USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.02) USER MOD Single : A 8 ASN : amide:sc= -0.0215 K(o=-0.022,f=-1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0458 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.031) USER MOD Single : A 30 ASN : amide:sc= 0.00335 X(o=0.0034,f=-0.28) USER MOD Single : A 34 THR OG1 : rot 123:sc= 0.995 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -177:sc= 0 (180deg=-0.0102) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.34) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0.45) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 60 SER OG : rot 180:sc= 0.00924 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 71 ASN : amide:sc= -1.59! X(o=-1.6!,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ -152:sc= -0.104 (180deg=-0.617) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc= -2.29 X(o=-2.3,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 4 3.940 -14.698 6.732 1.00 0.00 N ATOM 24 CA GLU A 4 4.284 -13.309 6.984 1.00 0.00 C ATOM 25 C GLU A 4 5.031 -12.721 5.785 1.00 0.00 C ATOM 26 O GLU A 4 5.612 -11.640 5.880 1.00 0.00 O ATOM 27 CB GLU A 4 5.108 -13.172 8.265 1.00 0.00 C ATOM 28 CG GLU A 4 4.809 -11.847 8.971 1.00 0.00 C ATOM 29 CD GLU A 4 5.759 -11.627 10.151 1.00 0.00 C ATOM 30 OE1 GLU A 4 6.937 -12.022 10.012 1.00 0.00 O ATOM 31 OE2 GLU A 4 5.286 -11.069 11.165 1.00 0.00 O ATOM 0 HA GLU A 4 3.361 -12.746 7.123 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.886 -14.003 8.935 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.170 -13.229 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.906 -11.024 8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.778 -11.844 9.324 1.00 0.00 H new ATOM 38 N ALA A 5 4.993 -13.458 4.686 1.00 0.00 N ATOM 39 CA ALA A 5 5.660 -13.023 3.470 1.00 0.00 C ATOM 40 C ALA A 5 4.780 -12.002 2.748 1.00 0.00 C ATOM 41 O ALA A 5 5.258 -11.259 1.893 1.00 0.00 O ATOM 42 CB ALA A 5 5.976 -14.240 2.599 1.00 0.00 C ATOM 0 H ALA A 5 4.511 -14.354 4.611 1.00 0.00 H new ATOM 0 HA ALA A 5 6.606 -12.535 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.476 -13.915 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.628 -14.920 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.050 -14.753 2.341 1.00 0.00 H new ATOM 48 N ILE A 6 3.508 -11.997 3.119 1.00 0.00 N ATOM 49 CA ILE A 6 2.556 -11.079 2.517 1.00 0.00 C ATOM 50 C ILE A 6 2.575 -9.756 3.284 1.00 0.00 C ATOM 51 O ILE A 6 2.662 -8.687 2.682 1.00 0.00 O ATOM 52 CB ILE A 6 1.169 -11.722 2.435 1.00 0.00 C ATOM 53 CG1 ILE A 6 0.995 -12.484 1.120 1.00 0.00 C ATOM 54 CG2 ILE A 6 0.069 -10.679 2.644 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.288 -13.317 1.135 1.00 0.00 C ATOM 0 H ILE A 6 3.114 -12.614 3.829 1.00 0.00 H new ATOM 0 HA ILE A 6 2.840 -10.856 1.489 1.00 0.00 H new ATOM 0 HB ILE A 6 1.081 -12.449 3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.966 -11.780 0.289 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.854 -13.135 0.956 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.906 -11.161 2.581 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.184 -10.220 3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.145 -9.911 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.388 -13.849 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.245 -14.037 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.147 -12.660 1.274 1.00 0.00 H new ATOM 67 N LYS A 7 2.495 -9.871 4.601 1.00 0.00 N ATOM 68 CA LYS A 7 2.503 -8.696 5.457 1.00 0.00 C ATOM 69 C LYS A 7 3.827 -7.951 5.281 1.00 0.00 C ATOM 70 O LYS A 7 3.855 -6.721 5.270 1.00 0.00 O ATOM 71 CB LYS A 7 2.204 -9.087 6.906 1.00 0.00 C ATOM 72 CG LYS A 7 1.347 -8.023 7.595 1.00 0.00 C ATOM 73 CD LYS A 7 1.907 -7.679 8.977 1.00 0.00 C ATOM 74 CE LYS A 7 0.846 -7.875 10.062 1.00 0.00 C ATOM 75 NZ LYS A 7 -0.247 -6.890 9.903 1.00 0.00 N ATOM 0 H LYS A 7 2.424 -10.760 5.097 1.00 0.00 H new ATOM 0 HA LYS A 7 1.709 -8.008 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.687 -10.046 6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.139 -9.216 7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.312 -7.124 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.323 -8.383 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.771 -8.308 9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.255 -6.646 8.986 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.443 -8.886 10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.300 -7.767 11.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.887 -6.946 10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.155 -5.933 9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.778 -7.098 9.033 1.00 0.00 H new ATOM 89 N ASN A 8 4.893 -8.727 5.148 1.00 0.00 N ATOM 90 CA ASN A 8 6.217 -8.156 4.974 1.00 0.00 C ATOM 91 C ASN A 8 6.327 -7.554 3.572 1.00 0.00 C ATOM 92 O ASN A 8 6.588 -6.361 3.423 1.00 0.00 O ATOM 93 CB ASN A 8 7.302 -9.226 5.116 1.00 0.00 C ATOM 94 CG ASN A 8 8.621 -8.611 5.586 1.00 0.00 C ATOM 95 OD1 ASN A 8 8.829 -7.409 5.537 1.00 0.00 O ATOM 96 ND2 ASN A 8 9.499 -9.499 6.044 1.00 0.00 N ATOM 0 H ASN A 8 4.866 -9.747 5.157 1.00 0.00 H new ATOM 0 HA ASN A 8 6.359 -7.395 5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 8 6.977 -9.986 5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.451 -9.727 4.160 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.410 -9.188 6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.261 -10.491 6.057 1.00 0.00 H new ATOM 103 N GLY A 9 6.124 -8.407 2.579 1.00 0.00 N ATOM 104 CA GLY A 9 6.198 -7.975 1.193 1.00 0.00 C ATOM 105 C GLY A 9 5.373 -6.705 0.970 1.00 0.00 C ATOM 106 O GLY A 9 5.879 -5.717 0.444 1.00 0.00 O ATOM 0 H GLY A 9 5.908 -9.396 2.706 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.237 -7.790 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.834 -8.769 0.541 1.00 0.00 H new ATOM 110 N VAL A 10 4.116 -6.775 1.384 1.00 0.00 N ATOM 111 CA VAL A 10 3.215 -5.645 1.237 1.00 0.00 C ATOM 112 C VAL A 10 3.898 -4.382 1.765 1.00 0.00 C ATOM 113 O VAL A 10 3.763 -3.308 1.181 1.00 0.00 O ATOM 114 CB VAL A 10 1.885 -5.940 1.933 1.00 0.00 C ATOM 115 CG1 VAL A 10 1.137 -4.646 2.257 1.00 0.00 C ATOM 116 CG2 VAL A 10 1.020 -6.876 1.086 1.00 0.00 C ATOM 0 H VAL A 10 3.700 -7.597 1.821 1.00 0.00 H new ATOM 0 HA VAL A 10 2.985 -5.476 0.185 1.00 0.00 H new ATOM 0 HB VAL A 10 2.104 -6.445 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.195 -4.884 2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.747 -4.029 2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.935 -4.102 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.080 -7.070 1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.815 -6.409 0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.548 -7.816 0.928 1.00 0.00 H new ATOM 126 N LEU A 11 4.618 -4.553 2.864 1.00 0.00 N ATOM 127 CA LEU A 11 5.323 -3.440 3.478 1.00 0.00 C ATOM 128 C LEU A 11 6.590 -3.139 2.674 1.00 0.00 C ATOM 129 O LEU A 11 6.824 -1.997 2.282 1.00 0.00 O ATOM 130 CB LEU A 11 5.587 -3.724 4.958 1.00 0.00 C ATOM 131 CG LEU A 11 5.221 -2.603 5.932 1.00 0.00 C ATOM 132 CD1 LEU A 11 5.791 -2.878 7.325 1.00 0.00 C ATOM 133 CD2 LEU A 11 5.660 -1.241 5.390 1.00 0.00 C ATOM 0 H LEU A 11 4.729 -5.445 3.345 1.00 0.00 H new ATOM 0 HA LEU A 11 4.708 -2.540 3.455 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.032 -4.619 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.646 -3.953 5.080 1.00 0.00 H new ATOM 0 HG LEU A 11 4.136 -2.576 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.516 -2.066 7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.387 -3.816 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.877 -2.948 7.266 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.388 -0.461 6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.740 -1.238 5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.165 -1.052 4.438 1.00 0.00 H new ATOM 145 N ASP A 12 7.374 -4.184 2.452 1.00 0.00 N ATOM 146 CA ASP A 12 8.611 -4.045 1.703 1.00 0.00 C ATOM 147 C ASP A 12 8.319 -3.357 0.368 1.00 0.00 C ATOM 148 O ASP A 12 9.128 -2.569 -0.118 1.00 0.00 O ATOM 149 CB ASP A 12 9.229 -5.412 1.404 1.00 0.00 C ATOM 150 CG ASP A 12 10.760 -5.446 1.415 1.00 0.00 C ATOM 151 OD1 ASP A 12 11.353 -4.420 1.015 1.00 0.00 O ATOM 152 OD2 ASP A 12 11.301 -6.497 1.822 1.00 0.00 O ATOM 0 H ASP A 12 7.176 -5.130 2.778 1.00 0.00 H new ATOM 0 HA ASP A 12 9.305 -3.458 2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.859 -6.129 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 12 8.880 -5.746 0.427 1.00 0.00 H new ATOM 157 N ILE A 13 7.159 -3.680 -0.186 1.00 0.00 N ATOM 158 CA ILE A 13 6.750 -3.103 -1.455 1.00 0.00 C ATOM 159 C ILE A 13 6.314 -1.653 -1.235 1.00 0.00 C ATOM 160 O ILE A 13 6.458 -0.815 -2.124 1.00 0.00 O ATOM 161 CB ILE A 13 5.680 -3.971 -2.119 1.00 0.00 C ATOM 162 CG1 ILE A 13 6.316 -5.024 -3.030 1.00 0.00 C ATOM 163 CG2 ILE A 13 4.658 -3.110 -2.864 1.00 0.00 C ATOM 164 CD1 ILE A 13 5.812 -6.426 -2.684 1.00 0.00 C ATOM 0 H ILE