USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 582 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 60 ASN : amide:sc= 0.179 K(o=0.92,f=-0.8) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.737 K(o=0.92,f=-0.26) USER MOD Set 2.1: A 7 THR OG1 : rot 145:sc= 1.55 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl -178:sc= -0.76 (180deg=-0.768) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.935 X(o=-0.94,f=-0.93) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -122:sc= 1.13 (180deg=-0.137) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.953 K(o=0.95,f=-1.7!) USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.23 (180deg=0.984) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.093) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= 0.499 (180deg=0.346) USER MOD Single : A 40 GLN : amide:sc= 1.08 K(o=1.1,f=-1.7!) USER MOD Single : A 41 ASN : amide:sc= -0.675 X(o=-0.68,f=-0.33) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.029 K(o=-0.029,f=-4!) USER MOD Single : A 55 THR OG1 : rot -45:sc= 1.29 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -179:sc= 1 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -90:sc= 1.34 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.074 -4.787 0.213 1.00 0.00 N ATOM 2 CA MET A 1 13.930 -4.091 0.826 1.00 0.00 C ATOM 3 C MET A 1 12.651 -4.835 0.512 1.00 0.00 C ATOM 4 O MET A 1 12.323 -5.052 -0.652 1.00 0.00 O ATOM 5 CB MET A 1 13.864 -2.608 0.438 1.00 0.00 C ATOM 6 CG MET A 1 12.565 -1.946 0.923 1.00 0.00 C ATOM 7 SD MET A 1 12.614 -0.135 0.948 1.00 0.00 S ATOM 8 CE MET A 1 10.923 0.237 1.469 1.00 0.00 C ATOM 0 H1 MET A 1 15.951 -4.272 0.431 1.00 0.00 H new ATOM 0 H2 MET A 1 15.136 -5.753 0.592 1.00 0.00 H new ATOM 0 H3 MET A 1 14.944 -4.827 -0.818 1.00 0.00 H new ATOM 0 HA MET A 1 14.068 -4.094 1.907 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.720 -2.083 0.863 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.938 -2.513 -0.645 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.746 -2.267 0.280 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.341 -2.305 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.781 1.317 1.498 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.219 -0.203 0.762 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.748 -0.179 2.461 1.00 0.00 H new ATOM 18 N GLN A 2 12.027 -5.366 1.559 1.00 0.00 N ATOM 19 CA GLN A 2 10.771 -6.081 1.507 1.00 0.00 C ATOM 20 C GLN A 2 9.813 -5.339 2.443 1.00 0.00 C ATOM 21 O GLN A 2 10.243 -4.875 3.498 1.00 0.00 O ATOM 22 CB GLN A 2 11.017 -7.533 1.946 1.00 0.00 C ATOM 23 CG GLN A 2 9.725 -8.357 1.921 1.00 0.00 C ATOM 24 CD GLN A 2 9.967 -9.811 2.313 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.166 -10.669 1.460 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.887 -10.131 3.592 1.00 0.00 N ATOM 0 H GLN A 2 12.405 -5.303 2.504 1.00 0.00 H new ATOM 0 HA GLN A 2 10.339 -6.118 0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.755 -7.992 1.288 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.436 -7.543 2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.999 -7.914 2.603 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.290 -8.318 0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.721 -9.406 4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.991 -11.103 3.882 1.00 0.00 H new ATOM 35 N ILE A 3 8.521 -5.258 2.136 1.00 0.00 N ATOM 36 CA ILE A 3 7.527 -4.613 2.992 1.00 0.00 C ATOM 37 C ILE A 3 6.335 -5.554 3.099 1.00 0.00 C ATOM 38 O ILE A 3 6.201 -6.505 2.316 1.00 0.00 O ATOM 39 CB ILE A 3 7.135 -3.187 2.523 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.419 -3.190 1.151 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.354 -2.246 2.581 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.925 -1.809 0.703 1.00 0.00 C ATOM 0 H ILE A 3 8.129 -5.643 1.276 1.00 0.00 H new ATOM 0 HA ILE A 3 7.956 -4.444 3.979 1.00 0.00 H new ATOM 0 HB ILE A 3 6.395 -2.792 3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.101 -3.583 0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.569 -3.871 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.061 -1.250 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.724 -2.193 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.140 -2.629 1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.435 -1.895 -0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.216 -1.421 1.435 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.772 -1.128 0.622 1.00 0.00 H new ATOM 54 N PHE A 4 5.429 -5.245 4.016 1.00 0.00 N ATOM 55 CA PHE A 4 4.223 -5.994 4.276 1.00 0.00 C ATOM 56 C PHE A 4 3.026 -5.061 4.203 1.00 0.00 C ATOM 57 O PHE A 4 3.144 -3.866 4.473 1.00 0.00 O ATOM 58 CB PHE A 4 4.279 -6.633 5.667 1.00 0.00 C ATOM 59 CG PHE A 4 5.476 -7.512 5.965 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.593 -8.779 5.364 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.431 -7.094 6.913 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.650 -9.632 5.721 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.475 -7.958 7.283 1.00 0.00 C ATOM 64 CZ PHE A 4 7.580 -9.231 6.696 1.00 0.00 C ATOM 0 H PHE A 4 5.525 -4.429 4.621 1.00 0.00 H new ATOM 0 HA PHE A 4 4.130 -6.781 3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.250 -5.835 6.409 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.377 -7.229 5.804 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.869 -9.096 4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.360 -6.111 7.354 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.748 -10.597 5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.199 -7.643 8.020 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.374 -9.900 6.994 1.00 0.00 H new ATOM 74 N VAL A 5 1.863 -5.597 3.854 1.00 0.00 N ATOM 75 CA VAL A 5 0.626 -4.836 3.780 1.00 0.00 C ATOM 76 C VAL A 5 -0.466 -5.724 4.375 1.00 0.00 C ATOM 77 O VAL A 5 -0.542 -6.899 4.023 1.00 0.00 O ATOM 78 CB VAL A 5 0.315 -4.381 2.336 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.835 -3.373 2.369 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.485 -3.697 1.606 1.00 0.00 C ATOM 0 H VAL A 5 1.753 -6.582 3.612 1.00 0.00 H new ATOM 0 HA VAL A 5 0.701 -3.908 4.346 1.00 0.00 H new ATOM 0 HB VAL A 5 0.078 -5.295 1.792 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.062 -3.046 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.717 -3.842 2.805 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.547 -2.512 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.171 -3.414 0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.786 -2.806 2.157 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.327 -4.386 1.542 1.00 0.00 H new ATOM 90 N LYS A 6 -1.281 -5.205 5.292 1.00 0.00 N ATOM 91 CA LYS A 6 -2.377 -5.938 5.915 1.00 0.00 C ATOM 92 C LYS A 6 -3.652 -5.540 5.176 1.00 0.00 C ATOM 93 O LYS A 6 -3.969 -4.350 5.087 1.00 0.00 O ATOM 94 CB LYS A 6 -2.434 -5.696 7.434 1.00 0.00 C ATOM 95 CG LYS A 6 -3.277 -6.780 8.131 1.00 0.00 C ATOM 96 CD LYS A 6 -2.580 -8.153 8.227 1.00 0.00 C ATOM 97 CE LYS A 6 -1.959 -8.428 9.597 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.963 -8.857 10.593 1.00 0.00 N ATOM 0 H LYS A 6 -1.195 -4.246 5.627 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.236 -7.015 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.424 -5.695 7.844 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.861 -4.713 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.528 -6.440 9.136 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.216 -6.898 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.304 -8.936 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.802 -8.210 7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.195 -9.200 9.499 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.458 -7.528 9.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.495 -9.031 11.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.678 -8.111 10.