USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 460 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 19 LYS NZ :NH3+ 152:sc= -0.547 (180deg=-2.66!) USER MOD Single : A 21 LYS NZ :NH3+ -124:sc= 1.16 (180deg=-0.504) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.05) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 31 GLN : amide:sc= 0.14 K(o=0.14,f=-2.5) USER MOD Single : A 33 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0098) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 41 MET CE :methyl -161:sc= -0.111 (180deg=-0.63) USER MOD Single : A 42 HIS : no HE2:sc= 0.431 K(o=0.43,f=-2.6!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN : amide:sc= -0.878 K(o=-0.88,f=-0.0029) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.588 (180deg=-1.22) USER MOD Single : A 51 SER OG : rot 180:sc= -0.042 USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0535) USER MOD Single : A 56 TYR OH : rot -111:sc= 1.27 USER MOD Single : A 57 SER OG : rot 90:sc= -0.771 USER MOD Single : A 59 THR OG1 : rot -63:sc= 0.792 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.981 K(o=-0.98,f=-0.096) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 19 0.655 -0.301 1.186 1.00 75.53 N ATOM 2 CA LYS A 19 1.575 -0.037 0.055 1.00 53.33 C ATOM 3 C LYS A 19 0.866 0.716 -1.065 1.00 64.12 C ATOM 4 O LYS A 19 1.380 1.714 -1.562 1.00 40.24 O ATOM 5 CB LYS A 19 2.151 -1.359 -0.474 1.00 75.22 C ATOM 6 CG LYS A 19 3.155 -1.188 -1.605 1.00 54.14 C ATOM 7 CD LYS A 19 3.828 -2.505 -1.981 1.00 41.15 C ATOM 8 CE LYS A 19 5.011 -2.842 -1.072 1.00 74.23 C ATOM 9 NZ LYS A 19 4.608 -3.089 0.341 1.00 25.53 N ATOM 0 HA LYS A 19 2.391 0.588 0.417 1.00 53.33 H new ATOM 0 HB2 LYS A 19 2.632 -1.889 0.348 1.00 75.22 H new ATOM 0 HB3 LYS A 19 1.331 -1.987 -0.822 1.00 75.22 H new ATOM 0 HG2 LYS A 19 2.649 -0.778 -2.479 1.00 54.14 H new ATOM 0 HG3 LYS A 19 3.915 -0.465 -1.308 1.00 54.14 H new ATOM 0 HD2 LYS A 19 3.095 -3.310 -1.931 1.00 41.15 H new ATOM 0 HD3 LYS A 19 4.172 -2.451 -3.014 1.00 41.15 H new ATOM 0 HE2 LYS A 19 5.519 -3.725 -1.459 1.00 74.23 H new ATOM 0 HE3 LYS A 19 5.729 -2.023 -1.101 1.00 74.23 H new ATOM 0 HZ1 LYS A 19 5.286 -3.740 0.787 1.00 25.53 H new ATOM 0 HZ2 LYS A 19 4.599 -2.189 0.862 1.00 25.53 H new ATOM 0 HZ3 LYS A 19 3.658 -3.511 0.362 1.00 25.53 H new ATOM 25 N ASP A 20 -0.320 0.243 -1.444 1.00 12.14 N ATOM 26 CA ASP A 20 -1.064 0.816 -2.565 1.00 42.24 C ATOM 27 C ASP A 20 -1.402 2.287 -2.323 1.00 64.40 C ATOM 28 O ASP A 20 -2.242 2.623 -1.487 1.00 11.41 O ATOM 29 CB ASP A 20 -2.343 0.007 -2.827 1.00 13.42 C ATOM 30 CG ASP A 20 -3.303 0.007 -1.651 1.00 1.23 C ATOM 31 OD1 ASP A 20 -2.908 -0.436 -0.550 1.00 33.32 O ATOM 32 OD2 ASP A 20 -4.462 0.440 -1.824 1.00 13.31 O ATOM 0 H ASP A 20 -0.789 -0.540 -0.988 1.00 12.14 H new ATOM 0 HA ASP A 20 -0.426 0.765 -3.447 1.00 42.24 H new ATOM 0 HB2 ASP A 20 -2.850 0.415 -3.701 1.00 13.42 H new ATOM 0 HB3 ASP A 20 -2.072 -1.021 -3.066 1.00 13.42 H new ATOM 37 N LYS A 21 -0.713 3.162 -3.043 1.00 74.23 N ATOM 38 CA LYS A 21 -0.949 4.595 -2.957 1.00 71.14 C ATOM 39 C LYS A 21 -0.735 5.255 -4.311 1.00 53.12 C ATOM 40 O LYS A 21 0.074 4.795 -5.121 1.00 23.14 O ATOM 41 CB LYS A 21 -0.042 5.241 -1.903 1.00 63.13 C ATOM 42 CG LYS A 21 -0.512 5.016 -0.476 1.00 43.31 C ATOM 43 CD LYS A 21 -1.888 5.631 -0.255 1.00 25.20 C ATOM 44 CE LYS A 21 -2.520 5.169 1.048 1.00 44.11 C ATOM 45 NZ LYS A 21 -2.816 3.711 1.035 1.00 62.04 N ATOM 0 H LYS A 21 0.022 2.899 -3.700 1.00 74.23 H new ATOM 0 HA LYS A 21 -1.985 4.745 -2.654 1.00 71.14 H new ATOM 0 HB2 LYS A 21 0.967 4.843 -2.011 1.00 63.13 H new ATOM 0 HB3 LYS A 21 0.016 6.313 -2.093 1.00 63.13 H new ATOM 0 HG2 LYS A 21 -0.548 3.947 -0.265 1.00 43.31 H new ATOM 0 HG3 LYS A 21 0.203 5.454 0.220 1.00 43.31 H new ATOM 0 HD2 LYS A 21 -1.802 6.718 -0.250 1.00 25.20 H new ATOM 0 HD3 LYS A 21 -2.540 5.367 -1.087 1.00 25.20 H new ATOM 0 HE2 LYS A 21 -1.850 5.396 1.877 1.00 44.11 H new ATOM 0 HE3 LYS A 21 -3.441 5.725 1.222 1.00 44.11 H new ATOM 0 HZ1 LYS A 21 -3.825 3.560 1.236 1.00 62.04 H new ATOM 0 HZ2 LYS A 21 -2.587 3.319 0.099 1.00 62.04 H new ATOM 0 HZ3 LYS A 21 -2.243 3.234 1.760 1.00 62.04 H new ATOM 59 N ASP A 22 -1.466 6.331 -4.544 1.00 70.11 N ATOM 60 CA ASP A 22 -1.415 7.041 -5.812 1.00 12.40 C ATOM 61 C ASP A 22 -0.170 7.909 -5.900 1.00 22.10 C ATOM 62 O ASP A 22 0.188 8.611 -4.951 1.00 34.31 O ATOM 63 CB ASP A 22 -2.665 7.908 -5.985 1.00 55.02 C ATOM 64 CG ASP A 22 -2.795 8.966 -4.905 1.00 21.42 C ATOM 65 OD1 ASP A 22 -3.221 8.618 -3.781 1.00 75.20 O ATOM 66 OD2 ASP A 22 -2.466 10.142 -5.167 1.00 4.24 O ATOM 0 H ASP A 22 -2.109 6.736 -3.864 1.00 70.11 H new ATOM 0 HA ASP A 22 -1.378 6.301 -6.611 1.00 12.40 H new ATOM 0 HB2 ASP A 22 -2.635 8.392 -6.961 1.00 55.02 H new ATOM 0 HB3 ASP A 22 -3.549 7.271 -5.973 1.00 55.02 H new ATOM 71 N LEU A 23 0.507 7.822 -7.029 1.00 5.04 N ATOM 72 CA LEU A 23 1.651 8.672 -7.301 1.00 71.13 C ATOM 73 C LEU A 23 1.327 9.639 -8.435 1.00 5.14 C ATOM 74 O LEU A 23 1.856 10.748 -8.496 1.00 11.35 O ATOM 75 CB LEU A 23 2.871 7.822 -7.655 1.00 53.21 C ATOM 76 CG LEU A 23 4.189 8.587 -7.791 1.00 32.33 C ATOM 77 CD1 LEU A 23 4.525 9.304 -6.493 1.00 61.34 C ATOM 78 CD2 LEU A 23 5.310 7.637 -8.177 1.00 23.51 C ATOM 0 H LEU A 23 0.283 7.167 -7.778 1.00 5.04 H new ATOM 0 HA LEU A 23 1.881 9.249 -6.406 1.00 71.13 H new ATOM 0 HB2 LEU A 23 2.993 7.056 -6.889 1.00 53.21 H new ATOM 0 HB3 LEU A 23 2.672 7.305 -8.594 1.00 53.21 H new ATOM 0 HG LEU A 23 4.078 9.334 -8.577 1.00 32.33 H new ATOM 0 HD11 LEU A 23 5.465 9.843 -6.608 1.00 61.34 H new ATOM 0 HD12 LEU A 23 3.730 10.009 -6.251 1.00 61.34 H new ATOM 0 HD13 LEU A 23 4.621 8.575 -5.689 1.00 61.34 H new ATOM 0 HD21 LEU A 23 6.243 8.194 -8.271 1.00 23.51 H new ATOM 0 HD22 LEU A 23 5.420 6.872 -7.408 1.00 23.51 H new ATOM 0 HD23 LEU A 23 5.073 7.163 -9.129 1.00 23.51 H new ATOM 90 N LEU A 24 0.437 9.212 -9.322 1.00 60.32 N ATOM 91 CA LEU A 24 0.079 9.990 -10.499 1.00 72.02 C ATOM 92 C LEU A 24 -1.438 10.012 -10.656 1.00 40.21 C ATOM 93 O LEU A 24 -2.149 9.357 -9.892 1.00 54.41 O ATOM 94 CB LEU A 24 0.744 9.388 -11.741 1.00 24.34 C ATOM 95 CG LEU A 24 2.275 9.344 -11.697 1.00 64.23 C ATOM 96 CD1 LEU A 24 2.820 8.511 -12.845 1.00 24.11 C ATOM 97 CD2 LEU A 24 2.852 10.753 -11.743 1.00 1.14 C ATOM 0 H LEU A 24 -0.054 8.321 -9.246 1.00 60.32 H new ATOM 0 HA LEU A 24 0.432 11.015 -10.381 1.00 72.02 H new ATOM 0 HB2 LEU A 24 0.370 8.374 -11.880 1.00 24.34 H new ATOM 0 HB3 LEU A 24 0.437 9.963 -12.614 1.00 24.34 H new ATOM 0 HG LEU