USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 ASN : amide:sc= 1.03 K(o=2.2,f=-13!) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -153:sc= 1.15 (180deg=0) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= -1.53! USER MOD Set 2.2: A 61 GLN : amide:sc= -0.0596 K(o=-1.6,f=-7.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= -0.0154 (180deg=-0.164) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0801 X(o=-0.08,f=0.0063) USER MOD Single : A 7 HIS : no HD1:sc= -0.844 X(o=-0.84,f=-0.75) USER MOD Single : A 8 HIS : no HE2:sc= 0.178 K(o=0.18,f=-2.2!) USER MOD Single : A 9 SER OG : rot 110:sc= -0.423 USER MOD Single : A 10 HIS : no HE2:sc=-0.00143 K(o=-0.0014,f=-1.9) USER MOD Single : A 11 MET CE :methyl -163:sc= -0.104 (180deg=-0.566) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0845 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -141:sc= -0.198 (180deg=-0.864) USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= -2.39! (180deg=-4.24!) USER MOD Single : A 37 THR OG1 : rot 160:sc= 0.658 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.84! K(o=-2.8!,f=-0.18) USER MOD Single : A 49 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.71) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0951) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.0573 X(o=-0.057,f=-0.057) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.277 USER MOD Single : A 91 GLN : amide:sc= 0.164 X(o=0.16,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.854 15.464 15.656 1.00 22.44 N ATOM 2 CA MET A 1 -17.374 15.409 15.506 1.00 23.34 C ATOM 3 C MET A 1 -16.701 16.587 16.223 1.00 70.42 C ATOM 4 O MET A 1 -17.249 17.689 16.269 1.00 3.50 O ATOM 5 CB MET A 1 -16.991 15.404 14.016 1.00 1.42 C ATOM 6 CG MET A 1 -17.448 16.642 13.249 1.00 32.11 C ATOM 7 SD MET A 1 -17.068 16.556 11.486 1.00 73.13 S ATOM 8 CE MET A 1 -17.695 18.141 10.921 1.00 53.22 C ATOM 0 H1 MET A 1 -19.304 15.258 14.741 1.00 22.44 H new ATOM 0 H2 MET A 1 -19.158 14.759 16.358 1.00 22.44 H new ATOM 0 H3 MET A 1 -19.136 16.413 15.974 1.00 22.44 H new ATOM 0 HA MET A 1 -17.021 14.487 15.967 1.00 23.34 H new ATOM 0 HB2 MET A 1 -15.908 15.317 13.931 1.00 1.42 H new ATOM 0 HB3 MET A 1 -17.420 14.520 13.545 1.00 1.42 H new ATOM 0 HG2 MET A 1 -18.523 16.767 13.378 1.00 32.11 H new ATOM 0 HG3 MET A 1 -16.971 17.524 13.676 1.00 32.11 H new ATOM 0 HE1 MET A 1 -17.532 18.235 9.847 1.00 53.22 H new ATOM 0 HE2 MET A 1 -18.762 18.207 11.133 1.00 53.22 H new ATOM 0 HE3 MET A 1 -17.172 18.945 11.439 1.00 53.22 H new ATOM 20 N GLY A 2 -15.524 16.343 16.796 1.00 41.24 N ATOM 21 CA GLY A 2 -14.776 17.400 17.466 1.00 62.04 C ATOM 22 C GLY A 2 -13.860 18.163 16.512 1.00 14.00 C ATOM 23 O GLY A 2 -13.215 17.566 15.652 1.00 15.53 O ATOM 0 H GLY A 2 -15.072 15.429 16.809 1.00 41.24 H new ATOM 0 HA2 GLY A 2 -15.474 18.097 17.929 1.00 62.04 H new ATOM 0 HA3 GLY A 2 -14.179 16.966 18.268 1.00 62.04 H new ATOM 27 N HIS A 3 -13.790 19.485 16.666 1.00 13.13 N ATOM 28 CA HIS A 3 -12.964 20.327 15.790 1.00 12.20 C ATOM 29 C HIS A 3 -11.495 20.365 16.249 1.00 42.12 C ATOM 30 O HIS A 3 -10.710 21.189 15.783 1.00 1.41 O ATOM 31 CB HIS A 3 -13.548 21.746 15.721 1.00 2.05 C ATOM 32 CG HIS A 3 -14.949 21.784 15.186 1.00 5.51 C ATOM 33 ND1 HIS A 3 -15.973 22.474 15.795 1.00 22.44 N ATOM 34 CD2 HIS A 3 -15.497 21.204 14.089 1.00 24.44 C ATOM 35 CE1 HIS A 3 -17.082 22.318 15.104 1.00 72.14 C ATOM 36 NE2 HIS A 3 -16.825 21.552 14.064 1.00 35.25 N ATOM 0 H HIS A 3 -14.294 19.999 17.388 1.00 13.13 H new ATOM 0 HA HIS A 3 -12.978 19.886 14.793 1.00 12.20 H new ATOM 0 HB2 HIS A 3 -13.535 22.186 16.718 1.00 2.05 H new ATOM 0 HB3 HIS A 3 -12.909 22.365 15.091 1.00 2.05 H new ATOM 0 HD2 HIS A 3 -14.984 20.584 13.369 1.00 24.44 H new ATOM 0 HE1 HIS A 3 -18.043 22.747 15.349 1.00 72.14 H new ATOM 0 HE2 HIS A 3 -17.501 21.265 13.356 1.00 35.25 H new ATOM 45 N HIS A 4 -11.133 19.468 17.165 1.00 23.12 N ATOM 46 CA HIS A 4 -9.742 19.308 17.613 1.00 0.54 C ATOM 47 C HIS A 4 -9.408 17.820 17.809 1.00 63.11 C ATOM 48 O HIS A 4 -10.249 17.040 18.255 1.00 25.41 O ATOM 49 CB HIS A 4 -9.490 20.080 18.919 1.00 53.44 C ATOM 50 CG HIS A 4 -9.494 21.571 18.753 1.00 13.00 C ATOM 51 ND1 HIS A 4 -8.370 22.294 18.414 1.00 1.22 N ATOM 52 CD2 HIS A 4 -10.493 22.477 18.879 1.00 3.14 C ATOM 53 CE1 HIS A 4 -8.676 23.574 18.343 1.00 13.04 C ATOM 54 NE2 HIS A 4 -9.956 23.713 18.619 1.00 50.21 N ATOM 0 H HIS A 4 -11.789 18.832 17.618 1.00 23.12 H new ATOM 0 HA HIS A 4 -9.092 19.719 16.840 1.00 0.54 H new ATOM 0 HB2 HIS A 4 -10.253 19.803 19.647 1.00 53.44 H new ATOM 0 HB3 HIS A 4 -8.529 19.773 19.332 1.00 53.44 H new ATOM 0 HD2 HIS A 4 -11.521 22.266 19.136 1.00 3.14 H new ATOM 0 HE1 HIS A 4 -7.992 24.374 18.100 1.00 13.04 H new ATOM 0 HE2 HIS A 4 -10.466 24.596 18.637 1.00 50.21 H new ATOM 63 N HIS A 5 -8.180 17.433 17.474 1.00 22.10 N ATOM 64 CA HIS A 5 -7.750 16.036 17.582 1.00 11.01 C ATOM 65 C HIS A 5 -7.327 15.689 19.019 1.00 32.04 C ATOM 66 O HIS A 5 -6.243 16.064 19.471 1.00 41.33 O ATOM 67 CB HIS A 5 -6.595 15.766 16.606 1.00 52.21 C ATOM 68 CG HIS A 5 -6.152 14.335 16.572 1.00 71.23 C ATOM 69 ND1 HIS A 5 -6.712 13.392 15.738 1.00 44.43 N ATOM 70 CD2 HIS A 5 -5.191 13.686 17.272 1.00 25.40 C ATOM 71 CE1 HIS A 5 -6.120 12.232 15.924 1.00 42.11 C ATOM 72 NE2 HIS A 5 -5.194 12.384 16.847 1.00 41.33 N ATOM 0 H HIS A 5 -7.461 18.067 17.124 1.00 22.10 H new ATOM 0 HA HIS A 5 -8.596 15.400 17.322 1.00 11.01 H new ATOM 0 HB2 HIS A 5 -6.902 16.065 15.604 1.00 52.21 H new ATOM 0 HB3 HIS A 5 -5.746 16.393 16.880 1.00 52.21 H new ATOM 0 HD2 HIS A 5 -4.544 14.114 18.023 1.00 25.40 H new ATOM 0 HE1 HIS A 5 -6.354 11.313 15.408 1.00 42.11 H new ATOM 0 HE2 HIS A 5 -4.577 11.649 17.191 1.00 41.33 H new ATOM 81 N HIS A 6 -8.187 14.969 19.735 1.00 23.43 N ATOM 82 CA HIS A 6 -7.887 14.559 21.112 1.00 11.44 C ATOM 83 C HIS A 6 -6.969 13.325 21.135 1.00 64.22 C ATOM 84 O HIS A 6 -6.664 12.748 20.088 1.00 2.03 O ATOM 85 CB HIS A 6 -9.186 14.297 21.884 1.00 62.40 C ATOM 86 CG HIS A 6 -10.031 15.529 22.041 1.00 12.32 C ATOM 87 ND1 HIS A 6 -10.124 16.239 23.221 1.00 4.44 N ATOM 88 CD2 HIS A 6 -10.818 16.184 21.155 1.00 40.43 C ATOM 89 CE1 HIS A 6 -10.923 17.270 23.053 1.00 13.43 C ATOM 90 NE2 HIS A 6 -11.358 17.261 21.810 1.00 60.44 N ATOM 0 H HIS A 6 -9.095 14.657 19.390 1.00 23.43 H new ATOM 0 HA HIS A 6 -7.354 15.372 21.604 1.00 11.44 H new ATOM 0 HB2 HIS A 6 -9.762 13.531 21.366 1.00 62.40 H new ATOM 0 HB3 HIS A 6 -8.943 13.901 22.870 1.00 62.40 H new ATOM 0 HD2 HIS A 6 -10.989 15.909 20.125 1.00 40.43 H new ATOM 0 HE1 HIS A 6 -11.179 18.000 23.807 1.00 13.43 H new ATOM 0 HE2 HIS A 6 -11.994 17.945 21.400 1.00 60.44 H new ATOM 99 N HIS A 7 -6.524 12.937 22.332 1.00 0.11 N ATOM 100 CA HIS A 7 -5.513 11.879 22.490 1.00 41.35 C ATOM 101 C HIS A 7 -4.220 12.248 21.730 1.00 63.44 C ATOM 102 O HIS A 7 -3.509 11.389 21.205 1.00 32.20 O ATOM 103 CB HIS A 7 -6.068 10.520 22.024 1.00 54.12 C ATOM 104 CG HIS A 7 -5.098 9.383 22.159 1.00 62.42 C ATOM 105 ND1 HIS A 7 -4.413 9.110 23.322 1.00 4.45 N ATOM 106 CD2 HIS A 7 -4.665 8.473 21.255 1.00 72.54 C ATOM 107 CE1 HIS A 7 -3.605 8.091 23.128 1.00 10.33 C ATOM 108 NE2 HIS A 7 -3.736 7.683 21.883 1.00 34.31 N ATOM 0 H HIS A 7 -6.847 13.339 23.212 1.00 0.11 H new ATOM 0 HA HIS A 7 -5.267 11.791 23.548 1.00 41.35 H new ATOM 0 HB2 HIS A 7 -6.964 10.289 22.600 1.00 54.12 H new ATOM 0 HB3 HIS A 7 -6.372 10.602 20.980 1.00 54.12 H new ATOM 0 HD2 HIS A 7 -4.991 8.385 20.229 1.00 72.54 H new ATOM 0 HE1 HIS A 7 -2.944 7.661 23.866 1.00 10.33 H new ATOM 0 HE2 HIS A 7 -3.230 6.907 21.456 1.00 34.31 H new ATOM 117 N HIS A 8 -3.915 13.544 21.693 1.00 23.52 N ATOM 118 CA HIS A 8 -2.711 14.040 21.012 1.00 13.43 C ATOM 119 C HIS A 8 -1.435 13.791 21.843 1.00 11.03 C ATOM 120 O HIS A 8 -0.821 14.721 22.371 1.00 54.53 O ATOM 121 CB HIS A 8 -2.866 15.533 20.658 1.00 54.30 C ATOM 122 CG HIS A 8 -3.449 16.386 21.753 1.00 53.44 C ATOM 123 ND1 HIS A 8 -4.621 17.095 21.605 1.00 0.45 N ATOM 124 CD2 HIS A 8 -3.013 16.653 23.009 1.00 10.14 C ATOM 125 CE1 HIS A 8 -4.878 17.759 22.713 1.00 31.21 C ATOM 126 NE2 HIS A 8 -3.921 17.510 23.580 1.00 50.43 N ATOM 0 H HIS A 8 -4.482 14.273 22.125 1.00 23.52 H new ATOM 0 HA HIS A 8 -2.600 13.477 20.085 1.00 13.43 H new ATOM 0 HB2 HIS A 8 -1.888 15.931 20.389 1.00 54.30 H new ATOM 0 HB3 HIS A 8 -3.499 15.618 19.775 1.00 54.30 H new ATOM 0 HD1 HIS A 8 -5.201 17.104 20.766 1.00 0.45 H new ATOM 0 HD2 HIS A 8 -2.119 16.264 23.473 1.00 10.14 H new ATOM 0 HE1 HIS A 8 -5.731 18.400 22.881 1.00 31.21 H new ATOM 135 N SER A 9 -1.050 12.521 21.954 1.00 1.23 N ATOM 136 CA SER A 9 0.139 12.118 22.724 1.00 23.33 C ATOM 137 C SER A 9 0.488 10.646 22.483 1.00 63.41 C ATOM 138 O SER A 9 -0.295 9.901 21.892 1.00 52.21 O ATOM 139 CB SER A 9 -0.086 12.343 24.227 1.00 3.22 C ATOM 140 OG SER A 9 1.003 11.848 24.997 1.00 12.40 O ATOM 0 H SER A 9 -1.545 11.743 21.518 1.00 1.23 H new ATOM 0 HA SER A 9 0.969 12.736 22.383 1.00 23.33 H new ATOM 0 HB2 SER A 9 -0.216 13.408 24.421 1.00 3.22 H new ATOM 0 HB3 SER A 9 -1.006 11.848 24.536 1.00 3.22 H new ATOM 0 HG SER A 9 1.501 12.600 25.380 1.00 12.40 H new ATOM 146 N HIS A 10 1.670 10.232 22.932 1.00 72.24 N ATOM 147 CA HIS A 10 2.079 8.824 22.856 1.00 22.02 C ATOM 148 C HIS A 10 2.493 8.291 24.235 1.00 55.20 C ATOM 149 O HIS A 10 3.248 7.324 24.335 1.00 70.42 O ATOM 150 CB HIS A 10 3.218 8.624 21.839 1.00 1.41 C ATOM 151 CG HIS A 10 4.510 9.295 22.199 1.00 23.54 C ATOM 152 ND1 HIS A 10 5.351 8.820 23.181 1.00 44.51 N ATOM 153 CD2 HIS A 10 5.121 10.392 21.686 1.00 4.51 C ATOM 154 CE1 HIS A 10 6.416 9.590 23.258 1.00 32.30 C ATOM 155 NE2 HIS A 10 6.303 10.551 22.367 1.00 72.32 N ATOM 0 H HIS A 10 2.365 10.849 23.353 1.00 72.24 H new ATOM 0 HA HIS A 10 1.215 8.254 22.514 1.00 22.02 H new ATOM 0 HB2 HIS A 10 3.400 7.555 21.724 1.00 1.41 H new ATOM 0 HB3 HIS A 10 2.889 8.997 20.869 1.00 1.41 H new ATOM 0 HD1 HIS A 10 5.176 7.998 23.759 1.00 44.51 H new ATOM 0 HD2 HIS A 10 4.748 11.022 20.892 1.00 4.51 H new ATOM 0 HE1 HIS A 10 7.244 9.455 23.939 1.00 32.30 H new ATOM 164 N MET A 11 1.998 8.931 25.294 1.00 44.40 N ATOM 165 CA MET A 11 2.235 8.456 26.664 1.00 25.14 C ATOM 166 C MET A 11 1.515 7.122 26.924 1.00 24.21 C ATOM 167 O MET A 11 1.990 6.292 27.698 1.00 1.33 O ATOM 168 CB MET A 11 1.786 9.514 27.682 1.00 43.51 C ATOM 169 CG MET A 11 2.645 10.774 27.666 1.00 51.43 C ATOM 170 SD MET A 11 4.379 10.428 28.028 1.00 54.51 S ATOM 171 CE MET A 11 4.252 9.745 29.682 1.00 45.13 C ATOM 0 H MET A 11 1.432 9.777 25.234 1.00 44.40 H new ATOM 0 HA MET A 11 3.306 8.288 26.781 1.00 25.14 H new ATOM 0 HB2 MET A 11 0.750 9.787 27.478 1.00 43.51 H new ATOM 0 