USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 434 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 3 TYR OH : rot 63:sc= -1.08 USER MOD Set 1.2: A 45 TYR OH : rot 69:sc= -0.237 USER MOD Single : A 2 THR OG1 : rot 19:sc= 0.597 USER MOD Single : A 4 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0094) USER MOD Single : A 8 ASN : amide:sc= -0.0756 X(o=-0.076,f=-0.03) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -169:sc= 0.0875 (180deg=0.0532) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0194) USER MOD Single : A 38 THR OG1 : rot -160:sc=-0.00191 USER MOD Single : A 44 THR OG1 : rot 27:sc= 0.707 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -142:sc=0.000578 (180deg=-0.266) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 4.536 -13.583 -0.888 1.00 0.00 N ATOM 18 CA THR A 2 5.097 -12.283 -1.216 1.00 0.00 C ATOM 19 C THR A 2 4.020 -11.351 -1.766 1.00 0.00 C ATOM 20 O THR A 2 3.404 -11.641 -2.792 1.00 0.00 O ATOM 21 CB THR A 2 6.229 -12.434 -2.236 1.00 0.00 C ATOM 22 OG1 THR A 2 6.890 -13.674 -2.074 1.00 0.00 O ATOM 23 CG2 THR A 2 7.272 -11.340 -2.134 1.00 0.00 C ATOM 0 HA THR A 2 5.499 -11.846 -0.302 1.00 0.00 H new ATOM 0 HB THR A 2 5.749 -12.370 -3.213 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.318 -14.285 -1.565 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.046 -11.504 -2.883 1.00 0.00 H new ATOM 0 HG22 THR A 2 6.802 -10.372 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 2 7.720 -11.356 -1.140 1.00 0.00 H new ATOM 31 N TYR A 3 3.803 -10.237 -1.080 1.00 0.00 N ATOM 32 CA TYR A 3 2.802 -9.265 -1.504 1.00 0.00 C ATOM 33 C TYR A 3 3.403 -8.245 -2.464 1.00 0.00 C ATOM 34 O TYR A 3 4.611 -8.002 -2.449 1.00 0.00 O ATOM 35 CB TYR A 3 2.214 -8.537 -0.299 1.00 0.00 C ATOM 36 CG TYR A 3 1.081 -9.271 0.375 1.00 0.00 C ATOM 37 CD1 TYR A 3 1.060 -10.657 0.450 1.00 0.00 C ATOM 38 CD2 TYR A 3 0.025 -8.565 0.934 1.00 0.00 C ATOM 39 CE1 TYR A 3 0.015 -11.321 1.064 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.022 -9.220 1.550 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.023 -10.598 1.613 1.00 0.00 C ATOM 42 OH TYR A 3 -2.065 -11.255 2.226 1.00 0.00 O ATOM 0 H TYR A 3 4.305 -9.983 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 3 2.010 -9.811 -2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.006 -8.366 0.430 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.858 -7.557 -0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.873 -11.225 0.022 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.023 -7.486 0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.011 -12.400 1.114 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.837 -8.656 1.981 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.730 -11.742 3.008 1.00 0.00 H new ATOM 52 N LYS A 4 2.548 -7.645 -3.289 1.00 0.00 N ATOM 53 CA LYS A 4 2.990 -6.645 -4.257 1.00 0.00 C ATOM 54 C LYS A 4 2.110 -5.399 -4.201 1.00 0.00 C ATOM 55 O LYS A 4 0.883 -5.493 -4.182 1.00 0.00 O ATOM 56 CB LYS A 4 2.973 -7.233 -5.669 1.00 0.00 C ATOM 57 CG LYS A 4 4.213 -8.046 -6.003 1.00 0.00 C ATOM 58 CD LYS A 4 4.222 -8.473 -7.462 1.00 0.00 C ATOM 59 CE LYS A 4 5.540 -9.130 -7.841 1.00 0.00 C ATOM 60 NZ LYS A 4 5.733 -10.430 -7.143 1.00 0.00 N ATOM 0 H LYS A 4 1.546 -7.834 -3.306 1.00 0.00 H new ATOM 0 HA LYS A 4 4.009 -6.355 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.093 -7.866 -5.780 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.875 -6.422 -6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.105 -7.456 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.254 -8.928 -5.364 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.402 -9.168 -7.644 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.051 -7.604 -8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.570 -9.289 -8.919 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.364 -8.460 -7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.618 -10.870 -7.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.781 -10.269 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.935 -11.061 -7.357 1.00 0.00 H new ATOM 74 N LEU A 5 2.749 -4.234 -4.169 1.00 0.00 N ATOM 75 CA LEU A 5 2.030 -2.965 -4.112 1.00 0.00 C ATOM 76 C LEU A 5 2.340 -2.084 -5.300 1.00 0.00 C ATOM 77 O LEU A 5 3.479 -2.008 -5.760 1.00 0.00 O ATOM 78 CB LEU A 5 2.395 -2.156 -2.867 1.00 0.00 C ATOM 79 CG LEU A 5 1.507 -0.926 -2.629 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.036 -1.303 -2.659 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.863 -0.241 -1.319 1.00 0.00 C ATOM 0 H LEU A 5 3.765 -4.142 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 5 0.975 -3.238 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.335 -2.807 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.432 -1.830 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 5 1.691 -0.220 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.571 -0.414 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.211 -1.729 -3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.167 -2.037 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.219 0.627 -1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.721 -0.939 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.904 0.081 -1.348 1.00 0.00 H new ATOM 93 N ILE A 6 1.327 -1.368 -5.745 1.00 0.00 N ATOM 94 CA ILE A 6 1.491 -0.427 -6.826 1.00 0.00 C ATOM 95 C ILE A 6 0.708 0.838 -6.502 1.00 0.00 C ATOM 96 O ILE A 6 -0.515 0.803 -6.370 1.00 0.00 O ATOM 97 CB ILE A 6 1.019 -1.001 -8.175 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.680 -2.357 -8.436 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.329 -0.029 -9.304 1.00 0.00 C ATOM 100 CD1 ILE A 6 3.190 -2.289 -8.502 1.00 0.00 C ATOM 0 H ILE A 6 0.380 -1.423 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 6 2.554 -0.206 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.061 -1.145 -8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.390 -3.052 -7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.301 -2.763 -9.374 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.989 -0.450 -10.250 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.816 0.916 -9.122 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.404 0.145 -9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.591 -3.285 -8.689 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.489 -1.620 -9.309 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.579 -1.913 -7.556 1.00 0.00 H new ATOM 112 N LEU A 7 1.417 1.949 -6.349 