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.423 -9.731 10.268 1.00 0.00 H new ATOM 112 N THR A 7 -4.309 -6.501 4.536 1.00 0.00 N ATOM 113 CA THR A 7 -5.528 -6.283 3.769 1.00 0.00 C ATOM 114 C THR A 7 -6.744 -6.055 4.669 1.00 0.00 C ATOM 115 O THR A 7 -6.694 -6.270 5.883 1.00 0.00 O ATOM 116 CB THR A 7 -5.794 -7.529 2.903 1.00 0.00 C ATOM 117 OG1 THR A 7 -6.069 -8.633 3.729 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.636 -7.883 1.973 1.00 0.00 C ATOM 0 H THR A 7 -4.002 -7.474 4.537 1.00 0.00 H new ATOM 0 HA THR A 7 -5.384 -5.391 3.160 1.00 0.00 H new ATOM 0 HB THR A 7 -6.650 -7.287 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.741 -9.203 3.300 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.893 -8.770 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.445 -7.050 1.296 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.742 -8.082 2.564 1.00 0.00 H new ATOM 126 N LEU A 8 -7.869 -5.665 4.058 1.00 0.00 N ATOM 127 CA LEU A 8 -9.128 -5.466 4.779 1.00 0.00 C ATOM 128 C LEU A 8 -9.755 -6.828 5.134 1.00 0.00 C ATOM 129 O LEU A 8 -10.754 -6.873 5.843 1.00 0.00 O ATOM 130 CB LEU A 8 -10.111 -4.572 3.996 1.00 0.00 C ATOM 131 CG LEU A 8 -10.980 -5.237 2.903 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.862 -4.161 2.266 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.202 -5.910 1.765 1.00 0.00 C ATOM 0 H LEU A 8 -7.931 -5.480 3.057 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.906 -4.936 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.781 -4.101 4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.536 -3.774 3.527 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.537 -6.022 3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.483 -4.611 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.500 -3.715 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.232 -3.390 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.903 -6.345 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.583 -5.169 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.566 -6.695 2.174 1.00 0.00 H new ATOM 145 N THR A 9 -9.192 -7.931 4.625 1.00 0.00 N ATOM 146 CA THR A 9 -9.633 -9.299 4.858 1.00 0.00 C ATOM 147 C THR A 9 -8.853 -9.944 6.017 1.00 0.00 C ATOM 148 O THR A 9 -9.251 -11.007 6.501 1.00 0.00 O ATOM 149 CB THR A 9 -9.514 -10.094 3.540 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.297 -9.832 2.859 1.00 0.00 O ATOM 151 CG2 THR A 9 -10.653 -9.705 2.592 1.00 0.00 C ATOM 0 H THR A 9 -8.379 -7.884 4.011 1.00 0.00 H new ATOM 0 HA THR A 9 -10.679 -9.305 5.165 1.00 0.00 H new ATOM 0 HB THR A 9 -9.555 -11.149 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.265 -10.357 2.032 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.563 -10.270 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.610 -9.930 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 9 -10.597 -8.638 2.375 1.00 0.00 H new ATOM 159 N GLY A 10 -7.751 -9.326 6.460 1.00 0.00 N ATOM 160 CA GLY A 10 -6.892 -9.761 7.554 1.00 0.00 C ATOM 161 C GLY A 10 -5.653 -10.521 7.091 1.00 0.00 C ATOM 162 O GLY A 10 -4.907 -11.018 7.934 1.00 0.00 O ATOM 0 H GLY A 10 -7.421 -8.459 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.580 -8.889 8.129 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.468 -10.397 8.227 1.00 0.00 H new ATOM 166 N LYS A 11 -5.411 -10.604 5.779 1.00 0.00 N ATOM 167 CA LYS A 11 -4.245 -11.288 5.238 1.00 0.00 C ATOM 168 C LYS A 11 -3.064 -10.334 5.311 1.00 0.00 C ATOM 169 O LYS A 11 -3.238 -9.113 5.382 1.00 0.00 O ATOM 170 CB LYS A 11 -4.498 -11.670 3.760 1.00 0.00 C ATOM 171 CG LYS A 11 -5.230 -13.006 3.575 1.00 0.00 C ATOM 172 CD LYS A 11 -4.282 -14.215 3.629 1.00 0.00 C ATOM 173 CE LYS A 11 -3.249 -14.287 2.495 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.848 -14.367 1.149 1.00 0.00 N ATOM 0 H LYS A 11 -6.020 -10.198 5.068 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.045 -12.195 5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.081 -10.880 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.542 -11.717 3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.989 -13.110 4.350 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.751 -13.001 2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.752 -14.199 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.880 -15.126 3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.606 -13.408 2.545 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.612 -15.157 2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.517 -15.230 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -4.884 -14.393 1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.566 -13.534 0.593 1.00 0.00 H new ATOM 188 N THR A 12 -1.867 -10.879 5.156 1.00 0.00 N ATOM 189 CA THR A 12 -0.618 -10.147 5.163 1.00 0.00 C ATOM 190 C THR A 12 -0.011 -10.431 3.796 1.00 0.00 C ATOM 191 O THR A 12 0.034 -11.583 3.356 1.00 0.00 O ATOM 192 CB THR A 12 0.296 -10.597 6.322 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.424 -10.804 7.530 1.00 0.00 O ATOM 194 CG2 THR A 12 1.376 -9.542 6.581 1.00 0.00 C ATOM 0 H THR A 12 -1.738 -11.881 5.017 1.00 0.00 H new ATOM 0 HA THR A 12 -0.757 -9.079 5.328 1.00 0.00 H new ATOM 0 HB THR A 12 0.743 -11.544 6.018 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.194 -11.089 8.235 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.015 -9.870 7.401 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.978 -9.409 5.682 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.904 -8.595 6.845 1.00 0.00 H new ATOM 202 N ILE A 13 0.445 -9.384 3.126 1.00 0.00 N ATOM 203 CA ILE A 13 1.058 -9.415 1.807 1.00 0.00 C ATOM 204 C ILE A 13 2.547 -9.154 2.008 1.00 0.00 C ATOM 205 O ILE A 13 2.921 -8.579 3.028 1.00 0.00 O ATOM 206 CB ILE A 13 0.396 -8.335 0.918 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.149 -8.338 1.007 1.00 0.00 C ATOM 208 CG2 ILE A 13 0.844 -8.436 -0.553 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.800 -9.663 0.592 1.00 0.00 C ATOM 0 H ILE A 13 0.395 -8.440 3.508 1.00 0.00 H new ATOM 0 HA ILE A 13 0.921 -10.374 1.307 1.00 0.00 H new ATOM 0 HB ILE A 13 0.744 -7.383 1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.443 -8.107 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.540 -7.541 0.375 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.353 -7.658 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.925 -8.308 -0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.572 -9.414 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.883 -9.581 0.683 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.539 -9.888 -0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.441 -10.463 1.239 1.00 0.00 H new ATOM 221 N THR A 14 3.387 -9.580 1.066 1.00 0.00 N ATOM 222 CA THR A 14 4.834 -9.403 1.086 1.00 0.00 C ATOM 223 C THR A 14 5.236 -8.949 -0.322 1.00 0.00 C ATOM 224 O THR A 14 4.772 -9.552 -1.295 1.00 0.00 O ATOM 225 CB THR A 14 5.493 -10.722 1.506 1.00 0.00 C ATOM 226 OG1 THR A 14 4.909 -11.202 2.703 1.00 0.00 O ATOM 227 CG2 THR A 14 6.977 -10.541 1.781 1.00 0.00 C ATOM 0 H THR A 14 3.063 -10.077 0.236 1.00 0.00 H new ATOM 0 HA THR A 14 5.163 -8.653 1.806 1.00 0.00 H new ATOM 0 HB THR A 14 5.347 -11.422 0.683 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.337 -12.045 2.961 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.411 -11.496 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.473 -10.180 0.880 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.112 -9.817 2.585 1.00 0.00 H new ATOM 235 N LEU A 15 5.957 -7.825 -0.450 1.00 0.00 N ATOM 236 CA LEU A 15 6.406 -7.271 -1.733 1.00 0.00 C ATOM 237 C LEU A 15 7.826 -6.721 -1.630 1.00 0.00 C ATOM 238 O LEU A 15 8.188 -6.164 -0.589 1.00 0.00 O ATOM 239 CB LEU A 15 5.486 -6.123 -2.194 1.00 0.00 C ATOM 240 CG LEU A 15 4.050 -6.529 -2.566 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.230 -5.269 -2.858 1.00 0.00 C ATOM 242 CD2 LEU A 15 4.011 -7.468 -3.772 1.00 0.00 C ATOM 0 H LEU A 15 6.249 -7.266 0.352 1.00 0.00 H new ATOM 0 HA LEU A 15 6.375 -8.088 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.439 -5.378 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.943 -5.640 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 15 3.623 -7.070 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.211 -5.551 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.212 -4.633 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.682 -4.725 -3.687 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.977 -7.728 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.457 -6.972 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.572 -8.375 -3.545 1.00 0.00 H new ATOM 254 N GLU A 16 8.589 -6.810 -2.717 1.00 0.00 N ATOM 255 CA GLU A 16 9.961 -6.336 -2.860 1.00 0.00 C ATOM 256 C GLU A 16 9.923 -5.056 -3.698 1.00 0.00 C ATOM 257 O GLU A 16 9.597 -5.098 -4.888 1.00 0.00 O ATOM 258 CB GLU A 16 10.805 -7.443 -3.512 1.00 0.00 C ATOM 259 CG GLU A 16 12.245 -7.016 -3.832 1.00 0.00 C ATOM 260 CD GLU A 16 13.144 -8.233 -4.068 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.888 -9.027 -5.009 1.00 0.00 O ATOM 262 OE2 GLU A 16 14.078 -8.441 -3.257 1.00 0.00 O ATOM 0 H GLU A 16 8.243 -7.242 -3.574 1.00 0.00 H new ATOM 0 HA GLU A 16 10.419 -6.106 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.831 -8.306 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.318 -7.764 -4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.250 -6.380 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.642 -6.421 -3.009 1.00 0.00 H new ATOM 269 N VAL A 17 10.136 -3.914 -3.039 1.00 0.00 N ATOM 270 CA VAL A 17 10.155 -2.579 -3.650 1.00 0.00 C ATOM 271 C VAL A 17 11.355 -1.803 -3.086 1.00 0.00 C ATOM 272 O VAL A 17 12.206 -2.397 -2.422 1.00 0.00 O ATOM 273 CB VAL A 17 8.784 -1.862 -3.554 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.687 -2.635 -4.303 1.00 0.00 C ATOM 275 CG2 VAL A 17 8.282 -1.597 -2.125 1.00 0.00 C ATOM 0 H VAL A 17 10.306 -3.891 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 17 10.303 -2.653 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 17 8.974 -0.894 -4.018 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.740 -2.102 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.957 -2.721 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.585 -3.631 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.317 -1.092 -2.166 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.174 -2.544 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.999 -0.967 -1.599 1.00 0.00 H new ATOM 285 N GLU A 18 11.482 -0.501 -3.344 1.00 0.00 N ATOM 286 CA GLU A 18 12.587 0.314 -2.843 1.00 0.00 C ATOM 287 C GLU A 18 12.133 1.745 -2.571 1.00 0.00 C ATOM 288 O GLU A 18 11.044 2.122 -3.007 1.00 0.00 O ATOM 289 CB GLU A 18 13.768 0.287 -3.833 1.00 0.00 C ATOM 290 CG GLU A 18 13.426 0.675 -5.281 1.00 0.00 C ATOM 291 CD GLU A 18 13.612 -0.542 -6.180 1.00 0.00 C ATOM 292 OE1 GLU A 18 12.877 -1.540 -5.999 1.00 0.00 O ATOM 293 OE2 GLU A 18 14.591 -0.572 -6.958 1.00 0.00 O ATOM 0 H GLU A 18 10.815 0.021 -3.912 1.00 0.00 H new ATOM 0 HA GLU A 18 12.924 -0.111 -1.898 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.542 0.962 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.195 -0.716 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.399 1.034 -5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.069 1.490 -5.614 1.00 0.00 H new ATOM 300 N PRO A 19 12.953 2.564 -1.877 1.00 0.00 N ATOM 301 CA PRO A 19 12.628 3.951 -1.586 1.00 0.00 C ATOM 302 C PRO A 19 12.313 4.764 -2.845 1.00 0.00 C ATOM 303 O PRO A 19 11.600 5.757 -2.739 1.00 0.00 O ATOM 304 CB PRO A 19 13.823 4.540 -0.834 1.00 0.00 C ATOM 305 CG PRO A 19 14.452 3.309 -0.197 1.00 0.00 C ATOM 306 CD PRO A 19 14.256 2.265 -1.291 1.00 0.00 C ATOM 0 HA PRO A 19 11.721 3.994 -0.983 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.515 5.047 -1.506 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.512 5.270 -0.086 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.505 3.462 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.955 3.028 0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.047 2.325 -2.039 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.281 1.255 -0.881 1.00 0.00 H new ATOM 314 N SER A 20 12.686 4.308 -4.044 1.00 0.00 N ATOM 315 CA SER A 20 12.442 5.095 -5.240 1.00 0.00 C ATOM 316 C SER A 20 11.409 4.433 -6.154 1.00 0.00 C ATOM 317 O SER A 20 11.382 4.701 -7.358 1.00 0.00 O ATOM 318 CB SER A 20 13.794 5.247 -5.974 1.00 0.00 C ATOM 319 OG SER A 20 14.905 5.336 -5.087 1.00 0.00 O ATOM 0 H SER A 20 13.149 3.414 -4.204 1.00 0.00 H new ATOM 0 HA SER A 20 12.034 6.067 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.936 4.396 -6.641 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.763 6.140 -6.599 1.00 0.00 H new ATOM 0 HG SER A 20 15.731 5.429 -5.606 1.00 0.00 H new ATOM 325 N ASP A 21 10.469 3.686 -5.569 1.00 0.00 N ATOM 326 CA ASP A 21 9.372 3.037 -6.289 1.00 0.00 C ATOM 327 C ASP A 21 8.098 3.848 -6.018 1.00 0.00 C ATOM 328 O ASP A 21 7.965 4.409 -4.920 1.00 0.00 O ATOM 329 CB ASP A 21 9.212 1.571 -5.877 1.00 0.00 C ATOM 330 CG ASP A 21 8.260 0.831 -6.818 1.00 0.00 C ATOM 331 OD1 ASP A 21 7.875 -0.308 -6.471 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.980 1.344 -7.921 1.00 0.00 O ATOM 0 H ASP A 21 10.449 3.513 -4.564 1.00 0.00 H new ATOM 0 HA ASP A 21 9.583 3.021 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.186 1.081 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.833 1.517 -4.856 1.00 0.00 H new ATOM 337 N THR A 22 7.222 4.047 -7.006 1.00 0.00 N ATOM 338 CA THR A 22 5.999 4.808 -6.770 1.00 0.00 C ATOM 339 C THR A 22 4.947 3.959 -6.064 1.00 0.00 C ATOM 340 O THR A 22 4.929 2.726 -6.143 1.00 0.00 O ATOM 341 CB THR A 22 5.384 5.335 -8.083 1.00 0.00 C ATOM 342 OG1 THR A 22 5.220 4.298 -9.026 1.00 0.00 O ATOM 343 CG2 THR A 22 6.141 6.517 -8.686 1.00 0.00 C ATOM 0 H THR A 22 7.335 3.698 -7.958 1.00 0.00 H new ATOM 0 HA THR A 22 6.286 5.651 -6.141 1.00 0.00 H new ATOM 0 HB THR A 22 4.399 5.718 -7.815 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.827 4.661 -9.847 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.650 6.832 -9.607 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.148 7.345 -7.977 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.166 6.219 -8.906 1.00 0.00 H new ATOM 351 N ILE A 23 4.001 4.637 -5.409 1.00 0.00 N ATOM 352 CA ILE A 23 2.892 3.954 -4.757 1.00 0.00 C ATOM 353 C ILE A 23 2.040 3.263 -5.839 1.00 0.00 C ATOM 354 O ILE A 23 1.333 2.319 -5.513 1.00 0.00 O ATOM 355 CB ILE A 23 2.133 4.891 -3.804 1.00 0.00 C ATOM 356 CG1 ILE A 23 3.035 5.376 -2.645 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.848 4.270 -3.226 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.715 4.292 -1.797 1.00 0.00 C ATOM 0 H ILE A 23 3.985 5.653 -5.319 1.00 0.00 H new ATOM 0 HA ILE A 23 3.249 3.166 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 23 1.838 5.742 -4.418 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.811 6.016 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.432 5.997 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.364 4.987 -2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.170 4.014 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.099 3.369 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.318 4.763 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.955 3.662 -1.335 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.356 3.681 -2.433 1.00 0.00 H new ATOM 370 N GLU A 24 2.051 3.744 -7.094 1.00 0.00 N ATOM 371 CA GLU A 24 1.305 3.153 -8.206 1.00 0.00 C ATOM 372 C GLU A 24 1.692 1.679 -8.332 1.00 0.00 C ATOM 373 O GLU A 24 0.821 0.809 -8.358 1.00 0.00 O ATOM 374 CB GLU A 24 1.613 3.927 -9.501 1.00 0.00 C ATOM 375 CG GLU A 24 0.968 3.324 -10.759 1.00 0.00 C ATOM 376 CD GLU A 24 1.283 4.169 -11.993 1.00 0.00 C ATOM 377 OE1 GLU A 24 0.353 4.816 -12.538 1.00 0.00 O ATOM 378 OE2 GLU A 24 2.466 4.259 -12.400 1.00 0.00 O ATOM 0 H GLU A 24 2.589 4.568 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 24 0.232 3.217 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.271 4.956 -9.387 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.693 3.964 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.332 2.307 -10.907 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.112 3.260 -10.624 1.00 0.00 H new ATOM 385 N ASN A 25 3.001 1.406 -8.352 1.00 0.00 N ATOM 386 CA ASN A 25 3.532 0.055 -8.448 1.00 0.00 C ATOM 387 C ASN A 25 3.043 -0.738 -7.246 1.00 0.00 C ATOM 388 O ASN A 25 2.482 -1.818 -7.412 1.00 0.00 O ATOM 389 CB ASN A 25 5.065 0.053 -8.547 1.00 0.00 C ATOM 390 CG ASN A 25 5.558 0.071 -9.990 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.943 -0.519 -10.872 1.00 0.00 O ATOM 392 ND2 ASN A 25 6.711 0.648 -10.259 1.00 0.00 N ATOM 0 H ASN A 25 3.721 2.126 -8.301 1.00 0.00 H new ATOM 0 HA ASN A 25 3.172 -0.414 -9.364 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.461 0.922 -8.021 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.457 -0.831 -8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.095 0.605 -11.203 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.220 1.138 -9.523 1.00 0.00 H new ATOM 399 N VAL A 26 3.241 -0.224 -6.029 1.00 0.00 N ATOM 400 CA VAL A 26 2.804 -0.893 -4.804 1.00 0.00 C ATOM 401 C VAL A 26 1.297 -1.202 -4.845 1.00 0.00 C ATOM 402 O VAL A 26 0.901 -2.307 -4.469 1.00 0.00 O ATOM 403 CB VAL A 26 3.167 -0.044 -3.565 1.00 0.00 C ATOM 404 CG1 VAL A 26 2.816 -0.762 -2.250 1.00 0.00 C ATOM 405 CG2 VAL A 26 4.663 0.296 -3.504 1.00 0.00 C ATOM 0 H VAL A 26 3.709 0.668 -5.867 1.00 0.00 H new ATOM 0 HA VAL A 26 3.330 -1.845 -4.730 1.00 0.00 H new ATOM 0 HB VAL A 26 2.580 0.868 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.088 -0.129 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.745 -0.965 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.365 -1.702 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.864 0.893 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.244 -0.625 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.944 0.862 -4.392 1.00 0.00 H new ATOM 415 N LYS A 27 0.454 -0.286 -5.338 1.00 0.00 N ATOM 416 CA LYS A 27 -0.996 -0.474 -5.396 1.00 0.00 C ATOM 417 C LYS A 27 -1.389 -1.443 -6.510 1.00 0.00 C ATOM 418 O LYS A 27 -2.468 -2.014 -6.430 1.00 0.00 O ATOM 419 CB LYS A 27 -1.690 0.898 -5.529 1.00 0.00 C ATOM 420 CG LYS A 27 -3.223 0.822 -5.363 1.00 0.00 C ATOM 421 CD LYS A 27 -3.911 2.189 -5.188 1.00 0.00 C