A 13 6.490 -4.334 0.221 1.00 0.00 H new ATOM 0 HA ILE A 13 7.589 -3.083 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 13 5.140 -4.505 -1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.084 -4.797 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.401 -4.989 -2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.909 -3.753 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.172 -2.433 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.164 -2.530 -3.635 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.280 -7.155 -3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.067 -6.659 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.730 -6.465 -2.809 1.00 0.00 H new ATOM 176 N LEU A 14 5.789 -1.401 -0.044 1.00 0.00 N ATOM 177 CA LEU A 14 5.331 -0.068 0.306 1.00 0.00 C ATOM 178 C LEU A 14 6.542 0.821 0.602 1.00 0.00 C ATOM 179 O LEU A 14 6.676 1.904 0.033 1.00 0.00 O ATOM 180 CB LEU A 14 4.320 -0.131 1.452 1.00 0.00 C ATOM 181 CG LEU A 14 2.848 -0.216 1.043 1.00 0.00 C ATOM 182 CD1 LEU A 14 1.965 -0.566 2.242 1.00 0.00 C ATOM 183 CD2 LEU A 14 2.395 1.073 0.353 1.00 0.00 C ATOM 0 H LEU A 14 5.671 -2.099 0.691 1.00 0.00 H new ATOM 0 HA LEU A 14 4.799 0.384 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.555 -0.997 2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.453 0.752 2.076 1.00 0.00 H new ATOM 0 HG LEU A 14 2.741 -1.023 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.924 -0.620 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.270 -1.530 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.071 0.202 3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.345 0.986 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.520 1.914 1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.997 1.238 -0.541 1.00 0.00 H new ATOM 195 N ALA A 15 7.391 0.331 1.493 1.00 0.00 N ATOM 196 CA ALA A 15 8.585 1.068 1.872 1.00 0.00 C ATOM 197 C ALA A 15 9.355 1.465 0.611 1.00 0.00 C ATOM 198 O ALA A 15 9.762 2.617 0.464 1.00 0.00 O ATOM 199 CB ALA A 15 9.427 0.218 2.827 1.00 0.00 C ATOM 0 H ALA A 15 7.276 -0.567 1.963 1.00 0.00 H new ATOM 0 HA ALA A 15 8.320 1.985 2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.323 0.770 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.844 -0.013 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.714 -0.709 2.331 1.00 0.00 H new ATOM 205 N ASP A 16 9.533 0.489 -0.267 1.00 0.00 N ATOM 206 CA ASP A 16 10.248 0.722 -1.511 1.00 0.00 C ATOM 207 C ASP A 16 9.457 1.710 -2.371 1.00 0.00 C ATOM 208 O ASP A 16 10.037 2.452 -3.162 1.00 0.00 O ATOM 209 CB ASP A 16 10.407 -0.575 -2.307 1.00 0.00 C ATOM 210 CG ASP A 16 11.846 -1.072 -2.452 1.00 0.00 C ATOM 211 OD1 ASP A 16 12.637 -0.799 -1.523 1.00 0.00 O ATOM 212 OD2 ASP A 16 12.124 -1.714 -3.489 1.00 0.00 O ATOM 0 H ASP A 16 9.195 -0.465 -0.142 1.00 0.00 H new ATOM 0 HA ASP A 16 11.234 1.117 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.816 -1.354 -1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 16 9.988 -0.427 -3.302 1.00 0.00 H new ATOM 217 N LEU A 17 8.145 1.689 -2.186 1.00 0.00 N ATOM 218 CA LEU A 17 7.269 2.574 -2.934 1.00 0.00 C ATOM 219 C LEU A 17 7.595 4.026 -2.581 1.00 0.00 C ATOM 220 O LEU A 17 7.904 4.828 -3.463 1.00 0.00 O ATOM 221 CB LEU A 17 5.804 2.199 -2.703 1.00 0.00 C ATOM 222 CG LEU A 17 4.949 2.023 -3.960 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.164 0.643 -4.580 1.00 0.00 C ATOM 224 CD2 LEU A 17 3.473 2.295 -3.661 1.00 0.00 C ATOM 0 H LEU A 17 7.668 1.073 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 17 7.438 2.461 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.773 1.270 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.346 2.969 -2.082 1.00 0.00 H new ATOM 0 HG LEU A 17 5.269 2.759 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.545 0.544 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.213 0.526 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.888 -0.127 -3.859 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.887 2.163 -4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.122 1.599 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.357 3.317 -3.300 1.00 0.00 H new ATOM 236 N THR A 18 7.518 4.320 -1.292 1.00 0.00 N ATOM 237 CA THR A 18 7.802 5.662 -0.812 1.00 0.00 C ATOM 238 C THR A 18 9.301 5.952 -0.893 1.00 0.00 C ATOM 239 O THR A 18 9.705 7.085 -1.147 1.00 0.00 O ATOM 240 CB THR A 18 7.234 5.787 0.603 1.00 0.00 C ATOM 241 OG1 THR A 18 7.990 4.850 1.365 1.00 0.00 O ATOM 242 CG2 THR A 18 5.795 5.276 0.705 1.00 0.00 C ATOM 0 H THR A 18 7.263 3.652 -0.565 1.00 0.00 H new ATOM 0 HA THR A 18 7.324 6.415 -1.438 1.00 0.00 H new ATOM 0 HB THR A 18 7.271 6.830 0.917 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.688 4.867 2.297 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.441 5.388 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.156 5.852 0.035 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.762 4.224 0.422 1.00 0.00 H new ATOM 250 N GLY A 19 10.086 4.907 -0.672 1.00 0.00 N ATOM 251 CA GLY A 19 11.533 5.035 -0.717 1.00 0.00 C ATOM 252 C GLY A 19 12.094 5.398 0.660 1.00 0.00 C ATOM 253 O GLY A 19 13.267 5.749 0.783 1.00 0.00 O ATOM 0 H GLY A 19 9.747 3.968 -0.461 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.974 4.098 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.812 5.801 -1.441 1.00 0.00 H new ATOM 257 N SER A 20 11.231 5.300 1.660 1.00 0.00 N ATOM 258 CA SER A 20 11.626 5.613 3.023 1.00 0.00 C ATOM 259 C SER A 20 11.204 4.481 3.962 1.00 0.00 C ATOM 260 O SER A 20 10.255 3.754 3.678 1.00 0.00 O ATOM 261 CB SER A 20 11.016 6.938 3.482 1.00 0.00 C ATOM 262 OG SER A 20 11.712 8.061 2.945 1.00 0.00 O ATOM 0 H SER A 20 10.259 5.008 1.554 1.00 0.00 H new ATOM 0 HA SER A 20 12.711 5.715 3.051 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.970 6.980 3.178 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.034 6.987 4.571 1.00 0.00 H new ATOM 0 HG SER A 20 11.291 8.888 3.260 1.00 0.00 H new ATOM 268 N ASP A 21 11.932 4.368 5.065 1.00 0.00 N ATOM 269 CA ASP A 21 11.646 3.338 6.048 1.00 0.00 C ATOM 270 C ASP A 21 10.708 3.904 7.115 1.00 0.00 C ATOM 271 O ASP A 21 10.769 3.504 8.277 1.00 0.00 O ATOM 272 CB ASP A 21 12.926 2.871 6.744 1.00 0.00 C ATOM 273 CG ASP A 21 14.061 3.897 6.770 1.00 0.00 C ATOM 274 OD1 ASP A 21 14.001 4.786 7.647 1.00 0.00 O ATOM 275 OD2 ASP A 21 14.960 3.770 5.912 1.00 0.00 O ATOM 0 H ASP A 21 12.719 4.973 5.298 1.00 0.00 H new ATOM 0 HA ASP A 21 11.188 2.495 5.530 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.683 2.594 7.770 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.283 1.969 6.247 1.00 0.00 H new ATOM 280 N ASP A 22 9.860 4.826 6.683 1.00 0.00 N ATOM 281 CA ASP A 22 8.909 5.451 7.586 1.00 0.00 C ATOM 282 C ASP A 22 7.656 4.577 7.687 1.00 0.00 C ATOM 283 O ASP A 22 7.097 4.410 8.769 1.00 0.00 O ATOM 284 CB ASP A 22 8.485 6.828 7.073 1.00 0.00 C ATOM 285 CG ASP A 22 8.834 7.998 7.996 1.00 0.00 C ATOM 286 OD1 ASP A 22 10.042 8.166 8.268 1.00 0.00 O ATOM 287 OD2 ASP A 22 7.884 8.697 8.409 1.00 0.00 O ATOM 0 H ASP A 22 9.812 5.155 5.719 1.00 0.00 H new ATOM 0 HA ASP A 22 9.390 5.561 8.558 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.953 6.998 6.103 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.407 6.822 6.910 1.00 0.00 H new ATOM 292 N VAL A 23 7.254 4.043 6.543 1.00 0.00 N ATOM 293 CA VAL A 23 6.077 3.192 6.488 1.00 0.00 C ATOM 294 C VAL A 23 6.425 1.812 7.053 1.00 0.00 C ATOM 295 O VAL A 23 5.574 1.146 7.640 1.00 0.00 O ATOM 296 CB VAL A 23 5.541 3.133 5.056 1.00 0.00 C ATOM 297 CG1 VAL A 23 6.528 2.420 4.130 1.00 0.00 C ATOM 298 CG2 VAL A 23 4.167 2.461 5.014 1.00 0.00 C ATOM 0 H VAL A 23 7.722 4.183 5.647 1.00 0.00 H new ATOM 0 HA VAL A 23 5.278 3.604 7.104 1.00 0.00 H new ATOM 0 HB VAL A 23 5.426 4.156 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.123 2.392 3.119 1.00 0.00 H new ATOM 0 HG12 VAL A 23 7.476 2.957 4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.689 1.402 4.485 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.808 2.431 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.247 1.445 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.466 3.028 5.627 1.00 0.00 H new ATOM 308 N LYS A 24 7.677 1.427 6.857 1.00 0.00 N ATOM 309 CA LYS A 24 8.148 0.139 7.340 1.00 0.00 C ATOM 310 C LYS A 24 7.849 0.021 8.836 1.00 0.00 C ATOM 311 O LYS A 24 7.796 -1.083 9.376 1.00 0.00 O ATOM 312 CB LYS A 24 9.625 -0.057 6.990 1.00 0.00 C ATOM 313 CG LYS A 24 10.156 -1.368 7.572 1.00 0.00 C ATOM 314 CD LYS A 24 10.918 -1.120 8.876 1.00 0.00 C ATOM 315 CE LYS A 24 11.916 -2.248 9.150 1.00 0.00 C ATOM 316 NZ LYS A 24 13.301 -1.726 9.151 1.00 0.00 N ATOM 0 H LYS A 24 8.380 1.983 6.371 1.00 0.00 H new ATOM 0 HA LYS A 24 7.617 -0.673 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.749 -0.059 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.208 0.779 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.327 -2.051 7.756 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.813 -1.851 6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.446 -0.168 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.214 -1.043 9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.695 -2.711 10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.814 -3.024 8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.965 -2.504 9.