USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= -0.164 K(o=-2.6,f=-7.5!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -2.41 K(o=-2.6,f=-4.9!) USER MOD Set 2.1: A 30 TYR OH : rot -55:sc= 0.0161 USER MOD Set 2.2: A 71 SER OG : rot -68:sc= 0.917 USER MOD Set 3.1: A 20 SER OG : rot -9:sc= 1.15 USER MOD Set 3.2: A 33 THR OG1 : rot 85:sc= 1.34 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 13 GLN : amide:sc= -0.0664 X(o=-0.066,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.08) USER MOD Single : A 15 HIS : no HE2:sc= -0.789 K(o=-0.79,f=-2.6) USER MOD Single : A 16 LYS NZ :NH3+ -155:sc= -0.0637 (180deg=-0.363) USER MOD Single : A 21 THR OG1 : rot 130:sc= 0 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -0.0199 F(o=-0.63,f=-0.02) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -160:sc= 0.506 (180deg=0.0169) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.543 X(o=-0.54,f=-0.18) USER MOD Single : A 55 THR OG1 : rot 42:sc= 2.1 USER MOD Single : A 57 ASN : amide:sc=-6.81e-05 X(o=-6.8e-05,f=-0.18) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= 1.19 (180deg=1.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -97:sc= 0.827 USER MOD Single : A 80 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 1.369 -7.904 -11.025 1.00 0.00 N ATOM 66 CA LYS A 5 1.965 -8.615 -9.907 1.00 0.00 C ATOM 67 C LYS A 5 0.903 -9.016 -8.875 1.00 0.00 C ATOM 68 O LYS A 5 0.810 -8.453 -7.791 1.00 0.00 O ATOM 69 CB LYS A 5 3.192 -7.873 -9.366 1.00 0.00 C ATOM 70 CG LYS A 5 4.237 -7.618 -10.463 1.00 0.00 C ATOM 71 CD LYS A 5 5.418 -6.826 -9.888 1.00 0.00 C ATOM 72 CE LYS A 5 6.589 -6.801 -10.882 1.00 0.00 C ATOM 73 NZ LYS A 5 7.720 -5.994 -10.380 1.00 0.00 N ATOM 0 HA LYS A 5 2.369 -9.568 -10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.880 -6.922 -8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.643 -8.455 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.588 -8.566 -10.870 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.785 -7.066 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.104 -5.807 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.741 -7.275 -8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.926 -7.820 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.248 -6.395 -11.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.490 -6.002 -11.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.405 -5.015 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.062 -6.396 -9.484 1.00 0.00 H new ATOM 87 N TYR A 6 0.055 -9.986 -9.209 1.00 0.00 N ATOM 88 CA TYR A 6 -0.917 -10.489 -8.245 1.00 0.00 C ATOM 89 C TYR A 6 -0.201 -11.166 -7.061 1.00 0.00 C ATOM 90 O TYR A 6 0.604 -12.069 -7.278 1.00 0.00 O ATOM 91 CB TYR A 6 -1.931 -11.412 -8.927 1.00 0.00 C ATOM 92 CG TYR A 6 -3.072 -10.670 -9.601 1.00 0.00 C ATOM 93 CD1 TYR A 6 -2.917 -10.114 -10.881 1.00 0.00 C ATOM 94 CD2 TYR A 6 -4.302 -10.532 -8.937 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.021 -9.535 -11.537 1.00 0.00 C ATOM 96 CE2 TYR A 6 -5.419 -10.010 -9.610 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.286 -9.534 -10.922 1.00 0.00 C ATOM 98 OH TYR A 6 -6.387 -9.138 -11.622 1.00 0.00 O ATOM 0 H TYR A 6 0.021 -10.433 -10.125 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.482 -9.650 -7.839 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.414 -12.019 -9.670 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.342 -12.097 -8.186 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.951 -10.130 -11.363 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.390 -10.829 -7.902 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.896 -9.091 -12.514 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.379 -9.975 -9.117 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.179 -9.199 -11.048 1.00 0.00 H new ATOM 108 N TYR A 7 -0.486 -10.733 -5.824 1.00 0.00 N ATOM 109 CA TYR A 7 0.090 -11.258 -4.586 1.00 0.00 C ATOM 110 C TYR A 7 -1.009 -11.665 -3.607 1.00 0.00 C ATOM 111 O TYR A 7 -2.131 -11.165 -3.682 1.00 0.00 O ATOM 112 CB TYR A 7 0.972 -10.196 -3.924 1.00 0.00 C ATOM 113 CG TYR A 7 2.218 -9.850 -4.704 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.261 -10.788 -4.797 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.353 -8.585 -5.302 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.421 -10.478 -5.525 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.517 -8.273 -6.021 1.00 0.00 C ATOM 118 CZ TYR A 7 4.536 -9.232 -6.161 1.00 0.00 C ATOM 119 OH TYR A 7 5.672 -8.919 -6.846 1.00 0.00 O ATOM 0 H TYR A 7 -1.151 -9.978 -5.657 1.00 0.00 H new ATOM 0 HA TYR A 7 0.688 -12.133 -4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.384 -9.290 -3.780 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.263 -10.547 -2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.170 -11.747 -4.309 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.563 -7.855 -5.208 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.224 -11.197 -5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.630 -7.296 -6.467 1.00 0.00 H new ATOM 0 HH TYR A 7 6.072 -9.737 -7.208 1.00 0.00 H new ATOM 129 N THR A 8 -0.682 -12.567 -2.677 1.00 0.00 N ATOM 130 CA THR A 8 -1.611 -13.110 -1.695 1.00 0.00 C ATOM 131 C THR A 8 -1.484 -12.367 -0.363 1.00 0.00 C ATOM 132 O THR A 8 -0.469 -11.723 -0.099 1.00 0.00 O ATOM 133 CB THR A 8 -1.304 -14.602 -1.487 1.00 0.00 C ATOM 134 OG1 THR A 8 0.014 -14.764 -1.000 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.470 -15.421 -2.769 1.00 0.00 C ATOM 0 H THR A 8 0.261 -12.946 -2.588 1.00 0.00 H new ATOM 0 HA THR A 8 -2.630 -12.986 -2.062 1.00 0.00 H new ATOM 0 HB THR A 8 -2.026 -14.973 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.200 -15.717 -0.869 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.241 -16.467 -2.565 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.497 -15.337 -3.124 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.790 -15.043 -3.533 1.00 0.00 H new ATOM 143 N LEU A 9 -2.498 -12.483 0.502 1.00 0.00 N ATOM 144 CA LEU A 9 -2.518 -11.804 1.783 1.00 0.00 C ATOM 145 C LEU A 9 -1.287 -12.170 2.609 1.00 0.00 C ATOM 146 O LEU A 9 -0.585 -11.272 3.058 1.00 0.00 O ATOM 147 CB LEU A 9 -3.805 -12.121 2.557 1.00 0.00 C ATOM 148 CG LEU A 9 -5.126 -11.628 1.938 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.088 -10.151 1.528 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.597 -12.500 0.771 1.00 0.00 C ATOM 0 H LEU A 9 -3.325 -13.054 0.324 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.496 -10.731 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.870 -13.202 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.716 -11.691 3.555 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.860 -11.722 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.049 -9.868 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.886 -9.535 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.302 -9.999 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.532 -12.104 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.841 -12.497 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.754 -13.521 1.120 1.00 0.00 H new ATOM 162 N GLU A 10 -1.006 -13.466 2.808 1.00 0.00 N ATOM 163 CA GLU A 10 0.126 -13.876 3.638 1.00 0.00 C ATOM 164 C GLU A 10 1.428 -13.276 3.097 1.00 0.00 C ATOM 165 O GLU A 10 2.250 -12.769 3.858 1.00 0.00 O ATOM 166 CB GLU A 10 0.236 -15.410 3.755 1.00 0.00 C ATOM 167 CG GLU A 10 0.691 -15.829 5.168 1.00 0.00 C ATOM 168 CD GLU A 10 1.755 -16.919 5.161 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.427 -18.048 4.747 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.893 -16.603 5.577 1.00 0.00 O ATOM 0 H GLU A 10 -1.542 -14.237 2.409 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.049 -13.492 4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.729 -15.865 3.531 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.944 -15.784 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.080 -14.955 5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.174 -16.179 5.732 1.00 0.00 H new ATOM 177 N GLU A 11 1.606 -13.328 1.773 1.00 0.00 N ATOM 178 CA GLU A 11 2.779 -12.786 1.110 1.00 0.00 C ATOM 179 C GLU A 11 2.904 -11.295 1.414 1.00 0.00 C ATOM 180 O GLU A 11 3.917 -10.838 1.935 1.00 0.00 O ATOM 181 CB GLU A 11 2.684 -13.071 -0.392 1.00 0.00 C ATOM 182 CG GLU A 11 3.993 -12.771 -1.134 1.00 0.00 C ATOM 183 CD GLU A 11 4.443 -13.978 -1.944 1.00 0.00 C ATOM 184 OE1 GLU A 11 3.638 -14.399 -2.802 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.558 -14.470 -1.666 1.00 0.00 O ATOM 0 H GLU A 11 0.932 -13.751 1.135 1.00 0.00 H new ATOM 0 HA GLU A 11 3.684 -13.265 1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.417 -14.117 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.882 -12.471 -0.822 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.854 -11.915 -1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.768 -12.498 -0.418 1.00 0.00 H new ATOM 192 N ILE A 12 1.851 -10.528 1.140 1.00 0.00 N ATOM 193 CA ILE A 12 1.857 -9.098 1.410 1.00 0.00 C ATOM 194 C ILE A 12 2.148 -8.867 2.907 1.00 0.00 C ATOM 195 O ILE A 12 2.963 -8.020 3.267 1.00 0.00 O ATOM 196 CB ILE A 