ATOM 422 CE LYS A 27 -3.574 3.124 -6.353 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.375 4.369 -6.378 1.00 0.00 N ATOM 0 H LYS A 27 0.764 0.612 -5.710 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.336 -0.933 -4.468 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.283 1.578 -4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.457 1.323 -6.506 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.647 0.324 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.453 0.200 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.991 2.052 -5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.594 2.643 -4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.517 3.385 -6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.725 2.588 -7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.931 5.054 -7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.338 4.156 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.419 4.773 -5.421 1.00 0.00 H new ATOM 437 N ALA A 28 -0.526 -1.704 -7.492 1.00 0.00 N ATOM 438 CA ALA A 28 -0.805 -2.646 -8.566 1.00 0.00 C ATOM 439 C ALA A 28 -0.340 -4.033 -8.125 1.00 0.00 C ATOM 440 O ALA A 28 -1.085 -5.006 -8.232 1.00 0.00 O ATOM 441 CB ALA A 28 -0.104 -2.199 -9.848 1.00 0.00 C ATOM 0 H ALA A 28 0.391 -1.263 -7.561 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.874 -2.682 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.318 -2.909 -10.646 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.465 -1.211 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.972 -2.157 -9.679 1.00 0.00 H new ATOM 447 N LYS A 29 0.867 -4.134 -7.563 1.00 0.00 N ATOM 448 CA LYS A 29 1.456 -5.383 -7.085 1.00 0.00 C ATOM 449 C LYS A 29 0.516 -6.103 -6.115 1.00 0.00 C ATOM 450 O LYS A 29 0.408 -7.331 -6.173 1.00 0.00 O ATOM 451 CB LYS A 29 2.825 -5.098 -6.457 1.00 0.00 C ATOM 452 CG LYS A 29 3.938 -4.834 -7.488 1.00 0.00 C ATOM 453 CD LYS A 29 5.263 -4.555 -6.763 1.00 0.00 C ATOM 454 CE LYS A 29 6.389 -4.042 -7.671 1.00 0.00 C ATOM 455 NZ LYS A 29 6.881 -5.022 -8.663 1.00 0.00 N ATOM 0 H LYS A 29 1.476 -3.327 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 29 1.602 -6.056 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.740 -4.233 -5.799 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.112 -5.945 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.048 -5.695 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.671 -3.984 -8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.085 -3.822 -5.977 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.596 -5.471 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.035 -3.157 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.225 -3.727 -7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.638 -4.591 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.252 -5.859 -8.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.099 -5.306 -9.287 1.00 0.00 H new ATOM 469 N ILE A 30 -0.165 -5.379 -5.221 1.00 0.00 N ATOM 470 CA ILE A 30 -1.100 -5.990 -4.277 1.00 0.00 C ATOM 471 C ILE A 30 -2.284 -6.657 -5.008 1.00 0.00 C ATOM 472 O ILE A 30 -2.809 -7.648 -4.501 1.00 0.00 O ATOM 473 CB ILE A 30 -1.588 -4.974 -3.215 1.00 0.00 C ATOM 474 CG1 ILE A 30 -2.247 -3.741 -3.860 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.439 -4.602 -2.258 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.891 -2.770 -2.869 1.00 0.00 C ATOM 0 H ILE A 30 -0.084 -4.366 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.559 -6.774 -3.747 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.367 -5.450 -2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.495 -3.204 -4.437 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.008 -4.079 -4.564 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.799 -3.887 -1.518 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.082 -5.499 -1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.378 -4.156 -2.826 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.329 -1.933 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.670 -3.286 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.133 -2.398 -2.180 1.00 0.00 H new ATOM 488 N GLN A 31 -2.663 -6.207 -6.208 1.00 0.00 N ATOM 489 CA GLN A 31 -3.784 -6.778 -6.961 1.00 0.00 C ATOM 490 C GLN A 31 -3.350 -8.107 -7.586 1.00 0.00 C ATOM 491 O GLN A 31 -4.180 -8.955 -7.912 1.00 0.00 O ATOM 492 CB GLN A 31 -4.281 -5.813 -8.061 1.00 0.00 C ATOM 493 CG GLN A 31 -4.293 -4.341 -7.620 1.00 0.00 C ATOM 494 CD GLN A 31 -4.827 -3.367 -8.667 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.646 -3.528 -9.877 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.435 -2.281 -8.237 1.00 0.00 N ATOM 0 H GLN A 31 -2.200 -5.434 -6.686 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.611 -6.944 -6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.644 -5.916 -8.940 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.288 -6.103 -8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.898 -4.251 -6.718 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.278 -4.047 -7.354 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.587 -2.143 -7.238 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.754 -1.577 -8.903 1.00 0.00 H new ATOM 505 N ASP A 32 -2.047 -8.321 -7.782 1.00 0.00 N ATOM 506 CA ASP A 32 -1.527 -9.574 -8.337 1.00 0.00 C ATOM 507 C ASP A 32 -1.507 -10.637 -7.226 1.00 0.00 C ATOM 508 O ASP A 32 -1.930 -11.775 -7.452 1.00 0.00 O ATOM 509 CB ASP A 32 -0.128 -9.352 -8.942 1.00 0.00 C ATOM 510 CG ASP A 32 0.809 -10.561 -8.817 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.486 -11.675 -9.286 1.00 0.00 O ATOM 512 OD2 ASP A 32 1.909 -10.381 -8.248 1.00 0.00 O ATOM 0 H ASP A 32 -1.325 -7.635 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.172 -9.924 -9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.236 -9.098 -9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.335 -8.495 -8.453 1.00 0.00 H new ATOM 517 N LYS A 33 -1.140 -10.268 -5.991 1.00 0.00 N ATOM 518 CA LYS A 33 -1.070 -11.236 -4.888 1.00 0.00 C ATOM 519 C LYS A 33 -2.386 -11.444 -4.142 1.00 0.00 C ATOM 520 O LYS A 33 -2.479 -12.417 -3.394 1.00 0.00 O ATOM 521 CB LYS A 33 0.087 -10.895 -3.930 1.00 0.00 C ATOM 522 CG LYS A 33 1.443 -11.047 -4.639 1.00 0.00 C ATOM 523 CD LYS A 33 2.638 -11.040 -3.674 1.00 0.00 C ATOM 524 CE LYS A 33 3.934 -11.186 -4.483 1.00 0.00 C ATOM 525 NZ LYS A 33 5.116 -11.457 -3.642 1.00 0.00 N ATOM 0 H LYS A 33 -0.889 -9.314 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.865 -12.200 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.026 -9.874 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.050 -11.551 -3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.447 -11.979 -5.204 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.562 -10.237 -5.359 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.654 -10.113 -3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.548 -11.856 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.816 -11.995 -5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.104 -10.273 -5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.981 -11.246 -4.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.082 -10.858 -2.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.119 -12.458 -3.360 1.00 0.00 H new ATOM 539 N GLU A 34 -3.385 -10.574 -4.278 1.00 0.00 N ATOM 540 CA GLU A 34 -4.677 -10.720 -3.610 1.00 0.00 C ATOM 541 C GLU A 34 -5.727 -10.108 -4.542 1.00 0.00 C ATOM 542 O GLU A 34 -5.422 -9.157 -5.260 1.00 0.00 O ATOM 543 CB GLU A 34 -4.637 -10.012 -2.244 1.00 0.00 C ATOM 544 CG GLU A 34 -5.618 -10.576 -1.205 1.00 0.00 C ATOM 545 CD GLU A 34 -5.096 -11.810 -0.450 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.880 -11.943 -0.188 1.00 0.00 O ATOM 547 OE2 GLU A 34 -5.916 -12.673 -0.065 1.00 0.00 O ATOM 0 H GLU A 34 -3.320 -9.740 -4.861 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.921 -11.764 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.625 -10.079 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.852 -8.954 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.853 -9.795 -0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.550 -10.838 -1.706 1.00 0.00 H new ATOM 554 N GLY A 35 -6.972 -10.587 -4.497 1.00 0.00 N ATOM 555 CA GLY A 35 -8.032 -10.090 -5.361 1.00 0.00 C ATOM 556 C GLY A 35 -8.651 -8.801 -4.848 1.00 0.00 C ATOM 557 O GLY A 35 -9.649 -8.851 -4.125 1.00 0.00 O ATOM 0 H GLY A 35 -7.268 -11.328 -3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.632 -9.923 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.808 -10.850 -5.451 1.00 0.00 H new ATOM 561 N ILE A 36 -8.067 -7.657 -5.215 1.00 0.00 N ATOM 562 CA ILE A 36 -8.539 -6.329 -4.833 1.00 0.00 C ATOM 563 C ILE A 36 -8.307 -5.337 -5.996 1.00 0.00 C ATOM 564 O ILE A 36 -7.167 -4.939 -6.227 1.00 0.00 O