USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 1011 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 21 THR OG1 : rot 180:sc= -1.07 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -5.1! C(o=-5.1!,f=-11!) USER MOD Single : A 13 ASN : amide:sc= -0.88 K(o=-0.88,f=-5.5!) USER MOD Single : A 15 ASN : amide:sc= -0.293 K(o=-0.29,f=-2.1!) USER MOD Single : A 16 ASN : amide:sc= -4.59! C(o=-4.6!,f=-9.6!) USER MOD Single : A 28 HIS : no HD1:sc= -0.27 X(o=-0.27,f=-0.087) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.079) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= -0.444 (180deg=-0.873) USER MOD Single : A 42 MET CE :methyl -165:sc= -0.527 (180deg=-0.979) USER MOD Single : A 45 THR OG1 : rot 89:sc= 0.515 USER MOD Single : A 48 GLN : amide:sc= -0.401 X(o=-0.4,f=-0.018) USER MOD Single : A 55 GLN : amide:sc= -0.988 K(o=-0.99,f=-2.1!) USER MOD Single : A 61 THR OG1 : rot 21:sc= 1.2 USER MOD Single : A 63 GLN : amide:sc= -6.4! C(o=-6.4!,f=-11!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 0.0289 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -3.85 K(o=-3.8,f=-6.7!) USER MOD Single : A 81 THR OG1 : rot -150:sc= -2.22! USER MOD Single : A 97 LYS NZ :NH3+ 150:sc= -0.532 (180deg=-3.24!) USER MOD Single : A 100 GLN : amide:sc= -2.66! K(o=-2.7!,f=-5) USER MOD Single : A 105 MET CE :methyl -173:sc= -0.033 (180deg=-0.232) USER MOD Single : A 106 SER OG : rot 8:sc= 0.261 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 119 ASN : amide:sc= -3.89! C(o=-3.9!,f=-8.3!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -98:sc= -0.389 (180deg=-1.33!) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 14.688 11.091 3.757 1.00 0.00 N ATOM 43 CA LYS A 3 13.691 10.552 2.794 1.00 0.00 C ATOM 44 C LYS A 3 13.110 9.245 3.340 1.00 0.00 C ATOM 45 O LYS A 3 13.740 8.545 4.108 1.00 0.00 O ATOM 46 CB LYS A 3 14.358 10.284 1.445 1.00 0.00 C ATOM 47 CG LYS A 3 13.340 9.622 0.517 1.00 0.00 C ATOM 48 CD LYS A 3 13.854 9.651 -0.923 1.00 0.00 C ATOM 49 CE LYS A 3 14.630 8.365 -1.211 1.00 0.00 C ATOM 50 NZ LYS A 3 16.091 8.661 -1.226 1.00 0.00 N ATOM 0 HA LYS A 3 12.894 11.283 2.661 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.716 11.217 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.227 9.638 1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.165 8.592 0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.384 10.141 0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.019 9.748 -1.617 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.497 10.518 -1.074 1.00 0.00 H new ATOM 0 HE2 LYS A 3 14.407 7.615 -0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.322 7.949 -2.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.620 7.787 -1.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.295 9.363 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.378 9.040 -0.301 1.00 0.00 H new ATOM 64 N LEU A 4 11.912 8.912 2.943 1.00 0.00 N ATOM 65 CA LEU A 4 11.281 7.651 3.427 1.00 0.00 C ATOM 66 C LEU A 4 10.373 7.114 2.321 1.00 0.00 C ATOM 67 O LEU A 4 9.462 7.778 1.870 1.00 0.00 O ATOM 68 CB LEU A 4 10.484 7.944 4.722 1.00 0.00 C ATOM 69 CG LEU A 4 9.252 7.039 4.873 1.00 0.00 C ATOM 70 CD1 LEU A 4 8.111 7.568 4.007 1.00 0.00 C ATOM 71 CD2 LEU A 4 9.586 5.597 4.476 1.00 0.00 C ATOM 0 H LEU A 4 11.341 9.462 2.301 1.00 0.00 H new ATOM 0 HA LEU A 4 12.035 6.899 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.137 7.810 5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.167 8.987 4.721 1.00 0.00 H new ATOM 0 HG LEU A 4 8.944 7.045 5.918 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.240 6.922 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.855 8.580 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.422 7.580 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.699 4.973 4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.915 5.573 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.381 5.218 5.118 1.00 0.00 H new ATOM 83 N GLN A 5 10.613 5.911 1.879 1.00 0.00 N ATOM 84 CA GLN A 5 9.751 5.338 0.814 1.00 0.00 C ATOM 85 C GLN A 5 8.926 4.217 1.419 1.00 0.00 C ATOM 86 O GLN A 5 9.297 3.623 2.412 1.00 0.00 O ATOM 87 CB GLN A 5 10.600 4.797 -0.333 1.00 0.00 C ATOM 88 CG GLN A 5 11.443 5.940 -0.898 1.00 0.00 C ATOM 89 CD GLN A 5 12.840 5.907 -0.275 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.032 6.347 0.842 1.00 0.00 O ATOM 91 NE2 GLN A 5 13.834 5.403 -0.956 1.00 0.00 N ATOM 0 H GLN A 5 11.364 5.305 2.208 1.00 0.00 H new ATOM 0 HA GLN A 5 9.099 6.115 0.414 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.244 3.991 0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.962 4.378 -1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.515 5.850 -1.982 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.963 6.896 -0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.675 5.033 -1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.770 5.379 -0.551 1.00 0.00 H new ATOM 100 N ILE A 6 7.804 3.935 0.847 1.00 0.00 N ATOM 101 CA ILE A 6 6.949 2.870 1.411 1.00 0.00 C ATOM 102 C ILE A 6 6.698 1.806 0.348 1.00 0.00 C ATOM 103 O ILE A 6 6.126 2.068 -0.692 1.00 0.00 O ATOM 104 CB ILE A 6 5.645 3.518 1.872 1.00 0.00 C ATOM 105 CG1 ILE A 6 5.873 4.132 3.265 1.00 0.00 C ATOM 106 CG2 ILE A 6 4.513 2.486 1.921 1.00 0.00 C ATOM 107 CD1 ILE A 6 5.445 3.159 4.375 1.00 0.00 C ATOM 0 H ILE A 6 7.439 4.395 0.013 1.00 0.00 H new ATOM 0 HA ILE A 6 7.429 2.382 2.259 1.00 0.00 H new ATOM 0 HB ILE A 6 5.352 4.295 1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.926 4.386 3.386 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.309 5.060 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.594 2.970 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.363 2.063 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.776 1.691 2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.617 3.619 5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.386 2.926 4.266 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.028 2.241 4.299 1.00 0.00 H new ATOM 119 N ALA A 7 7.131 0.606 0.606 1.00 0.00 N ATOM 120 CA ALA A 7 6.931 -0.490 -0.373 1.00 0.00 C ATOM 121 C ALA A 7 5.554 -1.102 -0.149 1.00 0.00 C ATOM 122 O ALA A 7 5.425 -2.268 0.164 1.00 0.00 O ATOM 123 CB ALA A 7 8.002 -1.558 -0.159 1.00 0.00 C ATOM 0 H ALA A 7 7.619 0.337 1.461 1.00 0.00 H new ATOM 0 HA ALA A 7 7.004 -0.102 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.859 -2.366 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.989 -1.117 -0.301 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.924 -1.954 0.853 1.00 0.00 H new ATOM 129 N VAL A 8 4.523 -0.322 -0.293 1.00 0.00 N ATOM 130 CA VAL A 8 3.161 -0.871 -0.067 1.00 0.00 C ATOM 131 C VAL A 8 2.705 -1.665 -1.291 1.00 0.00 C ATOM 132 O VAL A 8 2.599 -2.870 -1.249 1.00 0.00 O ATOM 133 CB VAL A 8 2.162 0.266 0.223 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.447 1.478 -0.670 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.729 -0.228 -0.023 1.00 0.00 C ATOM 0 H VAL A 8 4.563 0.663 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 8 3.195 -1.535 0.797 1.00 0.00 H new ATOM 0 HB VAL A 8 2.273 0.566 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.730 2.269 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.457 1.840 -0.480 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.356 1.188 -1.717 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.026 0.579 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.626 -0.543 -1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.517 -1.071 0.634 1.00 0.00 H new ATOM 145 N GLY A 9 2.395 -1.019 -2.373 1.00 0.00 N ATOM 146 CA GLY A 9 1.908 -1.794 -3.532 1.00 0.00 C ATOM 147 C GLY A 9 0.656 -2.510 -3.069 1.00 0.00 C ATOM 148 O GLY A 9 0.679 -3.658 -2.674 1.00 0.00 O ATOM 0 H GLY A 9 2.456 -0.009 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.691 -1.138 -4.375 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.662 -2.506 -3.868 1.00 0.00 H new ATOM 152 N ILE A 10 -0.434 -1.810 -3.088 1.00 0.00 N ATOM 153 CA ILE A 10 -1.708 -2.408 -2.617 1.00 0.00 C ATOM 154 C ILE A 10 -1.848 -3.761 -3.274 1.00 0.00 C ATOM 155 O ILE A 10 -1.294 -4.011 -4.318 1.00 0.00 O ATOM 156 CB ILE A 10 -2.926 -1.532 -2.964 1.00 0.00 C ATOM 157 CG1 ILE A 10 -2.483 -0.134 -3.400 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.813 -1.403 -1.721 1.00 0.00 C ATOM 159 CD1 ILE A 10 -3.708 0.688 -3.803 1.00 0.00 C ATOM 0 H ILE A 10 -0.500 -0.845 -3.411 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.680 -2.493 -1.531 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.473 -2.000 -3.783 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.952 0.361 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.789 -0.206 -4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.679 -0.784 -1.955 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.147 -2.392 -1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.244 -0.941 -0.914 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.392 1.684 -4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.221 0.196 -4.630 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.386 0.771 -2.954 1.00 0.00 H new ATOM 171 N ILE A 11 -2.566 -4.645 -2.675 1.00 0.00 N ATOM 172 CA ILE A 11 -2.710 -5.980 -3.286 1.00 0.00 C ATOM 173 C ILE A 11 -4.174 -6.202 -3.647 1.00 0.00 C ATOM 174 O ILE A 11 -4.993 -6.491 -2.803 1.00 0.00 O ATOM 175 CB ILE A 11 -2.226 -7.037 -2.289 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.764 -6.698 -0.902 1.00 0.00 C ATOM 177 CG2 ILE A 11 -0.691 -7.028 -2.240 1.00 0.00 C ATOM 178 CD1 ILE A 11 -2.212 -7.697 0.115 1.00 0.00 C ATOM 0 H ILE A 11 -3.059 -4.506 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.111 -6.056 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.580 -8.020 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.475 -5.684 -0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.854 -6.730 -0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.345 -7.780 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.294 -7.253 -3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.343 -6.044 -1.925 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.595 -7.456 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.523 -8.705 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.123 -7.643 0.124 1.00 0.00 H new ATOM 190 N ARG A 12 -4.501 -6.062 -4.903 1.00 0.00 N ATOM 191 CA ARG A 12 -5.916 -6.258 -5.336 1.00 0.00 C ATOM 192 C ARG A 12 -6.184 -7.761 -5.373 1.00 0.00 C ATOM 193 O ARG A 12 -5.371 -8.535 -4.907 1.00 0.00 O ATOM 194 CB ARG A 12 -6.121 -5.630 -6.720 1.00 0.00 C ATOM 195 CG ARG A 12 -5.795 -4.134 -6.644 1.00 0.00 C ATOM 196 CD ARG A 12 -6.437 -3.375 -7.818 1.00 0.00 C ATOM 197 NE ARG A 12 -6.609 -4.301 -8.978 1.00 0.00 N ATOM 198 CZ ARG A 12 -7.354 -3.955 -9.991 1.00 0.00 C ATOM 199 NH1 ARG A 12 -8.063 -2.862 -9.938 1.00 0.00 N ATOM 200 NH2 ARG A 12 -7.379 -4.695 -11.065 1.00 0.00 N ATOM 0 H ARG A 12 -3.849 -5.820 -5.649 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.609 -5.777 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.479 -6.118 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.150 -5.775 -7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.156 -3.726 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.714 -3.991 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.403 -2.969 -7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.811 -2.530 -8.104 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.142 -5.208 -8.978 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.035 -2.276 -9.103 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.645 -2.593 -10.731 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.816 -5.544 -11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.962 -4.424 -11.857 1.00 0.00 H new ATOM 214 N ASN A 13 -7.314 -8.209 -5.852 1.00 0.00 N ATOM 215 CA ASN A 13 -7.532 -9.677 -5.793 1.00 0.00 C ATOM 216 C ASN A 13 -8.524 -10.214 -6.847 1.00 0.00 C ATOM 217 O ASN A 13 -8.150 -10.975 -7.679 1.00 0.00 O ATOM 218 CB ASN A 13 -7.998 -10.018 -4.368 1.00 0.00 C ATOM 219 CG ASN A 13 -9.031 -11.153 -4.369 1.00 0.00 C ATOM 220 OD1 ASN A 13 -10.213 -10.914 -4.224 1.00 0.00 O ATOM 221 ND2 ASN A 13 -8.627 -12.384 -4.527 1.00 0.00 N ATOM 0 H ASN A 13 -8.062 -7.650 -6.263 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.590 -10.171 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.139 -10.307 -3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.431 -9.132 -3.904 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.304 -13.147 -4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.634 -12.583 -4.649 1.00 0.00 H new ATOM 228 N GLU A 14 -9.779 -9.893 -6.809 1.00 0.00 N ATOM 229 CA GLU A 14 -10.707 -10.538 -7.804 1.00 0.00 C ATOM 230 C GLU A 14 -10.837 -9.701 -9.070 1.00 0.00 C ATOM 231 O GLU A 14 -10.968 -10.212 -10.164 1.00 0.00 O ATOM 232 CB GLU A 14 -12.080 -10.664 -7.143 1.00 0.00 C ATOM 233 CG GLU A 14 -13.142 -11.038 -8.184 1.00 0.00 C ATOM 234 CD GLU A 14 -12.968 -12.502 -8.589 1.00 0.00 C ATOM 235 OE1 GLU A 14 -12.450 -13.261 -7.786 1.00 0.00 O ATOM 236 OE2 GLU A 14 -13.357 -12.840 -9.694 1.00 0.00 O ATOM 0 H GLU A 14 -10.207 -9.234 -6.159 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.308 -11.512 -8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.046 -11.422 -6.361 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.348 -9.723 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.140 -10.879 -7.774 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.051 -10.395 -9.059 1.00 0.00 H new ATOM 243 N ASN A 15 -10.780 -8.441 -8.920 1.00 0.00 N ATOM 244 CA ASN A 15 -10.869 -7.520 -10.082 1.00 0.00 C ATOM 245 C ASN A 15 -10.316 -6.212 -9.583 1.00 0.00 C ATOM 246 O ASN A 15 -9.533 -5.539 -10.223 1.00 0.00 O ATOM 247 CB ASN A 15 -12.327 -7.349 -10.516 1.00 0.00 C ATOM 248 CG ASN A 15 -12.395 -6.370 -11.689 1.00 0.00 C ATOM 249 OD1 ASN A 15 -11.379 -5.986 -12.234 1.00 0.00 O ATOM 250 ND2 ASN A 15 -13.557 -5.944 -12.103 1.00 0.00 N ATOM 0 H ASN A 15 -10.672 -7.977 -8.018 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.322 -7.896 -10.947 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.747 -8.312 -10.807 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.925 -6.979 -9.683 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.612 -5.289 -12.883 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.410 -6.266 -11.646 1.00 0.00 H new ATOM 257 N ASN A 16 -10.706 -5.892 -8.392 1.00 0.00 N ATOM 258 CA ASN A 16 -10.227 -4.682 -7.730 1.00 0.00 C ATOM 259 C ASN A 16 -10.375 -4.931 -6.239 1.00 0.00 C ATOM 260 O ASN A 16 -10.642 -4.026 -5.475 1.00 0.00 O ATOM 261 CB ASN A 16 -11.076 -3.479 -8.158 1.00 0.00 C ATOM 262 CG ASN A 16 -10.202 -2.224 -8.233 1.00 0.00 C ATOM 263 OD1 ASN A 16 -10.048 -1.640 -9.288 1.00 0.00 O ATOM 264 ND2 ASN A 16 -9.626 -1.775 -7.151 1.00 0.00 N ATOM 0 H ASN A 16 -11.360 -6.445 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.192 -4.462 -7.993 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.533 -3.673 -9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.888 -3.325 -7.448 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.048 -0.936 -7.192 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.754 -2.264 -6.265 1.00 0.00 H new ATOM 271 N GLU A 17 -10.213 -6.168 -5.801 1.00 0.00 N ATOM 272 CA GLU A 17 -10.367 -6.419 -4.345 1.00 0.00 C ATOM 273 C GLU A 17 -9.013 -6.251 -3.682 1.00 0.00 C ATOM 274 O GLU A 17 -8.108 -7.028 -3.880 1.00 0.00 O ATOM 275 CB GLU A 17 -10.917 -7.820 -4.105 1.00 0.00 C ATOM 276 CG GLU A 17 -12.019 -8.109 -5.121 1.00 0.00 C ATOM 277 CD GLU A 17 -13.142 -7.081 -4.993 1.00 0.00 C ATOM 278 OE1 GLU A 17 -12.841 -5.899 -4.968 1.00 0.00 O ATOM 279 OE2 GLU A 17 -14.288 -7.494 -4.935 1.00 0.00 O ATOM 0 H GLU A 17 -9.989 -6.980 