USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 536 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -147:sc= 0.152! (180deg=-0.555!) USER MOD Single : A 3 HIS : no HD1:sc= -0.171 X(o=-0.17,f=-0.0056) 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=-0.00024) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HE2:sc= -0.387 K(o=-0.39,f=-1.2) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 50:sc= 0.274 USER MOD Single : A 10 HIS : no HD1:sc= -0.828 K(o=-0.83,f=-2.9!) USER MOD Single : A 11 MET CE :methyl -162:sc= -0.121 (180deg=-0.612) USER MOD Single : A 12 ASN : amide:sc= -0.572 K(o=-0.57,f=-4.4!) USER MOD Single : A 13 HIS : no HD1:sc= -0.0108 X(o=-0.011,f=-0.002) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 15 HIS : no HE2:sc= 0.0226 K(o=0.023,f=-7.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.12! X(o=-2.1!,f=-1.8) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.811 USER MOD Single : A 37 LYS NZ :NH3+ -140:sc= -0.0844 (180deg=-0.492) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot -48:sc= 1.49 USER MOD Single : A 58 HIS : no HD1:sc= -0.0915 X(o=-0.091,f=-0.1) USER MOD Single : A 59 GLN : amide:sc= -0.0406 X(o=-0.041,f=-0.024) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.273 K(o=-0.27,f=-3.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -34.290 -3.499 -25.795 1.00 13.23 N ATOM 2 CA MET A 1 -32.910 -4.050 -25.887 1.00 21.35 C ATOM 3 C MET A 1 -32.025 -3.525 -24.747 1.00 51.53 C ATOM 4 O MET A 1 -32.422 -2.633 -23.999 1.00 4.22 O ATOM 5 CB MET A 1 -32.288 -3.695 -27.245 1.00 5.51 C ATOM 6 CG MET A 1 -32.186 -2.197 -27.509 1.00 14.32 C ATOM 7 SD MET A 1 -33.792 -1.373 -27.461 1.00 12.45 S ATOM 8 CE MET A 1 -33.321 0.322 -27.824 1.00 1.22 C ATOM 0 H1 MET A 1 -34.970 -4.205 -26.144 1.00 13.23 H new ATOM 0 H2 MET A 1 -34.507 -3.270 -24.804 1.00 13.23 H new ATOM 0 H3 MET A 1 -34.359 -2.637 -26.372 1.00 13.23 H new ATOM 0 HA MET A 1 -32.973 -5.134 -25.795 1.00 21.35 H new ATOM 0 HB2 MET A 1 -31.291 -4.132 -27.302 1.00 5.51 H new ATOM 0 HB3 MET A 1 -32.882 -4.153 -28.036 1.00 5.51 H new ATOM 0 HG2 MET A 1 -31.528 -1.745 -26.767 1.00 14.32 H new ATOM 0 HG3 MET A 1 -31.727 -2.034 -28.484 1.00 14.32 H new ATOM 0 HE1 MET A 1 -34.209 0.953 -27.829 1.00 1.22 H new ATOM 0 HE2 MET A 1 -32.627 0.678 -27.062 1.00 1.22 H new ATOM 0 HE3 MET A 1 -32.840 0.365 -28.801 1.00 1.22 H new ATOM 20 N GLY A 2 -30.816 -4.075 -24.634 1.00 72.42 N ATOM 21 CA GLY A 2 -29.898 -3.688 -23.564 1.00 32.10 C ATOM 22 C GLY A 2 -29.218 -4.889 -22.915 1.00 14.31 C ATOM 23 O GLY A 2 -29.370 -5.131 -21.714 1.00 21.13 O ATOM 0 H GLY A 2 -30.451 -4.787 -25.267 1.00 72.42 H new ATOM 0 HA2 GLY A 2 -29.138 -3.018 -23.966 1.00 32.10 H new ATOM 0 HA3 GLY A 2 -30.445 -3.130 -22.804 1.00 32.10 H new ATOM 27 N HIS A 3 -28.460 -5.650 -23.705 1.00 23.31 N ATOM 28 CA HIS A 3 -27.795 -6.860 -23.203 1.00 35.21 C ATOM 29 C HIS A 3 -26.360 -7.008 -23.743 1.00 72.42 C ATOM 30 O HIS A 3 -26.137 -7.063 -24.953 1.00 61.42 O ATOM 31 CB HIS A 3 -28.627 -8.108 -23.552 1.00 72.11 C ATOM 32 CG HIS A 3 -28.970 -8.241 -25.010 1.00 42.22 C ATOM 33 ND1 HIS A 3 -30.150 -7.773 -25.550 1.00 10.01 N ATOM 34 CD2 HIS A 3 -28.294 -8.804 -26.042 1.00 34.43 C ATOM 35 CE1 HIS A 3 -30.182 -8.041 -26.840 1.00 61.22 C ATOM 36 NE2 HIS A 3 -29.071 -8.665 -27.161 1.00 2.40 N ATOM 0 H HIS A 3 -28.290 -5.454 -24.691 1.00 23.31 H new ATOM 0 HA HIS A 3 -27.723 -6.762 -22.120 1.00 35.21 H new ATOM 0 HB2 HIS A 3 -28.077 -8.995 -23.239 1.00 72.11 H new ATOM 0 HB3 HIS A 3 -29.551 -8.086 -22.975 1.00 72.11 H new ATOM 0 HD2 HIS A 3 -27.323 -9.275 -25.991 1.00 34.43 H new ATOM 0 HE1 HIS A 3 -30.985 -7.790 -27.518 1.00 61.22 H new ATOM 0 HE2 HIS A 3 -28.826 -8.994 -28.095 1.00 2.40 H new ATOM 45 N HIS A 4 -25.391 -7.063 -22.832 1.00 43.42 N ATOM 46 CA HIS A 4 -23.997 -7.359 -23.188 1.00 72.34 C ATOM 47 C HIS A 4 -23.647 -8.803 -22.808 1.00 31.34 C ATOM 48 O HIS A 4 -24.349 -9.429 -22.015 1.00 71.43 O ATOM 49 CB HIS A 4 -23.048 -6.381 -22.483 1.00 32.50 C ATOM 50 CG HIS A 4 -23.321 -4.944 -22.808 1.00 50.41 C ATOM 51 ND1 HIS A 4 -24.049 -4.115 -21.984 1.00 64.41 N ATOM 52 CD2 HIS A 4 -22.963 -4.184 -23.873 1.00 72.34 C ATOM 53 CE1 HIS A 4 -24.127 -2.918 -22.521 1.00 2.34 C ATOM 54 NE2 HIS A 4 -23.478 -2.928 -23.665 1.00 63.02 N ATOM 0 H HIS A 4 -25.543 -6.906 -21.836 1.00 43.42 H new ATOM 0 HA HIS A 4 -23.881 -7.243 -24.266 1.00 72.34 H new ATOM 0 HB2 HIS A 4 -23.128 -6.523 -21.405 1.00 32.50 H new ATOM 0 HB3 HIS A 4 -22.021 -6.619 -22.761 1.00 32.50 H new ATOM 0 HD2 HIS A 4 -22.382 -4.506 -24.725 1.00 72.34 H new ATOM 0 HE1 HIS A 4 -24.639 -2.068 -22.094 1.00 2.34 H new ATOM 0 HE2 HIS A 4 -23.374 -2.133 -24.295 1.00 63.02 H new ATOM 63 N HIS A 5 -22.553 -9.328 -23.358 1.00 31.53 N ATOM 64 CA HIS A 5 -22.147 -10.717 -23.089 1.00 0.04 C ATOM 65 C HIS A 5 -21.713 -10.926 -21.620 1.00 42.21 C ATOM 66 O HIS A 5 -21.440 -12.050 -21.194 1.00 54.02 O ATOM 67 CB HIS A 5 -21.041 -11.142 -24.061 1.00 74.33 C ATOM 68 CG HIS A 5 -21.484 -11.145 -25.497 1.00 74.40 C ATOM 69 ND1 HIS A 5 -20.895 -10.376 -26.476 1.00 64.44 N ATOM 70 CD2 HIS A 5 -22.471 -11.838 -26.118 1.00 51.23 C ATOM 71 CE1 HIS A 5 -21.498 -10.589 -27.627 1.00 34.43 C ATOM 72 NE2 HIS A 5 -22.458 -11.471 -27.442 1.00 35.34 N ATOM 0 H HIS A 5 -21.932 -8.821 -23.989 1.00 31.53 H new ATOM 0 HA HIS A 5 -23.017 -11.353 -23.249 1.00 0.04 H new ATOM 0 HB2 HIS A 5 -20.191 -10.468 -23.951 1.00 74.33 H new ATOM 0 HB3 HIS A 5 -20.694 -12.140 -23.792 1.00 74.33 H new ATOM 0 HD2 HIS A 5 -23.143 -12.547 -25.657 1.00 51.23 H new ATOM 0 HE1 HIS A 5 -21.247 -10.119 -28.566 1.00 34.43 H new ATOM 0 HE2 HIS A 5 -23.088 -11.824 -28.163 1.00 35.34 H new ATOM 81 N HIS A 6 -21.635 -9.834 -20.859 1.00 13.23 N ATOM 82 CA HIS A 6 -21.500 -9.894 -19.397 1.00 74.44 C ATOM 83 C HIS A 6 -22.711 -9.220 -18.729 1.00 15.45 C ATOM 84 O HIS A 6 -22.815 -7.994 -18.705 1.00 53.13 O ATOM 85 CB HIS A 6 -20.199 -9.217 -18.938 1.00 40.13 C ATOM 86 CG HIS A 6 -18.955 -9.922 -19.388 1.00 44.51 C ATOM 87 ND1 HIS A 6 -18.155 -9.459 -20.408 1.00 70.22 N ATOM 88 CD2 HIS A 6 -18.365 -11.059 -18.942 1.00 42.32 C ATOM 89 CE1 HIS A 6 -17.134 -10.272 -20.573 1.00 24.13 C ATOM 90 NE2 HIS A 6 -17.233 -11.250 -19.697 1.00 54.21 N ATOM 0 H HIS A 6 -21.663 -8.885 -21.233 1.00 13.23 H new ATOM 0 HA HIS A 6 -21.463 -10.942 -19.098 1.00 74.44 H new ATOM 0 HB2 HIS A 6 -20.181 -8.194 -19.314 1.00 40.13 H new ATOM 0 HB3 HIS A 6 -20.197 -9.157 -17.850 1.00 40.13 H new ATOM 0 HD2 HIS A 6 -18.718 -11.695 -18.144 1.00 42.32 H new ATOM 0 HE1 HIS A 6 -16.347 -10.157 -21.304 1.00 24.13 H new ATOM 0 HE2 HIS A 6 -16.576 -12.024 -19.595 1.00 54.21 H new ATOM 99 N HIS A 7 -23.630 -10.028 -18.201 1.00 4.04 N ATOM 100 CA HIS A 7 -24.885 -9.514 -17.633 1.00 1.32 C ATOM 101 