ATOM 565 CB ILE A 36 -7.859 -5.858 -3.517 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.333 -6.142 -3.452 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.574 -6.485 -2.303 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.649 -5.592 -2.199 1.00 0.00 C ATOM 0 H ILE A 36 -7.232 -7.631 -5.801 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.610 -6.370 -4.636 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.958 -4.773 -3.496 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.172 -7.219 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.856 -5.711 -4.332 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.092 -6.151 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.619 -6.177 -2.297 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.516 -7.572 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.586 -5.832 -2.230 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.776 -4.510 -2.160 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.097 -6.042 -1.313 1.00 0.00 H new ATOM 580 N PRO A 37 -9.352 -4.895 -6.720 1.00 0.00 N ATOM 581 CA PRO A 37 -9.241 -3.932 -7.813 1.00 0.00 C ATOM 582 C PRO A 37 -8.910 -2.532 -7.260 1.00 0.00 C ATOM 583 O PRO A 37 -8.932 -2.323 -6.040 1.00 0.00 O ATOM 584 CB PRO A 37 -10.619 -3.906 -8.502 1.00 0.00 C ATOM 585 CG PRO A 37 -11.369 -5.109 -7.947 1.00 0.00 C ATOM 586 CD PRO A 37 -10.741 -5.288 -6.572 1.00 0.00 C ATOM 0 HA PRO A 37 -8.447 -4.211 -8.506 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.149 -2.978 -8.286 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.518 -3.971 -9.585 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.441 -4.923 -7.882 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.236 -5.993 -8.571 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.245 -4.671 -5.828 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.822 -6.322 -6.236 1.00 0.00 H new ATOM 594 N PRO A 38 -8.578 -1.540 -8.107 1.00 0.00 N ATOM 595 CA PRO A 38 -8.300 -0.178 -7.656 1.00 0.00 C ATOM 596 C PRO A 38 -9.657 0.526 -7.431 1.00 0.00 C ATOM 597 O PRO A 38 -9.910 1.618 -7.942 1.00 0.00 O ATOM 598 CB PRO A 38 -7.504 0.433 -8.816 1.00 0.00 C ATOM 599 CG PRO A 38 -8.096 -0.246 -10.053 1.00 0.00 C ATOM 600 CD PRO A 38 -8.491 -1.636 -9.552 1.00 0.00 C ATOM 0 HA PRO A 38 -7.742 -0.099 -6.723 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.622 1.516 -8.857 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.437 0.232 -8.720 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.958 0.301 -10.436 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.370 -0.304 -10.864 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.445 -1.946 -9.979 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.752 -2.380 -9.848 1.00 0.00 H new ATOM 608 N ASP A 39 -10.512 -0.065 -6.600 1.00 0.00 N ATOM 609 CA ASP A 39 -11.851 0.367 -6.228 1.00 0.00 C ATOM 610 C ASP A 39 -12.014 -0.077 -4.787 1.00 0.00 C ATOM 611 O ASP A 39 -11.729 -1.232 -4.465 1.00 0.00 O ATOM 612 CB ASP A 39 -12.900 -0.292 -7.131 1.00 0.00 C ATOM 613 CG ASP A 39 -14.297 0.304 -6.960 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.578 1.046 -5.995 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.163 0.033 -7.830 1.00 0.00 O ATOM 0 H ASP A 39 -10.260 -0.935 -6.130 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.986 1.443 -6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -12.592 -0.188 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -12.938 -1.360 -6.915 1.00 0.00 H new ATOM 620 N GLN A 40 -12.474 0.832 -3.929 1.00 0.00 N ATOM 621 CA GLN A 40 -12.650 0.617 -2.497 1.00 0.00 C ATOM 622 C GLN A 40 -11.309 0.119 -1.934 1.00 0.00 C ATOM 623 O GLN A 40 -11.237 -0.902 -1.248 1.00 0.00 O ATOM 624 CB GLN A 40 -13.813 -0.352 -2.194 1.00 0.00 C ATOM 625 CG GLN A 40 -15.172 -0.026 -2.829 1.00 0.00 C ATOM 626 CD GLN A 40 -15.607 1.429 -2.675 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.946 1.903 -1.596 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.614 2.198 -3.752 1.00 0.00 N ATOM 0 H GLN A 40 -12.743 1.771 -4.224 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.928 1.552 -2.010 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.517 -1.349 -2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.945 -0.396 -1.113 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.131 -0.270 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.931 -0.669 -2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.334 1.814 -4.655 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.899 3.175 -3.680 1.00 0.00 H new ATOM 637 N ASN A 41 -10.220 0.823 -2.263 1.00 0.00 N ATOM 638 CA ASN A 41 -8.886 0.478 -1.806 1.00 0.00 C ATOM 639 C ASN A 41 -7.984 1.711 -1.799 1.00 0.00 C ATOM 640 O ASN A 41 -7.882 2.403 -2.810 1.00 0.00 O ATOM 641 CB ASN A 41 -8.334 -0.584 -2.771 1.00 0.00 C ATOM 642 CG ASN A 41 -7.039 -1.177 -2.267 1.00 0.00 C ATOM 643 OD1 ASN A 41 -5.977 -0.950 -2.830 1.00 0.00 O ATOM 644 ND2 ASN A 41 -7.088 -1.960 -1.202 1.00 0.00 N ATOM 0 H ASN A 41 -10.249 1.651 -2.858 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.919 0.093 -0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.071 -1.376 -2.901 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.172 -0.136 -3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.233 -2.383 -0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.981 -2.141 -0.742 1.00 0.00 H new ATOM 651 N ARG A 42 -7.235 1.931 -0.720 1.00 0.00 N ATOM 652 CA ARG A 42 -6.301 3.038 -0.522 1.00 0.00 C ATOM 653 C ARG A 42 -5.242 2.505 0.438 1.00 0.00 C ATOM 654 O ARG A 42 -5.579 1.814 1.404 1.00 0.00 O ATOM 655 CB ARG A 42 -7.054 4.267 0.025 1.00 0.00 C ATOM 656 CG ARG A 42 -6.150 5.500 0.192 1.00 0.00 C ATOM 657 CD ARG A 42 -6.939 6.739 0.652 1.00 0.00 C ATOM 658 NE ARG A 42 -7.695 7.394 -0.434 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.233 8.330 -1.275 1.00 0.00 C ATOM 660 NH1 ARG A 42 -5.943 8.643 -1.288 1.00 0.00 N ATOM 661 NH2 ARG A 42 -8.068 8.948 -2.097 1.00 0.00 N ATOM 0 H ARG A 42 -7.265 1.306 0.085 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.830 3.375 -1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.874 4.513 -0.649 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.498 4.015 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.367 5.279 0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.655 5.717 -0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.632 6.446 1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.247 7.459 1.087 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.666 7.105 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.297 8.170 -0.656 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.598 9.356 -1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.060 8.711 -2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.719 9.661 -2.738 1.00 0.00 H new ATOM 675 N LEU A 43 -3.967 2.797 0.182 1.00 0.00 N ATOM 676 CA LEU A 43 -2.840 2.335 0.991 1.00 0.00 C ATOM 677 C LEU A 43 -2.578 3.330 2.118 1.00 0.00 C ATOM 678 O LEU A 43 -2.620 4.534 1.893 1.00 0.00 O ATOM 679 CB LEU A 43 -1.632 2.196 0.051 1.00 0.00 C ATOM 680 CG LEU A 43 -0.383 1.574 0.695 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.546 0.078 0.983 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.803 1.778 -0.252 1.00 0.00 C ATOM 0 H LEU A 43 -3.683 3.373 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.045 1.372 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.924 1.587 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.373 3.183 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.220 2.068 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.367 -0.307 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.382 -0.072 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.739 -0.453 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.700 1.342 0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.595 1.293 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.960 2.844 -0.414 1.00 0.00 H new ATOM 694 N ILE A 44 -2.276 2.854 3.327 1.00 0.00 N ATOM 695 CA ILE A 44 -2.023 3.679 4.508 1.00 0.00 C ATOM 696 C ILE A 44 -0.783 3.144 5.238 1.00 0.00 C ATOM 697 O ILE A 44 -0.598 1.930 5.318 1.00 0.00 O ATOM 698 CB ILE A 44 -3.260 3.618 5.451 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.656 3.544 4.780 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.226 4.749 6.494 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.148 4.818 4.084 1.00 0.00 C ATOM 0 H ILE A 44 -2.199 1.855 3.516 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.849 4.713 4.210 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.148 2.647 5.933 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.639 2.739 4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.386 3.267 5.541 