.116 1.00 0.00 C ATOM 475 C PRO A 30 -8.661 -8.479 -8.044 1.00 0.00 C ATOM 476 O PRO A 30 -8.817 -8.484 -9.276 1.00 0.00 O ATOM 477 CB PRO A 30 -10.107 -10.336 -7.174 1.00 0.00 C ATOM 478 CG PRO A 30 -11.580 -10.446 -7.366 1.00 0.00 C ATOM 479 CD PRO A 30 -11.985 -9.226 -8.123 1.00 0.00 C ATOM 0 HA PRO A 30 -9.556 -8.495 -6.112 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.567 -10.809 -7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.792 -10.833 -6.256 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.836 -11.351 -7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.096 -10.500 -6.407 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.908 -9.373 -9.200 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.016 -8.942 -7.913 1.00 0.00 H new ATOM 487 N VAL A 31 -7.533 -8.155 -7.490 1.00 0.00 N ATOM 488 CA VAL A 31 -6.414 -7.738 -8.295 1.00 0.00 C ATOM 489 C VAL A 31 -5.194 -8.570 -7.926 1.00 0.00 C ATOM 490 O VAL A 31 -4.931 -8.797 -6.735 1.00 0.00 O ATOM 491 CB VAL A 31 -6.092 -6.203 -8.110 1.00 0.00 C ATOM 492 CG1 VAL A 31 -4.960 -5.760 -9.019 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.322 -5.330 -8.358 1.00 0.00 C ATOM 0 H VAL A 31 -7.358 -8.169 -6.485 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.674 -7.893 -9.342 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.782 -6.074 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.765 -4.699 -8.866 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.062 -6.332 -8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.240 -5.931 -10.058 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.058 -4.282 -8.221 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.678 -5.484 -9.377 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.109 -5.601 -7.654 1.00 0.00 H new ATOM 503 N PRO A 32 -4.491 -9.112 -8.934 1.00 0.00 N ATOM 504 CA PRO A 32 -3.233 -9.834 -8.733 1.00 0.00 C ATOM 505 C PRO A 32 -2.176 -8.964 -8.046 1.00 0.00 C ATOM 506 O PRO A 32 -2.173 -7.719 -8.190 1.00 0.00 O ATOM 507 CB PRO A 32 -2.803 -10.179 -10.155 1.00 0.00 C ATOM 508 CG PRO A 32 -4.080 -10.258 -10.897 1.00 0.00 C ATOM 509 CD PRO A 32 -4.901 -9.137 -10.354 1.00 0.00 C ATOM 0 HA PRO A 32 -3.351 -10.703 -8.086 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.145 -9.416 -10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.260 -11.123 -10.191 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.922 -10.150 -11.970 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.570 -11.219 -10.742 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.686 -8.194 -10.857 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.969 -9.322 -10.467 1.00 0.00 H new ATOM 517 N PHE A 33 -1.267 -9.627 -7.357 1.00 0.00 N ATOM 518 CA PHE A 33 -0.254 -9.001 -6.521 1.00 0.00 C ATOM 519 C PHE A 33 0.596 -7.989 -7.297 1.00 0.00 C ATOM 520 O PHE A 33 0.841 -6.884 -6.822 1.00 0.00 O ATOM 521 CB PHE A 33 0.630 -10.080 -5.873 1.00 0.00 C ATOM 522 CG PHE A 33 1.587 -9.549 -4.842 1.00 0.00 C ATOM 523 CD1 PHE A 33 1.177 -9.377 -3.532 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.889 -9.223 -5.179 1.00 0.00 C ATOM 525 CE1 PHE A 33 2.044 -8.889 -2.581 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.760 -8.733 -4.231 1.00 0.00 C ATOM 527 CZ PHE A 33 3.337 -8.564 -2.929 1.00 0.00 C ATOM 0 H PHE A 33 -1.209 -10.645 -7.362 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.768 -8.442 -5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.011 -10.829 -5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.197 -10.587 -6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.165 -9.629 -3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.226 -9.354 -6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.711 -8.761 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.773 -8.481 -4.507 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.017 -8.178 -2.184 1.00 0.00 H new ATOM 537 N GLN A 34 1.010 -8.348 -8.497 1.00 0.00 N ATOM 538 CA GLN A 34 1.841 -7.454 -9.297 1.00 0.00 C ATOM 539 C GLN A 34 1.070 -6.201 -9.696 1.00 0.00 C ATOM 540 O GLN A 34 1.596 -5.088 -9.643 1.00 0.00 O ATOM 541 CB GLN A 34 2.354 -8.159 -10.562 1.00 0.00 C ATOM 542 CG GLN A 34 3.298 -9.339 -10.316 1.00 0.00 C ATOM 543 CD GLN A 34 4.766 -8.965 -10.049 1.00 0.00 C ATOM 544 OE1 GLN A 34 5.034 -7.794 -9.524 1.00 0.00 O flip ATOM 545 NE2 GLN A 34 5.670 -9.748 -10.363 1.00 0.00 N flip ATOM 0 H GLN A 34 0.791 -9.240 -8.940 1.00 0.00 H new ATOM 0 HA GLN A 34 2.693 -7.167 -8.680 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.496 -8.514 -11.133 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.869 -7.426 -11.183 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.925 -9.909 -9.465 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.261 -9.999 -11.183 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.441 -10.655 -10.770 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.645 -9.487 -10.215 1.00 0.00 H new ATOM 554 N GLU A 35 -0.200 -6.360 -9.984 1.00 0.00 N ATOM 555 CA GLU A 35 -0.956 -5.291 -10.550 1.00 0.00 C ATOM 556 C GLU A 35 -1.364 -4.304 -9.501 1.00 0.00 C ATOM 557 O GLU A 35 -1.298 -3.113 -9.731 1.00 0.00 O ATOM 558 CB GLU A 35 -2.135 -5.817 -11.343 1.00 0.00 C ATOM 559 CG GLU A 35 -1.704 -6.695 -12.501 1.00 0.00 C ATOM 560 CD GLU A 35 -2.849 -7.161 -13.337 1.00 0.00 C ATOM 561 OE1 GLU A 35 -3.308 -6.398 -14.200 1.00 0.00 O ATOM 562 OE2 GLU A 35 -3.286 -8.304 -13.181 1.00 0.00 O ATOM 0 H GLU A 35 -0.723 -7.223 -9.832 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.318 -4.755 -11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.789 -6.386 -10.683 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.718 -4.978 -11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.005 -6.142 -13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.168 -7.561 -12.113 1.00 0.00 H new ATOM 569 N LEU A 36 -1.705 -4.798 -8.320 1.00 0.00 N ATOM 570 CA LEU A 36 -2.088 -3.927 -7.225 1.00 0.00 C ATOM 571 C LEU A 36 -0.926 -3.005 -6.817 1.00 0.00 C ATOM 572 O LEU A 36 -1.136 -1.852 -6.483 1.00 0.00 O ATOM 573 CB LEU A 36 -2.703 -4.736 -6.039 1.00 0.00 C ATOM 574 CG LEU A 36 -1.856 -5.860 -5.407 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.778 -5.319 -4.501 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.729 -6.845 -4.657 1.00 0.00 C ATOM 0 H LEU A 36 -1.724 -5.793 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.884 -3.266 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.959 -4.028 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.637 -5.178 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.365 -6.383 -6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.208 -6.147 