C HIS A 7 -24.793 -9.295 -16.112 1.00 21.44 C ATOM 102 O HIS A 7 -25.632 -8.605 -15.529 1.00 74.33 O ATOM 103 CB HIS A 7 -26.034 -10.483 -17.938 1.00 54.24 C ATOM 104 CG HIS A 7 -26.178 -10.805 -19.394 1.00 51.53 C ATOM 105 ND1 HIS A 7 -25.585 -11.899 -19.983 1.00 32.14 N ATOM 106 CD2 HIS A 7 -26.856 -10.173 -20.381 1.00 54.10 C ATOM 107 CE1 HIS A 7 -25.886 -11.924 -21.264 1.00 13.44 C ATOM 108 NE2 HIS A 7 -26.655 -10.893 -21.536 1.00 1.14 N ATOM 0 H HIS A 7 -23.533 -11.042 -18.153 1.00 4.04 H new ATOM 0 HA HIS A 7 -25.074 -8.546 -18.098 1.00 1.32 H new ATOM 0 HB2 HIS A 7 -25.874 -11.408 -17.384 1.00 54.24 H new ATOM 0 HB3 HIS A 7 -26.967 -10.052 -17.576 1.00 54.24 H new ATOM 0 HD1 HIS A 7 -25.003 -12.584 -19.501 1.00 32.14 H new ATOM 0 HD2 HIS A 7 -27.444 -9.273 -20.280 1.00 54.10 H new ATOM 0 HE1 HIS A 7 -25.556 -12.668 -21.974 1.00 13.44 H new ATOM 117 N HIS A 8 -23.785 -9.889 -15.474 1.00 44.52 N ATOM 118 CA HIS A 8 -23.630 -9.794 -14.017 1.00 61.32 C ATOM 119 C HIS A 8 -23.345 -8.351 -13.567 1.00 44.14 C ATOM 120 O HIS A 8 -22.191 -7.932 -13.457 1.00 1.31 O ATOM 121 CB HIS A 8 -22.518 -10.737 -13.533 1.00 61.40 C ATOM 122 CG HIS A 8 -22.388 -10.799 -12.039 1.00 72.21 C ATOM 123 ND1 HIS A 8 -23.291 -11.458 -11.233 1.00 62.44 N ATOM 124 CD2 HIS A 8 -21.454 -10.287 -11.203 1.00 21.32 C ATOM 125 CE1 HIS A 8 -22.922 -11.351 -9.976 1.00 42.14 C ATOM 126 NE2 HIS A 8 -21.810 -10.648 -9.925 1.00 31.12 N ATOM 0 H HIS A 8 -23.064 -10.440 -15.939 1.00 44.52 H new ATOM 0 HA HIS A 8 -24.574 -10.099 -13.565 1.00 61.32 H new ATOM 0 HB2 HIS A 8 -22.713 -11.740 -13.914 1.00 61.40 H new ATOM 0 HB3 HIS A 8 -21.568 -10.413 -13.958 1.00 61.40 H new ATOM 0 HD2 HIS A 8 -20.590 -9.704 -11.487 1.00 21.32 H new ATOM 0 HE1 HIS A 8 -23.443 -11.769 -9.128 1.00 42.14 H new ATOM 0 HE2 HIS A 8 -21.297 -10.410 -9.076 1.00 31.12 H new ATOM 135 N SER A 9 -24.409 -7.596 -13.320 1.00 24.41 N ATOM 136 CA SER A 9 -24.296 -6.206 -12.867 1.00 15.11 C ATOM 137 C SER A 9 -23.788 -6.128 -11.421 1.00 63.24 C ATOM 138 O SER A 9 -24.514 -6.428 -10.470 1.00 63.04 O ATOM 139 CB SER A 9 -25.657 -5.506 -12.993 1.00 23.10 C ATOM 140 OG SER A 9 -26.679 -6.252 -12.348 1.00 22.41 O ATOM 0 H SER A 9 -25.370 -7.923 -13.426 1.00 24.41 H new ATOM 0 HA SER A 9 -23.569 -5.699 -13.501 1.00 15.11 H new ATOM 0 HB2 SER A 9 -25.599 -4.510 -12.555 1.00 23.10 H new ATOM 0 HB3 SER A 9 -25.907 -5.377 -14.046 1.00 23.10 H new ATOM 0 HG SER A 9 -26.393 -6.481 -11.439 1.00 22.41 H new ATOM 146 N HIS A 10 -22.526 -5.737 -11.257 1.00 73.04 N ATOM 147 CA HIS A 10 -21.912 -5.635 -9.929 1.00 1.41 C ATOM 148 C HIS A 10 -22.124 -4.236 -9.317 1.00 2.24 C ATOM 149 O HIS A 10 -21.460 -3.273 -9.703 1.00 14.01 O ATOM 150 CB HIS A 10 -20.414 -5.958 -10.020 1.00 74.31 C ATOM 151 CG HIS A 10 -19.717 -5.984 -8.692 1.00 1.12 C ATOM 152 ND1 HIS A 10 -19.889 -6.995 -7.774 1.00 65.21 N ATOM 153 CD2 HIS A 10 -18.842 -5.117 -8.128 1.00 0.04 C ATOM 154 CE1 HIS A 10 -19.156 -6.751 -6.708 1.00 35.31 C ATOM 155 NE2 HIS A 10 -18.511 -5.619 -6.893 1.00 11.10 N ATOM 0 H HIS A 10 -21.906 -5.485 -12.026 1.00 73.04 H new ATOM 0 HA HIS A 10 -22.396 -6.359 -9.274 1.00 1.41 H new ATOM 0 HB2 HIS A 10 -20.290 -6.927 -10.504 1.00 74.31 H new ATOM 0 HB3 HIS A 10 -19.931 -5.219 -10.659 1.00 74.31 H new ATOM 0 HD2 HIS A 10 -18.473 -4.202 -8.567 1.00 0.04 H new ATOM 0 HE1 HIS A 10 -19.094 -7.375 -5.829 1.00 35.31 H new ATOM 0 HE2 HIS A 10 -17.870 -5.185 -6.228 1.00 11.10 H new ATOM 164 N MET A 11 -23.048 -4.142 -8.361 1.00 42.41 N ATOM 165 CA MET A 11 -23.379 -2.865 -7.708 1.00 23.24 C ATOM 166 C MET A 11 -22.678 -2.715 -6.345 1.00 53.13 C ATOM 167 O MET A 11 -22.509 -1.601 -5.843 1.00 12.23 O ATOM 168 CB MET A 11 -24.898 -2.750 -7.521 1.00 20.01 C ATOM 169 CG MET A 11 -25.666 -2.649 -8.830 1.00 72.45 C ATOM 170 SD MET A 11 -25.218 -1.181 -9.778 1.00 25.42 S ATOM 171 CE MET A 11 -25.716 0.127 -8.653 1.00 23.33 C ATOM 0 H MET A 11 -23.586 -4.937 -8.016 1.00 42.41 H new ATOM 0 HA MET A 11 -23.023 -2.065 -8.356 1.00 23.24 H new ATOM 0 HB2 MET A 11 -25.254 -3.618 -6.966 1.00 20.01 H new ATOM 0 HB3 MET A 11 -25.116 -1.872 -6.913 1.00 20.01 H new ATOM 0 HG2 MET A 11 -25.474 -3.538 -9.430 1.00 72.45 H new ATOM 0 HG3 MET A 11 -26.735 -2.630 -8.620 1.00 72.45 H new ATOM 0 HE1 MET A 11 -25.805 1.065 -9.202 1.00 23.33 H new ATOM 0 HE2 MET A 11 -26.678 -0.124 -8.206 1.00 23.33 H new ATOM 0 HE3 MET A 11 -24.968 0.236 -7.868 1.00 23.33 H new ATOM 181 N ASN A 12 -22.283 -3.837 -5.744 1.00 75.40 N ATOM 182 CA ASN A 12 -21.608 -3.818 -4.440 1.00 51.35 C ATOM 183 C ASN A 12 -20.196 -3.217 -4.558 1.00 2.43 C ATOM 184 O ASN A 12 -19.417 -3.615 -5.426 1.00 23.13 O ATOM 185 CB ASN A 12 -21.512 -5.242 -3.858 1.00 0.45 C ATOM 186 CG ASN A 12 -22.859 -5.936 -3.744 1.00 13.12 C ATOM 187 OD1 ASN A 12 -23.760 -5.723 -4.553 1.00 11.12 O ATOM 188 ND2 ASN A 12 -23.012 -6.778 -2.741 1.00 43.32 N ATOM 0 H ASN A 12 -22.417 -4.769 -6.135 1.00 75.40 H new ATOM 0 HA ASN A 12 -22.201 -3.195 -3.771 1.00 51.35 H new ATOM 0 HB2 ASN A 12 -20.854 -5.841 -4.488 1.00 0.45 H new ATOM 0 HB3 ASN A 12 -21.051 -5.194 -2.871 1.00 0.45 H new ATOM 0 HD21 ASN A 12 -23.896 -7.273 -2.621 1.00 43.32 H new ATOM 0 HD22 ASN A 12 -22.247 -6.935 -2.085 1.00 43.32 H new ATOM 195 N HIS A 13 -19.862 -2.263 -3.684 1.00 13.04 N ATOM 196 CA HIS A 13 -18.510 -1.685 -3.666 1.00 51.11 C ATOM 197 C HIS A 13 -17.492 -2.715 -3.160 1.00 75.55 C ATOM 198 O HIS A 13 -16.299 -2.616 -3.435 1.00 74.04 O ATOM 199 CB HIS A 13 -18.465 -0.411 -2.809 1.00 62.31 C ATOM 200 CG HIS A 13 -19.110 0.772 -3.468 1.00 21.01 C ATOM 201 ND1 HIS A 13 -18.537 2.026 -3.486 1.00 42.15 N ATOM 202 CD2 HIS A 13 -20.286 0.894 -4.133 1.00 42.12 C ATOM 203 CE1 HIS A 13 -19.329 2.862 -4.128 1.00 51.15 C ATOM 204 NE2 HIS A 13 -20.392 2.202 -4.530 1.00 31.23 N ATOM 0 H HIS A 13 -20.498 -1.877 -2.987 1.00 13.04 H new ATOM 0 HA HIS A 13 -18.246 -1.411 -4.687 1.00 51.11 H new ATOM 0 HB2 HIS A 13 -18.962 -0.604 -1.858 1.00 62.31 H new ATOM 0 HB3 HIS A 13 -17.426 -0.170 -2.583 1.00 62.31 H new ATOM 0 HD2 HIS A 13 -21.004 0.108 -4.315 1.00 42.12 H new ATOM 0 HE1 HIS A 13 -19.137 3.912 -4.295 1.00 51.15 H new ATOM 0 HE2 HIS A 13 -21.172 2.600 -5.054 1.00 31.23 H new ATOM 213 N GLN A 14 -17.984 -3.703 -2.415 1.00 63.10 N ATOM 214 CA GLN A 14 -17.176 -4.868 -2.042 1.00 60.44 C ATOM 215 C GLN A 14 -16.698 -5.615 -3.298 1.00 72.52 C ATOM 216 O GLN A 14 -17.487 -5.905 -4.203 1.00 25.40 O ATOM 217 CB GLN A 14 -17.987 -5.813 -1.128 1.00 41.04 C ATOM 218 CG GLN A 14 -17.333 -7.176 -0.871 1.00 23.34 C ATOM 219 CD GLN A 14 -15.929 -7.084 -0.289 1.00 60.20 C ATOM 220 OE1 GLN A 14 -15.589 -6.139 0.415 1.00 51.13 O ATOM 221 NE2 GLN A 14 -15.103 -8.069 -0.584 1.00 23.25 N ATOM 0 H GLN A 14 -18.939 -3.722 -2.056 1.00 63.10 H new ATOM 0 HA GLN A 14 -16.300 -4.521 -1.493 1.00 60.44 H new ATOM 0 HB2 GLN A 14 -18.151 -5.318 -0.171 1.00 41.04 H new ATOM 0 HB3 GLN A 14 -18.968 -5.975 -1.575 1.00 41.04 H new ATOM 0 HG2 GLN A 14 -17.962 -7.748 -0.189 1.00 23.34 H new ATOM 0 HG3 GLN A 14 -17.292 -7.731 -1.808 1.00 23.34 H new ATOM 0 HE21 GLN A 14 -15.418 -8.840 -1.173 1.00 23.25 H new ATOM 0 HE22 GLN A 14 -14.149 -8.060 -0.224 1.00 23.25 H new ATOM 230 N HIS A 15 -15.400 -5.901 -3.359 1.00 41.12 N ATOM 231 CA HIS A 15 -14.807 -6.595 -4.507 1.00 12.43 C ATOM 232 C HIS A 15 -13.709 -7.567 -4.059 1.00 61.30 C ATOM 233 O HIS A 15 -12.927 -7.260 -3.159 1.00 25.42 O ATOM 234 CB HIS A 15 -14.261 -5.573 -5.518 1.00 33.14 C ATOM 235 CG HIS A 15 -13.377 -4.524 -4.911 1.00 1.21 C ATOM 236 ND1 HIS A 15 -13.824 -3.614 -3.981 1.00 14.43 N ATOM 237 CD2 HIS A 15 -12.069 -4.232 -5.110 1.00 4.03 C ATOM 238 CE1 HIS A 15 -12.840 -2.815 -3.636 1.00 13.52 C ATOM 239 NE2 HIS A 15 -11.761 -3.160 -4.306 1.00 52.14 N ATOM 0 H HIS A 15 -14.733 -5.663 -2.625 1.00 41.12 H new ATOM 0 HA HIS A 15 -15.585 -7.183 -4.994 1.00 12.43 H new ATOM 0 HB2 HIS A 15 -13.701 -6.103 -6.288 1.00 33.14 H new ATOM 0 HB3 HIS A 15 -15.100 -5.084 -6.013 1.00 33.14 H new ATOM 0 HD1 HIS A 15 -14.775 -3.567 -3.615 1.00 14.43 H new ATOM 0 HD2 HIS A 15 -11.393 -4.746 -5.777 1.00 4.03 H new ATOM 0 HE1 HIS A 15 -12.906 -2.008 -2.921 1.00 13.52 H new ATOM 248 N GLU A 16 -13.666 -8.734 -4.700 1.00 42.32 N ATOM 249 CA GLU A 16 -12.734 -9.812 -4.337 1.00 12.34 C ATOM 250 C GLU A 16 -11.270 -9.337 -4.255 1.00 22.01 C ATOM 251 O GLU A 16 -10.683 -8.896 -5.246 1.00 43.30 O ATOM 252 CB GLU A 16 -12.865 -10.968 -5.342 1.00 75.21 C ATOM 253 CG GLU A 16 -12.692 -10.550 -6.801 1.00 21.14 C ATOM 254 CD GLU A 16 -12.881 -11.703 -7.770 1.00 35.42 C ATOM 255 OE1 GLU A 16 -14.039 -12.009 -8.120 1.00 70.33 O ATOM 256 OE2 GLU A 16 -11.872 -12.321 -8.176 1.00 75.12 O ATOM 0 H GLU A 16 -14.274 -8.963 -5.486 1.00 42.32 H new ATOM 0 HA GLU A 16 -13.006 -10.153 -3.338 1.00 12.34 H new ATOM 0 HB2 GLU A 16 -12.122 -11.729 -5.103 1.00 75.21 H new ATOM 0 HB3 GLU A 16 -13.845 -11.430 -5.222 1.00 75.21 H new ATOM 0 HG2 GLU A 16 -13.408 -9.763 -7.036 1.00 21.14 H new ATOM 0 HG3 GLU A 16 -11.697 -10.126 -6.937 1.00 21.14 H new ATOM 263 N ALA A 17 -10.694 -9.434 -3.057 1.00 31.42 N ATOM 264 CA ALA A 17 -9.293 -9.064 -2.824 1.00 2.12 C ATOM 265 C ALA A 17 -8.853 -9.397 -1.388 1.00 43.50 C ATOM 266 O ALA A 17 -9.667 -9.787 -0.544 1.00 62.33 O ATOM 267 CB ALA A 17 -9.070 -7.579 -3.111 1.00 23.11 C ATOM 0 H ALA A 17 -11.179 -9.768 -2.224 1.00 31.42 H new ATOM 0 HA ALA A 17 -8.682 -9.651 -3.510 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -8.025 -7.327 -2.932 1.00 23.11 H new ATOM 0 HB2 ALA A 17 -9.321 -7.368 -4.150 1.00 23.11 H new ATOM 0 HB3 ALA A 17 -9.705 -6.982 -2.456 1.00 23.11 H new ATOM 273 N ARG A 18 -7.561 -9.234 -1.113 1.00 73.34 N ATOM 274 CA ARG A 18 -7.005 -9.511 0.219 1.00 3.33 C ATOM 275 C ARG A 18 -6.580 -8.215 0.935 1.00 32.12 C ATOM 276 O ARG A 18 -6.084 -7.275 0.312 1.00 15.53 O ATOM 277 CB ARG A 18 -5.834 -10.502 0.099 1.00 44.15 C ATOM 278 CG ARG A 18 -4.769 -10.094 -0.916 1.00 13.45 C ATOM 279 CD ARG A 18 -3.898 -11.277 -1.335 1.00 60.52 C ATOM 280 NE ARG A 18 -4.701 -12.352 -1.927 1.00 1.31 N ATOM 281 CZ ARG A 18 -4.302 -13.131 -2.899 1.00 55.02 C ATOM 282 NH1 ARG A 18 -3.136 -12.978 -3.440 1.00 70.32 N ATOM 283 NH2 ARG A 18 -5.093 -14.057 -3.336 1.00 54.21 N ATOM 0 H ARG A 18 -6.874 -8.911 -1.794 1.00 73.34 H new ATOM 0 HA ARG A 18 -7.783 -9.966 0.832 1.00 3.33 H new ATOM 0 HB2 ARG A 18 -5.365 -10.612 1.077 1.00 44.15 H new ATOM 0 HB3 ARG A 18 -6.228 -11.480 -0.178 1.00 44.15 H new ATOM 0 HG2 ARG A 18 -5.251 -9.668 -1.796 1.00 13.45 H new ATOM 0 HG3 ARG A 18 -4.140 -9.314 -0.488 1.00 13.45 H new ATOM 0 HD2 ARG A 18 -3.149 -10.943 -2.053 1.00 60.52 H new ATOM 0 HD3 ARG A 18 -3.359 -11.659 -0.468 1.00 60.52 H new ATOM 0 HE ARG A 18 -5.638 -12.503 -1.554 1.00 1.31 H new ATOM 0 HH11 ARG A 18 -2.513 -12.241 -3.109 1.00 70.32 H new ATOM 0 HH12 ARG A 18 -2.840 -13.594 -4.197 1.00 70.32 H new ATOM 0 HH21 ARG A 18 -6.018 -14.174 -2.923 1.00 54.21 H new ATOM 0 HH22 ARG A 18 -4.791 -14.670 -4.094 1.00 54.21 H new ATOM 297 N LYS A 19 -6.792 -8.172 2.246 1.00 20.21 N ATOM 298 CA LYS A 19 -6.551 -6.962 3.042 1.00 24.31 C ATOM 299 C LYS A 19 -5.219 -7.027 3.802 1.00 14.54 C ATOM 300 O LYS A 19 -4.881 -8.047 4.405 1.00 12.44 O ATOM 301 CB LYS A 19 -7.708 -6.768 4.031 1.00 72.05 C ATOM 302 CG LYS A 19 -9.063 -6.581 3.353 1.00 61.10 C ATOM 303 CD LYS A 19 -10.222 -6.706 4.343 1.00 40.40 C ATOM 304 CE LYS A 19 -10.169 -5.650 5.439 1.00 24.51 C ATOM 305 NZ LYS A 19 -11.299 -5.791 6.393 1.00 73.14 N ATOM 0 H LYS A 19 -7.133 -8.966 2.789 1.00 20.21 H new ATOM 0 HA LYS A 19 -6.493 -6.115 2.358 1.00 24.31 H new ATOM 0 HB2 LYS A 19 -7.758 -7.632 4.693 1.00 72.05 H new ATOM 0 HB3 LYS A 19 -7.500 -5.899 4.656 1.00 72.05 H new ATOM 0 HG2 LYS A 19 -9.098 -5.601 2.876 1.00 61.10 H new ATOM 0 HG3 LYS A 19 -9.179 -7.324 2.564 1.00 61.10 H new ATOM 0 HD2 LYS A 19 -11.166 -6.620 3.805 1.00 40.40 H new ATOM 0 HD3 LYS A 19 -10.203 -7.697 4.796 1.00 40.40 H new ATOM 0 HE2 LYS A 19 -9.225 -5.732 5.978 1.00 24.51 H new ATOM 0 HE3 LYS A 19 -10.194 -4.657 4.989 1.00 24.51 H new ATOM 0 HZ1 LYS A 19 -11.229 -5.055 7.125 1.00 73.14 H new ATOM 0 HZ2 LYS A 19 -12.199 -5.688 5.883 1.00 73.14 H new ATOM 0 HZ3 LYS A 19 -11.260 -6.729 6.841 1.00 73.14 H new ATOM 319 N VAL A 20 -4.470 -5.928 3.777 1.00 43.13 N ATOM 320 CA VAL A 20 -3.191 -5.835 4.492 1.00 44.33 C ATOM 321 C VAL A 20 -3.141 -4.587 5.392 1.00 73.14 C ATOM 322 O VAL A 20 -3.567 -3.502 4.997 1.00 55.44 O ATOM 323 CB VAL A 20 -1.990 -5.811 3.507 1.00 2.11 C ATOM 324 CG1 VAL A 20 -1.867 -7.145 2.769 1.00 44.44 C ATOM 325 CG2 VAL A 20 -2.121 -4.655 2.515 1.00 32.13 C ATOM 0 H VAL A 20 -4.725 -5.082 3.267 1.00 43.13 H new ATOM 0 HA VAL A 20 -3.115 -6.724 5.117 1.00 44.33 H new ATOM 0 HB VAL A 20 -1.081 -5.657 4.088 1.00 2.11 H new ATOM 0 HG11 VAL A 20 -1.020 -7.105 2.085 1.00 44.44 H new ATOM 0 HG12 VAL A 20 -1.714 -7.947 3.491 1.00 44.44 H new ATOM 0 HG13 VAL A 20 -2.780 -7.334 2.205 1.00 44.44 H new ATOM 0 HG21 VAL A 20 -1.268 -4.660 1.836 1.00 32.13 H new ATOM 0 HG22 VAL A 20 -3.041 -4.770 1.942 1.00 32.13 H new ATOM 0 HG23 VAL A 20 -2.147 -3.710 3.058 1.00 32.13 H new ATOM 335 N ARG A 21 -2.632 -4.754 6.607 1.00 11.02 N ATOM 336 CA ARG A 21 -2.513 -3.648 7.563 1.00 13.04 C ATOM 337 C ARG A 21 -1.122 -3.002 7.482 1.00 31.42 C ATOM 338 O ARG A 21 -0.106 -3.698 7.479 1.00 73.40 O ATOM 339 CB ARG A 21 -2.766 -4.162 8.989 1.00 53.34 C ATOM 340 CG ARG A 21 -2.770 -3.065 10.047 1.00 40.31 C ATOM 341 CD ARG A 21 -2.931 -3.635 11.453 1.00 70.23 C ATOM 342 NE ARG A 21 -3.043 -2.581 12.461 1.00 21.41 N ATOM 343 CZ ARG A 