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.073 -5.708 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.119 -8.557 -4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.310 -7.900 -3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.608 -8.085 -6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.415 -9.112 -4.962 1.00 0.00 H new ATOM 286 N ILE A 18 -8.859 -5.211 -2.925 1.00 0.00 N ATOM 287 CA ILE A 18 -7.534 -4.959 -2.288 1.00 0.00 C ATOM 288 C ILE A 18 -7.533 -5.343 -0.814 1.00 0.00 C ATOM 289 O ILE A 18 -8.515 -5.210 -0.116 1.00 0.00 O ATOM 290 CB ILE A 18 -7.163 -3.471 -2.394 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.266 -2.683 -3.113 1.00 0.00 C ATOM 292 CG2 ILE A 18 -5.854 -3.334 -3.170 1.00 0.00 C ATOM 293 CD1 ILE A 18 -9.399 -2.376 -2.135 1.00 0.00 C ATOM 0 H ILE A 18 -9.584 -4.524 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.807 -5.574 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.048 -3.067 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.860 -1.756 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.647 -3.258 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.586 -2.280 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.063 -3.872 -2.647 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.978 -3.752 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.181 -1.816 -2.648 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.812 -3.309 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.013 -1.783 -1.306 1.00 0.00 H new ATOM 305 N PHE A 19 -6.402 -5.774 -0.326 1.00 0.00 N ATOM 306 CA PHE A 19 -6.289 -6.119 1.120 1.00 0.00 C ATOM 307 C PHE A 19 -6.068 -4.826 1.913 1.00 0.00 C ATOM 308 O PHE A 19 -5.299 -4.789 2.853 1.00 0.00 O ATOM 309 CB PHE A 19 -5.091 -7.051 1.329 1.00 0.00 C ATOM 310 CG PHE A 19 -5.168 -7.708 2.690 1.00 0.00 C ATOM 311 CD1 PHE A 19 -6.270 -8.502 3.024 1.00 0.00 C ATOM 312 CD2 PHE A 19 -4.126 -7.535 3.612 1.00 0.00 C ATOM 313 CE1 PHE A 19 -6.331 -9.126 4.277 1.00 0.00 C ATOM 314 CE2 PHE A 19 -4.191 -8.156 4.866 1.00 0.00 C ATOM 315 CZ PHE A 19 -5.291 -8.952 5.197 1.00 0.00 C ATOM 0 H PHE A 19 -5.548 -5.903 -0.869 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.198 -6.618 1.458 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.074 -7.813 0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.163 -6.486 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.074 -8.634 2.316 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.274 -6.923 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.181 -9.741 4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.390 -8.019 5.578 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.338 -9.433 6.163 1.00 0.00 H new ATOM 325 N ILE A 20 -6.720 -3.761 1.528 1.00 0.00 N ATOM 326 CA ILE A 20 -6.531 -2.472 2.236 1.00 0.00 C ATOM 327 C ILE A 20 -7.317 -2.459 3.529 1.00 0.00 C ATOM 328 O ILE A 20 -8.344 -3.084 3.655 1.00 0.00 O ATOM 329 CB ILE A 20 -7.045 -1.322 1.376 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.876 -0.003 2.137 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.528 -1.537 1.083 1.00 0.00 C ATOM 332 CD1 ILE A 20 -5.404 0.213 2.499 1.00 0.00 C ATOM 0 H ILE A 20 -7.378 -3.734 0.749 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.466 -2.356 2.438 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.482 -1.286 0.443 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.233 0.826 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.483 -0.017 3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.900 -0.717 0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.661 -2.479 0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.083 -1.569 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.296 1.153 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.060 -0.608 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.807 0.248 1.588 1.00 0.00 H new ATOM 344 N THR A 21 -6.850 -1.705 4.470 1.00 0.00 N ATOM 345 CA THR A 21 -7.564 -1.586 5.767 1.00 0.00 C ATOM 346 C THR A 21 -8.911 -0.906 5.513 1.00 0.00 C ATOM 347 O THR A 21 -9.040 0.297 5.624 1.00 0.00 O ATOM 348 CB THR A 21 -6.721 -0.732 6.702 1.00 0.00 C ATOM 349 OG1 THR A 21 -7.494 -0.352 7.830 1.00 0.00 O ATOM 350 CG2 THR A 21 -6.249 0.510 5.952 1.00 0.00 C ATOM 0 H THR A 21 -5.993 -1.157 4.399 1.00 0.00 H new ATOM 0 HA THR A 21 -7.728 -2.566 6.216 1.00 0.00 H new ATOM 0 HB THR A 21 -5.857 -1.302 7.043 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.948 0.197 8.431 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.644 1.128 6.616 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.652 0.210 5.091 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.114 1.081 5.613 1.00 0.00 H new ATOM 358 N ARG A 22 -9.908 -1.663 5.151 1.00 0.00 N ATOM 359 CA ARG A 22 -11.241 -1.064 4.862 1.00 0.00 C ATOM 360 C ARG A 22 -12.051 -0.964 6.153 1.00 0.00 C ATOM 361 O ARG A 22 -12.723 -1.898 6.540 1.00 0.00 O ATOM 362 CB ARG A 22 -11.976 -1.950 3.853 1.00 0.00 C ATOM 363 CG ARG A 22 -13.391 -1.415 3.631 1.00 0.00 C ATOM 364 CD ARG A 22 -13.325 -0.142 2.788 1.00 0.00 C ATOM 365 NE ARG A 22 -14.602 0.612 2.924 1.00 0.00 N ATOM 366 CZ ARG A 22 -14.663 1.858 2.547 1.00 0.00 C ATOM 367 NH1 ARG A 22 -14.066 2.782 3.250 1.00 0.00 N ATOM 368 NH2 ARG A 22 -15.311 2.181 1.461 1.00 0.00 N ATOM 0 H ARG A 22 -9.857 -2.676 5.042 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.115 -0.064 4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.432 -1.970 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.018 -2.976 4.219 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.001 -2.166 3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.867 -1.206 4.589 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.489 0.478 3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.149 -0.395 1.742 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.427 0.154 3.311 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.552 2.529 4.094 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.113 3.757 2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -15.770 1.458 0.907 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.358 3.156 1.166 1.00 0.00 H new ATOM 382 N ARG A 23 -11.985 0.171 6.811 1.00 0.00 N ATOM 383 CA ARG A 23 -12.735 0.378 8.092 1.00 0.00 C ATOM 384 C ARG A 23 -12.924 -0.954 8.820 1.00 0.00 C ATOM 385 O ARG A 23 -13.994 -1.530 8.803 1.00 0.00 O ATOM 386 CB ARG A 23 -14.113 1.012 7.828 1.00 0.00 C ATOM 387 CG ARG A 23 -14.441 1.024 6.331 1.00 0.00 C ATOM 388 CD ARG A 23 -15.961 1.033 6.144 1.00 0.00 C ATOM 389 NE ARG A 23 -16.494 -0.347 6.331 1.00 0.00 N ATOM 390 CZ ARG A 23 -17.771 -0.533 6.527 1.00 0.00 C ATOM 391 NH1 ARG A 23 -18.642 0.099 5.789 1.00 0.00 N ATOM 392 NH2 ARG A 23 -18.176 -1.353 7.458 1.00 0.00 N ATOM 0 H ARG A 23 -11.434 0.975 6.509 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.149 1.054 8.715 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.881 0.457 8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.127 2.031 8.214 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.000 1.901 5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.009 0.149 5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.422 1.712 6.861 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.213 1.400 5.149 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.860 -1.146 6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.325 0.738 5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.640 -0.046 5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -17.495 -1.849 8.033 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.174 -1.498 7.611 1.00 0.00 H new ATOM 406 N ALA A 24 -11.895 -1.449 9.456 1.00 0.00 N ATOM 407 CA ALA A 24 -12.020 -2.746 10.182 1.00 0.00 C ATOM 408 C ALA A 24 -13.356 -2.775 10.930 1.00 0.00 C ATOM 409 O ALA A 24 -14.099 -3.734 10.856 1.00 0.00 O ATOM 410 CB ALA A 24 -10.868 -2.886 11.181 1.00 0.00 C ATOM 0 H ALA A 24 -10.975 -1.012 9.504 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.981 -3.571 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.960 -3.834 11.711 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.918 -2.859 10.647 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.905 -2.065 11.897 1.00 0.00 H new ATOM 416 N ALA A 25 -13.672 -1.726 11.637 1.00 0.00 N ATOM 417 CA ALA A 25 -14.965 -1.682 12.374 1.00 0.00 C ATOM 418 C ALA A 25 -16.079 -1.288 11.402 1.00 0.00 C ATOM 419 O ALA A 25 -15.837 -0.652 10.395 1.00 0.00 O ATOM 420 CB ALA A 25 -14.872 -0.653 13.504 1.00 0.00 C ATOM 0 H ALA A 25 -13.089 -0.895 11.736 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.184 -2.661 12.801 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -15.818 -0.620 14.044 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.073 -0.936 14.189 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.659 0.330 13.084 1.00 0.00 H new ATOM 426 N ASP A 26 -17.295 -1.659 11.687 1.00 0.00 N ATOM 427 CA ASP A 26 -18.413 -1.302 10.767 1.00 0.00 C ATOM 428 C ASP A 26 -18.504 0.220 10.634 1.00 0.00 C ATOM 429 O ASP A 26 -19.161 0.881 11.413 1.00 0.00 O ATOM 430 CB ASP A 26 -19.730 -1.841 11.328 1.00 0.00 C ATOM 431 CG ASP A 26 -20.875 -1.474 10.383 1.00 0.00 C ATOM 432 OD1 ASP A 26 -20.590 -1.007 9.293 1.00 0.00 O ATOM 433 OD2 ASP A 26 -22.018 -1.667 10.765 1.00 0.00 O ATOM 0 H ASP A 26 -17.564 -2.192 12.514 1.00 0.00 H new ATOM 0 HA ASP A 26 -18.226 -1.742 9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.672 -2.923 11.444 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -19.914 -1.424 12.318 1.00 0.00 H new ATOM 438 N ALA A 27 -17.850 0.783 9.653 1.00 0.00 N ATOM 439 CA ALA A 27 -17.903 2.263 9.473 1.00 0.00 C ATOM 440 C ALA A 27 -18.946 2.622 8.420 1.00 0.00 C ATOM 441 O ALA A 27 -18.667 2.612 7.238 1.00 0.00 O ATOM 442 CB ALA A 27 -16.542 2.783 8.997 1.00 0.00 C ATOM 0 H ALA A 27 -17.282 0.283 8.969 1.00 0.00 H new ATOM 0 HA ALA A 27 -18.163 2.716 10.429 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.590 3.864 8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.780 2.539 9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.286 2.316 8.046 1.00 0.00 H new ATOM 448 N HIS A 28 -20.138 2.971 8.823 1.00 0.00 N ATOM 449 CA HIS A 28 -21.156 3.361 7.812 1.00 0.00 C ATOM 450 C HIS A 28 -20.499 4.373 6.876 1.00 0.00 C ATOM 451 O HIS A 28 -20.870 4.520 5.728 1.00 0.00 O ATOM 452 CB HIS A 28 -22.360 4.000 8.507 1.00 0.00 C ATOM 453 CG HIS A 28 -23.630 3.489 7.885 1.00 0.00 C ATOM 454 ND1 HIS A 28 -24.656 4.334 7.493 1.00 0.00 N ATOM 455 CD2 HIS A 28 -24.053 2.218 7.579 1.00 0.00 C ATOM 456 CE1 HIS A 28 -25.638 3.569 6.979 1.00 0.00 C ATOM 457 NE2 HIS A 28 -25.320 2.272 7.007 1.00 0.00 N ATOM 0 H HIS A 28 -20.446 3.002 9.795 1.00 0.00 H new ATOM 0 HA HIS A 28 -21.505 2.490 7.257 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -22.345 3.766 9.572 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -22.310 5.085 8.418 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -23.488 1.315 7.756 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -26.569 3.957 6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -25.885 1.489 6.679 1.00 0.00 H new ATOM 465 N MET A 29 -19.505 5.061 7.374 1.00 0.00 N ATOM 466 CA MET A 29 -18.779 6.063 6.551 1.00 0.00 C ATOM 467 C MET A 29 -17.919 5.345 5.518 1.00 0.00 C ATOM 468 O MET A 29 -18.044 4.156 5.303 1.00 0.00 O ATOM 469 CB MET A 29 -17.859 6.885 7.458 1.00 0.00 C ATOM 470 CG MET A 29 -18.679 7.952 8.185 1.00 0.00 C ATOM 471 SD MET A 29 -17.880 9.566 7.993 1.00 0.00 S ATOM 472 CE MET A 29 -19.219 10.375 7.083 1.00 0.00 C ATOM 0 H MET A 29 -19.163 4.967 8.331 1.00 0.00 H new ATOM 0 HA MET A 29 -19.500 6.711 6.052 1.00 0.00 H new ATOM 0 HB2 MET A 29 -17.367 6.234 8.181 1.00 0.00 H new ATOM 0 HB3 MET A 29 -17.073 7.355 6.867 1.00 0.00 H new ATOM 0 HG2 MET A 29 -19.691 7.985 7.781 1.00 0.00 H new ATOM 0 HG3 MET A 29 -18.766 7.701 9.242 1.00 0.00 H new ATOM 0 HE1 MET A 29 -18.935 11.403 6.855 1.00 0.00 H new ATOM 0 HE2 MET A 29 -19.405 9.836 6.154 1.00 0.00 H new ATOM 0 HE3 MET A 29 -20.124 10.375 7.691 1.00 0.00 H new ATOM 482 N ALA A 30 -17.032 6.061 4.891 1.00 0.00 N ATOM 483 CA ALA A 30 -16.144 5.435 3.885 1.00 0.00 C ATOM 484 C ALA A 30 -14.863 6.259 3.788 1.00 0.00 C ATOM 485 O ALA A 30 -14.508 6.971 4.707 1.00 0.00 O ATOM 486 CB ALA A 30 -16.849 5.398 2.537 1.00 0.00 C ATOM 0 H ALA A 30 -16.885 7.060 5.035 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.901 4.414 4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.195 4.937 1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.767 4.816 2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.091 6.414 2.225 1.00 0.00 H new ATOM 492 N ASN A 31 -14.153 6.163 2.698 1.00 0.00 N ATOM 493 CA ASN A 31 -12.886 6.938 2.574 1.00 0.00 C ATOM 494 C ASN A 31 -11.803 6.267 3.426 1.00 0.00 C ATOM 495 O ASN A 31 -10.670 6.701 3.457 1.00 0.00 O ATOM 496 CB ASN A 31 -13.112 8.366 3.075 1.00 0.00 C ATOM 497 CG ASN A 31 -12.312 9.347 2.217 1.00 0.00 C ATOM 498 OD1 ASN A 31 -12.860 10.009 1.356 1.00 0.00 O ATOM 499 ND2 ASN A 31 -11.029 9.476 2.420 1.00 0.00 N ATOM 0 H ASN A 31 -14.393 5.585 1.892 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.572 6.964 1.531 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -14.173 8.613 3.033 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.807 8.448 4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.487 10.131 1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.569 8.921 3.142 1.00 0.00 H new ATOM 506 N LYS A 32 -12.155 5.220 4.128 1.00 0.00 N ATOM 507 CA LYS A 32 -11.174 4.513 4.990 1.00 0.00 C ATOM 508 C LYS A 32 -10.337 3.531 4.151 1.00 0.00 C ATOM 509 O LYS A 32 -10.331 2.342 4.396 1.00 0.00 O ATOM 510 CB LYS A 32 -11.953 3.752 6.060 1.00 0.00 C ATOM 511 CG LYS A 32 -11.223 3.843 7.400 1.00 0.00 C ATOM 512 CD LYS A 32 -9.737 3.543 7.203 1.00 0.00 C ATOM 513 CE LYS A 32 -9.137 3.080 8.533 1.00 0.00 C ATOM 514 NZ LYS A 32 -7.657 3.239 8.494 1.00 0.00 N ATOM 0 H LYS A 32 -13.095 4.824 4.137 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.494 5.229 5.451 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.957 4.166 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.065 2.708 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.349 4.838 7.826 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.655 3.136 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.607 2.772 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.218 4.433 6.846 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.554 3.663 9.354 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.396 2.038 8.