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.514 -1.305 8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.399 -1.002 9.891 1.00 0.00 H new ATOM 330 N LYS A 25 7.663 1.173 9.463 1.00 0.00 N ATOM 331 CA LYS A 25 7.372 1.212 10.886 1.00 0.00 C ATOM 332 C LYS A 25 5.934 1.693 11.094 1.00 0.00 C ATOM 333 O LYS A 25 5.051 0.901 11.417 1.00 0.00 O ATOM 334 CB LYS A 25 8.415 2.054 11.624 1.00 0.00 C ATOM 335 CG LYS A 25 8.150 2.057 13.131 1.00 0.00 C ATOM 336 CD LYS A 25 7.335 3.286 13.542 1.00 0.00 C ATOM 337 CE LYS A 25 7.321 3.450 15.062 1.00 0.00 C ATOM 338 NZ LYS A 25 8.140 4.615 15.465 1.00 0.00 N ATOM 0 H LYS A 25 7.708 2.087 9.012 1.00 0.00 H new ATOM 0 HA LYS A 25 7.441 0.213 11.317 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.412 1.659 11.427 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.396 3.076 11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.614 1.150 13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.097 2.047 13.670 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.758 4.178 13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.314 3.190 13.173 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.296 3.580 15.410 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.706 2.546 15.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.120 4.712 16.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.121 4.475 15.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.755 5.477 15.029 1.00 0.00 H new ATOM 352 N ASN A 26 5.745 2.991 10.901 1.00 0.00 N ATOM 353 CA ASN A 26 4.429 3.587 11.064 1.00 0.00 C ATOM 354 C ASN A 26 3.393 2.734 10.328 1.00 0.00 C ATOM 355 O ASN A 26 3.676 2.192 9.261 1.00 0.00 O ATOM 356 CB ASN A 26 4.387 4.998 10.472 1.00 0.00 C ATOM 357 CG ASN A 26 4.755 6.044 11.526 1.00 0.00 C ATOM 358 OD1 ASN A 26 4.088 6.210 12.534 1.00 0.00 O ATOM 359 ND2 ASN A 26 5.852 6.739 11.238 1.00 0.00 N ATOM 0 H ASN A 26 6.480 3.646 10.634 1.00 0.00 H new ATOM 0 HA ASN A 26 4.210 3.637 12.131 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.078 5.065 9.631 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.390 5.204 10.083 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.181 7.461 11.879 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.364 6.550 10.376 1.00 0.00 H new ATOM 366 N LEU A 27 2.215 2.645 10.926 1.00 0.00 N ATOM 367 CA LEU A 27 1.135 1.868 10.341 1.00 0.00 C ATOM 368 C LEU A 27 -0.061 2.785 10.075 1.00 0.00 C ATOM 369 O LEU A 27 -1.208 2.344 10.123 1.00 0.00 O ATOM 370 CB LEU A 27 0.803 0.663 11.223 1.00 0.00 C ATOM 371 CG LEU A 27 1.805 -0.493 11.185 1.00 0.00 C ATOM 372 CD1 LEU A 27 1.567 -1.463 12.345 1.00 0.00 C ATOM 373 CD2 LEU A 27 1.773 -1.202 9.830 1.00 0.00 C ATOM 0 H LEU A 27 1.984 3.098 11.810 1.00 0.00 H new ATOM 0 HA LEU A 27 1.440 1.455 9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.713 1.006 12.254 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.174 0.280 10.928 1.00 0.00 H new ATOM 0 HG LEU A 27 2.807 -0.081 11.309 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.292 -2.275 12.295 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.680 -0.934 13.291 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.559 -1.872 12.276 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.494 -2.019 9.830 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.774 -1.600 9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.028 -0.493 9.042 1.00 0.00 H new ATOM 385 N ASP A 28 0.249 4.044 9.801 1.00 0.00 N ATOM 386 CA ASP A 28 -0.786 5.026 9.528 1.00 0.00 C ATOM 387 C ASP A 28 -0.150 6.274 8.913 1.00 0.00 C ATOM 388 O ASP A 28 -0.641 7.385 9.107 1.00 0.00 O ATOM 389 CB ASP A 28 -1.502 5.444 10.813 1.00 0.00 C ATOM 390 CG ASP A 28 -3.015 5.217 10.815 1.00 0.00 C ATOM 391 OD1 ASP A 28 -3.699 5.948 10.066 1.00 0.00 O ATOM 392 OD2 ASP A 28 -3.453 4.318 11.565 1.00 0.00 O ATOM 0 H ASP A 28 1.202 4.406 9.762 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.506 4.575 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.067 4.895 11.648 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.309 6.502 10.991 1.00 0.00 H new ATOM 397 N LEU A 29 0.935 6.049 8.186 1.00 0.00 N ATOM 398 CA LEU A 29 1.644 7.143 7.543 1.00 0.00 C ATOM 399 C LEU A 29 1.037 7.395 6.161 1.00 0.00 C ATOM 400 O LEU A 29 1.362 6.700 5.200 1.00 0.00 O ATOM 401 CB LEU A 29 3.148 6.860 7.511 1.00 0.00 C ATOM 402 CG LEU A 29 4.043 8.037 7.122 1.00 0.00 C ATOM 403 CD1 LEU A 29 4.732 8.633 8.352 1.00 0.00 C ATOM 404 CD2 LEU A 29 5.048 7.630 6.043 1.00 0.00 C ATOM 0 H LEU A 29 1.340 5.126 8.028 1.00 0.00 H new ATOM 0 HA LEU A 29 1.527 8.063 8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.452 6.508 8.497 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.329 6.044 6.811 1.00 0.00 H new ATOM 0 HG LEU A 29 3.413 8.818 6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.362 9.468 8.047 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.978 8.985 9.056 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.347 7.870 8.830 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.672 8.486 5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.677 6.822 6.418 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.512 7.291 5.156 1.00 0.00 H new ATOM 416 N ASN A 30 0.167 8.392 6.107 1.00 0.00 N ATOM 417 CA ASN A 30 -0.490 8.745 4.860 1.00 0.00 C ATOM 418 C ASN A 30 0.538 8.728 3.726 1.00 0.00 C ATOM 419 O ASN A 30 1.427 9.577 3.676 1.00 0.00 O ATOM 420 CB ASN A 30 -1.091 10.150 4.932 1.00 0.00 C ATOM 421 CG ASN A 30 -1.852 10.354 6.243 1.00 0.00 C ATOM 422 OD1 ASN A 30 -1.614 11.287 6.991 1.00 0.00 O ATOM 423 ND2 ASN A 30 -2.780 9.431 6.480 1.00 0.00 N ATOM 0 H ASN A 30 -0.099 8.967 6.907 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.286 8.022 4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.298 10.893 4.848 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.764 10.305 4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.342 9.480 7.330 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.929 8.675 5.812 1.00 0.00 H new ATOM 430 N LEU A 31 0.381 7.753 2.842 1.00 0.00 N ATOM 431 CA LEU A 31 1.284 7.615 1.712 1.00 0.00 C ATOM 432 C LEU A 31 0.971 8.700 0.680 1.00 0.00 C ATOM 433 O LEU A 31 1.659 8.813 -0.334 1.00 0.00 O ATOM 434 CB LEU A 31 1.224 6.194 1.150 1.00 0.00 C ATOM 435 CG LEU A 31 1.220 5.064 2.180 1.00 0.00 C ATOM 436 CD1 LEU A 31 0.337 3.902 1.718 1.00 0.00 C ATOM 437 CD2 LEU A 31 2.645 4.608 2.499 1.00 0.00 C ATOM 0 H LEU A 31 -0.358 7.051 2.886 1.00 0.00 H new ATOM 0 HA LEU A 31 2.317 7.764 2.028 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.326 6.104 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.077 6.051 0.487 1.00 0.00 H new ATOM 0 HG LEU A 31 0.789 5.448 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.352 3.112 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.686 4.254 1.582 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.715 3.511 0.773 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.614 3.804 3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.125 4.249 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.214 5.446 2.902 1.00 0.00 H new ATOM 449 N PHE A 32 -0.066 9.471 0.973 1.00 0.00 N ATOM 450 CA PHE A 32 -0.477 10.543 0.083 1.00 0.00 C ATOM 451 C PHE A 32 -0.277 11.910 0.742 1.00 0.00 C ATOM 452 O PHE A 32 0.332 12.802 0.154 1.00 0.00 O ATOM 453 CB PHE A 32 -1.966 10.340 -0.201 1.00 0.00 C ATOM 454 CG PHE A 32 -2.253 9.495 -1.444 1.00 0.00 C ATOM 455 CD1 PHE A 32 -2.171 8.139 -1.379 1.00 0.00 C ATOM 456 CD2 PHE A 32 -2.589 10.100 -2.615 1.00 0.00 C ATOM 457 CE1 PHE A 32 -2.437 7.355 -2.532 1.00 0.00 C ATOM 458 CE2 PHE A 32 -2.856 9.316 -3.769 1.00 0.00 C ATOM 459 CZ PHE A 32 -2.774 7.960 -3.703 1.00 0.00 C ATOM 0 H PHE A 32 -0.634 9.374 1.815 1.00 0.00 H new ATOM 0 HA PHE A 32 0.119 10.519 -0.829 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.429 9.864 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.439 11.315 -0.320 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.903 7.658 -0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.653 11.177 -2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.372 6.278 -2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.124 9.796 -4.698 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.976 7.363 -4.580 1.00 0.00 H new ATOM 469 N GLU A 33 -0.802 12.030 1.952 1.00 0.00 N ATOM 470 CA GLU A 33 -0.689 13.273 2.697 1.00 0.00 C ATOM 471 C GLU A 33 0.771 13.535 3.073 1.00 0.00 C ATOM 472 O GLU A 33 1.124 14.645 3.467 1.00 0.00 O ATOM 473 CB GLU A 33 -1.580 13.251 3.939 1.00 0.00 C ATOM 474 CG GLU A 33 -2.646 14.346 3.869 1.00 0.00 C ATOM 475 CD GLU A 33 -2.013 15.735 3.979 1.00 0.00 C ATOM 476 OE1 GLU A 