12 0.541 -8.474 0.922 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.337 -8.743 -0.588 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.560 -6.961 1.183 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.139 -8.727 -0.997 1.00 0.00 C ATOM 0 H ILE A 12 0.984 -10.876 0.731 1.00 0.00 H new ATOM 0 HA ILE A 12 2.651 -8.594 0.858 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.285 -8.928 1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.877 -7.991 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.770 -9.711 -0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.375 -6.520 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.673 -6.777 2.251 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.395 -6.510 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.222 -8.921 -2.066 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.678 -9.497 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.569 -7.751 -0.771 1.00 0.00 H new ATOM 211 N GLN A 13 1.562 -9.687 3.781 1.00 0.00 N ATOM 212 CA GLN A 13 1.734 -9.630 5.227 1.00 0.00 C ATOM 213 C GLN A 13 3.136 -10.038 5.696 1.00 0.00 C ATOM 214 O GLN A 13 3.457 -9.861 6.871 1.00 0.00 O ATOM 215 CB GLN A 13 0.610 -10.437 5.893 1.00 0.00 C ATOM 216 CG GLN A 13 0.371 -10.044 7.358 1.00 0.00 C ATOM 217 CD GLN A 13 -1.119 -10.019 7.686 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.631 -10.914 8.349 1.00 0.00 O ATOM 219 NE2 GLN A 13 -1.815 -8.983 7.230 1.00 0.00 N ATOM 0 H GLN A 13 0.933 -10.434 3.487 1.00 0.00 H new ATOM 0 HA GLN A 13 1.654 -8.590 5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.313 -10.296 5.330 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.854 -11.498 5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.879 -10.751 8.014 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.805 -9.063 7.550 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.351 -8.259 6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.813 -8.912 7.428 1.00 0.00 H new ATOM 228 N LYS A 14 3.992 -10.532 4.796 1.00 0.00 N ATOM 229 CA LYS A 14 5.407 -10.752 5.056 1.00 0.00 C ATOM 230 C LYS A 14 6.223 -9.491 4.716 1.00 0.00 C ATOM 231 O LYS A 14 7.356 -9.354 5.175 1.00 0.00 O ATOM 232 CB LYS A 14 5.871 -12.018 4.311 1.00 0.00 C ATOM 233 CG LYS A 14 5.668 -13.297 5.150 1.00 0.00 C ATOM 234 CD LYS A 14 5.127 -14.468 4.308 1.00 0.00 C ATOM 235 CE LYS A 14 5.834 -15.810 4.557 1.00 0.00 C ATOM 236 NZ LYS A 14 5.487 -16.404 5.862 1.00 0.00 N ATOM 0 H LYS A 14 3.710 -10.793 3.851 1.00 0.00 H new ATOM 0 HA LYS A 14 5.577 -10.930 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.320 -12.109 3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.925 -11.919 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.616 -13.586 5.603 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.975 -13.088 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.064 -14.588 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.219 -14.213 3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.569 -16.508 3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.913 -15.663 4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.145 -17.180 6.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.556 -15.678 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.515 -16.773 5.828 1.00 0.00 H new ATOM 250 N HIS A 15 5.655 -8.511 3.999 1.00 0.00 N ATOM 251 CA HIS A 15 6.339 -7.265 3.653 1.00 0.00 C ATOM 252 C HIS A 15 6.109 -6.195 4.731 1.00 0.00 C ATOM 253 O HIS A 15 5.796 -5.041 4.432 1.00 0.00 O ATOM 254 CB HIS A 15 5.897 -6.794 2.260 1.00 0.00 C ATOM 255 CG HIS A 15 6.490 -7.572 1.114 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.125 -7.018 0.029 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.478 -8.931 0.936 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.471 -8.021 -0.796 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.109 -9.205 -0.281 1.00 0.00 N ATOM 0 H HIS A 15 4.701 -8.565 3.642 1.00 0.00 H new ATOM 0 HA HIS A 15 7.413 -7.445 3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.810 -6.855 2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.164 -5.744 2.145 1.00 0.00 H new ATOM 0 HD1 HIS A 15 7.302 -6.025 -0.123 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.057 -9.659 1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 15 7.972 -7.891 -1.744 1.00 0.00 H new ATOM 267 N LYS A 16 6.307 -6.584 5.994 1.00 0.00 N ATOM 268 CA LYS A 16 6.303 -5.689 7.154 1.00 0.00 C ATOM 269 C LYS A 16 7.559 -5.855 8.018 1.00 0.00 C ATOM 270 O LYS A 16 7.670 -5.212 9.060 1.00 0.00 O ATOM 271 CB LYS A 16 5.013 -5.880 7.965 1.00 0.00 C ATOM 272 CG LYS A 16 4.736 -7.319 8.428 1.00 0.00 C ATOM 273 CD LYS A 16 5.595 -7.747 9.631 1.00 0.00 C ATOM 274 CE LYS A 16 4.818 -8.702 10.547 1.00 0.00 C ATOM 275 NZ LYS A 16 3.702 -8.013 11.234 1.00 0.00 N ATOM 0 H LYS A 16 6.479 -7.558 6.244 1.00 0.00 H new ATOM 0 HA LYS A 16 6.325 -4.662 6.789 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.056 -5.235 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.171 -5.541 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.682 -7.412 8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.919 -8.002 7.598 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.504 -8.234 9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.903 -6.866 10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.427 -9.532 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.495 -9.127 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.475 -8.515 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.980 -7.035 11.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.866 -8.004 10.615 1.00 0.00 H new ATOM 334 N SER A 20 11.170 -2.906 2.919 1.00 0.00 N ATOM 335 CA SER A 20 10.267 -2.627 1.818 1.00 0.00 C ATOM 336 C SER A 20 8.827 -2.589 2.339 1.00 0.00 C ATOM 337 O SER A 20 8.144 -3.610 2.374 1.00 0.00 O ATOM 338 CB SER A 20 10.479 -3.644 0.683 1.00 0.00 C ATOM 339 OG SER A 20 10.230 -3.070 -0.585 1.00 0.00 O ATOM 0 HA SER A 20 10.480 -1.647 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.501 -4.021 0.718 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.819 -4.499 0.832 1.00 0.00 H new ATOM 0 HG SER A 20 9.827 -2.184 -0.470 1.00 0.00 H new ATOM 345 N THR A 21 8.378 -1.412 2.784 1.00 0.00 N ATOM 346 CA THR A 21 7.038 -1.194 3.298 1.00 0.00 C ATOM 347 C THR A 21 6.019 -1.223 2.153 1.00 0.00 C ATOM 348 O THR A 21 5.939 -0.296 1.344 1.00 0.00 O ATOM 349 CB THR A 21 7.039 0.120 4.092 1.00 0.00 C ATOM 350 OG1 THR A 21 7.691 -0.124 5.327 1.00 0.00 O ATOM 351 CG2 THR A 21 5.635 0.670 4.334 1.00 0.00 C ATOM 0 H THR A 21 8.955 -0.571 2.794 1.00 0.00 H new ATOM 0 HA THR A 21 6.737 -1.992 3.976 1.00 0.00 H new ATOM 0 HB THR A 21 7.562 0.879 3.510 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.376 0.561 5.476 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.701 1.599 4.900 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.149 0.861 3.377 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.051 -0.058 4.898 1.00 0.00 H new ATOM 359 N TRP A 22 5.241 -2.307 2.103 1.00 0.00 N ATOM 360 CA TRP A 22 4.143 -2.494 1.167 1.00 0.00 C ATOM 361 C TRP A 22 2.810 -2.254 1.848 1.00 0.00 C ATOM 362 O TRP A 22 2.709 -2.346 3.070 1.00 0.00 O ATOM 363 CB TRP A 22 4.163 -3.921 0.653 1.00 0.00 C ATOM 364 CG TRP A 22 5.167 -4.199 -0.409 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.278 -3.486 -0.706 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.079 -5.239 -1.409 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.864 -4.011 -1.835 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.181 -5.113 -2.300 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.152 -6.265 -1.651 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.363 -5.985 -3.378 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.344 -7.176 -2.702 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.459 -7.044 -3.553 1.00 0.00 C ATOM 0 H TRP A 22 5.366 -3.099 2.734 1.00 0.00 H new ATOM 0 HA TRP A 22 4.264 -1.784 0.349 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.352 -4.590 1.493 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.173 -4.165 0.267 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.646 -2.639 -0.146 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.702 -3.630 -2.274 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.280 -6.355 -1.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.185 -5.846 -4.