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.250 2.924 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.266 2.665 7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.419 4.239 8.337 1.00 0.00 H new ATOM 528 N LEU A 33 -9.632 4.025 3.169 1.00 0.00 N ATOM 529 CA LEU A 33 -8.789 3.135 2.309 1.00 0.00 C ATOM 530 C LEU A 33 -7.335 3.625 2.375 1.00 0.00 C ATOM 531 O LEU A 33 -6.888 4.380 1.546 1.00 0.00 O ATOM 532 CB LEU A 33 -9.307 3.208 0.856 1.00 0.00 C ATOM 533 CG LEU A 33 -10.624 2.435 0.727 1.00 0.00 C ATOM 534 CD1 LEU A 33 -10.900 2.168 -0.752 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.526 1.100 1.470 1.00 0.00 C ATOM 0 H LEU A 33 -9.602 5.014 2.921 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.841 2.103 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.457 4.248 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.564 2.792 0.175 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.432 3.025 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.836 1.618 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.976 3.116 -1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.085 1.579 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.467 0.559 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.719 0.504 1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.322 1.285 2.525 1.00 0.00 H new ATOM 547 N GLU A 34 -6.585 3.212 3.355 1.00 0.00 N ATOM 548 CA GLU A 34 -5.175 3.691 3.441 1.00 0.00 C ATOM 549 C GLU A 34 -4.301 2.874 2.489 1.00 0.00 C ATOM 550 O GLU A 34 -4.693 2.584 1.377 1.00 0.00 O ATOM 551 CB GLU A 34 -4.671 3.539 4.876 1.00 0.00 C ATOM 552 CG GLU A 34 -3.557 4.557 5.131 1.00 0.00 C ATOM 553 CD GLU A 34 -2.399 3.877 5.863 1.00 0.00 C ATOM 554 OE1 GLU A 34 -2.440 2.666 6.005 1.00 0.00 O ATOM 555 OE2 GLU A 34 -1.488 4.581 6.270 1.00 0.00 O ATOM 0 H GLU A 34 -6.879 2.572 4.093 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.127 4.742 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.489 3.694 5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.299 2.527 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.208 4.974 4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.938 5.388 5.725 1.00 0.00 H new ATOM 562 N PHE A 35 -3.122 2.499 2.907 1.00 0.00 N ATOM 563 CA PHE A 35 -2.245 1.697 2.016 1.00 0.00 C ATOM 564 C PHE A 35 -1.282 0.866 2.863 1.00 0.00 C ATOM 565 O PHE A 35 -0.547 1.404 3.666 1.00 0.00 O ATOM 566 CB PHE A 35 -1.440 2.629 1.109 1.00 0.00 C ATOM 567 CG PHE A 35 -2.349 3.218 0.062 1.00 0.00 C ATOM 568 CD1 PHE A 35 -3.171 2.382 -0.702 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.372 4.601 -0.142 1.00 0.00 C ATOM 570 CE1 PHE A 35 -4.016 2.931 -1.673 1.00 0.00 C ATOM 571 CE2 PHE A 35 -3.216 5.150 -1.112 1.00 0.00 C ATOM 572 CZ PHE A 35 -4.039 4.316 -1.877 1.00 0.00 C ATOM 0 H PHE A 35 -2.732 2.714 3.825 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.861 1.038 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.984 3.424 1.699 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.628 2.079 0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.153 1.314 -0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.738 5.245 0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.650 2.287 -2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.233 6.218 -1.271 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.692 4.741 -2.625 1.00 0.00 H new ATOM 582 N PRO A 36 -1.305 -0.425 2.651 1.00 0.00 N ATOM 583 CA PRO A 36 -0.425 -1.347 3.381 1.00 0.00 C ATOM 584 C PRO A 36 1.037 -0.959 3.136 1.00 0.00 C ATOM 585 O PRO A 36 1.666 -1.430 2.211 1.00 0.00 O ATOM 586 CB PRO A 36 -0.740 -2.729 2.792 1.00 0.00 C ATOM 587 CG PRO A 36 -1.727 -2.521 1.613 1.00 0.00 C ATOM 588 CD PRO A 36 -2.200 -1.068 1.670 1.00 0.00 C ATOM 0 HA PRO A 36 -0.580 -1.327 4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.172 -3.215 2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.180 -3.377 3.550 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.239 -2.730 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.572 -3.204 1.694 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.128 -0.589 0.694 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.243 -1.002 1.981 1.00 0.00 H new ATOM 596 N GLY A 37 1.570 -0.086 3.951 1.00 0.00 N ATOM 597 CA GLY A 37 2.982 0.364 3.768 1.00 0.00 C ATOM 598 C GLY A 37 3.944 -0.829 3.792 1.00 0.00 C ATOM 599 O GLY A 37 3.667 -1.890 3.269 1.00 0.00 O ATOM 0 H GLY A 37 1.084 0.337 4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.079 0.895 2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.249 1.067 4.557 1.00 0.00 H new ATOM 603 N GLY A 38 5.084 -0.644 4.397 1.00 0.00 N ATOM 604 CA GLY A 38 6.098 -1.731 4.472 1.00 0.00 C ATOM 605 C GLY A 38 7.448 -1.106 4.829 1.00 0.00 C ATOM 606 O GLY A 38 8.071 -1.484 5.802 1.00 0.00 O ATOM 0 H GLY A 38 5.359 0.228 4.849 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.810 -2.467 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.163 -2.256 3.519 1.00 0.00 H new ATOM 610 N LYS A 39 7.872 -0.141 4.034 1.00 0.00 N ATOM 611 CA LYS A 39 9.168 0.586 4.246 1.00 0.00 C ATOM 612 C LYS A 39 10.255 0.013 3.334 1.00 0.00 C ATOM 613 O LYS A 39 11.191 -0.614 3.791 1.00 0.00 O ATOM 614 CB LYS A 39 9.648 0.490 5.696 1.00 0.00 C ATOM 615 CG LYS A 39 10.931 1.308 5.847 1.00 0.00 C ATOM 616 CD LYS A 39 10.638 2.779 5.543 1.00 0.00 C ATOM 617 CE LYS A 39 11.614 3.279 4.474 1.00 0.00 C ATOM 618 NZ LYS A 39 12.613 4.192 5.099 1.00 0.00 N ATOM 0 H LYS A 39 7.350 0.180 3.219 1.00 0.00 H new ATOM 0 HA LYS A 39 8.985 1.634 4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.880 0.864 6.373 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.830 -0.550 5.965 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.323 1.206 6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.697 0.931 5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.611 2.893 5.196 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.736 3.376 6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.120 2.435 4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.071 3.802 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.924 4.897 4.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.180 4.677 5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.433 3.640 5.423 1.00 0.00 H new ATOM 632 N ILE A 40 10.156 0.232 2.052 1.00 0.00 N ATOM 633 CA ILE A 40 11.209 -0.302 1.139 1.00 0.00 C ATOM 634 C ILE A 40 12.570 0.176 1.631 1.00 0.00 C ATOM 635 O ILE A 40 12.816 1.357 1.777 1.00 0.00 O ATOM 636 CB ILE A 40 10.965 0.156 -0.307 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.306 0.336 -1.059 1.00 0.00 C ATOM 638 CG2 ILE A 40 10.163 1.464 -0.327 1.00 0.00 C ATOM 639 CD1 ILE A 40 12.810 1.780 -0.943 1.00 0.00 C ATOM 0 H ILE A 40 9.403 0.750 1.600 1.00 0.00 H new ATOM 0 HA ILE A 40 11.177 -1.391 1.147 1.00 0.00 H new ATOM 0 HB ILE A 40 10.387 -0.615 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.051 -0.347 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.176 0.075 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.999 1.774 -1.359 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.202 1.309 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.718 2.239 0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.753 1.880 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.073 2.458 -1.374 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.962 2.029 0.107 1.00 0.00 H new ATOM 651 N GLU A 41 13.449 -0.741 1.888 1.00 0.00 N ATOM 652 CA GLU A 41 14.801 -0.355 2.376 1.00 0.00 C ATOM 653 C GLU A 41 15.722 -1.584 2.450 1.00 0.00 C ATOM 654 O GLU A 41 16.930 -1.458 2.442 1.00 0.00 O ATOM 655 CB GLU A 41 14.667 0.283 3.760 1.00 0.00 C ATOM 656 CG GLU A 41 14.397 -0.801 4.808 1.00 0.00 C ATOM 657 CD GLU A 41 14.527 -0.202 6.208 1.00 0.00 C ATOM 658 OE1 GLU A 41 13.768 0.702 6.517 1.00 0.00 O ATOM 659 OE2 GLU A 41 15.382 -0.656 6.949 1.00 0.00 O ATOM 0 H GLU A 41 13.294 -1.744 1.783 1.00 0.00 H new ATOM 0 HA GLU A 41 15.243 0.359 1.681 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.579 0.825 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.855 1.010 3.758 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.398 -1.215 4.669 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.102 -1.623 4.686 1.00 0.00 H new ATOM 666 N MET A 42 15.164 -2.768 2.542 1.00 0.00 N ATOM 667 CA MET A 42 16.004 -4.000 2.637 1.00 0.00 C ATOM 668 C MET A 42 17.225 -3.877 1.724 1.00 0.00 C ATOM 669 O MET A 42 18.309 -3.551 2.166 1.00 0.00 O ATOM 670 CB MET A 42 15.175 -5.211 2.200 1.00 0.00 C ATOM 671 CG MET A 42 14.942 -6.133 3.397 1.00 0.00 C ATOM 672 SD MET A 42 13.272 -5.867 4.041 1.00 0.00 S ATOM 673 CE MET A 42 13.753 -5.016 5.563 1.00 0.00 C ATOM 0 H MET A 42 14.157 -2.932 2.555 1.00 0.00 H new ATOM 0 HA MET A 42 16.337 -4.124 3.668 1.00 0.00 H new ATOM 0 HB2 MET A 42 14.220 -4.882 1.791 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.692 -5.751 1.407 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.068 -7.174 3.099 1.00 0.00 H new ATOM 0 HG3 MET A 42 15.680 -5.933 4.174 1.00 0.00 H new ATOM 0 HE1 MET A 42 12.906 -4.989 6.248 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.582 -5.548 6.031 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.062 -3.997 5.328 1.00 0.00 H new ATOM 683 N GLY A 43 17.062 -4.136 0.458 1.00 0.00 N ATOM 684 CA GLY A 43 18.217 -4.032 -0.473 1.00 0.00 C ATOM 685 C GLY A 43 18.299 -2.610 -1.020 1.00 0.00 C ATOM 686 O GLY A 43 18.387 -1.650 -0.282 1.00 0.00 O ATOM 0 H GLY A 43 16.180 -4.415 0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 43 19.141 -4.288 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.104 -4.743 -1.292 1.00 0.00 H new ATOM 690 N GLU A 44 18.262 -2.473 -2.312 1.00 0.00 N ATOM 691 CA GLU A 44 18.329 -1.120 -2.924 1.00 0.00 C ATOM 692 C GLU A 44 17.391 -1.069 -4.131 1.00 0.00 C ATOM 693 O GLU A 44 17.389 -0.122 -4.890 1.00 0.00 O ATOM 694 CB GLU A 44 19.765 -0.820 -3.372 1.00 0.00 C ATOM 695 CG GLU A 44 20.480 -2.122 -3.743 1.00 0.00 C ATOM 696 CD GLU A 44 19.942 -2.640 -5.078 1.00 0.00 C ATOM 697 OE1 GLU A 44 19.984 -1.891 -6.041 1.00 0.00 O ATOM 698 OE2 GLU A 44 19.501 -3.776 -5.116 1.00 0.00 O ATOM 0 H GLU A 44 18.188 -3.244 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 44 18.025 -0.374 -2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.754 -0.145 -4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.306 -0.313 -2.573 1.00 0.00 H new ATOM 0 HG2 GLU A 44 21.554 -1.951 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.326 -2.868 -2.963 1.00 0.00 H new ATOM 705 N THR A 45 16.589 -2.087 -4.307 1.00 0.00 N ATOM 706 CA THR A 45 15.645 -2.111 -5.454 1.00 0.00 C ATOM 707 C THR A 45 14.242 -2.353 -4.901 1.00 0.00 C ATOM 708 O THR A 45 14.085 -3.109 -3.973 1.00 0.00 O ATOM 709 CB THR A 45 16.043 -3.258 -6.389 1.00 0.00 C ATOM 710 OG1 THR A 45 17.401 -3.092 -6.782 1.00 0.00 O ATOM 711 CG2 THR A 45 15.148 -3.261 -7.631 1.00 0.00 C ATOM 0 H THR A 45 16.550 -2.906 -3.700 1.00 0.00 H new ATOM 0 HA THR A 45 15.670 -1.172 -6.006 1.00 0.00 H new ATOM 0 HB THR A 45 15.923 -4.206 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.986 -3.532 -6.130 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.440 -4.080 -8.288 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.108 -3.390 -7.330 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.257 -2.315 -8.161 1.00 0.00 H new ATOM 719 N PRO A 46 13.259 -1.715 -5.478 1.00 0.00 N ATOM 720 CA PRO A 46 11.865 -1.875 -5.026 1.00 0.00 C ATOM 721 C PRO A 46 11.492 -3.356 -4.970 1.00 0.00 C ATOM 722 O PRO A 46 10.520 -3.730 -4.353 1.00 0.00 O ATOM 723 CB PRO A 46 11.029 -1.123 -6.064 1.00 0.00 C ATOM 724 CG PRO A 46 12.014 -0.394 -7.017 1.00 0.00 C ATOM 725 CD PRO A 46 13.442 -0.798 -6.615 1.00 0.00 C ATOM 0 HA PRO A 46 11.701 -1.484 -4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.397 -1.815 -6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.366 -0.408 -5.577 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.817 -0.669 -8.053 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.888 0.686 -6.944 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.963 -1.286 -7.439 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.036 0.071 -6.332 1.00 0.00 H new ATOM 733 N GLU A 47 12.263 -4.208 -5.591 1.00 0.00 N ATOM 734 CA GLU A 47 11.946 -5.659 -5.537 1.00 0.00 C ATOM 735 C GLU A 47 12.349 -6.196 -4.165 1.00 0.00 C ATOM 736 O GLU A 47 11.538 -6.332 -3.290 1.00 0.00 O ATOM 737 CB GLU A 47 12.726 -6.404 -6.623 1.00 0.00 C ATOM 738 CG GLU A 47 11.751 -7.133 -7.545 1.00 0.00 C ATOM 739 CD GLU A 47 12.533 -8.017 -8.518 1.00 0.00 C ATOM 740 OE1 GLU A 47 12.990 -9.067 -8.099 1.00 0.00 O ATOM 741 OE2 GLU A 47 12.662 -7.628 -9.667 1.00 0.00 O ATOM 0 H GLU A 47 13.093 -3.961 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 47 10.879 -5.808 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.330 -5.702 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.413 -7.117 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.063 -7.741 -6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.147 -6.412 -8.097 1.00 0.00 H new ATOM 748 N GLN A 48 13.595 -6.496 -3.955 1.00 0.00 N ATOM 749 CA GLN A 48 13.998 -7.014 -2.617 1.00 0.00 C ATOM 750 C GLN A 48 13.406 -6.130 -1.533 1.00 0.00 C ATOM 751 O GLN A 48 13.035 -6.586 -0.481 1.00 0.00 O ATOM 752 CB GLN A 48 15.516 -6.994 -2.472 1.00 0.00 C ATOM 753 CG GLN A 48 16.083 -8.315 -2.979 1.00 0.00 C ATOM 754 CD GLN A 48 16.914 -8.974 -1.876 1.00 0.00 C ATOM 755 OE1 GLN A 48 17.864 -8.395 -1.384 1.00 0.00 O ATOM 756 NE2 GLN A 48 16.596 -10.170 -1.463 1.00 0.00 N ATOM 0 H GLN A 48 14.346 -6.408 -4.639 1.00 0.00 H new ATOM 0 HA GLN A 48 13.634 -8.037 -2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.937 -6.163 -3.037 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.792 -6.842 -1.429 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.272 -8.978 -3.283 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.701 -8.143 -3.860 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.800 -10.657 -1.875 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.144 -10.618 -0.729 1.00 0.00 H new ATOM 765 N ALA A 49 13.333 -4.865 -1.776 1.00 0.00 N ATOM 766 CA ALA A 49 12.783 -3.948 -0.752 1.00 0.00 C ATOM 767 C ALA A 49 11.329 -4.300 -0.459 1.00 0.00 C ATOM 768 O ALA A 49 10.991 -4.673 0.634 1.00 0.00 O ATOM 769 CB ALA A 49 12.860 -2.515 -1.264 1.00 0.00 C ATOM 0 H ALA A 49 13.631 -4.420 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 49 13.366 -4.047 0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.456 -1.838 -0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.900 -2.256 -1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.280 -2.425 -2.182 1.00 0.00 H new ATOM 775 N VAL A 50 10.467 -4.164 -1.423 1.00 0.00 N ATOM 776 CA VAL A 50 9.024 -4.466 -1.186 1.00 0.00 C ATOM 777 C VAL A 50 8.812 -5.971 -0.988 1.00 0.00 C ATOM 778 O VAL A 50 8.168 -6.403 -0.056 1.00 0.00 O ATOM 779 CB VAL A 50 8.211 -3.959 -2.385 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.168 -5.008 -3.502 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.790 -3.658 -1.933 1.00 0.00 C ATOM 0 H VAL A 50 10.696 -3.856 -2.368 1.00 0.00 H new ATOM 0 HA VAL A 50 8.690 -3.963 -0.278 1.00 0.00 H new ATOM 0 HB VAL A 50 8.688 -3.058 -2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.586 -4.624 -4.340 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.183 -5.227 -3.835 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.705 -5.920 -3.127 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.207 -3.297 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.334 -4.566 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.810 -2.895 -1.155 1.00 0.00 H new ATOM 791 N VAL A 51 9.340 -6.754 -1.871 1.00 0.00 N ATOM 792 CA VAL A 51 9.191 -8.234 -1.790 1.00 0.00 C ATOM 793 C VAL A 51 9.697 -8.751 -0.432 1.00 0.00 C ATOM 794 O VAL A 51 9.134 -9.663 0.141 1.00 0.00 O ATOM 795 CB VAL A 51 10.004 -8.859 -2.930 1.00 0.00 C ATOM 796 CG1 VAL A 51 11.478 -8.915 -2.543 1.00 0.00 C ATOM 797 CG2 VAL A 51 9.504 -10.273 -3.210 1.00 0.00 C ATOM 0 H VAL A 51 9.884 -6.428 -2.669 1.00 0.00 H new ATOM 0 HA VAL A 51 8.140 -8.508 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 51 9.885 -8.248 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.051 -9.360 -3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.843 -7.906 -2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.595 -9.519 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.086 -10.711 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.615 -10.883 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.453 -10.237 -3.496 1.00 0.00 H new ATOM 807 N ARG A 52 10.748 -8.174 0.089 1.00 0.00 N ATOM 808 CA ARG A 52 11.277 -8.631 1.407 1.00 0.00 C ATOM 809 C ARG A 52 10.399 -8.029 2.501 1.00 0.00 C ATOM 810 O ARG A 52 10.082 -8.670 3.483 1.00 0.00 O ATOM 811 CB ARG A 52 12.733 -8.174 1.573 1.00 0.00 C ATOM 812 CG ARG A 52 13.609 -8.860 0.521 