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.112 -4.674 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.235 -4.745 -3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.105 -7.626 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.265 -6.325 -3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.445 -7.294 -5.345 1.00 0.00 H new ATOM 588 N LEU A 37 0.302 -3.511 -6.927 1.00 0.00 N ATOM 589 CA LEU A 37 1.487 -2.731 -6.619 1.00 0.00 C ATOM 590 C LEU A 37 1.661 -1.626 -7.647 1.00 0.00 C ATOM 591 O LEU A 37 2.012 -0.496 -7.307 1.00 0.00 O ATOM 592 CB LEU A 37 2.709 -3.632 -6.598 1.00 0.00 C ATOM 593 CG LEU A 37 2.782 -4.663 -5.481 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.940 -5.602 -5.729 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.928 -3.982 -4.126 1.00 0.00 C ATOM 0 H LEU A 37 0.496 -4.465 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 37 1.371 -2.277 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.759 -4.159 -7.551 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.595 -3.001 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 37 1.855 -5.236 -5.471 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.989 -6.339 -4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.798 -6.112 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.870 -5.034 -5.757 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.978 -4.738 -3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.841 -3.386 -4.115 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.070 -3.334 -3.950 1.00 0.00 H new ATOM 607 N ASN A 38 1.386 -1.960 -8.901 1.00 0.00 N ATOM 608 CA ASN A 38 1.432 -0.985 -9.999 1.00 0.00 C ATOM 609 C ASN A 38 0.437 0.137 -9.758 1.00 0.00 C ATOM 610 O ASN A 38 0.772 1.320 -9.900 1.00 0.00 O ATOM 611 CB ASN A 38 1.167 -1.658 -11.361 1.00 0.00 C ATOM 612 CG ASN A 38 2.390 -2.339 -11.950 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.131 -1.744 -12.716 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.627 -3.570 -11.596 1.00 0.00 N ATOM 0 H ASN A 38 1.127 -2.903 -9.191 1.00 0.00 H new ATOM 0 HA ASN A 38 2.436 -0.562 -10.026 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.372 -2.395 -11.244 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.806 -0.907 -12.064 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.446 -4.057 -11.960 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.994 -4.047 -10.954 1.00 0.00 H new ATOM 621 N GLU A 39 -0.770 -0.243 -9.349 1.00 0.00 N ATOM 622 CA GLU A 39 -1.840 0.702 -9.049 1.00 0.00 C ATOM 623 C GLU A 39 -1.392 1.673 -7.954 1.00 0.00 C ATOM 624 O GLU A 39 -1.507 2.898 -8.108 1.00 0.00 O ATOM 625 CB GLU A 39 -3.090 -0.033 -8.553 1.00 0.00 C ATOM 626 CG GLU A 39 -3.593 -1.158 -9.445 1.00 0.00 C ATOM 627 CD GLU A 39 -3.960 -0.706 -10.822 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.130 -0.337 -11.035 1.00 0.00 O ATOM 629 OE2 GLU A 39 -3.106 -0.720 -11.710 1.00 0.00 O ATOM 0 H GLU A 39 -1.034 -1.219 -9.216 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.072 1.244 -9.966 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.879 -0.444 -7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.892 0.695 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.824 -1.927 -9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.463 -1.620 -8.978 1.00 0.00 H new ATOM 636 N ILE A 40 -0.870 1.108 -6.862 1.00 0.00 N ATOM 637 CA ILE A 40 -0.416 1.882 -5.707 1.00 0.00 C ATOM 638 C ILE A 40 0.692 2.854 -6.094 1.00 0.00 C ATOM 639 O ILE A 40 0.548 4.056 -5.918 1.00 0.00 O ATOM 640 CB ILE A 40 0.109 0.963 -4.556 1.00 0.00 C ATOM 641 CG1 ILE A 40 -0.984 0.017 -4.063 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.640 1.803 -3.389 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.498 -1.035 -3.080 1.00 0.00 C ATOM 0 H ILE A 40 -0.751 0.101 -6.755 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.285 2.435 -5.352 1.00 0.00 H new ATOM 0 HB ILE A 40 0.926 0.365 -4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.771 0.604 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.431 -0.483 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.000 1.143 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.459 2.433 -3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.161 2.432 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.334 -1.666 -2.779 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.268 -1.649 -3.554 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.078 -0.545 -2.201 1.00 0.00 H new ATOM 655 N ALA A 41 1.766 2.324 -6.661 1.00 0.00 N ATOM 656 CA ALA A 41 2.960 3.106 -6.973 1.00 0.00 C ATOM 657 C ALA A 41 2.662 4.321 -7.831 1.00 0.00 C ATOM 658 O ALA A 41 3.133 5.402 -7.540 1.00 0.00 O ATOM 659 CB ALA A 41 4.011 2.243 -7.627 1.00 0.00 C ATOM 0 H ALA A 41 1.837 1.340 -6.919 1.00 0.00 H new ATOM 0 HA ALA A 41 3.344 3.477 -6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.891 2.847 -7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.288 1.433 -6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.614 1.825 -8.552 1.00 0.00 H new ATOM 665 N SER A 42 1.875 4.137 -8.867 1.00 0.00 N ATOM 666 CA SER A 42 1.526 5.232 -9.753 1.00 0.00 C ATOM 667 C SER A 42 0.541 6.209 -9.120 1.00 0.00 C ATOM 668 O SER A 42 0.475 7.373 -9.527 1.00 0.00 O ATOM 669 CB SER A 42 1.032 4.701 -11.081 1.00 0.00 C ATOM 670 OG SER A 42 1.994 3.808 -11.628 1.00 0.00 O ATOM 0 H SER A 42 1.462 3.239 -9.120 1.00 0.00 H new ATOM 0 HA SER A 42 2.433 5.808 -9.936 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.080 4.188 -10.947 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.855 5.526 -11.770 1.00 0.00 H new ATOM 0 HG SER A 42 1.867 2.915 -11.244 1.00 0.00 H new ATOM 676 N LEU A 43 -0.255 5.737 -8.167 1.00 0.00 N ATOM 677 CA LEU A 43 -1.169 6.615 -7.462 1.00 0.00 C ATOM 678 C LEU A 43 -0.353 7.612 -6.646 1.00 0.00 C ATOM 679 O LEU A 43 -0.698 8.796 -6.539 1.00 0.00 O ATOM 680 CB LEU A 43 -2.120 5.817 -6.568 1.00 0.00 C ATOM 681 CG LEU A 43 -3.168 6.631 -5.816 1.00 0.00 C ATOM 682 CD1 LEU A 43 -4.035 7.411 -6.794 1.00 0.00 C ATOM 683 CD2 LEU A 43 -4.021 5.718 -4.956 1.00 0.00 C ATOM 0 H LEU A 43 -0.283 4.762 -7.870 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.787 7.153 -8.181 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.634 5.080 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.526 5.265 -5.840 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.660 7.343 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.778 7.987 -6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.409 8.088 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.540 6.717 -7.466 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.765 