1.00 0.00 N ATOM 113 CA LEU A 7 0.775 3.212 -6.009 1.00 0.00 C ATOM 114 C LEU A 7 0.645 4.115 -7.223 1.00 0.00 C ATOM 115 O LEU A 7 1.612 4.344 -7.952 1.00 0.00 O ATOM 116 CB LEU A 7 1.552 3.927 -4.903 1.00 0.00 C ATOM 117 CG LEU A 7 1.945 3.045 -3.716 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.113 2.143 -4.083 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.288 3.903 -2.510 1.00 0.00 C ATOM 0 H LEU A 7 2.430 2.002 -6.454 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.229 2.985 -5.649 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.457 4.355 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.950 4.758 -4.535 1.00 0.00 H new ATOM 0 HG LEU A 7 1.095 2.413 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.378 1.524 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.830 1.504 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.970 2.754 -4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.565 3.261 -1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.123 4.559 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.422 4.505 -2.234 1.00 0.00 H new ATOM 131 N ASN A 8 -0.561 4.631 -7.425 1.00 0.00 N ATOM 132 CA ASN A 8 -0.836 5.520 -8.547 1.00 0.00 C ATOM 133 C ASN A 8 -1.573 6.770 -8.076 1.00 0.00 C ATOM 134 O ASN A 8 -2.737 6.703 -7.681 1.00 0.00 O ATOM 135 CB ASN A 8 -1.658 4.795 -9.616 1.00 0.00 C ATOM 136 CG ASN A 8 -0.835 4.451 -10.843 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.302 4.585 -11.975 1.00 0.00 O ATOM 138 ND2 ASN A 8 0.397 4.005 -10.625 1.00 0.00 N ATOM 0 H ASN A 8 -1.366 4.449 -6.825 1.00 0.00 H new ATOM 0 HA ASN A 8 0.116 5.822 -8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.074 3.881 -9.193 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.500 5.422 -9.910 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.997 3.758 -11.412 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.743 3.909 -9.670 1.00 0.00 H new ATOM 145 N LEU A 9 -0.887 7.907 -8.121 1.00 0.00 N ATOM 146 CA LEU A 9 -1.481 9.172 -7.697 1.00 0.00 C ATOM 147 C LEU A 9 -1.810 10.049 -8.903 1.00 0.00 C ATOM 148 O LEU A 9 -2.730 10.866 -8.856 1.00 0.00 O ATOM 149 CB LEU A 9 -0.538 9.921 -6.733 1.00 0.00 C ATOM 150 CG LEU A 9 0.598 10.703 -7.402 1.00 0.00 C ATOM 151 CD1 LEU A 9 1.277 11.619 -6.396 1.00 0.00 C ATOM 152 CD2 LEU A 9 1.609 9.751 -8.022 1.00 0.00 C ATOM 0 H LEU A 9 0.077 7.980 -8.445 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.409 8.948 -7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.131 10.614 -6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.102 9.198 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 9 0.172 11.317 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.081 12.167 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.548 12.325 -5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.689 11.023 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.408 10.324 -8.492 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.030 9.111 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.115 9.134 -8.773 1.00 0.00 H new ATOM 213 N LYS A 13 4.694 6.558 -10.294 1.00 0.00 N ATOM 214 CA LYS A 13 4.316 5.219 -9.856 1.00 0.00 C ATOM 215 C LYS A 13 5.334 4.674 -8.858 1.00 0.00 C ATOM 216 O LYS A 13 6.546 4.803 -9.061 1.00 0.00 O ATOM 217 CB LYS A 13 4.216 4.274 -11.073 1.00 0.00 C ATOM 218 CG LYS A 13 5.511 4.150 -11.846 1.00 0.00 C ATOM 219 CD LYS A 13 5.315 4.467 -13.325 1.00 0.00 C ATOM 220 CE LYS A 13 6.115 3.526 -14.209 1.00 0.00 C ATOM 221 NZ LYS A 13 7.582 3.707 -14.031 1.00 0.00 N ATOM 0 HA LYS A 13 3.344 5.277 -9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.909 3.285 -10.732 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.436 4.637 -11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.254 4.827 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.904 3.139 -11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.257 4.392 -13.577 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.617 5.496 -13.520 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.846 2.495 -13.978 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.852 3.698 -15.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.091 3.046 -14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.844 4.683 -14.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.837 3.518 -13.041 1.00 0.00 H new ATOM 235 N GLU A 14 4.840 4.070 -7.791 1.00 0.00 N ATOM 236 CA GLU A 14 5.707 3.505 -6.760 1.00 0.00 C ATOM 237 C GLU A 14 5.402 2.025 -6.539 1.00 0.00 C ATOM 238 O GLU A 14 4.308 1.554 -6.848 1.00 0.00 O ATOM 239 CB GLU A 14 5.551 4.280 -5.449 1.00 0.00 C ATOM 240 CG GLU A 14 6.860 4.839 -4.914 1.00 0.00 C ATOM 241 CD GLU A 14 7.612 5.656 -5.948 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.960 6.199 -6.864 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.853 5.753 -5.840 1.00 0.00 O ATOM 0 H GLU A 14 3.842 3.956 -7.612 1.00 0.00 H new ATOM 0 HA GLU A 14 6.739 3.593 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.851 5.101 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.112 3.623 -4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.656 5.462 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.491 4.017 -4.577 1.00 0.00 H new ATOM 250 N GLU A 15 6.378 1.296 -6.005 1.00 0.00 N ATOM 251 CA GLU A 15 6.215 -0.133 -5.747 1.00 0.00 C ATOM 252 C GLU A 15 6.467 -0.460 -4.276 1.00 0.00 C ATOM 253 O GLU A 15 7.071 0.328 -3.548 1.00 0.00 O ATOM 254 CB GLU A 15 7.167 -0.941 -6.633 1.00 0.00 C ATOM 255 CG GLU A 15 7.244 -0.436 -8.065 1.00 0.00 C ATOM 256 CD GLU A 15 8.234 -1.215 -8.907 1.00 0.00 C ATOM 257 OE1 GLU A 15 7.828 -2.222 -9.523 1.00 0.00 O ATOM 258 OE2 GLU A 15 9.416 -0.818 -8.947 1.00 0.00 O ATOM 0 H GLU A 15 7.290 1.670 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 15 5.186 -0.403 -5.985 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.165 -0.918 -6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.846 -1.983 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.256 -0.499 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.527 0.617 -8.060 1.00 0.00 H new ATOM 265 N ALA A 16 6.004 -1.634 -3.850 1.00 0.00 N ATOM 266 CA ALA A 16 6.177 -2.081 -2.478 1.00 0.00 C ATOM 267 C ALA A 16 5.856 -3.566 -2.371 1.00 0.00 C ATOM 268 O ALA A 16 4.948 -4.063 -3.031 1.00 0.00 O ATOM 269 CB ALA A 16 5.278 -1.274 -1.532 1.00 0.00 C ATOM 0 H ALA A 16 5.503 -2.294 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 16 7.215 -1.921 -2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.421 -1.622 -0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.539 -0.218 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.235 -1.408 -1.819 1.00 0.00 H new ATOM 275 N ILE A 17 6.606 -4.267 -1.539 1.00 0.00 N ATOM 276 CA ILE A 17 6.398 -5.698 -1.347 1.00 0.00 C ATOM 277 C ILE A 17 6.491 -6.080 0.119 1.00 0.00 C ATOM 278 O ILE A 17 7.315 -5.543 0.859 1.00 0.00 O ATOM 279 CB ILE A 17 7.417 -6.541 -2.128 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.811 -5.914 -2.049 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.980 -6.703 -3.577 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.876 -6.714 -2.768 1.00 0.00 C ATOM 0 H ILE A 17 7.365 -3.872 -0.984 1.00 0.00 H new ATOM 0 HA ILE A 17 5.396 -5.906 -1.723 1.00 0.00 H new ATOM 0 HB ILE A 17 7.463 -7.530 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.774 -4.911 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.094 -5.807 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.715 -7.303 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.011 -7.200 -3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.901 -5.722 -4.045 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.838 -6.210 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.942 -7.710 -2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.617 -6.799 -3.823 1.00 0.00 H new ATOM 294 N LYS A 18 5.639 -7.009 0.534 1.00 0.00 N ATOM 295 CA LYS A 18 5.629 -7.452 1.921 1.00 0.00 C ATOM 296 C LYS A 18 5.336 -8.946 2.032 1.00 0.00 C ATOM 297 O LYS A 18 4.194 -9.380 1.884 1.00 0.00 O ATOM 298 CB LYS A 18 4.596 -6.648 2.707 1.00 0.00 C ATOM 299 CG LYS A 18 4.629 -5.164 2.384 1.00 0.00 C ATOM 300 CD LYS A 18 5.845 -4.471 2.985 1.00 0.00 C ATOM 301 CE LYS A 18 6.190 -3.201 2.223 1.00 0.00 C ATOM 302 NZ LYS A 18 7.195 -2.373 2.946 1.00 0.00 N ATOM 0 H LYS A 18 4.952 -7.467 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 18 6.620 -7.282 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.601 -7.039 2.494 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.771 -6.786 3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.634 -5.029 1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.721 -4.692 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.649 -4.229 4.030 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.698 -5.150 2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.577 -3.463 1.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.284 -2.616 2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.265 -1.439 2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.901 -2.257 3.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.122 -2.844 2.912 1.00 0.00 H new ATOM 316 N GLU A 19 6.377 -9.729 2.299 1.00 0.00 N ATOM 317 CA GLU A 19 6.233 -11.168 2.436 1.00 0.00 C ATOM 318 C GLU A 19 5.536 -11.532 3.744 1.00 0.00 C ATOM 319 O GLU A 19 6.083 -11.325 4.828 1.00 0.00 O ATOM 320 CB GLU A 19 7.607 -11.849 2.370 1.00 0.00 C ATOM 321 CG GLU A 19 7.657 -13.027 1.415 1.00 0.00 C ATOM 322 CD GLU A 19 9.036 -13.233 0.823 1.00 0.00 C ATOM 323 OE1 GLU A 19 9.728 -12.230 0.557 1.00 0.00 O ATOM 324 OE2 GLU A 19 9.425 -14.404 0.622 1.00 0.00 O ATOM 0 H GLU A 19 7.330 -9.387 2.424 1.00 0.00 H new ATOM 0 HA GLU A 19 5.616 -11.522 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.353 -11.114 2.067 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.883 -12.189 3.368 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.352 -13.931 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.939 -12.869 0.610 1.00 0.00 H new ATOM 331 N ALA A 20 4.321 -12.064 3.635 1.00 0.00 N ATOM 332 CA ALA A 20 3.547 -12.452 4.810 1.00 0.00 C ATOM 333 C ALA A 20 2.199 -13.043 4.408 1.00 0.00 C ATOM 334 O ALA A 20 1.825 -13.025 3.235 1.00 0.00 O ATOM 335 CB ALA A 20 3.346 -11.264 5.729 1.00 0.00 C ATOM 0 H ALA A 20 3.852 -12.236 2.746 1.00 0.00 H new ATOM 0 HA ALA A 20 4.109 -13.218 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.767 -11.571 6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.316 -10.886 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.810 -10.478 5.196 1.00 0.00 H new ATOM 341 N VAL A 21 1.475 -13.575 5.389 1.00 0.00 N ATOM 342 CA VAL A 21 0.166 -14.167 5.139 1.00 0.00 C ATOM 343 C VAL A 21 -0.949 -13.226 5.573 1.00 0.00 C ATOM 344 O VAL A 21 -1.938 -13.050 4.862 1.00 0.00 O ATOM 345 CB VAL A 21 0.007 -15.514 5.873 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.101 -15.320 7.380 1.00 0.00 C ATOM 347 CG2 VAL A 21 -1.311 -16.173 5.494 1.00 0.00 C ATOM 0 H VAL A 21 1.773 -13.608 6.364 1.00 0.00 H new ATOM 0 HA VAL A 21 0.095 -14.341 4.065 1.00 0.00 H new ATOM 0 HB VAL A 21 0.820 -16.172 5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.014 -16.282 7.879 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.072 -14.894 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.688 -14.644 7.710 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.408 -17.122 6.021 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.138 -15.519 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.333 -16.351 4.419 1.00 0.00 H new ATOM 357 N ASP A 22 -0.778 -12.617 6.742 1.00 0.00 N ATOM 358 CA ASP A 22 -1.763 -11.684 7.269 1.00 0.00 C ATOM 359 C ASP A 22 -1.834 -10.440 6.395 1.00 0.00 C ATOM 360 O ASP A 22 -1.126 -9.461 6.629 1.00 0.00 O ATOM 361 CB ASP A 22 -1.416 -11.296 8.707 1.00 0.00 C ATOM 362 CG ASP A 22 -2.589 -10.671 9.437 1.00 0.00 C ATOM 363 OD1 ASP A 22 -3.739 -11.086 9.179 1.00 0.00 O ATOM 364 OD2 ASP A 22 -2.358 -9.766 10.266 1.00 0.00 O ATOM 0 H ASP A 22 0.035 -12.754 7.342 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.737 -12.173 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.084 -12.181 9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.581 -10.595 8.700 1.00 0.00 H new ATOM 369 N ALA A 23 -2.687 -10.496 5.380 1.00 0.00 N ATOM 370 CA ALA A 23 -2.857 -9.385 4.446 1.00 0.00 C ATOM 371 C ALA A 23 -2.921 -8.040 5.164 1.00 0.00 C ATOM 372 O ALA A 23 -2.509 -7.015 4.619 1.00 0.00 O ATOM 373 CB ALA A 23 -4.108 -9.594 3.607 1.00 0.00 C ATOM 0 H ALA A 23 -3.277 -11.304 5.180 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.983 -9.366 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.225 -8.760 2.915 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.018 -10.523 3.044 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.979 -9.648 4.260 1.00 0.00 H new ATOM 379 N GLY A 24 -3.440 -8.046 6.387 1.00 0.00 N ATOM 380 CA GLY A 24 -3.544 -6.816 7.150 1.00 