1.00 0.00 C ATOM 813 CD ARG A 52 13.664 -10.364 0.797 1.00 0.00 C ATOM 814 NE ARG A 52 15.077 -10.776 1.031 1.00 0.00 N ATOM 815 CZ ARG A 52 15.337 -11.941 1.561 1.00 0.00 C ATOM 816 NH1 ARG A 52 15.074 -12.159 2.821 1.00 0.00 N ATOM 817 NH2 ARG A 52 15.860 -12.888 0.831 1.00 0.00 N ATOM 0 H ARG A 52 11.263 -7.406 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 52 11.257 -9.719 1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.799 -7.091 1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.090 -8.418 2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.207 -8.678 -0.476 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.615 -8.440 0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.054 -10.607 1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.249 -10.915 -0.047 1.00 0.00 H new ATOM 0 HE ARG A 52 15.840 -10.149 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.665 -11.419 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.277 -13.069 3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.066 -12.718 -0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.063 -13.798 1.245 1.00 0.00 H new ATOM 831 N GLU A 53 9.958 -6.816 2.310 1.00 0.00 N ATOM 832 CA GLU A 53 9.047 -6.189 3.306 1.00 0.00 C ATOM 833 C GLU A 53 7.711 -6.914 3.213 1.00 0.00 C ATOM 834 O GLU A 53 6.857 -6.803 4.068 1.00 0.00 O ATOM 835 CB GLU A 53 8.845 -4.713 2.974 1.00 0.00 C ATOM 836 CG GLU A 53 10.203 -4.026 2.921 1.00 0.00 C ATOM 837 CD GLU A 53 10.421 -3.215 4.195 1.00 0.00 C ATOM 838 OE1 GLU A 53 9.694 -2.263 4.394 1.00 0.00 O ATOM 839 OE2 GLU A 53 11.313 -3.563 4.951 1.00 0.00 O ATOM 0 H GLU A 53 10.190 -6.232 1.506 1.00 0.00 H new ATOM 0 HA GLU A 53 9.468 -6.263 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.333 -4.609 2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.213 -4.241 3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.993 -4.769 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.257 -3.373 2.050 1.00 0.00 H new ATOM 846 N LEU A 54 7.543 -7.666 2.160 1.00 0.00 N ATOM 847 CA LEU A 54 6.292 -8.425 1.952 1.00 0.00 C ATOM 848 C LEU A 54 6.341 -9.696 2.800 1.00 0.00 C ATOM 849 O LEU A 54 5.574 -9.877 3.725 1.00 0.00 O ATOM 850 CB LEU A 54 6.202 -8.796 0.465 1.00 0.00 C ATOM 851 CG LEU A 54 5.126 -7.958 -0.234 1.00 0.00 C ATOM 852 CD1 LEU A 54 3.839 -7.990 0.583 1.00 0.00 C ATOM 853 CD2 LEU A 54 5.611 -6.512 -0.372 1.00 0.00 C ATOM 0 H LEU A 54 8.239 -7.784 1.424 1.00 0.00 H new ATOM 0 HA LEU A 54 5.424 -7.833 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.167 -8.633 -0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.969 -9.856 0.362 1.00 0.00 H new ATOM 0 HG LEU A 54 4.934 -8.371 -1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.076 -7.393 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.492 -9.019 0.675 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.028 -7.580 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.845 -5.917 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.807 -6.098 0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.527 -6.490 -0.962 1.00 0.00 H new ATOM 865 N GLN A 55 7.246 -10.575 2.480 1.00 0.00 N ATOM 866 CA GLN A 55 7.372 -11.852 3.249 1.00 0.00 C ATOM 867 C GLN A 55 7.605 -11.562 4.735 1.00 0.00 C ATOM 868 O GLN A 55 6.950 -12.123 5.591 1.00 0.00 O ATOM 869 CB GLN A 55 8.545 -12.691 2.713 1.00 0.00 C ATOM 870 CG GLN A 55 9.534 -11.805 1.947 1.00 0.00 C ATOM 871 CD GLN A 55 10.932 -12.418 2.013 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.744 -12.028 2.830 1.00 0.00 O ATOM 873 NE2 GLN A 55 11.251 -13.371 1.180 1.00 0.00 N ATOM 0 H GLN A 55 7.911 -10.467 1.714 1.00 0.00 H new ATOM 0 HA GLN A 55 6.443 -12.409 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.055 -13.184 3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.168 -13.476 2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.219 -11.705 0.908 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.545 -10.802 2.374 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.570 -13.698 0.495 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.181 -13.788 1.214 1.00 0.00 H new ATOM 882 N GLU A 56 8.543 -10.712 5.058 1.00 0.00 N ATOM 883 CA GLU A 56 8.811 -10.427 6.497 1.00 0.00 C ATOM 884 C GLU A 56 7.494 -10.180 7.233 1.00 0.00 C ATOM 885 O GLU A 56 7.400 -10.371 8.429 1.00 0.00 O ATOM 886 CB GLU A 56 9.734 -9.205 6.642 1.00 0.00 C ATOM 887 CG GLU A 56 9.175 -7.997 5.884 1.00 0.00 C ATOM 888 CD GLU A 56 8.345 -7.123 6.836 1.00 0.00 C ATOM 889 OE1 GLU A 56 7.750 -7.677 7.747 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.315 -5.911 6.640 1.00 0.00 O ATOM 0 H GLU A 56 9.130 -10.207 4.394 1.00 0.00 H new ATOM 0 HA GLU A 56 9.309 -11.291 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.848 -8.955 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.727 -9.448 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.992 -7.413 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.556 -8.333 5.052 1.00 0.00 H new ATOM 897 N GLU A 57 6.475 -9.762 6.536 1.00 0.00 N ATOM 898 CA GLU A 57 5.173 -9.518 7.211 1.00 0.00 C ATOM 899 C GLU A 57 4.439 -10.853 7.411 1.00 0.00 C ATOM 900 O GLU A 57 4.663 -11.555 8.375 1.00 0.00 O ATOM 901 CB GLU A 57 4.337 -8.550 6.365 1.00 0.00 C ATOM 902 CG GLU A 57 5.205 -7.359 5.957 1.00 0.00 C ATOM 903 CD GLU A 57 4.933 -6.170 6.883 1.00 0.00 C ATOM 904 OE1 GLU A 57 4.183 -6.340 7.829 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.482 -5.106 6.627 1.00 0.00 O ATOM 0 H GLU A 57 6.488 -9.580 5.532 1.00 0.00 H new ATOM 0 HA GLU A 57 5.338 -9.069 8.190 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.957 -9.058 5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.472 -8.207 6.932 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.259 -7.634 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.994 -7.082 4.924 1.00 0.00 H new ATOM 912 N VAL A 58 3.563 -11.206 6.508 1.00 0.00 N ATOM 913 CA VAL A 58 2.811 -12.484 6.632 1.00 0.00 C ATOM 914 C VAL A 58 3.686 -13.652 6.164 1.00 0.00 C ATOM 915 O VAL A 58 4.260 -14.364 6.963 1.00 0.00 O ATOM 916 CB VAL A 58 1.561 -12.375 5.767 1.00 0.00 C ATOM 917 CG1 VAL A 58 0.745 -13.656 5.840 1.00 0.00 C ATOM 918 CG2 VAL A 58 0.718 -11.202 6.267 1.00 0.00 C ATOM 0 H VAL A 58 3.335 -10.655 5.681 1.00 0.00 H new ATOM 0 HA VAL A 58 2.533 -12.667 7.670 1.00 0.00 H new ATOM 0 HB VAL A 58 1.856 -12.214 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.143 -13.558 5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.348 -14.492 5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.445 -13.838 6.872 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.180 -11.113 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.435 -11.374 7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.297 -10.281 6.197 1.00 0.00 H new ATOM 928 N GLY A 59 3.801 -13.854 4.875 1.00 0.00 N ATOM 929 CA GLY A 59 4.651 -14.976 4.380 1.00 0.00 C ATOM 930 C GLY A 59 4.008 -15.669 3.168 1.00 0.00 C ATOM 931 O GLY A 59 4.106 -16.870 3.016 1.00 0.00 O ATOM 0 H GLY A 59 3.347 -13.296 4.152 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.635 -14.596 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.801 -15.702 5.179 1.00 0.00 H new ATOM 935 N ILE A 60 3.376 -14.933 2.292 1.00 0.00 N ATOM 936 CA ILE A 60 2.767 -15.584 1.087 1.00 0.00 C ATOM 937 C ILE A 60 3.781 -15.526 -0.064 1.00 0.00 C ATOM 938 O ILE A 60 4.973 -15.500 0.173 1.00 0.00 O ATOM 939 CB ILE A 60 1.453 -14.894 0.690 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.679 -13.397 0.495 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.419 -15.102 1.795 1.00 0.00 C ATOM 942 CD1 ILE A 60 2.236 -13.138 -0.904 1.00 0.00 C ATOM 0 H ILE A 60 3.254 -13.922 2.354 1.00 0.00 H new ATOM 0 HA ILE A 60 2.529 -16.622 1.317 1.00 0.00 H new ATOM 0 HB ILE A 60 1.096 -15.327 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.741 -12.857 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.373 -13.023 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.515 -14.613 1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.243 -16.169 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.790 -14.672 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.396 -12.068 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.183 -13.664 -1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.527 -13.496 -1.650 1.00 0.00 H new ATOM 954 N THR A 61 3.352 -15.518 -1.303 1.00 0.00 N ATOM 955 CA THR A 61 4.365 -15.478 -2.406 1.00 0.00 C ATOM 956 C THR A 61 3.756 -15.024 -3.753 1.00 0.00 C ATOM 957 O THR A 61 4.140 -13.995 -4.273 1.00 0.00 O ATOM 958 CB THR A 61 5.004 -16.869 -2.538 1.00 0.00 C ATOM 959 OG1 THR A 61 6.061 -16.985 -1.597 1.00 0.00 O ATOM 960 CG2 THR A 61 5.562 -17.073 -3.950 1.00 0.00 C ATOM 0 H THR A 61 2.375 -15.537 -1.594 1.00 0.00 H new ATOM 0 HA THR A 61 5.123 -14.738 -2.150 1.00 0.00 H new ATOM 0 HB THR A 61 4.244 -17.627 -2.348 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.931 -16.333 -0.877 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.011 -18.064 -4.024 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.754 -16.985 -4.677 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.319 -16.316 -4.155 1.00 0.00 H new ATOM 968 N PRO A 62 2.855 -15.812 -4.298 1.00 0.00 N ATOM 969 CA PRO A 62 2.219 -15.522 -5.606 1.00 0.00 C ATOM 970 C PRO A 62 1.623 -14.116 -5.718 1.00 0.00 C ATOM 971 O PRO A 62 1.106 -13.774 -6.755 1.00 0.00 O ATOM 972 CB PRO A 62 1.093 -16.546 -5.732 1.00 0.00 C ATOM 973 CG PRO A 62 1.181 -17.495 -4.525 1.00 0.00 C ATOM 974 CD PRO A 62 2.387 -17.059 -3.670 1.00 0.00 C ATOM 0 HA PRO A 62 2.973 -15.578 -6.391 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.124 -16.047 -5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.187 -17.104 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.263 -17.454 -3.939 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.301 -18.526 -4.858 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.099 -16.896 -2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.168 -17.820 -3.669 1.00 0.00 H new ATOM 982 N GLN A 63 1.658 -13.318 -4.687 1.00 0.00 N ATOM 983 CA GLN A 63 1.060 -11.948 -4.779 1.00 0.00 C ATOM 984 C GLN A 63 1.255 -11.363 -6.180 1.00 0.00 C ATOM 985 O GLN A 63 0.461 -10.572 -6.634 1.00 0.00 O ATOM 986 CB GLN A 63 1.718 -11.024 -3.758 1.00 0.00 C ATOM 987 CG GLN A 63 3.230 -11.033 -3.967 1.00 0.00 C ATOM 988 CD GLN A 63 3.775 -9.613 -3.793 1.00 0.00 C ATOM 989 OE1 GLN A 63 3.025 -8.689 -3.550 1.00 0.00 O ATOM 990 NE2 GLN A 63 5.059 -9.399 -3.906 1.00 0.00 N ATOM 0 H GLN A 63 2.073 -13.551 -3.785 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.007 -12.029 -4.573 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.331 -10.011 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.478 -11.351 -2.747 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.703 -11.706 -3.252 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.469 -11.407 -4.963 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.689 -10.175 -4.110 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.431 -8.456 -3.790 1.00 0.00 H new ATOM 999 N HIS A 64 2.297 -11.735 -6.875 1.00 0.00 N ATOM 1000 CA HIS A 64 2.498 -11.172 -8.239 1.00 0.00 C ATOM 1001 C HIS A 64 2.501 -9.654 -8.127 1.00 0.00 C ATOM 1002 O HIS A 64 1.551 -8.985 -8.481 1.00 0.00 O ATOM 1003 CB HIS A 64 1.356 -11.620 -9.151 1.00 0.00 C ATOM 1004 CG HIS A 64 1.906 -12.000 -10.496 1.00 0.00 C ATOM 1005 ND1 HIS A 64 2.712 -13.113 -10.677 1.00 0.00 N ATOM 1006 CD2 HIS A 64 1.775 -11.425 -11.736 1.00 0.00 C ATOM 1007 CE1 HIS A 64 3.031 -13.173 -11.982 1.00 0.00 C ATOM 1008 NE2 HIS A 64 2.486 -12.168 -12.674 1.00 0.00 N ATOM 0 H HIS A 64 3.008 -12.396 -6.562 1.00 0.00 H new ATOM 0 HA HIS A 64 3.441 -11.521 -8.660 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.834 -12.468 -8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.627 -10.817 -9.259 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.207 -10.532 -11.951 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.653 -13.941 -12.418 1.00 0.00 H new ATOM 0 HE2 HIS A 64 2.572 -11.985 -13.674 1.00 0.00 H new ATOM 1016 N PHE A 65 3.556 -9.116 -7.600 1.00 0.00 N ATOM 1017 CA PHE A 65 3.642 -7.648 -7.407 1.00 0.00 C ATOM 1018 C PHE A 65 3.846 -6.927 -8.739 1.00 0.00 C ATOM 1019 O PHE A 65 4.502 -7.416 -9.638 1.00 0.00 O ATOM 1020 CB PHE A 65 4.819 -7.365 -6.486 1.00 0.00 C ATOM 1021 CG PHE A 65 6.088 -7.851 -7.149 1.00 0.00 C ATOM 1022 CD1 PHE A 65 6.632 -7.137 -8.222 1.00 0.00 C ATOM 1023 CD2 PHE A 65 6.711 -9.022 -6.700 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.801 -7.591 -8.847 1.00 0.00 C ATOM 1025 CE2 PHE A 65 7.880 -9.476 -7.323 1.00 0.00 C ATOM 1026 CZ PHE A 65 8.425 -8.760 -8.397 1.00 0.00 C ATOM 0 H PHE A 65 4.376 -9.638 -7.290 1.00 0.00 H new ATOM 0 HA PHE A 65 2.711 -7.284 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.887 -6.297 -6.279 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.678 -7.867 -5.529 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.150 -6.235 -8.569 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.290 -9.575 -5.873 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.220 -7.039 -9.675 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.362 -10.378 -6.976 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.327 -9.110 -8.878 1.00 0.00 H new ATOM 1036 N SER A 66 3.293 -5.752 -8.852 1.00 0.00 N ATOM 1037 CA SER A 66 3.439 -4.952 -10.097 1.00 0.00 C ATOM 1038 C SER A 66 3.529 -3.480 -9.698 1.00 0.00 C ATOM 1039 O SER A 66 2.789 -3.019 -8.863 1.00 0.00 O ATOM 1040 CB SER A 66 2.216 -5.163 -10.990 1.00 0.00 C ATOM 1041 OG SER A 66 2.547 -6.057 -12.044 1.00 0.00 O ATOM 0 H SER A 66 2.737 -5.306 -8.122 1.00 0.00 H new ATOM 0 HA SER A 66 4.331 -5.258 -10.644 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.390 -5.565 -10.404 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.882 -4.209 -11.399 1.00 0.00 H new ATOM 0 HG SER A 66 1.763 -6.194 -12.615 1.00 0.00 H new ATOM 1047 N LEU A 67 4.433 -2.739 -10.267 1.00 0.00 N ATOM 1048 CA LEU A 67 4.550 -1.303 -9.880 1.00 0.00 C ATOM 1049 C LEU A 67 3.250 -0.567 -10.204 1.00 0.00 C ATOM 1050 O LEU A 67 2.529 -0.156 -9.327 1.00 0.00 O ATOM 1051 CB LEU A 67 5.698 -0.648 -10.653 1.00 0.00 C ATOM 1052 CG LEU A 67 6.284 0.525 -9.854 1.00 0.00 C ATOM 1053 CD1 LEU A 67 6.940 1.502 -10.824 1.00 0.00 C ATOM 1054 CD2 LEU A 67 5.182 1.261 -9.086 1.00 0.00 C ATOM 0 H LEU A 67 5.092 -3.058 -10.977 1.00 0.00 H new ATOM 0 HA LEU A 67 4.746 -1.245 -8.809 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.476 -1.384 -10.853 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.338 -0.294 -11.619 1.00 0.00 H new ATOM 0 HG LEU A 67 7.013 0.137 -9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.360 2.340 -10.268 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.735 0.994 -11.370 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.195 1.871 -11.528 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.619 2.088 -8.527 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.444 1.648 -9.789 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.698 0.571 -8.395 1.00 0.00 H new ATOM 1066 N PHE A 68 2.975 -0.380 -11.464 1.00 0.00 N ATOM 1067 CA PHE A 68 1.747 0.346 -11.903 1.00 0.00 C ATOM 1068 C PHE A 68 2.048 1.848 -11.873 1.00 0.00 C ATOM 1069 O PHE A 68 1.858 2.550 -12.846 1.00 0.00 O ATOM 1070 CB PHE A 68 0.544 -0.024 -11.000 1.00 0.00 C ATOM 1071 CG PHE A 68 -0.101 1.212 -10.407 1.00 0.00 C ATOM 1072 CD1 PHE A 68 -0.937 2.009 -11.198 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.143 1.564 -9.074 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -1.529 3.156 -10.658 1.00 0.00 C ATOM 1075 CE2 PHE A 68 -0.448 2.713 -8.534 1.00 0.00 C ATOM 1076 CZ PHE A 68 -1.285 3.508 -9.325 1.00 0.00 C ATOM 0 H PHE A 