HB3 MET A 11 1.811 9.079 28.681 1.00 43.51 H new ATOM 0 HG2 MET A 11 2.569 11.250 26.689 1.00 51.43 H new ATOM 0 HG3 MET A 11 2.258 11.484 28.398 1.00 51.43 H new ATOM 0 HE1 MET A 11 5.232 9.762 30.159 1.00 45.13 H new ATOM 0 HE2 MET A 11 3.552 10.340 30.269 1.00 45.13 H new ATOM 0 HE3 MET A 11 3.895 8.717 29.625 1.00 45.13 H new ATOM 181 N ALA A 12 0.365 6.930 26.277 1.00 74.12 N ATOM 182 CA ALA A 12 -0.371 5.665 26.362 1.00 20.51 C ATOM 183 C ALA A 12 0.229 4.624 25.404 1.00 44.44 C ATOM 184 O ALA A 12 0.318 4.858 24.196 1.00 43.52 O ATOM 185 CB ALA A 12 -1.848 5.890 26.060 1.00 12.11 C ATOM 0 H ALA A 12 -0.079 7.634 25.687 1.00 74.12 H new ATOM 0 HA ALA A 12 -0.283 5.280 27.378 1.00 20.51 H new ATOM 0 HB1 ALA A 12 -2.382 4.942 26.127 1.00 12.11 H new ATOM 0 HB2 ALA A 12 -2.264 6.592 26.782 1.00 12.11 H new ATOM 0 HB3 ALA A 12 -1.956 6.297 25.055 1.00 12.11 H new ATOM 191 N LYS A 13 0.624 3.474 25.946 1.00 23.44 N ATOM 192 CA LYS A 13 1.370 2.467 25.180 1.00 0.34 C ATOM 193 C LYS A 13 0.470 1.636 24.241 1.00 0.12 C ATOM 194 O LYS A 13 -0.393 0.876 24.694 1.00 35.32 O ATOM 195 CB LYS A 13 2.124 1.531 26.138 1.00 63.34 C ATOM 196 CG LYS A 13 3.135 2.249 27.033 1.00 14.34 C ATOM 197 CD LYS A 13 4.222 2.957 26.226 1.00 2.02 C ATOM 198 CE LYS A 13 5.028 1.983 25.375 1.00 52.21 C ATOM 199 NZ LYS A 13 6.139 2.661 24.657 1.00 14.31 N ATOM 0 H LYS A 13 0.441 3.212 26.915 1.00 23.44 H new ATOM 0 HA LYS A 13 2.075 3.009 24.550 1.00 0.34 H new ATOM 0 HB2 LYS A 13 1.401 1.011 26.767 1.00 63.34 H new ATOM 0 HB3 LYS A 13 2.644 0.771 25.555 1.00 63.34 H new ATOM 0 HG2 LYS A 13 2.614 2.977 27.654 1.00 14.34 H new ATOM 0 HG3 LYS A 13 3.597 1.528 27.707 1.00 14.34 H new ATOM 0 HD2 LYS A 13 3.764 3.708 25.582 1.00 2.02 H new ATOM 0 HD3 LYS A 13 4.892 3.485 26.905 1.00 2.02 H new ATOM 0 HE2 LYS A 13 5.434 1.196 26.010 1.00 52.21 H new ATOM 0 HE3 LYS A 13 4.369 1.502 24.652 1.00 52.21 H new ATOM 0 HZ1 LYS A 13 6.662 1.964 24.090 1.00 14.31 H new ATOM 0 HZ2 LYS A 13 5.751 3.395 24.031 1.00 14.31 H new ATOM 0 HZ3 LYS A 13 6.782 3.099 25.347 1.00 14.31 H new ATOM 213 N PRO A 14 0.658 1.774 22.912 1.00 44.24 N ATOM 214 CA PRO A 14 -0.041 0.963 21.915 1.00 4.11 C ATOM 215 C PRO A 14 0.755 -0.297 21.515 1.00 51.01 C ATOM 216 O PRO A 14 1.835 -0.204 20.925 1.00 54.33 O ATOM 217 CB PRO A 14 -0.160 1.938 20.738 1.00 11.12 C ATOM 218 CG PRO A 14 1.063 2.806 20.827 1.00 31.25 C ATOM 219 CD PRO A 14 1.550 2.753 22.264 1.00 34.44 C ATOM 0 HA PRO A 14 -0.994 0.574 22.274 1.00 4.11 H new ATOM 0 HB2 PRO A 14 -0.198 1.406 19.787 1.00 11.12 H new ATOM 0 HB3 PRO A 14 -1.071 2.532 20.808 1.00 11.12 H new ATOM 0 HG2 PRO A 14 1.836 2.451 20.146 1.00 31.25 H new ATOM 0 HG3 PRO A 14 0.829 3.831 20.538 1.00 31.25 H new ATOM 0 HD2 PRO A 14 2.593 2.440 22.320 1.00 34.44 H new ATOM 0 HD3 PRO A 14 1.484 3.730 22.743 1.00 34.44 H new ATOM 227 N THR A 15 0.229 -1.474 21.857 1.00 62.40 N ATOM 228 CA THR A 15 0.897 -2.749 21.536 1.00 32.22 C ATOM 229 C THR A 15 -0.090 -3.784 20.979 1.00 43.34 C ATOM 230 O THR A 15 -0.088 -4.073 19.783 1.00 52.43 O ATOM 231 CB THR A 15 1.609 -3.361 22.770 1.00 61.45 C ATOM 232 OG1 THR A 15 0.672 -3.524 23.851 1.00 35.35 O ATOM 233 CG2 THR A 15 2.777 -2.490 23.230 1.00 25.20 C ATOM 0 H THR A 15 -0.655 -1.577 22.355 1.00 62.40 H new ATOM 0 HA THR A 15 1.641 -2.510 20.776 1.00 32.22 H new ATOM 0 HB THR A 15 2.004 -4.334 22.477 1.00 61.45 H new ATOM 0 HG1 THR A 15 1.130 -3.913 24.625 1.00 35.35 H new ATOM 0 HG21 THR A 15 3.253 -2.948 24.097 1.00 25.20 H new ATOM 0 HG22 THR A 15 3.503 -2.399 22.422 1.00 25.20 H new ATOM 0 HG23 THR A 15 2.409 -1.500 23.500 1.00 25.20 H new ATOM 241 N ALA A 16 -0.947 -4.322 21.848 1.00 3.22 N ATOM 242 CA ALA A 16 -1.901 -5.370 21.463 1.00 32.20 C ATOM 243 C ALA A 16 -2.822 -4.924 20.317 1.00 75.14 C ATOM 244 O ALA A 16 -3.764 -4.158 20.524 1.00 4.04 O ATOM 245 CB ALA A 16 -2.729 -5.790 22.671 1.00 31.32 C ATOM 0 H ALA A 16 -1.002 -4.049 22.829 1.00 3.22 H new ATOM 0 HA ALA A 16 -1.324 -6.221 21.102 1.00 32.20 H new ATOM 0 HB1 ALA A 16 -3.434 -6.567 22.376 1.00 31.32 H new ATOM 0 HB2 ALA A 16 -2.069 -6.174 23.449 1.00 31.32 H new ATOM 0 HB3 ALA A 16 -3.277 -4.929 23.053 1.00 31.32 H new ATOM 251 N ARG A 17 -2.531 -5.394 19.104 1.00 24.33 N ATOM 252 CA ARG A 17 -3.347 -5.072 17.929 1.00 73.11 C ATOM 253 C ARG A 17 -4.474 -6.100 17.737 1.00 40.51 C ATOM 254 O ARG A 17 -4.390 -7.228 18.226 1.00 73.14 O ATOM 255 CB ARG A 17 -2.473 -5.017 16.665 1.00 14.31 C ATOM 256 CG ARG A 17 -1.314 -4.017 16.732 1.00 11.54 C ATOM 257 CD ARG A 17 -1.780 -2.583 17.002 1.00 40.20 C ATOM 258 NE ARG A 17 -2.118 -2.358 18.411 1.00 44.13 N ATOM 259 CZ ARG A 17 -2.929 -1.426 18.837 1.00 70.43 C ATOM 260 NH1 ARG A 17 -3.526 -0.636 18.004 1.00 40.25 N ATOM 261 NH2 ARG A 17 -3.152 -1.297 20.105 1.00 75.35 N ATOM 0 H ARG A 17 -1.735 -6.000 18.907 1.00 24.33 H new ATOM 0 HA ARG A 17 -3.797 -4.093 18.096 1.00 73.11 H new ATOM 0 HB2 ARG A 17 -2.067 -6.011 16.477 1.00 14.31 H new ATOM 0 HB3 ARG A 17 -3.105 -4.764 15.813 1.00 14.31 H new ATOM 0 HG2 ARG A 17 -0.622 -4.323 17.517 1.00 11.54 H new ATOM 0 HG3 ARG A 17 -0.763 -4.044 15.792 1.00 11.54 H new ATOM 0 HD2 ARG A 17 -0.995 -1.887 16.704 1.00 40.20 H new ATOM 0 HD3 ARG A 17 -2.651 -2.365 16.384 1.00 40.20 H new ATOM 0 HE ARG A 17 -1.691 -2.971 19.106 1.00 44.13 H new ATOM 0 HH11 ARG A 17 -3.366 -0.737 17.002 1.00 40.25 H new ATOM 0 HH12 ARG A 17 -4.157 0.087 18.350 1.00 40.25 H new ATOM 0 HH21 ARG A 17 -2.695 -1.922 20.769 1.00 75.35 H new ATOM 0 HH22 ARG A 17 -3.785 -0.570 20.440 1.00 75.35 H new ATOM 275 N GLY A 18 -5.525 -5.705 17.024 1.00 43.42 N ATOM 276 CA GLY A 18 -6.657 -6.600 16.788 1.00 51.12 C ATOM 277 C GLY A 18 -6.918 -6.849 15.308 1.00 51.12 C ATOM 278 O GLY A 18 -6.952 -5.906 14.512 1.00 21.24 O ATOM 0 H GLY A 18 -5.618 -4.781 16.603 1.00 43.42 H new ATOM 0 HA2 GLY A 18 -6.470 -7.552 17.284 1.00 51.12 H new ATOM 0 HA3 GLY A 18 -7.551 -6.174 17.243 1.00 51.12 H new ATOM 282 N GLU A 19 -7.112 -8.119 14.940 1.00 31.54 N ATOM 283 CA GLU A 19 -7.351 -8.498 13.541 1.00 23.50 C ATOM 284 C GLU A 19 -8.707 -7.977 13.033 1.00 11.13 C ATOM 285 O GLU A 19 -9.706 -7.991 13.759 1.00 74.00 O ATOM 286 CB GLU A 19 -7.298 -10.028 13.376 1.00 24.20 C ATOM 287 CG GLU A 19 -5.953 -10.659 13.739 1.00 73.00 C ATOM 288 CD GLU A 19 -5.893 -12.146 13.405 1.00 34.34 C ATOM 289 OE1 GLU A 19 -5.537 -12.489 12.256 1.00 45.42 O ATOM 290 OE2 GLU A 19 -6.209 -12.978 14.283 1.00 15.25 O ATOM 0 H GLU A 19 -7.108 -8.904 15.591 1.00 31.54 H new ATOM 0 HA GLU A 19 -6.561 -8.039 12.946 1.00 23.50 H new ATOM 0 HB2 GLU A 19 -8.074 -10.475 13.997 1.00 24.20 H new ATOM 0 HB3 GLU A 19 -7.535 -10.278 12.342 1.00 24.20 H new ATOM 0 HG2 GLU A 19 -5.156 -10.139 13.207 1.00 73.00 H new ATOM 0 HG3 GLU A 19 -5.767 -10.522 14.804 1.00 73.00 H new ATOM 297 N ALA A 20 -8.731 -7.517 11.784 1.00 74.02 N ATOM 298 CA ALA A 20 -9.968 -7.059 11.140 1.00 31.50 C ATOM 299 C ALA A 20 -10.379 -8.014 10.008 1.00 43.24 C ATOM 300 O ALA A 20 -11.400 -8.697 10.099 1.00 4.00 O ATOM 301 CB ALA A 20 -9.795 -5.634 10.622 1.00 11.52 C ATOM 0 H ALA A 20 -7.904 -7.450 11.191 1.00 74.02 H new ATOM 0 HA ALA A 20 -10.768 -7.059 11.880 1.00 31.50 H new ATOM 0 HB1 ALA A 20 -10.719 -5.305 10.146 1.00 11.52 H new ATOM 0 HB2 ALA A 20 -9.559 -4.971 11.454 1.00 11.52 H new ATOM 0 HB3 ALA A 20 -8.983 -5.607 9.895 1.00 11.52 H new ATOM 307 N GLY A 21 -9.582 -8.055 8.942 1.00 54.34 N ATOM 308 CA GLY A 21 -9.767 -9.062 7.900 1.00 21.01 C ATOM 309 C GLY A 21 -10.562 -8.592 6.681 1.00 12.30 C ATOM 310 O GLY A 21 -11.581 -9.190 6.332 1.00 14.03 O ATOM 0 H GLY A 21 -8.809 -7.409 8.778 1.00 54.34 H new ATOM 0 HA2 GLY A 21 -8.787 -9.402 7.566 1.00 21.01 H new ATOM 0 HA3 GLY A 21 -10.273 -9.924 8.335 1.00 21.01 H new ATOM 314 N SER A 22 -10.112 -7.520 6.032 1.00 0.11 N ATOM 315 CA SER A 22 -10.666 -7.124 4.724 1.00 35.41 C ATOM 316 C SER A 22 -9.931 -7.856 3.597 1.00 23.31 C ATOM 317 O SER A 22 -8.767 -8.217 3.756 1.00 22.43 O ATOM 318 CB SER A 22 -10.548 -5.606 4.500 1.00 21.22 C ATOM 319 OG SER A 22 -11.414 -4.879 5.357 1.00 23.22 O ATOM 0 H SER A 22 -9.372 -6.910 6.380 1.00 0.11 H new ATOM 0 HA SER A 22 -11.722 -7.396 4.718 1.00 35.41 H new ATOM 0 HB2 SER A 22 -9.518 -5.292 4.672 1.00 21.22 H new ATOM 0 HB3 SER A 22 -10.783 -5.372 3.462 1.00 21.22 H new ATOM 0 HG SER A 22 -11.311 -3.919 5.188 1.00 23.22 H new ATOM 325 N ARG A 23 -10.602 -8.072 2.462 1.00 12.33 N ATOM 326 CA ARG A 23 -9.965 -8.710 1.293 1.00 40.12 C ATOM 327 C ARG A 23 -8.617 -8.041 0.975 1.00 32.54 C ATOM 328 O ARG A 23 -7.614 -8.708 0.710 1.00 45.33 O ATOM 329 CB ARG A 23 -10.887 -8.616 0.071 1.00 44.14 C ATOM 330 CG ARG A 23 -12.280 -9.192 0.293 1.00 14.33 C ATOM 331 CD ARG A 23 -13.178 -8.968 -0.918 1.00 71.00 C ATOM 332 NE ARG A 23 -13.261 -7.553 -1.290 1.00 61.00 N ATOM 333 CZ ARG A 23 -14.376 -6.904 -1.488 1.00 73.42 C ATOM 334 NH1 ARG A 23 -15.520 -7.491 -1.331 1.00 42.02 N ATOM 335 NH2 ARG A 23 -14.349 -5.656 -1.832 1.00 41.34 N ATOM 0 H ARG A 23 -11.580 -7.818 2.322 1.00 12.33 H new ATOM 0 HA ARG A 23 -9.788 -9.759 1.532 1.00 40.12 H new ATOM 0 HB2 ARG A 23 -10.981 -7.570 -0.219 1.00 44.14 H new ATOM 0 HB3 ARG A 23 -10.419 -9.138 -0.764 1.00 44.14 H new ATOM 0 HG2 ARG A 23 -12.205 -10.260 0.498 1.00 14.33 H new ATOM 0 HG3 ARG A 23 -12.730 -8.729 1.171 1.00 14.33 H new ATOM 0 HD2 ARG A 23 -12.797 -9.542 -1.762 1.00 71.00 H new ATOM 0 HD3 ARG A 23 -14.178 -9.345 -0.702 1.00 71.00 H new ATOM 0 HE ARG A 23 -12.387 -7.040 -1.402 1.00 61.00 H new ATOM 0 HH11 ARG A 23 -15.556 -8.471 -1.050 1.00 42.02 H new ATOM 0 HH12 ARG A 23 -16.385 -6.973 -1.489 1.00 42.02 H new ATOM 0 HH21 ARG A 23 -13.455 -5.178 -1.949 1.00 41.34 H new ATOM 0 HH22 ARG A 23 -15.221 -5.151 -1.986 1.00 41.34 H new ATOM 349 N ASP A 24 -8.623 -6.712 1.016 1.00 3.44 N ATOM 350 CA ASP A 24 -7.412 -5.905 0.857 1.00 3.42 C ATOM 351 C ASP A 24 -6.325 -6.306 1.877 1.00 74.22 C ATOM 352 O ASP A 24 -5.211 -6.681 1.496 1.00 64.40 O ATOM 353 CB ASP A 24 -7.788 -4.425 1.004 1.00 25.23 C ATOM 354 CG ASP A 24 -6.584 -3.515 1.164 1.00 43.51 C ATOM 355 OD1 ASP A 24 -5.819 -3.366 0.193 1.00 41.20 O ATOM 356 OD2 ASP A 24 -6.408 -2.948 2.263 1.00 62.30 O ATOM 0 H ASP A 24 -9.469 -6.160 1.161 1.00 3.44 H new ATOM 0 HA ASP A 24 -6.991 -6.081 -0.133 1.00 3.42 H new ATOM 0 HB2 ASP A 24 -8.357 -4.113 0.129 1.00 25.23 H new ATOM 0 HB3 ASP A 24 -8.442 -4.307 1.868 1.00 25.23 H new ATOM 361 N GLU A 25 -6.659 -6.238 3.168 1.00 43.14 N ATOM 362 CA GLU A 25 -5.724 -6.612 4.243 1.00 74.44 C ATOM 363 C GLU A 25 -5.187 -8.047 4.070 1.00 43.33 C ATOM 364 O GLU A 25 -3.998 -8.307 4.269 1.00 73.45 O ATOM 365 CB GLU A 25 -6.407 -6.493 5.615 1.00 55.41 