6.310 -4.424 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.524 4.987 -5.589 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.388 5.200 -4.236 1.00 0.00 H new ATOM 695 N LEU A 44 0.745 7.129 -6.102 1.00 0.00 N ATOM 696 CA LEU A 44 1.691 7.976 -5.436 1.00 0.00 C ATOM 697 C LEU A 44 2.514 8.697 -6.489 1.00 0.00 C ATOM 698 O LEU A 44 2.713 8.196 -7.589 1.00 0.00 O ATOM 699 CB LEU A 44 2.646 7.191 -4.501 1.00 0.00 C ATOM 700 CG LEU A 44 2.108 6.659 -3.154 1.00 0.00 C ATOM 701 CD1 LEU A 44 1.026 5.610 -3.323 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.248 6.110 -2.311 1.00 0.00 C ATOM 0 H LEU A 44 0.999 6.141 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 44 1.132 8.674 -4.814 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.028 6.338 -5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.497 7.836 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 44 1.649 7.505 -2.642 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.688 5.275 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.186 6.039 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.425 4.762 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.855 5.739 -1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.736 5.295 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.971 6.902 -2.117 1.00 0.00 H new ATOM 714 N GLY A 45 2.978 9.855 -6.163 1.00 0.00 N ATOM 715 CA GLY A 45 3.820 10.603 -7.093 1.00 0.00 C ATOM 716 C GLY A 45 5.288 10.211 -6.972 1.00 0.00 C ATOM 717 O GLY A 45 6.177 11.059 -7.061 1.00 0.00 O ATOM 0 H GLY A 45 2.802 10.319 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.480 10.426 -8.113 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.712 11.671 -6.902 1.00 0.00 H new ATOM 721 N VAL A 46 5.543 8.930 -6.792 1.00 0.00 N ATOM 722 CA VAL A 46 6.884 8.435 -6.567 1.00 0.00 C ATOM 723 C VAL A 46 7.189 7.289 -7.506 1.00 0.00 C ATOM 724 O VAL A 46 6.298 6.799 -8.208 1.00 0.00 O ATOM 725 CB VAL A 46 7.095 7.936 -5.101 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.873 9.041 -4.090 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.215 6.728 -4.786 1.00 0.00 C ATOM 0 H VAL A 46 4.826 8.205 -6.798 1.00 0.00 H new ATOM 0 HA VAL A 46 7.557 9.273 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 46 8.136 7.623 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.030 8.651 -3.084 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.576 9.853 -4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.853 9.416 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.389 6.409 -3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.167 7.000 -4.909 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.461 5.912 -5.466 1.00 0.00 H new ATOM 737 N LYS A 47 8.431 6.857 -7.494 1.00 0.00 N ATOM 738 CA LYS A 47 8.863 5.738 -8.287 1.00 0.00 C ATOM 739 C LYS A 47 8.390 4.448 -7.611 1.00 0.00 C ATOM 740 O LYS A 47 8.139 4.425 -6.396 1.00 0.00 O ATOM 741 CB LYS A 47 10.403 5.741 -8.431 1.00 0.00 C ATOM 742 CG LYS A 47 11.166 5.471 -7.131 1.00 0.00 C ATOM 743 CD LYS A 47 12.680 5.557 -7.311 1.00 0.00 C ATOM 744 CE LYS A 47 13.160 6.990 -7.476 1.00 0.00 C ATOM 745 NZ LYS A 47 13.004 7.772 -6.232 1.00 0.00 N ATOM 0 H LYS A 47 9.169 7.277 -6.930 1.00 0.00 H new ATOM 0 HA LYS A 47 8.434 5.807 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.687 4.989 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.716 6.707 -8.826 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.852 6.190 -6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.904 4.481 -6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.172 5.108 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.974 4.975 -8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.208 6.989 -7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.600 7.470 -8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.311 8.532 -6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.672 7.148 -5.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.920 8.187 -5.966 1.00 0.00 H new ATOM 759 N LYS A 48 8.289 3.395 -8.367 1.00 0.00 N ATOM 760 CA LYS A 48 7.812 2.123 -7.860 1.00 0.00 C ATOM 761 C LYS A 48 8.802 1.516 -6.863 1.00 0.00 C ATOM 762 O LYS A 48 8.408 0.810 -5.958 1.00 0.00 O ATOM 763 CB LYS A 48 7.555 1.156 -9.021 1.00 0.00 C ATOM 764 CG LYS A 48 6.928 -0.163 -8.606 1.00 0.00 C ATOM 765 CD LYS A 48 6.731 -1.170 -9.771 1.00 0.00 C ATOM 766 CE LYS A 48 5.770 -0.698 -10.891 1.00 0.00 C ATOM 767 NZ LYS A 48 6.317 0.372 -11.776 1.00 0.00 N ATOM 0 H LYS A 48 8.534 3.384 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 48 6.875 2.297 -7.331 1.00 0.00 H new ATOM 0 HB2 LYS A 48 6.903 1.643 -9.747 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.499 0.953 -9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.554 -0.626 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.960 0.037 -8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.704 -1.384 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 48 6.354 -2.107 -9.361 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.502 -1.557 -11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.850 -0.335 -10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.839 1.272 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.338 0.475 -11.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.156 0.116 -12.771 1.00 0.00 H new ATOM 781 N GLU A 49 10.074 1.832 -7.037 1.00 0.00 N ATOM 782 CA GLU A 49 11.167 1.318 -6.207 1.00 0.00 C ATOM 783 C GLU A 49 10.998 1.641 -4.707 1.00 0.00 C ATOM 784 O GLU A 49 11.452 0.867 -3.846 1.00 0.00 O ATOM 785 CB GLU A 49 12.538 1.803 -6.712 1.00 0.00 C ATOM 786 CG GLU A 49 12.850 1.470 -8.178 1.00 0.00 C ATOM 787 CD GLU A 49 12.281 2.467 -9.175 1.00 0.00 C ATOM 788 OE1 GLU A 49 11.058 2.493 -9.390 1.00 0.00 O ATOM 789 OE2 GLU A 49 13.063 3.224 -9.774 1.00 0.00 O ATOM 0 H GLU A 49 10.389 2.465 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 49 11.123 0.233 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.594 2.884 -6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.314 1.366 -6.084 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.931 1.421 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.457 0.479 -8.406 1.00 0.00 H new ATOM 796 N GLU A 50 10.321 2.752 -4.402 1.00 0.00 N ATOM 797 CA GLU A 50 10.013 3.142 -3.007 1.00 0.00 C ATOM 798 C GLU A 50 9.125 2.046 -2.425 1.00 0.00 C ATOM 799 O GLU A 50 9.381 1.420 -1.359 1.00 0.00 O ATOM 800 CB GLU A 50 9.169 4.417 -3.015 1.00 0.00 C ATOM 801 CG GLU A 50 9.694 5.554 -3.861 1.00 0.00 C ATOM 802 CD GLU A 50 10.961 6.158 -3.347 1.00 0.00 C ATOM 803 OE1 GLU A 50 10.908 6.796 -2.289 1.00 0.00 O ATOM 804 OE2 GLU A 50 