33 -1.206 16.063 3.083 1.00 0.00 O ATOM 477 OE2 GLU A 33 -2.350 16.437 4.957 1.00 0.00 O ATOM 0 H GLU A 33 -1.307 11.287 2.436 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.032 14.088 2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.060 12.277 4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.970 13.389 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.194 14.265 2.930 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.369 14.207 4.673 1.00 0.00 H new ATOM 484 N THR A 34 1.579 12.494 2.938 1.00 0.00 N ATOM 485 CA THR A 34 2.992 12.597 3.260 1.00 0.00 C ATOM 486 C THR A 34 3.795 12.985 2.016 1.00 0.00 C ATOM 487 O THR A 34 4.943 13.412 2.123 1.00 0.00 O ATOM 488 CB THR A 34 3.435 11.270 3.878 1.00 0.00 C ATOM 489 OG1 THR A 34 2.614 11.135 5.036 1.00 0.00 O ATOM 490 CG2 THR A 34 4.859 11.330 4.437 1.00 0.00 C ATOM 0 H THR A 34 1.282 11.575 2.610 1.00 0.00 H new ATOM 0 HA THR A 34 3.175 13.388 3.988 1.00 0.00 H new ATOM 0 HB THR A 34 3.372 10.482 3.128 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.118 10.291 4.988 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.123 10.363 4.864 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.555 11.575 3.635 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.914 12.095 5.211 1.00 0.00 H new ATOM 498 N GLY A 35 3.158 12.824 0.866 1.00 0.00 N ATOM 499 CA GLY A 35 3.798 13.152 -0.397 1.00 0.00 C ATOM 500 C GLY A 35 4.672 11.995 -0.885 1.00 0.00 C ATOM 501 O GLY A 35 5.274 12.076 -1.955 1.00 0.00 O ATOM 0 H GLY A 35 2.205 12.471 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.039 13.380 -1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.407 14.048 -0.278 1.00 0.00 H new ATOM 505 N LEU A 36 4.713 10.945 -0.078 1.00 0.00 N ATOM 506 CA LEU A 36 5.503 9.773 -0.415 1.00 0.00 C ATOM 507 C LEU A 36 5.055 9.235 -1.776 1.00 0.00 C ATOM 508 O LEU A 36 5.885 8.906 -2.622 1.00 0.00 O ATOM 509 CB LEU A 36 5.432 8.738 0.708 1.00 0.00 C ATOM 510 CG LEU A 36 6.331 8.998 1.919 1.00 0.00 C ATOM 511 CD1 LEU A 36 6.115 7.939 3.001 1.00 0.00 C ATOM 512 CD2 LEU A 36 7.799 9.097 1.498 1.00 0.00 C ATOM 0 H LEU A 36 4.212 10.881 0.808 1.00 0.00 H new ATOM 0 HA LEU A 36 6.556 10.038 -0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.400 8.676 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.688 7.763 0.293 1.00 0.00 H new ATOM 0 HG LEU A 36 6.053 9.959 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.766 8.148 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.075 7.959 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.349 6.954 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.418 9.282 2.376 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.106 8.163 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.920 9.917 0.790 1.00 0.00 H new ATOM 524 N LEU A 37 3.742 9.162 -1.945 1.00 0.00 N ATOM 525 CA LEU A 37 3.174 8.670 -3.187 1.00 0.00 C ATOM 526 C LEU A 37 2.445 9.812 -3.898 1.00 0.00 C ATOM 527 O LEU A 37 2.121 10.826 -3.280 1.00 0.00 O ATOM 528 CB LEU A 37 2.293 7.446 -2.926 1.00 0.00 C ATOM 529 CG LEU A 37 2.351 6.340 -3.981 1.00 0.00 C ATOM 530 CD1 LEU A 37 3.736 5.689 -4.016 1.00 0.00 C ATOM 531 CD2 LEU A 37 1.240 5.313 -3.761 1.00 0.00 C ATOM 0 H LEU A 37 3.056 9.436 -1.241 1.00 0.00 H new ATOM 0 HA LEU A 37 3.963 8.329 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.576 7.018 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.259 7.780 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 37 2.182 6.791 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.751 4.906 -4.774 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.486 6.442 -4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.959 5.255 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.304 4.538 -4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.352 4.861 -2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.270 5.807 -3.826 1.00 0.00 H new ATOM 543 N ASP A 38 2.207 9.611 -5.186 1.00 0.00 N ATOM 544 CA ASP A 38 1.523 10.611 -5.986 1.00 0.00 C ATOM 545 C ASP A 38 0.310 9.973 -6.664 1.00 0.00 C ATOM 546 O ASP A 38 -0.806 10.481 -6.555 1.00 0.00 O ATOM 547 CB ASP A 38 2.440 11.164 -7.079 1.00 0.00 C ATOM 548 CG ASP A 38 2.730 12.663 -6.983 1.00 0.00 C ATOM 549 OD1 ASP A 38 1.766 13.440 -7.157 1.00 0.00 O ATOM 550 OD2 ASP A 38 3.909 12.998 -6.739 1.00 0.00 O ATOM 0 H ASP A 38 2.476 8.769 -5.695 1.00 0.00 H new ATOM 0 HA ASP A 38 1.221 11.423 -5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.386 10.623 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.989 10.958 -8.050 1.00 0.00 H new ATOM 555 N SER A 39 0.568 8.868 -7.349 1.00 0.00 N ATOM 556 CA SER A 39 -0.490 8.155 -8.045 1.00 0.00 C ATOM 557 C SER A 39 0.097 6.970 -8.813 1.00 0.00 C ATOM 558 O SER A 39 -0.389 5.846 -8.694 1.00 0.00 O ATOM 559 CB SER A 39 -1.247 9.083 -8.997 1.00 0.00 C ATOM 560 OG SER A 39 -1.969 8.358 -9.987 1.00 0.00 O ATOM 0 H SER A 39 1.494 8.449 -7.437 1.00 0.00 H new ATOM 0 HA SER A 39 -1.198 7.785 -7.304 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.938 9.703 -8.426 1.00 0.00 H new ATOM 0 HB3 SER A 39 -0.542 9.757 -9.483 1.00 0.00 H new ATOM 0 HG SER A 39 -2.440 8.986 -10.574 1.00 0.00 H new ATOM 566 N MET A 40 1.133 7.261 -9.586 1.00 0.00 N ATOM 567 CA MET A 40 1.792 6.234 -10.375 1.00 0.00 C ATOM 568 C MET A 40 2.285 5.091 -9.485 1.00 0.00 C ATOM 569 O MET A 40 2.263 3.929 -9.889 1.00 0.00 O ATOM 570 CB MET A 40 2.977 6.844 -11.124 1.00 0.00 C ATOM 571 CG MET A 40 2.736 6.834 -12.635 1.00 0.00 C ATOM 572 SD MET A 40 3.545 5.423 -13.371 1.00 0.00 S ATOM 573 CE MET A 40 2.135 4.361 -13.638 1.00 0.00 C ATOM 0 H MET A 40 1.533 8.194 -9.683 1.00 0.00 H new ATOM 0 HA MET A 40 1.071 5.832 -11.086 1.00 0.00 H new ATOM 0 HB2 MET A 40 3.138 7.867 -10.785 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.884 6.285 -10.893 1.00 0.00 H new ATOM 0 HG2 MET A 40 1.666 6.799 -12.841 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.116 7.754 -13.079 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.470 3.407 -14.046 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.623 4.191 -12.691 1.00 0.00 H new ATOM 0 HE3 MET A 40 1.450 4.836 -14.340 1.00 0.00 H new ATOM 583 N GLY A 41 2.719 5.460 -8.288 1.00 0.00 N ATOM 584 CA GLY A 41 3.217 4.481 -7.337 1.00 0.00 C ATOM 585 C GLY A 41 2.150 3.430 -7.023 1.00 0.00 C ATOM 586 O GLY A 41 2.412 2.231 -7.102 1.00 0.00 O ATOM 0 H GLY A 41 2.736 6.424 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.104 3.994 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.520 4.983 -6.418 1.00 0.00 H new ATOM 590 N THR A 42 0.970 3.919 -6.672 1.00 0.00 N ATOM 591 CA THR A 42 -0.138 3.037 -6.346 1.00 0.00 C ATOM 592 C THR A 42 -0.292 1.955 -7.416 1.00 0.00 C ATOM 593 O THR A 42 -0.506 0.786 -7.097 1.00 0.00 O ATOM 594 CB THR A 42 -1.390 3.897 -6.166 1.00 0.00 C ATOM 595 OG1 THR A 42 -1.705 3.769 -4.783 1.00 0.00 O ATOM 596 CG2 THR A 42 -2.610 3.311 -6.881 1.00 0.00 C ATOM 0 H THR A 42 0.757 4.914 -6.606 1.00 0.00 H new ATOM 0 HA THR A 42 0.043 2.503 -5.413 1.00 0.00 H new ATOM 0 HB THR A 42 -1.196 4.902 -6.541 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.505 4.298 -4.579 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.471 3.960 -6.722 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.405 3.236 -7.949 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.824 2.319 -6.482 1.00 0.00 H new ATOM 604 N VAL A 43 -0.176 2.382 -8.665 1.00 0.00 N ATOM 605 CA VAL A 43 -0.299 1.464 -9.785 1.00 0.00 C ATOM 606 C VAL A 43 0.696 0.315 -9.608 1.00 0.00 C ATOM 607 O VAL A 43 0.297 -0.839 -9.459 1.00 0.00 O ATOM 608 CB VAL A 43 -0.115 2.219 -11.102 1.00 0.00 C ATOM 609 CG1 VAL A 43 -0.204 1.266 -12.297 1.00 0.00 C ATOM 610 CG2 VAL A 43 -1.130 3.355 -11.230 1.00 0.00 C ATOM 0 H VAL A 43 0.002 3.352 -8.926 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.297 1.027 -9.814 1.00 0.00 H new ATOM 0 HB VAL A 43 0.882 2.660 -11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.070 1.828 -13.221 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.575 0.508 -12.217 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.181 0.783 -12.305 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.977 3.875 -12.176 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.140 2.946 -11.201 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.998 4.055 -10.405 1.00 0.00 H new ATOM 620 N GLN A 44 1.972 0.670 -9.632 1.00 0.00 N ATOM 621 CA GLN A 44 3.026 -0.316 -9.477 1.00 0.00 C ATOM 622 C GLN A 44 2.729 -1.228 -8.285 1.00 0.00 C ATOM 623 O GLN A 44 2.676 -2.449 -8.431 1.00 0.00 O ATOM 624 CB GLN A 44 4.391 0.358 -9.323 1.00 0.00 C ATOM 625 CG GLN A 44 5.522 -0.671 -9.376 1.00 0.00 C ATOM 626 CD GLN A 44 6.751 -0.099 -10.085 1.00 0.00 C ATOM 627 OE1 GLN A 44 6.667 0.494 -11.148 1.00 0.00 O ATOM 628 NE2 GLN A 44 7.894 -0.310 -9.439 1.00 0.00 N ATOM 0 H GLN A 44 2.299 1.628 -9.757 1.00 0.00 H new ATOM 0 HA GLN A 44 3.059 -0.927 -10.379 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.528 1.095 -10.115 