C ATOM 366 CG GLU A 25 -6.912 -5.092 5.949 1.00 4.54 C ATOM 367 CD GLU A 25 -7.543 -5.020 7.332 1.00 62.32 C ATOM 368 OE1 GLU A 25 -8.703 -5.462 7.485 1.00 12.25 O ATOM 369 OE2 GLU A 25 -6.872 -4.549 8.277 1.00 33.44 O ATOM 0 H GLU A 25 -7.572 -5.927 3.500 1.00 43.14 H new ATOM 0 HA GLU A 25 -4.882 -5.922 4.185 1.00 74.44 H new ATOM 0 HB2 GLU A 25 -7.247 -7.187 5.650 1.00 55.41 H new ATOM 0 HB3 GLU A 25 -5.703 -6.806 6.386 1.00 55.41 H new ATOM 0 HG2 GLU A 25 -6.083 -4.386 5.893 1.00 4.54 H new ATOM 0 HG3 GLU A 25 -7.643 -4.784 5.202 1.00 4.54 H new ATOM 376 N ARG A 26 -6.066 -8.972 3.691 1.00 41.11 N ATOM 377 CA ARG A 26 -5.688 -10.384 3.549 1.00 5.03 C ATOM 378 C ARG A 26 -4.641 -10.580 2.442 1.00 25.22 C ATOM 379 O ARG A 26 -3.746 -11.412 2.567 1.00 63.40 O ATOM 380 CB ARG A 26 -6.925 -11.257 3.295 1.00 31.15 C ATOM 381 CG ARG A 26 -7.963 -11.182 4.417 1.00 30.20 C ATOM 382 CD ARG A 26 -9.014 -12.280 4.292 1.00 2.32 C ATOM 383 NE ARG A 26 -8.437 -13.607 4.495 1.00 50.23 N ATOM 384 CZ ARG A 26 -8.878 -14.697 3.929 1.00 14.00 C ATOM 385 NH1 ARG A 26 -9.887 -14.663 3.117 1.00 53.21 N ATOM 386 NH2 ARG A 26 -8.303 -15.830 4.174 1.00 42.42 N ATOM 0 H ARG A 26 -7.043 -8.774 3.476 1.00 41.11 H new ATOM 0 HA ARG A 26 -5.234 -10.700 4.488 1.00 5.03 H new ATOM 0 HB2 ARG A 26 -7.391 -10.950 2.358 1.00 31.15 H new ATOM 0 HB3 ARG A 26 -6.610 -12.293 3.170 1.00 31.15 H new ATOM 0 HG2 ARG A 26 -7.462 -11.267 5.381 1.00 30.20 H new ATOM 0 HG3 ARG A 26 -8.451 -10.208 4.396 1.00 30.20 H new ATOM 0 HD2 ARG A 26 -9.805 -12.111 5.023 1.00 2.32 H new ATOM 0 HD3 ARG A 26 -9.476 -12.231 3.306 1.00 2.32 H new ATOM 0 HE ARG A 26 -7.636 -13.687 5.121 1.00 50.23 H new ATOM 0 HH11 ARG A 26 -10.348 -13.776 2.913 1.00 53.21 H new ATOM 0 HH12 ARG A 26 -10.221 -15.523 2.682 1.00 53.21 H new ATOM 0 HH21 ARG A 26 -7.506 -15.871 4.809 1.00 42.42 H new ATOM 0 HH22 ARG A 26 -8.647 -16.683 3.732 1.00 42.42 H new ATOM 400 N ARG A 27 -4.742 -9.796 1.369 1.00 64.40 N ATOM 401 CA ARG A 27 -3.718 -9.809 0.317 1.00 53.25 C ATOM 402 C ARG A 27 -2.361 -9.346 0.872 1.00 71.41 C ATOM 403 O ARG A 27 -1.308 -9.860 0.489 1.00 52.32 O ATOM 404 CB ARG A 27 -4.138 -8.918 -0.862 1.00 1.31 C ATOM 405 CG ARG A 27 -5.344 -9.439 -1.640 1.00 0.24 C ATOM 406 CD ARG A 27 -5.075 -10.816 -2.241 1.00 75.42 C ATOM 407 NE ARG A 27 -6.187 -11.283 -3.069 1.00 0.50 N ATOM 408 CZ ARG A 27 -6.253 -12.470 -3.613 1.00 22.13 C ATOM 409 NH1 ARG A 27 -5.297 -13.325 -3.447 1.00 43.34 N ATOM 410 NH2 ARG A 27 -7.275 -12.797 -4.334 1.00 53.54 N ATOM 0 H ARG A 27 -5.513 -9.149 1.203 1.00 64.40 H new ATOM 0 HA ARG A 27 -3.616 -10.834 -0.040 1.00 53.25 H new ATOM 0 HB2 ARG A 27 -4.365 -7.920 -0.486 1.00 1.31 H new ATOM 0 HB3 ARG A 27 -3.295 -8.817 -1.545 1.00 1.31 H new ATOM 0 HG2 ARG A 27 -6.208 -9.493 -0.978 1.00 0.24 H new ATOM 0 HG3 ARG A 27 -5.595 -8.737 -2.435 1.00 0.24 H new ATOM 0 HD2 ARG A 27 -4.167 -10.777 -2.843 1.00 75.42 H new ATOM 0 HD3 ARG A 27 -4.895 -11.532 -1.439 1.00 75.42 H new ATOM 0 HE ARG A 27 -6.962 -10.640 -3.233 1.00 0.50 H new ATOM 0 HH11 ARG A 27 -4.482 -13.076 -2.887 1.00 43.34 H new ATOM 0 HH12 ARG A 27 -5.359 -14.248 -3.876 1.00 43.34 H new ATOM 0 HH21 ARG A 27 -8.032 -12.128 -4.479 1.00 53.54 H new ATOM 0 HH22 ARG A 27 -7.325 -13.724 -4.758 1.00 53.54 H new ATOM 424 N ALA A 28 -2.398 -8.380 1.788 1.00 71.24 N ATOM 425 CA ALA A 28 -1.183 -7.872 2.426 1.00 51.40 C ATOM 426 C ALA A 28 -0.498 -8.948 3.286 1.00 0.22 C ATOM 427 O ALA A 28 0.691 -9.219 3.128 1.00 74.34 O ATOM 428 CB ALA A 28 -1.508 -6.647 3.272 1.00 0.40 C ATOM 0 H ALA A 28 -3.257 -7.932 2.106 1.00 71.24 H new ATOM 0 HA ALA A 28 -0.487 -7.590 1.637 1.00 51.40 H new ATOM 0 HB1 ALA A 28 -0.597 -6.277 3.742 1.00 0.40 H new ATOM 0 HB2 ALA A 28 -1.931 -5.868 2.637 1.00 0.40 H new ATOM 0 HB3 ALA A 28 -2.230 -6.918 4.043 1.00 0.40 H new ATOM 434 N LEU A 29 -1.254 -9.560 4.200 1.00 62.43 N ATOM 435 CA LEU A 29 -0.700 -10.595 5.087 1.00 53.31 C ATOM 436 C LEU A 29 -0.370 -11.894 4.324 1.00 33.52 C ATOM 437 O LEU A 29 0.477 -12.677 4.757 1.00 53.44 O ATOM 438 CB LEU A 29 -1.654 -10.858 6.271 1.00 14.13 C ATOM 439 CG LEU A 29 -3.104 -11.253 5.917 1.00 33.24 C ATOM 440 CD1 LEU A 29 -3.217 -12.742 5.590 1.00 61.42 C ATOM 441 CD2 LEU A 29 -4.058 -10.870 7.049 1.00 53.52 C ATOM 0 H LEU A 29 -2.244 -9.362 4.348 1.00 62.43 H new ATOM 0 HA LEU A 29 0.243 -10.221 5.486 1.00 53.31 H new ATOM 0 HB2 LEU A 29 -1.225 -11.651 6.884 1.00 14.13 H new ATOM 0 HB3 LEU A 29 -1.687 -9.960 6.888 1.00 14.13 H new ATOM 0 HG LEU A 29 -3.390 -10.699 5.023 1.00 33.24 H new ATOM 0 HD11 LEU A 29 -4.251 -12.983 5.346 1.00 61.42 H new ATOM 0 HD12 LEU A 29 -2.579 -12.977 4.738 1.00 61.42 H new ATOM 0 HD13 LEU A 29 -2.901 -13.329 6.453 1.00 61.42 H new ATOM 0 HD21 LEU A 29 -5.075 -11.157 6.780 1.00 53.52 H new ATOM 0 HD22 LEU A 29 -3.765 -11.387 7.963 1.00 53.52 H new ATOM 0 HD23 LEU A 29 -4.016 -9.793 7.212 1.00 53.52 H new ATOM 453 N ALA A 30 -1.036 -12.113 3.190 1.00 5.14 N ATOM 454 CA ALA A 30 -0.717 -13.245 2.309 1.00 14.30 C ATOM 455 C ALA A 30 0.695 -13.102 1.722 1.00 11.45 C ATOM 456 O ALA A 30 1.435 -14.081 1.594 1.00 11.42 O ATOM 457 CB ALA A 30 -1.750 -13.358 1.192 1.00 50.44 C ATOM 0 H ALA A 30 -1.799 -11.524 2.857 1.00 5.14 H new ATOM 0 HA ALA A 30 -0.746 -14.158 2.904 1.00 14.30 H new ATOM 0 HB1 ALA A 30 -1.499 -14.201 0.548 1.00 50.44 H new ATOM 0 HB2 ALA A 30 -2.738 -13.513 1.625 1.00 50.44 H new ATOM 0 HB3 ALA A 30 -1.752 -12.440 0.604 1.00 50.44 H new ATOM 463 N MET A 31 1.058 -11.869 1.372 1.00 62.14 N ATOM 464 CA MET A 31 2.400 -11.559 0.863 1.00 21.55 C ATOM 465 C MET A 31 3.323 -11.049 1.984 1.00 73.10 C ATOM 466 O MET A 31 4.438 -10.600 1.723 1.00 42.02 O ATOM 467 CB MET A 31 2.299 -10.513 -0.255 1.00 74.33 C ATOM 468 CG MET A 31 1.571 -11.010 -1.497 1.00 70.41 C ATOM 469 SD MET A 31 2.464 -12.330 -2.338 1.00 33.24 S ATOM 470 CE MET A 31 3.982 -11.480 -2.785 1.00 72.25 C ATOM 0 H MET A 31 0.439 -11.061 1.431 1.00 62.14 H new ATOM 0 HA MET A 31 2.835 -12.477 0.467 1.00 21.55 H new ATOM 0 HB2 MET A 31 1.784 -9.633 0.129 1.00 74.33 H new ATOM 0 HB3 MET A 31 3.304 -10.197 -0.536 1.00 74.33 H new ATOM 0 HG2 MET A 31 0.581 -11.368 -1.215 1.00 70.41 H new ATOM 0 HG3 MET A 31 1.425 -10.178 -2.186 1.00 70.41 H new ATOM 0 HE1 MET A 31 4.298 -11.797 -3.779 1.00 72.25 H new ATOM 0 HE2 MET A 31 3.810 -10.404 -2.785 1.00 72.25 H new ATOM 0 HE3 MET A 31 4.761 -11.723 -2.062 1.00 72.25 H new ATOM 480 N LYS A 32 2.843 -11.128 3.228 1.00 32.21 N ATOM 481 CA LYS A 32 3.611 -10.705 4.411 1.00 12.22 C ATOM 482 C LYS A 32 4.071 -9.236 4.326 1.00 73.15 C ATOM 483 O LYS A 32 5.260 -8.946 4.158 1.00 4.21 O ATOM 484 CB LYS A 32 4.817 -11.633 4.634 1.00 31.21 C ATOM 485 CG LYS A 32 4.444 -13.106 4.788 1.00 53.35 C ATOM 486 CD LYS A 32 5.666 -13.991 5.054 1.00 20.01 C ATOM 487 CE LYS A 32 6.181 -13.874 6.490 1.00 24.21 C ATOM 488 NZ LYS A 32 6.671 -12.509 6.828 1.00 51.11 N ATOM 0 H LYS A 32 1.913 -11.486 3.447 1.00 32.21 H new ATOM 0 HA LYS A 32 2.939 -10.780 5.266 1.00 12.22 H new ATOM 0 HB2 LYS A 32 5.504 -11.528 3.794 1.00 31.21 H new ATOM 0 HB3 LYS A 32 5.353 -11.309 5.526 1.00 31.21 H new ATOM 0 HG2 LYS A 32 3.734 -13.215 5.608 1.00 53.35 H new ATOM 0 HG3 LYS A 32 3.941 -13.448 3.883 1.00 53.35 H new ATOM 0 HD2 LYS A 32 5.408 -15.030 4.849 1.00 20.01 H new ATOM 0 HD3 LYS A 32 6.464 -13.718 4.363 1.00 20.01 H new ATOM 0 HE2 LYS A 32 5.382 -14.147 7.179 1.00 24.21 H new ATOM 0 HE3 LYS A 32 6.989 -14.590 6.639 1.00 24.21 H new ATOM 0 HZ1 LYS A 32 7.438 -12.579 7.527 1.00 51.11 H new ATOM 0 HZ2 LYS A 32 7.028 -12.045 5.968 1.00 51.11 H new ATOM 0 HZ3 LYS A 32 5.890 -11.948 7.225 1.00 51.11 H new ATOM 502 N ILE A 33 3.117 -8.312 4.427 1.00 74.25 N ATOM 503 CA ILE A 33 3.425 -6.876 4.461 1.00 50.53 C ATOM 504 C ILE A 33 3.557 -6.376 5.918 1.00 14.34 C ATOM 505 O ILE A 33 2.603 -6.432 6.695 1.00 33.32 O ATOM 506 CB ILE A 33 2.338 -6.055 3.713 1.00 33.35 C ATOM 507 CG1 ILE A 33 2.280 -6.463 2.226 1.00 61.22 C ATOM 508 CG2 ILE A 33 2.594 -4.555 3.848 1.00 64.23 C ATOM 509 CD1 ILE A 33 3.576 -6.244 1.468 1.00 0.51 C ATOM 0 H ILE A 33 2.122 -8.529 4.487 1.00 74.25 H new ATOM 0 HA ILE A 33 4.379 -6.730 3.954 1.00 50.53 H new ATOM 0 HB ILE A 33 1.374 -6.275 4.171 1.00 33.35 H new ATOM 0 HG12 ILE A 33 2.008 -7.516 2.161 1.00 61.22 H new ATOM 0 HG13 ILE A 33 1.487 -5.898 1.737 1.00 61.22 H new ATOM 0 HG21 ILE A 33 1.819 -4.004 3.315 1.00 64.23 H new ATOM 0 HG22 ILE A 33 2.578 -4.277 4.902 1.00 64.23 H new ATOM 0 HG23 ILE A 33 3.568 -4.312 3.423 1.00 64.23 H new ATOM 0 HD11 ILE A 33 3.449 -6.556 0.432 1.00 0.51 H new ATOM 0 HD12 ILE A 33 3.841 -5.187 1.498 1.00 0.51 H new ATOM 0 HD13 ILE A 33 4.371 -6.831 1.929 1.00 0.51 H new ATOM 521 N PRO A 34 4.753 -5.885 6.311 1.00 31.50 N ATOM 522 CA PRO A 34 5.032 -5.465 7.702 1.00 1.44 C ATOM 523 C PRO A 34 4.510 -4.054 8.058 1.00 0.54 C ATOM 524 O PRO A 34 5.058 -3.387 8.942 1.00 41.44 O ATOM 525 CB PRO A 34 6.564 -5.502 7.750 1.00 32.44 C ATOM 526 CG PRO A 34 6.986 -5.146 6.363 1.00 14.45 C ATOM 527 CD PRO A 34 5.936 -5.714 5.441 1.00 23.34 C ATOM 0 HA PRO A 34 4.529 -6.108 8.424 1.00 1.44 H new ATOM 0 HB2 PRO A 34 6.956 -4.793 8.479 1.00 32.44 H new ATOM 0 HB3 PRO A 34 6.929 -6.488 8.036 1.00 32.44 H new ATOM 0 HG2 PRO A 34 7.063 -4.065 6.246 1.00 14.45 H new ATOM 0 HG3 PRO A 34 7.968 -5.562 6.137 1.00 14.45 H new ATOM 0 HD2 PRO A 34 5.727 -5.040 4.610 1.00 23.34 H new ATOM 0 HD3 PRO A 34 6.255 -6.663 5.009 1.00 23.34 H new ATOM 535 N PHE A 35 3.450 -3.608 7.385 1.00 42.34 N ATOM 536 CA PHE A 35 2.825 -2.310 7.686 1.00 32.10 C ATOM 537 C PHE A 35 1.348 -2.279 7.247 1.00 45.34 C ATOM 538 O PHE A 35 0.982 -2.875 6.234 1.00 55.02 O ATOM 539 CB PHE A 35 3.622 -1.149 7.050 1.00 63.22 C ATOM 540 CG PHE A 35 4.032 -1.372 5.612 1.00 72.24 C ATOM 541 CD1 PHE A 35 3.175 -1.056 4.570 1.00 74.33 C ATOM 542 CD2 PHE A 35 5.285 -1.888 5.308 1.00 4.40 C ATOM 543 CE1 PHE A 35 3.556 -1.255 3.256 1.00 60.14 C ATOM 544 CE2 PHE A 35 5.671 -2.088 3.998 1.00 11.51 C ATOM 545 CZ PHE A 35 4.804 -1.770 2.970 1.00 4.42 C ATOM 0 H PHE A 35 3.002 -4.123 6.627 1.00 42.34 H new ATOM 0 HA PHE A 35 2.846 -2.177 8.768 1.00 32.10 H new ATOM 0 HB2 PHE A 35 3.020 -0.242 7.105 1.00 63.22 H new ATOM 0 HB3 PHE A 35 4.518 -0.974 7.645 1.00 63.22 H new ATOM 0 HD1 PHE A 35 2.198 -0.650 4.787 1.00 74.33 H new ATOM 0 HD2 PHE A 35 5.967 -2.136 6.108 1.00 4.40 H new ATOM 0 HE1 PHE A 35 2.877 -1.007 2.453 1.00 60.14 H new ATOM 0 HE2 PHE A 35 6.648 -2.492 3.777 1.00 11.51 H new ATOM 0 HZ PHE A 35 5.103 -1.924 1.944 1.00 4.42 H new ATOM 555 N PRO A 36 0.476 -1.584 8.015 1.00 51.24 N ATOM 556 CA PRO A 36 -0.979 -1.568 7.757 1.00 14.23 C ATOM 557 C PRO A 