A 24 2.576 8.877 -10.759 1.00 64.23 H new ATOM 0 HD11 LEU A 24 3.909 8.492 -12.796 1.00 24.11 H new ATOM 0 HD12 LEU A 24 2.436 7.494 -12.771 1.00 24.11 H new ATOM 0 HD13 LEU A 24 2.507 8.949 -13.793 1.00 24.11 H new ATOM 0 HD21 LEU A 24 3.940 10.702 -11.711 1.00 1.14 H new ATOM 0 HD22 LEU A 24 2.539 11.244 -12.664 1.00 1.14 H new ATOM 0 HD23 LEU A 24 2.490 11.322 -10.887 1.00 1.14 H new ATOM 109 N LYS A 25 -1.936 10.758 -11.638 1.00 50.14 N ATOM 110 CA LYS A 25 -3.377 10.913 -11.822 1.00 71.33 C ATOM 111 C LYS A 25 -3.754 10.891 -13.299 1.00 55.43 C ATOM 112 O LYS A 25 -3.210 11.661 -14.091 1.00 43.22 O ATOM 113 CB LYS A 25 -3.851 12.231 -11.197 1.00 40.14 C ATOM 114 CG LYS A 25 -3.716 12.274 -9.686 1.00 14.35 C ATOM 115 CD LYS A 25 -4.746 11.384 -9.009 1.00 41.21 C ATOM 116 CE LYS A 25 -4.224 10.820 -7.699 1.00 2.32 C ATOM 117 NZ LYS A 25 -3.676 11.871 -6.801 1.00 4.14 N ATOM 0 H LYS A 25 -1.366 11.263 -12.317 1.00 50.14 H new ATOM 0 HA LYS A 25 -3.866 10.074 -11.327 1.00 71.33 H new ATOM 0 HB2 LYS A 25 -3.279 13.053 -11.627 1.00 40.14 H new ATOM 0 HB3 LYS A 25 -4.895 12.395 -11.464 1.00 40.14 H new ATOM 0 HG2 LYS A 25 -2.714 11.955 -9.400 1.00 14.35 H new ATOM 0 HG3 LYS A 25 -3.835 13.300 -9.338 1.00 14.35 H new ATOM 0 HD2 LYS A 25 -5.655 11.956 -8.823 1.00 41.21 H new ATOM 0 HD3 LYS A 25 -5.015 10.565 -9.677 1.00 41.21 H new ATOM 0 HE2 LYS A 25 -5.030 10.294 -7.187 1.00 2.32 H new ATOM 0 HE3 LYS A 25 -3.447 10.085 -7.908 1.00 2.32 H new ATOM 0 HZ1 LYS A 25 -3.380 11.440 -5.902 1.00 4.14 H new ATOM 0 HZ2 LYS A 25 -2.856 12.322 -7.255 1.00 4.14 H new ATOM 0 HZ3 LYS A 25 -4.408 12.587 -6.617 1.00 4.14 H new ATOM 131 N GLY A 26 -4.676 9.997 -13.655 1.00 53.03 N ATOM 132 CA GLY A 26 -5.227 9.969 -15.002 1.00 13.11 C ATOM 133 C GLY A 26 -4.188 9.691 -16.069 1.00 34.03 C ATOM 134 O GLY A 26 -4.147 10.362 -17.100 1.00 51.13 O ATOM 0 H GLY A 26 -5.054 9.286 -13.029 1.00 53.03 H new ATOM 0 HA2 GLY A 26 -6.004 9.206 -15.054 1.00 13.11 H new ATOM 0 HA3 GLY A 26 -5.706 10.926 -15.211 1.00 13.11 H new ATOM 138 N LEU A 27 -3.352 8.697 -15.830 1.00 65.05 N ATOM 139 CA LEU A 27 -2.299 8.358 -16.769 1.00 4.54 C ATOM 140 C LEU A 27 -2.570 6.992 -17.389 1.00 3.22 C ATOM 141 O LEU A 27 -3.109 6.102 -16.729 1.00 13.24 O ATOM 142 CB LEU A 27 -0.947 8.355 -16.055 1.00 24.12 C ATOM 143 CG LEU A 27 0.266 8.526 -16.964 1.00 32.33 C ATOM 144 CD1 LEU A 27 0.309 9.935 -17.531 1.00 63.43 C ATOM 145 CD2 LEU A 27 1.547 8.217 -16.212 1.00 54.33 C ATOM 0 H LEU A 27 -3.382 8.111 -14.995 1.00 65.05 H new ATOM 0 HA LEU A 27 -2.277 9.104 -17.563 1.00 4.54 H new ATOM 0 HB2 LEU A 27 -0.943 9.155 -15.315 1.00 24.12 H new ATOM 0 HB3 LEU A 27 -0.844 7.417 -15.510 1.00 24.12 H new ATOM 0 HG LEU A 27 0.177 7.822 -17.791 1.00 32.33 H new ATOM 0 HD11 LEU A 27 1.180 10.041 -18.177 1.00 63.43 H new ATOM 0 HD12 LEU A 27 -0.596 10.123 -18.109 1.00 63.43 H new ATOM 0 HD13 LEU A 27 0.374 10.654 -16.714 1.00 63.43 H new ATOM 0 HD21 LEU A 27 2.400 8.345 -16.878 1.00 54.33 H new ATOM 0 HD22 LEU A 27 1.644 8.895 -15.364 1.00 54.33 H new ATOM 0 HD23 LEU A 27 1.519 7.188 -15.852 1.00 54.33 H new ATOM 157 N ASP A 28 -2.219 6.824 -18.656 1.00 42.32 N ATOM 158 CA ASP A 28 -2.389 5.535 -19.316 1.00 51.23 C ATOM 159 C ASP A 28 -1.119 4.702 -19.189 1.00 31.14 C ATOM 160 O ASP A 28 -0.041 5.233 -18.910 1.00 43.11 O ATOM 161 CB ASP A 28 -2.760 5.713 -20.796 1.00 24.32 C ATOM 162 CG ASP A 28 -2.962 4.384 -21.506 1.00 73.21 C ATOM 163 OD1 ASP A 28 -4.006 3.739 -21.289 1.00 4.44 O ATOM 164 OD2 ASP A 28 -2.058 3.962 -22.259 1.00 14.33 O ATOM 0 H ASP A 28 -1.819 7.555 -19.244 1.00 42.32 H new ATOM 0 HA ASP A 28 -3.207 5.011 -18.822 1.00 51.23 H new ATOM 0 HB2 ASP A 28 -3.673 6.304 -20.871 1.00 24.32 H new ATOM 0 HB3 ASP A 28 -1.974 6.275 -21.300 1.00 24.32 H new ATOM 169 N GLN A 29 -1.260 3.397 -19.400 1.00 0.32 N ATOM 170 CA GLN A 29 -0.146 2.459 -19.326 1.00 12.32 C ATOM 171 C GLN A 29 1.000 2.874 -20.251 1.00 32.45 C ATOM 172 O GLN A 29 2.171 2.691 -19.919 1.00 60.10 O ATOM 173 CB GLN A 29 -0.640 1.063 -19.702 1.00 72.14 C ATOM 174 CG GLN A 29 0.427 -0.017 -19.654 1.00 33.21 C ATOM 175 CD GLN A 29 -0.077 -1.337 -20.198 1.00 62.01 C ATOM 176 OE1 GLN A 29 -1.267 -1.644 -20.104 1.00 55.02 O ATOM 177 NE2 GLN A 29 0.816 -2.123 -20.773 1.00 64.30 N ATOM 0 H GLN A 29 -2.153 2.959 -19.628 1.00 0.32 H new ATOM 0 HA GLN A 29 0.237 2.458 -18.306 1.00 12.32 H new ATOM 0 HB2 GLN A 29 -1.451 0.785 -19.029 1.00 72.14 H new ATOM 0 HB3 GLN A 29 -1.058 1.098 -20.708 1.00 72.14 H new ATOM 0 HG2 GLN A 29 1.295 0.305 -20.230 1.00 33.21 H new ATOM 0 HG3 GLN A 29 0.760 -0.152 -18.625 1.00 33.21 H new ATOM 0 HE21 GLN A 29 1.792 -1.830 -20.830 1.00 64.30 H new ATOM 0 HE22 GLN A 29 0.530 -3.022 -21.160 1.00 64.30 H new ATOM 186 N GLU A 30 0.663 3.439 -21.405 1.00 2.13 N ATOM 187 CA GLU A 30 1.674 3.854 -22.373 1.00 62.22 C ATOM 188 C GLU A 30 2.497 5.019 -21.840 1.00 61.05 C ATOM 189 O GLU A 30 3.701 5.105 -22.078 1.00 64.41 O ATOM 190 CB GLU A 30 1.023 4.240 -23.702 1.00 10.33 C ATOM 191 CG GLU A 30 0.239 3.108 -24.339 1.00 21.31 C ATOM 192 CD GLU A 30 1.045 1.835 -24.436 1.00 63.10 C ATOM 193 OE1 GLU A 30 1.856 1.712 -25.373 1.00 33.34 O ATOM 194 OE2 GLU A 30 0.874 0.953 -23.567 1.00 1.14 O ATOM 0 H GLU A 30 -0.299 3.620 -21.693 1.00 2.13 H new ATOM 0 HA GLU A 30 2.341 3.008 -22.539 1.00 62.22 H new ATOM 0 HB2 GLU A 30 0.357 5.087 -23.539 1.00 10.33 H new ATOM 0 HB3 GLU A 30 1.797 4.571 -24.395 1.00 10.33 H new ATOM 0 HG2 GLU A 30 -0.663 2.921 -23.756 1.00 21.31 H new ATOM 0 HG3 GLU A 30 -0.083 3.408 -25.336 1.00 21.31 H new ATOM 201 N GLN A 31 1.846 5.900 -21.098 1.00 63.15 N ATOM 202 CA GLN A 31 2.505 7.080 -20.557 1.00 22.13 C ATOM 203 C GLN A 31 3.279 6.726 -19.292 1.00 72.44 C ATOM 204 O GLN A 31 4.283 7.358 -18.964 1.00 75.33 O ATOM 205 CB GLN A 31 1.470 8.161 -20.255 1.00 72.14 C ATOM 206 CG GLN A 31 0.677 8.600 -21.474 1.00 13.11 C ATOM 207 CD GLN A 31 -0.498 9.488 -21.118 1.00 43.44 C ATOM 208 OE1 GLN A 31 -1.604 9.002 -20.878 1.00 32.20 O ATOM 209 NE2 GLN A 31 -0.269 10.791 -21.070 1.00 50.14 N ATOM 0 H GLN A 31 0.858 5.821 -20.855 1.00 63.15 H new ATOM 0 HA GLN A 31 3.209 7.458 -21.298 1.00 22.13 H new ATOM 0 HB2 GLN A 31 0.780 7.790 -19.497 1.00 72.14 H new ATOM 0 HB3 GLN A 31 1.976 9.028 -19.829 1.00 72.14 H new ATOM 0 HG2 GLN A 31 1.336 9.134 -22.158 1.00 13.11 H new ATOM 0 HG3 GLN A 31 0.314 7.719 -22.003 1.00 13.11 H new ATOM 0 HE21 GLN A 31 0.662 11.153 -21.276 1.00 50.14 H new ATOM 0 HE22 GLN A 31 -1.024 11.433 -20.827 1.00 50.14 H new ATOM 218 