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.429 0.897 -8.376 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.790 -0.974 -8.364 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.181 -1.565 -9.897 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.893 -0.814 -8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.772 0.032 -9.830 1.00 0.00 H new ATOM 637 N LEU A 45 2.543 -0.602 -7.133 1.00 0.00 N ATOM 638 CA LEU A 45 2.251 -1.342 -5.917 1.00 0.00 C ATOM 639 C LEU A 45 1.132 -2.347 -6.193 1.00 0.00 C ATOM 640 O LEU A 45 1.151 -3.462 -5.672 1.00 0.00 O ATOM 641 CB LEU A 45 1.946 -0.382 -4.765 1.00 0.00 C ATOM 642 CG LEU A 45 0.590 -0.562 -4.083 1.00 0.00 C ATOM 643 CD1 LEU A 45 0.482 -1.941 -3.430 1.00 0.00 C ATOM 644 CD2 LEU A 45 0.322 0.567 -3.087 1.00 0.00 C ATOM 0 H LEU A 45 2.589 0.410 -7.015 1.00 0.00 H new ATOM 0 HA LEU A 45 3.123 -1.915 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.726 -0.491 -4.012 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.008 0.639 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.185 -0.507 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.493 -2.042 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.595 -2.714 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.266 -2.051 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.649 0.414 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.099 0.570 -2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.325 1.523 -3.611 1.00 0.00 H new ATOM 656 N LEU A 46 0.181 -1.916 -7.009 1.00 0.00 N ATOM 657 CA LEU A 46 -0.944 -2.765 -7.360 1.00 0.00 C ATOM 658 C LEU A 46 -0.446 -3.951 -8.188 1.00 0.00 C ATOM 659 O LEU A 46 -0.992 -5.050 -8.096 1.00 0.00 O ATOM 660 CB LEU A 46 -2.037 -1.947 -8.054 1.00 0.00 C ATOM 661 CG LEU A 46 -3.310 -1.703 -7.241 1.00 0.00 C ATOM 662 CD1 LEU A 46 -4.248 -0.738 -7.968 1.00 0.00 C ATOM 663 CD2 LEU A 46 -4.000 -3.022 -6.893 1.00 0.00 C ATOM 0 H LEU A 46 0.167 -0.990 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.405 -3.175 -6.461 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.618 -0.981 -8.334 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.312 -2.455 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.029 -1.230 -6.300 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.145 -0.582 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.742 0.216 -8.120 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.526 -1.159 -8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.902 -2.819 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.267 -3.546 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.324 -3.642 -6.305 1.00 0.00 H new ATOM 675 N LEU A 47 0.585 -3.689 -8.977 1.00 0.00 N ATOM 676 CA LEU A 47 1.164 -4.720 -9.821 1.00 0.00 C ATOM 677 C LEU A 47 1.793 -5.801 -8.939 1.00 0.00 C ATOM 678 O LEU A 47 1.709 -6.988 -9.250 1.00 0.00 O ATOM 679 CB LEU A 47 2.136 -4.106 -10.829 1.00 0.00 C ATOM 680 CG LEU A 47 1.930 -4.508 -12.291 1.00 0.00 C ATOM 681 CD1 LEU A 47 2.151 -6.009 -12.483 1.00 0.00 C ATOM 682 CD2 LEU A 47 0.555 -4.062 -12.794 1.00 0.00 C ATOM 0 H LEU A 47 1.035 -2.776 -9.050 1.00 0.00 H new ATOM 0 HA LEU A 47 0.389 -5.204 -10.416 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.064 -3.021 -10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.150 -4.378 -10.538 1.00 0.00 H new ATOM 0 HG LEU A 47 2.677 -3.993 -12.895 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.998 -6.268 -13.531 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.169 -6.267 -12.190 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.444 -6.563 -11.866 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.434 -4.360 -13.835 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.223 -4.530 -12.190 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.473 -2.978 -12.715 1.00 0.00 H new ATOM 694 N GLU A 48 2.411 -5.350 -7.856 1.00 0.00 N ATOM 695 CA GLU A 48 3.054 -6.263 -6.927 1.00 0.00 C ATOM 696 C GLU A 48 2.011 -6.923 -6.023 1.00 0.00 C ATOM 697 O GLU A 48 2.238 -8.013 -5.501 1.00 0.00 O ATOM 698 CB GLU A 48 4.120 -5.541 -6.100 1.00 0.00 C ATOM 699 CG GLU A 48 5.523 -6.022 -6.475 1.00 0.00 C ATOM 700 CD GLU A 48 6.236 -4.996 -7.358 1.00 0.00 C ATOM 701 OE1 GLU A 48 5.955 -3.793 -7.170 1.00 0.00 O ATOM 702 OE2 GLU A 48 7.047 -5.437 -8.201 1.00 0.00 O ATOM 0 H GLU A 48 2.480 -4.365 -7.602 1.00 0.00 H new ATOM 0 HA GLU A 48 3.553 -7.044 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.045 -4.466 -6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.943 -5.716 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.106 -6.196 -5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.457 -6.975 -7.000 1.00 0.00 H new ATOM 709 N LEU A 49 0.891 -6.234 -5.865 1.00 0.00 N ATOM 710 CA LEU A 49 -0.187 -6.738 -5.032 1.00 0.00 C ATOM 711 C LEU A 49 -1.074 -7.668 -5.863 1.00 0.00 C ATOM 712 O LEU A 49 -1.925 -8.370 -5.319 1.00 0.00 O ATOM 713 CB LEU A 49 -0.949 -5.582 -4.382 1.00 0.00 C ATOM 714 CG LEU A 49 -0.317 -4.988 -3.122 1.00 0.00 C ATOM 715 CD1 LEU A 49 -1.308 -4.082 -2.386 1.00 0.00 C ATOM 716 CD2 LEU A 49 0.236 -6.089 -2.214 1.00 0.00 C ATOM 0 H LEU A 49 0.707 -5.330 -6.300 1.00 0.00 H new ATOM 0 HA LEU A 49 0.213 -7.328 -4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.060 -4.786 -5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.952 -5.928 -4.133 1.00 0.00 H new ATOM 0 HG LEU A 49 0.526 -4.366 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.834 -3.673 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.612 -3.266 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.185 -4.661 -2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.680 -5.639 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.573 -6.757 -1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.996 -6.656 -2.751 1.00 0.00 H new ATOM 728 N GLN A 50 -0.844 -7.645 -7.168 1.00 0.00 N ATOM 729 CA GLN A 50 -1.611 -8.477 -8.078 1.00 0.00 C ATOM 730 C GLN A 50 -0.712 -9.545 -8.706 1.00 0.00 C ATOM 731 O GLN A 50 -1.051 -10.114 -9.743 1.00 0.00 O ATOM 732 CB GLN A 50 -2.289 -7.629 -9.156 1.00 0.00 C ATOM 733 CG GLN A 50 -3.420 -8.406 -9.834 1.00 0.00 C ATOM 734 CD GLN A 50 -3.256 -8.398 -11.355 1.00 0.00 C ATOM 735 OE1 GLN A 50 -2.629 -9.264 -11.943 1.00 0.00 O ATOM 736 NE2 GLN A 50 -3.852 -7.373 -11.958 1.00 0.00 N ATOM 0 H GLN A 50 -0.137 -7.063 -7.616 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.395 -8.978 -7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.686 -6.717 -8.710 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.554 -7.326 -9.901 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.428 -9.434 -9.471 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.380 -7.965 -9.566 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.361 -6.683 -11.406 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.800 -7.277 -12.972 1.00 0.00 H new ATOM 745 N SER A 51 0.414 -9.784 -8.052 1.00 0.00 N ATOM 746 CA SER A 51 1.363 -10.773 -8.532 1.00 0.00 C ATOM 747 C SER A 51 1.687 -11.773 -7.420 1.00 0.00 C ATOM 748 O SER A 51 1.493 -12.976 -7.586 1.00 0.00 O ATOM 749 CB SER A 51 2.646 -10.108 -9.036 1.00 0.00 C ATOM 750 OG SER A 51 3.552 -11.051 -9.599 1.00 0.00 O ATOM 0 H SER A 51 0.691 -9.309 -7.193 1.00 0.00 H new ATOM 0 HA SER A 51 0.907 -11.304 -9.368 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.394 -9.356 -9.784 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.132 -9.587 -8.211 1.00 0.00 H new ATOM 0 HG SER A 51 4.357 -10.586 -9.910 1.00 0.00 H new ATOM 756 N GLN A 52 2.173 -11.237 -6.309 1.00 0.00 N ATOM 757 CA GLN A 52 2.525 -12.067 -5.171 1.00 0.00 C ATOM 758 C GLN A 52 1.287 -12.349 -4.316 1.00 0.00 C ATOM 759 O GLN A 52 1.249 -13.330 -3.576 1.00 0.00 O ATOM 760 CB GLN A 52 3.629 -11.414 -4.337 1.00 0.00 C ATOM 761 CG GLN A 52 4.917 -11.267 -5.150 1.00 0.00 C ATOM 762 CD GLN A 52 5.891 -12.407 -4.842 1.00 0.00 C ATOM 763 OE1 GLN A 52 5.698 -13.546 -5.234 1.00 0.00 O ATOM 764 NE2 GLN A 52 6.946 -12.038 -4.121 1.00 0.00 N ATOM 0 H GLN A 52 2.331 -10.238 -6.174 1.00 0.00 H new ATOM 0 HA GLN A 52 2.909 -13.016 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.298 -10.434 -3.993 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.822 -12.015 -3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.681 -11.262 -6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.388 -10.310 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.047 -11.067 -3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.654 -12.726 -3.864 1.00 0.00 H new ATOM 773 N PHE A 53 0.304 -11.470 -4.449 1.00 0.00 N ATOM 774 CA PHE A 53 -0.932 -11.612 -3.699 1.00 0.00 C ATOM 775 C PHE A 53 -2.126 -11.795 -4.638 1.00 0.00 C ATOM 776 O PHE A 53 -3.123 -12.413 -4.269 1.00 0.00 O ATOM 777 CB PHE A 53 -1.121 -10.322 -2.899 1.00 0.00 C ATOM 778 CG PHE A 53 0.165 -9.787 -2.267 1.00 0.00 C ATOM 779 CD1 PHE A 53 1.122 -9.220 -3.049 1.00 0.00 C ATOM 780 CD2 PHE A 53 0.353 -9.880 -0.923 1.00 0.00 C ATOM 781 CE1 PHE A 53 2.316 -8.724 -2.462 1.00 0.00 C ATOM 782 CE2 PHE A 53 1.547 -9.384 -0.336 1.00 0.00 