36 -1.370 -0.853 6.451 1.00 41.14 C ATOM 558 O PRO A 36 -0.857 0.225 6.131 1.00 35.32 O ATOM 559 CB PRO A 36 -1.547 -0.823 8.977 1.00 62.43 C ATOM 560 CG PRO A 36 -0.419 0.022 9.465 1.00 14.25 C ATOM 561 CD PRO A 36 0.834 -0.772 9.196 1.00 74.11 C ATOM 0 HA PRO A 36 -1.368 -2.578 7.628 1.00 14.23 H new ATOM 0 HB2 PRO A 36 -2.408 -0.214 8.703 1.00 62.43 H new ATOM 0 HB3 PRO A 36 -1.881 -1.520 9.746 1.00 62.43 H new ATOM 0 HG2 PRO A 36 -0.394 0.980 8.945 1.00 14.25 H new ATOM 0 HG3 PRO A 36 -0.524 0.239 10.528 1.00 14.25 H new ATOM 0 HD2 PRO A 36 1.686 -0.123 8.994 1.00 74.11 H new ATOM 0 HD3 PRO A 36 1.104 -1.397 10.047 1.00 74.11 H new ATOM 569 N THR A 37 -2.311 -1.450 5.719 1.00 70.04 N ATOM 570 CA THR A 37 -2.769 -0.904 4.434 1.00 14.03 C ATOM 571 C THR A 37 -3.441 0.463 4.607 1.00 11.42 C ATOM 572 O THR A 37 -3.335 1.333 3.740 1.00 41.13 O ATOM 573 CB THR A 37 -3.758 -1.862 3.730 1.00 34.14 C ATOM 574 OG1 THR A 37 -4.936 -2.035 4.533 1.00 45.24 O ATOM 575 CG2 THR A 37 -3.114 -3.225 3.470 1.00 61.01 C ATOM 0 H THR A 37 -2.775 -2.316 5.993 1.00 70.04 H new ATOM 0 HA THR A 37 -1.879 -0.789 3.816 1.00 14.03 H new ATOM 0 HB THR A 37 -4.030 -1.418 2.773 1.00 34.14 H new ATOM 0 HG1 THR A 37 -5.668 -2.366 3.972 1.00 45.24 H new ATOM 0 HG21 THR A 37 -3.832 -3.878 2.974 1.00 61.01 H new ATOM 0 HG22 THR A 37 -2.239 -3.098 2.833 1.00 61.01 H new ATOM 0 HG23 THR A 37 -2.812 -3.671 4.417 1.00 61.01 H new ATOM 583 N ASP A 38 -4.127 0.644 5.736 1.00 22.34 N ATOM 584 CA ASP A 38 -4.727 1.935 6.091 1.00 63.23 C ATOM 585 C ASP A 38 -3.709 3.076 5.933 1.00 74.41 C ATOM 586 O ASP A 38 -3.981 4.092 5.288 1.00 35.24 O ATOM 587 CB ASP A 38 -5.233 1.895 7.537 1.00 55.44 C ATOM 588 CG ASP A 38 -6.172 0.730 7.790 1.00 52.12 C ATOM 589 OD1 ASP A 38 -5.691 -0.415 7.903 1.00 62.01 O ATOM 590 OD2 ASP A 38 -7.394 0.956 7.896 1.00 63.34 O ATOM 0 H ASP A 38 -4.283 -0.091 6.426 1.00 22.34 H new ATOM 0 HA ASP A 38 -5.563 2.120 5.416 1.00 63.23 H new ATOM 0 HB2 ASP A 38 -4.382 1.826 8.215 1.00 55.44 H new ATOM 0 HB3 ASP A 38 -5.747 2.829 7.765 1.00 55.44 H new ATOM 595 N LYS A 39 -2.524 2.883 6.512 1.00 23.12 N ATOM 596 CA LYS A 39 -1.447 3.871 6.426 1.00 73.35 C ATOM 597 C LYS A 39 -1.003 4.085 4.966 1.00 55.53 C ATOM 598 O LYS A 39 -0.788 5.216 4.539 1.00 44.13 O ATOM 599 CB LYS A 39 -0.255 3.437 7.296 1.00 13.44 C ATOM 600 CG LYS A 39 0.955 4.363 7.187 1.00 12.22 C ATOM 601 CD LYS A 39 2.091 3.960 8.127 1.00 21.23 C ATOM 602 CE LYS A 39 1.714 4.146 9.593 1.00 45.03 C ATOM 603 NZ LYS A 39 2.867 3.887 10.496 1.00 2.34 N ATOM 0 H LYS A 39 -2.284 2.049 7.048 1.00 23.12 H new ATOM 0 HA LYS A 39 -1.827 4.821 6.801 1.00 73.35 H new ATOM 0 HB2 LYS A 39 -0.574 3.392 8.337 1.00 13.44 H new ATOM 0 HB3 LYS A 39 0.044 2.428 7.010 1.00 13.44 H new ATOM 0 HG2 LYS A 39 1.320 4.359 6.160 1.00 12.22 H new ATOM 0 HG3 LYS A 39 0.648 5.384 7.412 1.00 12.22 H new ATOM 0 HD2 LYS A 39 2.355 2.917 7.950 1.00 21.23 H new ATOM 0 HD3 LYS A 39 2.976 4.555 7.902 1.00 21.23 H new ATOM 0 HE2 LYS A 39 1.351 5.162 9.749 1.00 45.03 H new ATOM 0 HE3 LYS A 39 0.895 3.472 9.846 1.00 45.03 H new ATOM 0 HZ1 LYS A 39 2.572 4.023 11.484 1.00 2.34 H new ATOM 0 HZ2 LYS A 39 3.198 2.910 10.365 1.00 2.34 H new ATOM 0 HZ3 LYS A 39 3.639 4.547 10.271 1.00 2.34 H new ATOM 617 N ILE A 40 -0.888 2.992 4.206 1.00 73.52 N ATOM 618 CA ILE A 40 -0.525 3.060 2.781 1.00 13.01 C ATOM 619 C ILE A 40 -1.443 4.029 2.014 1.00 24.44 C ATOM 620 O ILE A 40 -0.989 4.822 1.183 1.00 60.53 O ATOM 621 CB ILE A 40 -0.613 1.660 2.116 1.00 52.33 C ATOM 622 CG1 ILE A 40 0.317 0.658 2.824 1.00 73.04 C ATOM 623 CG2 ILE A 40 -0.286 1.742 0.623 1.00 40.10 C ATOM 624 CD1 ILE A 40 0.208 -0.761 2.294 1.00 54.52 C ATOM 0 H ILE A 40 -1.041 2.045 4.552 1.00 73.52 H new ATOM 0 HA ILE A 40 0.502 3.424 2.734 1.00 13.01 H new ATOM 0 HB ILE A 40 -1.638 1.303 2.218 1.00 52.33 H new ATOM 0 HG12 ILE A 40 1.348 0.997 2.719 1.00 73.04 H new ATOM 0 HG13 ILE A 40 0.089 0.656 3.890 1.00 73.04 H new ATOM 0 HG21 ILE A 40 -0.355 0.748 0.180 1.00 40.10 H new ATOM 0 HG22 ILE A 40 -0.995 2.408 0.131 1.00 40.10 H new ATOM 0 HG23 ILE A 40 0.725 2.128 0.493 1.00 40.10 H new ATOM 0 HD11 ILE A 40 0.893 -1.408 2.842 1.00 54.52 H new ATOM 0 HD12 ILE A 40 -0.813 -1.121 2.424 1.00 54.52 H new ATOM 0 HD13 ILE A 40 0.465 -0.775 1.235 1.00 54.52 H new ATOM 636 N VAL A 41 -2.738 3.955 2.304 1.00 42.43 N ATOM 637 CA VAL A 41 -3.735 4.800 1.636 1.00 70.03 C ATOM 638 C VAL A 41 -3.729 6.245 2.179 1.00 54.24 C ATOM 639 O VAL A 41 -3.972 7.199 1.435 1.00 54.33 O ATOM 640 CB VAL A 41 -5.156 4.200 1.791 1.00 53.42 C ATOM 641 CG1 VAL A 41 -6.195 5.042 1.048 1.00 61.25 C ATOM 642 CG2 VAL A 41 -5.183 2.750 1.305 1.00 32.24 C ATOM 0 H VAL A 41 -3.128 3.318 2.999 1.00 42.43 H new ATOM 0 HA VAL A 41 -3.463 4.831 0.581 1.00 70.03 H new ATOM 0 HB VAL A 41 -5.414 4.212 2.850 1.00 53.42 H new ATOM 0 HG11 VAL A 41 -7.182 4.597 1.175 1.00 61.25 H new ATOM 0 HG12 VAL A 41 -6.199 6.054 1.452 1.00 61.25 H new ATOM 0 HG13 VAL A 41 -5.945 5.075 -0.013 1.00 61.25 H new ATOM 0 HG21 VAL A 41 -6.189 2.346 1.422 1.00 32.24 H new ATOM 0 HG22 VAL A 41 -4.897 2.713 0.254 1.00 32.24 H new ATOM 0 HG23 VAL A 41 -4.483 2.156 1.893 1.00 32.24 H new ATOM 652 N ASN A 42 -3.446 6.400 3.472 1.00 21.55 N ATOM 653 CA ASN A 42 -3.474 7.724 4.120 1.00 20.02 C ATOM 654 C ASN A 42 -2.213 8.558 3.817 1.00 73.31 C ATOM 655 O ASN A 42 -2.281 9.785 3.721 1.00 73.25 O ATOM 656 CB ASN A 42 -3.642 7.573 5.639 1.00 21.41 C ATOM 657 CG ASN A 42 -5.029 7.095 6.048 1.00 44.42 C ATOM 658 OD1 ASN A 42 -5.540 7.470 7.100 1.00 72.33 O ATOM 659 ND2 ASN A 42 -5.645 6.254 5.242 1.00 62.03 N ATOM 0 H ASN A 42 -3.195 5.632 4.095 1.00 21.55 H new ATOM 0 HA ASN A 42 -4.328 8.259 3.705 1.00 20.02 H new ATOM 0 HB2 ASN A 42 -2.898 6.869 6.011 1.00 21.41 H new ATOM 0 HB3 ASN A 42 -3.440 8.532 6.117 1.00 21.41 H new ATOM 0 HD21 ASN A 42 -6.569 5.898 5.486 1.00 62.03 H new ATOM 0 HD22 ASN A 42 -5.198 5.959 4.374 1.00 62.03 H new ATOM 666 N LEU A 43 -1.064 7.899 3.670 1.00 20.52 N ATOM 667 CA LEU A 43 0.198 8.604 3.403 1.00 20.03 C ATOM 668 C LEU A 43 0.224 9.228 1.998 1.00 11.11 C ATOM 669 O LEU A 43 -0.377 8.702 1.058 1.00 13.32 O ATOM 670 CB LEU A 43 1.397 7.653 3.556 1.00 71.53 C ATOM 671 CG LEU A 43 1.687 7.166 4.985 1.00 41.13 C ATOM 672 CD1 LEU A 43 2.915 6.260 4.996 1.00 32.50 C ATOM 673 CD2 LEU A 43 1.877 8.348 5.939 1.00 33.04 C ATOM 0 H LEU A 43 -0.977 6.885 3.730 1.00 20.52 H new ATOM 0 HA LEU A 43 0.270 9.407 4.137 1.00 20.03 H new ATOM 0 HB2 LEU A 43 1.229 6.782 2.923 1.00 71.53 H new ATOM 0 HB3 LEU A 43 2.286 8.156 3.176 1.00 71.53 H new ATOM 0 HG LEU A 43 0.828 6.591 5.332 1.00 41.13 H new ATOM 0 HD11 LEU A 43 3.109 5.922 6.014 1.00 32.50 H new ATOM 0 HD12 LEU A 43 2.736 5.397 4.355 1.00 32.50 H new ATOM 0 HD13 LEU A 43 3.779 6.813 4.626 1.00 32.50 H new ATOM 0 HD21 LEU A 43 2.081 7.976 6.943 1.00 33.04 H new ATOM 0 HD22 LEU A 43 2.715 8.958 5.601 1.00 33.04 H new ATOM 0 HD23 LEU A 43 0.971 8.953 5.953 1.00 33.04 H new ATOM 685 N PRO A 44 0.910 10.377 1.838 1.00 32.24 N ATOM 686 CA PRO A 44 1.143 10.977 0.515 1.00 55.51 C ATOM 687 C PRO A 44 2.238 10.228 -0.265 1.00 33.42 C ATOM 688 O PRO A 44 2.949 9.392 0.298 1.00 24.23 O ATOM 689 CB PRO A 44 1.591 12.404 0.861 1.00 43.13 C ATOM 690 CG PRO A 44 2.247 12.274 2.194 1.00 64.23 C ATOM 691 CD PRO A 44 1.498 11.187 2.926 1.00 3.10 C ATOM 0 HA PRO A 44 0.264 10.941 -0.128 1.00 55.51 H new ATOM 0 HB2 PRO A 44 2.282 12.795 0.115 1.00 43.13 H new ATOM 0 HB3 PRO A 44 0.743 13.088 0.900 1.00 43.13 H new ATOM 0 HG2 PRO A 44 3.301 12.016 2.086 1.00 64.23 H new ATOM 0 HG3 PRO A 44 2.203 13.215 2.743 1.00 64.23 H new ATOM 0 HD2 PRO A 44 2.164 10.594 3.553 1.00 3.10 H new ATOM 0 HD3 PRO A 44 0.729 11.600 3.579 1.00 3.10 H new ATOM 699 N VAL A 45 2.381 10.533 -1.557 1.00 62.40 N ATOM 700 CA VAL A 45 3.374 9.855 -2.405 1.00 0.43 C ATOM 701 C VAL A 45 4.792 9.945 -1.807 1.00 51.31 C ATOM 702 O VAL A 45 5.590 9.019 -1.933 1.00 62.14 O ATOM 703 CB VAL A 45 3.379 10.427 -3.849 1.00 1.44 C ATOM 704 CG1 VAL A 45 3.769 11.906 -3.859 1.00 74.32 C ATOM 705 CG2 VAL A 45 4.299 9.609 -4.758 1.00 23.32 C ATOM 0 H VAL A 45 1.827 11.240 -2.040 1.00 62.40 H new ATOM 0 HA VAL A 45 3.081 8.806 -2.446 1.00 0.43 H new ATOM 0 HB VAL A 45 2.365 10.351 -4.240 1.00 1.44 H new ATOM 0 HG11 VAL A 45 3.763 12.277 -4.884 1.00 74.32 H new ATOM 0 HG12 VAL A 45 3.055 12.475 -3.263 1.00 74.32 H new ATOM 0 HG13 VAL A 45 4.767 12.022 -3.437 1.00 74.32 H new ATOM 0 HG21 VAL A 45 4.285 10.030 -5.763 1.00 23.32 H new ATOM 0 HG22 VAL A 45 5.316 9.638 -4.367 1.00 23.32 H new ATOM 0 HG23 VAL A 45 3.952 8.576 -4.792 1.00 23.32 H new ATOM 715 N ASP A 46 5.087 11.061 -1.143 1.00 35.51 N ATOM 716 CA ASP A 46 6.389 11.278 -0.501 1.00 44.51 C ATOM 717 C ASP A 46 6.707 10.171 0.528 1.00 25.22 C ATOM 718 O ASP A 46 7.689 9.437 0.384 1.00 42.34 O ATOM 719 CB ASP A 46 6.395 12.653 0.170 1.00 11.20 C ATOM 720 CG ASP A 46 6.020 13.759 -0.804 1.00 73.50 C ATOM 721 OD1 ASP A 46 4.807 14.028 -0.974 1.00 4.31 O ATOM 722 OD2 ASP A 46 6.932 14.357 -1.421 1.00 3.12 O ATOM 0 H ASP A 46 4.436 11.839 -1.033 1.00 35.51 H new ATOM 0 HA ASP A 46 7.165 11.239 -1.266 1.00 44.51 H new ATOM 0 HB2 ASP A 46 5.696 12.652 1.006 1.00 11.20 H new ATOM 0 HB3 ASP A 46 7.384 12.852 0.582 1.00 11.20 H new ATOM 727 N ASP A 47 5.867 10.054 1.558 1.00 11.33 N ATOM 728 CA ASP A 47 6.010 8.995 2.570 1.00 70.22 C ATOM 729 C ASP A 47 5.868 7.589 1.951 1.00 3.45 C ATOM 730 O ASP A 47 6.535 6.644 2.373 1.00 4.33 O ATOM 731 CB ASP A 47 4.965 9.175 3.679 1.00 70.05 C ATOM 732 CG ASP A 47 5.167 10.451 4.473 1.00 3.13 C ATOM 733 OD1 ASP A 47 5.002 11.545 3.898 1.00 43.12 O ATOM 734 OD2 ASP A 47 5.501 10.369 5.676 1.00 30.31 O ATOM 0 H ASP A 47 5.077 10.679 1.717 1.00 11.33 H new ATOM 0 HA ASP A 47 7.012 9.081 2.991 1.00 70.22 H new ATOM 0 HB2 ASP A 47 3.969 9.181 3.236 1.00 70.05 H new ATOM 0 HB3 ASP A 47 5.008 8.321 4.355 1.00 70.05 H new ATOM 739 N PHE A 48 4.992 7.466 0.955 1.00 70.12 N ATOM 740 CA PHE A 48 4.760 6.189 0.264 1.00 73.03 C ATOM 741 C PHE A 48 6.056 5.644 -0.360 1.00 5.41 C ATOM 742 O PHE A 48 6.426 4.486 -0.147 1.00 72.24 O ATOM 743 CB PHE A 48 3.684 6.378 -0.817 1.00 33.14 C ATOM 744 CG PHE A 48 3.374 5.130 -1.605 1.00 2.52 C ATOM 745 CD1 PHE A 48 2.619 4.110 -1.043 1.00 51.03 C ATOM 746 CD2 PHE A 48 3.834 4.979 -2.907 1.00 62.22 C ATOM 747 CE1 PHE A 48 2.331 2.966 -1.761 1.00 21.51 C ATOM 748 CE2 PHE A 48 3.549 3.834 -3.627 1.00 32.04 C ATOM 749 CZ PHE A 48 2.796 2.828 -3.054 1.00 14.23 C ATOM 0 H PHE A 48 4.426 8.238 0.603 1.00 70.12 H new ATOM 0 HA PHE A 48 4.416 5.459 0.996 1.00 73.03 H new ATOM 0 HB2 PHE A 48 2.768 6.733 -0.344 1.00 33.14 