0.00 C ATOM 381 C GLY A 24 -2.188 -6.202 7.451 1.00 0.00 C ATOM 382 O GLY A 24 -2.065 -4.985 7.607 1.00 0.00 O ATOM 0 H GLY A 24 -3.790 -8.878 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.149 -6.099 6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.065 -7.016 8.086 1.00 0.00 H new ATOM 386 N ILE A 25 -1.167 -7.047 7.530 1.00 0.00 N ATOM 387 CA ILE A 25 0.183 -6.583 7.814 1.00 0.00 C ATOM 388 C ILE A 25 0.760 -5.826 6.621 1.00 0.00 C ATOM 389 O ILE A 25 1.432 -4.806 6.787 1.00 0.00 O ATOM 390 CB ILE A 25 1.119 -7.759 8.187 1.00 0.00 C ATOM 391 CG1 ILE A 25 0.732 -8.341 9.550 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.577 -7.310 8.204 1.00 0.00 C ATOM 393 CD1 ILE A 25 0.681 -7.309 10.657 1.00 0.00 C ATOM 0 H ILE A 25 -1.249 -8.056 7.401 1.00 0.00 H new ATOM 0 HA ILE A 25 0.119 -5.908 8.667 1.00 0.00 H new ATOM 0 HB ILE A 25 1.006 -8.533 7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.243 -8.821 9.467 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.448 -9.117 9.821 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.214 -8.154 8.469 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.855 -6.940 7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.704 -6.515 8.938 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.401 -7.793 11.593 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.661 -6.845 10.768 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.056 -6.545 10.409 1.00 0.00 H new ATOM 405 N ALA A 26 0.500 -6.324 5.415 1.00 0.00 N ATOM 406 CA ALA A 26 1.008 -5.673 4.219 1.00 0.00 C ATOM 407 C ALA A 26 0.365 -4.311 4.019 1.00 0.00 C ATOM 408 O ALA A 26 1.055 -3.329 3.758 1.00 0.00 O ATOM 409 CB ALA A 26 0.805 -6.532 2.986 1.00 0.00 C ATOM 0 H ALA A 26 -0.052 -7.165 5.244 1.00 0.00 H new ATOM 0 HA ALA A 26 2.079 -5.534 4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.197 -6.012 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.331 -7.479 3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.259 -6.724 2.847 1.00 0.00 H new ATOM 415 N GLU A 27 -0.961 -4.242 4.149 1.00 0.00 N ATOM 416 CA GLU A 27 -1.655 -2.967 3.983 1.00 0.00 C ATOM 417 C GLU A 27 -1.071 -1.942 4.945 1.00 0.00 C ATOM 418 O GLU A 27 -1.019 -0.750 4.644 1.00 0.00 O ATOM 419 CB GLU A 27 -3.164 -3.091 4.210 1.00 0.00 C ATOM 420 CG GLU A 27 -3.522 -3.667 5.559 1.00 0.00 C ATOM 421 CD GLU A 27 -4.983 -4.060 5.657 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.431 -4.890 4.838 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.681 -3.536 6.552 1.00 0.00 O ATOM 0 H GLU A 27 -1.564 -5.036 4.364 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.509 -2.644 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.621 -2.106 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.591 -3.721 3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.901 -4.541 5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.294 -2.936 6.334 1.00 0.00 H new ATOM 430 N LYS A 28 -0.610 -2.424 6.100 1.00 0.00 N ATOM 431 CA LYS A 28 -0.004 -1.555 7.101 1.00 0.00 C ATOM 432 C LYS A 28 1.278 -0.941 6.552 1.00 0.00 C ATOM 433 O LYS A 28 1.556 0.236 6.774 1.00 0.00 O ATOM 434 CB LYS A 28 0.293 -2.334 8.383 1.00 0.00 C ATOM 435 CG LYS A 28 -0.945 -2.929 9.033 1.00 0.00 C ATOM 436 CD LYS A 28 -1.337 -2.168 10.290 1.00 0.00 C ATOM 437 CE LYS A 28 -2.327 -1.055 9.984 1.00 0.00 C ATOM 438 NZ LYS A 28 -3.648 -1.296 10.627 1.00 0.00 N ATOM 0 H LYS A 28 -0.646 -3.409 6.362 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.708 -0.757 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.995 -3.136 8.157 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.785 -1.671 9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.773 -2.913 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.759 -3.974 9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.775 -2.857 11.012 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.445 -1.746 10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.923 -0.104 10.330 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.458 -0.972 8.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.295 -0.515 10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.046 -2.191 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.527 -1.350 11.659 1.00 0.00 H new ATOM 452 N TYR A 29 2.048 -1.744 5.819 1.00 0.00 N ATOM 453 CA TYR A 29 3.297 -1.272 5.221 1.00 0.00 C ATOM 454 C TYR A 29 3.030 -0.536 3.944 1.00 0.00 C ATOM 455 O TYR A 29 3.669 0.467 3.622 1.00 0.00 O ATOM 456 CB TYR A 29 4.222 -2.432 4.900 1.00 0.00 C ATOM 457 CG TYR A 29 5.295 -2.585 5.948 1.00 0.00 C ATOM 458 CD1 TYR A 29 5.948 -1.452 6.411 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.652 -3.815 6.478 1.00 0.00 C ATOM 460 CE1 TYR A 29 6.917 -1.529 7.362 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.633 -3.906 7.443 1.00 0.00 C ATOM 462 CZ TYR A 29 7.265 -2.758 7.885 1.00 0.00 C ATOM 463 OH TYR A 29 8.247 -2.842 8.849 1.00 0.00 O ATOM 0 H TYR A 29 1.830 -2.721 5.625 1.00 0.00 H new ATOM 0 HA TYR A 29 3.767 -0.610 5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.643 -3.353 4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.683 -2.273 3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.681 -0.487 6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.157 -4.711 6.132 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.412 -0.633 7.706 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.906 -4.868 7.851 1.00 0.00 H new ATOM 0 HH TYR A 29 8.369 -3.778 9.111 1.00 0.00 H new ATOM 473 N PHE A 30 2.068 -1.050 3.229 1.00 0.00 N ATOM 474 CA PHE A 30 1.660 -0.484 1.981 1.00 0.00 C ATOM 475 C PHE A 30 1.165 0.919 2.259 1.00 0.00 C ATOM 476 O PHE A 30 1.482 1.864 1.540 1.00 0.00 O ATOM 477 CB PHE A 30 0.575 -1.372 1.377 1.00 0.00 C ATOM 478 CG PHE A 30 1.074 -2.723 0.909 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.416 -2.970 0.668 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.177 -3.729 0.664 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.840 -4.193 0.194 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.588 -4.954 0.178 1.00 0.00 C ATOM 483 CZ PHE A 30 1.924 -5.182 -0.060 1.00 0.00 C ATOM 0 H PHE A 30 1.543 -1.881 3.502 1.00 0.00 H new ATOM 0 HA PHE A 30 2.478 -0.429 1.263 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.210 -1.523 2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.122 -0.851 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.141 -2.192 0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.873 -3.560 0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.891 -4.372 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.137 -5.731 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.250 -6.137 -0.446 1.00 0.00 H new ATOM 493 N LYS A 31 0.433 1.046 3.362 1.00 0.00 N ATOM 494 CA LYS A 31 -0.053 2.334 3.801 1.00 0.00 C ATOM 495 C LYS A 31 1.081 3.058 4.519 1.00 0.00 C ATOM 496 O LYS A 31 1.083 4.285 4.615 1.00 0.00 O ATOM 497 CB LYS A 31 -1.277 2.187 4.717 1.00 0.00 C ATOM 498 CG LYS A 31 -0.950 1.709 6.127 1.00 0.00 C ATOM 499 CD LYS A 31 -2.210 1.536 6.963 1.00 0.00 C ATOM 500 CE LYS A 31 -3.028 0.339 6.504 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.456 0.454 6.911 1.00 0.00 N ATOM 0 H LYS A 31 0.167 0.266 3.964 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.374 2.915 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.786 3.149 4.781 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.976 1.486 4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.413 0.762 6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.287 2.426 6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.937 1.411 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.817 2.439 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.966 0.251 5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.603 -0.573 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.980 -0.381 6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.518 0.513 7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.869 1.311 6.491 1.00 0.00 H new ATOM 515 N LEU A 32 2.070 2.284 4.999 1.00 0.00 N ATOM 516 CA LEU A 32 3.222 2.880 5.675 1.00 0.00 C ATOM 517 C LEU A 32 4.041 3.682 4.671 1.00 0.00 C ATOM 518 O LEU A 32 4.449 4.813 4.946 1.00 0.00 O ATOM 519 CB LEU A 32 4.095 1.822 6.368 1.00 0.00 C ATOM 520 CG LEU A 32 4.977 2.371 7.492 1.00 0.00 C ATOM 521 CD1 LEU A 32 4.133 3.106 8.521 1.00 0.00 C ATOM 522 CD2 LEU A 32 5.761 1.248 8.147 1.00 0.00 C ATOM 0 H LEU A 32 2.091 1.266 4.931 1.00 0.00 H new ATOM 0 HA LEU A 32 2.851 3.544 6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.449 1.045 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.732 1.347 5.621 1.00 0.00 H new ATOM 0 HG LEU A 32 5.685 3.079 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.777 3.489 9.313 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.615 3.936 8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.402 2.420 8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.383 1.655 8.944 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.069 0.517 8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.395 0.765 7.403 1.00 0.00 H new ATOM 534 N ILE A 33 4.256 3.103 3.491 1.00 0.00 N ATOM 535 CA ILE A 33 5.001 3.778 2.444 1.00 0.00 C ATOM 536 C ILE A 33 4.076 4.635 1.587 1.00 0.00 C ATOM 537 O ILE A 33 4.471 5.694 1.110 1.00 0.00 O ATOM 538 CB ILE A 33 5.756 2.784 1.537 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.604 3.538 0.504 1.00 0.00 C ATOM 540 CG2 ILE A 33 4.778 1.846 0.843 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.310 4.757 1.066 1.00 0.00 C ATOM 0 H ILE A 33 3.924 2.171 3.242 1.00 0.00 H new ATOM 0 HA ILE A 33 5.733 4.413 2.942 1.00 0.00 H new ATOM 0 HB ILE A 33 6.422 2.186 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.348 2.857 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.963 3.849 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.328 1.152 0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.217 1.286 1.592 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.087 2.427 0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.889 5.238 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.571 5.459 1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.977 4.452 1.872 1.00 0.00 H new ATOM 553 N ALA A 34 2.837 4.180 1.402 1.00 0.00 N ATOM 554 CA ALA A 34 1.875 4.934 0.612 1.00 0.00 C ATOM 555 C ALA A 34 1.651 6.309 1.230 1.00 0.00 C ATOM 556 O ALA A 34 1.345 7.276 0.532 1.00 0.00 O ATOM 557 CB ALA A 34 0.561 4.177 0.499 1.00 0.00 C ATOM 0 H ALA A 34 2.483 3.303 1.785 1.00 0.00 H new ATOM 0 HA ALA A 34 2.277 5.065 -0.393 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.144 4.758 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.736 3.215 0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.148 4.014 1.495 1.00 0.00 H new ATOM 563 N ASN A 35 1.824 6.387 2.547 1.00 0.00 N ATOM 564 CA ASN A 35 1.663 7.641 3.267 1.00 0.00 C ATOM 565 C ASN A 35 2.985 8.401 3.298 1.00 0.00 C ATOM 566 O ASN A 35 3.008 9.631 3.279 1.00 0.00 O ATOM 567 CB ASN A 35 1.174 7.380 4.692 1.00 0.00 C ATOM 568 CG ASN A 35 0.819 8.657 5.426 1.00 0.00 C ATOM 569 OD1 ASN A 35 1.448 9.010 6.424 1.00 0.00 O ATOM 570 ND2 ASN A 35 -0.196 9.360 4.935 1.00 0.00 N ATOM 0 H ASN A 35 2.076 5.593 3.136 1.00 0.00 H new ATOM 0 HA ASN A 35 0.919 8.246 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.301 6.729 4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.947 6.849 5.247 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.481 10.229 5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -0.690 9.031 4.106 1.00 0.00 H new ATOM 577 N ALA A 36 4.087 7.655 3.334 1.00 0.00 N ATOM 578 CA ALA A 36 5.416 8.254 3.354 1.00 0.00 C ATOM 579 C ALA A 36 5.805 8.762 1.969 1.00 0.00 C ATOM 580 O ALA A 36 6.437 9.810 1.835 1.00 0.00 O ATOM 581 CB ALA A 36 6.442 7.251 3.859 1.00 0.00 C ATOM 0 H ALA A 36 4.084 6.635 3.350 1.00 0.00 H new ATOM 0 HA ALA A 36 5.395 9.105 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.429 7.713 3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.179 6.938 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.455 6.381 3.202 1.00 0.00 H new ATOM 587 N LYS A 37 5.417 8.013 0.939 1.00 0.00 N ATOM 588 CA LYS A 37 5.721 8.395 -0.441 1.00 0.00 C ATOM 589 C LYS A 37 4.569 9.185 -1.055 1.00 0.00 C ATOM 590 O LYS A 37 4.756 10.302 -1.537 1.00 0.00 O ATOM 591 CB LYS A 37 6.027 7.170 -1.316 1.00 0.00 C ATOM 592 CG LYS A 37 7.449 6.660 -1.166 1.00 0.00 C ATOM 593 CD LYS A 37 8.385 7.308 -2.174 1.00 0.00 C ATOM 594 CE LYS A 37 9.736 7.629 -1.555 1.00 0.00 C ATOM 595 NZ LYS A 37 10.434 6.403 -1.078 1.00 0.00 N ATOM 0 H LYS A 37 4.894 7.142 1.031 1.00 0.00 H new ATOM 0 HA LYS A 37 6.610 9.025 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.333 6.369 -1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.849 7.426 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.804 6.863 -0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.464 5.578 -1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.523 6.641 -3.025 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.932 8.223 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.360 8.139 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.599 8.317 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.397 6.649 -0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.910 5.994 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.483 5.708 -1.851 1.00 0.00 H new ATOM 609 N THR A 38 3.377 8.592 -1.040 1.00 0.00 N ATOM 610 CA THR A 38 2.192 9.236 -1.602 1.00 0.00 C ATOM 611 C THR A 38 1.337 9.868 -0.505 1.00 0.00 C ATOM 612 O THR A 38 1.798 10.060 0.620 1.00 0.00 O ATOM 613 CB THR A 38 1.364 8.221 -2.399 1.00 0.00 C ATOM 614 OG1 THR A 38 2.026 6.971 -2.465 1.00 0.00 O ATOM 615 CG2 THR A 38 1.080 8.665 -3.817 1.00 0.00 C ATOM 0 H THR A 38 3.206 7.667 -0.645 1.00 0.00 H new ATOM 0 HA THR A 38 2.524 10.029 -2.273 1.00 0.00 H new ATOM 0 HB THR A 38 0.418 8.137 -1.864 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.666 6.449 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.491 7.902 -4.326 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.524 9.602 -3.800 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.021 8.811 -4.348 1.00 0.00 H new ATOM 623 N VAL A 39 0.089 10.193 -0.841 1.00 0.00 N ATOM 624 CA VAL A 39 -0.825 10.807 0.117 1.00 0.00 C ATOM 625 C VAL A 39 -1.991 9.878 0.450 1.00 0.00 C ATOM 626 O VAL A 39 -2.165 9.481 1.603 1.00 0.00 O ATOM 627 CB VAL A 39 -1.382 12.157 -0.393 1.00 0.00 C ATOM 628 CG1 VAL A 39 -0.564 13.313 0.163 1.00 0.00 C ATOM 629 CG2 VAL A 39 -1.411 12.204 -1.916 1.00 0.00 C ATOM 0 H VAL A 39 -0.310 10.041 -1.767 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.241 10.990 1.019 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.408 12.253 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.969 14.256 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.609 13.300 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.473 13.213 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.807 13.165 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.400 12.078 -2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.046 11.403 -2.293 1.00 0.00 H new ATOM 639 N GLU A 40 -2.789 9.532 -0.559 1.00 0.00 N ATOM 640 CA GLU A 40 -3.932 8.652 -0.367 1.00 0.00 C ATOM 641 C GLU A 40 -4.808 8.622 -1.612 1.00 0.00 C ATOM 642 O GLU A 40 -4.809 9.553 -2.417 1.00 0.00 O ATOM 643 CB GLU A 40 -4.763 9.092 0.842 1.00 0.00 C ATOM 644 CG GLU A 40 -4.775 8.076 1.974 1.00 0.00 C ATOM 645 CD GLU A 40 -6.178 7.654 2.366 1.00 0.00 C ATOM 646 OE1 GLU A 40 -6.717 6.724 1.729 1.00 0.00 O ATOM 647 OE2 GLU A 40 -6.735 8.253 3.309 1.00 0.00 O ATOM 0 H GLU A 40 -2.661 9.851 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 40 -3.549 7.648 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.371 10.037 1.217 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.788 9.277 0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.206 7.196 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.271 8.500 2.843 1.00 0.00 H new ATOM 654 N GLY A 41 -5.552 7.541 -1.747 1.00 0.00 N ATOM 655 CA GLY A 41 -6.445 7.367 -2.881 1.00 0.00 C ATOM 656 C GLY A 41 -7.354 6.166 -2.705 1.00 0.00 C ATOM 657 O GLY A 41 -7.605 5.736 -1.579 1.00 0.00 O ATOM 0 H GLY A 41 -5.557 6.766 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.050 8.265 -3.008 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.857 7.247 -3.791 1.00 0.00 H new ATOM 661 N VAL A 42 -7.841 5.611 -3.811 1.00 0.00 N ATOM 662 CA VAL A 42 -8.712 4.444 -3.746 1.00 0.00 C ATOM 663 C VAL A 42 -7.886 3.185 -3.512 1.00 0.00 C ATOM 664 O VAL A 42 -7.206 2.695 -4.413 1.00 0.00 O ATOM 665 CB VAL A 42 -9.555 4.276 -5.026 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.731 5.240 -5.019 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.701 4.478 -6.267 1.00 0.00 C ATOM 0 H VAL A 42 -7.649 5.947 -4.755 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.397 4.599 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.945 3.258 -5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.315 5.108 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.360 5.040 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.362 6.264 -4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.318 4.354 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.276 5.482 -6.257 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.896 3.743 -6.278 1.00 0.00 H new ATOM 677 N TRP A 43 -7.931 2.686 -2.284 1.00 0.00 N ATOM 678 CA TRP A 43 -7.180 1.514 -1.894 1.00 0.00 C ATOM 679 C TRP A 43 -7.902 0.224 -2.277 1.00 0.00 C ATOM 680 O TRP A 43 -9.095 0.065 -2.016 1.00 0.00 O ATOM 681 CB TRP A 43 -6.963 1.581 -0.389 1.00 0.00 C ATOM 682 CG TRP A 43 -5.663 2.226 0.003 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.432 3.571 0.135 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.416 1.577 0.306 1.00 0.00 C ATOM 685 NE1 TRP A 43 -4.128 3.793 0.498 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.486 2.591 0.612 1.00 0.00 C ATOM 687 CE3 TRP A 43 -3.984 0.245 0.353 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.168 2.313 0.955 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.672 -0.013 0.696 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.785 1.011 0.991 1.00 0.00 C ATOM 0 H TRP A 43 -8.492 3.088 -1.533 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.225 1.503 -2.420 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.785 2.135 0.064 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.996 0.571 0.020 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.170 4.344 -0.024 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.705 4.707 0.657 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.663 -0.563 0.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.472 3.106 1.