C ATOM 783 CZ PHE A 53 2.504 -8.816 -1.118 1.00 0.00 C ATOM 0 H PHE A 53 0.339 -10.658 -5.065 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.875 -12.487 -3.052 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.536 -9.557 -3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.854 -10.499 -2.112 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.974 -9.147 -4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.406 -10.331 -0.302 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.076 -8.273 -3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.695 -9.458 0.731 1.00 0.00 H new ATOM 0 HZ PHE A 53 3.412 -8.438 -0.672 1.00 0.00 H new ATOM 793 N GLY A 54 -1.984 -11.247 -5.837 1.00 0.00 N ATOM 794 CA GLY A 54 -3.038 -11.342 -6.832 1.00 0.00 C ATOM 795 C GLY A 54 -4.310 -10.640 -6.352 1.00 0.00 C ATOM 796 O GLY A 54 -5.408 -11.180 -6.482 1.00 0.00 O ATOM 0 H GLY A 54 -1.155 -10.736 -6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.702 -10.894 -7.767 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.253 -12.390 -7.040 1.00 0.00 H new ATOM 800 N VAL A 55 -4.120 -9.447 -5.809 1.00 0.00 N ATOM 801 CA VAL A 55 -5.238 -8.665 -5.310 1.00 0.00 C ATOM 802 C VAL A 55 -6.015 -8.082 -6.492 1.00 0.00 C ATOM 803 O VAL A 55 -5.488 -7.984 -7.598 1.00 0.00 O ATOM 804 CB VAL A 55 -4.736 -7.594 -4.338 1.00 0.00 C ATOM 805 CG1 VAL A 55 -5.881 -6.688 -3.882 1.00 0.00 C ATOM 806 CG2 VAL A 55 -4.029 -8.230 -3.140 1.00 0.00 C ATOM 0 H VAL A 55 -3.208 -9.003 -5.704 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.926 -9.298 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.010 -6.976 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.497 -5.936 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.322 -6.195 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.641 -7.287 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.682 -7.448 -2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.724 -8.883 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.176 -8.813 -3.488 1.00 0.00 H new ATOM 816 N ASP A 56 -7.257 -7.709 -6.217 1.00 0.00 N ATOM 817 CA ASP A 56 -8.113 -7.140 -7.244 1.00 0.00 C ATOM 818 C ASP A 56 -8.749 -5.853 -6.714 1.00 0.00 C ATOM 819 O ASP A 56 -9.723 -5.900 -5.964 1.00 0.00 O ATOM 820 CB ASP A 56 -9.239 -8.104 -7.620 1.00 0.00 C ATOM 821 CG ASP A 56 -10.276 -7.537 -8.592 1.00 0.00 C ATOM 822 OD1 ASP A 56 -9.865 -7.177 -9.715 1.00 0.00 O ATOM 823 OD2 ASP A 56 -11.458 -7.478 -8.188 1.00 0.00 O ATOM 0 H ASP A 56 -7.691 -7.790 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.500 -6.943 -8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.799 -8.998 -8.062 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.749 -8.416 -6.709 1.00 0.00 H new ATOM 828 N ALA A 57 -8.172 -4.732 -7.126 1.00 0.00 N ATOM 829 CA ALA A 57 -8.670 -3.435 -6.702 1.00 0.00 C ATOM 830 C ALA A 57 -8.901 -2.556 -7.933 1.00 0.00 C ATOM 831 O ALA A 57 -8.341 -2.814 -8.999 1.00 0.00 O ATOM 832 CB ALA A 57 -7.686 -2.807 -5.714 1.00 0.00 C ATOM 0 H ALA A 57 -7.365 -4.696 -7.749 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.625 -3.540 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.060 -1.834 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.579 -3.456 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.716 -2.683 -6.196 1.00 0.00 H new ATOM 838 N PRO A 58 -9.747 -1.509 -7.741 1.00 0.00 N ATOM 839 CA PRO A 58 -10.059 -0.590 -8.823 1.00 0.00 C ATOM 840 C PRO A 58 -8.889 0.359 -9.089 1.00 0.00 C ATOM 841 O PRO A 58 -7.814 0.203 -8.513 1.00 0.00 O ATOM 842 CB PRO A 58 -11.319 0.131 -8.376 1.00 0.00 C ATOM 843 CG PRO A 58 -11.405 -0.072 -6.872 1.00 0.00 C ATOM 844 CD PRO A 58 -10.428 -1.173 -6.494 1.00 0.00 C ATOM 0 HA PRO A 58 -10.224 -1.098 -9.773 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -11.271 1.191 -8.625 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.199 -0.274 -8.876 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.161 0.852 -6.348 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -12.419 -0.345 -6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.722 -0.833 -5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.947 -2.038 -6.081 1.00 0.00 H new ATOM 852 N VAL A 59 -9.138 1.323 -9.964 1.00 0.00 N ATOM 853 CA VAL A 59 -8.119 2.298 -10.314 1.00 0.00 C ATOM 854 C VAL A 59 -8.794 3.584 -10.796 1.00 0.00 C ATOM 855 O VAL A 59 -8.408 4.680 -10.393 1.00 0.00 O ATOM 856 CB VAL A 59 -7.159 1.704 -11.345 1.00 0.00 C ATOM 857 CG1 VAL A 59 -6.078 2.714 -11.734 1.00 0.00 C ATOM 858 CG2 VAL A 59 -6.537 0.404 -10.831 1.00 0.00 C ATOM 0 H VAL A 59 -10.031 1.449 -10.441 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.519 2.554 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.734 1.468 -12.241 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.409 2.266 -12.468 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.546 3.600 -12.162 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.508 2.996 -10.849 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.858 0.003 -11.584 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.984 0.603 -9.913 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.325 -0.322 -10.629 1.00 0.00 H new ATOM 868 N SER A 60 -9.790 3.407 -11.652 1.00 0.00 N ATOM 869 CA SER A 60 -10.522 4.539 -12.193 1.00 0.00 C ATOM 870 C SER A 60 -10.683 5.619 -11.122 1.00 0.00 C ATOM 871 O SER A 60 -10.686 6.809 -11.431 1.00 0.00 O ATOM 872 CB SER A 60 -11.892 4.108 -12.721 1.00 0.00 C ATOM 873 OG SER A 60 -12.348 2.907 -12.105 1.00 0.00 O ATOM 0 H SER A 60 -10.107 2.496 -11.984 1.00 0.00 H new ATOM 0 HA SER A 60 -9.952 4.946 -13.028 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.616 4.904 -12.544 1.00 0.00 H new ATOM 0 HB3 SER A 60 -11.836 3.963 -13.800 1.00 0.00 H new ATOM 0 HG SER A 60 -13.226 2.666 -12.468 1.00 0.00 H new ATOM 879 N GLU A 61 -10.814 5.164 -9.884 1.00 0.00 N ATOM 880 CA GLU A 61 -10.976 6.076 -8.764 1.00 0.00 C ATOM 881 C GLU A 61 -11.211 5.294 -7.471 1.00 0.00 C ATOM 882 O GLU A 61 -12.203 5.516 -6.779 1.00 0.00 O ATOM 883 CB GLU A 61 -12.115 7.065 -9.023 1.00 0.00 C ATOM 884 CG GLU A 61 -11.694 8.492 -8.668 1.00 0.00 C ATOM 885 CD GLU A 61 -12.820 9.486 -8.962 1.00 0.00 C ATOM 886 OE1 GLU A 61 -13.655 9.682 -8.053 1.00 0.00 O ATOM 887 OE2 GLU A 61 -12.820 10.025 -10.090 1.00 0.00 O ATOM 0 H GLU A 61 -10.811 4.176 -9.632 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.057 6.652 -8.654 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.410 7.019 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.988 6.782 -8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.425 8.544 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.805 8.765 -9.237 1.00 0.00 H new ATOM 894 N PHE A 62 -10.281 4.395 -7.184 1.00 0.00 N ATOM 895 CA PHE A 62 -10.374 3.579 -5.986 1.00 0.00 C ATOM 896 C PHE A 62 -10.512 4.451 -4.736 1.00 0.00 C ATOM 897 O PHE A 62 -10.701 5.663 -4.839 1.00 0.00 O ATOM 898 CB PHE A 62 -9.076 2.773 -5.891 1.00 0.00 C ATOM 899 CG PHE A 62 -7.824 3.565 -6.274 1.00 0.00 C ATOM 900 CD1 PHE A 62 -7.619 4.806 -5.757 1.00 0.00 C ATOM 901 CD2 PHE A 62 -6.915 3.028 -7.131 1.00 0.00 C ATOM 902 CE1 PHE A 62 -6.457 5.541 -6.111 1.00 0.00 C ATOM 903 CE2 PHE A 62 -5.753 3.762 -7.486 1.00 0.00 C ATOM 904 CZ PHE A 62 -5.548 5.003 -6.969 1.00 0.00 C ATOM 0 H PHE A 62 -9.459 4.214 -7.761 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.250 2.934 -6.044 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -8.963 2.404 -4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.154 1.900 -6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -8.341 5.233 -5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.077 2.042 -7.542 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.295 6.526 -5.700 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.032 3.335 -8.167 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.664 5.561 -7.239 1.00 0.00 H new ATOM 914 N ASP A 63 -10.411 3.802 -3.586 1.00 0.00 N ATOM 915 CA ASP A 63 -10.522 4.504 -2.319 1.00 0.00 C ATOM 916 C ASP A 63 -9.121 4.834 -1.799 1.00 0.00 C ATOM 917 O ASP A 63 -8.572 4.102 -0.977 1.00 0.00 O ATOM 918 CB ASP A 63 -11.223 3.639 -1.270 1.00 0.00 C ATOM 919 CG ASP A 63 -11.440 2.179 -1.674 1.00 0.00 C ATOM 920 OD1 ASP A 63 -12.400 1.938 -2.438 1.00 0.00 O ATOM 921 OD2 ASP A 63 -10.639 1.338 -1.212 1.00 0.00 O ATOM 0 H ASP A 63 -10.253 2.798 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 63 -11.103 5.411 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.637 3.663 -0.351 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.191 4.085 -1.042 1.00 0.00 H new ATOM 926 N ARG A 64 -8.583 5.936 -2.300 1.00 0.00 N ATOM 927 CA ARG A 64 -7.256 6.371 -1.897 1.00 0.00 C ATOM 928 C ARG A 64 -7.112 6.292 -0.377 1.00 0.00 C ATOM 929 O ARG A 64 -6.014 6.077 0.136 1.00 0.00 O ATOM 930 CB ARG A 64 -6.986 7.807 -2.354 1.00 0.00 C ATOM 931 CG ARG A 64 -8.251 8.661 -2.255 1.00 0.00 C ATOM 932 CD ARG A 64 -7.964 9.985 -1.541 1.00 0.00 C ATOM 933 NE ARG A 64 -8.747 10.065 -0.288 1.00 0.00 N