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.637 -7.978 -2.858 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.619 -7.762 -4.344 1.00 0.00 H new ATOM 383 N VAL A 23 1.779 -1.999 1.046 1.00 0.00 N ATOM 384 CA VAL A 23 0.436 -1.754 1.533 1.00 0.00 C ATOM 385 C VAL A 23 -0.592 -2.138 0.462 1.00 0.00 C ATOM 386 O VAL A 23 -0.333 -2.026 -0.737 1.00 0.00 O ATOM 387 CB VAL A 23 0.281 -0.289 1.946 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.879 0.068 3.313 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.862 0.652 0.901 1.00 0.00 C ATOM 0 H VAL A 23 1.860 -1.958 0.030 1.00 0.00 H new ATOM 0 HA VAL A 23 0.258 -2.373 2.412 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.798 -0.158 2.027 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.719 1.127 3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.396 -0.527 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.948 -0.142 3.308 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.734 1.684 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.924 0.442 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.345 0.506 -0.048 1.00 0.00 H new ATOM 399 N ILE A 24 -1.765 -2.596 0.911 1.00 0.00 N ATOM 400 CA ILE A 24 -2.871 -3.017 0.069 1.00 0.00 C ATOM 401 C ILE A 24 -3.969 -1.977 0.203 1.00 0.00 C ATOM 402 O ILE A 24 -4.662 -1.933 1.217 1.00 0.00 O ATOM 403 CB ILE A 24 -3.326 -4.442 0.413 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.761 -4.675 1.865 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.169 -5.394 0.138 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.142 -5.327 1.937 1.00 0.00 C ATOM 0 H ILE A 24 -1.970 -2.684 1.906 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.568 -3.071 -0.977 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.207 -4.615 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.031 -5.310 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.778 -3.724 2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.472 -6.413 0.376 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.891 -5.335 -0.914 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.315 -5.116 0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.419 -5.478 2.980 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.876 -4.680 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.117 -6.289 1.425 1.00 0.00 H new ATOM 418 N LEU A 25 -4.056 -1.065 -0.767 1.00 0.00 N ATOM 419 CA LEU A 25 -5.036 0.000 -0.714 1.00 0.00 C ATOM 420 C LEU A 25 -6.155 -0.403 -1.662 1.00 0.00 C ATOM 421 O LEU A 25 -6.061 -0.193 -2.868 1.00 0.00 O ATOM 422 CB LEU A 25 -4.423 1.370 -1.027 1.00 0.00 C ATOM 423 CG LEU A 25 -3.139 1.703 -0.245 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.057 3.210 -0.061 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.063 1.166 1.185 1.00 0.00 C ATOM 0 H LEU A 25 -3.458 -1.050 -1.593 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.433 0.124 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.203 1.418 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.166 2.140 -0.820 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.348 1.244 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.152 3.460 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.032 3.695 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.929 3.557 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.116 1.463 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.887 1.574 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.132 0.078 1.169 1.00 0.00 H new ATOM 437 N HIS A 26 -7.213 -0.999 -1.114 1.00 0.00 N ATOM 438 CA HIS A 26 -8.317 -1.544 -1.885 1.00 0.00 C ATOM 439 C HIS A 26 -7.803 -2.689 -2.774 1.00 0.00 C ATOM 440 O HIS A 26 -6.795 -3.323 -2.464 1.00 0.00 O ATOM 441 CB HIS A 26 -9.044 -0.425 -2.663 1.00 0.00 C ATOM 442 CG HIS A 26 -9.399 0.794 -1.840 1.00 0.00 C ATOM 443 ND1 HIS A 26 -8.542 1.775 -1.408 1.00 0.00 N flip ATOM 444 CD2 HIS A 26 -10.673 1.186 -1.491 1.00 0.00 C flip ATOM 445 CE1 HIS A 26 -9.296 2.758 -0.771 1.00 0.00 C flip ATOM 446 NE2 HIS A 26 -10.577 2.361 -0.846 1.00 0.00 N flip ATOM 0 H HIS A 26 -7.324 -1.116 -0.107 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.068 -1.972 -1.221 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.414 -0.113 -3.496 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.958 -0.835 -3.092 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.585 0.646 -1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.924 3.660 -0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -11.368 2.880 -0.466 1.00 0.00 H new ATOM 454 N HIS A 27 -8.490 -2.978 -3.882 1.00 0.00 N ATOM 455 CA HIS A 27 -8.159 -4.090 -4.769 1.00 0.00 C ATOM 456 C HIS A 27 -6.975 -3.734 -5.669 1.00 0.00 C ATOM 457 O HIS A 27 -7.124 -3.724 -6.889 1.00 0.00 O ATOM 458 CB HIS A 27 -9.396 -4.455 -5.604 1.00 0.00 C ATOM 459 CG HIS A 27 -10.637 -4.664 -4.776 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.751 -5.483 -3.675 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.794 -3.938 -4.877 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.955 -5.248 -3.128 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.629 -4.319 -3.825 1.00 0.00 N ATOM 0 H HIS A 27 -9.300 -2.439 -4.189 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.865 -4.953 -4.171 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.582 -3.663 -6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.188 -5.363 -6.169 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -12.020 -3.202 -5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.331 -5.741 -2.244 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.564 -3.963 -3.626 1.00 0.00 H new ATOM 471 N LYS A 28 -5.816 -3.440 -5.072 1.00 0.00 N ATOM 472 CA LYS A 28 -4.563 -3.123 -5.745 1.00 0.00 C ATOM 473 C LYS A 28 -3.465 -2.991 -4.687 1.00 0.00 C ATOM 474 O LYS A 28 -3.714 -2.454 -3.606 1.00 0.00 O ATOM 475 CB LYS A 28 -4.713 -1.871 -6.630 1.00 0.00 C ATOM 476 CG LYS A 28 -4.788 -2.255 -8.119 1.00 0.00 C ATOM 477 CD LYS A 28 -5.489 -1.195 -8.985 1.00 0.00 C ATOM 478 CE LYS A 28 -6.880 -1.640 -9.462 1.00 0.00 C ATOM 479 NZ LYS A 28 -6.828 -2.830 -10.340 1.00 0.00 N ATOM 0 H LYS A 28 -5.727 -3.417 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.281 -3.925 -6.426 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.613 -1.326 -6.345 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.869 -1.201 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.778 -2.414 -8.498 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.318 -3.203 -8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.584 -0.271 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.867 -0.972 -9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.504 -1.860 -8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.356 -0.819 -9.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.705 -2.890 -10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.015 -2.751 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.728 -3.686 -9.758 1.00 0.00 H new ATOM 493 N VAL A 29 -2.275 -3.531 -4.977 1.00 0.00 N ATOM 494 CA VAL A 29 -1.155 -3.527 -4.044 1.00 0.00 C ATOM 495 C VAL A 29 -0.158 -2.467 -4.499 1.00 0.00 C ATOM 496 O VAL A 29 0.161 -2.364 -5.692 1.00 0.00 O ATOM 497 CB VAL A 29 -0.510 -4.920 -3.897 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.474 -4.947 -2.712 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.582 -5.993 -3.690 1.00 0.00 C ATOM 0 H VAL A 29 -2.067 -3.982 -5.868 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.515 -3.277 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 29 0.036 -5.130 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.916 -5.940 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.262 -4.212 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.059 -4.709 -1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.106 -6.968 -3.589 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.150 -5.771 -2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.255 -6.005 -4.547 1.00 0.00 H new ATOM 509 N TYR A 30 0.294 -1.664 -3.536 1.00 0.00 N ATOM 510 CA TYR A 30 1.162 -0.525 -3.742 1.00 0.00 C ATOM 511 C TYR A 30 2.429 -0.736 -2.919 1.00 0.00 C ATOM 512 O TYR A 30 2.368 -1.269 -1.806 1.00 0.00 O ATOM 513 CB TYR A 30 0.417 0.747 -3.324 1.00 0.00 C ATOM 514 CG TYR A 30 -0.837 1.011 -4.135 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.739 1.697 -5.354 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.075 0.468 -3.745 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.870 1.850 -6.173 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.213 0.660 -4.550 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.117 1.381 -5.748 1.00 0.00 C ATOM 520 OH TYR A 30 -4.220 1.618 -6.513 1.00 0.00 O ATOM 0 H TYR A 30 0.051 -1.802 -2.555 1.00 0.00 H new ATOM 0 HA TYR A 30 1.443 -0.420 -4.790 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.149 0.671 -2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.089 1.600 -3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.210 2.109 -5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.152 -0.096 -2.827 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.776 2.332 -7.135 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.164 0.250 -4.244 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.299 2.580 -6.684 1.00 0.00 H new ATOM 530 N ASP A 31 3.568 -0.323 -3.478 1.00 0.00 N ATOM 531 CA ASP A 31 4.840 -0.304 -2.774 1.00 0.00 C ATOM 532 C ASP A 31 5.161 1.158 -2.519 1.00 0.00 C ATOM 533 O ASP A 31 5.153 1.959 -3.452 1.00 0.00 O ATOM 534 CB ASP A 31 5.932 -0.981 -3.607 1.00 0.00 C ATOM 535 CG ASP A 31 7.258 -1.069 -2.873 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.494 -0.206 -2.004 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.012 -2.028 -3.145 1.00 0.00 O ATOM 0 H ASP A 31 3.628 0.009 -4.440 1.00 0.00 H new ATOM 0 HA ASP A 31 4.786 -0.857 -1.836 