68 3.565 -0.708 -12.229 1.00 0.00 H new ATOM 0 HA PHE A 68 1.472 0.057 -12.918 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.193 -0.578 -11.582 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.878 -0.683 -10.198 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.125 1.738 -12.226 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.787 0.949 -8.462 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.174 3.770 -11.269 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.258 2.986 -7.506 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.743 4.393 -8.907 1.00 0.00 H new ATOM 1086 N GLU A 69 2.532 2.340 -10.769 1.00 0.00 N ATOM 1087 CA GLU A 69 2.864 3.784 -10.680 1.00 0.00 C ATOM 1088 C GLU A 69 3.233 4.117 -9.241 1.00 0.00 C ATOM 1089 O GLU A 69 3.200 3.272 -8.374 1.00 0.00 O ATOM 1090 CB GLU A 69 1.661 4.622 -11.117 1.00 0.00 C ATOM 1091 CG GLU A 69 2.004 5.372 -12.405 1.00 0.00 C ATOM 1092 CD GLU A 69 3.010 6.483 -12.097 1.00 0.00 C ATOM 1093 OE1 GLU A 69 2.707 7.311 -11.255 1.00 0.00 O ATOM 1094 OE2 GLU A 69 4.067 6.485 -12.706 1.00 0.00 O ATOM 0 H GLU A 69 2.712 1.801 -9.922 1.00 0.00 H new ATOM 0 HA GLU A 69 3.704 4.010 -11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.795 3.979 -11.277 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.392 5.329 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.421 4.683 -13.139 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.100 5.796 -12.843 1.00 0.00 H new ATOM 1101 N LYS A 70 3.603 5.335 -8.980 1.00 0.00 N ATOM 1102 CA LYS A 70 3.986 5.705 -7.593 1.00 0.00 C ATOM 1103 C LYS A 70 3.927 7.222 -7.439 1.00 0.00 C ATOM 1104 O LYS A 70 3.528 7.931 -8.340 1.00 0.00 O ATOM 1105 CB LYS A 70 5.410 5.224 -7.335 1.00 0.00 C ATOM 1106 CG LYS A 70 6.368 5.988 -8.248 1.00 0.00 C ATOM 1107 CD LYS A 70 7.180 6.982 -7.418 1.00 0.00 C ATOM 1108 CE LYS A 70 7.872 6.243 -6.273 1.00 0.00 C ATOM 1109 NZ LYS A 70 9.348 6.330 -6.449 1.00 0.00 N ATOM 0 H LYS A 70 3.657 6.089 -9.664 1.00 0.00 H new ATOM 0 HA LYS A 70 3.302 5.244 -6.881 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.678 5.384 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.485 4.153 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.035 5.292 -8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.808 6.515 -9.021 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.921 7.477 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.527 7.760 -7.021 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.582 6.679 -5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.558 5.199 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.803 5.527 -5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.579 6.304 -7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.695 7.220 -6.038 1.00 0.00 H new ATOM 1123 N LEU A 71 4.338 7.732 -6.311 1.00 0.00 N ATOM 1124 CA LEU A 71 4.319 9.206 -6.120 1.00 0.00 C ATOM 1125 C LEU A 71 5.453 9.626 -5.189 1.00 0.00 C ATOM 1126 O LEU A 71 6.155 8.808 -4.629 1.00 0.00 O ATOM 1127 CB LEU A 71 2.976 9.654 -5.516 1.00 0.00 C ATOM 1128 CG LEU A 71 2.577 8.767 -4.324 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.710 8.707 -3.294 1.00 0.00 C ATOM 1130 CD2 LEU A 71 1.331 9.362 -3.657 1.00 0.00 C ATOM 0 H LEU A 71 4.684 7.193 -5.517 1.00 0.00 H new ATOM 0 HA LEU A 71 4.449 9.680 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.049 10.692 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.199 9.612 -6.279 1.00 0.00 H new ATOM 0 HG LEU A 71 2.374 7.759 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.409 8.075 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.604 8.291 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.924 9.712 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.040 8.740 -2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.552 10.371 -3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.515 9.398 -4.378 1.00 0.00 H new ATOM 1142 N GLU A 72 5.608 10.901 -5.000 1.00 0.00 N ATOM 1143 CA GLU A 72 6.659 11.408 -4.083 1.00 0.00 C ATOM 1144 C GLU A 72 6.090 12.640 -3.388 1.00 0.00 C ATOM 1145 O GLU A 72 6.219 13.753 -3.860 1.00 0.00 O ATOM 1146 CB GLU A 72 7.920 11.775 -4.869 1.00 0.00 C ATOM 1147 CG GLU A 72 9.149 11.608 -3.968 1.00 0.00 C ATOM 1148 CD GLU A 72 10.397 12.070 -4.721 1.00 0.00 C ATOM 1149 OE1 GLU A 72 10.539 11.701 -5.875 1.00 0.00 O ATOM 1150 OE2 GLU A 72 11.191 12.785 -4.130 1.00 0.00 O ATOM 0 H GLU A 72 5.044 11.624 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 72 6.937 10.646 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.011 11.138 -5.749 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.853 12.803 -5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.026 12.190 -3.055 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.256 10.565 -3.670 1.00 0.00 H new ATOM 1157 N TYR A 73 5.439 12.441 -2.279 1.00 0.00 N ATOM 1158 CA TYR A 73 4.832 13.583 -1.554 1.00 0.00 C ATOM 1159 C TYR A 73 5.924 14.296 -0.774 1.00 0.00 C ATOM 1160 O TYR A 73 6.617 13.699 0.028 1.00 0.00 O ATOM 1161 CB TYR A 73 3.765 13.050 -0.595 1.00 0.00 C ATOM 1162 CG TYR A 73 2.627 14.037 -0.469 1.00 0.00 C ATOM 1163 CD1 TYR A 73 2.787 15.366 -0.885 1.00 0.00 C ATOM 1164 CD2 TYR A 73 1.407 13.617 0.072 1.00 0.00 C ATOM 1165 CE1 TYR A 73 1.727 16.270 -0.761 1.00 0.00 C ATOM 1166 CE2 TYR A 73 0.347 14.519 0.197 1.00 0.00 C ATOM 1167 CZ TYR A 73 0.506 15.847 -0.219 1.00 0.00 C ATOM 1168 OH TYR A 73 -0.541 16.737 -0.095 1.00 0.00 O ATOM 0 H TYR A 73 5.302 11.529 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 73 4.369 14.280 -2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.387 12.094 -0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.206 12.868 0.385 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.729 15.692 -1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.284 12.593 0.394 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.850 17.294 -1.083 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.594 14.192 0.614 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.314 16.280 0.298 1.00 0.00 H new ATOM 1178 N GLU A 74 6.102 15.561 -1.006 1.00 0.00 N ATOM 1179 CA GLU A 74 7.165 16.285 -0.279 1.00 0.00 C ATOM 1180 C GLU A 74 6.545 17.065 0.874 1.00 0.00 C ATOM 1181 O GLU A 74 5.376 17.395 0.859 1.00 0.00 O ATOM 1182 CB GLU A 74 7.875 17.250 -1.234 1.00 0.00 C ATOM 1183 CG GLU A 74 9.390 17.094 -1.088 1.00 0.00 C ATOM 1184 CD GLU A 74 10.028 18.460 -0.823 1.00 0.00 C ATOM 1185 OE1 GLU A 74 9.301 19.438 -0.800 1.00 0.00 O ATOM 1186 OE2 GLU A 74 11.235 18.503 -0.649 1.00 0.00 O ATOM 0 H GLU A 74 5.559 16.120 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 74 7.890 15.572 0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.576 17.046 -2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.582 18.277 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.617 16.411 -0.269 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.809 16.656 -1.994 1.00 0.00 H new ATOM 1193 N PHE A 75 7.320 17.362 1.874 1.00 0.00 N ATOM 1194 CA PHE A 75 6.781 18.122 3.030 1.00 0.00 C ATOM 1195 C PHE A 75 7.765 19.249 3.369 1.00 0.00 C ATOM 1196 O PHE A 75 8.835 19.312 2.796 1.00 0.00 O ATOM 1197 CB PHE A 75 6.647 17.172 4.227 1.00 0.00 C ATOM 1198 CG PHE A 75 5.192 16.846 4.491 1.00 0.00 C ATOM 1199 CD1 PHE A 75 4.193 17.808 4.282 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.842 15.572 4.955 1.00 0.00 C ATOM 1201 CE1 PHE A 75 2.853 17.494 4.536 1.00 0.00 C ATOM 1202 CE2 PHE A 75 3.501 15.258 5.208 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.507 16.219 4.998 1.00 0.00 C ATOM 0 H PHE A 75 8.306 17.111 1.941 1.00 0.00 H new ATOM 0 HA PHE A 75 5.804 18.544 2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.201 16.254 4.033 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.089 17.630 5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.458 18.792 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.609 14.829 5.118 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.085 18.236 4.375 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.235 14.274 5.565 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.472 15.977 5.192 1.00 0.00 H new ATOM 1213 N PRO A 76 7.396 20.101 4.293 1.00 0.00 N ATOM 1214 CA PRO A 76 8.265 21.213 4.711 1.00 0.00 C ATOM 1215 C PRO A 76 9.681 20.693 4.971 1.00 0.00 C ATOM 1216 O PRO A 76 10.661 21.370 4.728 1.00 0.00 O ATOM 1217 CB PRO A 76 7.619 21.740 6.000 1.00 0.00 C ATOM 1218 CG PRO A 76 6.265 21.004 6.178 1.00 0.00 C ATOM 1219 CD PRO A 76 6.106 20.029 5.000 1.00 0.00 C ATOM 0 HA PRO A 76 8.355 21.995 3.957 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.269 21.559 6.856 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.465 22.817 5.939 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.244 20.466 7.126 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.441 21.718 6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.898 19.017 5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.280 20.320 4.351 1.00 0.00 H new ATOM 1227 N ASP A 77 9.787 19.485 5.448 1.00 0.00 N ATOM 1228 CA ASP A 77 11.123 18.887 5.715 1.00 0.00 C ATOM 1229 C ASP A 77 10.927 17.388 5.874 1.00 0.00 C ATOM 1230 O ASP A 77 11.333 16.789 6.850 1.00 0.00 O ATOM 1231 CB ASP A 77 11.714 19.476 6.998 1.00 0.00 C ATOM 1232 CG ASP A 77 12.992 20.249 6.662 1.00 0.00 C ATOM 1233 OD1 ASP A 77 13.521 20.040 5.582 1.00 0.00 O ATOM 1234 OD2 ASP A 77 13.419 21.036 7.490 1.00 0.00 O ATOM 0 H ASP A 77 8.995 18.880 5.667 1.00 0.00 H new ATOM 0 HA ASP A 77 11.810 19.101 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.990 20.138 7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.934 18.680 7.709 1.00 0.00 H new ATOM 1239 N ARG A 78 10.271 16.784 4.926 1.00 0.00 N ATOM 1240 CA ARG A 78 10.002 15.333 5.013 1.00 0.00 C ATOM 1241 C ARG A 78 9.792 14.760 3.609 1.00 0.00 C ATOM 1242 O ARG A 78 8.699 14.777 3.081 1.00 0.00 O ATOM 1243 CB ARG A 78 8.729 15.140 5.832 1.00 0.00 C ATOM 1244 CG ARG A 78 8.859 13.904 6.713 1.00 0.00 C ATOM 1245 CD ARG A 78 9.908 14.148 7.801 1.00 0.00 C ATOM 1246 NE ARG A 78 9.322 13.866 9.146 1.00 0.00 N ATOM 1247 CZ ARG A 78 8.081 14.183 9.409 1.00 0.00 C ATOM 1248 NH1 ARG A 78 7.581 15.300 8.956 1.00 0.00 N ATOM 1249 NH2 ARG A 78 7.342 13.382 10.126 1.00 0.00 N ATOM 0 H ARG A 78 9.908 17.241 4.089 1.00 0.00 H new ATOM 0 HA ARG A 78 10.843 14.821 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.547 16.020 6.450 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.872 15.034 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.897 13.669 7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.144 13.043 6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.775 13.510 7.632 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.258 15.179 7.756 1.00 0.00 H new ATOM 0 HE ARG A 78 9.894 13.423 9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.158 15.927 8.396 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.613 15.546 9.162 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.732 12.509 10.481 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.374 13.629 10.332 1.00 0.00 H new ATOM 1263 N HIS A 79 10.825 14.245 3.001 1.00 0.00 N ATOM 1264 CA HIS A 79 10.667 13.665 1.636 1.00 0.00 C ATOM 1265 C HIS A 79 10.046 12.276 1.763 1.00 0.00 C ATOM 1266 O HIS A 79 10.586 11.406 2.415 1.00 0.00 O ATOM 1267 CB HIS A 79 12.035 13.547 0.962 1.00 0.00 C ATOM 1268 CG HIS A 79 12.111 14.517 -0.183 1.00 0.00 C ATOM 1269 ND1 HIS A 79 12.163 14.099 -1.504 1.00 0.00 N ATOM 1270 CD2 HIS A 79 12.142 15.889 -0.222 1.00 0.00 C ATOM 1271 CE1 HIS A 79 12.222 15.200 -2.274 1.00 0.00 C ATOM 1272 NE2 HIS A 79 12.213 16.319 -1.544 1.00 0.00 N ATOM 0 H HIS A 79 11.768 14.200 3.388 1.00 0.00 H new ATOM 0 HA HIS A 79 10.027 14.310 1.034 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.827 13.754 1.682 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.189 12.530 0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 79 12.115 16.536 0.642 1.00 0.00 H new ATOM 0 HE1 HIS A 79 12.271 15.182 -3.353 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.250 17.281 -1.882 1.00 0.00 H new ATOM 1280 N ILE A 80 8.908 12.062 1.163 1.00 0.00 N ATOM 1281 CA ILE A 80 8.258 10.727 1.277 1.00 0.00 C ATOM 1282 C ILE A 80 8.135 10.068 -0.101 1.00 0.00 C ATOM 1283 O ILE A 80 8.255 10.699 -1.132 1.00 0.00 O ATOM 1284 CB ILE A 80 6.859 10.890 1.899 1.00 0.00 C ATOM 1285 CG1 ILE A 80 6.983 10.950 3.424 1.00 0.00 C ATOM 1286 CG2 ILE A 80 5.970 9.703 1.513 1.00 0.00 C ATOM 1287 CD1 ILE A 80 8.060 11.963 3.812 1.00 0.00 C ATOM 0 H ILE A 80 8.403 12.749 0.603 1.00 0.00 H new ATOM 0 HA ILE A 80 8.873 10.090 1.913 1.00 0.00 H new ATOM 0 HB ILE A 80 6.411 11.811 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.028 11.233 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.237 9.966 3.817 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.983 9.828 1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.876 9.657 0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.418 8.779 1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 80 8.147 12.004 4.898 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.015 11.661 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 80 7.787 12.948 3.432 1.00 0.00 H new ATOM 1299 N THR A 81 7.862 8.792 -0.096 1.00 0.00 N ATOM 1300 CA THR A 81 7.684 8.032 -1.359 1.00 0.00 C ATOM 1301 C THR A 81 6.771 6.845 -1.056 1.00 0.00 C ATOM 1302 O THR A 81 6.676 6.406 0.073 1.00 0.00 O ATOM 1303 CB THR A 81 9.034 7.518 -1.841 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.035 8.481 -1.533 1.00 0.00 O ATOM 1305 CG2 THR A 81 8.992 7.288 -3.353 1.00 0.00 C ATOM 0 H THR A 81 7.753 8.235 0.751 1.00 0.00 H new ATOM 0 HA THR A 81 7.253 8.668 -2.132 1.00 0.00 H new ATOM 0 HB THR A 81 9.264 6.575 -1.344 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.753 8.431 -2.198 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.960 6.920 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.222 6.553 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.763 8.227 -3.858 1.00 0.00 H new ATOM 1313 N LEU A 82 6.096 6.321 -2.035 1.00 0.00 N ATOM 1314 CA LEU A 82 5.196 5.169 -1.754 1.00 0.00 C ATOM 1315 C LEU A 82 5.123 4.246 -2.967 1.00 0.00 C ATOM 1316 O LEU A 82 4.152 4.244 -3.697 1.00 0.00 O ATOM 1317 CB LEU A 82 3.798 5.688 -1.425 1.00 0.00 C ATOM 1318 CG LEU A 82 3.227 4.896 -0.250 1.00 0.00 C ATOM 1319 CD1 LEU A 82 3.319 5.739 1.022 1.00 0.00 C ATOM 1320 CD2 LEU A 82 1.762 4.553 -0.531 1.00 0.00 C ATOM 0 H LEU A 82 6.125 6.633 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 82 5.591 4.608 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.841 6.748 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.148 5.590 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 82 3.796 3.976 -0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.912 5.176 1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.362 5.985 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.748 6.658 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.353 3.988 0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.191 5.473 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.696 3.954 -1.439 1.00 0.00 H new ATOM 1332 N TRP A 83 6.131 3.447 -3.184 1.00 0.00 N ATOM 1333 CA TRP A 83 6.082 2.520 -4.350 1.00 0.00 C ATOM 1334 C TRP A 83 4.737 1.787 -4.342 1.00 0.00 C ATOM 1335 O TRP A 83 4.490 0.938 -3.509 1.00 0.00 O ATOM 1336 CB TRP A 83 7.220 1.502 -4.249 1.00 0.00 C ATOM 1337 CG TRP A 83 8.531 2.211 -4.347 1.00 0.00 C ATOM 1338 CD1 TRP A 83 9.137 2.861 -3.329 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.404 2.353 -5.505 1.00 0.00 C ATOM 1340 NE1 TRP A 83 10.329 3.397 -3.789 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.538 3.110 -5.124 1.00 0.00 C ATOM 1342 CE3 TRP A 83 9.323 1.904 -6.835 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.555 3.410 -6.032 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 10.345 2.203 -7.751 1.00 0.00 C ATOM 1345 CH2 TRP A 83 11.459 2.955 -7.350 1.00 0.00 C ATOM 0 H TRP A 83 6.975 3.395 -2.614 1.00 0.00 H new ATOM 0 HA TRP A 83 6.192 3.086 -5.275 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.156 0.961 -3.305 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.133 0.763 -5.046 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.755 2.948 -2.323 1.00 0.00 H new ATOM 0 HE1 TRP A 83 10.974 3.938 -3.212 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.469 1.325 -7.