N ALA A 32 2.808 5.694 -18.596 1.00 25.24 N ATOM 219 CA ALA A 32 3.450 5.227 -17.372 1.00 12.32 C ATOM 220 C ALA A 32 4.851 4.697 -17.655 1.00 75.41 C ATOM 221 O ALA A 32 5.699 4.657 -16.764 1.00 22.04 O ATOM 222 CB ALA A 32 2.602 4.155 -16.703 1.00 50.14 C ATOM 0 H ALA A 32 1.979 5.163 -18.862 1.00 25.24 H new ATOM 0 HA ALA A 32 3.541 6.076 -16.694 1.00 12.32 H new ATOM 0 HB1 ALA A 32 3.095 3.817 -15.791 1.00 50.14 H new ATOM 0 HB2 ALA A 32 1.624 4.567 -16.455 1.00 50.14 H new ATOM 0 HB3 ALA A 32 2.479 3.312 -17.383 1.00 50.14 H new ATOM 228 N ASN A 33 5.085 4.299 -18.905 1.00 30.15 N ATOM 229 CA ASN A 33 6.396 3.817 -19.341 1.00 34.52 C ATOM 230 C ASN A 33 7.484 4.840 -19.031 1.00 42.25 C ATOM 231 O ASN A 33 8.571 4.490 -18.568 1.00 34.22 O ATOM 232 CB ASN A 33 6.375 3.521 -20.845 1.00 33.41 C ATOM 233 CG ASN A 33 7.745 3.159 -21.401 1.00 2.04 C ATOM 234 OD1 ASN A 33 8.159 1.999 -21.355 1.00 61.15 O ATOM 235 ND2 ASN A 33 8.448 4.140 -21.953 1.00 43.32 N ATOM 0 H ASN A 33 4.377 4.301 -19.639 1.00 30.15 H new ATOM 0 HA ASN A 33 6.619 2.900 -18.796 1.00 34.52 H new ATOM 0 HB2 ASN A 33 5.683 2.702 -21.038 1.00 33.41 H new ATOM 0 HB3 ASN A 33 5.993 4.393 -21.376 1.00 33.41 H new ATOM 0 HD21 ASN A 33 9.364 3.946 -22.358 1.00 43.32 H new ATOM 0 HD22 ASN A 33 8.072 5.088 -21.972 1.00 43.32 H new ATOM 242 N GLU A 34 7.161 6.109 -19.257 1.00 64.32 N ATOM 243 CA GLU A 34 8.109 7.196 -19.067 1.00 14.34 C ATOM 244 C GLU A 34 8.490 7.333 -17.596 1.00 32.00 C ATOM 245 O GLU A 34 9.603 7.736 -17.265 1.00 42.44 O ATOM 246 CB GLU A 34 7.499 8.509 -19.563 1.00 31.31 C ATOM 247 CG GLU A 34 6.908 8.420 -20.961 1.00 22.20 C ATOM 248 CD GLU A 34 7.914 7.967 -21.994 1.00 51.21 C ATOM 249 OE1 GLU A 34 8.770 8.785 -22.394 1.00 53.55 O ATOM 250 OE2 GLU A 34 7.841 6.800 -22.428 1.00 35.45 O ATOM 0 H GLU A 34 6.240 6.410 -19.575 1.00 64.32 H new ATOM 0 HA GLU A 34 9.009 6.971 -19.640 1.00 14.34 H new ATOM 0 HB2 GLU A 34 6.720 8.822 -18.868 1.00 31.31 H new ATOM 0 HB3 GLU A 34 8.266 9.283 -19.551 1.00 31.31 H new ATOM 0 HG2 GLU A 34 6.067 7.727 -20.951 1.00 22.20 H new ATOM 0 HG3 GLU A 34 6.514 9.395 -21.247 1.00 22.20 H new ATOM 257 N VAL A 35 7.558 6.990 -16.720 1.00 23.44 N ATOM 258 CA VAL A 35 7.762 7.148 -15.290 1.00 43.14 C ATOM 259 C VAL A 35 8.399 5.902 -14.678 1.00 23.05 C ATOM 260 O VAL A 35 9.347 6.001 -13.900 1.00 15.50 O ATOM 261 CB VAL A 35 6.434 7.452 -14.570 1.00 13.31 C ATOM 262 CG1 VAL A 35 6.670 7.758 -13.099 1.00 70.54 C ATOM 263 CG2 VAL A 35 5.708 8.602 -15.250 1.00 30.13 C ATOM 0 H VAL A 35 6.651 6.600 -16.976 1.00 23.44 H new ATOM 0 HA VAL A 35 8.440 7.991 -15.155 1.00 43.14 H new ATOM 0 HB VAL A 35 5.804 6.565 -14.632 1.00 13.31 H new ATOM 0 HG11 VAL A 35 5.717 7.969 -12.614 1.00 70.54 H new ATOM 0 HG12 VAL A 35 7.139 6.899 -12.619 1.00 70.54 H new ATOM 0 HG13 VAL A 35 7.323 8.626 -13.008 1.00 70.54 H new ATOM 0 HG21 VAL A 35 4.773 8.802 -14.727 1.00 30.13 H new ATOM 0 HG22 VAL A 35 6.335 9.493 -15.225 1.00 30.13 H new ATOM 0 HG23 VAL A 35 5.495 8.336 -16.286 1.00 30.13 H new ATOM 273 N ILE A 36 7.891 4.727 -15.045 1.00 40.12 N ATOM 274 CA ILE A 36 8.356 3.473 -14.452 1.00 51.04 C ATOM 275 C ILE A 36 9.842 3.243 -14.736 1.00 5.12 C ATOM 276 O ILE A 36 10.562 2.670 -13.914 1.00 2.14 O ATOM 277 CB ILE A 36 7.523 2.257 -14.942 1.00 14.15 C ATOM 278 CG1 ILE A 36 7.920 0.988 -14.178 1.00 14.25 C ATOM 279 CG2 ILE A 36 7.682 2.051 -16.443 1.00 14.13 C ATOM 280 CD1 ILE A 36 7.078 -0.224 -14.522 1.00 73.41 C ATOM 0 H ILE A 36 7.160 4.616 -15.748 1.00 40.12 H new ATOM 0 HA ILE A 36 8.217 3.563 -13.375 1.00 51.04 H new ATOM 0 HB ILE A 36 6.472 2.467 -14.742 1.00 14.15 H new ATOM 0 HG12 ILE A 36 8.966 0.763 -14.386 1.00 14.25 H new ATOM 0 HG13 ILE A 36 7.842 1.181 -13.108 1.00 14.25 H new ATOM 0 HG21 ILE A 36 7.088 1.193 -16.757 1.00 14.13 H new ATOM 0 HG22 ILE A 36 7.341 2.942 -16.971 1.00 14.13 H new ATOM 0 HG23 ILE A 36 8.731 1.871 -16.676 1.00 14.13 H new ATOM 0 HD11 ILE A 36 7.420 -1.081 -13.941 1.00 73.41 H new ATOM 0 HD12 ILE A 36 6.033 -0.020 -14.287 1.00 73.41 H new ATOM 0 HD13 ILE A 36 7.175 -0.444 -15.585 1.00 73.41 H new ATOM 292 N ALA A 37 10.300 3.729 -15.887 1.00 52.51 N ATOM 293 CA ALA A 37 11.699 3.607 -16.268 1.00 3.11 C ATOM 294 C ALA A 37 12.593 4.378 -15.305 1.00 43.11 C ATOM 295 O ALA A 37 13.722 3.976 -15.040 1.00 65.14 O ATOM 296 CB ALA A 37 11.905 4.100 -17.692 1.00 10.24 C ATOM 0 H ALA A 37 9.718 4.212 -16.572 1.00 52.51 H new ATOM 0 HA ALA A 37 11.975 2.554 -16.219 1.00 3.11 H new ATOM 0 HB1 ALA A 37 12.956 4.002 -17.962 1.00 10.24 H new ATOM 0 HB2 ALA A 37 11.298 3.505 -18.374 1.00 10.24 H new ATOM 0 HB3 ALA A 37 11.608 5.147 -17.761 1.00 10.24 H new ATOM 302 N VAL A 38 12.068 5.475 -14.769 1.00 20.13 N ATOM 303 CA VAL A 38 12.812 6.310 -13.835 1.00 44.23 C ATOM 304 C VAL A 38 12.998 5.591 -12.503 1.00 63.13 C ATOM 305 O VAL A 38 14.101 5.550 -11.953 1.00 74.02 O ATOM 306 CB VAL A 38 12.096 7.659 -13.594 1.00 32.05 C ATOM 307 CG1 VAL A 38 12.863 8.514 -12.600 1.00 13.23 C ATOM 308 CG2 VAL A 38 11.908 8.404 -14.904 1.00 41.55 C ATOM 0 H VAL A 38 11.124 5.807 -14.968 1.00 20.13 H new ATOM 0 HA VAL A 38 13.787 6.507 -14.280 1.00 44.23 H new ATOM 0 HB VAL A 38 11.114 7.449 -13.170 1.00 32.05 H new ATOM 0 HG11 VAL A 38 12.337 9.457 -12.449 1.00 13.23 H new ATOM 0 HG12 VAL A 38 12.941 7.986 -11.650 1.00 13.23 H new ATOM 0 HG13 VAL A 38 13.862 8.714 -12.987 1.00 13.23 H new ATOM 0 HG21 VAL A 38 11.402 9.351 -14.715 1.00 41.55 H new ATOM 0 HG22 VAL A 38 12.881 8.596 -15.356 1.00 41.55 H new ATOM 0 HG23 VAL A 38 11.305 7.800 -15.583 1.00 41.55 H new ATOM 318 N LEU A 39 11.919 5.004 -12.002 1.00 41.13 N ATOM 319 CA LEU A 39 11.952 4.305 -10.722 1.00 61.14 C ATOM 320 C LEU A 39 12.865 3.084 -10.790 1.00 22.43 C ATOM 321 O LEU A 39 13.782 2.940 -9.979 1.00 72.50 O ATOM 322 CB LEU A 39 10.543 3.881 -10.285 1.00 75.53 C ATOM 323 CG LEU A 39 9.655 4.988 -9.693 1.00 71.32 C ATOM 324 CD1 LEU A 39 10.361 5.686 -8.543 1.00 43.22 C ATOM 325 CD2 LEU A 39 9.239 5.995 -10.754 1.00 2.12 C ATOM 0 H LEU A 39 11.009 4.997 -12.462 1.00 41.13 H new ATOM 0 HA LEU A 39 12.350 4.999 -9.981 1.00 61.14 H new ATOM 0 HB2 LEU A 39 10.030 3.455 -11.147 1.00 75.53 H new ATOM 0 HB3 LEU A 39 10.638 3.086 -9.546 1.00 75.53 H new ATOM 0 HG LEU A 39 8.751 4.515 -9.310 1.00 71.32 H new ATOM 0 HD11 LEU A 39 9.715 6.465 -8.139 1.00 43.22 H new ATOM 0 HD12 LEU A 39 10.587 4.961 -7.761 1.00 43.22 H new ATOM 0 HD13 LEU A 39 11.288 6.133 -8.903 1.00 43.22 H new ATOM 0 HD21 LEU A 39 8.612 6.763 -10.301 1.00 2.12 