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.104 4.678 7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.324 4.658 7.100 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.226 5.713 5.985 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.134 4.640 3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.209 5.629 4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.451 5.092 3.292 1.00 0.00 H new ATOM 713 N PHE A 45 0.037 4.017 5.822 1.00 0.00 N ATOM 714 CA PHE A 45 1.244 3.684 6.573 1.00 0.00 C ATOM 715 C PHE A 45 1.205 4.528 7.842 1.00 0.00 C ATOM 716 O PHE A 45 1.159 5.749 7.741 1.00 0.00 O ATOM 717 CB PHE A 45 2.497 3.990 5.742 1.00 0.00 C ATOM 718 CG PHE A 45 3.802 3.936 6.519 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.289 2.721 7.043 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.528 5.123 6.741 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.488 2.701 7.777 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.732 5.098 7.464 1.00 0.00 C ATOM 723 CZ PHE A 45 6.211 3.887 7.987 1.00 0.00 C ATOM 0 H PHE A 45 -0.131 5.022 5.782 1.00 0.00 H new ATOM 0 HA PHE A 45 1.283 2.622 6.815 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.552 3.280 4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.392 4.982 5.303 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.741 1.805 6.880 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.156 6.059 6.352 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.855 1.769 8.181 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.289 6.010 7.617 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.133 3.867 8.549 1.00 0.00 H new ATOM 733 N ALA A 46 1.183 3.904 9.025 1.00 0.00 N ATOM 734 CA ALA A 46 1.132 4.590 10.321 1.00 0.00 C ATOM 735 C ALA A 46 0.020 5.655 10.369 1.00 0.00 C ATOM 736 O ALA A 46 0.215 6.759 10.877 1.00 0.00 O ATOM 737 CB ALA A 46 2.521 5.148 10.655 1.00 0.00 C ATOM 0 H ALA A 46 1.200 2.888 9.110 1.00 0.00 H new ATOM 0 HA ALA A 46 0.865 3.872 11.096 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.486 5.658 11.618 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.240 4.330 10.704 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.826 5.853 9.881 1.00 0.00 H new ATOM 743 N GLY A 47 -1.137 5.358 9.768 1.00 0.00 N ATOM 744 CA GLY A 47 -2.284 6.260 9.715 1.00 0.00 C ATOM 745 C GLY A 47 -2.180 7.320 8.613 1.00 0.00 C ATOM 746 O GLY A 47 -3.174 7.976 8.302 1.00 0.00 O ATOM 0 H GLY A 47 -1.302 4.468 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.190 5.674 9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.388 6.759 10.679 1.00 0.00 H new ATOM 750 N LYS A 48 -0.998 7.552 8.037 1.00 0.00 N ATOM 751 CA LYS A 48 -0.808 8.520 6.967 1.00 0.00 C ATOM 752 C LYS A 48 -1.266 7.818 5.695 1.00 0.00 C ATOM 753 O LYS A 48 -0.745 6.761 5.338 1.00 0.00 O ATOM 754 CB LYS A 48 0.659 8.971 6.923 1.00 0.00 C ATOM 755 CG LYS A 48 0.983 9.818 5.686 1.00 0.00 C ATOM 756 CD LYS A 48 2.280 10.616 5.884 1.00 0.00 C ATOM 757 CE LYS A 48 1.959 12.064 6.271 1.00 0.00 C ATOM 758 NZ LYS A 48 3.181 12.883 6.373 1.00 0.00 N ATOM 0 H LYS A 48 -0.142 7.067 8.306 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.384 9.435 7.108 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.885 9.546 7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.305 8.093 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.080 9.171 4.814 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.159 10.502 5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.887 10.151 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.869 10.599 4.967 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.290 12.499 5.529 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.431 12.078 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.926 13.856 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.809 12.481 7.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.672 12.890 5.456 1.00 0.00 H new ATOM 772 N GLN A 49 -2.290 8.366 5.050 1.00 0.00 N ATOM 773 CA GLN A 49 -2.852 7.818 3.826 1.00 0.00 C ATOM 774 C GLN A 49 -1.893 8.145 2.690 1.00 0.00 C ATOM 775 O GLN A 49 -1.371 9.258 2.625 1.00 0.00 O ATOM 776 CB GLN A 49 -4.273 8.338 3.550 1.00 0.00 C ATOM 777 CG GLN A 49 -5.159 8.415 4.810 1.00 0.00 C ATOM 778 CD GLN A 49 -4.991 9.722 5.584 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.095 10.522 5.312 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.817 9.949 6.583 1.00 0.00 N ATOM 0 H GLN A 49 -2.758 9.215 5.369 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.960 6.738 3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.207 9.329 3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.753 7.688 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.204 8.304 4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.920 7.578 5.466 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -6.555 9.278 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.720 10.796 7.143 1.00 0.00 H new ATOM 789 N LEU A 50 -1.655 7.164 1.827 1.00 0.00 N ATOM 790 CA LEU A 50 -0.766 7.213 0.683 1.00 0.00 C ATOM 791 C LEU A 50 -1.560 6.954 -0.591 1.00 0.00 C ATOM 792 O LEU A 50 -2.625 6.332 -0.564 1.00 0.00 O ATOM 793 CB LEU A 50 0.301 6.105 0.788 1.00 0.00 C ATOM 794 CG LEU A 50 0.937 5.860 2.168 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.850 4.639 2.050 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.743 7.053 2.678 1.00 0.00 C ATOM 0 H LEU A 50 -2.110 6.256 1.918 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.295 8.196 0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.151 5.170 0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.101 6.341 0.086 1.00 0.00 H new ATOM 0 HG LEU A 50 0.135 5.700 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.317 4.439 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.262 3.773 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.623 4.833 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.165 6.816 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.549 7.273 1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.091 7.922 2.765 1.00 0.00 H new ATOM 808 N GLU A 51 -1.045 7.453 -1.706 1.00 0.00 N ATOM 809 CA GLU A 51 -1.619 7.282 -3.027 1.00 0.00 C ATOM 810 C GLU A 51 -0.503 7.425 -4.064 1.00 0.00 C ATOM 811 O GLU A 51 0.638 7.758 -3.716 1.00 0.00 O ATOM 812 CB GLU A 51 -2.798 8.231 -3.251 1.00 0.00 C ATOM 813 CG GLU A 51 -2.442 9.719 -3.325 1.00 0.00 C ATOM 814 CD GLU A 51 -3.633 10.592 -2.929 1.00 0.00 C ATOM 815 OE1 GLU A 51 -3.404 11.602 -2.231 1.00 0.00 O ATOM 816 OE2 GLU A 51 -4.799 10.217 -3.204 1.00 0.00 O ATOM 0 H GLU A 51 -0.188 8.006 -1.713 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.044 6.284 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.298 7.949 -4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.516 8.087 -2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.600 9.927 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.124 9.970 -4.337 1.00 0.00 H new ATOM 823 N ASP A 52 -0.860 7.212 -5.328 1.00 0.00 N ATOM 824 CA ASP A 52 0.021 7.248 -6.486 1.00 0.00 C ATOM 825 C ASP A 52 0.455 8.664 -6.840 1.00 0.00 C ATOM 826 O ASP A 52 -0.068 9.659 -6.337 1.00 0.00 O ATOM 827 CB ASP A 52 -0.600 6.515 -7.690 1.00 0.00 C ATOM 828 CG ASP A 52 -2.011 6.957 -8.079 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.916 6.084 -8.063 1.00 0.00 O ATOM 830 OD2 ASP A 52 -2.243 8.156 -8.336 1.00 0.00 O ATOM 0 H ASP A 52 -1.824 6.998 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 52 0.928 6.710 -6.212 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.054 6.651 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.621 5.447 -7.471 1.00 0.00 H new ATOM 835 N GLY A 53 1.545 8.723 -7.605 1.00 0.00 N ATOM 836 CA GLY A 53 2.198 9.933 -8.069 1.00 0.00 C ATOM 837 C GLY A 53 3.456 10.212 -7.245 1.00 0.00 C ATOM 838 O GLY A 53 4.380 10.851 -7.747 1.00 0.00 O ATOM 0 H GLY A 53 2.016 7.879 -7.932 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.461 9.831 -9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.511 10.776 -7.992 1.00 0.00 H new ATOM 842 N ARG A 54 3.501 9.756 -5.985 1.00 0.00 N ATOM 843 CA ARG A 54 4.642 9.938 -5.080 1.00 0.00 C ATOM 844 C ARG A 54 5.387 8.615 -4.891 1.00 0.00 C ATOM 845 O ARG A 54 4.844 7.559 -5.242 1.00 0.00 O ATOM 846 CB ARG A 54 4.142 10.533 -3.757 1.00 0.00 C ATOM 847 CG ARG A 54 3.763 12.008 -3.925 1.00 0.00 C ATOM 848 CD ARG A 54 3.525 12.685 -2.572 1.00 0.00 C ATOM 849 NE ARG A 54 2.518 13.753 -2.669 1.00 0.00 N ATOM 850 CZ ARG A 54 2.185 14.583 -1.676 1.00 0.00 C ATOM 851 NH1 ARG A 54 2.787 14.499 -0.495 1.00 0.00 N ATOM 852 NH2 ARG A 54 1.243 15.496 -1.855 1.00 0.00 N ATOM 0 H ARG A 54 2.730 9.241 -5.560 1.00 0.00 H new ATOM 0 HA ARG A 54 5.359 10.637 -5.510 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.278 9.970 -3.405 