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.410 3.990 -5.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 10.273 1.852 -8.770 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.242 3.182 -8.059 1.00 0.00 H new ATOM 1356 N PHE A 84 3.863 2.109 -5.258 1.00 0.00 N ATOM 1357 CA PHE A 84 2.535 1.426 -5.292 1.00 0.00 C ATOM 1358 C PHE A 84 2.651 0.122 -6.071 1.00 0.00 C ATOM 1359 O PHE A 84 2.111 -0.006 -7.142 1.00 0.00 O ATOM 1360 CB PHE A 84 1.505 2.317 -5.993 1.00 0.00 C ATOM 1361 CG PHE A 84 0.883 3.258 -4.990 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.546 4.433 -4.622 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.361 2.949 -4.427 1.00 0.00 C ATOM 1364 CE1 PHE A 84 0.964 5.302 -3.689 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.943 3.817 -3.495 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.280 4.993 -3.126 1.00 0.00 C ATOM 0 H PHE A 84 4.009 2.812 -5.982 1.00 0.00 H new ATOM 0 HA PHE A 84 2.218 1.228 -4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.984 2.885 -6.791 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.734 1.702 -6.457 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.506 4.671 -5.056 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.872 2.041 -4.712 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.475 6.210 -3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.903 3.579 -3.061 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.728 5.662 -2.407 1.00 0.00 H new ATOM 1376 N TRP A 85 3.326 -0.856 -5.542 1.00 0.00 N ATOM 1377 CA TRP A 85 3.437 -2.141 -6.282 1.00 0.00 C ATOM 1378 C TRP A 85 2.105 -2.889 -6.202 1.00 0.00 C ATOM 1379 O TRP A 85 1.889 -3.700 -5.325 1.00 0.00 O ATOM 1380 CB TRP A 85 4.545 -2.994 -5.662 1.00 0.00 C ATOM 1381 CG TRP A 85 5.873 -2.481 -6.116 1.00 0.00 C ATOM 1382 CD1 TRP A 85 6.574 -1.500 -5.505 1.00 0.00 C ATOM 1383 CD2 TRP A 85 6.667 -2.896 -7.266 1.00 0.00 C ATOM 1384 NE1 TRP A 85 7.748 -1.285 -6.206 1.00 0.00 N ATOM 1385 CE2 TRP A 85 7.850 -2.122 -7.301 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.475 -3.859 -8.272 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 8.809 -2.296 -8.298 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 7.439 -4.038 -9.277 1.00 0.00 C ATOM 1389 CH2 TRP A 85 8.604 -3.259 -9.291 1.00 0.00 C ATOM 0 H TRP A 85 3.801 -0.824 -4.640 1.00 0.00 H new ATOM 0 HA TRP A 85 3.679 -1.942 -7.326 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.481 -2.960 -4.574 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.425 -4.037 -5.956 1.00 0.00 H new ATOM 0 HD1 TRP A 85 6.268 -0.970 -4.615 1.00 0.00 H new ATOM 0 HE1 TRP A 85 8.452 -0.594 -5.946 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.581 -4.465 -8.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.704 -1.691 -8.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.282 -4.781 -10.045 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.342 -3.402 -10.067 1.00 0.00 H new ATOM 1400 N LEU A 86 1.199 -2.628 -7.106 1.00 0.00 N ATOM 1401 CA LEU A 86 -0.100 -3.345 -7.047 1.00 0.00 C ATOM 1402 C LEU A 86 0.108 -4.810 -7.415 1.00 0.00 C ATOM 1403 O LEU A 86 0.653 -5.135 -8.451 1.00 0.00 O ATOM 1404 CB LEU A 86 -1.105 -2.725 -8.017 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.819 -1.556 -7.342 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.378 -1.998 -5.987 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -0.830 -0.403 -7.149 1.00 0.00 C ATOM 0 H LEU A 86 1.302 -1.960 -7.870 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.492 -3.265 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.593 -2.381 -8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.831 -3.474 -8.331 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.645 -1.223 -7.970 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.886 -1.159 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.085 -2.814 -6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.561 -2.336 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.336 0.434 -6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.002 -0.735 -6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.447 -0.086 -8.119 1.00 0.00 H new ATOM 1419 N VAL A 87 -0.342 -5.692 -6.575 1.00 0.00 N ATOM 1420 CA VAL A 87 -0.200 -7.145 -6.868 1.00 0.00 C ATOM 1421 C VAL A 87 -1.558 -7.644 -7.374 1.00 0.00 C ATOM 1422 O VAL A 87 -2.490 -6.873 -7.489 1.00 0.00 O ATOM 1423 CB VAL A 87 0.255 -7.896 -5.595 1.00 0.00 C ATOM 1424 CG1 VAL A 87 0.975 -6.920 -4.655 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.942 -8.514 -4.858 1.00 0.00 C ATOM 0 H VAL A 87 -0.805 -5.471 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 87 0.558 -7.327 -7.629 1.00 0.00 H new ATOM 0 HB VAL A 87 0.929 -8.698 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.296 -7.449 -3.758 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.846 -6.503 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.296 -6.114 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.591 -9.035 -3.967 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.637 -7.726 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.449 -9.220 -5.516 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.698 -8.898 -7.703 1.00 0.00 N ATOM 1436 CA GLU A 88 -3.030 -9.337 -8.220 1.00 0.00 C ATOM 1437 C GLU A 88 -3.318 -10.829 -7.967 1.00 0.00 C ATOM 1438 O GLU A 88 -4.360 -11.320 -8.353 1.00 0.00 O ATOM 1439 CB GLU A 88 -3.088 -9.054 -9.720 1.00 0.00 C ATOM 1440 CG GLU A 88 -2.977 -7.543 -9.959 1.00 0.00 C ATOM 1441 CD GLU A 88 -3.264 -7.237 -11.431 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -4.384 -7.466 -11.857 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -2.357 -6.780 -12.107 1.00 0.00 O ATOM 0 H GLU A 88 -0.978 -9.618 -7.641 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.793 -8.776 -7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.278 -9.574 -10.231 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.022 -9.431 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -3.683 -7.010 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.980 -7.194 -9.692 1.00 0.00 H new ATOM 1450 N ARG A 89 -2.447 -11.564 -7.324 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.770 -13.008 -7.082 1.00 0.00 C ATOM 1452 C ARG A 89 -1.918 -13.577 -5.938 1.00 0.00 C ATOM 1453 O ARG A 89 -1.035 -14.380 -6.136 1.00 0.00 O ATOM 1454 CB ARG A 89 -2.562 -13.817 -8.376 1.00 0.00 C ATOM 1455 CG ARG A 89 -1.074 -14.081 -8.615 1.00 0.00 C ATOM 1456 CD ARG A 89 -0.776 -15.567 -8.397 1.00 0.00 C ATOM 1457 NE ARG A 89 -1.247 -16.346 -9.577 1.00 0.00 N ATOM 1458 CZ ARG A 89 -0.849 -17.576 -9.747 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -1.489 -18.557 -9.171 1.00 0.00 N ATOM 1460 NH2 ARG A 89 0.192 -17.825 -10.491 1.00 0.00 N ATOM 0 H ARG A 89 -1.549 -11.241 -6.963 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.816 -13.086 -6.785 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -3.098 -14.764 -8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.980 -13.273 -9.222 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.801 -13.790 -9.629 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.473 -13.476 -7.936 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.294 -15.717 -8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.273 -15.920 -7.493 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.881 -15.917 -10.252 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.302 -18.362 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.176 -19.519 -9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.694 -17.058 -10.939 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.505 -18.787 -10.625 1.00 0.00 H new ATOM 1474 N TRP A 90 -2.188 -13.179 -4.728 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.397 -13.712 -3.582 1.00 0.00 C ATOM 1476 C TRP A 90 -1.890 -15.114 -3.211 1.00 0.00 C ATOM 1477 O TRP A 90 -2.956 -15.534 -3.617 1.00 0.00 O ATOM 1478 CB TRP A 90 -1.568 -12.794 -2.374 1.00 0.00 C ATOM 1479 CG TRP A 90 -2.999 -12.820 -1.920 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -3.630 -13.908 -1.419 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -3.984 -11.740 -1.910 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -4.935 -13.571 -1.116 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -5.201 -12.250 -1.395 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -3.949 -10.383 -2.292 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -6.335 -11.452 -1.265 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -5.095 -9.575 -2.158 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -6.283 -10.110 -1.645 1.00 0.00 C ATOM 0 H TRP A 90 -2.918 -12.511 -4.482 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.347 -13.759 -3.870 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.913 -13.116 -1.564 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.277 -11.776 -2.634 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -3.185 -14.882 -1.279 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -5.619 -14.223 -0.732 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.038 -9.961 -2.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.250 -11.870 -0.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -5.057 -8.537 -2.453 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.158 -9.485 -1.544 1.00 0.00 H new ATOM 1498 N GLU A 91 -1.130 -15.837 -2.428 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.572 -17.208 -2.022 1.00 0.00 C ATOM 1500 C GLU A 91 -2.452 -17.121 -0.765 1.00 0.00 C ATOM 1501 O GLU A 91 -2.147 -16.407 0.168 1.00 0.00 O ATOM 1502 CB GLU A 91 -0.337 -18.095 -1.745 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.084 -18.240 -0.237 1.00 0.00 C ATOM 1504 CD GLU A 91 1.090 -19.190 -0.004 1.00 0.00 C ATOM 1505 OE1 GLU A 91 1.921 -19.301 -0.891 1.00 0.00 O ATOM 1506 OE2 GLU A 91 1.140 -19.792 1.055 1.00 0.00 O ATOM 0 H GLU A 91 -0.228 -15.541 -2.054 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.153 -17.652 -2.830 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.487 -19.080 -2.188 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.541 -17.661 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.131 -17.265 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.978 -18.622 0.257 1.00 0.00 H new ATOM 1513 N GLY A 92 -3.524 -17.868 -0.731 1.00 0.00 N ATOM 1514 CA GLY A 92 -4.419 -17.865 0.466 1.00 0.00 C ATOM 1515 C GLY A 92 -4.605 -16.447 1.011 1.00 0.00 C ATOM 1516 O GLY A 92 -5.523 -15.746 0.638 1.00 0.00 O ATOM 0 H GLY A 92 -3.821 -18.485 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.389 -18.286 0.200 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.996 -18.504 1.242 1.00 0.00 H new ATOM 1520 N GLU A 93 -3.753 -16.026 1.907 1.00 0.00 N ATOM 1521 CA GLU A 93 -3.891 -14.659 2.490 1.00 0.00 C ATOM 1522 C GLU A 93 -2.844 -13.724 1.872 1.00 0.00 C ATOM 1523 O GLU A 93 -1.884 -14.175 1.292 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.676 -14.739 4.002 1.00 0.00 C ATOM 1525 CG GLU A 93 -2.208 -15.061 4.290 1.00 0.00 C ATOM 1526 CD GLU A 93 -1.931 -14.898 5.787 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -2.080 -13.793 6.279 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -1.572 -15.881 6.413 1.00 0.00 O ATOM 0 H GLU A 93 -2.966 -16.570 2.261 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.887 -14.269 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.951 -13.794 4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.319 -15.507 4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.980 -16.080 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.560 -14.399 3.716 1.00 0.00 H new ATOM 1535 N PRO A 94 -3.070 -12.444 2.016 1.00 0.00 N ATOM 1536 CA PRO A 94 -2.159 -11.411 1.484 1.00 0.00 C ATOM 1537 C PRO A 94 -0.920 -11.290 2.380 1.00 0.00 C ATOM 1538 O PRO A 94 -0.558 -12.210 3.084 1.00 0.00 O ATOM 1539 CB PRO A 94 -2.978 -10.117 1.553 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.242 -10.414 2.397 1.00 0.00 C ATOM 1541 CD PRO A 94 -4.261 -11.919 2.699 1.00 0.00 C ATOM 0 HA PRO A 94 -1.809 -11.638 0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.393 -9.316 2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.254 -9.783 0.553 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.227 -9.839 3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.141 -10.122 1.854 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.220 -12.110 3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.172 -12.388 2.326 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.280 -10.149 2.369 1.00 0.00 N ATOM 1550 CA TRP A 95 0.918 -9.955 3.228 1.00 0.00 C ATOM 1551 C TRP A 95 1.498 -8.551 3.033 1.00 0.00 C ATOM 1552 O TRP A 95 2.681 -8.388 2.828 1.00 0.00 O ATOM 1553 CB TRP A 95 1.980 -10.993 2.875 1.00 0.00 C ATOM 1554 CG TRP A 95 2.507 -10.766 1.495 1.00 0.00 C ATOM 1555 CD1 TRP A 95 1.895 -10.051 0.523 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.749 -11.262 0.917 1.00 0.00 C ATOM 1557 NE1 TRP A 95 2.683 -10.081 -0.618 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.838 -10.818 -0.421 1.00 0.00 C ATOM 1559 CE3 TRP A 95 4.795 -12.052 1.427 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 4.931 -11.151 -1.228 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 5.894 -12.386 0.619 1.00 0.00 C ATOM 1562 CH2 TRP A 95 5.962 -11.938 -0.705 1.00 0.00 C ATOM 0 H TRP A 95 -0.539 -9.343 1.799 1.00 0.00 H new ATOM 0 HA TRP A 95 0.619 -10.073 4.270 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.798 -10.942 3.594 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.554 -11.994 2.946 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.948 -9.541 0.620 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.441 -9.617 -1.494 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.753 -12.404 2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.978 -10.802 -2.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.692 -12.992 1.022 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.809 -12.200 -1.322 1.00 0.00 H new ATOM 1573 N GLY A 96 0.683 -7.535 3.105 1.00 0.00 N ATOM 1574 CA GLY A 96 1.212 -6.150 2.928 1.00 0.00 C ATOM 1575 C GLY A 96 0.716 -5.248 4.064 1.00 0.00 C ATOM 1576 O GLY A 96 1.062 -4.085 4.141 1.00 0.00 O ATOM 0 H GLY A 96 -0.320 -7.601 3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.302 -6.167 2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.889 -5.749 1.967 1.00 0.00 H new ATOM 1580 N LYS A 97 -0.098 -5.770 4.937 1.00 0.00 N ATOM 1581 CA LYS A 97 -0.627 -4.934 6.065 1.00 0.00 C ATOM 1582 C LYS A 97 0.530 -4.347 6.879 1.00 0.00 C ATOM 1583 O LYS A 97 1.095 -5.002 7.732 1.00 0.00 O ATOM 1584 CB LYS A 97 -1.525 -5.758 7.008 1.00 0.00 C ATOM 1585 CG LYS A 97 -1.372 -7.263 6.757 1.00 0.00 C ATOM 1586 CD LYS A 97 0.093 -7.674 6.899 1.00 0.00 C ATOM 1587 CE LYS A 97 0.340 -8.205 8.312 1.00 0.00 C ATOM 1588 NZ LYS A 97 -0.700 -9.218 8.650 1.00 0.00 N ATOM 0 H LYS A 97 -0.423 -6.737 4.924 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.220 -4.134 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.270 -5.533 8.044 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.566 -5.468 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.984 -7.822 7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.732 -7.511 5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 97 0.340 -8.439 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.742 -6.821 6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.332 -8.651 8.376 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.312 -7.386 9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.302 -9.917 9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.513 -8.746 9.