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.605 -1.984 -3.880 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.071 -0.427 -4.535 1.00 0.00 H new ATOM 542 N LEU A 32 5.395 1.508 -1.254 1.00 0.00 N ATOM 543 CA LEU A 32 5.688 2.873 -0.861 1.00 0.00 C ATOM 544 C LEU A 32 7.055 2.933 -0.177 1.00 0.00 C ATOM 545 O LEU A 32 7.363 3.907 0.504 1.00 0.00 O ATOM 546 CB LEU A 32 4.542 3.386 0.019 1.00 0.00 C ATOM 547 CG LEU A 32 3.157 3.170 -0.628 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.096 3.554 0.385 1.00 0.00 C ATOM 549 CD2 LEU A 32 2.861 3.942 -1.929 1.00 0.00 C ATOM 0 H LEU A 32 5.385 0.847 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 32 5.753 3.529 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.573 2.877 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.686 4.449 0.215 1.00 0.00 H new ATOM 0 HG LEU A 32 3.151 2.118 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.107 3.409 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.197 2.929 1.272 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.220 4.601 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.857 3.699 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.931 5.013 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.586 3.660 -2.692 1.00 0.00 H new ATOM 561 N THR A 33 7.903 1.926 -0.406 1.00 0.00 N ATOM 562 CA THR A 33 9.243 1.813 0.149 1.00 0.00 C ATOM 563 C THR A 33 10.055 3.082 -0.105 1.00 0.00 C ATOM 564 O THR A 33 10.622 3.644 0.826 1.00 0.00 O ATOM 565 CB THR A 33 9.911 0.563 -0.439 1.00 0.00 C ATOM 566 OG1 THR A 33 9.144 -0.561 -0.061 1.00 0.00 O ATOM 567 CG2 THR A 33 11.352 0.388 0.044 1.00 0.00 C ATOM 0 H THR A 33 7.659 1.139 -1.008 1.00 0.00 H new ATOM 0 HA THR A 33 9.190 1.704 1.232 1.00 0.00 H new ATOM 0 HB THR A 33 9.952 0.670 -1.523 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.409 -0.685 -0.698 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.778 -0.511 -0.401 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.943 1.255 -0.252 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.363 0.295 1.130 1.00 0.00 H new ATOM 575 N LYS A 34 10.095 3.547 -1.358 1.00 0.00 N ATOM 576 CA LYS A 34 10.756 4.794 -1.719 1.00 0.00 C ATOM 577 C LYS A 34 9.764 5.956 -1.778 1.00 0.00 C ATOM 578 O LYS A 34 10.012 6.942 -2.467 1.00 0.00 O ATOM 579 CB LYS A 34 11.479 4.615 -3.055 1.00 0.00 C ATOM 580 CG LYS A 34 12.643 3.630 -2.926 1.00 0.00 C ATOM 581 CD LYS A 34 13.593 3.846 -4.109 1.00 0.00 C ATOM 582 CE LYS A 34 14.745 2.837 -4.076 1.00 0.00 C ATOM 583 NZ LYS A 34 15.553 2.888 -5.312 1.00 0.00 N ATOM 0 H LYS A 34 9.667 3.064 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 34 11.486 5.041 -0.949 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.776 4.255 -3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.851 5.579 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.169 3.786 -1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.273 2.605 -2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.043 3.746 -5.045 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.992 4.860 -4.080 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.383 3.041 -3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.344 1.832 -3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.323 2.191 -5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.950 2.669 -6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.956 3.840 -5.424 1.00 0.00 H new ATOM 597 N PHE A 35 8.643 5.844 -1.065 1.00 0.00 N ATOM 598 CA PHE A 35 7.662 6.906 -0.932 1.00 0.00 C ATOM 599 C PHE A 35 7.454 7.273 0.540 1.00 0.00 C ATOM 600 O PHE A 35 6.688 8.181 0.831 1.00 0.00 O ATOM 601 CB PHE A 35 6.369 6.469 -1.619 1.00 0.00 C ATOM 602 CG PHE A 35 5.273 7.512 -1.703 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.519 8.768 -2.284 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.006 7.233 -1.162 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.497 9.731 -2.344 1.00 0.00 C ATOM 606 CE2 PHE A 35 2.978 8.180 -1.246 1.00 0.00 C ATOM 607 CZ PHE A 35 3.223 9.435 -1.826 1.00 0.00 C ATOM 0 H PHE A 35 8.393 4.996 -0.557 1.00 0.00 H new ATOM 0 HA PHE A 35 8.019 7.812 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.611 6.144 -2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.976 5.600 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.496 8.994 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.825 6.284 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.689 10.697 -2.787 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.995 7.945 -0.864 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.435 10.172 -1.874 1.00 0.00 H new ATOM 617 N LEU A 36 8.132 6.601 1.476 1.00 0.00 N ATOM 618 CA LEU A 36 7.974 6.848 2.898 1.00 0.00 C ATOM 619 C LEU A 36 8.214 8.328 3.231 1.00 0.00 C ATOM 620 O LEU A 36 7.276 9.043 3.577 1.00 0.00 O ATOM 621 CB LEU A 36 8.902 5.908 3.679 1.00 0.00 C ATOM 622 CG LEU A 36 8.466 4.436 3.742 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.439 3.656 4.636 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.037 4.268 4.273 1.00 0.00 C ATOM 0 H LEU A 36 8.807 5.868 1.259 1.00 0.00 H new ATOM 0 HA LEU A 36 6.948 6.635 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.895 5.954 3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.994 6.284 4.698 1.00 0.00 H new ATOM 0 HG LEU A 36 8.482 4.046 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.132 2.611 4.683 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.445 3.721 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.432 4.081 5.640 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.780 3.209 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.972 4.680 5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.342 4.796 3.620 1.00 0.00 H new ATOM 636 N GLU A 37 9.453 8.811 3.124 1.00 0.00 N ATOM 637 CA GLU A 37 9.779 10.200 3.377 1.00 0.00 C ATOM 638 C GLU A 37 9.106 11.138 2.362 1.00 0.00 C ATOM 639 O GLU A 37 8.630 12.210 2.730 1.00 0.00 O ATOM 640 CB GLU A 37 11.307 10.358 3.429 1.00 0.00 C ATOM 641 CG GLU A 37 12.116 9.717 2.282 1.00 0.00 C ATOM 642 CD GLU A 37 12.624 8.315 2.603 1.00 0.00 C ATOM 643 OE1 GLU A 37 11.758 7.454 2.857 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.859 8.124 2.577 1.00 0.00 O ATOM 0 H GLU A 37 10.256 8.241 2.858 1.00 0.00 H new ATOM 0 HA GLU A 37 9.378 10.497 4.346 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.537 11.423 3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.660 9.935 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.492 9.673 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.966 10.357 2.046 1.00 0.00 H new ATOM 651 N GLU A 38 9.074 10.735 1.090 1.00 0.00 N ATOM 652 CA GLU A 38 8.504 11.506 -0.014 1.00 0.00 C ATOM 653 C GLU A 38 7.016 11.823 0.200 1.00 0.00 C ATOM 654 O GLU A 38 6.555 12.898 -0.178 1.00 0.00 O ATOM 655 CB GLU A 38 8.730 10.735 -1.326 1.00 0.00 C ATOM 656 CG GLU A 38 9.932 11.246 -2.133 1.00 0.00 C ATOM 657 CD GLU A 38 9.503 12.290 -3.157 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.118 11.862 -4.267 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.550 13.487 -2.808 1.00 0.00 O ATOM 0 H GLU A 38 9.455 9.837 0.792 1.00 0.00 H new ATOM 0 HA GLU A 38 9.010 12.470 -0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.877 9.679 -1.098 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.832 10.806 -1.940 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.670 11.677 -1.457 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.414 10.411 -2.641 1.00 0.00 H new ATOM 666 N HIS A 39 6.247 10.888 0.765 1.00 0.00 N ATOM 667 CA HIS A 39 4.813 11.040 0.968 1.00 0.00 C ATOM 668 C HIS A 39 4.489 12.355 1.686 1.00 0.00 C ATOM 669 O HIS A 39 4.893 12.519 2.840 1.00 0.00 O ATOM 670 CB HIS A 39 4.281 9.835 1.746 1.00 0.00 C ATOM 671 CG HIS A 39 2.867 9.955 2.259 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.511 9.832 3.579 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.711 9.932 1.524 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.176 9.743 3.638 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.636 9.792 2.407 1.00 0.00 N ATOM 0 H HIS A 39 6.612 9.995 1.097 1.00 0.00 H new ATOM 0 HA HIS A 39 4.320 11.080 -0.003 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.341 8.957 1.103 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.941 9.654 2.595 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.150 9.812 4.374 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.642 10.009 0.449 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.609 9.645 4.552 1.00 0.00 H new ATOM 683 N PRO A 40 3.744 13.277 1.042 1.00 0.00 N ATOM 684 CA PRO A 40 3.374 14.559 1.621 1.00 0.00 C ATOM 685 C PRO A 40 2.365 14.331 2.745 1.00 0.00 C ATOM 686 O PRO A 40 1.163 14.515 2.578 1.00 0.00 O ATOM 687 CB PRO A 40 2.813 15.404 0.473 1.00 0.00 C ATOM 688 CG PRO A 40 2.342 14.379 -0.552 1.00 0.00 C ATOM 689 CD PRO A 40 3.204 13.145 -0.303 1.00 0.00 C ATOM 0 HA PRO A 40 4.218 15.082 2.071 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.992 16.037 0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.574 16.064 0.056 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.283 14.153 -0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.469 14.751 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.612 12.234 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.007 13.079 -1.038 1.00 0.00 H new ATOM 697 N GLY A 41 2.880 13.895 3.889 1.00 0.00 N ATOM 698 CA GLY A 41 2.103 13.417 5.011 1.00 0.00 C ATOM 699 C GLY A 41 3.020 12.718 6.006 1.00 0.00 C ATOM 700 O GLY A 41 2.827 12.868 7.211 1.00 0.00 O ATOM 0 H GLY A 41 3.885 13.866 4.060 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.593 14.250 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.332 12.728 4.665 1.00 0.00 H new ATOM 704 N GLY A 42 4.031 11.979 5.522 1.00 0.00 N ATOM 705 CA GLY A 42 4.981 11.329 6.408 1.00 0.00 C ATOM 706 C GLY A 42 5.290 9.893 6.082 1.00 0.00 C ATOM 707 O GLY A 42 4.526 9.243 5.377 1.00 0.00 O ATOM 0 H GLY A 42 4.202 11.824 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.912 11.896 6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.594 11.378 7.426 1.00 0.00 H new ATOM 711 N GLU A 43 6.343 9.381 6.719 1.00 0.00 N ATOM 712 CA GLU A 43 6.707 7.983 6.657 1.00 0.00 C ATOM 713 C GLU A 43 5.896 7.187 7.698 1.00 0.00 C ATOM 714 O GLU A 43 5.316 6.156 7.368 1.00 0.00 O ATOM 715 CB GLU A 43 8.225 7.888 6.943 1.00 0.00 C ATOM 716 CG GLU A 43 8.790 6.479 7.208 1.00 0.00 C ATOM 717 CD GLU A 43 9.060 6.183 8.680 1.00 0.00 C ATOM 718 OE1 GLU A 43 9.985 6.824 9.221 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.369 5.299 9.224 1.00 0.00 O ATOM 0 H GLU A 43 6.969 9.941 7.298 1.00 0.00 H new ATOM 0 HA GLU A 43 6.487 7.561 5.677 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.759 8.315 6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.449 8.513 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.088 5.739 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.718 6.360 6.648 1.00 0.00 H new ATOM 726 N GLU A 44 5.849 7.653 8.956 1.00 0.00 N ATOM 727 CA GLU A 44 5.329 6.881 10.087 1.00 0.00 C ATOM 728 C GLU A 44 3.952 6.301 9.782 1.00 0.00 C ATOM 729 O GLU A 44 3.776 5.087 9.805 1.00 0.00 O ATOM 730 CB GLU A 44 5.318 7.739 11.360 1.00 0.00 C ATOM 731 CG GLU A 44 4.799 6.961 12.584 1.00 0.00 C ATOM 732 CD GLU A 44 3.496 7.553 13.114 1.00 0.00 C ATOM 733 OE1 GLU A 44 2.558 7.676 12.297 1.00 0.00 O ATOM 734 OE2 GLU A 44 3.480 7.918 14.309 1.00 0.00 O ATOM 0 H GLU A 44 6.174 8.584 9.215 1.00 0.00 H new ATOM 0 HA GLU A 44 5.995 6.035 10.258 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.327 8.099 11.562 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.693 8.617 11.198 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.641 5.917 12.312 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.553 6.975 13.371 1.00 0.00 H new ATOM 741 N VAL A 45 2.988 7.152 9.426 1.00 0.00 N ATOM 742 CA VAL A 45 1.641 6.748 9.125 1.00 0.00 C ATOM 743 C VAL A 45 1.607 5.645 8.052 1.00 0.00 C ATOM 744 O VAL A 45 0.758 4.761 8.102 1.00 0.00 O ATOM 745 CB VAL A 45 0.864 8.033 8.796 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.405 8.786 7.567 1.00 0.00 C ATOM 747 CG2 VAL A 45 -0.597 7.755 8.611 1.00 0.00 C ATOM 0 H VAL A 45 3.139 8.157 9.341 1.00 0.00 H new ATOM 0 HA VAL A 45 1.149 6.266 9.970 1.00 0.00 H new ATOM 0 HB VAL A 45 1.008 8.682 9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.807 9.681 7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.443 9.070 7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.349 8.140 6.691 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.118 8.684 8.380 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.732 7.049 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.005 7.329 9.527 1.00 0.00 H new ATOM 757 N LEU A 46 2.565 5.636 7.119 1.00 0.00 N ATOM 758 CA LEU A 46 2.707 4.550 6.154 1.00 0.00 C ATOM 759 C LEU A 46 3.304 3.309 6.807 1.00 0.00 C ATOM 760 O LEU A 46 2.816 2.199 6.595 1.00 0.00 O ATOM 761 CB LEU A 46 3.574 4.992 4.969 1.00 0.00 C ATOM 762 CG LEU A 46 2.839 6.040 4.139 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.835 6.786 3.247 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.864 5.350 3.207 1.00 0.00 C ATOM 0 H LEU A 46 3.257 6.378 7.015 1.00 0.00 H new ATOM 0 HA LEU A 46 1.712 4.298 5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.517 5.401 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.818 4.131 4.347 1.00 0.00 H new ATOM 0 HG LEU A 46 2.330 6.722 4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.305 7.533 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.583 7.278 3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.327 6.078 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.338 6.097 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.408 4.677 2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.144 4.779 3.792 1.00 0.00 H new ATOM 776 N ARG A 47 4.374 3.490 7.580 1.00 0.00 N ATOM 777 CA ARG A 47 5.064 2.382 8.221 1.00 0.00 C ATOM 778 C ARG A 47 4.269 1.763 9.376 1.00 0.00 C ATOM 779 O ARG A 47 4.624 0.688 9.852 1.00 0.00 O ATOM 780 CB ARG A 47 6.484 2.799 8.641 1.00 0.00 C ATOM 781 CG ARG A 47 7.461 1.709 8.190 1.00 0.00 C ATOM 782 CD ARG A 47 8.751 1.642 9.010 1.00 0.00 C ATOM 783 NE ARG A 47 9.484 0.410 8.665 1.00 0.00 N ATOM 784 CZ ARG A 47 10.546 -0.076 9.327 1.00 0.00 C ATOM 785 NH1 ARG A 47 11.109 0.657 10.293 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.034 -1.286 9.022 1.00 0.00 N ATOM 0 H ARG A 47 4.781 4.404 7.776 1.00 0.00 H new ATOM 0 HA ARG A 47 5.153 1.587 7.481 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.748 3.755 8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.536 2.932 9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.959 0.743 8.244 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.717 1.877 7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.370 2.516 8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.520 1.655 10.075 1.00 0.00 H new ATOM 0 HE ARG A 47 9.157 -0.117 7.855 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.731 1.577 10.521 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.916 0.297 10.802 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.598 -1.841 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.841 -1.652 9.527 1.00 0.00 H new ATOM 800 N GLU A 48 3.206 2.440 9.815 1.00 0.00 N ATOM 801 CA GLU A 48 2.383 2.078 10.960 1.00 0.00 C ATOM 802 C GLU A 48 1.858 0.649 10.856 1.00 0.00 C ATOM 803 O GLU A 48 2.106 -0.187 11.722 1.00 0.00 O ATOM 804 CB GLU A 48 1.239 3.102 11.115 1.00 0.00 C ATOM 805 CG GLU A 48 1.257 3.767 12.494 1.00 0.00 C ATOM 806 CD GLU A 48 0.954 2.768 13.602 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.041 2.026 13.431 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.725 2.746 14.585 1.00 0.00 O ATOM 0 H GLU A 48 2.885 3.293 9.358 1.00 0.00 H new ATOM 0 HA GLU A 48 3.002 2.107 11.857 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.327 3.865 10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.281 2.604 10.964 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.234 4.219 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.524 4.573 12.519 1.00 0.00 H new ATOM 815 N GLN A 49 1.123 0.373 9.779 1.00 0.00 N ATOM 816 CA GLN A 49 0.628 -0.958 9.502 1.00 0.00 C ATOM 817 C GLN A 49 1.670 -1.670 8.652 1.00 0.00 C ATOM 818 O GLN A 49 2.367 -2.557 9.139 1.00 0.00 O ATOM 819 CB GLN A 49 -0.757 -0.860 8.844 1.00 0.00 C ATOM 820 CG GLN A 49 -1.821 -0.384 9.846 1.00 0.00 C ATOM 821 CD GLN A 49 -2.146 -1.440 10.902 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.053 -2.245 10.732 1.00 0.00 O ATOM 823 NE2 GLN A 49 -1.417 -1.449 12.015 1.00 0.00 N ATOM 0 H GLN A 49 0.859 1.069 9.082 1.00 0.00 H new ATOM 0 HA GLN A 49 0.485 -1.546 10.409 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.713 -0.170 8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.041 -1.833 8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.471 0.523 10.339 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.731 -0.122 9.307 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.666 -0.770 12.138 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.609 -2.135 12.745 1.00 0.00 H new ATOM 832 N ALA A 50 1.794 -1.239 7.394 1.00 0.00 N ATOM 833 CA ALA A 50 2.630 -1.876 6.387 1.00 0.00 C ATOM 834 C ALA A 50 2.356 -3.382 6.221 1.00 0.00 C ATOM 835 O ALA A 50 1.605 -4.007 6.966 1.00 0.00 O ATOM 836 CB ALA A 50 4.101 -1.578 6.679 1.00 0.00 C ATOM 0 H ALA A 50 1.302 -0.417 7.044 1.00 0.00 H new ATOM 0 HA ALA A 50 2.368 -1.445 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.726 -2.056 5.924 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.265 -0.501 6.657 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.362 -1.965 7.664 1.00 0.00 H new ATOM 842 N GLY A 51 2.937 -3.971 5.176 1.00 0.00 N ATOM 843 CA GLY A 51 2.652 -5.334 4.757 1.00 0.00 C ATOM 844 C GLY A 51 1.156 -5.543 4.540 1.00 0.00 C ATOM 845 O GLY A 51 0.624 -6.615 4.810 1.00 0.00 O ATOM 0 H GLY A 51 3.629 -3.503 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.190 -5.554 3.835 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.014 -6.032 5.512 1.00 0.00 H new ATOM 849 N GLY A 52 0.469 -4.516 4.044 1.00 0.00 N ATOM 850 CA GLY A 52 -0.956 -4.538 3.863 1.00 0.00 C ATOM 851 C GLY