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.329 -1.036 0.735 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.767 0.767 1.255 1.00 0.00 H new ATOM 701 N THR A 44 -7.165 -0.696 -2.893 1.00 0.00 N ATOM 702 CA THR A 44 -7.722 -1.979 -3.312 1.00 0.00 C ATOM 703 C THR A 44 -6.669 -3.080 -3.217 1.00 0.00 C ATOM 704 O THR A 44 -5.476 -2.822 -3.365 1.00 0.00 O ATOM 705 CB THR A 44 -8.252 -1.885 -4.744 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.412 -1.068 -5.538 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.653 -1.320 -4.828 1.00 0.00 C ATOM 0 H THR A 44 -6.176 -0.576 -3.114 1.00 0.00 H new ATOM 0 HA THR A 44 -8.547 -2.228 -2.644 1.00 0.00 H new ATOM 0 HB THR A 44 -8.268 -2.911 -5.113 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.500 -1.091 -5.180 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.968 -1.281 -5.871 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.336 -1.957 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.666 -0.315 -4.407 1.00 0.00 H new ATOM 715 N TYR A 45 -7.115 -4.308 -2.967 1.00 0.00 N ATOM 716 CA TYR A 45 -6.198 -5.442 -2.853 1.00 0.00 C ATOM 717 C TYR A 45 -6.757 -6.681 -3.549 1.00 0.00 C ATOM 718 O TYR A 45 -7.959 -6.945 -3.506 1.00 0.00 O ATOM 719 CB TYR A 45 -5.896 -5.745 -1.377 1.00 0.00 C ATOM 720 CG TYR A 45 -5.298 -7.116 -1.136 1.00 0.00 C ATOM 721 CD1 TYR A 45 -3.974 -7.385 -1.457 1.00 0.00 C ATOM 722 CD2 TYR A 45 -6.060 -8.139 -0.585 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.426 -8.634 -1.236 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.520 -9.390 -0.360 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.203 -9.633 -0.688 1.00 0.00 C ATOM 726 OH TYR A 45 -3.662 -10.878 -0.466 1.00 0.00 O ATOM 0 H TYR A 45 -8.099 -4.544 -2.840 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.268 -5.169 -3.351 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.210 -4.989 -0.995 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.819 -5.657 -0.803 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.363 -6.605 -1.886 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.092 -7.953 -0.328 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.394 -8.827 -1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.126 -10.174 0.070 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.001 -10.823 0.255 1.00 0.00 H new ATOM 736 N LYS A 46 -5.868 -7.442 -4.181 1.00 0.00 N ATOM 737 CA LYS A 46 -6.256 -8.660 -4.880 1.00 0.00 C ATOM 738 C LYS A 46 -5.791 -9.890 -4.106 1.00 0.00 C ATOM 739 O LYS A 46 -4.664 -9.936 -3.616 1.00 0.00 O ATOM 740 CB LYS A 46 -5.665 -8.677 -6.291 1.00 0.00 C ATOM 741 CG LYS A 46 -5.829 -7.362 -7.035 1.00 0.00 C ATOM 742 CD LYS A 46 -5.191 -7.419 -8.413 1.00 0.00 C ATOM 743 CE LYS A 46 -6.222 -7.710 -9.492 1.00 0.00 C ATOM 744 NZ LYS A 46 -5.921 -6.985 -10.758 1.00 0.00 N ATOM 0 H LYS A 46 -4.870 -7.234 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.343 -8.681 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.604 -8.920 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.141 -9.472 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.889 -7.128 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.377 -6.556 -6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.697 -6.471 -8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.421 -8.190 -8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.252 -8.782 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.211 -7.423 -9.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.647 -7.210 -11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.918 -5.961 -10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.988 -7.278 -11.112 1.00 0.00 H new ATOM 758 N ASP A 47 -6.667 -10.883 -3.996 1.00 0.00 N ATOM 759 CA ASP A 47 -6.343 -12.111 -3.276 1.00 0.00 C ATOM 760 C ASP A 47 -5.782 -13.168 -4.221 1.00 0.00 C ATOM 761 O ASP A 47 -4.997 -14.026 -3.815 1.00 0.00 O ATOM 762 CB ASP A 47 -7.583 -12.655 -2.565 1.00 0.00 C ATOM 763 CG ASP A 47 -7.282 -13.889 -1.738 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.115 -14.058 -1.334 1.00 0.00 O ATOM 765 OD2 ASP A 47 -8.216 -14.682 -1.494 1.00 0.00 O ATOM 0 H ASP A 47 -7.605 -10.863 -4.395 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.581 -11.873 -2.534 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.997 -11.881 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.347 -12.895 -3.305 1.00 0.00 H new ATOM 770 N GLU A 48 -6.196 -13.106 -5.481 1.00 0.00 N ATOM 771 CA GLU A 48 -5.744 -14.056 -6.487 1.00 0.00 C ATOM 772 C GLU A 48 -4.219 -14.134 -6.533 1.00 0.00 C ATOM 773 O GLU A 48 -3.652 -15.202 -6.780 1.00 0.00 O ATOM 774 CB GLU A 48 -6.286 -13.677 -7.865 1.00 0.00 C ATOM 775 CG GLU A 48 -6.601 -14.871 -8.748 1.00 0.00 C ATOM 776 CD GLU A 48 -8.032 -15.351 -8.597 1.00 0.00 C ATOM 777 OE1 GLU A 48 -8.534 -15.366 -7.453 1.00 0.00 O ATOM 778 OE2 GLU A 48 -8.650 -15.706 -9.622 1.00 0.00 O ATOM 0 H GLU A 48 -6.848 -12.403 -5.830 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.129 -15.037 -6.209 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.190 -13.082 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.556 -13.045 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.420 -14.605 -9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.921 -15.687 -8.504 1.00 0.00 H new ATOM 785 N ILE A 49 -3.556 -13.008 -6.299 1.00 0.00 N ATOM 786 CA ILE A 49 -2.098 -12.963 -6.318 1.00 0.00 C ATOM 787 C ILE A 49 -1.538 -12.115 -5.178 1.00 0.00 C ATOM 788 O ILE A 49 -0.354 -11.777 -5.173 1.00 0.00 O ATOM 789 CB ILE A 49 -1.568 -12.412 -7.658 1.00 0.00 C ATOM 790 CG1 ILE A 49 -2.076 -10.990 -7.893 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.970 -13.326 -8.807 1.00 0.00 C ATOM 792 CD1 ILE A 49 -3.558 -10.910 -8.189 1.00 0.00 C ATOM 0 H ILE A 49 -4.003 -12.115 -6.094 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.761 -13.992 -6.191 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.479 -12.381 -7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.858 -10.387 -7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.525 -10.550 -8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.588 -12.922 -9.744 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.554 -14.320 -8.644 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.057 -13.391 -8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.842 -9.869 -8.344 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.781 -11.485 -9.088 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.119 -11.318 -7.349 1.00 0.00 H new ATOM 804 N LYS A 50 -2.388 -11.778 -4.212 1.00 0.00 N ATOM 805 CA LYS A 50 -1.967 -10.971 -3.069 1.00 0.00 C ATOM 806 C LYS A 50 -1.216 -9.719 -3.521 1.00 0.00 C ATOM 807 O LYS A 50 0.014 -9.669 -3.476 1.00 0.00 O ATOM 808 CB LYS A 50 -1.081 -11.797 -2.137 1.00 0.00 C ATOM 809 CG LYS A 50 -1.741 -13.070 -1.643 1.00 0.00 C ATOM 810 CD LYS A 50 -1.207 -14.293 -2.374 1.00 0.00 C ATOM 811 CE LYS A 50 -2.307 -15.307 -2.630 1.00 0.00 C ATOM 812 NZ LYS A 50 -3.071 -15.627 -1.393 1.00 0.00 N ATOM 0 H LYS A 50 -3.371 -12.050 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.863 -10.658 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.159 -12.054 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.801 -11.186 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.567 -13.180 -0.573 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.819 -13.001 -1.786 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.763 -13.988 -3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.414 -14.754 -1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.989 -14.919 -3.387 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.871 -16.221 -3.