H new ATOM 0 HB3 PHE A 48 4.010 7.158 -1.506 1.00 33.14 H new ATOM 0 HD1 PHE A 48 2.252 4.212 -0.032 1.00 51.03 H new ATOM 0 HD2 PHE A 48 4.420 5.764 -3.361 1.00 62.22 H new ATOM 0 HE1 PHE A 48 1.743 2.180 -1.312 1.00 21.51 H new ATOM 0 HE2 PHE A 48 3.915 3.726 -4.637 1.00 32.04 H new ATOM 0 HZ PHE A 48 2.571 1.934 -3.617 1.00 14.23 H new ATOM 759 N ASN A 49 6.740 6.487 -1.130 1.00 51.15 N ATOM 760 CA ASN A 49 8.018 6.115 -1.744 1.00 15.32 C ATOM 761 C ASN A 49 9.040 5.683 -0.681 1.00 75.34 C ATOM 762 O ASN A 49 9.737 4.678 -0.846 1.00 4.31 O ATOM 763 CB ASN A 49 8.572 7.288 -2.556 1.00 53.22 C ATOM 764 CG ASN A 49 7.671 7.671 -3.718 1.00 25.14 C ATOM 765 OD1 ASN A 49 7.024 6.827 -4.334 1.00 24.22 O ATOM 766 ND2 ASN A 49 7.617 8.951 -4.026 1.00 61.41 N ATOM 0 H ASN A 49 6.432 7.435 -1.346 1.00 51.15 H new ATOM 0 HA ASN A 49 7.840 5.269 -2.408 1.00 15.32 H new ATOM 0 HB2 ASN A 49 8.701 8.150 -1.901 1.00 53.22 H new ATOM 0 HB3 ASN A 49 9.559 7.027 -2.937 1.00 53.22 H new ATOM 0 HD21 ASN A 49 7.026 9.266 -4.795 1.00 61.41 H new ATOM 0 HD22 ASN A 49 8.166 9.627 -3.495 1.00 61.41 H new ATOM 773 N GLU A 50 9.115 6.447 0.411 1.00 40.35 N ATOM 774 CA GLU A 50 9.998 6.107 1.533 1.00 21.33 C ATOM 775 C GLU A 50 9.645 4.733 2.116 1.00 60.03 C ATOM 776 O GLU A 50 10.519 3.903 2.351 1.00 35.32 O ATOM 777 CB GLU A 50 9.892 7.165 2.640 1.00 74.40 C ATOM 778 CG GLU A 50 10.293 8.571 2.212 1.00 31.54 C ATOM 779 CD GLU A 50 10.269 9.550 3.376 1.00 55.44 C ATOM 780 OE1 GLU A 50 9.209 10.154 3.638 1.00 74.20 O ATOM 781 OE2 GLU A 50 11.311 9.700 4.049 1.00 21.41 O ATOM 0 H GLU A 50 8.577 7.303 0.544 1.00 40.35 H new ATOM 0 HA GLU A 50 11.019 6.079 1.151 1.00 21.33 H new ATOM 0 HB2 GLU A 50 8.865 7.189 3.005 1.00 74.40 H new ATOM 0 HB3 GLU A 50 10.520 6.861 3.477 1.00 74.40 H new ATOM 0 HG2 GLU A 50 11.293 8.547 1.779 1.00 31.54 H new ATOM 0 HG3 GLU A 50 9.616 8.919 1.432 1.00 31.54 H new ATOM 788 N LEU A 51 8.354 4.508 2.336 1.00 53.15 N ATOM 789 CA LEU A 51 7.852 3.259 2.918 1.00 21.42 C ATOM 790 C LEU A 51 8.327 2.032 2.119 1.00 73.21 C ATOM 791 O LEU A 51 8.791 1.042 2.695 1.00 15.43 O ATOM 792 CB LEU A 51 6.314 3.309 2.967 1.00 13.23 C ATOM 793 CG LEU A 51 5.619 2.142 3.686 1.00 60.42 C ATOM 794 CD1 LEU A 51 6.055 2.065 5.149 1.00 1.42 C ATOM 795 CD2 LEU A 51 4.099 2.281 3.577 1.00 74.24 C ATOM 0 H LEU A 51 7.622 5.184 2.117 1.00 53.15 H new ATOM 0 HA LEU A 51 8.250 3.160 3.928 1.00 21.42 H new ATOM 0 HB2 LEU A 51 6.017 4.237 3.455 1.00 13.23 H new ATOM 0 HB3 LEU A 51 5.940 3.353 1.944 1.00 13.23 H new ATOM 0 HG LEU A 51 5.916 1.213 3.200 1.00 60.42 H new ATOM 0 HD11 LEU A 51 5.549 1.231 5.636 1.00 1.42 H new ATOM 0 HD12 LEU A 51 7.133 1.915 5.200 1.00 1.42 H new ATOM 0 HD13 LEU A 51 5.794 2.994 5.656 1.00 1.42 H new ATOM 0 HD21 LEU A 51 3.620 1.448 4.091 1.00 74.24 H new ATOM 0 HD22 LEU A 51 3.786 3.219 4.036 1.00 74.24 H new ATOM 0 HD23 LEU A 51 3.808 2.276 2.527 1.00 74.24 H new ATOM 807 N LEU A 52 8.226 2.116 0.790 1.00 22.13 N ATOM 808 CA LEU A 52 8.668 1.032 -0.099 1.00 22.31 C ATOM 809 C LEU A 52 10.192 0.830 -0.060 1.00 14.44 C ATOM 810 O LEU A 52 10.683 -0.278 -0.273 1.00 65.14 O ATOM 811 CB LEU A 52 8.231 1.311 -1.544 1.00 1.03 C ATOM 812 CG LEU A 52 6.714 1.295 -1.790 1.00 72.33 C ATOM 813 CD1 LEU A 52 6.401 1.581 -3.259 1.00 23.34 C ATOM 814 CD2 LEU A 52 6.119 -0.044 -1.361 1.00 62.30 C ATOM 0 H LEU A 52 7.841 2.925 0.302 1.00 22.13 H new ATOM 0 HA LEU A 52 8.197 0.118 0.262 1.00 22.31 H new ATOM 0 HB2 LEU A 52 8.620 2.285 -1.841 1.00 1.03 H new ATOM 0 HB3 LEU A 52 8.695 0.570 -2.195 1.00 1.03 H new ATOM 0 HG LEU A 52 6.259 2.082 -1.188 1.00 72.33 H new ATOM 0 HD11 LEU A 52 5.322 1.565 -3.411 1.00 23.34 H new ATOM 0 HD12 LEU A 52 6.791 2.562 -3.530 1.00 23.34 H new ATOM 0 HD13 LEU A 52 6.867 0.820 -3.885 1.00 23.34 H new ATOM 0 HD21 LEU A 52 5.044 -0.039 -1.542 1.00 62.30 H new ATOM 0 HD22 LEU A 52 6.580 -0.848 -1.935 1.00 62.30 H new ATOM 0 HD23 LEU A 52 6.308 -0.203 -0.299 1.00 62.30 H new ATOM 826 N ALA A 53 10.934 1.906 0.186 1.00 21.45 N ATOM 827 CA ALA A 53 12.401 1.842 0.230 1.00 40.25 C ATOM 828 C ALA A 53 12.923 1.377 1.600 1.00 72.12 C ATOM 829 O ALA A 53 13.922 0.658 1.689 1.00 33.21 O ATOM 830 CB ALA A 53 12.986 3.202 -0.127 1.00 54.24 C ATOM 0 H ALA A 53 10.549 2.835 0.358 1.00 21.45 H new ATOM 0 HA ALA A 53 12.722 1.101 -0.502 1.00 40.25 H new ATOM 0 HB1 ALA A 53 14.074 3.150 -0.093 1.00 54.24 H new ATOM 0 HB2 ALA A 53 12.667 3.483 -1.131 1.00 54.24 H new ATOM 0 HB3 ALA A 53 12.636 3.947 0.587 1.00 54.24 H new ATOM 836 N ARG A 54 12.234 1.784 2.664 1.00 4.24 N ATOM 837 CA ARG A 54 12.664 1.494 4.037 1.00 10.43 C ATOM 838 C ARG A 54 12.528 0.005 4.389 1.00 20.35 C ATOM 839 O ARG A 54 13.464 -0.604 4.911 1.00 42.23 O ATOM 840 CB ARG A 54 11.858 2.350 5.027 1.00 13.03 C ATOM 841 CG ARG A 54 12.135 3.848 4.906 1.00 24.11 C ATOM 842 CD ARG A 54 11.325 4.662 5.910 1.00 41.32 C ATOM 843 NE ARG A 54 11.500 6.103 5.715 1.00 74.43 N ATOM 844 CZ ARG A 54 11.255 7.004 6.632 1.00 51.22 C ATOM 845 NH1 ARG A 54 10.920 6.655 7.833 1.00 51.42 N ATOM 846 NH2 ARG A 54 11.370 8.258 6.355 1.00 42.23 N ATOM 0 H ARG A 54 11.368 2.320 2.604 1.00 4.24 H new ATOM 0 HA ARG A 54 13.722 1.745 4.110 1.00 10.43 H new ATOM 0 HB2 ARG A 54 10.795 2.171 4.867 1.00 13.03 H new ATOM 0 HB3 ARG A 54 12.086 2.028 6.043 1.00 13.03 H new ATOM 0 HG2 ARG A 54 13.198 4.034 5.062 1.00 24.11 H new ATOM 0 HG3 ARG A 54 11.898 4.180 3.895 1.00 24.11 H new ATOM 0 HD2 ARG A 54 10.269 4.409 5.815 1.00 41.32 H new ATOM 0 HD3 ARG A 54 11.627 4.394 6.922 1.00 41.32 H new ATOM 0 HE ARG A 54 11.834 6.425 4.807 1.00 74.43 H new ATOM 0 HH11 ARG A 54 10.844 5.667 8.075 1.00 51.42 H new ATOM 0 HH12 ARG A 54 10.732 7.368 8.538 1.00 51.42 H new ATOM 0 HH21 ARG A 54 11.652 8.550 5.419 1.00 42.23 H new ATOM 0 HH22 ARG A 54 11.178 8.958 7.072 1.00 42.23 H new ATOM 860 N TYR A 55 11.364 -0.581 4.116 1.00 73.03 N ATOM 861 CA TYR A 55 11.129 -2.000 4.418 1.00 24.54 C ATOM 862 C TYR A 55 11.644 -2.910 3.288 1.00 65.41 C ATOM 863 O TYR A 55 11.370 -2.665 2.114 1.00 25.40 O ATOM 864 CB TYR A 55 9.637 -2.254 4.668 1.00 64.51 C ATOM 865 CG TYR A 55 9.136 -1.678 5.977 1.00 22.14 C ATOM 866 CD1 TYR A 55 8.737 -0.349 6.072 1.00 63.41 C ATOM 867 CD2 TYR A 55 9.068 -2.467 7.120 1.00 74.15 C ATOM 868 CE1 TYR A 55 8.282 0.174 7.269 1.00 52.22 C ATOM 869 CE2 TYR A 55 8.613 -1.952 8.316 1.00 32.21 C ATOM 870 CZ TYR A 55 8.224 -0.633 8.388 1.00 52.21 C ATOM 871 OH TYR A 55 7.768 -0.120 9.583 1.00 72.41 O ATOM 0 H TYR A 55 10.571 -0.103 3.689 1.00 73.03 H new ATOM 0 HA TYR A 55 11.686 -2.243 5.323 1.00 24.54 H new ATOM 0 HB2 TYR A 55 9.061 -1.825 3.848 1.00 64.51 H new ATOM 0 HB3 TYR A 55 9.453 -3.328 4.659 1.00 64.51 H new ATOM 0 HD1 TYR A 55 8.783 0.284 5.198 1.00 63.41 H new ATOM 0 HD2 TYR A 55 9.377 -3.501 7.070 1.00 74.15 H new ATOM 0 HE1 TYR A 55 7.974 1.207 7.328 1.00 52.22 H new ATOM 0 HE2 TYR A 55 8.562 -2.581 9.193 1.00 32.21 H new ATOM 0 HH TYR A 55 7.790 -0.820 10.269 1.00 72.41 H new ATOM 881 N PRO A 56 12.390 -3.982 3.628 1.00 14.02 N ATOM 882 CA PRO A 56 12.957 -4.903 2.629 1.00 73.20 C ATOM 883 C PRO A 56 11.902 -5.844 2.017 1.00 43.43 C ATOM 884 O PRO A 56 11.679 -6.957 2.503 1.00 42.32 O ATOM 885 CB PRO A 56 13.997 -5.692 3.435 1.00 45.34 C ATOM 886 CG PRO A 56 13.463 -5.696 4.829 1.00 42.15 C ATOM 887 CD PRO A 56 12.743 -4.380 5.006 1.00 1.45 C ATOM 0 HA PRO A 56 13.373 -4.373 1.773 1.00 73.20 H new ATOM 0 HB2 PRO A 56 14.112 -6.706 3.051 1.00 45.34 H new ATOM 0 HB3 PRO A 56 14.978 -5.220 3.387 1.00 45.34 H new ATOM 0 HG2 PRO A 56 12.785 -6.535 4.984 1.00 42.15 H new ATOM 0 HG3 PRO A 56 14.269 -5.800 5.555 1.00 42.15 H new ATOM 0 HD2 PRO A 56 11.856 -4.490 5.630 1.00 1.45 H new ATOM 0 HD3 PRO A 56 13.380 -3.637 5.486 1.00 1.45 H new ATOM 895 N LEU A 57 11.249 -5.381 0.957 1.00 63.42 N ATOM 896 CA LEU A 57 10.198 -6.154 0.286 1.00 64.33 C ATOM 897 C LEU A 57 10.677 -6.681 -1.077 1.00 72.11 C ATOM 898 O LEU A 57 11.643 -6.167 -1.649 1.00 32.24 O ATOM 899 CB LEU A 57 8.955 -5.274 0.087 1.00 54.21 C ATOM 900 CG LEU A 57 8.347 -4.672 1.366 1.00 32.01 C ATOM 901 CD1 LEU A 57 7.187 -3.738 1.024 1.00 71.22 C ATOM 902 CD2 LEU A 57 7.883 -5.769 2.320 1.00 41.23 C ATOM 0 H LEU A 57 11.427 -4.468 0.538 1.00 63.42 H new ATOM 0 HA LEU A 57 9.951 -7.008 0.916 1.00 64.33 H new ATOM 0 HB2 LEU A 57 9.215 -4.458 -0.587 1.00 54.21 H new ATOM 0 HB3 LEU A 57 8.189 -5.868 -0.412 1.00 54.21 H new ATOM 0 HG LEU A 57 9.123 -4.092 1.865 1.00 32.01 H new ATOM 0 HD11 LEU A 57 6.771 -3.323 1.942 1.00 71.22 H new ATOM 0 HD12 LEU A 57 7.547 -2.928 0.390 1.00 71.22 H new ATOM 0 HD13 LEU A 57 6.414 -4.296 0.496 1.00 71.22 H new ATOM 0 HD21 LEU A 57 7.457 -5.316 3.216 1.00 41.23 H new ATOM 0 HD22 LEU A 57 7.127 -6.382 1.829 1.00 41.23 H new ATOM 0 HD23 LEU A 57 8.732 -6.393 2.598 1.00 41.23 H new ATOM 914 N THR A 58 10.012 -7.715 -1.585 1.00 62.21 N ATOM 915 CA THR A 58 10.285 -8.224 -2.939 1.00 74.22 C ATOM 916 C THR A 58 9.575 -7.359 -3.985 1.00 12.25 C ATOM 917 O THR A 58 8.588 -6.690 -3.674 1.00 45.10 O ATOM 918 CB THR A 58 9.807 -9.683 -3.118 1.00 33.45 C ATOM 919 OG1 THR A 58 8.374 -9.741 -3.060 1.00 23.22 O ATOM 920 CG2 THR A 58 10.406 -10.593 -2.049 1.00 72.40 C ATOM 0 H THR A 58 9.280 -8.221 -1.086 1.00 62.21 H new ATOM 0 HA THR A 58 11.366 -8.186 -3.076 1.00 74.22 H new ATOM 0 HB THR A 58 10.145 -10.033 -4.093 1.00 33.45 H new ATOM 0 HG1 THR A 58 8.079 -10.668 -3.176 1.00 23.22 H new ATOM 0 HG21 THR A 58 10.052 -11.613 -2.200 1.00 72.40 H new ATOM 0 HG22 THR A 58 11.493 -10.572 -2.121 1.00 72.40 H new ATOM 0 HG23 THR A 58 10.100 -10.245 -1.062 1.00 72.40 H new ATOM 928 N GLU A 59 10.058 -7.382 -5.229 1.00 62.03 N ATOM 929 CA GLU A 59 9.458 -6.577 -6.305 1.00 42.25 C ATOM 930 C GLU A 59 7.934 -6.785 -6.392 1.00 0.43 C ATOM 931 O GLU A 59 7.178 -5.839 -6.647 1.00 12.35 O ATOM 932 CB GLU A 59 10.118 -6.899 -7.656 1.00 24.23 C ATOM 933 CG GLU A 59 11.597 -6.528 -7.720 1.00 60.24 C ATOM 934 CD GLU A 59 12.199 -6.751 -9.097 1.00 51.35 C ATOM 935 OE1 GLU A 59 11.925 -5.941 -10.008 1.00 40.14 O ATOM 936 OE2 GLU A 59 12.949 -7.734 -9.281 1.00 62.24 O ATOM 0 H GLU A 59 10.858 -7.944 -5.519 1.00 62.03 H new ATOM 0 HA GLU A 59 9.637 -5.529 -6.065 1.00 42.25 H new ATOM 0 HB2 GLU A 59 10.011 -7.965 -7.858 1.00 24.23 H new ATOM 0 HB3 GLU A 59 9.585 -6.370 -8.446 1.00 24.23 H new ATOM 0 HG2 GLU A 59 11.717 -5.481 -7.441 1.00 60.24 H new ATOM 0 HG3 GLU A 59 12.147 -7.118 -6.988 1.00 60.24 H new ATOM 943 N SER A 60 7.491 -8.021 -6.167 1.00 54.52 N ATOM 944 CA SER A 60 6.057 -8.342 -6.131 1.00 14.11 C ATOM 945 C SER A 60 5.347 -7.616 -4.980 1.00 74.52 C ATOM 946 O SER A 60 4.239 -7.103 -5.148 1.00 