H new ATOM 0 HD22 LEU A 39 10.127 6.458 -11.184 1.00 2.12 H new ATOM 0 HD23 LEU A 39 8.679 5.486 -11.539 1.00 2.12 H new ATOM 337 N GLN A 40 12.629 2.225 -11.775 1.00 20.13 N ATOM 338 CA GLN A 40 13.408 0.998 -11.923 1.00 21.42 C ATOM 339 C GLN A 40 14.879 1.306 -12.180 1.00 31.24 C ATOM 340 O GLN A 40 15.755 0.523 -11.820 1.00 33.34 O ATOM 341 CB GLN A 40 12.840 0.129 -13.046 1.00 11.00 C ATOM 342 CG GLN A 40 11.454 -0.414 -12.741 1.00 73.21 C ATOM 343 CD GLN A 40 10.918 -1.315 -13.835 1.00 62.13 C ATOM 344 OE1 GLN A 40 11.238 -1.149 -15.012 1.00 23.22 O ATOM 345 NE2 GLN A 40 10.098 -2.280 -13.454 1.00 52.41 N ATOM 0 H GLN A 40 11.906 2.354 -12.483 1.00 20.13 H new ATOM 0 HA GLN A 40 13.338 0.445 -10.987 1.00 21.42 H new ATOM 0 HB2 GLN A 40 12.800 0.715 -13.964 1.00 11.00 H new ATOM 0 HB3 GLN A 40 13.518 -0.705 -13.229 1.00 11.00 H new ATOM 0 HG2 GLN A 40 11.485 -0.969 -11.803 1.00 73.21 H new ATOM 0 HG3 GLN A 40 10.767 0.420 -12.595 1.00 73.21 H new ATOM 0 HE21 GLN A 40 9.857 -2.385 -12.468 1.00 52.41 H new ATOM 0 HE22 GLN A 40 9.707 -2.919 -14.146 1.00 52.41 H new ATOM 354 N MET A 41 15.147 2.451 -12.792 1.00 70.45 N ATOM 355 CA MET A 41 16.516 2.883 -13.044 1.00 24.40 C ATOM 356 C MET A 41 17.211 3.266 -11.741 1.00 31.12 C ATOM 357 O MET A 41 18.403 3.014 -11.561 1.00 61.02 O ATOM 358 CB MET A 41 16.522 4.075 -14.000 1.00 61.45 C ATOM 359 CG MET A 41 17.908 4.593 -14.347 1.00 30.33 C ATOM 360 SD MET A 41 17.852 6.049 -15.411 1.00 33.13 S ATOM 361 CE MET A 41 17.005 5.389 -16.845 1.00 15.34 C ATOM 0 H MET A 41 14.433 3.099 -13.124 1.00 70.45 H new ATOM 0 HA MET A 41 17.058 2.053 -13.497 1.00 24.40 H new ATOM 0 HB2 MET A 41 16.013 3.790 -14.921 1.00 61.45 H new ATOM 0 HB3 MET A 41 15.945 4.886 -13.555 1.00 61.45 H new ATOM 0 HG2 MET A 41 18.442 4.838 -13.429 1.00 30.33 H new ATOM 0 HG3 MET A 41 18.474 3.805 -14.844 1.00 30.33 H new ATOM 0 HE1 MET A 41 17.185 6.036 -17.704 1.00 15.34 H new ATOM 0 HE2 MET A 41 17.379 4.388 -17.060 1.00 15.34 H new ATOM 0 HE3 MET A 41 15.935 5.341 -16.645 1.00 15.34 H new ATOM 371 N HIS A 42 16.455 3.857 -10.825 1.00 64.11 N ATOM 372 CA HIS A 42 17.016 4.360 -9.576 1.00 53.34 C ATOM 373 C HIS A 42 17.034 3.269 -8.501 1.00 0.31 C ATOM 374 O HIS A 42 17.180 3.562 -7.311 1.00 21.01 O ATOM 375 CB HIS A 42 16.213 5.571 -9.088 1.00 2.12 C ATOM 376 CG HIS A 42 17.016 6.535 -8.266 1.00 3.35 C ATOM 377 ND1 HIS A 42 17.523 6.225 -7.022 1.00 72.21 N ATOM 378 CD2 HIS A 42 17.421 7.802 -8.526 1.00 11.42 C ATOM 379 CE1 HIS A 42 18.197 7.257 -6.551 1.00 61.53 C ATOM 380 NE2 HIS A 42 18.149 8.226 -7.443 1.00 75.41 N ATOM 0 H HIS A 42 15.450 4.000 -10.923 1.00 64.11 H new ATOM 0 HA HIS A 42 18.045 4.666 -9.764 1.00 53.34 H new ATOM 0 HB2 HIS A 42 15.804 6.096 -9.951 1.00 2.12 H new ATOM 0 HB3 HIS A 42 15.367 5.221 -8.497 1.00 2.12 H new ATOM 0 HD1 HIS A 42 17.397 5.335 -6.540 1.00 72.21 H new ATOM 0 HD2 HIS A 42 17.210 8.372 -9.419 1.00 11.42 H new ATOM 0 HE1 HIS A 42 18.702 7.300 -5.597 1.00 61.53 H new ATOM 389 N ASN A 43 16.873 2.018 -8.929 1.00 64.15 N ATOM 390 CA ASN A 43 16.991 0.857 -8.038 1.00 73.10 C ATOM 391 C ASN A 43 15.895 0.818 -6.981 1.00 1.02 C ATOM 392 O ASN A 43 16.073 0.222 -5.918 1.00 31.31 O ATOM 393 CB ASN A 43 18.364 0.825 -7.354 1.00 64.51 C ATOM 394 CG ASN A 43 19.456 0.304 -8.262 1.00 34.41 C ATOM 395 OD1 ASN A 43 20.103 1.065 -8.979 1.00 45.22 O ATOM 396 ND2 ASN A 43 19.668 -1.004 -8.238 1.00 35.12 N ATOM 0 H ASN A 43 16.658 1.778 -9.897 1.00 64.15 H new ATOM 0 HA ASN A 43 16.879 -0.025 -8.669 1.00 73.10 H new ATOM 0 HB2 ASN A 43 18.623 1.830 -7.021 1.00 64.51 H new ATOM 0 HB3 ASN A 43 18.307 0.199 -6.464 1.00 64.51 H new ATOM 0 HD21 ASN A 43 20.391 -1.414 -8.829 1.00 35.12 H new ATOM 0 HD22 ASN A 43 19.108 -1.600 -7.628 1.00 35.12 H new ATOM 403 N ILE A 44 14.754 1.417 -7.271 1.00 51.42 N ATOM 404 CA ILE A 44 13.629 1.356 -6.355 1.00 24.35 C ATOM 405 C ILE A 44 12.490 0.554 -6.980 1.00 25.42 C ATOM 406 O ILE A 44 12.105 0.800 -8.123 1.00 33.53 O ATOM 407 CB ILE A 44 13.150 2.769 -5.927 1.00 41.34 C ATOM 408 CG1 ILE A 44 11.868 2.677 -5.093 1.00 12.40 C ATOM 409 CG2 ILE A 44 12.942 3.666 -7.136 1.00 70.10 C ATOM 410 CD1 ILE A 44 11.365 4.015 -4.592 1.00 45.23 C ATOM 0 H ILE A 44 14.582 1.947 -8.126 1.00 51.42 H new ATOM 0 HA ILE A 44 13.961 0.850 -5.449 1.00 24.35 H new ATOM 0 HB ILE A 44 13.930 3.215 -5.309 1.00 41.34 H new ATOM 0 HG12 ILE A 44 11.088 2.208 -5.694 1.00 12.40 H new ATOM 0 HG13 ILE A 44 12.048 2.024 -4.239 1.00 12.40 H new ATOM 0 HG21 ILE A 44 12.607 4.649 -6.806 1.00 70.10 H new ATOM 0 HG22 ILE A 44 13.881 3.767 -7.680 1.00 70.10 H new ATOM 0 HG23 ILE A 44 12.189 3.226 -7.790 1.00 70.10 H new ATOM 0 HD11 ILE A 44 10.455 3.867 -4.010 1.00 45.23 H new ATOM 0 HD12 ILE A 44 12.126 4.478 -3.964 1.00 45.23 H new ATOM 0 HD13 ILE A 44 11.151 4.664 -5.441 1.00 45.23 H new ATOM 422 N GLU A 45 11.994 -0.432 -6.234 1.00 32.10 N ATOM 423 CA GLU A 45 10.930 -1.308 -6.710 1.00 43.21 C ATOM 424 C GLU A 45 9.700 -0.499 -7.106 1.00 53.03 C ATOM 425 O GLU A 45 9.139 0.238 -6.295 1.00 44.21 O ATOM 426 CB GLU A 45 10.567 -2.339 -5.634 1.00 3.43 C ATOM 427 CG GLU A 45 9.513 -3.345 -6.075 1.00 44.34 C ATOM 428 CD GLU A 45 9.955 -4.168 -7.267 1.00 24.34 C ATOM 429 OE1 GLU A 45 9.784 -3.705 -8.411 1.00 43.33 O ATOM 430 OE2 GLU A 45 10.482 -5.282 -7.068 1.00 51.31 O ATOM 0 H GLU A 45 12.317 -0.643 -5.290 1.00 32.10 H new ATOM 0 HA GLU A 45 11.291 -1.836 -7.593 1.00 43.21 H new ATOM 0 HB2 GLU A 45 11.469 -2.877 -5.341 1.00 3.43 H new ATOM 0 HB3 GLU A 45 10.207 -1.815 -4.749 1.00 3.43 H new ATOM 0 HG2 GLU A 45 9.282 -4.011 -5.244 1.00 44.34 H new ATOM 0 HG3 GLU A 45 8.593 -2.816 -6.325 1.00 44.34 H new ATOM 437 N ALA A 46 9.296 -0.645 -8.357 1.00 60.24 N ATOM 438 CA ALA A 46 8.168 0.098 -8.890 1.00 31.00 C ATOM 439 C ALA A 46 7.046 -0.846 -9.288 1.00 62.35 C ATOM 440 O ALA A 46 7.189 -1.648 -10.213 1.00 63.34 O ATOM 441 CB ALA A 46 8.609 0.931 -10.085 1.00 20.43 C ATOM 0 H ALA A 46 9.737 -1.276 -9.026 1.00 60.24 H new ATOM 0 HA ALA A 46 7.794 0.766 -8.114 1.00 31.00 H new ATOM 0 HB1 ALA A 46 7.756 1.484 -10.477 1.00 20.43 H new ATOM 0 HB2 ALA A 46 9.384 1.632 -9.774 1.00 20.43 H new ATOM 0 HB3 ALA A 46 9.003 0.274 -10.861 1.00 20.43 H new ATOM 447 N ASN A 47 5.933 -0.755 -8.589 1.00 14.14 N ATOM 448 CA ASN A 47 4.783 -1.586 -8.889 1.00 3.01 C ATOM 449 C ASN A 47 3.715 -0.745 -9.568 1.00 71.14 C ATOM 450 O ASN A 47 3.683 0.475 -9.405 1.00 33.31 O ATOM 451 CB ASN A 47 4.224 -2.222 -7.610 1.00 42.11 C ATOM 452 CG ASN A 47 5.226 -3.117 -6.894 1.00 