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.307 -16.640 -1.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.493 -15.398 -0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.947 -15.067 -1.371 1.00 0.00 H new ATOM 826 N THR A 51 -1.964 -8.711 -3.959 1.00 0.00 N ATOM 827 CA THR A 51 -1.362 -7.465 -4.419 1.00 0.00 C ATOM 828 C THR A 51 -2.255 -6.269 -4.110 1.00 0.00 C ATOM 829 O THR A 51 -3.432 -6.249 -4.467 1.00 0.00 O ATOM 830 CB THR A 51 -1.085 -7.536 -5.921 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.266 -8.649 -6.229 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.401 -6.299 -6.463 1.00 0.00 C ATOM 0 H THR A 51 -2.983 -8.732 -4.005 1.00 0.00 H new ATOM 0 HA THR A 51 -0.421 -7.331 -3.885 1.00 0.00 H new ATOM 0 HB THR A 51 -2.065 -7.625 -6.390 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.102 -8.677 -7.195 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.234 -6.415 -7.534 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.032 -5.428 -6.287 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.556 -6.162 -5.959 1.00 0.00 H new ATOM 840 N PHE A 52 -1.679 -5.270 -3.449 1.00 0.00 N ATOM 841 CA PHE A 52 -2.409 -4.060 -3.094 1.00 0.00 C ATOM 842 C PHE A 52 -2.159 -2.968 -4.127 1.00 0.00 C ATOM 843 O PHE A 52 -1.057 -2.841 -4.660 1.00 0.00 O ATOM 844 CB PHE A 52 -1.988 -3.582 -1.706 1.00 0.00 C ATOM 845 CG PHE A 52 -3.001 -3.859 -0.633 1.00 0.00 C ATOM 846 CD1 PHE A 52 -3.991 -2.936 -0.346 1.00 0.00 C ATOM 847 CD2 PHE A 52 -2.957 -5.039 0.092 1.00 0.00 C ATOM 848 CE1 PHE A 52 -4.922 -3.182 0.644 1.00 0.00 C ATOM 849 CE2 PHE A 52 -3.885 -5.293 1.085 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.870 -4.363 1.361 1.00 0.00 C ATOM 0 H PHE A 52 -0.705 -5.276 -3.148 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.475 -4.286 -3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.048 -4.063 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.798 -2.509 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.036 -2.012 -0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.189 -5.768 -0.121 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.690 -2.453 0.858 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.840 -6.216 1.644 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.597 -4.559 2.135 1.00 0.00 H new ATOM 860 N THR A 53 -3.191 -2.192 -4.415 1.00 0.00 N ATOM 861 CA THR A 53 -3.085 -1.118 -5.400 1.00 0.00 C ATOM 862 C THR A 53 -3.907 0.108 -5.004 1.00 0.00 C ATOM 863 O THR A 53 -5.046 -0.014 -4.554 1.00 0.00 O ATOM 864 CB THR A 53 -3.535 -1.619 -6.773 1.00 0.00 C ATOM 865 OG1 THR A 53 -3.355 -3.019 -6.879 1.00 0.00 O ATOM 866 CG2 THR A 53 -2.791 -0.971 -7.920 1.00 0.00 C ATOM 0 H THR A 53 -4.111 -2.282 -3.984 1.00 0.00 H new ATOM 0 HA THR A 53 -2.038 -0.817 -5.441 1.00 0.00 H new ATOM 0 HB THR A 53 -4.589 -1.350 -6.848 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.650 -3.321 -7.764 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.159 -1.371 -8.865 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.952 0.107 -7.895 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.725 -1.181 -7.827 1.00 0.00 H new ATOM 874 N VAL A 54 -3.327 1.291 -5.203 1.00 0.00 N ATOM 875 CA VAL A 54 -4.015 2.544 -4.896 1.00 0.00 C ATOM 876 C VAL A 54 -4.074 3.441 -6.133 1.00 0.00 C ATOM 877 O VAL A 54 -3.132 3.481 -6.924 1.00 0.00 O ATOM 878 CB VAL A 54 -3.358 3.306 -3.710 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.684 4.602 -4.170 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.407 3.616 -2.643 1.00 0.00 C ATOM 0 H VAL A 54 -2.384 1.408 -5.575 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.029 2.284 -4.592 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.587 2.661 -3.289 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.237 5.104 -3.312 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.908 4.369 -4.899 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.427 5.256 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.938 4.150 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.193 4.235 -3.075 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.839 2.685 -2.276 1.00 0.00 H new ATOM 890 N THR A 55 -5.178 4.162 -6.290 1.00 0.00 N ATOM 891 CA THR A 55 -5.345 5.060 -7.428 1.00 0.00 C ATOM 892 C THR A 55 -5.811 6.437 -6.969 1.00 0.00 C ATOM 893 O THR A 55 -6.492 6.562 -5.951 1.00 0.00 O ATOM 894 CB THR A 55 -6.341 4.475 -8.430 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.419 3.067 -8.301 1.00 0.00 O ATOM 896 CG2 THR A 55 -5.991 4.786 -9.870 1.00 0.00 C ATOM 0 H THR A 55 -5.969 4.143 -5.646 1.00 0.00 H new ATOM 0 HA THR A 55 -4.377 5.169 -7.917 1.00 0.00 H new ATOM 0 HB THR A 55 -7.296 4.944 -8.194 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.063 2.714 -8.950 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.737 4.343 -10.530 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.974 5.866 -10.015 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.009 4.373 -10.103 1.00 0.00 H new ATOM 904 N GLU A 56 -5.434 7.466 -7.725 1.00 0.00 N ATOM 905 CA GLU A 56 -5.806 8.843 -7.403 1.00 0.00 C ATOM 906 C GLU A 56 -5.594 9.144 -5.920 1.00 0.00 C ATOM 907 O GLU A 56 -4.731 8.487 -5.301 1.00 0.00 O ATOM 908 CB GLU A 56 -7.264 9.109 -7.790 1.00 0.00 C ATOM 909 CG GLU A 56 -8.272 8.332 -6.960 1.00 0.00 C ATOM 910 CD GLU A 56 -9.648 8.969 -6.967 1.00 0.00 C ATOM 911 OE1 GLU A 56 -10.071 9.453 -8.038 1.00 0.00 O ATOM 912 OE2 GLU A 56 -10.302 8.982 -5.904 1.00 0.00 O ATOM 913 OXT GLU A 56 -6.294 10.033 -5.391 1.00 0.00 O ATOM 0 H GLU A 56 -4.869 7.372 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.159 9.504 -7.979 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.468 10.175 -7.688 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.402 8.857 -8.841 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.345 7.314 -7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.914 8.261 -5.933 1.00 0.00 H new