42.10 O ATOM 947 CB SER A 60 5.839 -9.857 -5.991 1.00 32.42 C ATOM 948 OG SER A 60 6.306 -10.557 -7.134 1.00 24.33 O ATOM 0 H SER A 60 8.103 -8.821 -6.006 1.00 54.52 H new ATOM 0 HA SER A 60 5.628 -8.002 -7.074 1.00 14.11 H new ATOM 0 HB2 SER A 60 6.358 -10.220 -5.104 1.00 32.42 H new ATOM 0 HB3 SER A 60 4.778 -10.061 -5.846 1.00 32.42 H new ATOM 0 HG SER A 60 6.155 -11.518 -7.014 1.00 24.33 H new ATOM 954 N GLN A 61 5.989 -7.567 -3.811 1.00 64.12 N ATOM 955 CA GLN A 61 5.406 -6.898 -2.644 1.00 22.23 C ATOM 956 C GLN A 61 5.250 -5.385 -2.883 1.00 2.52 C ATOM 957 O GLN A 61 4.200 -4.815 -2.583 1.00 41.01 O ATOM 958 CB GLN A 61 6.250 -7.157 -1.387 1.00 51.12 C ATOM 959 CG GLN A 61 6.300 -8.626 -0.963 1.00 43.12 C ATOM 960 CD GLN A 61 7.093 -8.840 0.319 1.00 52.34 C ATOM 961 OE1 GLN A 61 8.304 -9.032 0.295 1.00 33.03 O ATOM 962 NE2 GLN A 61 6.413 -8.824 1.447 1.00 55.04 N ATOM 0 H GLN A 61 6.907 -7.980 -3.647 1.00 64.12 H new ATOM 0 HA GLN A 61 4.412 -7.318 -2.488 1.00 22.23 H new ATOM 0 HB2 GLN A 61 7.266 -6.806 -1.566 1.00 51.12 H new ATOM 0 HB3 GLN A 61 5.849 -6.565 -0.564 1.00 51.12 H new ATOM 0 HG2 GLN A 61 5.284 -8.994 -0.823 1.00 43.12 H new ATOM 0 HG3 GLN A 61 6.745 -9.216 -1.764 1.00 43.12 H new ATOM 0 HE21 GLN A 61 5.406 -8.662 1.433 1.00 55.04 H new ATOM 0 HE22 GLN A 61 6.893 -8.974 2.334 1.00 55.04 H new ATOM 971 N LEU A 62 6.284 -4.733 -3.430 1.00 62.10 N ATOM 972 CA LEU A 62 6.187 -3.302 -3.773 1.00 74.32 C ATOM 973 C LEU A 62 5.040 -3.052 -4.764 1.00 64.41 C ATOM 974 O LEU A 62 4.291 -2.081 -4.634 1.00 22.41 O ATOM 975 CB LEU A 62 7.502 -2.756 -4.365 1.00 43.23 C ATOM 976 CG LEU A 62 8.672 -2.579 -3.375 1.00 55.33 C ATOM 977 CD1 LEU A 62 9.321 -3.914 -3.048 1.00 13.41 C ATOM 978 CD2 LEU A 62 9.709 -1.603 -3.929 1.00 32.11 C ATOM 0 H LEU A 62 7.185 -5.162 -3.643 1.00 62.10 H new ATOM 0 HA LEU A 62 5.986 -2.772 -2.842 1.00 74.32 H new ATOM 0 HB2 LEU A 62 7.825 -3.428 -5.160 1.00 43.23 H new ATOM 0 HB3 LEU A 62 7.295 -1.791 -4.827 1.00 43.23 H new ATOM 0 HG LEU A 62 8.266 -2.165 -2.452 1.00 55.33 H new ATOM 0 HD11 LEU A 62 10.142 -3.758 -2.348 1.00 13.41 H new ATOM 0 HD12 LEU A 62 8.582 -4.577 -2.598 1.00 13.41 H new ATOM 0 HD13 LEU A 62 9.705 -4.366 -3.963 1.00 13.41 H new ATOM 0 HD21 LEU A 62 10.524 -1.494 -3.214 1.00 32.11 H new ATOM 0 HD22 LEU A 62 10.101 -1.985 -4.871 1.00 32.11 H new ATOM 0 HD23 LEU A 62 9.242 -0.633 -4.097 1.00 32.11 H new ATOM 990 N ALA A 63 4.909 -3.935 -5.756 1.00 3.42 N ATOM 991 CA ALA A 63 3.813 -3.854 -6.728 1.00 41.41 C ATOM 992 C ALA A 63 2.448 -3.985 -6.037 1.00 51.13 C ATOM 993 O ALA A 63 1.516 -3.227 -6.322 1.00 21.45 O ATOM 994 CB ALA A 63 3.975 -4.931 -7.796 1.00 11.15 C ATOM 0 H ALA A 63 5.548 -4.715 -5.909 1.00 3.42 H new ATOM 0 HA ALA A 63 3.854 -2.875 -7.205 1.00 41.41 H new ATOM 0 HB1 ALA A 63 3.156 -4.860 -8.511 1.00 11.15 H new ATOM 0 HB2 ALA A 63 4.923 -4.789 -8.315 1.00 11.15 H new ATOM 0 HB3 ALA A 63 3.962 -5.914 -7.326 1.00 11.15 H new ATOM 1000 N LEU A 64 2.344 -4.951 -5.124 1.00 31.11 N ATOM 1001 CA LEU A 64 1.124 -5.148 -4.333 1.00 33.14 C ATOM 1002 C LEU A 64 0.750 -3.870 -3.567 1.00 13.13 C ATOM 1003 O LEU A 64 -0.386 -3.410 -3.628 1.00 35.43 O ATOM 1004 CB LEU A 64 1.314 -6.303 -3.340 1.00 22.45 C ATOM 1005 CG LEU A 64 0.125 -6.564 -2.398 1.00 52.14 C ATOM 1006 CD1 LEU A 64 -1.094 -7.046 -3.179 1.00 70.12 C ATOM 1007 CD2 LEU A 64 0.503 -7.567 -1.311 1.00 31.02 C ATOM 0 H LEU A 64 3.091 -5.612 -4.912 1.00 31.11 H new ATOM 0 HA LEU A 64 0.315 -5.391 -5.022 1.00 33.14 H new ATOM 0 HB2 LEU A 64 1.517 -7.214 -3.903 1.00 22.45 H new ATOM 0 HB3 LEU A 64 2.197 -6.098 -2.735 1.00 22.45 H new ATOM 0 HG LEU A 64 -0.134 -5.622 -1.915 1.00 52.14 H new ATOM 0 HD11 LEU A 64 -1.920 -7.223 -2.491 1.00 70.12 H new ATOM 0 HD12 LEU A 64 -1.384 -6.287 -3.906 1.00 70.12 H new ATOM 0 HD13 LEU A 64 -0.850 -7.972 -3.699 1.00 70.12 H new ATOM 0 HD21 LEU A 64 -0.353 -7.735 -0.658 1.00 31.02 H new ATOM 0 HD22 LEU A 64 0.798 -8.509 -1.772 1.00 31.02 H new ATOM 0 HD23 LEU A 64 1.334 -7.173 -0.726 1.00 31.02 H new ATOM 1019 N VAL A 65 1.723 -3.307 -2.850 1.00 64.11 N ATOM 1020 CA VAL A 65 1.518 -2.067 -2.091 1.00 21.23 C ATOM 1021 C VAL A 65 1.019 -0.926 -2.994 1.00 72.20 C ATOM 1022 O VAL A 65 0.181 -0.115 -2.589 1.00 24.21 O ATOM 1023 CB VAL A 65 2.822 -1.635 -1.367 1.00 24.15 C ATOM 1024 CG1 VAL A 65 2.620 -0.339 -0.590 1.00 24.53 C ATOM 1025 CG2 VAL A 65 3.314 -2.743 -0.440 1.00 44.42 C ATOM 0 H VAL A 65 2.666 -3.690 -2.777 1.00 64.11 H new ATOM 0 HA VAL A 65 0.751 -2.272 -1.344 1.00 21.23 H new ATOM 0 HB VAL A 65 3.582 -1.455 -2.128 1.00 24.15 H new ATOM 0 HG11 VAL A 65 3.551 -0.063 -0.094 1.00 24.53 H new ATOM 0 HG12 VAL A 65 2.325 0.455 -1.277 1.00 24.53 H new ATOM 0 HG13 VAL A 65 1.839 -0.481 0.157 1.00 24.53 H new ATOM 0 HG21 VAL A 65 4.229 -2.421 0.058 1.00 44.42 H new ATOM 0 HG22 VAL A 65 2.550 -2.958 0.307 1.00 44.42 H new ATOM 0 HG23 VAL A 65 3.515 -3.642 -1.022 1.00 44.42 H new ATOM 1035 N ARG A 66 1.521 -0.871 -4.227 1.00 1.12 N ATOM 1036 CA ARG A 66 1.052 0.125 -5.196 1.00 71.41 C ATOM 1037 C ARG A 66 -0.402 -0.147 -5.616 1.00 14.24 C ATOM 1038 O ARG A 66 -1.184 0.787 -5.809 1.00 41.31 O ATOM 1039 CB ARG A 66 1.969 0.164 -6.426 1.00 63.41 C ATOM 1040 CG ARG A 66 3.390 0.623 -6.107 1.00 31.21 C ATOM 1041 CD ARG A 66 4.226 0.827 -7.368 1.00 32.43 C ATOM 1042 NE ARG A 66 5.592 1.263 -7.061 1.00 70.23 N ATOM 1043 CZ ARG A 66 6.059 2.468 -7.283 1.00 34.53 C ATOM 1044 NH1 ARG A 66 5.329 3.366 -7.861 1.00 4.21 N ATOM 1045 NH2 ARG A 66 7.271 2.765 -6.949 1.00 24.11 N ATOM 0 H ARG A 66 2.246 -1.497 -4.579 1.00 1.12 H new ATOM 0 HA ARG A 66 1.085 1.100 -4.710 1.00 71.41 H new ATOM 0 HB2 ARG A 66 2.007 -0.829 -6.873 1.00 63.41 H new ATOM 0 HB3 ARG A 66 1.538 0.833 -7.171 1.00 63.41 H new ATOM 0 HG2 ARG A 66 3.351 1.555 -5.544 1.00 31.21 H new ATOM 0 HG3 ARG A 66 3.874 -0.115 -5.468 1.00 31.21 H new ATOM 0 HD2 ARG A 66 4.262 -0.104 -7.933 1.00 32.43 H new ATOM 0 HD3 ARG A 66 3.744 1.568 -8.006 1.00 32.43 H new ATOM 0 HE ARG A 66 6.225 0.580 -6.645 1.00 70.23 H new ATOM 0 HH11 ARG A 66 4.377 3.141 -8.150 1.00 4.21 H new ATOM 0 HH12 ARG A 66 5.705 4.299 -8.027 1.00 4.21 H new ATOM 0 HH21 ARG A 66 7.866 2.062 -6.512 1.00 24.11 H new ATOM 0 HH22 ARG A 66 7.633 3.703 -7.122 1.00 24.11 H new ATOM 1059 N ASP A 67 -0.765 -1.427 -5.745 1.00 21.13 N ATOM 1060 CA ASP A 67 -2.150 -1.809 -6.050 1.00 54.34 C ATOM 1061 C ASP A 67 -3.078 -1.443 -4.879 1.00 2.43 C ATOM 1062 O ASP A 67 -4.177 -0.924 -5.082 1.00 4.41 O ATOM 1063 CB ASP A 67 -2.242 -3.311 -6.360 1.00 55.42 C ATOM 1064 CG ASP A 67 -3.639 -3.733 -6.795 1.00 4.33 C ATOM 1065 OD1 ASP A 67 -4.095 -3.278 -7.867 1.00 65.02 O ATOM 1066 OD2 ASP A 67 -4.292 -4.513 -6.069 1.00 61.40 O ATOM 0 H ASP A 67 -0.124 -2.214 -5.644 1.00 21.13 H new ATOM 0 HA ASP A 67 -2.472 -1.257 -6.933 1.00 54.34 H new ATOM 0 HB2 ASP A 67 -1.529 -3.561 -7.146 1.00 55.42 H new ATOM 0 HB3 ASP A 67 -1.953 -3.879 -5.476 1.00 55.42 H new ATOM 1071 N ILE A 68 -2.613 -1.704 -3.656 1.00 43.51 N ATOM 1072 CA ILE A 68 -3.343 -1.327 -2.439 1.00 34.45 C ATOM 1073 C ILE A 68 -3.618 0.184 -2.407 1.00 74.34 C ATOM 1074 O ILE A 68 -4.733 0.621 -2.126 1.00 13.24 O ATOM 1075 CB ILE A 68 -2.554 -1.732 -1.163 1.00 73.22 C ATOM 1076 CG1 ILE A 68 -2.361 -3.259 -1.117 1.00 44.40 C ATOM 1077 CG2 ILE A 68 -3.262 -1.232 0.099 1.00 10.13 C ATOM 1078 CD1 ILE A 68 -1.542 -3.747 0.062 1.00 14.24 C ATOM 0 H ILE A 68 -1.728 -2.179 -3.479 1.00 43.51 H new ATOM 0 HA ILE A 68 -4.292 -1.863 -2.454 1.00 34.45 H new ATOM 0 HB ILE A 68 -1.571 -1.262 -1.201 1.00 73.22 H new ATOM 0 HG12 ILE A 68 -3.340 -3.737 -1.087 1.00 44.40 H new ATOM 0 HG13 ILE A 68 -1.877 -3.581 -2.039 1.00 44.40 H new ATOM 0 HG21 ILE A 68 -2.690 -1.528 0.978 1.00 10.13 H new ATOM 0 HG22 ILE A 68 -3.340 -0.145 0.066 1.00 10.13 H new ATOM 0 HG23 ILE A 68 -4.260 -1.666 0.152 1.00 10.13 H new ATOM 0 HD11 ILE A 68 -1.454 -4.833 0.019 1.00 14.24 H new ATOM 0 HD12 ILE A 68 -0.548 -3.300 0.024 1.00 14.24 H new ATOM 0 HD13 ILE A 68 -2.034 -3.459 0.991 1.00 14.24 H new ATOM 1090 N ARG A 69 -2.589 0.977 -2.705 1.00 11.22 N ATOM 1091 CA ARG A 69 -2.728 2.436 -2.797 1.00 51.43 C ATOM 1092 C ARG A 69 -3.760 2.835 -3.869 1.00 14.52 C ATOM 1093 O ARG A 69 -4.612 3.697 -3.644 1.00 5.43 O ATOM 1094 CB ARG A 69 -1.366 3.067 -3.129 1.00 62.51 C ATOM 1095 CG ARG A 69 -1.391 4.591 -3.253 1.00 22.43 C ATOM 1096 CD ARG A 69 -0.040 5.136 -3.709 1.00 61.33 C ATOM 1097 NE ARG A 69 -0.042 6.594 -3.851 1.00 74.52 N ATOM 1098 CZ ARG A 69 0.617 7.245 -4.775 1.00 0.23 C ATOM 1099 NH1 ARG A 69 1.334 6.612 -5.647 1.00 33.14 N ATOM 1100 NH2 ARG A 69 0.566 8.537 -4.826 1.00 62.23 N ATOM 0 H ARG A 69 -1.646 0.635 -2.888 1.00 11.22 H new ATOM 0 HA ARG A 69 -3.081 2.804 -1.833 1.00 51.43 H new ATOM 0 HB2 ARG A 69 -0.652 2.789 -2.354 1.00 62.51 H new ATOM 0 HB3 ARG A 69 -1.001 2.644 -4.065 1.00 62.51 H new ATOM 0 HG2 ARG A 69 -2.163 4.887 -3.964 1.00 22.43 H new ATOM 0 HG3 ARG A 69 -1.657 5.031 -2.292 1.00 22.43 H new ATOM 0 HD2 ARG A 69 0.727 4.845 -2.991 1.00 61.33 H new ATOM 0 HD3 ARG A 69 0.228 4.682 -4.663 1.00 61.33 H new ATOM 0 HE ARG A 69 -0.593 7.137 -3.186 1.00 74.52 H new ATOM 0 HH11 ARG A 69 1.390 5.594 -5.619 1.00 33.14 H new ATOM 0 HH12 ARG A 69 1.843 7.131 -6.362 1.00 33.14 H new ATOM 0 HH21 ARG A 69 0.010 9.053 -4.144 1.00 62.23 H new ATOM 0 HH22 ARG A 69 1.082 9.040 -5.548 1.00 62.23 H new ATOM 1114 N ARG A 70 -3.675 2.193 -5.033 1.00 41.35 N ATOM 1115 CA ARG A 70 -4.564 2.488 -6.162 1.00 11.11 C ATOM 1116 C ARG A 70 -6.036 2.162 -5.840 1.00 13.32 C ATOM 1117 O ARG A 70 -6.929 2.980 -6.078 1.00 5.31 O ATOM 1118 CB ARG A 70 -4.106 1.703 -7.402 1.00 11.42 C ATOM 1119 CG ARG A 70 -4.915 1.977 -8.668 1.00 4.23 C ATOM 1120 CD ARG A 70 -4.866 3.447 -9.077 1.00 24.25 C ATOM 1121 NE ARG A 70 -5.528 3.680 -10.360 1.00 74.23 N ATOM 1122 CZ ARG A 70 -6.794 3.974 -10.498 1.00 52.32 C ATOM 1123 NH1 ARG A 70 -7.570 4.045 -9.462 1.00 54.52 N ATOM 1124 NH2 ARG A 70 -7.285 4.192 -11.673 1.00 3.20 N ATOM 0 H ARG A 70 -2.994 1.458 -5.222 1.00 41.35 H new ATOM 0 HA ARG A 70 -4.505 3.558 -6.361 1.00 11.11 H new ATOM 0 HB2 ARG A 70 -3.060 1.939 -7.598 1.00 11.42 H new ATOM 0 HB3 ARG A 70 -4.156 0.637 -7.179 1.00 11.42 H new ATOM 0 HG2 ARG A 70 -4.532 1.362 -9.482 1.00 4.23 H new ATOM 0 HG3 ARG A 70 -5.951 1.681 -8.506 1.00 4.23 H new ATOM 0 HD2 ARG A 70 -5.343 4.054 -8.307 1.00 24.25 H new ATOM 0 HD3 ARG A 70 -3.827 3.771 -9.141 1.00 24.25 H new ATOM 0 HE ARG A 70 -4.963 3.608 -11.206 1.00 74.23 H new ATOM 0 HH11 ARG A 70 -7.194 3.871 -8.530 1.00 54.52 H new ATOM 0 HH12 ARG A 70 -8.557 4.275 -9.579 1.00 54.52 H new ATOM 0 HH21 ARG A 70 -6.684 4.135 -12.495 1.00 