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.011 -9.699 7.782 1.00 0.00 H new ATOM 1602 N GLU A 98 0.874 -3.108 6.640 1.00 0.00 N ATOM 1603 CA GLU A 98 1.977 -2.475 7.422 1.00 0.00 C ATOM 1604 C GLU A 98 1.416 -1.983 8.757 1.00 0.00 C ATOM 1605 O GLU A 98 1.044 -0.834 8.895 1.00 0.00 O ATOM 1606 CB GLU A 98 2.556 -1.292 6.641 1.00 0.00 C ATOM 1607 CG GLU A 98 3.764 -0.715 7.392 1.00 0.00 C ATOM 1608 CD GLU A 98 4.630 -1.849 7.953 1.00 0.00 C ATOM 1609 OE1 GLU A 98 4.315 -2.330 9.028 1.00 0.00 O ATOM 1610 OE2 GLU A 98 5.593 -2.217 7.297 1.00 0.00 O ATOM 0 H GLU A 98 0.440 -2.508 5.938 1.00 0.00 H new ATOM 0 HA GLU A 98 2.768 -3.204 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.856 -1.614 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.795 -0.522 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.356 -0.094 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.424 -0.072 8.204 1.00 0.00 H new ATOM 1617 N GLY A 99 1.335 -2.838 9.737 1.00 0.00 N ATOM 1618 CA GLY A 99 0.777 -2.405 11.045 1.00 0.00 C ATOM 1619 C GLY A 99 -0.704 -2.068 10.859 1.00 0.00 C ATOM 1620 O GLY A 99 -1.313 -1.406 11.676 1.00 0.00 O ATOM 0 H GLY A 99 1.630 -3.813 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.894 -3.195 11.786 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.319 -1.536 11.418 1.00 0.00 H new ATOM 1624 N GLN A 100 -1.281 -2.519 9.778 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.718 -2.235 9.511 1.00 0.00 C ATOM 1626 C GLN A 100 -3.472 -3.563 9.372 1.00 0.00 C ATOM 1627 O GLN A 100 -2.857 -4.598 9.206 1.00 0.00 O ATOM 1628 CB GLN A 100 -2.828 -1.434 8.211 1.00 0.00 C ATOM 1629 CG GLN A 100 -2.554 -2.346 7.012 1.00 0.00 C ATOM 1630 CD GLN A 100 -2.883 -1.603 5.710 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -2.908 -2.198 4.651 1.00 0.00 O ATOM 1632 NE2 GLN A 100 -3.133 -0.319 5.740 1.00 0.00 N ATOM 0 H GLN A 100 -0.813 -3.077 9.063 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.150 -1.660 10.330 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.823 -0.996 8.126 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.116 -0.608 8.221 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.509 -2.657 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.156 -3.252 7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.113 0.184 6.627 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.348 0.179 4.876 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.779 -3.501 9.446 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.618 -4.703 9.333 1.00 0.00 C ATOM 1643 C PRO A 101 -5.493 -5.290 7.931 1.00 0.00 C ATOM 1644 O PRO A 101 -5.277 -6.474 7.759 1.00 0.00 O ATOM 1645 CB PRO A 101 -7.052 -4.210 9.569 1.00 0.00 C ATOM 1646 CG PRO A 101 -6.986 -2.684 9.824 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.522 -2.246 9.646 1.00 0.00 C ATOM 0 HA PRO A 101 -5.328 -5.479 10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.679 -4.427 8.704 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.498 -4.722 10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.633 -2.151 9.127 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.337 -2.448 10.829 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.409 -1.578 8.792 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -5.161 -1.707 10.522 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.639 -4.470 6.928 1.00 0.00 N ATOM 1656 CA GLY A 102 -5.546 -4.979 5.535 1.00 0.00 C ATOM 1657 C GLY A 102 -6.644 -6.017 5.323 1.00 0.00 C ATOM 1658 O GLY A 102 -6.703 -7.017 6.005 1.00 0.00 O ATOM 0 H GLY A 102 -5.819 -3.470 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.657 -4.160 4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.566 -5.423 5.359 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.531 -5.780 4.403 1.00 0.00 N ATOM 1663 CA GLU A 103 -8.633 -6.771 4.182 1.00 0.00 C ATOM 1664 C GLU A 103 -9.122 -6.727 2.734 1.00 0.00 C ATOM 1665 O GLU A 103 -9.353 -5.665 2.189 1.00 0.00 O ATOM 1666 CB GLU A 103 -9.809 -6.443 5.110 1.00 0.00 C ATOM 1667 CG GLU A 103 -10.022 -4.928 5.178 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.545 -4.551 6.564 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -10.969 -5.445 7.278 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.509 -3.376 6.890 1.00 0.00 O ATOM 0 H GLU A 103 -7.548 -4.958 3.799 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.246 -7.767 4.396 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.715 -6.929 4.747 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.615 -6.835 6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.085 -4.408 4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.731 -4.615 4.412 1.00 0.00 H new ATOM 1677 N TRP A 104 -9.309 -7.869 2.100 1.00 0.00 N ATOM 1678 CA TRP A 104 -9.813 -7.835 0.698 1.00 0.00 C ATOM 1679 C TRP A 104 -11.015 -6.906 0.680 1.00 0.00 C ATOM 1680 O TRP A 104 -11.927 -7.034 1.473 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.234 -9.227 0.200 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.269 -10.261 0.691 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -7.927 -10.113 0.727 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.549 -11.596 1.202 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.362 -11.271 1.231 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.322 -12.216 1.539 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -10.735 -12.325 1.404 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -8.274 -13.510 2.059 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -10.690 -13.628 1.928 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -9.462 -14.218 2.254 1.00 0.00 C ATOM 0 H TRP A 104 -9.137 -8.797 2.488 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.019 -7.489 0.037 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.239 -9.460 0.552 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.268 -9.238 -0.889 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.383 -9.234 0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.360 -11.410 1.359 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.687 -11.880 1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.325 -13.961 2.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -11.607 -14.178 2.080 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -9.434 -15.220 2.656 1.00 0.00 H new ATOM 1701 N MET A 105 -11.015 -5.961 -0.195 1.00 0.00 N ATOM 1702 CA MET A 105 -12.141 -5.005 -0.249 1.00 0.00 C ATOM 1703 C MET A 105 -12.956 -5.303 -1.494 1.00 0.00 C ATOM 1704 O MET A 105 -12.418 -5.488 -2.558 1.00 0.00 O ATOM 1705 CB MET A 105 -11.563 -3.591 -0.309 1.00 0.00 C ATOM 1706 CG MET A 105 -12.568 -2.583 0.243 1.00 0.00 C ATOM 1707 SD MET A 105 -14.043 -2.562 -0.805 1.00 0.00 S ATOM 1708 CE MET A 105 -15.254 -2.299 0.514 1.00 0.00 C ATOM 0 H MET A 105 -10.279 -5.805 -0.883 1.00 0.00 H new ATOM 0 HA MET A 105 -12.783 -5.092 0.628 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.638 -3.544 0.266 1.00 0.00 H new ATOM 0 HB3 MET A 105 -11.311 -3.337 -1.339 1.00 0.00 H new ATOM 0 HG2 MET A 105 -12.839 -2.847 1.265 1.00 0.00 H new ATOM 0 HG3 MET A 105 -12.120 -1.590 0.278 1.00 0.00 H new ATOM 0 HE1 MET A 105 -16.261 -2.377 0.104 1.00 0.00 H new ATOM 0 HE2 MET A 105 -15.118 -3.054 1.289 1.00 0.00 H new ATOM 0 HE3 MET A 105 -15.113 -1.308 0.945 1.00 0.00 H new ATOM 1718 N SER A 106 -14.246 -5.369 -1.391 1.00 0.00 N ATOM 1719 CA SER A 106 -15.040 -5.675 -2.607 1.00 0.00 C ATOM 1720 C SER A 106 -15.295 -4.387 -3.388 1.00 0.00 C ATOM 1721 O SER A 106 -16.371 -4.165 -3.907 1.00 0.00 O ATOM 1722 CB SER A 106 -16.371 -6.317 -2.212 1.00 0.00 C ATOM 1723 OG SER A 106 -16.828 -7.145 -3.273 1.00 0.00 O ATOM 0 H SER A 106 -14.781 -5.227 -0.534 1.00 0.00 H new ATOM 0 HA SER A 106 -14.484 -6.372 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.248 -6.906 -1.303 1.00 0.00 H new ATOM 0 HB3 SER A 106 -17.109 -5.545 -1.994 1.00 0.00 H new ATOM 0 HG SER A 106 -16.131 -7.212 -3.959 1.00 0.00 H new ATOM 1729 N LEU A 107 -14.305 -3.543 -3.484 1.00 0.00 N ATOM 1730 CA LEU A 107 -14.467 -2.278 -4.237 1.00 0.00 C ATOM 1731 C LEU A 107 -14.256 -2.556 -5.725 1.00 0.00 C ATOM 1732 O LEU A 107 -13.528 -3.454 -6.102 1.00 0.00 O ATOM 1733 CB LEU A 107 -13.434 -1.266 -3.737 1.00 0.00 C ATOM 1734 CG LEU A 107 -13.308 -0.121 -4.739 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -13.115 1.195 -3.985 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -12.103 -0.376 -5.647 1.00 0.00 C ATOM 0 H LEU A 107 -13.384 -3.681 -3.067 1.00 0.00 H new ATOM 0 HA LEU A 107 -15.467 -1.872 -4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -13.732 -0.878 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -12.468 -1.753 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 107 -14.213 -0.060 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -13.025 2.014 -4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -13.973 1.372 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -12.209 1.139 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -12.009 0.439 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.198 -0.434 -5.043 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -12.243 -1.315 -6.182 1.00 0.00 H new ATOM 1748 N VAL A 108 -14.883 -1.798 -6.576 1.00 0.00 N ATOM 1749 CA VAL A 108 -14.710 -2.025 -8.034 1.00 0.00 C ATOM 1750 C VAL A 108 -14.122 -0.769 -8.674 1.00 0.00 C ATOM 1751 O VAL A 108 -14.590 0.326 -8.434 1.00 0.00 O ATOM 1752 CB VAL A 108 -16.065 -2.320 -8.661 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -15.926 -2.263 -10.177 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -16.532 -3.713 -8.237 1.00 0.00 C ATOM 0 H VAL A 108 -15.507 -1.031 -6.325 1.00 0.00 H new ATOM 0 HA VAL A 108 -14.039 -2.868 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.797 -1.584 -8.330 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -16.891 -2.473 -10.639 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -15.590 -1.270 -10.474 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.198 -3.006 -10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.502 -3.924 -8.686 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -15.808 -4.457 -8.571 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.619 -3.753 -7.151 1.00 0.00 H new ATOM 1764 N GLY A 109 -13.103 -0.917 -9.488 1.00 0.00 N ATOM 1765 CA GLY A 109 -12.485 0.279 -10.137 1.00 0.00 C ATOM 1766 C GLY A 109 -12.430 1.407 -9.115 1.00 0.00 C ATOM 1767 O GLY A 109 -13.287 2.269 -9.082 1.00 0.00 O ATOM 0 H GLY A 109 -12.676 -1.811 -9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.483 0.041 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.069 0.583 -11.006 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.453 1.386 -8.254 1.00 0.00 N ATOM 1772 CA LEU A 110 -11.365 2.435 -7.205 1.00 0.00 C ATOM 1773 C LEU A 110 -11.695 3.805 -7.803 1.00 0.00 C ATOM 1774 O LEU A 110 -11.724 3.979 -9.005 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.968 2.438 -6.600 1.00 0.00 C ATOM 1776 CG LEU A 110 -10.080 2.074 -5.120 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.940 1.132 -4.726 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -10.016 3.349 -4.281 1.00 0.00 C ATOM 0 H LEU A 110 -10.711 0.686 -8.232 1.00 0.00 H new ATOM 0 HA LEU A 110 -12.088 2.220 -6.418 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.329 1.723 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.507 3.419 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 110 -11.029 1.569 -4.941 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.027 0.877 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.996 0.223 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.984 1.624 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -10.096 3.094 -3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.068 3.856 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.839 4.008 -4.558 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.981 4.771 -6.972 1.00 0.00 N ATOM 1791 CA ASN A 111 -12.355 6.112 -7.503 1.00 0.00 C ATOM 1792 C ASN A 111 -11.710 7.231 -6.689 1.00 0.00 C ATOM 1793 O ASN A 111 -11.941 8.392 -6.949 1.00 0.00 O ATOM 1794 CB ASN A 111 -13.870 6.246 -7.403 1.00 0.00 C ATOM 1795 CG ASN A 111 -14.391 7.048 -8.598 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -14.247 6.633 -9.732 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -14.994 8.187 -8.393 1.00 0.00 N ATOM 0 H ASN A 111 -11.972 4.690 -5.955 1.00 0.00 H new ATOM 0 HA ASN A 111 -12.009 6.197 -8.533 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.333 5.259 -7.384 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.141 6.743 -6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -15.344 8.728 -9.184 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -15.115 8.536 -7.442 1.00 0.00 H new ATOM 1804 N ALA A 112 -10.943 6.902 -5.685 1.00 0.00 N ATOM 1805 CA ALA A 112 -10.319 7.955 -4.824 1.00 0.00 C ATOM 1806 C ALA A 112 -11.344 8.403 -3.779 1.00 0.00 C ATOM 1807 O ALA A 112 -11.007 8.726 -2.657 1.00 0.00 O ATOM 1808 CB ALA A 112 -9.881 9.160 -5.662 1.00 0.00 C ATOM 0 H ALA A 112 -10.719 5.943 -5.420 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.435 7.540 -4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.431 9.911 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.152 8.840 -6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.748 9.588 -6.165 1.00 0.00 H new ATOM 1814 N ASP A 113 -12.598 8.408 -4.143 1.00 0.00 N ATOM 1815 CA ASP A 113 -13.668 8.805 -3.198 1.00 0.00 C ATOM 1816 C ASP A 113 -13.504 8.018 -1.901 1.00 0.00 C ATOM 1817 O ASP A 113 -13.873 8.466 -0.833 1.00 0.00 O ATOM 1818 CB ASP A 113 -15.011 8.452 -3.835 1.00 0.00 C ATOM 1819 CG ASP A 113 -15.997 9.605 -3.635 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -15.979 10.195 -2.568 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -16.754 9.876 -4.553 1.00 0.00 O ATOM 0 H ASP A 113 -12.926 8.148 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 113 -13.616 9.872 -2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.879 8.254 -4.899 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.408 7.540 -3.388 1.00 0.00 H new ATOM 1826 N ASP A 114 -12.957 6.840 -1.993 1.00 0.00 N ATOM 1827 CA ASP A 114 -12.769 6.002 -0.780 1.00 0.00 C ATOM 1828 C ASP A 114 -11.308 6.089 -0.322 1.00 0.00 C ATOM 1829 O ASP A 114 -10.985 5.801 0.814 1.00 0.00 O ATOM 1830 CB ASP A 114 -13.126 4.557 -1.123 1.00 0.00 C ATOM 1831 CG ASP A 114 -14.569 4.271 -0.704 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -15.167 5.135 -0.085 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -15.052 3.194 -1.011 1.00 0.00 O ATOM 0 H ASP A 114 -12.630 6.419 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.412 6.355 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -13.007 4.387 -2.193 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -12.447 3.873 -0.614 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.426 6.497 -1.197 1.00 0.00 N ATOM 1839 CA PHE A 115 -8.989 6.621 -0.814 1.00 0.00 C ATOM 1840 C PHE A 115 -8.763 8.006 -0.189 1.00 0.00 C ATOM 1841 O PHE A 115 -9.339 8.980 -0.633 1.00 0.00 O ATOM 1842 CB PHE A 115 -8.112 6.504 -2.067 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.718 5.067 -2.350 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -7.446 