A 52 -1.631 -3.607 4.856 1.00 0.00 C ATOM 852 O GLY A 52 -1.029 -2.662 5.365 1.00 0.00 O ATOM 0 H GLY A 52 0.905 -3.640 3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.204 -4.236 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.330 -5.553 3.995 1.00 0.00 H new ATOM 856 N ASP A 53 -2.909 -3.902 5.058 1.00 0.00 N ATOM 857 CA ASP A 53 -3.801 -3.407 6.093 1.00 0.00 C ATOM 858 C ASP A 53 -3.732 -1.894 6.279 1.00 0.00 C ATOM 859 O ASP A 53 -3.774 -1.393 7.400 1.00 0.00 O ATOM 860 CB ASP A 53 -3.570 -4.195 7.396 1.00 0.00 C ATOM 861 CG ASP A 53 -3.478 -5.703 7.177 1.00 0.00 C ATOM 862 OD1 ASP A 53 -4.135 -6.192 6.231 1.00 0.00 O ATOM 863 OD2 ASP A 53 -2.708 -6.345 7.923 1.00 0.00 O ATOM 0 H ASP A 53 -3.390 -4.556 4.441 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.827 -3.584 5.769 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.651 -3.846 7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.384 -3.984 8.090 1.00 0.00 H new ATOM 868 N ALA A 54 -3.647 -1.153 5.169 1.00 0.00 N ATOM 869 CA ALA A 54 -3.584 0.293 5.193 1.00 0.00 C ATOM 870 C ALA A 54 -4.767 0.895 4.438 1.00 0.00 C ATOM 871 O ALA A 54 -4.819 2.113 4.296 1.00 0.00 O ATOM 872 CB ALA A 54 -2.249 0.708 4.587 1.00 0.00 C ATOM 0 H ALA A 54 -3.621 -1.551 4.230 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.649 0.667 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.170 1.795 4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.435 0.283 5.175 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.186 0.343 3.562 1.00 0.00 H new ATOM 878 N THR A 55 -5.719 0.081 3.962 1.00 0.00 N ATOM 879 CA THR A 55 -6.918 0.598 3.314 1.00 0.00 C ATOM 880 C THR A 55 -7.684 1.464 4.309 1.00 0.00 C ATOM 881 O THR A 55 -7.910 2.642 4.052 1.00 0.00 O ATOM 882 CB THR A 55 -7.803 -0.536 2.774 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.160 -1.184 1.698 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.126 0.014 2.231 1.00 0.00 C ATOM 0 H THR A 55 -5.676 -0.937 4.017 1.00 0.00 H new ATOM 0 HA THR A 55 -6.624 1.202 2.456 1.00 0.00 H new ATOM 0 HB THR A 55 -7.984 -1.224 3.600 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.209 -1.298 1.906 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.735 -0.808 1.855 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.662 0.526 3.030 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.924 0.716 1.422 1.00 0.00 H new ATOM 892 N GLU A 56 -8.068 0.884 5.444 1.00 0.00 N ATOM 893 CA GLU A 56 -8.829 1.541 6.487 1.00 0.00 C ATOM 894 C GLU A 56 -8.163 2.869 6.844 1.00 0.00 C ATOM 895 O GLU A 56 -8.802 3.914 6.845 1.00 0.00 O ATOM 896 CB GLU A 56 -8.943 0.603 7.700 1.00 0.00 C ATOM 897 CG GLU A 56 -9.634 -0.731 7.352 1.00 0.00 C ATOM 898 CD GLU A 56 -8.675 -1.873 7.013 1.00 0.00 C ATOM 899 OE1 GLU A 56 -7.835 -1.676 6.104 1.00 0.00 O ATOM 900 OE2 GLU A 56 -8.811 -2.932 7.660 1.00 0.00 O ATOM 0 H GLU A 56 -7.848 -0.087 5.663 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.839 1.762 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.947 0.401 8.094 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.503 1.103 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.256 -1.034 8.194 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.301 -0.570 6.505 1.00 0.00 H new ATOM 907 N ASN A 57 -6.855 2.820 7.085 1.00 0.00 N ATOM 908 CA ASN A 57 -6.044 3.979 7.435 1.00 0.00 C ATOM 909 C ASN A 57 -6.044 5.024 6.303 1.00 0.00 C ATOM 910 O ASN A 57 -6.227 6.214 6.533 1.00 0.00 O ATOM 911 CB ASN A 57 -4.625 3.483 7.769 1.00 0.00 C ATOM 912 CG ASN A 57 -4.115 3.979 9.121 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.350 5.115 9.513 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.399 3.122 9.847 1.00 0.00 N ATOM 0 H ASN A 57 -6.319 1.953 7.041 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.463 4.483 8.306 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.618 2.393 7.763 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.940 3.811 6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.031 3.406 10.755 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.219 2.182 9.495 1.00 0.00 H new ATOM 921 N PHE A 58 -5.845 4.578 5.061 1.00 0.00 N ATOM 922 CA PHE A 58 -5.857 5.418 3.865 1.00 0.00 C ATOM 923 C PHE A 58 -7.214 6.096 3.647 1.00 0.00 C ATOM 924 O PHE A 58 -7.271 7.245 3.205 1.00 0.00 O ATOM 925 CB PHE A 58 -5.497 4.551 2.654 1.00 0.00 C ATOM 926 CG PHE A 58 -5.575 5.244 1.309 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.505 6.040 0.872 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.683 5.046 0.467 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.545 6.666 -0.384 1.00 0.00 C ATOM 930 CE2 PHE A 58 -6.731 5.676 -0.789 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.666 6.492 -1.212 1.00 0.00 C ATOM 0 H PHE A 58 -5.666 3.595 4.855 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.124 6.214 3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.484 4.171 2.789 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.162 3.687 2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.642 6.172 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.497 4.411 0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.718 7.278 -0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.588 5.533 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.710 6.984 -2.172 1.00 0.00 H new ATOM 941 N GLU A 59 -8.297 5.370 3.929 1.00 0.00 N ATOM 942 CA GLU A 59 -9.665 5.851 3.806 1.00 0.00 C ATOM 943 C GLU A 59 -10.038 6.728 5.002 1.00 0.00 C ATOM 944 O GLU A 59 -10.815 7.663 4.837 1.00 0.00 O ATOM 945 CB GLU A 59 -10.628 4.668 3.629 1.00 0.00 C ATOM 946 CG GLU A 59 -10.777 4.282 2.145 1.00 0.00 C ATOM 947 CD GLU A 59 -11.625 5.271 1.341 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.531 5.879 1.948 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.380 5.376 0.120 1.00 0.00 O ATOM 0 H GLU A 59 -8.240 4.406 4.258 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.747 6.475 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.262 3.811 4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.604 4.927 4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.787 4.213 1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.227 3.291 2.078 1.00 0.00 H new ATOM 956 N ASP A 60 -9.452 6.494 6.181 1.00 0.00 N ATOM 957 CA ASP A 60 -9.636 7.347 7.354 1.00 0.00 C ATOM 958 C ASP A 60 -9.375 8.813 6.984 1.00 0.00 C ATOM 959 O ASP A 60 -10.230 9.677 7.168 1.00 0.00 O ATOM 960 CB ASP A 60 -8.716 6.877 8.488 1.00 0.00 C ATOM 961 CG ASP A 60 -9.083 7.526 9.812 1.00 0.00 C ATOM 962 OD1 ASP A 60 -8.770 8.726 9.961 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.655 6.805 10.658 1.00 0.00 O ATOM 0 H ASP A 60 -8.833 5.701 6.347 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.666 7.272 7.704 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.780 5.793 8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.682 7.115 8.240 1.00 0.00 H new ATOM 968 N VAL A 61 -8.214 9.071 6.369 1.00 0.00 N ATOM 969 CA VAL A 61 -7.892 10.386 5.815 1.00 0.00 C ATOM 970 C VAL A 61 -8.649 10.696 4.520 1.00 0.00 C ATOM 971 O VAL A 61 -8.702 11.855 4.109 1.00 0.00 O ATOM 972 CB VAL A 61 -6.376 10.578 5.632 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.704 10.932 6.960 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.666 9.375 5.029 1.00 0.00 C ATOM 0 H VAL A 61 -7.477 8.377 6.243 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.234 11.109 6.555 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.281 11.400 4.922 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.633 11.062 6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.129 11.858 7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.870 10.128 7.677 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.602 9.591 4.933 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.804 8.509 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.083 9.162 4.045 1.00 0.00 H new ATOM 984 N GLY A 62 -9.205 9.693 3.842 1.00 0.00 N ATOM 985 CA GLY A 62 -9.961 9.861 2.610 1.00 0.00 C ATOM 986 C GLY A 62 -9.034 10.057 1.413 1.00 0.00 C ATOM 987 O GLY A 62 -9.120 9.315 0.437 1.00 0.00 O ATOM 0 H GLY A 62 -9.139 8.721 4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.591 8.987 2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.625 10.720 2.703 1.00 0.00 H new ATOM 991 N HIS A 63 -8.158 11.064 1.501 1.00 0.00 N ATOM 992 CA HIS A 63 -7.298 11.564 0.436 1.00 0.00 C ATOM 993 C HIS A 63 -8.105 12.242 -0.677 1.00 0.00 C ATOM 994 O HIS A 63 -9.290 11.978 -0.877 1.00 0.00 O ATOM 995 CB HIS A 63 -6.380 10.478 -0.143 1.00 0.00 C ATOM 996 CG HIS A 63 -5.291 9.995 0.776 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.395 9.005 1.724 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.976 10.371 0.709 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.162 8.818 2.228 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.250 9.610 1.630 1.00 0.00 N ATOM 0 H HIS A 63 -8.027 11.579 2.372 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.657 12.316 0.896 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.993 9.624 -0.432 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.920 10.863 -1.053 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.244 8.508 1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.568 11.128 0.055 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.931 8.118 3.017 1.00 0.00 H new ATOM 1008 N SER A 64 -7.448 13.133 -1.424 1.00 0.00 N ATOM 1009 CA SER A 64 -8.008 13.721 -2.630 1.00 0.00 C ATOM 1010 C SER A 64 -7.977 12.693 -3.766 1.00 0.00 C ATOM 1011 O SER A 64 -7.272 11.687 -3.690 1.00 0.00 O ATOM 1012 CB SER A 64 -7.196 14.966 -3.006 1.00 0.00 C ATOM 1013 OG SER A 64 -6.939 15.741 -1.850 1.00 0.00 O ATOM 0 H SER A 64 -6.509 13.464 -1.203 1.00 0.00 H new ATOM 0 HA SER A 64 -9.044 14.013 -2.456 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.256 14.671 -3.473 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.743 15.560 -3.738 1.00 0.00 H new ATOM 0 HG SER A 64 -6.419 16.534 -2.097 1.00 0.00 H new ATOM 1019 N THR A 65 -8.700 12.965 -4.854 1.00 0.00 N ATOM 1020 CA THR A 65 -8.649 12.111 -6.035 1.00 0.00 C ATOM 1021 C THR A 65 -7.222 12.014 -6.583 1.00 0.00 C ATOM 1022 O THR A 65 -6.795 10.928 -6.965 1.00 0.00 O ATOM 1023 CB THR A 65 -9.698 12.563 -7.060 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.969 12.216 -6.534 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.572 11.865 -8.416 1.00 0.00 C ATOM 0 H THR A 65 -9.324 13.767 -4.939 1.00 0.00 H new ATOM 0 HA THR A 65 -8.916 11.089 -5.765 1.00 0.00 H new ATOM 0 HB THR A 65 -9.558 13.632 -7.224 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.669 12.491 -7.162 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.346 12.235 -9.089 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.591 12.073 -8.842 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.690 10.789 -8.284 1.00 0.00 H new ATOM 1033 N ASP A 66 -6.470 13.115 -6.574 1.00 0.00 N ATOM 1034 CA ASP A 66 -5.077 13.188 -6.995 1.00 0.00 C ATOM 1035 C ASP A 66 -4.271 12.005 -6.461 1.00 0.00 C ATOM 1036 O ASP A 66 -3.679 11.256 -7.231 1.00 0.00 O ATOM 1037 CB ASP A 66 -4.471 14.516 -6.520 1.00 0.00 C ATOM 1038 CG ASP A 66 -5.292 15.716 -6.973 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -6.480 15.748 -6.571 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -4.725 16.558 -7.701 1.00 0.00 O ATOM 0 H ASP A 66 -6.833 14.015 -6.260 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.038 13.141 -8.083 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.403 14.514 -5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.455 14.608 -6.903 1.00 0.00 H new ATOM 1045 N ALA A 67 -4.282 11.803 -5.141 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.614 10.686 -4.483 1.00 0.00 C ATOM 1047 C ALA A 67 -4.024 9.334 -5.090 1.00 0.00 C ATOM 1048 O ALA A 67 -3.195 8.434 -5.166 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.970 10.696 -3.000 1.00 0.00 C ATOM 0 H ALA A 67 -4.765 12.424 -4.492 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.540 10.806 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.474 9.863 -2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.641 11.634 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.049 10.597 -2.884 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.285 9.165 -5.514 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.749 7.929 -6.149 1.00 0.00 C ATOM 1057 C ARG A 68 -5.107 7.720 -7.521 1.00 0.00 C ATOM 1058 O ARG A 68 -4.928 6.582 -7.951 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.276 7.884 -6.307 1.00 0.00 C ATOM 1060 CG ARG A 68 -8.004 8.069 -4.975 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.471 7.622 -5.062 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.268 8.494 -5.941 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.568 8.310 -6.225 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -12.193 7.209 -5.788 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -12.235 9.227 -6.939 1.00 0.00 N ATOM 0 H ARG A 68 -6.007 9.880 -5.426 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.444 7.126 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.590 8.663 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.565 6.930 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.495 7.497 -4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.960 9.117 -4.679 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.515 6.598 -5.432 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.908 7.619 -4.063 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.800 9.295 -6.364 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.682 6.515 -5.242 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -13.180 7.064 -6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.756 10.065 -7.267 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.222 9.087 -7.154 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.790 8.804 -8.228 1.00 0.00 N ATOM 1080 CA GLU A 69 -4.061 8.708 -9.482 1.00 0.00 C ATOM 1081 C GLU A 69 -2.573 8.506 -9.184 1.00 0.00 C ATOM 1082 O GLU A 69 -1.897 7.703 -9.824 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.334 9.950 -10.342 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.769 9.941 -10.889 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.935 8.928 -12.014 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -5.651 9.297 -13.170 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.324 7.782 -11.697 1.00 0.00 O ATOM 0 H GLU A 69 -5.028 9.756 -7.950 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.400 7.847 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.174 10.850 -9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.626 9.985 -11.170 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.465 9.707 -10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.026 10.936 -11.254 1.00 0.00 H new ATOM 1094 N LEU A 70 -2.063 9.205 -8.172 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.687 9.076 -7.736 1.00 0.00 C ATOM 1096 C LEU A 70 -0.405 7.638 -7.293 1.00 0.00 C ATOM 1097 O LEU A 70 0.644 7.088 -7.614 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.389 10.098 -6.628 1.00 0.00 C ATOM 1099 CG LEU A 70 1.069 10.567 -6.706 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.238 11.617 -7.814 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.512 11.168 -5.367 1.00 0.00 C ATOM 0 H LEU A 70 -2.603 9.881 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.017 9.293 -8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.058 10.953 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.582 9.652 -5.652 1.00 0.00 H new ATOM 0 HG LEU A 70 1.690 9.701 -6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.279 11.938 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.954 11.183 -8.773 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.601 12.476 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.549 11.495 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.878 12.021 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.424 10.415 -4.583 1.00 0.00 H new ATOM 1113 N SER A 71 -1.349 7.004 -6.588 1.00 0.00 N ATOM 1114 CA SER A 71 -1.223 5.617 -6.169 1.00 0.00 C ATOM 1115 C SER A 71 -0.861 4.748 -7.366 1.00 0.00 C ATOM 1116 O SER A 71 0.044 3.929 -7.282 1.00 0.00 O ATOM 1117 CB SER A 71 -2.491 5.120 -5.457 1.00 0.00 C ATOM 1118 OG SER A 71 -3.513 4.754 -6.363 1.00 0.00 O ATOM 0 H SER A 71 -2.221 7.445 -6.295 1.00 0.00 H new ATOM 0 HA SER A 71 -0.417 5.546 -5.439 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.240 4.263 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.861 5.902 -4.793 1.00 0.00 H new ATOM 0 HG SER A 71 -3.852 5.555 -6.815 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.532 4.953 -8.500 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.274 4.225 -9.733 1.00 0.00 C ATOM 1126 C LYS A 72 0.218 4.255 -10.091 1.00 0.00 C ATOM 1127 O LYS A 72 0.801 3.227 -10.414 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.175 4.774 -10.849 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.052 3.690 -11.500 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.361 4.300 -12.022 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.401 4.384 -10.891 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.542 5.245 -11.254 1.00 0.00 N ATOM 0 H LYS A 72 -2.280 5.641 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.524 3.173 -9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.816 5.555 -10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.554 5.239 -11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.510 3.220 -12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.273 2.908 -10.774 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.171 5.295 -12.425 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.751 3.694 -12.840 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.762 3.383 -10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.926 4.772 -9.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.344 5.043 -10.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.268 6.244 -11.