12.013 6.033 -4.003 1.00 0.00 O ATOM 0 H GLU A 50 9.970 3.406 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 50 10.935 3.289 -2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.168 4.164 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.070 4.770 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.861 5.192 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.932 6.331 -3.922 1.00 0.00 H new ATOM 811 N LEU A 51 8.115 1.746 -3.201 1.00 0.00 N ATOM 812 CA LEU A 51 7.173 0.755 -2.852 1.00 0.00 C ATOM 813 C LEU A 51 7.784 -0.620 -3.095 1.00 0.00 C ATOM 814 O LEU A 51 7.173 -1.575 -2.837 1.00 0.00 O ATOM 815 CB LEU A 51 5.874 0.931 -3.657 1.00 0.00 C ATOM 816 CG LEU A 51 4.716 -0.019 -3.319 1.00 0.00 C ATOM 817 CD1 LEU A 51 4.136 0.272 -1.943 1.00 0.00 C ATOM 818 CD2 LEU A 51 3.650 0.034 -4.388 1.00 0.00 C ATOM 0 H LEU A 51 7.936 2.197 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 51 6.919 0.852 -1.797 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.525 1.954 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.111 0.815 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 51 5.115 -1.033 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.319 -0.420 -1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.912 0.150 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.761 1.295 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.840 -0.647 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.261 1.049 -4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.079 -0.262 -5.345 1.00 0.00 H new ATOM 830 N GLY A 52 9.020 -0.658 -3.598 1.00 0.00 N ATOM 831 CA GLY A 52 9.755 -1.895 -3.809 1.00 0.00 C ATOM 832 C GLY A 52 10.281 -2.408 -2.496 1.00 0.00 C ATOM 833 O GLY A 52 10.150 -3.633 -2.171 1.00 0.00 O ATOM 0 H GLY A 52 9.538 0.178 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.105 -2.641 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.581 -1.724 -4.500 1.00 0.00 H new ATOM 837 N ASP A 53 10.842 -1.475 -1.696 1.00 0.00 N ATOM 838 CA ASP A 53 11.259 -1.795 -0.315 1.00 0.00 C ATOM 839 C ASP A 53 10.009 -2.272 0.378 1.00 0.00 C ATOM 840 O ASP A 53 9.960 -3.340 1.050 1.00 0.00 O ATOM 841 CB ASP A 53 11.760 -0.547 0.457 1.00 0.00 C ATOM 842 CG ASP A 53 12.861 0.239 -0.217 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.052 -0.126 -0.101 1.00 0.00 O ATOM 844 OD2 ASP A 53 12.555 1.259 -0.852 1.00 0.00 O ATOM 0 H ASP A 53 11.014 -0.510 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 53 12.072 -2.521 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.913 0.119 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.114 -0.866 1.437 1.00 0.00 H new ATOM 849 N ARG A 54 8.959 -1.505 0.149 1.00 0.00 N ATOM 850 CA ARG A 54 7.667 -1.838 0.657 1.00 0.00 C ATOM 851 C ARG A 54 7.021 -3.088 0.035 1.00 0.00 C ATOM 852 O ARG A 54 6.085 -3.549 0.566 1.00 0.00 O ATOM 853 CB ARG A 54 6.711 -0.647 0.746 1.00 0.00 C ATOM 854 CG ARG A 54 6.861 0.142 2.039 1.00 0.00 C ATOM 855 CD ARG A 54 5.859 1.285 2.136 1.00 0.00 C ATOM 856 NE ARG A 54 5.692 1.726 3.538 1.00 0.00 N ATOM 857 CZ ARG A 54 4.677 2.463 4.040 1.00 0.00 C ATOM 858 NH1 ARG A 54 3.695 2.923 3.253 1.00 0.00 N ATOM 859 NH2 ARG A 54 4.656 2.721 5.332 1.00 0.00 N ATOM 0 H ARG A 54 8.990 -0.641 -0.393 1.00 0.00 H new ATOM 0 HA ARG A 54 7.872 -2.130 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 54 6.887 0.017 -0.100 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.685 -1.005 0.662 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.729 -0.528 2.889 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.873 0.542 2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.197 2.122 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.897 0.965 1.735 1.00 0.00 H new ATOM 0 HE ARG A 54 6.420 1.444 4.195 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.704 2.719 2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.938 3.478 3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.398 2.366 5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.898 3.276 5.729 1.00 0.00 H new ATOM 873 N ILE A 55 7.516 -3.598 -1.104 1.00 0.00 N ATOM 874 CA ILE A 55 6.982 -4.842 -1.718 1.00 0.00 C ATOM 875 C ILE A 55 7.358 -5.994 -0.850 1.00 0.00 C ATOM 876 O ILE A 55 6.525 -6.845 -0.524 1.00 0.00 O ATOM 877 CB ILE A 55 7.515 -5.118 -3.189 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.923 -4.130 -4.196 1.00 0.00 C ATOM 879 CG2 ILE A 55 7.224 -6.561 -3.637 1.00 0.00 C ATOM 880 CD1 ILE A 55 7.449 -4.281 -5.616 1.00 0.00 C ATOM 0 H ILE A 55 8.284 -3.175 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 55 5.902 -4.717 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 55 8.596 -4.978 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.840 -4.250 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.127 -3.116 -3.853 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.603 -6.712 -4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.714 -7.259 -2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.148 -6.736 -3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.975 -3.541 -6.260 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.528 -4.129 -5.622 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.221 -5.281 -5.984 1.00 0.00 H new ATOM 892 N ALA A 56 8.615 -6.007 -0.453 1.00 0.00 N ATOM 893 CA ALA A 56 9.105 -7.052 0.433 1.00 0.00 C ATOM 894 C ALA A 56 8.317 -7.024 1.747 1.00 0.00 C ATOM 895 O ALA A 56 7.714 -8.042 2.197 1.00 0.00 O ATOM 896 CB ALA A 56 10.572 -6.851 0.688 1.00 0.00 C ATOM 0 H ALA A 56 9.312 -5.314 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 56 8.965 -8.026 -0.035 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.937 -7.635 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.115 -6.894 -0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.730 -5.878 1.154 1.00 0.00 H new ATOM 902 N GLN A 57 8.224 -5.837 2.315 1.00 0.00 N ATOM 903 CA GLN A 57 7.484 -5.671 3.540 1.00 0.00 C ATOM 904 C GLN A 57 5.976 -5.869 3.313 1.00 0.00 C ATOM 905 O GLN A 57 5.242 -6.162 4.236 1.00 0.00 O ATOM 906 CB GLN A 57 7.808 -4.323 4.199 1.00 0.00 C ATOM 907 CG GLN A 57 7.032 -4.035 5.489 1.00 0.00 C ATOM 908 CD GLN A 57 7.052 -5.192 6.495 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.989 -5.978 6.557 1.00 0.00 O ATOM 910 NE2 GLN A 57 6.012 -5.301 7.275 1.00 0.00 N ATOM 0 H GLN A 57 8.648 -4.985 1.949 1.00 0.00 H new ATOM 0 HA GLN A 57 7.798 -6.448 4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.875 -4.289 4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.604 -3.526 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.450 -3.147 5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.997 -3.804 