21 -2.200 -2.396 13.444 1.00 43.02 C ATOM 344 NH1 ARG A 21 -1.163 -3.165 13.587 1.00 34.44 N ATOM 345 NH2 ARG A 21 -2.411 -1.441 14.290 1.00 65.31 N ATOM 0 H ARG A 21 -2.292 -5.649 6.959 1.00 11.02 H new ATOM 0 HA ARG A 21 -3.258 -2.894 7.311 1.00 13.04 H new ATOM 0 HB2 ARG A 21 -3.724 -4.681 9.013 1.00 53.34 H new ATOM 0 HB3 ARG A 21 -2.000 -4.895 9.242 1.00 53.34 H new ATOM 0 HG2 ARG A 21 -1.840 -2.500 9.988 1.00 40.31 H new ATOM 0 HG3 ARG A 21 -3.581 -2.366 9.843 1.00 40.31 H new ATOM 0 HD2 ARG A 21 -3.818 -4.267 11.489 1.00 70.23 H new ATOM 0 HD3 ARG A 21 -2.077 -4.271 11.687 1.00 70.23 H new ATOM 0 HE ARG A 21 -3.836 -1.944 12.392 1.00 21.41 H new ATOM 0 HH11 ARG A 21 -0.997 -3.925 12.928 1.00 34.44 H new ATOM 0 HH12 ARG A 21 -0.514 -3.008 14.359 1.00 34.44 H new ATOM 0 HH21 ARG A 21 -3.229 -0.840 14.187 1.00 65.31 H new ATOM 0 HH22 ARG A 21 -1.760 -1.289 15.060 1.00 65.31 H new ATOM 359 N ALA A 22 -1.078 -1.676 7.414 1.00 53.41 N ATOM 360 CA ALA A 22 0.197 -0.953 7.365 1.00 62.43 C ATOM 361 C ALA A 22 0.865 -0.894 8.747 1.00 70.34 C ATOM 362 O ALA A 22 0.288 -0.375 9.702 1.00 60.21 O ATOM 363 CB ALA A 22 -0.018 0.455 6.822 1.00 13.31 C ATOM 0 H ALA A 22 -1.904 -1.078 7.391 1.00 53.41 H new ATOM 0 HA ALA A 22 0.864 -1.497 6.696 1.00 62.43 H new ATOM 0 HB1 ALA A 22 0.935 0.982 6.790 1.00 13.31 H new ATOM 0 HB2 ALA A 22 -0.435 0.397 5.816 1.00 13.31 H new ATOM 0 HB3 ALA A 22 -0.709 0.994 7.471 1.00 13.31 H new ATOM 369 N ILE A 23 2.084 -1.425 8.848 1.00 53.10 N ATOM 370 CA ILE A 23 2.835 -1.398 10.111 1.00 15.41 C ATOM 371 C ILE A 23 3.824 -0.221 10.157 1.00 24.24 C ATOM 372 O ILE A 23 4.172 0.273 11.231 1.00 63.41 O ATOM 373 CB ILE A 23 3.592 -2.730 10.359 1.00 45.32 C ATOM 374 CG1 ILE A 23 4.499 -3.080 9.165 1.00 14.41 C ATOM 375 CG2 ILE A 23 2.602 -3.860 10.640 1.00 50.24 C ATOM 376 CD1 ILE A 23 5.287 -4.365 9.345 1.00 13.52 C ATOM 0 H ILE A 23 2.574 -1.878 8.076 1.00 53.10 H new ATOM 0 HA ILE A 23 2.100 -1.266 10.905 1.00 15.41 H new ATOM 0 HB ILE A 23 4.229 -2.604 11.235 1.00 45.32 H new ATOM 0 HG12 ILE A 23 3.885 -3.165 8.268 1.00 14.41 H new ATOM 0 HG13 ILE A 23 5.196 -2.259 8.998 1.00 14.41 H new ATOM 0 HG21 ILE A 23 3.148 -4.788 10.812 1.00 50.24 H new ATOM 0 HG22 ILE A 23 2.013 -3.616 11.524 1.00 50.24 H new ATOM 0 HG23 ILE A 23 1.938 -3.983 9.784 1.00 50.24 H new ATOM 0 HD11 ILE A 23 5.901 -4.542 8.462 1.00 13.52 H new ATOM 0 HD12 ILE A 23 5.929 -4.279 10.222 1.00 13.52 H new ATOM 0 HD13 ILE A 23 4.598 -5.198 9.481 1.00 13.52 H new ATOM 388 N TYR A 24 4.272 0.228 8.987 1.00 54.32 N ATOM 389 CA TYR A 24 5.136 1.412 8.881 1.00 43.53 C ATOM 390 C TYR A 24 4.507 2.449 7.944 1.00 14.35 C ATOM 391 O TYR A 24 3.912 2.092 6.927 1.00 31.12 O ATOM 392 CB TYR A 24 6.531 1.028 8.364 1.00 12.35 C ATOM 393 CG TYR A 24 7.238 -0.006 9.219 1.00 4.41 C ATOM 394 CD1 TYR A 24 7.528 0.247 10.555 1.00 23.11 C ATOM 395 CD2 TYR A 24 7.608 -1.240 8.691 1.00 52.30 C ATOM 396 CE1 TYR A 24 8.165 -0.696 11.337 1.00 63.32 C ATOM 397 CE2 TYR A 24 8.243 -2.186 9.467 1.00 71.12 C ATOM 398 CZ TYR A 24 8.519 -1.909 10.787 1.00 34.45 C ATOM 399 OH TYR A 24 9.148 -2.853 11.567 1.00 42.24 O ATOM 0 H TYR A 24 4.052 -0.209 8.092 1.00 54.32 H new ATOM 0 HA TYR A 24 5.239 1.843 9.877 1.00 43.53 H new ATOM 0 HB2 TYR A 24 6.439 0.644 7.348 1.00 12.35 H new ATOM 0 HB3 TYR A 24 7.148 1.925 8.311 1.00 12.35 H new ATOM 0 HD1 TYR A 24 7.251 1.197 10.988 1.00 23.11 H new ATOM 0 HD2 TYR A 24 7.394 -1.460 7.656 1.00 52.30 H new ATOM 0 HE1 TYR A 24 8.384 -0.484 12.373 1.00 63.32 H new ATOM 0 HE2 TYR A 24 8.522 -3.139 9.042 1.00 71.12 H new ATOM 0 HH TYR A 24 9.329 -3.653 11.030 1.00 42.24 H new ATOM 409 N ASP A 25 4.628 3.728 8.291 1.00 62.30 N ATOM 410 CA ASP A 25 4.074 4.797 7.459 1.00 50.13 C ATOM 411 C ASP A 25 5.055 5.199 6.343 1.00 74.43 C ATOM 412 O ASP A 25 6.198 5.582 6.599 1.00 31.24 O ATOM 413 CB ASP A 25 3.690 6.016 8.317 1.00 34.21 C ATOM 414 CG ASP A 25 4.867 6.623 9.057 1.00 71.13 C ATOM 415 OD1 ASP A 25 5.253 6.083 10.114 1.00 0.55 O ATOM 416 OD2 ASP A 25 5.404 7.653 8.599 1.00 20.41 O ATOM 0 H ASP A 25 5.101 4.050 9.136 1.00 62.30 H new ATOM 0 HA ASP A 25 3.169 4.416 6.986 1.00 50.13 H new ATOM 0 HB2 ASP A 25 3.241 6.776 7.677 1.00 34.21 H new ATOM 0 HB3 ASP A 25 2.930 5.718 9.039 1.00 34.21 H new ATOM 421 N PHE A 26 4.597 5.087 5.101 1.00 45.12 N ATOM 422 CA PHE A 26 5.394 5.475 3.936 1.00 32.23 C ATOM 423 C PHE A 26 4.511 6.194 2.910 1.00 11.00 C ATOM 424 O PHE A 26 3.357 5.819 2.698 1.00 11.25 O ATOM 425 CB PHE A 26 6.061 4.242 3.309 1.00 33.31 C ATOM 426 CG PHE A 26 7.013 4.564 2.180 1.00 43.41 C ATOM 427 CD1 PHE A 26 8.326 4.924 2.447 1.00 21.52 C ATOM 428 CD2 PHE A 26 6.592 4.509 0.856 1.00 34.02 C ATOM 429 CE1 PHE A 26 9.199 5.221 1.418 1.00 1.12 C ATOM 430 CE2 PHE A 26 7.463 4.806 -0.174 1.00 55.43 C ATOM 431 CZ PHE A 26 8.769 5.163 0.106 1.00 32.05 C ATOM 0 H PHE A 26 3.670 4.728 4.871 1.00 45.12 H new ATOM 0 HA PHE A 26 6.179 6.160 4.258 1.00 32.23 H new ATOM 0 HB2 PHE A 26 6.603 3.702 4.085 1.00 33.31 H new ATOM 0 HB3 PHE A 26 5.286 3.572 2.937 1.00 33.31 H new ATOM 0 HD1 PHE A 26 8.669 4.973 3.470 1.00 21.52 H new ATOM 0 HD2 PHE A 26 5.573 4.231 0.631 1.00 34.02 H new ATOM 0 HE1 PHE A 26 10.219 5.499 1.639 1.00 1.12 H new ATOM 0 HE2 PHE A 26 7.124 4.759 -1.198 1.00 55.43 H new ATOM 0 HZ PHE A 26 9.451 5.396 -0.698 1.00 32.05 H new ATOM 441 N GLU A 27 5.054 7.229 2.278 1.00 44.24 N ATOM 442 CA GLU A 27 4.271 8.077 1.377 1.00 45.34 C ATOM 443 C GLU A 27 4.844 8.085 -0.049 1.00 70.21 C ATOM 444 O GLU A 27 6.044 7.885 -0.254 1.00 25.43 O ATOM 445 CB GLU A 27 4.202 9.493 1.964 1.00 44.24 C ATOM 446 CG GLU A 27 3.576 9.514 3.359 1.00 60.32 C ATOM 447 CD GLU A 27 3.581 10.883 4.011 1.00 21.23 C ATOM 448 OE1 GLU A 27 2.640 11.667 3.771 1.00 73.45 O ATOM 449 OE2 GLU A 27 4.510 11.166 4.800 1.00 2.44 O ATOM 0 H GLU A 27 6.032 7.503 2.371 1.00 44.24 H new ATOM 0 HA GLU A 27 3.263 7.669 1.295 1.00 45.34 H new ATOM 0 HB2 GLU A 27 5.207 9.913 2.013 1.00 44.24 H new ATOM 0 HB3 GLU A 27 3.622 10.132 1.298 1.00 44.24 H new ATOM 0 HG2 GLU A 27 2.548 9.158 3.291 1.00 60.32 H new ATOM 0 HG3 GLU A 27 4.114 8.815 3.999 1.00 60.32 H new ATOM 456 N ALA A 28 3.970 8.329 -1.021 1.00 11.41 N ATOM 457 CA ALA A 28 4.311 8.223 -2.443 1.00 70.10 C ATOM 458 C ALA A 28 5.404 9.207 -2.879 1.00 35.23 C ATOM 459 O ALA A 28 5.238 10.426 -2.786 1.00 75.41 O ATOM 460 CB ALA A 28 3.058 8.436 -3.289 1.00 3.40 C ATOM 0 H ALA A 28 3.004 8.606 -0.849 1.00 11.41 H new ATOM 0 HA ALA A 28 4.711 7.221 -2.597 1.00 70.10 H new ATOM 0 HB1 ALA A 28 3.314 8.357 -4.345 1.00 3.40 H new ATOM 0 HB2 ALA A 28 2.316 7.678 -3.038 1.00 3.40 H new ATOM 0 HB3 ALA A 28 2.648 9.426 -3.089 1.00 3.40 H new ATOM 466 N ALA A 29 6.522 8.667 -3.355 1.00 30.31 N ATOM 467 CA ALA A 29 7.568 9.472 -3.986 1.00 43.51 C ATOM 468 C ALA A 29 7.270 9.633 -5.485 1.00 4.20 C ATOM 469 O ALA A 29 7.529 10.678 -6.085 1.00 12.10 O ATOM 470 CB ALA A 29 8.932 8.826 -3.776 1.00 61.32 C ATOM 0 H ALA A 29 6.729 7.669 -3.316 1.00 30.31 H new ATOM 0 HA ALA A 29 7.584 10.459 -3.525 1.00 43.51 H new ATOM 0 HB1 ALA A 29 9.700 9.436 -4.251 1.00 61.32 H new ATOM 0 HB2 ALA A 29 9.138 8.749 -2.708 1.00 61.32 H new ATOM 0 HB3 ALA A 29 8.935 7.830 -4.218 1.00 61.32 H new ATOM 476 N GLU A 30 6.720 8.572 -6.076 1.00 71.41 N ATOM 477 CA GLU A 30 6.253 8.585 -7.464 1.00 71.24 C ATOM 478 C GLU A 30 4.721 8.648 -7.519 1.00 53.41 C ATOM 479 O GLU A 30 4.035 8.137 -6.635 1.00 11.15 O ATOM 480 CB GLU A 30 6.747 7.335 -8.203 1.00 43.42 C ATOM 481 CG GLU A 30 8.252 7.313 -8.447 1.00 33.34 C ATOM 482 CD GLU A 30 8.706 8.436 -9.367 1.00 50.40 C ATOM 483 OE1 GLU A 30 8.423 8.364 -10.583 1.00 32.21 O ATOM 484 OE2 GLU A 30 9.348 9.390 -8.884 1.00 54.41 O ATOM 0 H GLU A 30 6.585 7.677 -5.605 1.00 71.41 H new ATOM 0 HA GLU A 30 6.658 9.472 -7.951 1.00 71.24 H new ATOM 0 HB2 GLU A 30 6.470 6.452 -7.627 1.00 43.42 H new ATOM 0 HB3 GLU A 30 6.233 7.265 -9.162 1.00 43.42 H new ATOM 0 HG2 GLU A 30 8.773 7.395 -7.493 1.00 33.34 H new ATOM 0 HG3 GLU A 30 8.533 6.354 -8.882 1.00 33.34 H new ATOM 491 N ASP A 31 4.188 9.253 -8.576 1.00 61.52 N ATOM 492 CA ASP A 31 2.735 9.444 -8.720 1.00 73.02 C ATOM 493 C ASP A 31 1.967 8.109 -8.702 1.00 73.13 C ATOM 494 O ASP A 31 0.800 8.052 -8.309 1.00 13.15 O ATOM 495 CB ASP A 31 2.446 10.185 -10.024 1.00 3.15 C ATOM 496 CG ASP A 31 3.352 11.385 -10.201 1.00 3.34 C ATOM 497 OD1 ASP A 31 3.018 12.472 -9.694 1.00 65.42 O ATOM 498 OD2 ASP A 31 4.422 11.238 -10.831 1.00 75.53 O ATOM 0 H ASP A 31 4.737 9.623 -9.352 1.00 61.52 H new ATOM 0 HA ASP A 31 2.392 10.030 -7.867 1.00 73.02 H new ATOM 0 HB2 ASP A 31 2.576 9.504 -10.865 1.00 3.15 H new ATOM 0 HB3 ASP A 31 1.406 10.510 -10.035 1.00 3.15 H new ATOM 503 N ASN A 32 2.635 7.040 -9.133 1.00 54.21 N ATOM 504 CA ASN A 32 2.026 5.707 -9.209 1.00 60.52 C ATOM 505 C ASN A 32 1.962 5.006 -7.838 1.00 22.50 C ATOM 506 O ASN A 32 1.406 3.917 -7.722 1.00 63.01 O ATOM 507 CB ASN A 32 2.810 4.837 -10.200 1.00 62.13 C ATOM 508 CG ASN A 32 4.276 4.718 -9.817 1.00 43.40 C ATOM 509 OD1 ASN A 32 5.109 5.510 -10.242 1.00 5.31 O ATOM 510 ND2 ASN A 32 4.600 3.738 -8.996 1.00 14.20 N ATOM 0 H ASN A 32 3.608 7.070 -9.438 1.00 54.21 H new ATOM 0 HA ASN A 32 1.000 5.839 -9.552 1.00 60.52 H new ATOM 0 HB2 ASN A 32 2.364 3.843 -10.241 1.00 62.13 H new ATOM 0 HB3 ASN A 32 2.730 5.264 -11.200 1.00 62.13 H new ATOM 0 HD21 ASN A 32 5.568 3.623 -8.697 1.00 14.20 H new ATOM 0 HD22 ASN A 32 3.882 3.096 -8.660 1.00 14.20 H new ATOM 517 N GLU A 33 2.542 5.619 -6.807 1.00 31.24 N ATOM 518 CA GLU A 33 2.544 5.033 -5.456 1.00 72.21 C ATOM 519 C GLU A 33 1.363 5.549 -4.613 1.00 40.35 C ATOM 520 O GLU A 33 0.733 6.551 -4.954 1.00 42.14 O ATOM 521 CB GLU A 33 3.871 5.326 -4.741 1.00 65.25 C ATOM 522 CG GLU A 33 5.097 4.750 -5.445 1.00 3.40 C ATOM 523 CD GLU A 33 6.376 4.955 -4.643 1.00 3.24 C ATOM 524 OE1 GLU A 33 6.907 6.086 -4.645 1.00 14.44 O ATOM 525 OE2 GLU A 33 6.850 3.988 -4.008 1.00 15.00 O ATOM 0 H GLU A 33 3.017 6.519 -6.875 1.00 31.24 H new ATOM 0 HA GLU A 33 2.432 3.955 -5.568 1.00 72.21 H new ATOM 0 HB2 GLU A 33 3.991 6.405 -4.649 1.00 65.25 H new ATOM 0 HB3 GLU A 33 3.823 4.923 -3.729 1.00 65.25 H new ATOM 0 HG2 GLU A 33 4.946 3.684 -5.618 1.00 3.40 H new ATOM 0 HG3 GLU A 33 5.205 5.219 -6.423 1.00 3.40 H new ATOM 532 N LEU A 34 1.061 4.853 -3.517 1.00 65.54 N ATOM 533 CA LEU A 34 -0.070 5.214 -2.647 1.00 54.22 C ATOM 534 C LEU A 34 0.422 5.837 -1.320 1.00 25.42 C ATOM 535 O LEU A 34 1.282 5.277 -0.642 1.00 44.23 O ATOM 536 CB LEU A 34 -0.926 3.962 -2.364 1.00 10.21 C ATOM 537 CG LEU A 34 -2.454 4.175 -2.348 1.00 64.23 C ATOM 538 CD1 LEU A 34 -3.175 2.865 -2.037 1.00 3.43 C ATOM 539 CD2 LEU A 34 -2.859 5.260 -1.353 1.00 33.03 C ATOM 0 H LEU A 34 1.582 4.033 -3.206 1.00 65.54 H new ATOM 0 HA LEU A 34 -0.677 5.960 -3.161 1.00 54.22 H new ATOM 0 HB2 LEU A 34 -0.692 3.209 -3.117 1.00 10.21 H new ATOM 0 HB3 LEU A 34 -0.626 3.552 -1.399 1.00 10.21 H new ATOM 0 HG LEU A 34 -2.752 4.510 -3.342 1.00 64.23 H new ATOM 0 HD11 LEU A 34 -4.252 3.035 -2.030 1.00 3.43 H new ATOM 0 HD12 LEU A 34 -2.929 2.125 -2.799 1.00 3.43 H new ATOM 0 HD13 LEU A 34 -2.859 2.499 -1.060 1.00 3.43 H new ATOM 0 HD21 LEU A 34 -3.942 5.383 -1.369 1.00 33.03 H new ATOM 0 HD22 LEU A 34 -2.541 4.972 -0.351 1.00 33.03 H new ATOM 0 HD23 LEU A 34 -2.383 6.201 -1.628 1.00 33.03 H new ATOM 551 N THR A 35 -0.141 6.989 -0.953 1.00 45.33 N ATOM 552 CA THR A 35 0.242 7.697 0.282 1.00 35.42 C ATOM 553 C THR A 35 -0.730 7.418 1.444 1.00 34.34 C ATOM 554 O THR A 35 -1.914 7.758 1.375 1.00 1.22 O ATOM 555 CB THR A 35 0.319 9.230 0.050 1.00 64.44 C ATOM 556 OG1 THR A 35 1.384 9.536 -0.862 1.00 3.21 O ATOM 557 CG2 THR A 35 0.536 9.989 1.356 1.00 2.11 C ATOM 0 H THR A 35 -0.868 7.458 -1.493 1.00 45.33 H new ATOM 0 HA THR A 35 1.226 7.315 0.554 1.00 35.42 H new ATOM 0 HB THR A 35 -0.635 9.546 -0.372 1.00 64.44 H new ATOM 0 HG1 THR A 35 1.425 10.505 -1.004 1.00 3.21 H new ATOM 0 HG21 THR A 35 0.584 11.059 1.152 1.00 2.11 H new ATOM 0 HG22 THR A 35 -0.291 9.787 2.036 1.00 2.11 H new ATOM 0 HG23 THR A 35 1.470 9.665 1.814 1.00 2.11 H new ATOM 565 N PHE A 36 -0.215 6.811 2.516 1.00 51.41 N ATOM 566 CA PHE A 36 -1.007 6.547 3.726 1.00 14.23 C ATOM 567 C PHE A 36 -0.106 6.311 4.953 1.00 34.21 C ATOM 568 O PHE A 36 1.103 6.118 4.821 1.00 70.50 O ATOM 569 CB PHE A 36 -1.946 5.345 3.509 1.00 4.45 C ATOM 570 CG PHE A 36 -1.249 4.094 3.031 1.00 54.42 C ATOM 571 CD1 PHE A 36 -1.077 3.857 1.673 1.00 11.21 C ATOM 572 CD2 PHE A 36 -0.777 3.152 3.934 1.00 42.23 C ATOM 573 CE1 PHE A 36 -0.451 2.712 1.226 1.00 73.24 C ATOM 574 CE2 PHE A 36 -0.151 2.003 3.488 1.00 21.23 C ATOM 575 CZ PHE A 36 0.012 1.784 2.133 1.00 73.42 C ATOM 0 H PHE A 36 0.752 6.491 2.573 1.00 51.41 H new ATOM 0 HA PHE A 36 -1.611 7.433 3.923 1.00 14.23 H new ATOM 0 HB2 PHE A 36 -2.460 5.126 4.445 1.00 4.45 H new ATOM 0 HB3 PHE A 36 -2.710 5.622 2.783 1.00 4.45 H new ATOM 0 HD1 PHE A 36 -1.439 4.580 0.957 1.00 11.21 H new ATOM 0 HD2 PHE A 36 -0.900 3.318 4.994 1.00 42.23 H new ATOM 0 HE1 PHE A 36 -0.324 2.543 0.167 1.00 73.24 H new ATOM 0 HE2 PHE A 36 0.211 1.275 4.199 1.00 21.23 H new ATOM 0 HZ PHE A 36 0.502 0.886 1.786 1.00 73.42 H new ATOM 585 N LYS A 37 -0.702 6.329 6.146 1.00 73.31 N ATOM 586 CA LYS A 37 0.048 6.144 7.399 1.00 42.54 C ATOM 587 C LYS A 37 -0.168 4.744 8.009 1.00 43.11 C ATOM 588 O LYS A 37 -1.022 3.975 7.564 1.00 52.04 O ATOM 589 CB LYS A 37 -0.339 7.227 8.428 1.00 1.14 C ATOM 590 CG LYS A 37 0.521 8.496 8.381 1.00 32.33 C ATOM 591 CD LYS A 37 0.364 9.280 7.078 1.00 35.33 C ATOM 592 