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.820 5.056 -12.238 1.00 0.00 H new ATOM 1146 N THR A 73 0.864 5.415 -9.970 1.00 0.00 N ATOM 1147 CA THR A 73 2.301 5.542 -10.170 1.00 0.00 C ATOM 1148 C THR A 73 3.126 4.701 -9.172 1.00 0.00 C ATOM 1149 O THR A 73 4.242 4.299 -9.492 1.00 0.00 O ATOM 1150 CB THR A 73 2.651 7.040 -10.172 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.206 7.610 -11.387 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.138 7.318 -10.002 1.00 0.00 C ATOM 0 H THR A 73 0.402 6.292 -9.730 1.00 0.00 H new ATOM 0 HA THR A 73 2.579 5.120 -11.136 1.00 0.00 H new ATOM 0 HB THR A 73 2.151 7.487 -9.313 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.422 8.566 -11.399 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.311 8.394 -10.013 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.479 6.905 -9.052 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.691 6.854 -10.819 1.00 0.00 H new ATOM 1160 N TYR A 74 2.591 4.409 -7.982 1.00 0.00 N ATOM 1161 CA TYR A 74 3.223 3.581 -6.952 1.00 0.00 C ATOM 1162 C TYR A 74 2.727 2.131 -6.981 1.00 0.00 C ATOM 1163 O TYR A 74 3.057 1.330 -6.102 1.00 0.00 O ATOM 1164 CB TYR A 74 2.931 4.192 -5.578 1.00 0.00 C ATOM 1165 CG TYR A 74 3.662 5.493 -5.329 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.063 5.483 -5.218 1.00 0.00 C ATOM 1167 CD2 TYR A 74 2.968 6.715 -5.329 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.776 6.693 -5.228 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.679 7.926 -5.285 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.084 7.913 -5.282 1.00 0.00 C ATOM 1171 OH TYR A 74 5.785 9.079 -5.340 1.00 0.00 O ATOM 0 H TYR A 74 1.674 4.755 -7.701 1.00 0.00 H new ATOM 0 HA TYR A 74 4.295 3.560 -7.150 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.859 4.364 -5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.207 3.475 -4.804 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.591 4.545 -5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.889 6.723 -5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.855 6.685 -5.194 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.147 8.865 -5.254 1.00 0.00 H new ATOM 0 HH TYR A 74 5.859 9.461 -4.441 1.00 0.00 H new ATOM 1181 N ILE A 75 1.890 1.792 -7.959 1.00 0.00 N ATOM 1182 CA ILE A 75 1.284 0.478 -8.028 1.00 0.00 C ATOM 1183 C ILE A 75 2.336 -0.549 -8.404 1.00 0.00 C ATOM 1184 O ILE A 75 3.202 -0.282 -9.235 1.00 0.00 O ATOM 1185 CB ILE A 75 0.088 0.501 -8.985 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.008 -0.461 -8.511 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.444 0.198 -10.449 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.327 -0.099 -9.189 1.00 0.00 C ATOM 0 H ILE A 75 1.619 2.419 -8.716 1.00 0.00 H new ATOM 0 HA ILE A 75 0.893 0.188 -7.053 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.276 1.528 -8.962 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.734 -1.489 -8.750 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.115 -0.403 -7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.459 0.235 -11.058 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.156 0.939 -10.811 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.888 -0.795 -10.517 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.108 -0.782 -8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.602 0.923 -8.928 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.214 -0.180 -10.270 1.00 0.00 H new ATOM 1200 N ILE A 76 2.249 -1.728 -7.793 1.00 0.00 N ATOM 1201 CA ILE A 76 3.138 -2.830 -8.115 1.00 0.00 C ATOM 1202 C ILE A 76 2.348 -3.979 -8.728 1.00 0.00 C ATOM 1203 O ILE A 76 2.826 -4.616 -9.664 1.00 0.00 O ATOM 1204 CB ILE A 76 3.969 -3.225 -6.884 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.085 -3.491 -5.652 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.963 -2.090 -6.598 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.863 -4.025 -4.451 1.00 0.00 C ATOM 0 H ILE A 76 1.565 -1.941 -7.067 1.00 0.00 H new ATOM 0 HA ILE A 76 3.859 -2.522 -8.872 1.00 0.00 H new ATOM 0 HB ILE A 76 4.497 -4.155 -7.094 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.583 -2.566 -5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.308 -4.207 -5.919 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.566 -2.346 -5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.613 -1.950 -7.461 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.416 -1.168 -6.402 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.179 -4.190 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.344 -4.966 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.623 -3.300 -4.158 1.00 0.00 H new ATOM 1219 N GLY A 77 1.142 -4.245 -8.225 1.00 0.00 N ATOM 1220 CA GLY A 77 0.408 -5.433 -8.608 1.00 0.00 C ATOM 1221 C GLY A 77 -0.985 -5.424 -7.985 1.00 0.00 C ATOM 1222 O GLY A 77 -1.493 -4.355 -7.636 1.00 0.00 O ATOM 0 H GLY A 77 0.660 -3.649 -7.552 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.327 -5.483 -9.694 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.951 -6.322 -8.287 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.597 -6.604 -7.838 1.00 0.00 N ATOM 1227 CA GLU A 78 -2.963 -6.733 -7.339 1.00 0.00 C ATOM 1228 C GLU A 78 -3.084 -7.785 -6.245 1.00 0.00 C ATOM 1229 O GLU A 78 -2.126 -8.473 -5.908 1.00 0.00 O ATOM 1230 CB GLU A 78 -3.974 -6.992 -8.474 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.965 -5.827 -8.571 1.00 0.00 C ATOM 1232 CD GLU A 78 -6.270 -6.165 -9.278 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.907 -7.165 -8.889 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -6.646 -5.344 -10.145 1.00 0.00 O ATOM 0 H GLU A 78 -1.155 -7.495 -8.063 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.213 -5.772 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.447 -7.112 -9.421 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.511 -7.922 -8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.192 -5.475 -7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.485 -5.001 -9.096 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.279 -7.860 -5.666 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.634 -8.814 -4.635 1.00 0.00 C ATOM 1243 C LEU A 79 -5.149 -10.077 -5.323 1.00 0.00 C ATOM 1244 O LEU A 79 -6.015 -9.986 -6.192 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.679 -8.145 -3.735 1.00 0.00 C ATOM 1246 CG LEU A 79 -6.471 -9.086 -2.821 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.578 -10.029 -2.005 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -7.315 -8.224 -1.873 1.00 0.00 C ATOM 0 H LEU A 79 -5.047 -7.236 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.791 -9.106 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.175 -7.404 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.384 -7.605 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.094 -9.723 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.200 -10.668 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.988 -10.647 -2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.910 -9.442 -1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.890 -8.870 -1.209 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.659 -7.586 -1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.996 -7.603 -2.455 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.586 -11.236 -4.964 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.889 -12.546 -5.525 1.00 0.00 C ATOM 1262 C HIS A 80 -6.387 -12.716 -5.832 1.00 0.00 C ATOM 1263 O HIS A 80 -7.224 -12.442 -4.966 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.400 -13.615 -4.540 1.00 0.00 C ATOM 1265 CG HIS A 80 -4.137 -14.955 -5.168 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.721 -16.148 -4.816 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.174 -15.224 -6.105 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.155 -17.110 -5.565 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.210 -16.595 -6.367 1.00 0.00 N ATOM 0 H HIS A 80 -3.872 -11.282 -4.237 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.374 -12.652 -6.480 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.485 -13.263 -4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.144 -13.735 -3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.508 -14.505 -6.559 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.424 -18.155 -5.527 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.632 -17.104 -7.036 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.746 -13.182 -7.041 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.133 -13.239 -7.468 1.00 0.00 C ATOM 1279 C PRO A 81 -8.968 -14.137 -6.551 1.00 0.00 C ATOM 1280 O PRO A 81 -10.154 -13.881 -6.361 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.119 -13.696 -8.929 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.766 -14.387 -9.105 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.868 -13.728 -8.063 1.00 0.00 C ATOM 0 HA PRO A 81 -8.616 -12.264 -7.397 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.943 -14.378 -9.139 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.224 -12.851 -9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.844 -15.462 -8.941 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.376 -14.246 -10.113 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.177 -14.453 -7.633 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.264 -12.941 -8.515 1.00 0.00 H new