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.246 -4.631 7.201 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.965 -6.056 7.959 1.00 0.00 H new ATOM 919 N PHE A 58 5.537 -5.763 2.085 1.00 0.00 N ATOM 920 CA PHE A 58 4.145 -5.946 1.769 1.00 0.00 C ATOM 921 C PHE A 58 3.812 -7.404 1.871 1.00 0.00 C ATOM 922 O PHE A 58 2.750 -7.743 2.310 1.00 0.00 O ATOM 923 CB PHE A 58 3.797 -5.381 0.390 1.00 0.00 C ATOM 924 CG PHE A 58 2.332 -5.294 0.089 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.462 -4.635 0.949 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.831 -5.832 -1.067 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.124 -4.528 0.649 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.499 -5.732 -1.370 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.360 -5.079 -0.513 1.00 0.00 C ATOM 0 H PHE A 58 6.129 -5.549 1.282 1.00 0.00 H new ATOM 0 HA PHE A 58 3.540 -5.390 2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.229 -4.384 0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.272 -6.002 -0.370 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.841 -4.202 1.863 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.495 -6.342 -1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.544 -4.013 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.121 -6.166 -2.284 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.410 -5.001 -0.754 1.00 0.00 H new ATOM 939 N TYR A 59 4.751 -8.275 1.501 1.00 0.00 N ATOM 940 CA TYR A 59 4.547 -9.700 1.703 1.00 0.00 C ATOM 941 C TYR A 59 4.362 -9.963 3.173 1.00 0.00 C ATOM 942 O TYR A 59 3.395 -10.611 3.579 1.00 0.00 O ATOM 943 CB TYR A 59 5.714 -10.543 1.211 1.00 0.00 C ATOM 944 CG TYR A 59 5.872 -10.635 -0.275 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.965 -11.354 -1.039 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.940 -10.038 -0.912 1.00 0.00 C ATOM 947 CE1 TYR A 59 5.123 -11.470 -2.402 1.00 0.00 C ATOM 948 CE2 TYR A 59 7.112 -10.152 -2.268 1.00 0.00 C ATOM 949 CZ TYR A 59 6.202 -10.867 -3.010 1.00 0.00 C ATOM 950 OH TYR A 59 6.384 -10.989 -4.366 1.00 0.00 O ATOM 0 H TYR A 59 5.640 -8.022 1.070 1.00 0.00 H new ATOM 0 HA TYR A 59 3.667 -9.982 1.126 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.634 -10.136 1.630 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.602 -11.552 1.608 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.123 -11.830 -0.558 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.653 -9.471 -0.333 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.408 -12.028 -2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.957 -9.683 -2.750 1.00 0.00 H new ATOM 0 HH TYR A 59 5.737 -10.422 -4.835 1.00 0.00 H new ATOM 960 N THR A 60 5.262 -9.427 3.963 1.00 0.00 N ATOM 961 CA THR A 60 5.202 -9.592 5.398 1.00 0.00 C ATOM 962 C THR A 60 3.867 -9.044 6.000 1.00 0.00 C ATOM 963 O THR A 60 3.113 -9.780 6.651 1.00 0.00 O ATOM 964 CB THR A 60 6.403 -8.885 6.036 1.00 0.00 C ATOM 965 OG1 THR A 60 7.605 -9.356 5.396 1.00 0.00 O ATOM 966 CG2 THR A 60 6.471 -9.175 7.525 1.00 0.00 C ATOM 0 H THR A 60 6.050 -8.869 3.634 1.00 0.00 H new ATOM 0 HA THR A 60 5.235 -10.659 5.619 1.00 0.00 H new ATOM 0 HB THR A 60 6.298 -7.808 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.383 -8.911 5.793 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.331 -8.663 7.956 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.559 -8.822 8.007 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.572 -10.249 7.682 1.00 0.00 H new ATOM 974 N ASP A 61 3.570 -7.795 5.706 1.00 0.00 N ATOM 975 CA ASP A 61 2.418 -7.079 6.269 1.00 0.00 C ATOM 976 C ASP A 61 1.075 -7.613 5.757 1.00 0.00 C ATOM 977 O ASP A 61 0.127 -7.806 6.528 1.00 0.00 O ATOM 978 CB ASP A 61 2.559 -5.580 5.984 1.00 0.00 C ATOM 979 CG ASP A 61 1.408 -4.751 6.499 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.032 -4.899 7.678 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.877 -3.931 5.740 1.00 0.00 O ATOM 0 H ASP A 61 4.123 -7.231 5.061 1.00 0.00 H new ATOM 0 HA ASP A 61 2.417 -7.249 7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.484 -5.220 6.434 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.649 -5.431 4.908 1.00 0.00 H new ATOM 986 N LEU A 62 1.007 -7.903 4.484 1.00 0.00 N ATOM 987 CA LEU A 62 -0.222 -8.381 3.868 1.00 0.00 C ATOM 988 C LEU A 62 -0.592 -9.771 4.391 1.00 0.00 C ATOM 989 O LEU A 62 -1.772 -10.087 4.567 1.00 0.00 O ATOM 990 CB LEU A 62 -0.072 -8.381 2.345 1.00 0.00 C ATOM 991 CG LEU A 62 -1.261 -8.805 1.509 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.456 -7.920 1.798 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.896 -8.719 0.045 1.00 0.00 C ATOM 0 H LEU A 62 1.793 -7.818 3.840 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.036 -7.707 4.136 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.208 -7.373 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.763 -9.035 2.093 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.526 -9.832 1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.301 -8.239 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.720 -7.998 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.208 -6.885 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.749 -9.023 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.623 -7.693 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.052 -9.378 -0.159 1.00 0.00 H new ATOM 1005 N ASN A 63 0.414 -10.575 4.694 1.00 0.00 N ATOM 1006 CA ASN A 63 0.176 -11.929 5.196 1.00 0.00 C ATOM 1007 C ASN A 63 -0.095 -11.965 6.703 1.00 0.00 C ATOM 1008 O ASN A 63 -0.322 -13.032 7.262 1.00 0.00 O ATOM 1009 CB ASN A 63 1.300 -12.924 4.815 1.00 0.00 C ATOM 1010 CG ASN A 63 1.278 -13.344 3.341 1.00 0.00 C ATOM 1011 OD1 ASN A 63 0.608 -14.300 2.968 1.00 0.00 O ATOM 1012 ND2 ASN A 63 2.030 -12.671 2.508 1.00 0.00 N ATOM 0 H ASN A 63 1.398 -10.321 4.604 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.732 -12.260 4.692 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.266 -12.471 5.040 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.212 -13.814 5.438 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.067 -12.939 1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.579 -11.879 2.842 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.047 -10.815 7.374 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.381 -10.773 8.809 1.00 0.00 C ATOM 1021 C ILE A 64 -1.672 -9.986 9.048 1.00 0.00 C ATOM 1022 O ILE A 64 -2.096 -9.787 10.186 1.00 0.00 O ATOM 1023 CB ILE A 64 0.767 -10.209 9.712 1.00 0.00 C ATOM 1024 CG1 ILE A 64 1.139 -8.773 9.322 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.984 -11.120 9.666 1.00 0.00 C ATOM 1026 CD1 ILE A 