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.916 10.438 -2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.557 12.530 -4.459 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.863 12.086 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.198 11.941 -1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.463 13.101 -2.203 1.00 0.00 H new ATOM 0 HE ARG A 54 2.038 13.869 -3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.510 13.797 -0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.526 15.137 0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.767 15.568 -2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.993 16.127 -1.093 1.00 0.00 H new ATOM 866 N THR A 55 6.576 8.658 -4.281 1.00 0.00 N ATOM 867 CA THR A 55 7.404 7.479 -4.049 1.00 0.00 C ATOM 868 C THR A 55 7.606 7.219 -2.560 1.00 0.00 C ATOM 869 O THR A 55 7.323 8.078 -1.718 1.00 0.00 O ATOM 870 CB THR A 55 8.749 7.613 -4.797 1.00 0.00 C ATOM 871 OG1 THR A 55 9.573 8.651 -4.286 1.00 0.00 O ATOM 872 CG2 THR A 55 8.563 7.819 -6.303 1.00 0.00 C ATOM 0 H THR A 55 6.991 9.522 -3.933 1.00 0.00 H new ATOM 0 HA THR A 55 6.881 6.610 -4.449 1.00 0.00 H new ATOM 0 HB THR A 55 9.253 6.661 -4.627 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.033 9.455 -4.140 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.538 7.907 -6.781 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.028 6.967 -6.723 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.990 8.729 -6.478 1.00 0.00 H new ATOM 880 N LEU A 56 8.087 6.017 -2.226 1.00 0.00 N ATOM 881 CA LEU A 56 8.354 5.604 -0.850 1.00 0.00 C ATOM 882 C LEU A 56 9.237 6.623 -0.127 1.00 0.00 C ATOM 883 O LEU A 56 8.986 6.909 1.040 1.00 0.00 O ATOM 884 CB LEU A 56 8.959 4.193 -0.777 1.00 0.00 C ATOM 885 CG LEU A 56 7.914 3.064 -0.839 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.433 2.796 -2.264 1.00 0.00 C ATOM 887 CD2 LEU A 56 8.501 1.774 -0.267 1.00 0.00 C ATOM 0 H LEU A 56 8.304 5.297 -2.915 1.00 0.00 H new ATOM 0 HA LEU A 56 7.393 5.567 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.665 4.068 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.527 4.099 0.148 1.00 0.00 H new ATOM 0 HG LEU A 56 7.059 3.391 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.697 1.992 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.978 3.699 -2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.280 2.506 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.754 0.982 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.376 1.484 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.792 1.936 0.771 1.00 0.00 H new ATOM 899 N SER A 57 10.265 7.151 -0.793 1.00 0.00 N ATOM 900 CA SER A 57 11.207 8.139 -0.286 1.00 0.00 C ATOM 901 C SER A 57 10.465 9.420 0.102 1.00 0.00 C ATOM 902 O SER A 57 10.703 9.957 1.185 1.00 0.00 O ATOM 903 CB SER A 57 12.274 8.380 -1.371 1.00 0.00 C ATOM 904 OG SER A 57 13.300 9.281 -1.005 1.00 0.00 O ATOM 0 H SER A 57 10.471 6.882 -1.755 1.00 0.00 H new ATOM 0 HA SER A 57 11.703 7.783 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.726 7.424 -1.634 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.782 8.757 -2.267 1.00 0.00 H new ATOM 0 HG SER A 57 13.933 9.375 -1.747 1.00 0.00 H new ATOM 910 N ASP A 58 9.544 9.905 -0.741 1.00 0.00 N ATOM 911 CA ASP A 58 8.774 11.127 -0.473 1.00 0.00 C ATOM 912 C ASP A 58 7.973 10.942 0.812 1.00 0.00 C ATOM 913 O ASP A 58 8.062 11.767 1.730 1.00 0.00 O ATOM 914 CB ASP A 58 7.847 11.514 -1.636 1.00 0.00 C ATOM 915 CG ASP A 58 8.626 11.752 -2.925 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.440 10.947 -3.865 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.488 12.669 -2.944 1.00 0.00 O ATOM 0 H ASP A 58 9.311 9.461 -1.629 1.00 0.00 H new ATOM 0 HA ASP A 58 9.482 11.948 -0.360 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.114 10.723 -1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.292 12.415 -1.375 1.00 0.00 H new ATOM 922 N TYR A 59 7.309 9.792 0.943 1.00 0.00 N ATOM 923 CA TYR A 59 6.505 9.462 2.116 1.00 0.00 C ATOM 924 C TYR A 59 7.383 8.945 3.271 1.00 0.00 C ATOM 925 O TYR A 59 6.873 8.725 4.372 1.00 0.00 O ATOM 926 CB TYR A 59 5.485 8.377 1.738 1.00 0.00 C ATOM 927 CG TYR A 59 4.369 8.801 0.799 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.383 9.708 1.236 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.247 8.207 -0.471 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.272 10.004 0.425 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.146 8.510 -1.288 1.00 0.00 C ATOM 932 CZ TYR A 59 2.146 9.399 -0.844 1.00 0.00 C ATOM 933 OH TYR A 59 1.064 9.663 -1.629 1.00 0.00 O ATOM 0 H TYR A 59 7.316 9.060 0.232 1.00 0.00 H new ATOM 0 HA TYR A 59 5.998 10.368 2.449 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.022 7.547 1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.035 7.996 2.655 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.481 10.180 2.202 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.002 7.517 -0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.517 10.693 0.773 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.064 8.058 -2.265 1.00 0.00 H new ATOM 0 HH TYR A 59 1.131 9.151 -2.462 1.00 0.00 H new ATOM 943 N ASN A 60 8.693 8.785 3.063 1.00 0.00 N ATOM 944 CA ASN A 60 9.699 8.312 4.014 1.00 0.00 C ATOM 945 C ASN A 60 9.327 6.962 4.644 1.00 0.00 C ATOM 946 O ASN A 60 9.397 6.774 5.862 1.00 0.00 O ATOM 947 CB ASN A 60 10.034 9.408 5.028 1.00 0.00 C ATOM 948 CG ASN A 60 11.228 9.035 5.891 1.00 0.00 C ATOM 949 OD1 ASN A 60 12.257 8.581 5.392 1.00 0.00 O ATOM 950 ND2 ASN A 60 11.115 9.222 7.195 1.00 0.00 N ATOM 0 H ASN A 60 9.108 8.999 2.156 1.00 0.00 H new ATOM 0 HA ASN A 60 10.619 8.105 3.467 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.244 10.339 4.501 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.168 9.590 5.665 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.892 8.988 7.813 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.251 9.600 7.583 1.00 0.00 H new ATOM 957 N ILE A 61 8.927 6.007 3.810 1.00 0.00 N ATOM 958 CA ILE A 61 8.535 4.663 4.225 1.00 0.00 C ATOM 959 C ILE A 61 9.835 3.863 4.299 1.00 0.00 C ATOM 960 O ILE A 61 10.629 3.873 3.356 1.00 0.00 O ATOM 961 CB ILE A 61 7.519 4.085 3.213 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.227 4.935 3.244 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.181 2.612 3.514 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.308 4.698 2.047 1.00 0.00 C ATOM 0 H ILE A 61 8.865 6.149 2.802 1.00 0.00 H new ATOM 0 HA ILE A 61 8.033 4.638 5.192 1.00 0.00 H new ATOM 0 HB ILE A 61 7.972 4.122 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.680 4.715 4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.498 5.990 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.464 2.246 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.090 2.013 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.749 2.534 4.512 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.423 5.328 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.837 4.946 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.007 3.651 2.021 1.00 0.00 H new ATOM 976 N GLN A 62 10.089 3.225 5.445 1.00 0.00 N ATOM 977 CA GLN A 62 11.297 2.435 5.665 1.00 0.00 C ATOM 978 C GLN A 62 11.082 0.981 5.248 1.00 0.00 C ATOM 979 O GLN A 62 9.962 0.551 4.959 1.00 0.00 O ATOM 980 CB GLN A 62 11.717 2.478 7.149 1.00 0.00 C ATOM 981 CG GLN A 62 11.820 3.881 7.758 1.00 0.00 C ATOM 982 CD GLN A 62 12.634 4.846 6.899 1.00 0.00 C ATOM 983 OE1 GLN A 62 13.780 4.594 6.533 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.066 5.991 6.569 1.00 0.00 N ATOM 0 H GLN A 62 9.459 3.244 6.247 1.00 0.00 H new ATOM 0 HA GLN A 62 12.088 2.870 5.054 1.00 0.00 H new ATOM 0 HB2 GLN A 62 10.999 1.899 7.730 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.683 1.983 7.251 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.817 4.285 7.898 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.275 3.810 8.746 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.115 6.195 6.875 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.578 6.671 6.008 1.00 0.00 H new ATOM 993 N LYS A 63 12.182 0.233 5.199 1.00 0.00 N ATOM 994 CA LYS A 63 12.200 -1.180 4.854 1.00 0.00 C ATOM 995 C LYS A 63 11.513 -1.984 5.958 1.00 0.00 C ATOM 996 O LYS A 63 11.391 -1.507 7.091 1.00 0.00 O ATOM 997 CB LYS A 63 13.644 -1.639 4.602 1.00 0.00 C ATOM 998 CG LYS A 63 14.496 -1.746 5.878 1.00 0.00 C ATOM 999 CD LYS A 63 15.903 -2.231 5.529 1.00 0.00 C ATOM 1000 CE LYS A 63 16.657 -2.652 6.789 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.042 -3.059 6.490 1.00 0.00 N ATOM 0 H LYS A 63 13.109 0.606 5.404 1.00 0.00 H new ATOM 0 HA LYS A 63 11.645 -1.350 3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.625 -2.610 4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.122 -0.941 3.915 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.549 -0.776 6.372 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.028 -2.436 6.580 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.842 -3.072 4.838 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.450 -1.438 5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.667 -1.825 7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.131 -3.478 7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.520 -3.337 7.