3.20 H new ATOM 0 HH22 ARG A 70 -8.273 4.421 -11.778 1.00 3.20 H new ATOM 1138 N ARG A 71 -6.286 0.968 -5.304 1.00 11.32 N ATOM 1139 CA ARG A 71 -7.652 0.545 -4.964 1.00 71.55 C ATOM 1140 C ARG A 71 -8.146 1.204 -3.668 1.00 34.04 C ATOM 1141 O ARG A 71 -9.341 1.445 -3.498 1.00 32.13 O ATOM 1142 CB ARG A 71 -7.728 -0.988 -4.845 1.00 1.21 C ATOM 1143 CG ARG A 71 -6.917 -1.573 -3.689 1.00 13.25 C ATOM 1144 CD ARG A 71 -6.910 -3.099 -3.720 1.00 31.32 C ATOM 1145 NE ARG A 71 -6.207 -3.677 -2.575 1.00 73.12 N ATOM 1146 CZ ARG A 71 -5.525 -4.788 -2.615 1.00 14.44 C ATOM 1147 NH1 ARG A 71 -5.327 -5.398 -3.737 1.00 53.52 N ATOM 1148 NH2 ARG A 71 -5.004 -5.256 -1.532 1.00 64.14 N ATOM 0 H ARG A 71 -5.566 0.276 -5.095 1.00 11.32 H new ATOM 0 HA ARG A 71 -8.306 0.872 -5.772 1.00 71.55 H new ATOM 0 HB2 ARG A 71 -8.771 -1.280 -4.725 1.00 1.21 H new ATOM 0 HB3 ARG A 71 -7.379 -1.430 -5.778 1.00 1.21 H new ATOM 0 HG2 ARG A 71 -5.893 -1.203 -3.739 1.00 13.25 H new ATOM 0 HG3 ARG A 71 -7.334 -1.230 -2.742 1.00 13.25 H new ATOM 0 HD2 ARG A 71 -7.937 -3.464 -3.734 1.00 31.32 H new ATOM 0 HD3 ARG A 71 -6.438 -3.439 -4.642 1.00 31.32 H new ATOM 0 HE ARG A 71 -6.253 -3.178 -1.686 1.00 73.12 H new ATOM 0 HH11 ARG A 71 -5.705 -5.011 -4.602 1.00 53.52 H new ATOM 0 HH12 ARG A 71 -4.792 -6.266 -3.758 1.00 53.52 H new ATOM 0 HH21 ARG A 71 -5.126 -4.758 -0.650 1.00 64.14 H new ATOM 0 HH22 ARG A 71 -4.470 -6.124 -1.557 1.00 64.14 H new ATOM 1162 N GLY A 72 -7.220 1.495 -2.759 1.00 25.10 N ATOM 1163 CA GLY A 72 -7.571 2.161 -1.511 1.00 64.01 C ATOM 1164 C GLY A 72 -8.000 3.610 -1.715 1.00 22.32 C ATOM 1165 O GLY A 72 -9.036 4.038 -1.209 1.00 72.01 O ATOM 0 H GLY A 72 -6.228 1.282 -2.863 1.00 25.10 H new ATOM 0 HA2 GLY A 72 -8.379 1.612 -1.026 1.00 64.01 H new ATOM 0 HA3 GLY A 72 -6.716 2.132 -0.836 1.00 64.01 H new ATOM 1169 N LYS A 73 -7.206 4.371 -2.472 1.00 40.00 N ATOM 1170 CA LYS A 73 -7.547 5.761 -2.787 1.00 61.22 C ATOM 1171 C LYS A 73 -8.794 5.819 -3.693 1.00 25.01 C ATOM 1172 O LYS A 73 -9.536 6.804 -3.688 1.00 23.13 O ATOM 1173 CB LYS A 73 -6.352 6.472 -3.450 1.00 51.24 C ATOM 1174 CG LYS A 73 -6.554 7.974 -3.658 1.00 24.04 C ATOM 1175 CD LYS A 73 -6.812 8.711 -2.340 1.00 73.52 C ATOM 1176 CE LYS A 73 -5.618 8.645 -1.387 1.00 30.42 C ATOM 1177 NZ LYS A 73 -4.418 9.319 -1.945 1.00 64.44 N ATOM 0 H LYS A 73 -6.326 4.050 -2.877 1.00 40.00 H new ATOM 0 HA LYS A 73 -7.779 6.281 -1.858 1.00 61.22 H new ATOM 0 HB2 LYS A 73 -5.465 6.318 -2.836 1.00 51.24 H new ATOM 0 HB3 LYS A 73 -6.156 6.006 -4.416 1.00 51.24 H new ATOM 0 HG2 LYS A 73 -5.672 8.394 -4.141 1.00 24.04 H new ATOM 0 HG3 LYS A 73 -7.394 8.136 -4.333 1.00 24.04 H new ATOM 0 HD2 LYS A 73 -7.047 9.754 -2.551 1.00 73.52 H new ATOM 0 HD3 LYS A 73 -7.686 8.280 -1.852 1.00 73.52 H new ATOM 0 HE2 LYS A 73 -5.886 9.110 -0.438 1.00 30.42 H new ATOM 0 HE3 LYS A 73 -5.382 7.602 -1.175 1.00 30.42 H new ATOM 0 HZ1 LYS A 73 -3.684 9.384 -1.211 1.00 64.44 H new ATOM 0 HZ2 LYS A 73 -4.055 8.770 -2.750 1.00 64.44 H new ATOM 0 HZ3 LYS A 73 -4.674 10.275 -2.265 1.00 64.44 H new ATOM 1191 N ASN A 74 -9.026 4.744 -4.452 1.00 3.31 N ATOM 1192 CA ASN A 74 -10.241 4.606 -5.271 1.00 33.02 C ATOM 1193 C ASN A 74 -11.509 4.790 -4.415 1.00 32.43 C ATOM 1194 O ASN A 74 -12.530 5.290 -4.892 1.00 35.42 O ATOM 1195 CB ASN A 74 -10.258 3.230 -5.952 1.00 61.02 C ATOM 1196 CG ASN A 74 -11.471 3.014 -6.841 1.00 40.32 C ATOM 1197 OD1 ASN A 74 -11.986 3.941 -7.458 1.00 5.43 O ATOM 1198 ND2 ASN A 74 -11.940 1.784 -6.908 1.00 71.22 N ATOM 0 H ASN A 74 -8.387 3.952 -4.518 1.00 3.31 H new ATOM 0 HA ASN A 74 -10.231 5.385 -6.033 1.00 33.02 H new ATOM 0 HB2 ASN A 74 -9.354 3.117 -6.550 1.00 61.02 H new ATOM 0 HB3 ASN A 74 -10.234 2.454 -5.187 1.00 61.02 H new ATOM 0 HD21 ASN A 74 -12.755 1.580 -7.486 1.00 71.22 H new ATOM 0 HD22 ASN A 74 -11.488 1.036 -6.382 1.00 71.22 H new ATOM 1205 N LYS A 75 -11.426 4.387 -3.146 1.00 74.34 N ATOM 1206 CA LYS A 75 -12.515 4.582 -2.179 1.00 14.23 C ATOM 1207 C LYS A 75 -12.902 6.072 -2.071 1.00 35.51 C ATOM 1208 O LYS A 75 -14.084 6.420 -1.992 1.00 21.01 O ATOM 1209 CB LYS A 75 -12.075 4.055 -0.804 1.00 3.25 C ATOM 1210 CG LYS A 75 -13.137 4.161 0.287 1.00 75.10 C ATOM 1211 CD LYS A 75 -14.351 3.287 -0.012 1.00 24.24 C ATOM 1212 CE LYS A 75 -15.361 3.323 1.127 1.00 75.31 C ATOM 1213 NZ LYS A 75 -16.546 2.480 0.839 1.00 63.00 N ATOM 0 H LYS A 75 -10.607 3.918 -2.758 1.00 74.34 H new ATOM 0 HA LYS A 75 -13.389 4.030 -2.524 1.00 14.23 H new ATOM 0 HB2 LYS A 75 -11.782 3.010 -0.907 1.00 3.25 H new ATOM 0 HB3 LYS A 75 -11.189 4.605 -0.485 1.00 3.25 H new ATOM 0 HG2 LYS A 75 -12.705 3.867 1.244 1.00 75.10 H new ATOM 0 HG3 LYS A 75 -13.453 5.199 0.386 1.00 75.10 H new ATOM 0 HD2 LYS A 75 -14.827 3.626 -0.932 1.00 24.24 H new ATOM 0 HD3 LYS A 75 -14.028 2.260 -0.180 1.00 24.24 H new ATOM 0 HE2 LYS A 75 -14.885 2.980 2.046 1.00 75.31 H new ATOM 0 HE3 LYS A 75 -15.679 4.351 1.298 1.00 75.31 H new ATOM 0 HZ1 LYS A 75 -17.210 2.531 1.638 1.00 63.00 H new ATOM 0 HZ2 LYS A 75 -17.015 2.823 -0.024 1.00 63.00 H new ATOM 0 HZ3 LYS A 75 -16.245 1.494 0.701 1.00 63.00 H new ATOM 1227 N VAL A 76 -11.890 6.939 -2.082 1.00 51.11 N ATOM 1228 CA VAL A 76 -12.091 8.392 -1.959 1.00 64.33 C ATOM 1229 C VAL A 76 -12.243 9.066 -3.338 1.00 74.32 C ATOM 1230 O VAL A 76 -12.763 10.178 -3.440 1.00 43.14 O ATOM 1231 CB VAL A 76 -10.904 9.042 -1.197 1.00 72.53 C ATOM 1232 CG1 VAL A 76 -11.108 10.549 -1.023 1.00 2.14 C ATOM 1233 CG2 VAL A 76 -10.699 8.360 0.157 1.00 60.21 C ATOM 0 H VAL A 76 -10.913 6.662 -2.175 1.00 51.11 H new ATOM 0 HA VAL A 76 -13.014 8.543 -1.399 1.00 64.33 H new ATOM 0 HB VAL A 76 -10.004 8.900 -1.796 1.00 72.53 H new ATOM 0 HG11 VAL A 76 -10.259 10.971 -0.486 1.00 2.14 H new ATOM 0 HG12 VAL A 76 -11.189 11.021 -2.002 1.00 2.14 H new ATOM 0 HG13 VAL A 76 -12.022 10.729 -0.457 1.00 2.14 H new ATOM 0 HG21 VAL A 76 -9.863 8.828 0.677 1.00 60.21 H new ATOM 0 HG22 VAL A 76 -11.603 8.463 0.757 1.00 60.21 H new ATOM 0 HG23 VAL A 76 -10.484 7.303 0.003 1.00 60.21 H new ATOM 1243 N ALA A 77 -11.810 8.372 -4.392 1.00 21.31 N ATOM 1244 CA ALA A 77 -11.781 8.921 -5.762 1.00 3.10 C ATOM 1245 C ALA A 77 -13.068 9.679 -6.147 1.00 25.54 C ATOM 1246 O ALA A 77 -13.002 10.781 -6.696 1.00 4.01 O ATOM 1247 CB ALA A 77 -11.517 7.802 -6.764 1.00 53.34 C ATOM 0 H ALA A 77 -11.468 7.413 -4.327 1.00 21.31 H new ATOM 0 HA ALA A 77 -10.972 9.651 -5.787 1.00 3.10 H new ATOM 0 HB1 ALA A 77 -11.497 8.214 -7.773 1.00 53.34 H new ATOM 0 HB2 ALA A 77 -10.557 7.335 -6.544 1.00 53.34 H new ATOM 0 HB3 ALA A 77 -12.308 7.056 -6.693 1.00 53.34 H new ATOM 1253 N ALA A 78 -14.231 9.090 -5.859 1.00 1.45 N ATOM 1254 CA ALA A 78 -15.522 9.724 -6.170 1.00 62.43 C ATOM 1255 C ALA A 78 -15.682 11.086 -5.470 1.00 44.20 C ATOM 1256 O ALA A 78 -16.220 12.036 -6.047 1.00 24.34 O ATOM 1257 CB ALA A 78 -16.670 8.801 -5.782 1.00 62.42 C ATOM 0 H ALA A 78 -14.309 8.177 -5.412 1.00 1.45 H new ATOM 0 HA ALA A 78 -15.545 9.902 -7.245 1.00 62.43 H new ATOM 0 HB1 ALA A 78 -17.619 9.282 -6.017 1.00 62.42 H new ATOM 0 HB2 ALA A 78 -16.589 7.867 -6.337 1.00 62.42 H new ATOM 0 HB3 ALA A 78 -16.624 8.593 -4.713 1.00 62.42 H new ATOM 1263 N GLN A 79 -15.206 11.174 -4.230 1.00 54.05 N ATOM 1264 CA GLN A 79 -15.307 12.410 -3.441 1.00 13.43 C ATOM 1265 C GLN A 79 -14.194 13.406 -3.810 1.00 12.34 C ATOM 1266 O GLN A 79 -14.393 14.621 -3.769 1.00 3.32 O ATOM 1267 CB GLN A 79 -15.247 12.089 -1.942 1.00 11.15 C ATOM 1268 CG GLN A 79 -16.268 11.047 -1.488 1.00 1.30 C ATOM 1269 CD GLN A 79 -17.699 11.429 -1.836 1.00 61.23 C ATOM 1270 OE1 GLN A 79 -18.204 11.089 -2.902 1.00 63.24 O ATOM 1271 NE2 GLN A 79 -18.367 12.136 -0.948 1.00 75.02 N ATOM 0 H GLN A 79 -14.745 10.405 -3.745 1.00 54.05 H new ATOM 0 HA GLN A 79 -16.266 12.874 -3.672 1.00 13.43 H new ATOM 0 HB2 GLN A 79 -14.246 11.733 -1.697 1.00 11.15 H new ATOM 0 HB3 GLN A 79 -15.405 13.008 -1.378 1.00 11.15 H new ATOM 0 HG2 GLN A 79 -16.031 10.088 -1.949 1.00 1.30 H new ATOM 0 HG3 GLN A 79 -16.186 10.911 -0.410 1.00 1.30 H new ATOM 0 HE21 GLN A 79 -17.922 12.404 -0.070 1.00 75.02 H new ATOM 0 HE22 GLN A 79 -19.330 12.415 -1.138 1.00 75.02 H new ATOM 1280 N ASN A 80 -13.025 12.879 -4.164 1.00 74.24 N ATOM 1281 CA ASN A 80 -11.885 13.705 -4.582 1.00 44.44 C ATOM 1282 C ASN A 80 -12.076 14.224 -6.021 1.00 31.04 C ATOM 1283 O ASN A 80 -11.425 15.182 -6.442 1.00 23.33 O ATOM 1284 CB ASN A 80 -10.590 12.887 -4.461 1.00 12.32 C ATOM 1285 CG ASN A 80 -9.351 13.672 -4.857 1.00 60.11 C ATOM 1286 OD1 ASN A 80 -8.760 14.379 -4.047 1.00 44.21 O ATOM 1287 ND2 ASN A 80 -8.943 13.547 -6.102 1.00 54.31 N ATOM 0 H ASN A 80 -12.837 11.876 -4.171 1.00 74.24 H new ATOM 0 HA ASN A 80 -11.819 14.575 -3.928 1.00 44.44 H new ATOM 0 HB2 ASN A 80 -10.481 12.541 -3.433 1.00 12.32 H new ATOM 0 HB3 ASN A 80 -10.667 12.000 -5.090 1.00 12.32 H new ATOM 0 HD21 ASN A 80 -8.112 14.046 -6.419 1.00 54.31 H new ATOM 0 HD22 ASN A 80 -9.458 12.951 -6.750 1.00 54.31 H new ATOM 1294 N TYR A 81 -12.980 13.584 -6.765 1.00 12.11 N ATOM 1295 CA TYR A 81 -13.298 13.984 -8.142 1.00 15.41 C ATOM 1296 C TYR A 81 -13.808 15.440 -8.199 1.00 44.40 C ATOM 1297 O TYR A 81 -14.293 15.972 -7.197 1.00 11.15 O ATOM 1298 CB TYR A 81 -14.354 13.023 -8.714 1.00 23.24 C ATOM 1299 CG TYR A 81 -14.497 13.075 -10.223 1.00 12.31 C ATOM 1300 CD1 TYR A 81 -13.580 12.430 -11.046 1.00 42.30 C ATOM 1301 CD2 TYR A 81 -15.546 13.761 -10.825 1.00 50.12 C ATOM 1302 CE1 TYR A 81 -13.705 12.464 -12.420 1.00 53.55 C ATOM 1303 CE2 TYR A 81 -15.678 13.801 -12.200 1.00 0.44 C ATOM 1304 CZ TYR A 81 -14.754 13.151 -12.992 1.00 1.42 C ATOM 1305 OH TYR A 81 -14.877 13.186 -14.365 1.00 51.43 O ATOM 0 H TYR A 81 -13.511 12.778 -6.435 1.00 12.11 H new ATOM 0 HA TYR A 81 -12.390 13.932 -8.742 1.00 15.41 H new ATOM 0 HB2 TYR A 81 -14.098 12.005 -8.420 1.00 23.24 H new ATOM 0 HB3 TYR A 81 -15.319 13.252 -8.262 1.00 23.24 H new ATOM 0 HD1 TYR A 81 -12.755 11.893 -10.602 1.00 42.30 H new ATOM 0 HD2 TYR A 81 -16.270 14.271 -10.207 1.00 50.12 H new ATOM 0 HE1 TYR A 81 -12.985 11.955 -13.044 1.00 53.55 H new ATOM 0 HE2 TYR A 81 -16.499 14.338 -12.652 1.00 0.44 H new ATOM 0 HH TYR A 81 -15.669 13.710 -14.609 1.00 51.43 H new ATOM 1315 N ARG A 82 -13.695 16.073 -9.374 1.00 21.42 N ATOM 1316 CA ARG A 82 -14.100 17.481 -9.568 1.00 42.50 C ATOM 1317 C ARG A 82 -13.128 18.461 -8.891 1.00 2.25 C ATOM 1318 O ARG A 82 -13.463 19.625 -8.654 1.00 34.01 O ATOM 1319 CB ARG A 82 -15.542 17.726 -9.079 1.00 3.12 C ATOM 1320 CG ARG A 82 -16.609 17.116 -9.978 1.00 30.22 C ATOM 1321 CD ARG A 82 -16.601 17.751 -11.365 1.00 10.31 C ATOM 1322 NE ARG A 82 -17.649 17.203 -12.225 1.00 53.42 N ATOM 1323 CZ ARG A 82 -18.135 17.813 -13.270 1.00 53.13 C ATOM 1324 NH1 ARG A 82 -17.672 18.968 -13.635 1.00 42.22 N ATOM 1325 NH2 ARG A 82 -19.079 17.258 -13.960 1.00 5.34 N ATOM 0 H ARG A 82 -13.323 15.631 -10.215 1.00 21.42 H new ATOM 0 HA ARG A 82 -14.065 17.670 -10.641 1.00 42.50 H new ATOM 0 HB2 ARG A 82 -15.649 17.317 -8.075 1.00 3.12 H new ATOM 0 HB3 ARG A 82 -15.713 18.800 -9.005 1.00 3.12 H new ATOM 0 HG2 ARG A 82 -16.441 16.043 -10.067 1.00 30.22 H new ATOM 0 HG3 ARG A 82 -17.590 17.248 -9.522 1.00 30.22 H new ATOM 0 HD2 ARG A 82 -16.736 18.829 -11.271 1.00 10.31 H new ATOM 0 HD3 ARG A 82 -15.629 17.591 -11.831 1.00 10.31 H new ATOM 0 HE ARG A 82 -18.024 16.284 -11.992 1.00 53.42 H new ATOM 0 HH11 ARG A 82 -16.921 19.408 -13.103 1.00 42.22 H new ATOM 0 HH12 ARG A 82 -18.059 19.437 -14.454 1.00 42.22 H new ATOM 0 HH21 ARG A 82 -19.442 16.345 -13.686 1.00 5.34 H new ATOM 0 HH22 ARG A 82 -19.460 17.734 -14.778 1.00 5.34 H new ATOM 1339 N LYS A 83 -11.916 17.994 -8.608 1.00 43.14 N ATOM 1340 CA LYS A 83 -10.856 18.855 -8.078 1.00 41.12 C ATOM 1341 C LYS A 83 -9.974 19.381 -9.228 1.00 71.54 C ATOM 1342 O LYS A 83 -9.397 18.599 -9.989 1.00 53.14 O ATOM 1343 CB LYS A 83 -10.013 18.083 -7.048 1.00 54.24 C ATOM 1344 CG LYS A 83 -8.957 18.933 -6.347 1.00 3.33 C ATOM 1345 CD LYS A 83 -8.291 18.181 -5.193 1.00 61.12 C ATOM 1346 CE LYS A 83 -7.502 16.968 -5.671 1.00 50.43 C ATOM 1347 NZ LYS A 83 -6.918 16.206 -4.532 1.00 13.42 N ATOM 0 H LYS A 83 -11.640 17.021 -8.736 1.00 43.14 H new ATOM 0 HA LYS A 83 -11.309 19.710 -7.577 1.00 41.12 H new ATOM 0 HB2 LYS A 83 -10.678 17.656 -6.297 1.00 54.24 H new ATOM 0 HB3 LYS A 83 -9.520 17.250 -7.549 1.00 54.24 H new ATOM 0 HG2 LYS A 83 -8.198 19.236 -7.068 1.00 3.33 H new ATOM 0 HG3 LYS A 83 -9.418 19.845 -5.968 1.00 3.33 H new ATOM 0 HD2 LYS A 83 -7.624 18.858 -4.658 1.00 61.12 H new ATOM 0 HD3 LYS A 83 -9.054 17.859 -4.484 1.00 61.12 H new ATOM 0 HE2 LYS A 83 -8.155 16.314 -6.249 1.00 50.43 H new ATOM 0 HE3 LYS A 83 -6.704 17.293 -6.338 1.00 50.43 H new ATOM 0 HZ1 LYS A 83 -6.063 15.707 -4.850 1.00 13.42 H new ATOM 0 HZ2 LYS A 83 -6.670 16.863 -3.765 1.00 13.42 H new ATOM 0 HZ3 LYS A 83 -7.613 15.515 -4.184 1.00 13.42 H new ATOM 1361 N ARG A 84 -9.899 20.703 -9.368 1.00 52.11 N ATOM 1362 CA ARG A 84 -9.161 21.334 -10.472 1.00 71.14 C ATOM 1363 C ARG A 84 -7.738 21.753 -10.064 1.00 21.52 C ATOM 1364 O ARG A 84 -7.372 21.715 -8.887 1.00 50.32 O ATOM 1365 CB ARG A 84 -9.922 22.570 -10.972 1.00 63.52 C ATOM 1366 CG ARG A 84 -11.242 22.259 -11.672 1.00 32.13 C ATOM 1367 CD ARG A 84 -11.969 23.537 -12.075 1.00 54.02 C ATOM 1368 NE ARG A 84 -13.112 23.277 -12.950 1.00 55.22 N ATOM 1369 CZ ARG A 84 -14.288 23.827 -12.805 1.00 75.10 C ATOM 1370 NH1 ARG A 84 -14.534 24.599 -11.795 1.00 72.41 N ATOM 1371 NH2 ARG A 84 -15.221 23.599 -13.669 1.00 0.32 N ATOM 0 H ARG A 84 -10.341 21.365 -8.730 1.00 52.11 H new ATOM 0 HA ARG A 84 -9.078 20.590 -11.264 1.00 71.14 H new ATOM 0 HB2 ARG A 84 -10.120 23.227 -10.125 1.00 63.52 H new ATOM 0 HB3 ARG A 84 -9.282 23.122 -11.660 1.00 63.52 H new ATOM 0 HG2 ARG A 84 -11.053 21.651 -12.557 1.00 32.13 H new ATOM 0 HG3 ARG A 84 -11.877 21.670 -11.010 1.00 32.13 H new ATOM 0 HD2 ARG A 84 -12.311 24.055 -11.179 1.00 54.02 H new ATOM 0 HD3 ARG A 84 -11.272 24.204 -12.582 1.00 54.02 H new ATOM 0 HE ARG A 84 -12.982 22.624 -13.723 1.00 55.22 H new ATOM 0 HH11 ARG A 84 -13.806 24.782 -11.104 1.00 72.41 H new ATOM 0 HH12 ARG A 84 -15.455 25.024 -11.690 1.00 72.41 H new ATOM 0 HH21 ARG A 84 -15.040 22.989 -14.466 1.00 0.32 H new ATOM 0 HH22 ARG A 84 -16.139 24.029 -13.554 1.00 0.32 H new ATOM 1385 N LYS A 85 -6.943 22.150 -11.057 1.00 13.11 N ATOM 1386 CA LYS A 85 -5.624 22.740 -10.814 1.00 53.20 C ATOM 1387 C LYS A 85 -5.737 24.274 -10.737 1.00 50.03 C ATOM 1388 O LYS A 85 -5.956 24.941 -11.752 1.00 14.52 O ATOM 1389 CB LYS A 85 -4.650 22.351 -11.931 1.00 73.14 C ATOM 1390 CG LYS A 85 -4.479 20.851 -12.135 1.00 41.14 C ATOM 1391 CD LYS A 85 -3.427 20.552 -13.202 1.00 24.53 C ATOM 1392 CE LYS A 85 -3.773 21.203 -14.541 1.00 54.20 C ATOM 1393 NZ LYS A 85 -2.670 21.064 -15.530 1.00 34.34 N ATOM 0 H LYS A 85 -7.190 22.074 -12.044 1.00 13.11 H new ATOM 0 HA LYS A 85 -5.245 22.359 -9.866 1.00 53.20 H new ATOM 0 HB2 LYS A 85 -4.995 22.794 -12.865 1.00 73.14 H new ATOM 0 HB3 LYS A 85 -3.675 22.787 -11.712 1.00 73.14 H new ATOM 0 HG2 LYS A 85 -4.188 20.385 -11.194 1.00 41.14 H new ATOM 0 HG3 LYS A 85 -5.432 20.411 -12.428 1.00 41.14 H new ATOM 0 HD2 LYS A 85 -2.455 20.911 -12.864 1.00 24.53 H new ATOM 0 HD3 LYS A 85 -3.340 19.474 -13.334 1.00 24.53 H new ATOM 0 HE2 LYS A 85 -4.679 20.748 -14.942 1.00 54.20 H new ATOM 0 HE3 LYS A 85 -3.989 22.260 -14.385 1.00 54.20 H new ATOM 0 HZ1 LYS A 85 -2.946 21.519 -16.424 1.00 34.34 H new ATOM 0 HZ2 LYS A 85 -1.812 21.520 -15.160 1.00 34.34 H new ATOM 0 HZ3 LYS A 85 -2.480 20.056 -15.699 1.00 34.34 H new ATOM 1407 N LEU A 86 -5.598 24.831 -9.535 1.00 32.41 N ATOM 1408 CA LEU A 86 -5.796 26.272 -9.323 1.00 54.13 C ATOM 1409 C LEU A 86 -4.462 27.035 -9.234 1.00 44.14 C ATOM 1410 O LEU A 86 -4.056 27.484 -8.157 1.00 43.51 O ATOM 1411 CB LEU A 86 -6.624 26.505 -8.049 1.00 3.32 C ATOM 1412 CG LEU A 86 -7.985 25.784 -8.005 1.00 70.41 C ATOM 1413 CD1 LEU A 86 -8.711 26.076 -6.694 1.00 55.40 C ATOM 1414 CD2 LEU A 86 -8.848 26.185 -9.202 1.00 44.45 C ATOM 0 H LEU A 86 -5.350 24.312 -8.693 1.00 32.41 H new ATOM 0 HA LEU A 86 -6.335 26.660 -10.188 1.00 54.13 H new ATOM 0 HB2 LEU A 86 -6.035 26.186 -7.189 1.00 3.32 H new ATOM 0 HB3 LEU A 86 -6.795 27.576 -7.938 1.00 3.32 H new ATOM 0 HG LEU A 86 -7.803 24.711 -8.060 1.00 70.41 H new ATOM 0 HD11 LEU A 86 -9.669 25.557 -6.685 1.00 55.40 H new ATOM 0 HD12 LEU A 86 -8.104 25.731 -5.857 1.00 55.40 H new ATOM 0 HD13 LEU A 86 -8.879 27.149 -6.602 1.00 55.40 H new ATOM 0 HD21 LEU A 86 -9.804 25.665 -9.152 1.00 44.45 H new ATOM 0 HD22 LEU A 86 -9.019 27.261 -9.183 1.00 44.45 H new ATOM 0 HD23 LEU A 86 -8.336 25.915 -10.126 1.00 44.45 H new ATOM 1426 N GLU A 87 -3.776 27.171 -10.366 1.00 24.42 N ATOM 1427 CA GLU A 87 -2.526 27.942 -10.425 1.00 62.45 C ATOM 1428 C GLU A 87 -2.796 29.445 -10.603 1.00 31.14 C ATOM 1429 O GLU A 87 -3.783 29.848 -11.227 1.00 72.20 O ATOM 1430 CB GLU A 87 -1.616 27.444 -11.561 1.00 75.20 C ATOM 1431 CG GLU A 87 -1.000 26.064 -11.324 1.00 34.20 C ATOM 1432 CD GLU A 87 -2.023 24.942 -11.348 1.00 65.34 C ATOM 1433 OE1 GLU A 87 -2.443 24.549 -12.457 1.00 21.22 O ATOM 1434 OE2 GLU A 87 -2.407 24.452 -10.262 1.00 3.42 O ATOM 0 H GLU A 87 -4.059 26.760 -11.256 1.00 24.42 H new ATOM 0 HA GLU A 87 -2.018 27.791 -9.473 1.00 62.45 H new ATOM 0 HB2 GLU A 87 -2.193 27.416 -12.485 1.00 75.20 H new ATOM 0 HB3 GLU A 87 -0.813 28.166 -11.708 1.00 75.20 H new ATOM 0 HG2 GLU A 87 -0.244 25.875 -12.086 1.00 34.20 H new ATOM 0 HG3 GLU A 87 -0.489 26.061 -10.361 1.00 34.20 H new ATOM 1441 N THR A 88 -1.905 30.268 -10.058 1.00 40.32 N ATOM 1442 CA THR A 88 -2.039 31.730 -10.125 1.00 14.14 C ATOM 1443 C THR A 88 -0.680 32.404 -10.385 1.00 13.44 C ATOM 1444 O THR A 88 0.348 31.732 -10.484 1.00 45.42 O ATOM 1445 CB THR A 88 -2.653 32.295 -8.820 1.00 23.12 C ATOM 1446 OG1 THR A 88 -2.764 33.725 -8.897 1.00 50.25 O ATOM 1447 CG2 THR A 88 -1.815 31.913 -7.605 1.00 35.30 C ATOM 0 H THR A 88 -1.074 29.949 -9.560 1.00 40.32 H new ATOM 0 HA THR A 88 -2.707 31.952 -10.957 1.00 14.14 H new ATOM 0 HB THR A 88 -3.646 31.860 -8.707 1.00 23.12 H new ATOM 0 HG1 THR A 88 -3.155 34.068 -8.066 1.00 50.25 H new ATOM 0 HG21 THR A 88 -2.271 32.324 -6.704 1.00 35.30 H new ATOM 0 HG22 THR A 88 -1.766 30.827 -7.524 1.00 35.30 H new ATOM 0 HG23 THR A 88 -0.808 32.314 -7.717 1.00 35.30 H new ATOM 1455 N ILE A 89 -0.681 33.730 -10.503 1.00 34.40 N ATOM 1456 CA ILE A 89 0.549 34.492 -10.769 1.00 0.13 C ATOM 1457 C ILE A 89 1.442 34.562 -9.520 1.00 12.31 C ATOM 1458 O ILE A 89 0.948 34.720 -8.400 1.00 22.25 O ATOM 1459 CB ILE A 89 0.222 35.933 -11.249 1.00 63.23 C ATOM 1460 CG1 ILE A 89 -0.670 35.891 -12.503 1.00 51.22 C ATOM 1461 CG2 ILE A 89 1.504 36.725 -11.526 1.00 42.13 C ATOM 1462 CD1 ILE A 89 -0.049 35.164 -13.682 1.00 44.43 C ATOM 0 H ILE A 89 -1.519 34.305 -10.419 1.00 34.40 H new ATOM 0 HA ILE A 89 1.086 33.967 -11.559 1.00 0.13 H new ATOM 0 HB ILE A 89 -0.321 36.441 -10.452 1.00 63.23 H new ATOM 0 HG12 ILE A 89 -1.614 35.408 -12.248 1.00 51.22 H new ATOM 0 HG13 ILE A 89 -0.905 36.912 -12.803 1.00 51.22 H new ATOM 0 HG21 ILE A 89 1.246 37.730 -11.860 1.00 42.13 H new ATOM 0 HG22 ILE A 89 2.097 36.787 -10.614 1.00 42.13 H new ATOM 0 HG23 ILE A 89 2.082 36.222 -12.301 1.00 42.13 H new ATOM 0 HD11 ILE A 89 -0.741 35.179 -14.524 1.00 44.43 H new ATOM 0 HD12 ILE A 89 0.880 35.659 -13.966 1.00 44.43 H new ATOM 0 HD13 ILE A 89 0.160 34.131 -13.403 1.00 44.43 H new ATOM 1474 N VAL A 90 2.755 34.437 -9.717 1.00 31.01 N ATOM 1475 CA VAL A 90 3.712 34.496 -8.607 1.00 73.40 C ATOM 1476 C VAL A 90 5.090 35.005 -9.068 1.00 21.41 C ATOM 1477 O VAL A 90 5.634 34.540 -10.072 1.00 74.44 O ATOM 1478 CB VAL A 90 3.867 33.109 -7.922 1.00 24.22 C ATOM 1479 CG1 VAL A 90 4.340 32.048 -8.917 1.00 23.24 C ATOM 1480 CG2 VAL A 90 4.810 33.194 -6.718 1.00 44.14 C ATOM 0 H VAL A 90 3.181 34.294 -10.633 1.00 31.01 H new ATOM 0 HA VAL A 90 3.309 35.204 -7.883 1.00 73.40 H new ATOM 0 HB VAL A 90 2.885 32.807 -7.559 1.00 24.22 H new ATOM 0 HG11 VAL A 90 4.439 31.090 -8.407 1.00 23.24 H new ATOM 0 HG12 VAL A 90 3.613 31.957 -9.724 1.00 23.24 H new ATOM 0 HG13 VAL A 90 5.306 32.341 -9.329 1.00 23.24 H new ATOM 0 HG21 VAL A 90 4.901 32.211 -6.257 1.00 44.14 H new ATOM 0 HG22 VAL A 90 5.792 33.532 -7.048 1.00 44.14 H new ATOM 0 HG23 VAL A 90 4.409 33.900 -5.991 1.00 44.14 H new ATOM 1490 N GLN A 91 5.639 35.971 -8.332 1.00 2.33 N ATOM 1491 CA GLN A 91 6.967 36.534 -8.635 1.00 14.11 C ATOM 1492 C GLN A 91 8.107 35.640 -8.099 1.00 3.13 C ATOM 1493 O GLN A 91 8.230 35.491 -6.861 1.00 37.62 O ATOM 1494 CB GLN A 91 7.083 37.959 -8.059 1.00 23.30 C ATOM 1495 CG GLN A 91 8.455 38.611 -8.241 1.00 72.12 C ATOM 1496 CD GLN A 91 8.890 38.707 -9.698 1.00 2.14 C ATOM 1497 OE1 GLN A 91 8.605 39.682 -10.389 1.00 4.33 O ATOM 1498 NE2 GLN A 91 9.594 37.701 -10.173 1.00 52.32 N ATOM 1499 OXT GLN A 91 8.885 35.101 -8.922 1.00 37.62 O ATOM 0 H GLN A 91 5.187 36.386 -7.517 1.00 2.33 H new ATOM 0 HA GLN A 91 7.070 36.576 -9.719 1.00 14.11 H new ATOM 0 HB2 GLN A 91 6.330 38.590 -8.532 1.00 23.30 H new ATOM 0 HB3 GLN A 91 6.849 37.927 -6.995 1.00 23.30 H new ATOM 0 HG2 GLN A 91 8.434 39.612 -7.809 1.00 72.12 H new ATOM 0 HG3 GLN A 91 9.198 38.039 -7.685 1.00 72.12 H new ATOM 0 HE21 GLN A 91 9.815 36.905 -9.574 1.00 52.32 H new ATOM 0 HE22 GLN A 91 9.919 37.717 -11.140 1.00 52.32 H new TER 1508 GLN A 91