54.03 C ATOM 453 OD1 ASN A 47 5.180 -3.260 -5.672 1.00 71.31 O ATOM 454 ND2 ASN A 47 6.137 -3.723 -7.642 1.00 3.32 N ATOM 0 H ASN A 47 5.799 -0.113 -7.808 1.00 14.14 H new ATOM 0 HA ASN A 47 5.092 -2.389 -9.559 1.00 3.01 H new ATOM 0 HB2 ASN A 47 3.902 -1.433 -6.931 1.00 42.11 H new ATOM 0 HB3 ASN A 47 3.339 -2.807 -7.860 1.00 42.11 H new ATOM 0 HD21 ASN A 47 6.831 -4.332 -7.208 1.00 3.32 H new ATOM 0 HD22 ASN A 47 6.144 -3.581 -8.652 1.00 3.32 H new ATOM 461 N LYS A 48 2.855 -1.384 -10.340 1.00 2.34 N ATOM 462 CA LYS A 48 1.803 -0.669 -11.041 1.00 52.52 C ATOM 463 C LYS A 48 0.461 -0.901 -10.367 1.00 62.33 C ATOM 464 O LYS A 48 0.121 -2.030 -10.022 1.00 31.33 O ATOM 465 CB LYS A 48 1.735 -1.102 -12.511 1.00 3.32 C ATOM 466 CG LYS A 48 2.950 -0.687 -13.330 1.00 51.31 C ATOM 467 CD LYS A 48 2.772 -0.997 -14.811 1.00 22.24 C ATOM 468 CE LYS A 48 3.260 -2.393 -15.185 1.00 4.54 C ATOM 469 NZ LYS A 48 2.538 -3.474 -14.465 1.00 25.22 N ATOM 0 H LYS A 48 2.863 -2.392 -10.497 1.00 2.34 H new ATOM 0 HA LYS A 48 2.036 0.395 -11.004 1.00 52.52 H new ATOM 0 HB2 LYS A 48 1.631 -2.186 -12.556 1.00 3.32 H new ATOM 0 HB3 LYS A 48 0.840 -0.676 -12.965 1.00 3.32 H new ATOM 0 HG2 LYS A 48 3.126 0.381 -13.202 1.00 51.31 H new ATOM 0 HG3 LYS A 48 3.834 -1.203 -12.955 1.00 51.31 H new ATOM 0 HD2 LYS A 48 1.718 -0.903 -15.073 1.00 22.24 H new ATOM 0 HD3 LYS A 48 3.314 -0.257 -15.400 1.00 22.24 H new ATOM 0 HE2 LYS A 48 3.141 -2.537 -16.259 1.00 4.54 H new ATOM 0 HE3 LYS A 48 4.326 -2.469 -14.969 1.00 4.54 H new ATOM 0 HZ1 LYS A 48 2.639 -4.367 -14.988 1.00 25.22 H new ATOM 0 HZ2 LYS A 48 2.939 -3.584 -13.512 1.00 25.22 H new ATOM 0 HZ3 LYS A 48 1.530 -3.229 -14.391 1.00 25.22 H new ATOM 483 N ILE A 49 -0.288 0.168 -10.157 1.00 55.40 N ATOM 484 CA ILE A 49 -1.637 0.045 -9.631 1.00 21.43 C ATOM 485 C ILE A 49 -2.649 -0.011 -10.763 1.00 30.21 C ATOM 486 O ILE A 49 -2.941 1.000 -11.402 1.00 43.24 O ATOM 487 CB ILE A 49 -2.011 1.185 -8.652 1.00 55.00 C ATOM 488 CG1 ILE A 49 -1.238 2.475 -8.961 1.00 24.11 C ATOM 489 CG2 ILE A 49 -1.764 0.743 -7.219 1.00 42.22 C ATOM 490 CD1 ILE A 49 -1.658 3.647 -8.096 1.00 2.21 C ATOM 0 H ILE A 49 0.012 1.125 -10.341 1.00 55.40 H new ATOM 0 HA ILE A 49 -1.662 -0.887 -9.067 1.00 21.43 H new ATOM 0 HB ILE A 49 -3.071 1.403 -8.780 1.00 55.00 H new ATOM 0 HG12 ILE A 49 -0.172 2.294 -8.823 1.00 24.11 H new ATOM 0 HG13 ILE A 49 -1.384 2.735 -10.009 1.00 24.11 H new ATOM 0 HG21 ILE A 49 -2.030 1.551 -6.538 1.00 42.22 H new ATOM 0 HG22 ILE A 49 -2.374 -0.133 -6.998 1.00 42.22 H new ATOM 0 HG23 ILE A 49 -0.711 0.493 -7.092 1.00 42.22 H new ATOM 0 HD11 ILE A 49 -1.073 4.526 -8.366 1.00 2.21 H new ATOM 0 HD12 ILE A 49 -2.717 3.854 -8.252 1.00 2.21 H new ATOM 0 HD13 ILE A 49 -1.486 3.405 -7.047 1.00 2.21 H new ATOM 502 N ASP A 50 -3.148 -1.212 -11.035 1.00 1.42 N ATOM 503 CA ASP A 50 -4.182 -1.396 -12.044 1.00 31.23 C ATOM 504 C ASP A 50 -5.514 -0.888 -11.513 1.00 34.22 C ATOM 505 O ASP A 50 -6.165 -1.546 -10.697 1.00 3.11 O ATOM 506 CB ASP A 50 -4.311 -2.872 -12.445 1.00 50.32 C ATOM 507 CG ASP A 50 -3.115 -3.385 -13.222 1.00 21.32 C ATOM 508 OD1 ASP A 50 -2.130 -3.817 -12.589 1.00 31.42 O ATOM 509 OD2 ASP A 50 -3.158 -3.372 -14.469 1.00 13.32 O ATOM 0 H ASP A 50 -2.853 -2.071 -10.571 1.00 1.42 H new ATOM 0 HA ASP A 50 -3.899 -0.827 -12.930 1.00 31.23 H new ATOM 0 HB2 ASP A 50 -4.439 -3.476 -11.547 1.00 50.32 H new ATOM 0 HB3 ASP A 50 -5.210 -3.001 -13.047 1.00 50.32 H new ATOM 514 N SER A 51 -5.893 0.297 -11.956 1.00 65.34 N ATOM 515 CA SER A 51 -7.147 0.912 -11.557 1.00 53.51 C ATOM 516 C SER A 51 -7.625 1.852 -12.660 1.00 5.00 C ATOM 517 O SER A 51 -6.953 2.830 -12.979 1.00 3.33 O ATOM 518 CB SER A 51 -6.970 1.681 -10.240 1.00 64.50 C ATOM 519 OG SER A 51 -6.489 0.831 -9.209 1.00 53.33 O ATOM 0 H SER A 51 -5.341 0.860 -12.602 1.00 65.34 H new ATOM 0 HA SER A 51 -7.894 0.134 -11.400 1.00 53.51 H new ATOM 0 HB2 SER A 51 -6.274 2.506 -10.389 1.00 64.50 H new ATOM 0 HB3 SER A 51 -7.923 2.118 -9.940 1.00 64.50 H new ATOM 0 HG SER A 51 -6.384 1.347 -8.382 1.00 53.33 H new ATOM 525 N GLY A 52 -8.778 1.546 -13.239 1.00 22.12 N ATOM 526 CA GLY A 52 -9.286 2.318 -14.361 1.00 53.41 C ATOM 527 C GLY A 52 -9.670 3.736 -13.982 1.00 12.40 C ATOM 528 O GLY A 52 -9.580 4.651 -14.802 1.00 2.13 O ATOM 0 H GLY A 52 -9.376 0.772 -12.951 1.00 22.12 H new ATOM 0 HA2 GLY A 52 -8.529 2.350 -15.145 1.00 53.41 H new ATOM 0 HA3 GLY A 52 -10.156 1.812 -14.779 1.00 53.41 H new ATOM 532 N LYS A 53 -10.102 3.923 -12.742 1.00 45.23 N ATOM 533 CA LYS A 53 -10.525 5.236 -12.269 1.00 23.33 C ATOM 534 C LYS A 53 -9.318 6.113 -11.951 1.00 53.45 C ATOM 535 O LYS A 53 -9.331 7.321 -12.181 1.00 2.14 O ATOM 536 CB LYS A 53 -11.410 5.083 -11.025 1.00 24.14 C ATOM 537 CG LYS A 53 -11.999 6.386 -10.486 1.00 63.44 C ATOM 538 CD LYS A 53 -13.000 7.005 -11.452 1.00 43.02 C ATOM 539 CE LYS A 53 -12.325 7.907 -12.477 1.00 74.35 C ATOM 540 NZ LYS A 53 -11.874 9.197 -11.885 1.00 42.41 N ATOM 0 H LYS A 53 -10.169 3.182 -12.044 1.00 45.23 H new ATOM 0 HA LYS A 53 -11.099 5.720 -13.059 1.00 23.33 H new ATOM 0 HB2 LYS A 53 -12.228 4.403 -11.261 1.00 24.14 H new ATOM 0 HB3 LYS A 53 -10.823 4.614 -10.236 1.00 24.14 H new ATOM 0 HG2 LYS A 53 -12.488 6.194 -9.531 1.00 63.44 H new ATOM 0 HG3 LYS A 53 -11.194 7.096 -10.295 1.00 63.44 H new ATOM 0 HD2 LYS A 53 -13.542 6.213 -11.968 1.00 43.02 H new ATOM 0 HD3 LYS A 53 -13.736 7.582 -10.891 1.00 43.02 H new ATOM 0 HE2 LYS A 53 -11.468 7.388 -12.906 1.00 74.35 H new ATOM 0 HE3 LYS A 53 -13.018 8.107 -13.294 1.00 74.35 H new ATOM 0 HZ1 LYS A 53 -11.593 9.849 -12.645 1.00 42.41 H new ATOM 0 HZ2 LYS A 53 -12.651 9.618 -11.338 1.00 42.41 H new ATOM 0 HZ3 LYS A 53 -11.062 9.026 -11.258 1.00 42.41 H new ATOM 554 N LEU A 54 -8.273 5.498 -11.431 1.00 40.21 N ATOM 555 CA LEU A 54 -7.092 6.235 -11.012 1.00 34.12 C ATOM 556 C LEU A 54 -6.139 6.424 -12.191 1.00 14.32 C ATOM 557 O LEU A 54 -5.561 7.499 -12.377 1.00 22.30 O ATOM 558 CB LEU A 54 -6.401 5.481 -9.865 1.00 70.34 C ATOM 559 CG LEU A 54 -5.466 6.314 -8.981 1.00 21.43 C ATOM 560 CD1 LEU A 54 -5.223 5.604 -7.659 1.00 22.20 C ATOM 561 CD2 LEU A 54 -4.137 6.580 -9.676 1.00 63.44 C ATOM 0 H LEU A 54 -8.216 4.490 -11.288 1.00 40.21 H new ATOM 0 HA LEU A 54 -7.387 7.223 -10.658 1.00 34.12 H new ATOM 0 HB2 LEU A 54 -7.170 5.040 -9.231 1.00 70.34 H new ATOM 0 HB3 LEU A 54 -5.828 4.658 -10.291 1.00 70.34 H new ATOM 0 HG LEU A 54 -5.950 7.272 -8.794 1.00 21.43 H new ATOM 0 HD11 LEU A 54 -4.557 6.206 -7.040 1.00 22.20 H new ATOM 0 HD12 LEU A 54 -6.172 5.464 -7.141 1.00 22.20 H new ATOM 0 HD13 LEU A 54 -4.765 4.633 -7.846 1.00 22.20 H new ATOM 0 HD21 LEU A 54 -3.497 7.173 -9.023 1.00 63.44 H new ATOM 0 HD22 LEU A 54 -3.648 5.632 -9.901 1.00 63.44 H new ATOM 0 HD23 LEU A 54 -4.314 7.125 -10.603 1.00 63.44 H new ATOM 573 N GLY A 55 -6.005 5.381 -12.993 1.00 11.51 N ATOM 574 CA GLY A 55 -5.043 5.387 -14.067 1.00 72.40 C ATOM 575 C GLY A 55 -3.798 4.631 -13.668 1.00 50.02 C ATOM 576 O GLY A 55 -3.627 4.293 -12.496 1.00 13.45 O ATOM 0 H GLY A 55 -6.552 4.524 -12.916 1.00 11.51 H new ATOM 0 HA2 GLY A 55 -5.480 4.935 -14.957 1.00 72.40 H new ATOM 0 HA3 GLY A 55 -4.785 6.414 -14.326 1.00 72.40 H new ATOM 580 N TYR A 56 -2.927 4.360 -14.621 1.00 43.33 N ATOM 581 CA TYR A 56 -1.707 3.641 -14.321 1.00 22.54 C ATOM 582 C TYR A 56 -0.711 4.555 -13.637 1.00 21.21 C ATOM 583 O TYR A 56 -0.274 5.560 -14.199 1.00 72.13 O ATOM 584 CB TYR A 56 -1.105 3.031 -15.585 1.00 11.33 C ATOM 585 CG TYR A 56 -1.678 1.672 -15.913 1.00 32.53 C ATOM 586 CD1 TYR A 56 -2.857 1.542 -16.634 1.00 13.30 C ATOM 587 CD2 TYR A 56 -1.041 0.516 -15.482 1.00 43.03 C ATOM 588 CE1 TYR A 56 -3.386 0.297 -16.916 1.00 3.22 C ATOM 589 CE2 TYR A 56 -1.560 -0.730 -15.763 1.00 62.25 C ATOM 590 CZ TYR A 56 -2.732 -0.836 -16.478 1.00 44.53 C ATOM 591 OH TYR A 56 -3.254 -2.079 -16.751 1.00 43.50 O ATOM 0 H TYR A 56 -3.041 4.624 -15.600 1.00 43.33 H new ATOM 0 HA TYR A 56 -1.950 2.825 -13.641 1.00 22.54 H new ATOM 0 HB2 TYR A 56 -1.277 3.704 -16.425 1.00 11.33 H new ATOM 0 HB3 TYR A 56 -0.025 2.944 -15.462 1.00 11.33 H new ATOM 0 HD1 TYR A 56 -3.369 2.428 -16.980 1.00 13.30 H new ATOM 0 HD2 TYR A 56 -0.124 0.594 -14.917 1.00 43.03 H new ATOM 0 HE1 TYR A 56 -4.306 0.211 -17.476 1.00 3.22 H new ATOM 0 HE2 TYR A 56 -1.049 -1.619 -15.424 1.00 62.25 H new ATOM 0 HH TYR A 56 -3.575 -2.489 -15.921 1.00 43.50 H new ATOM 601 N SER A 57 -0.373 4.200 -12.416 1.00 62.54 N ATOM 602 CA SER A 57 0.559 4.966 -11.621 1.00 23.45 C ATOM 603 C SER A 57 1.577 4.044 -10.979 1.00 41.11 C ATOM 604 O SER A 57 1.423 2.821 -11.006 1.00 13.03 O ATOM 605 CB SER A 57 -0.187 5.755 -10.548 1.00 10.15 C ATOM 606 OG SER A 57 -1.022 6.738 -11.130 1.00 65.33 O ATOM 0 H SER A 57 -0.738 3.371 -11.947 1.00 62.54 H new ATOM 0 HA SER A 57 1.081 5.668 -12.272 1.00 23.45 H new ATOM 0 HB2 SER A 57 -0.787 5.075 -9.943 1.00 10.15 H new ATOM 0 HB3 SER A 57 0.529 6.231 -9.878 1.00 10.15 H new ATOM 0 HG SER A 57 -1.908 6.356 -11.300 1.00 65.33 H new ATOM 612 N ILE A 58 2.605 4.634 -10.401 1.00 24.43 N ATOM 613 CA ILE A 58 3.676 3.872 -9.801 1.00 63.10 C ATOM 614 C ILE A 58 3.506 3.808 -8.292 1.00 20.55 C ATOM 615 O ILE A 58 3.453 4.833 -7.617 1.00 14.34 O ATOM 616 CB ILE A 58 5.043 4.486 -10.147 1.00 11.54 C ATOM 617 CG1 ILE A 58 5.167 4.650 -11.668 1.00 74.12 C ATOM 618 CG2 ILE A 58 6.169 3.623 -9.596 1.00 34.55 C ATOM 619 CD1 ILE A 58 5.163 3.339 -12.430 1.00 40.40 C ATOM 0 H ILE A 58 2.719 5.646 -10.336 1.00 24.43 H new ATOM 0 HA ILE A 58 3.635 2.860 -10.204 1.00 63.10 H new ATOM 0 HB ILE A 58 5.121 5.470 -9.685 1.00 11.54 H new ATOM 0 HG12 ILE A 58 4.344 5.269 -12.025 1.00 74.12 H new ATOM 0 HG13 ILE A 58 6.089 5.186 -11.892 1.00 74.12 H new ATOM 0 HG21 ILE A 58 7.129 4.072 -9.850 1.00 34.55 H new ATOM 0 HG22 ILE A 58 6.077 3.553 -8.512 1.00 34.55 H new ATOM 0 HG23 ILE A 58 6.109 2.625 -10.031 1.00 34.55 H new ATOM 0 HD11 ILE A 58 5.254 3.538 -13.498 1.00 40.40 H new ATOM 0 HD12 ILE A 58 6.002 2.725 -12.103 1.00 40.40 H new ATOM 0 HD13 ILE A 58 4.230 2.809 -12.238 1.00 40.40 H new ATOM 631 N THR A 59 3.394 2.604 -7.780 1.00 35.03 N ATOM 632 CA THR A 59 3.269 2.383 -6.359 1.00 15.25 C ATOM 633 C THR A 59 4.500 1.655 -5.837 1.00 74.23 C ATOM 634 O THR A 59 4.962 0.686 -6.435 1.00 0.32 O ATOM 635 CB THR A 59 1.994 1.580 -6.050 1.00 24.43 C ATOM 636 OG1 THR A 59 0.840 2.375 -6.346 1.00 3.52 O ATOM 637 CG2 THR A 59 1.947 1.131 -4.598 1.00 2.11 C ATOM 0 H THR A 59 3.387 1.750 -8.338 1.00 35.03 H new ATOM 0 HA THR A 59 3.194 3.348 -5.857 1.00 15.25 H new ATOM 0 HB THR A 59 2.003 0.687 -6.675 1.00 24.43 H new ATOM 0 HG1 THR A 59 0.827 3.162 -5.763 1.00 3.52 H new ATOM 0 HG21 THR A 59 1.031 0.567 -4.421 1.00 2.11 H new ATOM 0 HG22 THR A 59 2.809 0.499 -4.384 1.00 2.11 H new ATOM 0 HG23 THR A 59 1.967 2.004 -3.946 1.00 2.11 H new ATOM 645 N VAL A 60 5.039 2.142 -4.734 1.00 42.24 N ATOM 646 CA VAL A 60 6.283 1.622 -4.194 1.00 63.11 C ATOM 647 C VAL A 60 6.108 1.154 -2.755 1.00 65.11 C ATOM 648 O VAL A 60 5.044 1.331 -2.159 1.00 3.44 O ATOM 649 CB VAL A 60 7.391 2.689 -4.243 1.00 23.23 C ATOM 650 CG1 VAL A 60 7.742 3.038 -5.681 1.00 22.41 C ATOM 651 CG2 VAL A 60 6.960 3.930 -3.480 1.00 4.21 C ATOM 0 H VAL A 60 4.631 2.903 -4.191 1.00 42.24 H new ATOM 0 HA VAL A 60 6.570 0.772 -4.812 1.00 63.11 H new ATOM 0 HB VAL A 60 8.283 2.281 -3.768 1.00 23.23 H new ATOM 0 HG11 VAL A 60 8.527 3.794 -5.691 1.00 22.41 H new ATOM 0 HG12 VAL A 60 8.092 2.144 -6.197 1.00 22.41 H new ATOM 0 HG13 VAL A 60 6.858 3.426 -6.187 1.00 22.41 H new ATOM 0 HG21 VAL A 60 7.753 4.677 -3.522 1.00 4.21 H new ATOM 0 HG22 VAL A 60 6.054 4.337 -3.929 1.00 4.21 H new ATOM 0 HG23 VAL A 60 6.764 3.668 -2.440 1.00 4.21 H new ATOM 661 N ALA A 61 7.153 0.537 -2.214 1.00 2.04 N ATOM 662 CA ALA A 61 7.158 0.088 -0.827 1.00 72.52 C ATOM 663 C ALA A 61 6.925 1.257 0.127 1.00 32.31 C ATOM 664 O ALA A 61 7.303 2.390 -0.168 1.00 3.21 O ATOM 665 CB ALA A 61 8.472 -0.611 -0.510 1.00 53.31 C ATOM 0 H ALA A 61 8.015 0.335 -2.721 1.00 2.04 H new ATOM 0 HA ALA A 61 6.341 -0.621 -0.691 1.00 72.52 H new ATOM 0 HB1 ALA A 61 8.466 -0.943 0.528 1.00 53.31 H new ATOM 0 HB2 ALA A 61 8.593 -1.473 -1.166 1.00 53.31 H new ATOM 0 HB3 ALA A 61 9.299 0.082 -0.665 1.00 53.31 H new ATOM 671 N GLU A 62 6.310 0.965 1.269 1.00 14.32 N ATOM 672 CA GLU A 62 5.941 1.984 2.250 1.00 35.21 C ATOM 673 C GLU A 62 7.106 2.929 2.600 1.00 55.51 C ATOM 674 O GLU A 62 6.966 4.144 2.466 1.00 14.02 O ATOM 675 CB GLU A 62 5.380 1.339 3.530 1.00 54.12 C ATOM 676 CG GLU A 62 3.993 0.718 3.378 1.00 41.44 C ATOM 677 CD GLU A 62 3.979 -0.615 2.644 1.00 40.35 C ATOM 678 OE1 GLU A 62 5.054 -1.114 2.244 1.00 14.13 O ATOM 679 OE2 GLU A 62 2.880 -1.177 2.468 1.00 11.51 O ATOM 0 H GLU A 62 6.053 0.016 1.542 1.00 14.32 H new ATOM 0 HA GLU A 62 5.165 2.590 1.783 1.00 35.21 H new ATOM 0 HB2 GLU A 62 6.073 0.568 3.866 1.00 54.12 H new ATOM 0 HB3 GLU A 62 5.340 2.095 4.314 1.00 54.12 H new ATOM 0 HG2 GLU A 62 3.560 0.578 4.369 1.00 41.44 H new ATOM 0 HG3 GLU A 62 3.351 1.419 2.845 1.00 41.44 H new ATOM 686 N PRO A 63 8.279 2.410 3.029 1.00 