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.033 -3.864 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.552 -2.263 6.056 1.00 0.00 H new ATOM 1015 N GLU A 64 11.030 -3.175 5.620 1.00 0.00 N ATOM 1016 CA GLU A 64 10.359 -4.100 6.522 1.00 0.00 C ATOM 1017 C GLU A 64 9.198 -3.446 7.296 1.00 0.00 C ATOM 1018 O GLU A 64 8.966 -3.739 8.473 1.00 0.00 O ATOM 1019 CB GLU A 64 11.420 -4.828 7.376 1.00 0.00 C ATOM 1020 CG GLU A 64 12.280 -5.822 6.563 1.00 0.00 C ATOM 1021 CD GLU A 64 13.376 -5.224 5.666 1.00 0.00 C ATOM 1022 OE1 GLU A 64 13.147 -5.023 4.447 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.501 -5.028 6.176 1.00 0.00 O ATOM 0 H GLU A 64 11.099 -3.536 4.669 1.00 0.00 H new ATOM 0 HA GLU A 64 9.842 -4.871 5.951 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.073 -4.089 7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.921 -5.365 8.183 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.753 -6.512 7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.613 -6.413 5.935 1.00 0.00 H new ATOM 1030 N SER A 65 8.474 -2.526 6.651 1.00 0.00 N ATOM 1031 CA SER A 65 7.327 -1.821 7.219 1.00 0.00 C ATOM 1032 C SER A 65 6.046 -2.647 7.014 1.00 0.00 C ATOM 1033 O SER A 65 6.037 -3.568 6.194 1.00 0.00 O ATOM 1034 CB SER A 65 7.229 -0.422 6.592 1.00 0.00 C ATOM 1035 OG SER A 65 7.502 -0.430 5.203 1.00 0.00 O ATOM 0 H SER A 65 8.678 -2.245 5.692 1.00 0.00 H new ATOM 0 HA SER A 65 7.456 -1.695 8.294 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.229 -0.021 6.760 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.929 0.247 7.093 1.00 0.00 H new ATOM 0 HG SER A 65 8.461 -0.293 5.057 1.00 0.00 H new ATOM 1041 N THR A 66 4.972 -2.347 7.754 1.00 0.00 N ATOM 1042 CA THR A 66 3.686 -3.034 7.661 1.00 0.00 C ATOM 1043 C THR A 66 2.615 -1.967 7.440 1.00 0.00 C ATOM 1044 O THR A 66 2.291 -1.195 8.340 1.00 0.00 O ATOM 1045 CB THR A 66 3.432 -3.944 8.875 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.567 -4.758 9.127 1.00 0.00 O ATOM 1047 CG2 THR A 66 2.244 -4.876 8.617 1.00 0.00 C ATOM 0 H THR A 66 4.977 -1.601 8.450 1.00 0.00 H new ATOM 0 HA THR A 66 3.669 -3.722 6.816 1.00 0.00 H new ATOM 0 HB THR A 66 3.225 -3.298 9.728 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.393 -5.331 9.903 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.083 -5.510 9.489 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.349 -4.282 8.430 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.453 -5.500 7.748 1.00 0.00 H new ATOM 1055 N LEU A 67 2.055 -1.912 6.236 1.00 0.00 N ATOM 1056 CA LEU A 67 1.040 -0.948 5.834 1.00 0.00 C ATOM 1057 C LEU A 67 -0.366 -1.550 5.977 1.00 0.00 C ATOM 1058 O LEU A 67 -0.508 -2.725 6.319 1.00 0.00 O ATOM 1059 CB LEU A 67 1.347 -0.522 4.385 1.00 0.00 C ATOM 1060 CG LEU A 67 2.637 0.320 4.232 1.00 0.00 C ATOM 1061 CD1 LEU A 67 3.945 -0.488 4.246 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.594 1.090 2.914 1.00 0.00 C ATOM 0 H LEU A 67 2.305 -2.560 5.489 1.00 0.00 H new ATOM 0 HA LEU A 67 1.062 -0.070 6.479 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.434 -1.415 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.504 0.052 4.000 1.00 0.00 H new ATOM 0 HG LEU A 67 2.649 0.973 5.105 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.792 0.189 4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.032 -1.023 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.940 -1.203 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.503 1.682 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.520 0.387 2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.728 1.751 2.907 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.408 -0.730 5.852 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.827 -1.094 5.915 1.00 0.00 C ATOM 1076 C HIS A 68 -3.496 -0.719 4.589 1.00 0.00 C ATOM 1077 O HIS A 68 -3.027 0.193 3.906 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.541 -0.320 7.037 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.393 -0.860 8.435 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.423 -0.508 9.345 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -4.306 -1.643 9.093 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.743 -1.057 10.526 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.877 -1.769 10.418 1.00 0.00 N ATOM 0 H HIS A 68 -1.278 0.269 5.694 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.899 -2.164 6.108 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.174 0.706 7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.604 -0.280 6.799 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.195 -2.083 8.666 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.170 -0.943 11.435 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.336 -2.299 11.159 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.586 -1.393 4.214 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.361 -1.095 3.007 1.00 0.00 C ATOM 1093 C LEU A 69 -6.791 -0.840 3.482 1.00 0.00 C ATOM 1094 O LEU A 69 -7.351 -1.731 4.128 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.303 -2.245 1.997 1.00 0.00 C ATOM 1096 CG LEU A 69 -3.957 -2.381 1.282 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -3.829 -3.791 0.693 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -3.800 -1.346 0.166 1.00 0.00 C ATOM 0 H LEU A 69 -4.961 -2.175 4.750 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.955 -0.229 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.524 -3.179 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.085 -2.100 1.252 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.170 -2.206 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.870 -3.887 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.890 -4.527 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.636 -3.963 -0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.832 -1.476 -0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.593 -1.481 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.863 -0.343 0.588 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.390 0.314 3.177 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.752 0.656 3.609 1.00 0.00 C ATOM 1112 C VAL A 70 -9.542 1.391 2.518 1.00 0.00 C ATOM 1113 O VAL A 70 -8.980 1.778 1.494 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.707 1.496 4.912 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.806 0.898 6.007 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.239 2.936 4.662 1.00 0.00 C ATOM 0 H VAL A 70 -6.943 1.043 2.621 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.276 -0.280 3.805 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.739 1.486 5.261 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.826 1.542 6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.169 -0.094 6.275 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.784 0.823 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.225 3.483 5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.236 2.924 4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.923 3.426 3.969 1.00 0.00 H new ATOM 1126 N LEU A 71 -10.839 1.607 2.770 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.785 2.304 1.902 1.00 0.00 C ATOM 1128 C LEU A 71 -12.719 3.152 2.766 1.00 0.00 C ATOM 1129 O LEU A 71 -12.517 3.274 3.979 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.616 1.272 1.104 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.648 0.462 1.938 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.086 0.659 1.441 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.328 -1.033 1.951 1.00 0.00 C ATOM 0 H LEU A 71 -11.276 1.281 3.632 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.243 2.943 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.147 1.795 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.932 0.572 0.624 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.572 0.853 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.767 0.072 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.353 1.714 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.161 0.331 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.075 -1.560 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.340 -1.416 0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.341 -1.190 2.386 1.00 0.00 H new