64 2.225 -8.144 10.178 1.00 0.00 C ATOM 0 H ILE A 64 0.212 -9.917 6.966 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.524 -11.812 9.105 1.00 0.00 H new ATOM 0 HB ILE A 64 0.398 -10.182 10.737 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.466 -8.766 8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.245 -8.152 9.379 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.770 -10.710 10.300 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.710 -12.112 10.024 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.346 -11.192 8.640 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.422 -7.130 9.829 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.897 -8.113 11.217 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.137 -8.737 10.103 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.306 -9.571 7.963 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.570 -8.819 8.025 1.00 0.00 C ATOM 1040 C ASP A 65 -4.731 -9.761 8.372 1.00 0.00 C ATOM 1041 O ASP A 65 -4.593 -10.983 8.243 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.830 -8.102 6.687 1.00 0.00 C ATOM 1043 CG ASP A 65 -5.191 -7.441 6.626 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -5.381 -6.377 7.240 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -6.097 -8.021 6.016 1.00 0.00 O ATOM 0 H ASP A 65 -1.970 -9.740 7.015 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.494 -8.065 8.808 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.059 -7.348 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.745 -8.821 5.873 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.851 -9.217 8.825 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.964 -10.041 9.193 1.00 0.00 C ATOM 1052 C GLY A 66 -8.269 -9.698 8.476 1.00 0.00 C ATOM 1053 O GLY A 66 -9.330 -10.033 8.982 1.00 0.00 O ATOM 0 H GLY A 66 -6.001 -8.215 8.942 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.713 -11.082 8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.122 -9.958 10.268 1.00 0.00 H new ATOM 1057 N ARG A 67 -8.215 -9.010 7.328 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.463 -8.725 6.566 1.00 0.00 C ATOM 1059 C ARG A 67 -9.316 -9.126 5.095 1.00 0.00 C ATOM 1060 O ARG A 67 -10.313 -9.372 4.383 1.00 0.00 O ATOM 1061 CB ARG A 67 -9.873 -7.243 6.649 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.859 -6.675 8.049 1.00 0.00 C ATOM 1063 CD ARG A 67 -8.643 -5.791 8.259 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.839 -4.462 7.665 1.00 0.00 N ATOM 1065 CZ ARG A 67 -7.870 -3.584 7.400 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -6.613 -3.973 7.250 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -8.183 -2.315 7.186 1.00 0.00 N ATOM 0 H ARG A 67 -7.359 -8.647 6.908 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.247 -9.323 7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.200 -6.656 6.024 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.874 -7.131 6.233 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.768 -6.098 8.222 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.854 -7.487 8.776 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.445 -5.689 9.326 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -7.766 -6.264 7.816 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.794 -4.188 7.436 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.371 -4.960 7.337 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.887 -3.286 7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.158 -2.017 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.449 -1.636 6.983 1.00 0.00 H new ATOM 1081 N PHE A 68 -8.087 -9.157 4.633 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.764 -9.536 3.285 1.00 0.00 C ATOM 1083 C PHE A 68 -8.126 -10.968 2.941 1.00 0.00 C ATOM 1084 O PHE A 68 -8.389 -11.817 3.813 1.00 0.00 O ATOM 1085 CB PHE A 68 -6.300 -9.268 2.981 1.00 0.00 C ATOM 1086 CG PHE A 68 -6.088 -8.018 2.205 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -6.133 -6.774 2.808 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.858 -8.094 0.854 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.947 -5.631 2.057 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.677 -6.972 0.107 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.720 -5.739 0.699 1.00 0.00 C ATOM 0 H PHE A 68 -7.272 -8.914 5.197 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.387 -8.908 2.648 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.745 -9.206 3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.890 -10.110 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.314 -6.697 3.870 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.820 -9.062 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.979 -4.660 2.528 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.499 -7.054 -0.955 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.576 -4.849 0.104 1.00 0.00 H new ATOM 1101 N LEU A 69 -8.147 -11.214 1.668 1.00 0.00 N ATOM 1102 CA LEU A 69 -8.469 -12.484 1.117 1.00 0.00 C ATOM 1103 C LEU A 69 -7.568 -12.747 -0.058 1.00 0.00 C ATOM 1104 O LEU A 69 -7.370 -11.866 -0.893 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.916 -12.461 0.631 1.00 0.00 C ATOM 1106 CG LEU A 69 -10.444 -13.724 -0.054 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -10.487 -14.902 0.908 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -11.810 -13.462 -0.655 1.00 0.00 C ATOM 0 H LEU A 69 -7.932 -10.508 0.963 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.340 -13.261 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.556 -12.248 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.026 -11.629 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.756 -13.987 -0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.867 -15.782 0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.483 -15.105 1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.143 -14.664 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.174 -14.368 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.504 -13.167 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.736 -12.662 -1.391 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.998 -13.915 -0.098 1.00 0.00 N ATOM 1121 CA ALA A 70 -6.242 -14.343 -1.241 1.00 0.00 C ATOM 1122 C ALA A 70 -7.146 -15.255 -2.043 1.00 0.00 C ATOM 1123 O ALA A 70 -7.413 -16.395 -1.636 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.970 -15.060 -0.816 1.00 0.00 C ATOM 0 H ALA A 70 -7.043 -14.598 0.658 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.926 -13.490 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.416 -15.374 -1.701 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.353 -14.386 -0.222 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.228 -15.936 -0.220 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.673 -14.732 -3.120 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.648 -15.436 -3.918 1.00 0.00 C ATOM 1132 C LEU A 71 -8.092 -16.619 -4.742 1.00 0.00 C ATOM 1133 O LEU A 71 -8.186 -17.766 -4.294 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.518 -14.489 -4.768 1.00 0.00 C ATOM 1135 CG LEU A 71 -10.405 -13.476 -4.006 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -9.614 -12.302 -3.458 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -11.526 -12.990 -4.874 1.00 0.00 C ATOM 0 H LEU A 71 -7.439 -13.803 -3.471 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.301 -15.903 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.860 -13.930 -5.433 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.165 -15.098 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.822 -14.009 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.286 -11.623 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.854 -12.666 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.133 -11.772 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.136 -12.279 -4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.116 -12.502 -5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.142 -13.835 -5.179 1.00 0.00 H new ATOM 1149 N SER A 72 -7.498 -16.385 -5.919 1.00 0.00 N ATOM 1150 CA SER A 72 -7.134 -17.544 -6.723 1.00 0.00 C ATOM 1151 C SER A 72 -5.639 -17.961 -6.651 1.00 0.00 C ATOM 1152 O SER A 72 -5.346 -19.039 -6.148 1.00 0.00 O ATOM 1153 CB SER A 72 -7.609 -17.352 -8.178 1.00 0.00 C ATOM 1154 OG SER A 72 -7.412 -18.525 -8.954 1.00 0.00 O ATOM 0 H SER A 72 -7.274 -15.470 -6.310 1.00 0.00 H new ATOM 0 HA SER A 72 -7.658 -18.389 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.666 -17.085 -8.184 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.068 -16.521 -8.631 1.00 0.00 H new ATOM 0 HG SER A 72 -7.725 -18.368 -9.869 1.00 0.00 H new ATOM 1160 N ASP A 73 -4.696 -17.125 -7.092 1.00 0.00 N ATOM 1161 CA ASP A 73 -3.252 -17.560 -7.033 1.00 0.00 C ATOM 1162 C ASP A 73 -2.393 -16.598 -6.232 1.00 0.00 C ATOM 1163 O ASP A 73 -1.349 -16.958 -5.693 1.00 0.00 O ATOM 1164 CB ASP A 73 -2.716 -17.658 -8.479 1.00 0.00 C ATOM 1165 CG ASP A 73 -1.206 -17.787 -8.590 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -0.669 -18.899 -8.444 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -0.547 -16.771 -8.865 1.00 0.00 O ATOM 0 H ASP A 73 -4.863 -16.195 -7.476 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.202 -18.526 -6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.177 -18.518 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.033 -16.772 -9.030 1.00 0.00 H new ATOM 1172 N GLN A 74 -2.925 -15.424 -6.085 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.347 -14.281 -5.367 1.00 0.00 C ATOM 1174 C GLN A 74 -3.166 -13.066 -5.694 1.00 0.00 C ATOM 1175 O GLN A 74 -2.706 -11.941 -5.627 1.00 0.00 O ATOM 1176 CB GLN A 74 -0.828 -14.006 -5.658 1.00 0.00 C ATOM 1177 CG GLN A 74 -0.320 -14.088 -7.116 1.00 0.00 C ATOM 1178 CD GLN A 74 -1.181 -13.393 -8.141 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -1.043 -12.204 -8.378 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -1.993 -14.156 -8.824 1.00 0.00 N ATOM 0 H GLN A 74 -3.838 -15.202 -6.483 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.380 -14.526 -4.305 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.596 -13.009 -5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.246 -14.712 -5.066 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.682 -13.661 -7.158 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.231 -15.138 -7.393 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.078 -15.146 -8.593 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.541 -13.762 -9.588 1.00 0.00 H new ATOM 1189 N THR A 75 -4.379 -13.317 -6.075 1.00 0.00 N ATOM 1190 CA THR A 75 -5.292 -12.301 -6.381 1.00 0.00 C ATOM 1191 C THR A 75 -5.851 -11.871 -5.056 1.00 0.00 C ATOM 1192 O THR A 75 -6.516 -12.663 -4.393 1.00 0.00 O ATOM 1193 CB THR A 75 -6.403 -12.910 -7.224 1.00 0.00 C ATOM 1194 OG1 THR A 75 -5.845 -14.024 -7.987 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.957 -11.875 -8.185 1.00 0.00 C ATOM 0 H THR A 75 -4.754 -14.260 -6.179 1.00 0.00 H new ATOM 0 HA THR A 75 -4.845 -11.468 -6.924 1.00 0.00 H new ATOM 0 HB THR A 75 -7.208 -13.255 -6.575 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.500 -14.327 -8.650 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.751 -12.322 -8.783 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.358 -11.033 -7.621 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.161 -11.526 -8.842 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.550 -10.693 -4.634 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.973 -10.286 -3.349 1.00 0.00 C ATOM 1205 C TRP A 76 -7.254 -9.525 -3.439 1.00 0.00 C ATOM 1206 O TRP A 76 -7.729 -9.190 -4.544 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.882 -9.490 -2.616 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.650 -10.301 -2.304 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.535 -10.425 -3.076 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.409 -11.095 -1.128 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.626 -11.260 -2.472 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -2.134 -11.678 -1.272 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -4.145 -11.371 0.030 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.581 -12.516 -0.305 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.594 -12.199 0.989 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.325 -12.762 0.817 1.00 0.00 C ATOM 0 H TRP A 76 -5.016 -10.001 -5.159 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.156 -11.180 -2.753 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.598 -8.633 -3.226 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.293 -9.097 -1.686 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.386 -9.937 -4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.719 -11.525 -2.856 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.127 -10.944 0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.603 -12.954 -0.