CE LYS A 37 1.210 10.556 7.089 1.00 12.21 C ATOM 593 NZ LYS A 37 1.028 11.371 5.853 1.00 51.31 N ATOM 0 H LYS A 37 -1.704 6.470 6.276 1.00 73.31 H new ATOM 0 HA LYS A 37 1.105 6.238 7.151 1.00 42.54 H new ATOM 0 HB2 LYS A 37 -1.381 7.505 8.267 1.00 1.14 H new ATOM 0 HB3 LYS A 37 -0.274 6.798 9.428 1.00 1.14 H new ATOM 0 HG2 LYS A 37 0.254 9.139 9.219 1.00 32.33 H new ATOM 0 HG3 LYS A 37 1.568 8.223 8.509 1.00 32.33 H new ATOM 0 HD2 LYS A 37 0.659 8.653 6.237 1.00 35.33 H new ATOM 0 HD3 LYS A 37 -0.685 9.538 6.931 1.00 35.33 H new ATOM 0 HE2 LYS A 37 0.945 11.157 7.959 1.00 12.21 H new ATOM 0 HE3 LYS A 37 2.262 10.290 7.194 1.00 12.21 H new ATOM 0 HZ1 LYS A 37 1.946 11.757 5.553 1.00 51.31 H new ATOM 0 HZ2 LYS A 37 0.640 10.772 5.096 1.00 51.31 H new ATOM 0 HZ3 LYS A 37 0.371 12.153 6.047 1.00 51.31 H new ATOM 607 N ALA A 38 0.615 4.433 9.045 1.00 63.11 N ATOM 608 CA ALA A 38 0.530 3.140 9.739 1.00 40.14 C ATOM 609 C ALA A 38 -0.780 3.000 10.535 1.00 60.40 C ATOM 610 O ALA A 38 -1.317 3.984 11.052 1.00 35.05 O ATOM 611 CB ALA A 38 1.737 2.954 10.655 1.00 23.35 C ATOM 0 H ALA A 38 1.321 5.063 9.426 1.00 63.11 H new ATOM 0 HA ALA A 38 0.533 2.357 8.981 1.00 40.14 H new ATOM 0 HB1 ALA A 38 1.663 1.993 11.164 1.00 23.35 H new ATOM 0 HB2 ALA A 38 2.651 2.981 10.062 1.00 23.35 H new ATOM 0 HB3 ALA A 38 1.760 3.755 11.394 1.00 23.35 H new ATOM 617 N GLY A 39 -1.292 1.775 10.615 1.00 24.13 N ATOM 618 CA GLY A 39 -2.543 1.516 11.330 1.00 40.11 C ATOM 619 C GLY A 39 -3.746 1.408 10.400 1.00 13.24 C ATOM 620 O GLY A 39 -4.812 0.936 10.798 1.00 22.40 O ATOM 0 H GLY A 39 -0.865 0.949 10.197 1.00 24.13 H new ATOM 0 HA2 GLY A 39 -2.446 0.591 11.899 1.00 40.11 H new ATOM 0 HA3 GLY A 39 -2.717 2.316 12.049 1.00 40.11 H new ATOM 624 N GLU A 40 -3.571 1.843 9.155 1.00 14.12 N ATOM 625 CA GLU A 40 -4.650 1.810 8.164 1.00 54.15 C ATOM 626 C GLU A 40 -4.787 0.424 7.511 1.00 23.01 C ATOM 627 O GLU A 40 -3.821 -0.345 7.435 1.00 4.12 O ATOM 628 CB GLU A 40 -4.409 2.878 7.089 1.00 35.11 C ATOM 629 CG GLU A 40 -4.357 4.304 7.639 1.00 12.40 C ATOM 630 CD GLU A 40 -5.630 4.700 8.375 1.00 33.30 C ATOM 631 OE1 GLU A 40 -6.646 4.990 7.702 1.00 20.53 O ATOM 632 OE2 GLU A 40 -5.628 4.712 9.629 1.00 13.44 O ATOM 0 H GLU A 40 -2.692 2.224 8.805 1.00 14.12 H new ATOM 0 HA GLU A 40 -5.584 2.022 8.685 1.00 54.15 H new ATOM 0 HB2 GLU A 40 -3.471 2.661 6.578 1.00 35.11 H new ATOM 0 HB3 GLU A 40 -5.201 2.815 6.343 1.00 35.11 H new ATOM 0 HG2 GLU A 40 -3.508 4.397 8.316 1.00 12.40 H new ATOM 0 HG3 GLU A 40 -4.187 4.999 6.817 1.00 12.40 H new ATOM 639 N ILE A 41 -5.996 0.113 7.046 1.00 70.23 N ATOM 640 CA ILE A 41 -6.276 -1.164 6.377 1.00 12.40 C ATOM 641 C ILE A 41 -6.370 -0.988 4.853 1.00 12.14 C ATOM 642 O ILE A 41 -7.349 -0.438 4.338 1.00 21.24 O ATOM 643 CB ILE A 41 -7.594 -1.792 6.895 1.00 73.12 C ATOM 644 CG1 ILE A 41 -7.540 -1.976 8.420 1.00 24.31 C ATOM 645 CG2 ILE A 41 -7.875 -3.125 6.201 1.00 40.11 C ATOM 646 CD1 ILE A 41 -6.399 -2.851 8.897 1.00 4.51 C ATOM 0 H ILE A 41 -6.805 0.730 7.119 1.00 70.23 H new ATOM 0 HA ILE A 41 -5.445 -1.830 6.609 1.00 12.40 H new ATOM 0 HB ILE A 41 -8.411 -1.110 6.658 1.00 73.12 H new ATOM 0 HG12 ILE A 41 -7.454 -0.997 8.891 1.00 24.31 H new ATOM 0 HG13 ILE A 41 -8.482 -2.410 8.757 1.00 24.31 H new ATOM 0 HG21 ILE A 41 -8.806 -3.545 6.583 1.00 40.11 H new ATOM 0 HG22 ILE A 41 -7.963 -2.964 5.127 1.00 40.11 H new ATOM 0 HG23 ILE A 41 -7.057 -3.818 6.398 1.00 40.11 H new ATOM 0 HD11 ILE A 41 -6.431 -2.931 9.984 1.00 4.51 H new ATOM 0 HD12 ILE A 41 -6.494 -3.844 8.457 1.00 4.51 H new ATOM 0 HD13 ILE A 41 -5.450 -2.409 8.594 1.00 4.51 H new ATOM 658 N ILE A 42 -5.355 -1.467 4.137 1.00 12.22 N ATOM 659 CA ILE A 42 -5.286 -1.319 2.678 1.00 3.34 C ATOM 660 C ILE A 42 -5.722 -2.608 1.964 1.00 73.32 C ATOM 661 O ILE A 42 -5.218 -3.692 2.257 1.00 42.12 O ATOM 662 CB ILE A 42 -3.847 -0.955 2.204 1.00 33.10 C ATOM 663 CG1 ILE A 42 -3.331 0.324 2.895 1.00 2.45 C ATOM 664 CG2 ILE A 42 -3.803 -0.791 0.683 1.00 53.00 C ATOM 665 CD1 ILE A 42 -2.902 0.123 4.336 1.00 42.02 C ATOM 0 H ILE A 42 -4.563 -1.965 4.543 1.00 12.22 H new ATOM 0 HA ILE A 42 -5.967 -0.508 2.420 1.00 3.34 H new ATOM 0 HB ILE A 42 -3.191 -1.778 2.487 1.00 33.10 H new ATOM 0 HG12 ILE A 42 -2.486 0.714 2.327 1.00 2.45 H new ATOM 0 HG13 ILE A 42 -4.114 1.082 2.863 1.00 2.45 H new ATOM 0 HG21 ILE A 42 -2.789 -0.537 0.374 1.00 53.00 H new ATOM 0 HG22 ILE A 42 -4.104 -1.724 0.208 1.00 53.00 H new ATOM 0 HG23 ILE A 42 -4.484 0.005 0.383 1.00 53.00 H new ATOM 0 HD11 ILE A 42 -2.553 1.070 4.747 1.00 42.02 H new ATOM 0 HD12 ILE A 42 -3.749 -0.237 4.921 1.00 42.02 H new ATOM 0 HD13 ILE A 42 -2.096 -0.609 4.377 1.00 42.02 H new ATOM 677 N THR A 43 -6.654 -2.487 1.027 1.00 23.01 N ATOM 678 CA THR A 43 -7.072 -3.635 0.210 1.00 25.44 C ATOM 679 C THR A 43 -6.150 -3.782 -1.006 1.00 10.13 C ATOM 680 O THR A 43 -6.218 -2.984 -1.941 1.00 43.33 O ATOM 681 CB THR A 43 -8.534 -3.471 -0.292 1.00 35.10 C ATOM 682 OG1 THR A 43 -9.415 -3.179 0.801 1.00 5.25 O ATOM 683 CG2 THR A 43 -9.013 -4.734 -1.005 1.00 54.13 C ATOM 0 H THR A 43 -7.136 -1.615 0.810 1.00 23.01 H new ATOM 0 HA THR A 43 -7.011 -4.523 0.839 1.00 25.44 H new ATOM 0 HB THR A 43 -8.548 -2.640 -0.997 1.00 35.10 H new ATOM 0 HG1 THR A 43 -10.330 -3.078 0.465 1.00 5.25 H new ATOM 0 HG21 THR A 43 -10.039 -4.593 -1.346 1.00 54.13 H new ATOM 0 HG22 THR A 43 -8.370 -4.934 -1.862 1.00 54.13 H new ATOM 0 HG23 THR A 43 -8.973 -5.578 -0.316 1.00 54.13 H new ATOM 691 N VAL A 44 -5.290 -4.799 -1.008 1.00 22.25 N ATOM 692 CA VAL A 44 -4.350 -4.988 -2.120 1.00 55.40 C ATOM 693 C VAL A 44 -5.005 -5.769 -3.275 1.00 64.01 C ATOM 694 O VAL A 44 -5.326 -6.954 -3.156 1.00 34.50 O ATOM 695 CB VAL A 44 -3.026 -5.665 -1.665 1.00 24.25 C ATOM 696 CG1 VAL A 44 -3.281 -7.004 -0.987 1.00 30.35 C ATOM 697 CG2 VAL A 44 -2.064 -5.823 -2.844 1.00 65.20 C ATOM 0 H VAL A 44 -5.221 -5.496 -0.267 1.00 22.25 H new ATOM 0 HA VAL A 44 -4.089 -3.995 -2.486 1.00 55.40 H new ATOM 0 HB VAL A 44 -2.560 -5.011 -0.927 1.00 24.25 H new ATOM 0 HG11 VAL A 44 -2.331 -7.445 -0.684 1.00 30.35 H new ATOM 0 HG12 VAL A 44 -3.908 -6.853 -0.108 1.00 30.35 H new ATOM 0 HG13 VAL A 44 -3.786 -7.674 -1.683 1.00 30.35 H new ATOM 0 HG21 VAL A 44 -1.145 -6.299 -2.502 1.00 65.20 H new ATOM 0 HG22 VAL A 44 -2.529 -6.441 -3.612 1.00 65.20 H new ATOM 0 HG23 VAL A 44 -1.832 -4.842 -3.259 1.00 65.20 H new ATOM 707 N LEU A 45 -5.220 -5.075 -4.392 1.00 4.44 N ATOM 708 CA LEU A 45 -5.927 -5.641 -5.546 1.00 1.42 C ATOM 709 C LEU A 45 -5.008 -6.533 -6.393 1.00 64.51 C ATOM 710 O LEU A 45 -5.392 -7.633 -6.797 1.00 25.22 O ATOM 711 CB LEU A 45 -6.503 -4.510 -6.411 1.00 44.21 C ATOM 712 CG LEU A 45 -7.411 -3.510 -5.665 1.00 72.42 C ATOM 713 CD1 LEU A 45 -7.958 -2.452 -6.619 1.00 23.12 C ATOM 714 CD2 