ATOM 934 CZ ARG A 64 -8.828 11.160 0.480 1.00 0.00 C ATOM 935 NH1 ARG A 64 -8.173 12.274 0.126 1.00 0.00 N ATOM 936 NH2 ARG A 64 -9.563 11.142 1.600 1.00 0.00 N ATOM 0 H ARG A 64 -9.042 6.541 -2.981 1.00 0.00 H new ATOM 0 HA ARG A 64 -6.531 5.708 -2.369 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.198 8.245 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.625 7.803 -3.382 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.640 8.859 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.023 8.113 -1.716 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.900 10.065 -1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.218 10.821 -2.192 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.258 9.234 0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.614 12.288 -0.727 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.234 13.108 0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.062 10.294 1.869 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.624 11.976 2.184 1.00 0.00 H new ATOM 950 N LYS A 65 -8.235 6.469 0.304 1.00 0.00 N ATOM 951 CA LYS A 65 -8.247 6.420 1.756 1.00 0.00 C ATOM 952 C LYS A 65 -7.735 5.055 2.220 1.00 0.00 C ATOM 953 O LYS A 65 -7.048 4.957 3.236 1.00 0.00 O ATOM 954 CB LYS A 65 -9.636 6.771 2.293 1.00 0.00 C ATOM 955 CG LYS A 65 -9.867 6.142 3.668 1.00 0.00 C ATOM 956 CD LYS A 65 -10.665 7.082 4.574 1.00 0.00 C ATOM 957 CE LYS A 65 -9.737 7.870 5.501 1.00 0.00 C ATOM 958 NZ LYS A 65 -10.384 8.096 6.812 1.00 0.00 N ATOM 0 H LYS A 65 -9.144 6.647 -0.124 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.573 7.171 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.740 7.854 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.398 6.421 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.402 5.199 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.908 5.911 4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.248 7.773 3.964 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.374 6.505 5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.803 7.325 5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.484 8.827 5.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.741 8.632 7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.263 8.635 6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.604 7.180 7.253 1.00 0.00 H new ATOM 972 N GLU A 66 -8.090 4.034 1.453 1.00 0.00 N ATOM 973 CA GLU A 66 -7.675 2.679 1.772 1.00 0.00 C ATOM 974 C GLU A 66 -6.252 2.425 1.269 1.00 0.00 C ATOM 975 O GLU A 66 -5.533 1.597 1.822 1.00 0.00 O ATOM 976 CB GLU A 66 -8.653 1.655 1.192 1.00 0.00 C ATOM 977 CG GLU A 66 -8.200 0.226 1.501 1.00 0.00 C ATOM 978 CD GLU A 66 -9.400 -0.680 1.783 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.341 -0.647 0.962 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.348 -1.386 2.814 1.00 0.00 O ATOM 0 H GLU A 66 -8.660 4.119 0.612 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.681 2.565 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.648 1.822 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -8.729 1.791 0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.631 -0.169 0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.533 0.230 2.363 1.00 0.00 H new ATOM 987 N TRP A 67 -5.892 3.155 0.224 1.00 0.00 N ATOM 988 CA TRP A 67 -4.568 3.021 -0.361 1.00 0.00 C ATOM 989 C TRP A 67 -3.723 4.209 0.103 1.00 0.00 C ATOM 990 O TRP A 67 -2.723 4.549 -0.529 1.00 0.00 O ATOM 991 CB TRP A 67 -4.650 2.905 -1.884 1.00 0.00 C ATOM 992 CG TRP A 67 -5.728 1.936 -2.377 1.00 0.00 C ATOM 993 CD1 TRP A 67 -6.967 2.224 -2.797 1.00 0.00 C ATOM 994 CD2 TRP A 67 -5.610 0.502 -2.484 1.00 0.00 C ATOM 995 NE1 TRP A 67 -7.654 1.086 -3.165 1.00 0.00 N ATOM 996 CE2 TRP A 67 -6.802 0.004 -2.970 1.00 0.00 C ATOM 997 CE3 TRP A 67 -4.531 -0.348 -2.182 1.00 0.00 C ATOM 998 CZ2 TRP A 67 -7.030 -1.359 -3.195 1.00 0.00 C ATOM 999 CZ3 TRP A 67 -4.774 -1.707 -2.413 1.00 0.00 C ATOM 1000 CH2 TRP A 67 -5.969 -2.223 -2.900 1.00 0.00 C ATOM 0 H TRP A 67 -6.493 3.841 -0.233 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.090 2.101 -0.025 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.844 3.892 -2.303 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -3.682 2.581 -2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -7.377 3.222 -2.842 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.611 1.045 -3.516 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.589 0.019 -1.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -7.973 -1.724 -3.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.977 -2.403 -2.198 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.079 -3.287 -3.050 1.00 0.00 H new ATOM 1011 N ASP A 68 -4.154 4.808 1.202 1.00 0.00 N ATOM 1012 CA ASP A 68 -3.451 5.951 1.758 1.00 0.00 C ATOM 1013 C ASP A 68 -2.456 5.467 2.815 1.00 0.00 C ATOM 1014 O ASP A 68 -1.333 5.965 2.890 1.00 0.00 O ATOM 1015 CB ASP A 68 -4.422 6.922 2.433 1.00 0.00 C ATOM 1016 CG ASP A 68 -3.812 7.777 3.545 1.00 0.00 C ATOM 1017 OD1 ASP A 68 -2.852 8.515 3.233 1.00 0.00 O ATOM 1018 OD2 ASP A 68 -4.320 7.676 4.683 1.00 0.00 O ATOM 0 H ASP A 68 -4.983 4.523 1.724 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.941 6.462 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.838 7.584 1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.253 6.352 2.848 1.00 0.00 H new ATOM 1023 N THR A 69 -2.904 4.503 3.606 1.00 0.00 N ATOM 1024 CA THR A 69 -2.065 3.946 4.654 1.00 0.00 C ATOM 1025 C THR A 69 -1.666 2.509 4.312 1.00 0.00 C ATOM 1026 O THR A 69 -2.255 1.892 3.426 1.00 0.00 O ATOM 1027 CB THR A 69 -2.824 4.067 5.978 1.00 0.00 C ATOM 1028 OG1 THR A 69 -3.728 2.965 5.962 1.00 0.00 O ATOM 1029 CG2 THR A 69 -3.734 5.296 6.022 1.00 0.00 C ATOM 0 H THR A 69 -3.836 4.094 3.542 1.00 0.00 H new ATOM 0 HA THR A 69 -1.128 4.496 4.746 1.00 0.00 H new ATOM 0 HB THR A 69 -2.111 4.114 6.801 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.259 2.966 6.785 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.248 5.334 6.982 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.134 6.197 5.896 1.00 0.00 H new ATOM 0 HG23 THR A 69 -4.469 5.234 5.219 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.643 2.005 5.051 1.00 0.00 N ATOM 1038 CA PRO A 70 -0.158 0.653 4.836 1.00 0.00 C ATOM 1039 C PRO A 70 -1.129 -0.377 5.415 1.00 0.00 C ATOM 1040 O PRO A 70 -1.314 -1.452 4.845 1.00 0.00 O ATOM 1041 CB PRO A 70 1.211 0.615 5.495 1.00 0.00 C ATOM 1042 CG PRO A 70 1.245 1.796 6.452 1.00 0.00 C ATOM 1043 CD PRO A 70 0.078 2.707 6.109 1.00 0.00 C ATOM 0 HA PRO A 70 -0.083 0.397 3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.362 -0.324 6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.005 0.691 4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.171 1.453 7.484 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.189 2.334 6.361 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.559 2.877 6.977 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.424 3.684 5.771 1.00 0.00 H new ATOM 1051 N ASN A 71 -1.725 -0.013 6.542 1.00 0.00 N ATOM 1052 CA ASN A 71 -2.673 -0.892 7.205 1.00 0.00 C ATOM 1053 C ASN A 71 -3.883 -1.111 6.294 1.00 0.00 C ATOM 1054 O ASN A 71 -4.141 -2.231 5.857 1.00 0.00 O ATOM 1055 CB ASN A 71 -3.171 -0.277 8.514 1.00 0.00 C ATOM 1056 CG ASN A 71 -2.679 -1.079 9.720 1.00 0.00 C ATOM 1057 OD1 ASN A 71 -2.577 -2.295 9.689 1.00 0.00 O ATOM 1058 ND2 ASN A 71 -2.381 -0.334 10.781 1.00 0.00 N ATOM 0 H ASN A 71 -1.569 0.879 7.012 1.00 0.00 H new ATOM 0 HA ASN A 71 -2.167 -1.834 7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.823 0.753 8.591 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.261 -0.246 8.514 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.044 -0.776 11.636 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.489 0.679 10.739 1.00 0.00 H new ATOM 1065 N LYS A 72 -4.593 -0.022 6.035 1.00 0.00 N ATOM 1066 CA LYS A 72 -5.769 -0.081 5.184 1.00 0.00 C ATOM 1067 C LYS A 72 -5.460 -0.933 3.951 1.00 0.00 C ATOM 1068 O LYS A 72 -6.343 -1.600 3.416 1.00 0.00 O ATOM 1069 CB LYS A 72 -6.260 1.329 4.849 1.00 0.00 C ATOM 1070 CG LYS A 72 -7.571 1.639 5.573 1.00 0.00 C ATOM 1071 CD LYS A 72 -7.828 3.146 5.620 1.00 0.00 C ATOM 1072 CE LYS A 72 -7.663 3.687 7.042 1.00 0.00 C ATOM 1073 NZ LYS A 72 -8.664 3.078 7.947 1.00 0.00 N ATOM 0 H LYS A 72 -4.376 0.906 6.400 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.593 -0.565 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.502 2.059 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.404 1.422 3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.397 1.141 5.066 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.534 1.241 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.137 3.657 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.835 3.358 5.261 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.658 3.473 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.777 4.771 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.875 3.736 8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.536 2.879 7.