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.153 -12.415 1.887 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.924 -13.405 1.586 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.835 -9.311 -2.317 1.00 0.00 N ATOM 1228 CA GLY A 77 -9.050 -8.622 -2.227 1.00 0.00 C ATOM 1229 C GLY A 77 -9.504 -8.626 -0.820 1.00 0.00 C ATOM 1230 O GLY A 77 -8.702 -8.830 0.087 1.00 0.00 O ATOM 0 H GLY A 77 -7.463 -9.621 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.929 -7.598 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.798 -9.093 -2.865 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.758 -8.497 -0.625 1.00 0.00 N ATOM 1235 CA LEU A 78 -11.306 -8.376 0.696 1.00 0.00 C ATOM 1236 C LEU A 78 -12.321 -9.461 0.888 1.00 0.00 C ATOM 1237 O LEU A 78 -13.161 -9.678 0.031 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.970 -7.001 0.873 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.085 -5.773 0.601 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.875 -4.489 0.785 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.848 -5.776 1.494 1.00 0.00 C ATOM 0 H LEU A 78 -11.451 -8.470 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.511 -8.470 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.835 -6.952 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.345 -6.932 1.894 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.751 -5.826 -0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.229 -3.633 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.716 -4.477 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.247 -4.434 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.242 -4.896 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.154 -5.759 2.540 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.263 -6.675 1.302 1.00 0.00 H new ATOM 1253 N ARG A 79 -12.239 -10.174 1.978 1.00 0.00 N ATOM 1254 CA ARG A 79 -13.207 -11.232 2.225 1.00 0.00 C ATOM 1255 C ARG A 79 -14.541 -10.673 2.676 1.00 0.00 C ATOM 1256 O ARG A 79 -15.532 -11.379 2.747 1.00 0.00 O ATOM 1257 CB ARG A 79 -12.675 -12.283 3.173 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.357 -11.822 4.556 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.586 -12.901 5.235 1.00 0.00 C ATOM 1260 NE ARG A 79 -11.352 -12.640 6.630 1.00 0.00 N ATOM 1261 CZ ARG A 79 -10.157 -12.689 7.199 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -9.052 -12.575 6.460 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -10.067 -12.775 8.507 1.00 0.00 N ATOM 0 H ARG A 79 -11.531 -10.054 2.702 1.00 0.00 H new ATOM 0 HA ARG A 79 -13.379 -11.737 1.274 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -13.408 -13.087 3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.772 -12.711 2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.777 -10.900 4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.273 -11.605 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -12.126 -13.843 5.134 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.628 -13.027 4.730 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.153 -12.403 7.215 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.124 -12.449 5.450 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.135 -12.614 6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.913 -12.804 9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.151 -12.813 8.954 1.00 0.00 H new ATOM 1277 N SER A 80 -14.549 -9.381 2.901 1.00 0.00 N ATOM 1278 CA SER A 80 -15.692 -8.630 3.349 1.00 0.00 C ATOM 1279 C SER A 80 -16.748 -8.466 2.223 1.00 0.00 C ATOM 1280 O SER A 80 -17.708 -7.705 2.368 1.00 0.00 O ATOM 1281 CB SER A 80 -15.165 -7.275 3.773 1.00 0.00 C ATOM 1282 OG SER A 80 -13.935 -7.447 4.487 1.00 0.00 O ATOM 0 H SER A 80 -13.720 -8.801 2.770 1.00 0.00 H new ATOM 0 HA SER A 80 -16.192 -9.148 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.006 -6.644 2.898 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.896 -6.768 4.403 1.00 0.00 H new ATOM 0 HG SER A 80 -13.591 -6.571 4.761 1.00 0.00 H new ATOM 1288 N TRP A 81 -16.542 -9.150 1.098 1.00 0.00 N ATOM 1289 CA TRP A 81 -17.500 -9.136 0.010 1.00 0.00 C ATOM 1290 C TRP A 81 -18.372 -10.381 0.043 1.00 0.00 C ATOM 1291 O TRP A 81 -19.486 -10.381 -0.479 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.820 -9.105 -1.367 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.975 -7.913 -1.679 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -16.275 -6.601 -1.463 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.712 -7.933 -2.350 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -15.262 -5.805 -1.932 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -14.290 -6.596 -2.485 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.890 -8.960 -2.840 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -13.085 -6.253 -3.094 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.695 -8.617 -3.445 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -12.304 -7.274 -3.569 1.00 0.00 C ATOM 0 H TRP A 81 -15.715 -9.721 0.923 1.00 0.00 H new ATOM 0 HA TRP A 81 -18.093 -8.232 0.149 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -16.197 -9.995 -1.457 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -17.595 -9.180 -2.130 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -17.178 -6.241 -0.992 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -15.236 -4.787 -1.878 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.184 -9.995 -2.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.778 -5.222 -3.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -12.052 -9.395 -3.829 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.366 -7.040 -4.050 1.00 0.00 H new ATOM 1312 N TYR A 82 -17.888 -11.431 0.662 1.00 0.00 N ATOM 1313 CA TYR A 82 -18.552 -12.719 0.564 1.00 0.00 C ATOM 1314 C TYR A 82 -18.700 -13.346 1.946 1.00 0.00 C ATOM 1315 O TYR A 82 -18.161 -12.825 2.921 1.00 0.00 O ATOM 1316 CB TYR A 82 -17.712 -13.673 -0.317 1.00 0.00 C ATOM 1317 CG TYR A 82 -17.343 -13.157 -1.690 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -18.245 -13.203 -2.733 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -16.078 -12.636 -1.941 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -17.907 -12.744 -3.985 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -15.734 -12.178 -3.189 1.00 0.00 C ATOM 1322 CZ TYR A 82 -16.651 -12.234 -4.205 1.00 0.00 C ATOM 1323 OH TYR A 82 -16.312 -11.773 -5.454 1.00 0.00 O ATOM 0 H TYR A 82 -17.044 -11.425 1.235 1.00 0.00 H new ATOM 0 HA TYR A 82 -19.537 -12.565 0.123 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -16.793 -13.914 0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -18.265 -14.605 -0.437 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -19.233 -13.606 -2.564 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -15.354 -12.591 -1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -18.625 -12.784 -4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.748 -11.777 -3.368 1.00 0.00 H new ATOM 0 HH TYR A 82 -15.389 -11.444 -5.442 1.00 0.00 H new TER 1333 TYR A 82