52.03 N ATOM 687 CA PRO A 63 9.400 3.264 3.441 1.00 55.10 C ATOM 688 C PRO A 63 10.012 4.048 2.282 1.00 21.01 C ATOM 689 O PRO A 63 10.759 5.003 2.499 1.00 72.32 O ATOM 690 CB PRO A 63 10.430 2.280 4.011 1.00 2.10 C ATOM 691 CG PRO A 63 9.687 1.005 4.218 1.00 62.24 C ATOM 692 CD PRO A 63 8.620 0.984 3.166 1.00 10.21 C ATOM 0 HA PRO A 63 9.071 4.021 4.153 1.00 55.10 H new ATOM 0 HB2 PRO A 63 11.264 2.142 3.323 1.00 2.10 H new ATOM 0 HB3 PRO A 63 10.848 2.648 4.948 1.00 2.10 H new ATOM 0 HG2 PRO A 63 10.350 0.145 4.121 1.00 62.24 H new ATOM 0 HG3 PRO A 63 9.253 0.962 5.217 1.00 62.24 H new ATOM 0 HD2 PRO A 63 8.982 0.562 2.229 1.00 10.21 H new ATOM 0 HD3 PRO A 63 7.760 0.389 3.472 1.00 10.21 H new ATOM 700 N ASP A 64 9.685 3.658 1.055 1.00 72.40 N ATOM 701 CA ASP A 64 10.264 4.290 -0.126 1.00 44.23 C ATOM 702 C ASP A 64 9.250 5.172 -0.843 1.00 43.43 C ATOM 703 O ASP A 64 9.551 5.740 -1.895 1.00 23.32 O ATOM 704 CB ASP A 64 10.792 3.237 -1.105 1.00 35.34 C ATOM 705 CG ASP A 64 12.074 2.583 -0.638 1.00 52.40 C ATOM 706 OD1 ASP A 64 13.151 3.199 -0.784 1.00 20.02 O ATOM 707 OD2 ASP A 64 12.018 1.448 -0.127 1.00 35.41 O ATOM 0 H ASP A 64 9.023 2.909 0.852 1.00 72.40 H new ATOM 0 HA ASP A 64 11.089 4.913 0.220 1.00 44.23 H new ATOM 0 HB2 ASP A 64 10.031 2.470 -1.249 1.00 35.34 H new ATOM 0 HB3 ASP A 64 10.962 3.704 -2.075 1.00 35.34 H new ATOM 712 N PHE A 65 8.058 5.297 -0.271 1.00 25.55 N ATOM 713 CA PHE A 65 6.986 6.058 -0.907 1.00 52.35 C ATOM 714 C PHE A 65 7.392 7.513 -1.124 1.00 15.51 C ATOM 715 O PHE A 65 7.262 8.042 -2.228 1.00 10.02 O ATOM 716 CB PHE A 65 5.699 5.987 -0.082 1.00 72.31 C ATOM 717 CG PHE A 65 4.541 6.689 -0.733 1.00 52.32 C ATOM 718 CD1 PHE A 65 4.021 6.224 -1.930 1.00 12.31 C ATOM 719 CD2 PHE A 65 3.984 7.821 -0.160 1.00 64.22 C ATOM 720 CE1 PHE A 65 2.965 6.872 -2.542 1.00 70.34 C ATOM 721 CE2 PHE A 65 2.930 8.475 -0.770 1.00 3.13 C ATOM 722 CZ PHE A 65 2.420 8.000 -1.961 1.00 22.01 C ATOM 0 H PHE A 65 7.809 4.884 0.628 1.00 25.55 H new ATOM 0 HA PHE A 65 6.800 5.606 -1.881 1.00 52.35 H new ATOM 0 HB2 PHE A 65 5.437 4.942 0.082 1.00 72.31 H new ATOM 0 HB3 PHE A 65 5.878 6.428 0.899 1.00 72.31 H new ATOM 0 HD1 PHE A 65 4.446 5.344 -2.390 1.00 12.31 H new ATOM 0 HD2 PHE A 65 4.378 8.196 0.773 1.00 64.22 H new ATOM 0 HE1 PHE A 65 2.567 6.497 -3.473 1.00 70.34 H new ATOM 0 HE2 PHE A 65 2.506 9.358 -0.315 1.00 3.13 H new ATOM 0 HZ PHE A 65 1.596 8.510 -2.438 1.00 22.01 H new ATOM 732 N THR A 66 7.900 8.149 -0.076 1.00 74.21 N ATOM 733 CA THR A 66 8.298 9.549 -0.153 1.00 30.11 C ATOM 734 C THR A 66 9.427 9.747 -1.172 1.00 54.44 C ATOM 735 O THR A 66 9.530 10.803 -1.800 1.00 4.14 O ATOM 736 CB THR A 66 8.727 10.087 1.232 1.00 63.24 C ATOM 737 OG1 THR A 66 8.975 11.497 1.164 1.00 0.33 O ATOM 738 CG2 THR A 66 9.974 9.373 1.741 1.00 53.40 C ATOM 0 H THR A 66 8.046 7.718 0.837 1.00 74.21 H new ATOM 0 HA THR A 66 7.429 10.116 -0.486 1.00 30.11 H new ATOM 0 HB THR A 66 7.911 9.895 1.929 1.00 63.24 H new ATOM 0 HG1 THR A 66 9.244 11.825 2.047 1.00 0.33 H new ATOM 0 HG21 THR A 66 10.250 9.774 2.716 1.00 53.40 H new ATOM 0 HG22 THR A 66 9.771 8.306 1.831 1.00 53.40 H new ATOM 0 HG23 THR A 66 10.794 9.528 1.040 1.00 53.40 H new ATOM 746 N ALA A 67 10.251 8.719 -1.353 1.00 32.44 N ATOM 747 CA ALA A 67 11.351 8.785 -2.302 1.00 14.43 C ATOM 748 C ALA A 67 10.819 8.823 -3.726 1.00 33.02 C ATOM 749 O ALA A 67 11.250 9.640 -4.534 1.00 64.03 O ATOM 750 CB ALA A 67 12.290 7.605 -2.114 1.00 21.00 C ATOM 0 H ALA A 67 10.176 7.832 -0.854 1.00 32.44 H new ATOM 0 HA ALA A 67 11.912 9.701 -2.118 1.00 14.43 H new ATOM 0 HB1 ALA A 67 13.107 7.672 -2.833 1.00 21.00 H new ATOM 0 HB2 ALA A 67 12.695 7.620 -1.102 1.00 21.00 H new ATOM 0 HB3 ALA A 67 11.743 6.676 -2.272 1.00 21.00 H new ATOM 756 N ALA A 68 9.861 7.951 -4.017 1.00 30.02 N ATOM 757 CA ALA A 68 9.250 7.894 -5.340 1.00 10.31 C ATOM 758 C ALA A 68 8.609 9.226 -5.703 1.00 71.10 C ATOM 759 O ALA A 68 8.702 9.679 -6.843 1.00 14.51 O ATOM 760 CB ALA A 68 8.222 6.778 -5.396 1.00 31.22 C ATOM 0 H ALA A 68 9.490 7.272 -3.353 1.00 30.02 H new ATOM 0 HA ALA A 68 10.034 7.687 -6.069 1.00 10.31 H new ATOM 0 HB1 ALA A 68 7.773 6.746 -6.389 1.00 31.22 H new ATOM 0 HB2 ALA A 68 8.708 5.825 -5.187 1.00 31.22 H new ATOM 0 HB3 ALA A 68 7.446 6.961 -4.653 1.00 31.22 H new ATOM 766 N VAL A 69 7.977 9.856 -4.717 1.00 73.20 N ATOM 767 CA VAL A 69 7.352 11.159 -4.912 1.00 12.34 C ATOM 768 C VAL A 69 8.393 12.203 -5.318 1.00 62.14 C ATOM 769 O VAL A 69 8.121 13.089 -6.130 1.00 53.21 O ATOM 770 CB VAL A 69 6.627 11.632 -3.630 1.00 53.32 C ATOM 771 CG1 VAL A 69 5.948 12.975 -3.855 1.00 40.11 C ATOM 772 CG2 VAL A 69 5.612 10.596 -3.167 1.00 72.43 C ATOM 0 H VAL A 69 7.884 9.483 -3.772 1.00 73.20 H new ATOM 0 HA VAL A 69 6.618 11.050 -5.710 1.00 12.34 H new ATOM 0 HB VAL A 69 7.376 11.753 -2.848 1.00 53.32 H new ATOM 0 HG11 VAL A 69 5.445 13.286 -2.939 1.00 40.11 H new ATOM 0 HG12 VAL A 69 6.696 13.719 -4.130 1.00 40.11 H new ATOM 0 HG13 VAL A 69 5.216 12.883 -4.658 1.00 40.11 H new ATOM 0 HG21 VAL A 69 5.115 10.951 -2.264 1.00 72.43 H new ATOM 0 HG22 VAL A 69 4.871 10.437 -3.950 1.00 72.43 H new ATOM 0 HG23 VAL A 69 6.122 9.656 -2.955 1.00 72.43 H new ATOM 782 N TYR A 70 9.594 12.072 -4.771 1.00 61.54 N ATOM 783 CA TYR A 70 10.660 13.025 -5.039 1.00 24.50 C ATOM 784 C TYR A 70 11.210 12.840 -6.452 1.00 64.43 C ATOM 785 O TYR A 70 11.584 13.809 -7.113 1.00 22.11 O ATOM 786 CB TYR A 70 11.782 12.879 -4.008 1.00 11.23 C ATOM 787 CG TYR A 70 12.779 14.018 -4.035 1.00 52.04 C ATOM 788 CD1 TYR A 70 12.543 15.187 -3.323 1.00 15.33 C ATOM 789 CD2 TYR A 70 13.948 13.928 -4.779 1.00 43.34 C ATOM 790 CE1 TYR A 70 13.445 16.233 -3.349 1.00 51.14 C ATOM 791 CE2 TYR A 70 14.853 14.971 -4.811 1.00 71.21 C ATOM 792 CZ TYR A 70 14.597 16.121 -4.096 1.00 15.21 C ATOM 793 OH TYR A 70 15.496 17.165 -4.131 1.00 14.21 O ATOM 0 H TYR A 70 9.854 11.315 -4.139 1.00 61.54 H new ATOM 0 HA TYR A 70 10.245 14.030 -4.961 1.00 24.50 H new ATOM 0 HB2 TYR A 70 11.343 12.814 -3.012 1.00 11.23 H new ATOM 0 HB3 TYR A 70 12.309 11.941 -4.186 1.00 11.23 H new ATOM 0 HD1 TYR A 70 11.639 15.280 -2.739 1.00 15.33 H new ATOM 0 HD2 TYR A 70 14.153 13.029 -5.341 1.00 43.34 H new ATOM 0 HE1 TYR A 70 13.248 17.134 -2.787 1.00 51.14 H new ATOM 0 HE2 TYR A 70 15.758 14.886 -5.394 1.00 71.21 H new ATOM 0 HH TYR A 70 16.255 16.924 -4.703 1.00 14.21 H new ATOM 803 N TRP A 71 11.234 11.596 -6.924 1.00 33.44 N ATOM 804 CA TRP A 71 11.773 11.295 -8.249 1.00 13.54 C ATOM 805 C TRP A 71 10.875 11.864 -9.342 1.00 