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.286 2.191 8.337 1.00 0.00 H new ATOM 1087 N ILE A 73 -4.201 -0.883 3.538 1.00 0.00 N ATOM 1088 CA ILE A 73 -3.765 -1.642 2.378 1.00 0.00 C ATOM 1089 C ILE A 73 -3.528 -3.097 2.786 1.00 0.00 C ATOM 1090 O ILE A 73 -4.066 -4.014 2.167 1.00 0.00 O ATOM 1091 CB ILE A 73 -2.546 -0.979 1.732 1.00 0.00 C ATOM 1092 CG1 ILE A 73 -2.953 0.273 0.953 1.00 0.00 C ATOM 1093 CG2 ILE A 73 -1.779 -1.975 0.859 1.00 0.00 C ATOM 1094 CD1 ILE A 73 -1.754 0.872 0.214 1.00 0.00 C ATOM 0 H ILE A 73 -3.470 -0.329 3.986 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.541 -1.647 1.612 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.870 -0.659 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.737 0.022 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.370 1.012 1.637 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.918 -1.479 0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.439 -2.810 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.433 -2.347 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.070 1.761 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.982 1.144 0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.355 0.139 -0.487 1.00 0.00 H new ATOM 1106 N ILE A 74 -2.724 -3.265 3.826 1.00 0.00 N ATOM 1107 CA ILE A 74 -2.410 -4.593 4.323 1.00 0.00 C ATOM 1108 C ILE A 74 -3.708 -5.381 4.514 1.00 0.00 C ATOM 1109 O ILE A 74 -3.705 -6.610 4.465 1.00 0.00 O ATOM 1110 CB ILE A 74 -1.554 -4.503 5.588 1.00 0.00 C ATOM 1111 CG1 ILE A 74 -0.063 -4.516 5.244 1.00 0.00 C ATOM 1112 CG2 ILE A 74 -1.924 -5.607 6.581 1.00 0.00 C ATOM 1113 CD1 ILE A 74 0.785 -4.160 6.466 1.00 0.00 C ATOM 0 H ILE A 74 -2.281 -2.502 4.338 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.808 -5.139 3.597 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.763 -3.550 6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.220 -5.502 4.875 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.135 -3.806 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.301 -5.520 7.471 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.973 -5.508 6.861 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.763 -6.581 6.119 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.840 -4.177 6.194 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.516 -3.164 6.817 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.603 -4.886 7.259 1.00 0.00 H new ATOM 1125 N ALA A 75 -4.786 -4.642 4.728 1.00 0.00 N ATOM 1126 CA ALA A 75 -6.087 -5.256 4.926 1.00 0.00 C ATOM 1127 C ALA A 75 -6.665 -5.665 3.570 1.00 0.00 C ATOM 1128 O ALA A 75 -7.341 -6.687 3.462 1.00 0.00 O ATOM 1129 CB ALA A 75 -7.000 -4.286 5.680 1.00 0.00 C ATOM 0 H ALA A 75 -4.785 -3.623 4.769 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.997 -6.158 5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.977 -4.747 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.559 -4.050 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.115 -3.370 5.101 1.00 0.00 H new ATOM 1135 N LYS A 76 -6.379 -4.846 2.569 1.00 0.00 N ATOM 1136 CA LYS A 76 -6.861 -5.111 1.224 1.00 0.00 C ATOM 1137 C LYS A 76 -6.141 -6.337 0.661 1.00 0.00 C ATOM 1138 O LYS A 76 -6.729 -7.117 -0.088 1.00 0.00 O ATOM 1139 CB LYS A 76 -6.724 -3.862 0.350 1.00 0.00 C ATOM 1140 CG LYS A 76 -7.983 -2.995 0.431 1.00 0.00 C ATOM 1141 CD LYS A 76 -9.201 -3.745 -0.110 1.00 0.00 C ATOM 1142 CE LYS A 76 -10.028 -2.850 -1.035 1.00 0.00 C ATOM 1143 NZ LYS A 76 -11.475 -3.101 -0.841 1.00 0.00 N ATOM 0 H LYS A 76 -5.819 -3.998 2.662 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.925 -5.346 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.858 -3.283 0.670 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.546 -4.155 -0.685 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.162 -2.703 1.466 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.834 -2.077 -0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.875 -4.632 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.820 -4.088 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.804 -1.803 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.756 -3.040 -2.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.022 -2.486 -1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.687 -4.096 -1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.733 -2.898 0.146 1.00 0.00 H new ATOM 1157 N VAL A 77 -4.880 -6.470 1.041 1.00 0.00 N ATOM 1158 CA VAL A 77 -4.073 -7.589 0.583 1.00 0.00 C ATOM 1159 C VAL A 77 -4.545 -8.869 1.276 1.00 0.00 C ATOM 1160 O VAL A 77 -4.619 -9.926 0.650 1.00 0.00 O ATOM 1161 CB VAL A 77 -2.590 -7.295 0.817 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -1.711 -8.380 0.190 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -2.214 -5.910 0.284 1.00 0.00 C ATOM 0 H VAL A 77 -4.396 -5.821 1.662 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.196 -7.735 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.413 -7.299 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.662 -8.147 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.951 -9.345 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.894 -8.421 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.155 -5.726 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.414 -5.866 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.805 -5.150 0.795 1.00 0.00 H new ATOM 1173 N GLU A 78 -4.851 -8.732 2.557 1.00 0.00 N ATOM 1174 CA GLU A 78 -5.313 -9.865 3.341 1.00 0.00 C ATOM 1175 C GLU A 78 -6.755 -10.217 2.967 1.00 0.00 C ATOM 1176 O GLU A 78 -7.167 -11.370 3.084 1.00 0.00 O ATOM 1177 CB GLU A 78 -5.190 -9.582 4.840 1.00 0.00 C ATOM 1178 CG GLU A 78 -3.726 -9.595 5.282 1.00 0.00 C ATOM 1179 CD GLU A 78 -3.416 -10.840 6.116 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -4.319 -11.252 6.877 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -2.285 -11.352 5.973 1.00 0.00 O ATOM 0 H GLU A 78 -4.788 -7.854 3.072 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.679 -10.722 3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.634 -8.613 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.750 -10.330 5.402 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.078 -9.569 4.406 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.510 -8.700 5.865 1.00 0.00 H new ATOM 1188 N GLN A 79 -7.481 -9.202 2.523 1.00 0.00 N ATOM 1189 CA GLN A 79 -8.867 -9.390 2.129 1.00 0.00 C ATOM 1190 C GLN A 79 -8.957 -9.710 0.636 1.00 0.00 C ATOM 1191 O GLN A 79 -9.992 -9.481 0.009 1.00 0.00 O ATOM 1192 CB GLN A 79 -9.708 -8.160 2.478 1.00 0.00 C ATOM 1193 CG GLN A 79 -11.200 -8.498 2.482 1.00 0.00 C ATOM 1194 CD GLN A 79 -12.024 -7.337 3.044 1.00 0.00 C ATOM 1195 OE1 GLN A 79 -12.476 -6.459 2.328 1.00 0.00 O ATOM 1196 NE2 GLN A 79 -12.194 -7.383 4.363 1.00 0.00 N ATOM 0 H GLN A 79 -7.136 -8.247 2.427 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.270 -10.236 2.686 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.415 -7.781 3.457 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.513 -7.366 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.528 -8.724 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -11.372 -9.393 3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -11.788 -8.147 4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.730 -6.654 4.834 1.00 0.00 H new ATOM 1205 N ALA A 80 -7.860 -10.233 0.108 1.00 0.00 N ATOM 1206 CA ALA A 80 -7.802 -10.586 -1.300 1.00 0.00 C ATOM 1207 C ALA A 80 -7.473 -12.074 -1.434 1.00 0.00 C ATOM 1208 O ALA A 80 -8.076 -12.776 -2.246 1.00 0.00 O ATOM 1209 CB ALA A 80 -6.779 -9.697 -2.007 1.00 0.00 C ATOM 0 H ALA A 80 -7.004 -10.421 0.630 1.00 0.00 H new ATOM 0 HA ALA A 80 -8.767 -10.417 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.735 -9.962 -3.063 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.074 -8.652 -1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.797 -9.842 -1.556 1.00 0.00 H new ATOM 1215 N GLN A 81 -6.519 -12.513 -0.627 1.00 0.00 N ATOM 1216 CA GLN A 81 -6.103 -13.905 -0.646 1.00 0.00 C ATOM 1217 C GLN A 81 -7.327 -14.824 -0.655 1.00 0.00 C ATOM 1218 O GLN A 81 -8.309 -14.562 0.036 1.00 0.00 O ATOM 1219 CB GLN A 81 -5.189 -14.219 0.539 1.00 0.00 C ATOM 1220 CG GLN A 81 -3.974 -13.290 0.557 1.00 0.00 C ATOM 1221 CD GLN A 81 -3.280 -13.268 -0.806 1.00 0.00 C ATOM 1222 OE1 GLN A 81 -2.321 -13.980 -1.054 1.00 0.00 O ATOM 1223 NE2 GLN A 81 -3.817 -12.414 -1.672 1.00 0.00 N ATOM 0 H GLN A 81 -6.022 -11.929 0.045 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.534 -14.083 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.746 -14.113 1.470 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.857 -15.256 0.482 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.287 -12.281 0.826 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.271 -13.620 1.322 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.620 -11.848 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.426 -12.325 -2.610 1.00 0.00 H new