4.184 -1.305 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -7.600 4.630 -3.677 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -7.057 2.867 -1.579 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -7.216 3.314 -3.953 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.943 2.431 -2.903 1.00 0.00 C ATOM 0 H PHE A 115 -10.640 6.750 -2.162 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.730 5.833 -0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.649 6.909 -2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.214 7.108 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -7.536 4.517 -0.282 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -7.806 5.312 -4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -6.845 2.187 -0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -7.130 2.980 -4.976 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.645 1.415 -3.114 1.00 0.00 H new ATOM 1858 N PRO A 116 -7.927 8.058 0.817 1.00 0.00 N ATOM 1859 CA PRO A 116 -7.606 9.320 1.510 1.00 0.00 C ATOM 1860 C PRO A 116 -6.927 10.298 0.544 1.00 0.00 C ATOM 1861 O PRO A 116 -6.192 9.887 -0.333 1.00 0.00 O ATOM 1862 CB PRO A 116 -6.634 8.920 2.627 1.00 0.00 C ATOM 1863 CG PRO A 116 -6.361 7.402 2.488 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.239 6.872 1.345 1.00 0.00 C ATOM 0 HA PRO A 116 -8.497 9.816 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -5.705 9.485 2.547 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.061 9.145 3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.307 7.221 2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.592 6.885 3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -6.637 6.389 0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -7.951 6.130 1.705 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.192 11.564 0.736 1.00 0.00 N ATOM 1873 CA PRO A 117 -6.615 12.623 -0.109 1.00 0.00 C ATOM 1874 C PRO A 117 -5.091 12.680 0.046 1.00 0.00 C ATOM 1875 O PRO A 117 -4.396 13.237 -0.780 1.00 0.00 O ATOM 1876 CB PRO A 117 -7.250 13.923 0.401 1.00 0.00 C ATOM 1877 CG PRO A 117 -8.147 13.565 1.613 1.00 0.00 C ATOM 1878 CD PRO A 117 -8.094 12.042 1.801 1.00 0.00 C ATOM 0 HA PRO A 117 -6.813 12.449 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -6.479 14.636 0.693 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.840 14.395 -0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.797 14.073 2.511 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.172 13.893 1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.716 11.778 2.788 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.085 11.597 1.710 1.00 0.00 H new ATOM 1886 N ALA A 118 -4.563 12.122 1.101 1.00 0.00 N ATOM 1887 CA ALA A 118 -3.086 12.165 1.305 1.00 0.00 C ATOM 1888 C ALA A 118 -2.371 11.551 0.100 1.00 0.00 C ATOM 1889 O ALA A 118 -1.533 12.177 -0.519 1.00 0.00 O ATOM 1890 CB ALA A 118 -2.719 11.379 2.564 1.00 0.00 C ATOM 0 H ALA A 118 -5.089 11.639 1.829 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.775 13.204 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.640 11.411 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -3.217 11.821 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.039 10.343 2.452 1.00 0.00 H new ATOM 1896 N ASN A 119 -2.683 10.328 -0.235 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.005 9.680 -1.396 1.00 0.00 C ATOM 1898 C ASN A 119 -2.817 9.923 -2.676 1.00 0.00 C ATOM 1899 O ASN A 119 -3.029 9.030 -3.467 1.00 0.00 O ATOM 1900 CB ASN A 119 -1.880 8.176 -1.138 1.00 0.00 C ATOM 1901 CG ASN A 119 -0.511 7.873 -0.526 1.00 0.00 C ATOM 1902 OD1 ASN A 119 0.507 8.077 -1.157 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -0.442 7.391 0.684 1.00 0.00 N ATOM 0 H ASN A 119 -3.375 9.751 0.243 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.011 10.110 -1.520 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.672 7.845 -0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.003 7.625 -2.071 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.466 7.186 1.100 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.296 7.220 1.214 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.263 11.132 -2.879 1.00 0.00 N ATOM 1911 CA GLU A 120 -4.058 11.463 -4.102 1.00 0.00 C ATOM 1912 C GLU A 120 -3.266 11.217 -5.390 1.00 0.00 C ATOM 1913 O GLU A 120 -3.792 10.663 -6.322 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.424 12.937 -4.081 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.874 13.106 -4.545 1.00 0.00 C ATOM 1916 CD GLU A 120 -6.818 12.965 -3.357 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -7.093 13.970 -2.721 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -7.253 11.855 -3.100 1.00 0.00 O ATOM 0 H GLU A 120 -3.110 11.915 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.939 10.821 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -4.303 13.339 -3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.754 13.499 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.005 14.083 -5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.113 12.358 -5.301 1.00 0.00 H new ATOM 1925 N PRO A 121 -2.045 11.684 -5.426 1.00 0.00 N ATOM 1926 CA PRO A 121 -1.196 11.565 -6.624 1.00 0.00 C ATOM 1927 C PRO A 121 -1.276 10.177 -7.261 1.00 0.00 C ATOM 1928 O PRO A 121 -1.464 10.053 -8.455 1.00 0.00 O ATOM 1929 CB PRO A 121 0.209 11.887 -6.109 1.00 0.00 C ATOM 1930 CG PRO A 121 0.047 12.603 -4.747 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.394 12.358 -4.282 1.00 0.00 C ATOM 0 HA PRO A 121 -1.511 12.237 -7.423 1.00 0.00 H new ATOM 0 HB2 PRO A 121 0.795 10.975 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.741 12.523 -6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 121 0.759 12.214 -4.019 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.244 13.670 -4.846 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.422 11.736 -3.387 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.896 13.294 -4.035 1.00 0.00 H new ATOM 1939 N VAL A 122 -1.153 9.137 -6.502 1.00 0.00 N ATOM 1940 CA VAL A 122 -1.245 7.787 -7.107 1.00 0.00 C ATOM 1941 C VAL A 122 -2.705 7.338 -7.033 1.00 0.00 C ATOM 1942 O VAL A 122 -3.171 6.561 -7.843 1.00 0.00 O ATOM 1943 CB VAL A 122 -0.332 6.832 -6.344 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -0.856 5.398 -6.449 1.00 0.00 C ATOM 1945 CG2 VAL A 122 1.083 6.897 -6.936 1.00 0.00 C ATOM 0 H VAL A 122 -0.994 9.159 -5.495 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.925 7.797 -8.149 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.311 7.127 -5.295 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.195 4.728 -5.900 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.859 5.345 -6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.888 5.098 -7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.737 6.215 -6.392 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.051 6.609 -7.987 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.467 7.914 -6.850 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.440 7.858 -6.087 1.00 0.00 N ATOM 1956 CA ILE A 123 -4.879 7.499 -5.995 1.00 0.00 C ATOM 1957 C ILE A 123 -5.579 8.133 -7.197 1.00 0.00 C ATOM 1958 O ILE A 123 -6.711 7.825 -7.501 1.00 0.00 O ATOM 1959 CB ILE A 123 -5.482 8.041 -4.685 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -5.335 6.992 -3.578 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -6.975 8.351 -4.877 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.968 7.680 -2.266 1.00 0.00 C ATOM 0 H ILE A 123 -3.106 8.512 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.007 6.417 -5.997 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.953 8.953 -4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -6.267 6.438 -3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -4.566 6.269 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -7.390 8.733 -3.944 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.093 9.099 -5.661 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.502 7.440 -5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.864 6.932 -1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.025 8.214 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.752 8.386 -1.994 1.00 0.00 H new ATOM 1974 N ALA A 124 -4.893 9.008 -7.890 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.487 9.657 -9.085 1.00 0.00 C ATOM 1976 C ALA A 124 -5.570 8.604 -10.176 1.00 0.00 C ATOM 1977 O ALA A 124 -6.404 8.648 -11.058 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.576 10.797 -9.544 1.00 0.00 C ATOM 0 H ALA A 124 -3.940 9.299 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.474 10.061 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.008 11.277 -10.422 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.477 11.529 -8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.593 10.399 -9.795 1.00 0.00 H new ATOM 1984 N LYS A 125 -4.686 7.660 -10.103 1.00 0.00 N ATOM 1985 CA LYS A 125 -4.645 6.568 -11.109 1.00 0.00 C ATOM 1986 C LYS A 125 -5.701 5.504 -10.798 1.00 0.00 C ATOM 1987 O LYS A 125 -6.330 4.978 -11.692 1.00 0.00 O ATOM 1988 CB LYS A 125 -3.250 5.958 -11.086 1.00 0.00 C ATOM 1989 CG LYS A 125 -2.228 7.081 -11.253 1.00 0.00 C ATOM 1990 CD LYS A 125 -2.621 7.965 -12.439 1.00 0.00 C ATOM 1991 CE LYS A 125 -1.628 9.122 -12.566 1.00 0.00 C ATOM 1992 NZ LYS A 125 -1.679 9.670 -13.951 1.00 0.00 N ATOM 0 H LYS A 125 -3.975 7.595 -9.375 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.865 6.967 -12.099 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.083 5.430 -10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.143 5.226 -11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.178 7.678 -10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.235 6.661 -11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.630 7.377 -13.357 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.630 8.352 -12.299 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.869 9.903 -11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.620 8.777 -12.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.004 10.457 -14.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.429 8.923 -14.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.639 10.014 -14.153 1.00 0.00 H new ATOM 2006 N LEU A 126 -5.920 5.177 -9.549 1.00 0.00 N ATOM 2007 CA LEU A 126 -6.961 4.151 -9.247 1.00 0.00 C ATOM 2008 C LEU A 126 -8.315 4.742 -9.616 1.00 0.00 C ATOM 2009 O LEU A 126 -9.267 4.043 -9.892 1.00 0.00 O ATOM 2010 CB LEU A 126 -6.957 3.773 -7.761 1.00 0.00 C ATOM 2011 CG LEU A 126 -5.592 3.208 -7.305 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -4.568 3.193 -8.448 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -5.049 4.073 -6.165 1.00 0.00 C ATOM 0 H LEU A 126 -5.434 5.567 -8.742 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.755 3.247 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.202 4.651 -7.164 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.735 3.033 -7.574 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.747 2.181 -6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.623 2.789 -8.085 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.940 2.570 -9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.412 4.209 -8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.086 3.681 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.924 5.098 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.750 4.057 -5.330 1.00 0.00 H new ATOM 2025 N LYS A 127 -8.394 6.038 -9.649 1.00 0.00 N ATOM 2026 CA LYS A 127 -9.667 6.690 -10.035 1.00 0.00 C ATOM 2027 C LYS A 127 -10.045 6.168 -11.410 1.00 0.00 C ATOM 2028 O LYS A 127 -11.201 6.048 -11.763 1.00 0.00 O ATOM 2029 CB LYS A 127 -9.438 8.192 -10.128 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.683 8.658 -8.892 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.196 10.038 -8.469 1.00 0.00 C ATOM 2032 CE LYS A 127 -8.854 11.067 -9.547 1.00 0.00 C ATOM 2033 NZ LYS A 127 -7.970 12.116 -8.965 1.00 0.00 N ATOM 0 H LYS A 127 -7.629 6.675 -9.425 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.451 6.481 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.871 8.431 -11.027 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.392 8.714 -10.205 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.818 7.944 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.614 8.704 -9.102 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.274 10.004 -8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -8.746 10.329 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.356 10.580 -10.386 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -9.766 11.519 -9.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.541 12.944 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -7.495 11.740 -8.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.256 12.397 -9.667 1.00 0.00 H new ATOM 2047 N ARG A 128 -9.048 5.866 -12.182 1.00 0.00 N ATOM 2048 CA ARG A 128 -9.271 5.353 -13.551 1.00 0.00 C ATOM 2049 C ARG A 128 -9.365 3.825 -13.494 1.00 0.00 C ATOM 2050 O ARG A 128 -9.917 3.192 -14.370 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.089 5.766 -14.439 1.00 0.00 C ATOM 2052 CG ARG A 128 -7.444 7.064 -13.923 1.00 0.00 C ATOM 2053 CD ARG A 128 -7.400 8.095 -15.052 1.00 0.00 C ATOM 2054 NE ARG A 128 -7.652 9.453 -14.486 1.00 0.00 N ATOM 2055 CZ ARG A 128 -7.420 10.518 -15.205 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -7.829 10.571 -16.444 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -6.781 11.531 -14.686 1.00 0.00 N ATOM 0 H ARG A 128 -8.068 5.955 -11.915 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.193 5.762 -13.963 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.346 4.968 -14.458 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -8.431 5.907 -15.464 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -8.014 7.456 -13.080 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.436 6.863 -13.560 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -6.429 8.069 -15.547 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -8.150 7.858 -15.807 1.00 0.00 H new ATOM 0 HE ARG A 128 -8.007 9.549 -13.534 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -8.330 9.781 -16.850 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -7.648 11.403 -17.006 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -6.462 11.491 -13.718 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -6.600 12.362 -15.249 1.00 0.00 H new ATOM 2071 N LEU A 129 -8.824 3.235 -12.459 1.00 0.00 N ATOM 2072 CA LEU A 129 -8.872 1.750 -12.322 1.00 0.00 C ATOM 2073 C LEU A 129 -10.249 1.235 -12.748 1.00 0.00 C ATOM 2074 O LEU A 129 -11.206 1.510 -12.044 1.00 0.00 O ATOM 2075 CB LEU A 129 -8.609 1.366 -10.863 1.00 0.00 C ATOM 2076 CG LEU A 129 -7.436 0.392 -10.797 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -6.197 1.050 -11.404 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -7.162 0.038 -9.335 1.00 0.00 C ATOM 2079 OXT LEU A 129 -10.322 0.575 -13.771 1.00 0.00 O ATOM 0 H LEU A 129 -8.349 3.722 -11.699 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.110 1.303 -12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.389 2.257 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -9.499 0.910 -10.430 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.675 -0.513 -11.355 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.357 0.356 -11.358 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -6.396 1.311 -12.443 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.953 1.953 -10.844 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -6.325 -0.658 -9.280 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.918 0.944 -8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.048 -0.425 -8.901 1.00 0.00 H new