51.20 C ATOM 806 O TRP A 71 11.334 12.168 -10.445 1.00 13.51 O ATOM 807 CB TRP A 71 11.936 9.782 -8.449 1.00 40.40 C ATOM 808 CG TRP A 71 12.756 9.108 -7.389 1.00 4.21 C ATOM 809 CD1 TRP A 71 12.533 7.872 -6.855 1.00 23.33 C ATOM 810 CD2 TRP A 71 13.918 9.626 -6.724 1.00 4.33 C ATOM 811 NE1 TRP A 71 13.478 7.588 -5.902 1.00 45.11 N ATOM 812 CE2 TRP A 71 14.339 8.649 -5.802 1.00 51.23 C ATOM 813 CE3 TRP A 71 14.643 10.818 -6.817 1.00 14.21 C ATOM 814 CZ2 TRP A 71 15.448 8.828 -4.981 1.00 4.41 C ATOM 815 CZ3 TRP A 71 15.742 10.994 -6.002 1.00 31.23 C ATOM 816 CH2 TRP A 71 16.136 10.004 -5.094 1.00 60.51 C ATOM 0 H TRP A 71 10.889 10.784 -6.413 1.00 33.44 H new ATOM 0 HA TRP A 71 12.755 11.764 -8.317 1.00 13.54 H new ATOM 0 HB2 TRP A 71 10.948 9.322 -8.476 1.00 40.40 H new ATOM 0 HB3 TRP A 71 12.398 9.603 -9.420 1.00 40.40 H new ATOM 0 HD1 TRP A 71 11.728 7.212 -7.142 1.00 23.33 H new ATOM 0 HE1 TRP A 71 13.531 6.727 -5.357 1.00 45.11 H new ATOM 0 HE3 TRP A 71 14.348 11.588 -7.515 1.00 14.21 H new ATOM 0 HZ2 TRP A 71 15.754 8.066 -4.280 1.00 4.41 H new ATOM 0 HZ3 TRP A 71 16.308 11.911 -6.066 1.00 31.23 H new ATOM 0 HH2 TRP A 71 17.001 10.173 -4.470 1.00 60.51 H new ATOM 827 N ILE A 72 9.597 12.025 -9.021 1.00 21.04 N ATOM 828 CA ILE A 72 8.626 12.554 -9.971 1.00 74.03 C ATOM 829 C ILE A 72 8.910 14.027 -10.272 1.00 44.42 C ATOM 830 O ILE A 72 8.544 14.535 -11.332 1.00 55.54 O ATOM 831 CB ILE A 72 7.177 12.392 -9.448 1.00 70.32 C ATOM 832 CG1 ILE A 72 6.903 10.929 -9.096 1.00 13.32 C ATOM 833 CG2 ILE A 72 6.162 12.881 -10.476 1.00 65.54 C ATOM 834 CD1 ILE A 72 7.118 9.975 -10.251 1.00 33.42 C ATOM 0 H ILE A 72 9.208 11.796 -8.106 1.00 21.04 H new ATOM 0 HA ILE A 72 8.723 11.979 -10.892 1.00 74.03 H new ATOM 0 HB ILE A 72 7.073 13.002 -8.551 1.00 70.32 H new ATOM 0 HG12 ILE A 72 7.550 10.636 -8.269 1.00 13.32 H new ATOM 0 HG13 ILE A 72 5.875 10.835 -8.745 1.00 13.32 H new ATOM 0 HG21 ILE A 72 5.154 12.755 -10.081 1.00 65.54 H new ATOM 0 HG22 ILE A 72 6.339 13.935 -10.689 1.00 65.54 H new ATOM 0 HG23 ILE A 72 6.267 12.303 -11.394 1.00 65.54 H new ATOM 0 HD11 ILE A 72 6.905 8.957 -9.926 1.00 33.42 H new ATOM 0 HD12 ILE A 72 6.452 10.241 -11.072 1.00 33.42 H new ATOM 0 HD13 ILE A 72 8.153 10.039 -10.588 1.00 33.42 H new ATOM 846 N LYS A 73 9.587 14.700 -9.347 1.00 72.51 N ATOM 847 CA LYS A 73 9.924 16.112 -9.512 1.00 64.20 C ATOM 848 C LYS A 73 10.833 16.335 -10.711 1.00 73.52 C ATOM 849 O LYS A 73 10.747 17.361 -11.384 1.00 41.00 O ATOM 850 CB LYS A 73 10.602 16.657 -8.255 1.00 23.52 C ATOM 851 CG LYS A 73 9.635 16.953 -7.125 1.00 43.22 C ATOM 852 CD LYS A 73 8.586 17.955 -7.565 1.00 72.11 C ATOM 853 CE LYS A 73 7.710 18.398 -6.405 1.00 14.43 C ATOM 854 NZ LYS A 73 6.604 19.284 -6.851 1.00 15.23 N ATOM 0 H LYS A 73 9.914 14.290 -8.472 1.00 72.51 H new ATOM 0 HA LYS A 73 8.989 16.646 -9.682 1.00 64.20 H new ATOM 0 HB2 LYS A 73 11.342 15.935 -7.909 1.00 23.52 H new ATOM 0 HB3 LYS A 73 11.141 17.570 -8.509 1.00 23.52 H new ATOM 0 HG2 LYS A 73 9.151 16.031 -6.803 1.00 43.22 H new ATOM 0 HG3 LYS A 73 10.181 17.344 -6.266 1.00 43.22 H new ATOM 0 HD2 LYS A 73 9.075 18.824 -8.004 1.00 72.11 H new ATOM 0 HD3 LYS A 73 7.964 17.512 -8.343 1.00 72.11 H new ATOM 0 HE2 LYS A 73 7.295 17.521 -5.909 1.00 14.43 H new ATOM 0 HE3 LYS A 73 8.320 18.922 -5.669 1.00 14.43 H new ATOM 0 HZ1 LYS A 73 6.030 19.564 -6.030 1.00 15.23 H new ATOM 0 HZ2 LYS A 73 7.000 20.133 -7.302 1.00 15.23 H new ATOM 0 HZ3 LYS A 73 6.006 18.776 -7.534 1.00 15.23 H new ATOM 868 N THR A 74 11.692 15.367 -10.977 1.00 4.52 N ATOM 869 CA THR A 74 12.667 15.491 -12.042 1.00 41.21 C ATOM 870 C THR A 74 12.022 15.286 -13.415 1.00 5.13 C ATOM 871 O THR A 74 12.495 15.821 -14.422 1.00 0.22 O ATOM 872 CB THR A 74 13.809 14.482 -11.842 1.00 71.14 C ATOM 873 OG1 THR A 74 14.300 14.577 -10.497 1.00 14.54 O ATOM 874 CG2 THR A 74 14.945 14.750 -12.813 1.00 15.50 C ATOM 0 H THR A 74 11.733 14.484 -10.467 1.00 4.52 H new ATOM 0 HA THR A 74 13.072 16.502 -12.005 1.00 41.21 H new ATOM 0 HB THR A 74 13.422 13.480 -12.029 1.00 71.14 H new ATOM 0 HG1 THR A 74 15.027 13.933 -10.368 1.00 14.54 H new ATOM 0 HG21 THR A 74 15.741 14.023 -12.652 1.00 15.50 H new ATOM 0 HG22 THR A 74 14.577 14.665 -13.836 1.00 15.50 H new ATOM 0 HG23 THR A 74 15.333 15.755 -12.650 1.00 15.50 H new ATOM 882 N TYR A 75 10.932 14.531 -13.452 1.00 11.24 N ATOM 883 CA TYR A 75 10.258 14.249 -14.708 1.00 30.43 C ATOM 884 C TYR A 75 9.513 15.484 -15.205 1.00 2.53 C ATOM 885 O TYR A 75 8.686 16.058 -14.494 1.00 51.20 O ATOM 886 CB TYR A 75 9.292 13.070 -14.561 1.00 43.05 C ATOM 887 CG TYR A 75 8.554 12.754 -15.840 1.00 40.00 C ATOM 888 CD1 TYR A 75 9.232 12.269 -16.951 1.00 70.10 C ATOM 889 CD2 TYR A 75 7.186 12.962 -15.944 1.00 60.44 C ATOM 890 CE1 TYR A 75 8.568 12.004 -18.130 1.00 40.01 C ATOM 891 CE2 TYR A 75 6.513 12.692 -17.119 1.00 5.15 C ATOM 892 CZ TYR A 75 7.210 12.216 -18.210 1.00 70.42 C ATOM 893 OH TYR A 75 6.548 11.961 -19.388 1.00 73.41 O ATOM 0 H TYR A 75 10.500 14.106 -12.632 1.00 11.24 H new ATOM 0 HA TYR A 75 11.017 13.979 -15.443 1.00 30.43 H new ATOM 0 HB2 TYR A 75 9.848 12.189 -14.241 1.00 43.05 H new ATOM 0 HB3 TYR A 75 8.570 13.294 -13.776 1.00 43.05 H new ATOM 0 HD1 TYR A 75 10.296 12.097 -16.890 1.00 70.10 H new ATOM 0 HD2 TYR A 75 6.639 13.341 -15.093 1.00 60.44 H new ATOM 0 HE1 TYR A 75 9.111 11.632 -18.987 1.00 40.01 H new ATOM 0 HE2 TYR A 75 5.447 12.853 -17.183 1.00 5.15 H new ATOM 0 HH TYR A 75 5.595 12.161 -19.278 1.00 73.41 H new ATOM 903 N GLN A 76 9.810 15.885 -16.428 1.00 63.22 N ATOM 904 CA GLN A 76 9.187 17.050 -17.027 1.00 53.33 C ATOM 905 C GLN A 76 8.265 16.620 -18.153 1.00 41.54 C ATOM 906 O GLN A 76 7.061 16.938 -18.090 1.00 63.50 O ATOM 907 CB GLN A 76 10.248 18.020 -17.553 1.00 14.11 C ATOM 908 CG GLN A 76 11.187 18.534 -16.474 1.00 53.30 C ATOM 909 CD GLN A 76 10.470 19.293 -15.371 1.00 51.34 C ATOM 910 OE1 GLN A 76 10.901 19.284 -14.218 1.00 22.14 O ATOM 911 NE2 GLN A 76 9.380 19.965 -15.714 1.00 13.00 N ATOM 912 OXT GLN A 76 8.749 15.944 -19.086 1.00 0.00 O ATOM 0 H GLN A 76 10.486 15.415 -17.030 1.00 63.22 H new ATOM 0 HA GLN A 76 8.603 17.564 -16.264 1.00 53.33 H new ATOM 0 HB2 GLN A 76 10.833 17.522 -18.326 1.00 14.11 H new ATOM 0 HB3 GLN A 76 9.752 18.868 -18.026 1.00 14.11 H new ATOM 0 HG2 GLN A 76 11.724 17.692 -16.037 1.00 53.30 H new ATOM 0 HG3 GLN A 76 11.932 19.186 -16.930 1.00 53.30 H new ATOM 0 HE21 GLN A 76 9.054 19.948 -16.680 1.00 13.00 H new ATOM 0 HE22 GLN A 76 8.868 20.499 -15.012 1.00 13.00 H new TER 921 GLN A 76