LEU A 45 -8.550 -4.238 -4.955 1.00 34.41 C ATOM 0 H LEU A 45 -4.913 -4.112 -4.525 1.00 4.44 H new ATOM 0 HA LEU A 45 -6.738 -6.263 -5.169 1.00 1.42 H new ATOM 0 HB2 LEU A 45 -5.676 -3.960 -6.860 1.00 44.21 H new ATOM 0 HB3 LEU A 45 -7.072 -4.953 -7.228 1.00 44.21 H new ATOM 0 HG LEU A 45 -6.807 -3.005 -4.911 1.00 72.42 H new ATOM 0 HD11 LEU A 45 -8.595 -1.760 -6.068 1.00 23.12 H new ATOM 0 HD12 LEU A 45 -7.130 -1.904 -7.068 1.00 23.12 H new ATOM 0 HD13 LEU A 45 -8.541 -2.935 -7.403 1.00 23.12 H new ATOM 0 HD21 LEU A 45 -9.177 -3.513 -4.436 1.00 34.41 H new ATOM 0 HD22 LEU A 45 -9.150 -4.778 -5.688 1.00 34.41 H new ATOM 0 HD23 LEU A 45 -8.137 -4.943 -4.234 1.00 34.41 H new ATOM 726 N ASP A 46 -3.797 -6.054 -6.660 1.00 22.22 N ATOM 727 CA ASP A 46 -2.831 -6.798 -7.469 1.00 50.20 C ATOM 728 C ASP A 46 -1.515 -7.005 -6.703 1.00 54.21 C ATOM 729 O ASP A 46 -0.671 -6.107 -6.629 1.00 40.33 O ATOM 730 CB ASP A 46 -2.569 -6.059 -8.791 1.00 62.14 C ATOM 731 CG ASP A 46 -1.731 -6.874 -9.767 1.00 62.52 C ATOM 732 OD1 ASP A 46 -0.493 -6.913 -9.612 1.00 50.42 O ATOM 733 OD2 ASP A 46 -2.303 -7.470 -10.707 1.00 32.11 O ATOM 0 H ASP A 46 -3.458 -5.151 -6.328 1.00 22.22 H new ATOM 0 HA ASP A 46 -3.252 -7.779 -7.689 1.00 50.20 H new ATOM 0 HB2 ASP A 46 -3.522 -5.810 -9.258 1.00 62.14 H new ATOM 0 HB3 ASP A 46 -2.061 -5.118 -8.581 1.00 62.14 H new ATOM 738 N ASP A 47 -1.367 -8.181 -6.107 1.00 13.32 N ATOM 739 CA ASP A 47 -0.126 -8.565 -5.432 1.00 44.25 C ATOM 740 C ASP A 47 0.603 -9.668 -6.221 1.00 5.12 C ATOM 741 O ASP A 47 1.388 -10.438 -5.667 1.00 2.40 O ATOM 742 CB ASP A 47 -0.439 -9.022 -4.001 1.00 33.00 C ATOM 743 CG ASP A 47 -1.463 -10.144 -3.947 1.00 41.33 C ATOM 744 OD1 ASP A 47 -2.638 -9.902 -4.299 1.00 75.12 O ATOM 745 OD2 ASP A 47 -1.098 -11.272 -3.547 1.00 51.33 O ATOM 0 H ASP A 47 -2.096 -8.894 -6.076 1.00 13.32 H new ATOM 0 HA ASP A 47 0.538 -7.702 -5.385 1.00 44.25 H new ATOM 0 HB2 ASP A 47 0.482 -9.355 -3.522 1.00 33.00 H new ATOM 0 HB3 ASP A 47 -0.808 -8.172 -3.427 1.00 33.00 H new ATOM 750 N SER A 48 0.364 -9.689 -7.538 1.00 62.50 N ATOM 751 CA SER A 48 0.913 -10.724 -8.435 1.00 42.24 C ATOM 752 C SER A 48 2.442 -10.843 -8.328 1.00 74.44 C ATOM 753 O SER A 48 3.011 -11.917 -8.530 1.00 34.14 O ATOM 754 CB SER A 48 0.524 -10.411 -9.888 1.00 44.05 C ATOM 755 OG SER A 48 0.959 -11.428 -10.778 1.00 51.02 O ATOM 0 H SER A 48 -0.212 -8.995 -8.014 1.00 62.50 H new ATOM 0 HA SER A 48 0.487 -11.679 -8.126 1.00 42.24 H new ATOM 0 HB2 SER A 48 -0.558 -10.303 -9.960 1.00 44.05 H new ATOM 0 HB3 SER A 48 0.960 -9.457 -10.184 1.00 44.05 H new ATOM 0 HG SER A 48 0.694 -11.198 -11.693 1.00 51.02 H new ATOM 761 N ASP A 49 3.103 -9.736 -8.005 1.00 13.32 N ATOM 762 CA ASP A 49 4.557 -9.719 -7.841 1.00 71.40 C ATOM 763 C ASP A 49 4.953 -9.238 -6.437 1.00 35.33 C ATOM 764 O ASP A 49 4.588 -8.137 -6.030 1.00 0.13 O ATOM 765 CB ASP A 49 5.193 -8.812 -8.898 1.00 2.25 C ATOM 766 CG ASP A 49 4.972 -9.329 -10.305 1.00 74.12 C ATOM 767 OD1 ASP A 49 5.806 -10.121 -10.790 1.00 50.13 O ATOM 768 OD2 ASP A 49 3.964 -8.954 -10.932 1.00 12.31 O ATOM 0 H ASP A 49 2.654 -8.833 -7.850 1.00 13.32 H new ATOM 0 HA ASP A 49 4.922 -10.738 -7.968 1.00 71.40 H new ATOM 0 HB2 ASP A 49 4.776 -7.809 -8.812 1.00 2.25 H new ATOM 0 HB3 ASP A 49 6.263 -8.730 -8.707 1.00 2.25 H new ATOM 773 N PRO A 50 5.734 -10.047 -5.685 1.00 15.13 N ATOM 774 CA PRO A 50 6.194 -9.678 -4.331 1.00 54.43 C ATOM 775 C PRO A 50 7.048 -8.398 -4.314 1.00 11.33 C ATOM 776 O PRO A 50 7.408 -7.896 -3.248 1.00 32.30 O ATOM 777 CB PRO A 50 7.025 -10.896 -3.887 1.00 42.42 C ATOM 778 CG PRO A 50 7.377 -11.605 -5.155 1.00 44.35 C ATOM 779 CD PRO A 50 6.220 -11.379 -6.085 1.00 72.20 C ATOM 0 HA PRO A 50 5.356 -9.454 -3.671 1.00 54.43 H new ATOM 0 HB2 PRO A 50 7.919 -10.588 -3.345 1.00 42.42 H new ATOM 0 HB3 PRO A 50 6.454 -11.541 -3.219 1.00 42.42 H new ATOM 0 HG2 PRO A 50 8.302 -11.213 -5.579 1.00 44.35 H new ATOM 0 HG3 PRO A 50 7.534 -12.669 -4.977 1.00 44.35 H new ATOM 0 HD2 PRO A 50 6.531 -11.399 -7.130 1.00 72.20 H new ATOM 0 HD3 PRO A 50 5.451 -12.142 -5.967 1.00 72.20 H new ATOM 787 N ASN A 51 7.382 -7.886 -5.498 1.00 34.45 N ATOM 788 CA ASN A 51 8.136 -6.634 -5.626 1.00 73.42 C ATOM 789 C ASN A 51 7.203 -5.419 -5.778 1.00 30.22 C ATOM 790 O ASN A 51 7.540 -4.315 -5.352 1.00 33.41 O ATOM 791 CB ASN A 51 9.078 -6.706 -6.831 1.00 4.25 C ATOM 792 CG ASN A 51 10.126 -7.797 -6.692 1.00 14.41 C ATOM 793 OD1 ASN A 51 10.576 -8.108 -5.595 1.00 41.31 O ATOM 794 ND2 ASN A 51 10.520 -8.391 -7.799 1.00 32.42 N ATOM 0 H ASN A 51 7.142 -8.320 -6.389 1.00 34.45 H new ATOM 0 HA ASN A 51 8.714 -6.507 -4.711 1.00 73.42 H new ATOM 0 HB2 ASN A 51 8.493 -6.882 -7.734 1.00 4.25 H new ATOM 0 HB3 ASN A 51 9.575 -5.744 -6.956 1.00 4.25 H new ATOM 0 HD21 ASN A 51 11.219 -9.133 -7.759 1.00 32.42 H new ATOM 0 HD22 ASN A 51 10.126 -8.109 -8.697 1.00 32.42 H new ATOM 801 N TRP A 52 6.031 -5.627 -6.386 1.00 33.42 N ATOM 802 CA TRP A 52 5.096 -4.529 -6.683 1.00 65.00 C ATOM 803 C TRP A 52 3.650 -4.892 -6.306 1.00 35.25 C ATOM 804 O TRP A 52 2.986 -5.662 -7.003 1.00 62.12 O ATOM 805 CB TRP A 52 5.159 -4.159 -8.175 1.00 2.40 C ATOM 806 CG TRP A 52 6.482 -3.584 -8.602 1.00 70.43 C ATOM 807 CD1 TRP A 52 7.574 -4.268 -9.056 1.00 15.45 C ATOM 808 CD2 TRP A 52 6.845 -2.197 -8.619 1.00 73.34 C ATOM 809 NE1 TRP A 52 8.596 -3.395 -9.340 1.00 13.23 N ATOM 810 CE2 TRP A 52 8.172 -2.117 -9.083 1.00 30.22 C ATOM 811 CE3 TRP A 52 6.178 -1.015 -8.282 1.00 33.54 C ATOM 812 CZ2 TRP A 52 8.842 -0.904 -9.220 1.00 31.34 C ATOM 813 CZ3 TRP A 52 6.843 0.189 -8.420 1.00 24.03 C ATOM 814 CH2 TRP A 52 8.162 0.237 -8.887 1.00 62.35 C ATOM 0 H TRP A 52 5.704 -6.546 -6.684 1.00 33.42 H new ATOM 0 HA TRP A 52 5.401 -3.674 -6.080 1.00 65.00 H new ATOM 0 HB2 TRP A 52 4.951 -5.049 -8.770 1.00 2.40 H new ATOM 0 HB3 TRP A 52 4.372 -3.438 -8.395 1.00 2.40 H new ATOM 0 HD1 TRP A 52 7.626 -5.340 -9.175 1.00 15.45 H new ATOM 0 HE1 TRP A 52 9.520 -3.655 -9.686 1.00 13.23 H new ATOM 0 HE3 TRP A 52 5.161 -1.042 -7.920 1.00 33.54 H new ATOM 0 HZ2 TRP A 52 9.861 -0.865 -9.576 1.00 31.34 H new ATOM 0 HZ3 TRP A 52 6.337 1.108 -8.163 1.00 24.03 H new ATOM 0 HH2 TRP A 52 8.653 1.194 -8.987 1.00 62.35 H new ATOM 825 N TRP A 53 3.174 -4.341 -5.192 1.00 21.40 N ATOM 826 CA TRP A 53 1.783 -4.532 -4.751 1.00 40.14 C ATOM 827 C TRP A 53 0.938 -3.277 -5.018 1.00 12.22 C ATOM 828 O TRP A 53 1.348 -2.161 -4.691 1.00 30.23 O ATOM 829 CB TRP A 53 1.738 -4.881 -3.255 1.00 64.41 C ATOM 830 CG TRP A 53 2.181 -6.283 -2.940 1.00 22.12 C ATOM 831 CD1 TRP A 53 2.946 -7.103 -3.719 1.00 11.44 C ATOM 832 CD2 TRP A 53 1.882 -7.025 -1.755 1.00 30.45 C ATOM 833 NE1 TRP A 53 3.128 -8.310 -3.097 1.00 1.41 N ATOM 834 CE2 TRP A 53 2.492 -8.288 -1.888 1.00 44.42 C ATOM 835 CE3 TRP A 53 1.158 -6.747 -0.593 1.00 13.11 C ATOM 836 CZ2 TRP A 53 2.397 -9.268 -0.904 1.00 62.13 C ATOM 837 CZ3 TRP A 53 1.067 -7.720 0.385 1.00 32.31 C ATOM 838 CH2 TRP A 53 1.683 -8.967 0.225 1.00 31.34 C ATOM 0 H TRP A 53 3.731 -3.754 -4.571 1.00 21.40 H new ATOM 0 HA TRP A 53 1.363 -5.358 -5.325 1.00 40.14 H new ATOM 0 HB2 TRP A 53 2.370 -4.180 -2.710 1.00 64.41 H new ATOM 0 HB3 TRP A 53 0.720 -4.742 -2.891 1.00 64.41 H new ATOM 0 HD1 TRP A 53 3.349 -6.838 -4.685 1.00 11.44 H new ATOM 0 HE1 TRP A 53 3.654 -9.098 -3.475 1.00 1.41 H new ATOM 0 HE3 TRP A 53 0.678 -5.789 -0.461 1.00 13.11 H new ATOM 0 HZ2 TRP A 53 2.870 -10.231 -1.027 1.00 62.13 H new ATOM 0 HZ3 TRP A 53 0.511 -7.515 1.288 1.00 32.31 H new ATOM 0 HH2 TRP A 53 1.593 -9.706 1.007 1.00 31.34 H new ATOM 849 N LYS A 54 -0.239 -3.468 -5.616 1.00 13.43 N ATOM 850 CA LYS A 54 -1.157 -2.358 -5.910 1.00 0.33 C ATOM 851 C LYS A 54 -2.398 -2.421 -5.002 1.00 43.02 C ATOM 852 O LYS A 54 -3.187 -3.368 -5.078 1.00 72.11 O ATOM 853 CB LYS A 54 -1.569 -2.402 -7.390 1.00 30.24 C ATOM 854 CG LYS A 54 -2.332 -1.166 -7.870 1.00 61.22 C ATOM 855 CD LYS A 54 -2.497 -1.166 -9.388 1.00 74.10 C ATOM 856 CE LYS A 54 -3.163 0.111 -9.891 1.00 23.25 C ATOM 857 NZ LYS A 54 -3.197 0.166 -11.376 1.00 42.54 N ATOM 0 H LYS A 54 -0.583 -4.383 -5.908 1.00 13.43 H new ATOM 0 HA LYS A 54 -0.643 -1.417 -5.713 1.00 0.33 H new ATOM 0 HB2 LYS A 54 -0.674 -2.521 -8.000 1.00 30.24 H new ATOM 0 HB3 LYS A 54 -2.188 -3.284 -7.556 1.00 30.24 H new ATOM 0 HG2 LYS A 54 -3.313 -1.136 -7.396 1.00 61.22 H new ATOM 0 HG3 LYS A 54 -1.801 -0.266 -7.561 1.00 61.22 H new ATOM 0 HD2 LYS A 54 -1.520 -1.275 -9.859 1.00 74.10 H new ATOM 0 HD3 LYS A 54 -3.093 -2.028 -9.688 1.00 74.10 H new ATOM 0 HE2 LYS A 54 -4.179 0.169 -9.501 1.00 23.25 H new ATOM 0 HE3 LYS A 54 -2.625 0.978 -9.507 1.00 23.25 H new ATOM 0 HZ1 LYS A 54 -3.657 1.048 -11.680 1.00 42.54 H new ATOM 0 HZ2 LYS A 54 -2.226 0.136 -11.747 1.00 42.54 H new ATOM 0 HZ3 LYS A 54 -3.732 -0.647 -11.741 1.00 42.54 H new ATOM 871 N GLY A 55 -2.572 -1.410 -4.151 1.00 10.05 N ATOM 872 CA GLY A 55 -3.648 -1.429 -3.166 1.00 31.23 C ATOM 873 C GLY A 55 -4.685 -0.324 -3.348 1.00 75.20 C ATOM 874 O GLY A 55 -4.510 0.596 -4.150 1.00 73.51 O ATOM 0 H GLY A 55 -1.986 -0.575 -4.125 1.00 10.05 H new ATOM 0 HA2 GLY A 55 -4.151 -2.395 -3.213 1.00 31.23 H new ATOM 0 HA3 GLY A 55 -3.214 -1.344 -2.170 1.00 31.23 H new ATOM 878 N GLU A 56 -5.762 -0.425 -2.573 1.00 0.52 N ATOM 879 CA GLU A 56 -6.885 0.518 -2.631 1.00 73.53 C ATOM 880 C GLU A 56 -7.207 1.063 -1.231 1.00 54.23 C ATOM 881 O GLU A 56 -7.301 0.299 -0.264 1.00 73.10 O ATOM 882 CB GLU A 56 -8.122 -0.191 -3.201 1.00 22.52 C ATOM 883 CG GLU A 56 -9.355 0.699 -3.327 1.00 0.23 C ATOM 884 CD GLU A 56 -10.606 -0.093 -3.667 1.00 31.21 C ATOM 885 OE1 GLU A 56 -10.685 -0.642 -4.785 1.00 0.11 O ATOM 886 OE2 GLU A 56 -11.513 -0.180 -2.811 1.00 53.55 O ATOM 0 H GLU A 56 -5.885 -1.166 -1.882 1.00 0.52 H new ATOM 0 HA GLU A 56 -6.607 1.352 -3.276 1.00 73.53 H new ATOM 0 HB2 GLU A 56 -7.876 -0.591 -4.184 1.00 22.52 H new ATOM 0 HB3 GLU A 56 -8.365 -1.040 -2.563 1.00 22.52 H new ATOM 0 HG2 GLU A 56 -9.510 1.235 -2.391 1.00 0.23 H new ATOM 0 HG3 GLU A 56 -9.182 1.449 -4.099 1.00 0.23 H new ATOM 893 N THR A 57 -7.374 2.382 -1.121 1.00 55.04 N ATOM 894 CA THR A 57 -7.705 3.027 0.164 1.00 11.41 C ATOM 895 C THR A 57 -8.746 4.136 -0.016 1.00 14.40 C ATOM 896 O THR A 57 -9.121 4.487 -1.140 1.00 0.25 O ATOM 897 CB THR A 57 -6.461 3.668 0.832 1.00 52.43 C ATOM 898 OG1 THR A 57 -5.980 4.757 0.026 1.00 21.11 O ATOM 899 CG2 THR A 57 -5.343 2.653 1.035 1.00 24.04 C ATOM 0 H THR A 57 -7.287 3.030 -1.903 1.00 55.04 H new ATOM 0 HA THR A 57 -8.099 2.232 0.797 1.00 11.41 H new ATOM 0 HB THR A 57 -6.765 4.036 1.812 1.00 52.43 H new ATOM 0 HG1 THR A 57 -5.918 4.469 -0.909 1.00 21.11 H new ATOM 0 HG21 THR A 57 -4.489 3.141 1.505 1.00 24.04 H new ATOM 0 HG22 THR A 57 -5.697 1.845 1.675 1.00 24.04 H new ATOM 0 HG23 THR A 57 -5.042 2.246 0.070 1.00 24.04 H new ATOM 907 N HIS A 58 -9.201 4.704 1.098 1.00 64.30 N ATOM 908 CA HIS A 58 -10.077 5.877 1.064 1.00 64.24 C ATOM 909 C HIS A 58 -9.266 7.146 0.731 1.00 63.41 C ATOM 910 O HIS A 58 -9.822 8.227 0.549 1.00 21.30 O ATOM 911 CB HIS A 58 -10.807 6.031 2.408 1.00 21.23 C ATOM 912 CG HIS A 58 -11.827 7.132 2.431 1.00 73.33 C ATOM 913 ND1 HIS A 58 -11.782 8.183 3.319 1.00 35.42 N ATOM 914 CD2 HIS A 58 -12.928 7.340 1.669 1.00 74.14 C ATOM 915 CE1 HIS A 58 -12.803 8.986 3.108 1.00 74.05 C ATOM 916 NE2 HIS A 58 -13.515 8.500 2.113 1.00 50.20 N ATOM 0 H HIS A 58 -8.979 4.373 2.037 1.00 64.30 H new ATOM 0 HA HIS A 58 -10.822 5.737 0.281 1.00 64.24 H new ATOM 0 HB2 HIS A 58 -11.299 5.089 2.651 1.00 21.23 H new ATOM 0 HB3 HIS A 58 -10.070 6.217 3.190 1.00 21.23 H new ATOM 0 HD2 HIS A 58 -13.278 6.712 0.864 1.00 74.14 H new ATOM 0 HE1 HIS A 58 -13.020 9.890 3.658 1.00 74.05 H new ATOM 0 HE2 HIS A 58 -14.365 8.917 1.733 1.00 50.20 H new ATOM 925 N GLN A 59 -7.940 6.999 0.675 1.00 61.43 N ATOM 926 CA GLN A 59 -7.041 8.082 0.256 1.00 43.01 C ATOM 927 C GLN A 59 -6.795 8.033 -1.261 1.00 41.22 C ATOM 928 O GLN A 59 -6.639 9.064 -1.914 1.00 65.34 O ATOM 929 CB GLN A 59 -5.701 7.969 1.000 1.00 34.13 C ATOM 930 CG GLN A 59 -5.810 8.120 2.517 1.00 71.33 C ATOM 931 CD GLN A 59 -6.314 9.492 2.934 1.00 0.32 C ATOM 932 OE1 GLN A 59 -5.533 10.422 3.117 1.00 33.41 O ATOM 933 NE2 GLN A 59 -7.616 9.626 3.104 1.00 14.13 N ATOM 0 H GLN A 59 -7.460 6.132 0.917 1.00 61.43 H new ATOM 0 HA GLN A 59 -7.514 9.033 0.501 1.00 43.01 H new ATOM 0 HB2 GLN A 59 -5.254 7.001 0.774 1.00 34.13 H new ATOM 0 HB3 GLN A 59 -5.021 8.731 0.619 1.00 34.13 H new ATOM 0 HG2 GLN A 59 -6.483 7.356 2.907 1.00 71.33 H new ATOM 0 HG3 GLN A 59 -4.833 7.944 2.967 1.00 71.33 H new ATOM 0 HE21 GLN A 59 -8.236 8.832 2.943 1.00 14.13 H new ATOM 0 HE22 GLN A 59 -8.002 10.524 3.396 1.00 14.13 H new ATOM 942 N GLY A 60 -6.758 6.819 -1.809 1.00 22.33 N ATOM 943 CA GLY A 60 -6.531 6.636 -3.239 1.00 34.24 C ATOM 944 C GLY A 60 -6.111 5.213 -3.597 1.00 64.54 C ATOM 945 O GLY A 60 -6.086 4.330 -2.736 1.00 42.42 O ATOM 0 H GLY A 60 -6.882 5.952 -1.286 1.00 22.33 H new ATOM 0 HA2 GLY A 60 -7.442 6.888 -3.781 1.00 34.24 H new ATOM 0 HA3 GLY A 60 -5.760 7.331 -3.571 1.00 34.24 H new ATOM 949 N ILE A 61 -5.781 4.993 -4.869 1.00 54.33 N ATOM 950 CA ILE A 61 -5.332 3.677 -5.351 1.00 44.14 C ATOM 951 C ILE A 61 -3.934 3.776 -5.988 1.00 3.14 C ATOM 952 O ILE A 61 -3.691 4.648 -6.825 1.00 53.01 O ATOM 953 CB ILE A 61 -6.326 3.096 -6.399 1.00 2.32 C ATOM 954 CG1 ILE A 61 -7.745 3.017 -5.808 1.00 70.45 C ATOM 955 CG2 ILE A 61 -5.864 1.719 -6.882 1.00 23.04 C ATOM 956 CD1 ILE A 61 -8.791 2.498 -6.777 1.00 11.42 C ATOM 0 H ILE A 61 -5.815 5.711 -5.593 1.00 54.33 H new ATOM 0 HA ILE A 61 -5.292 3.012 -4.488 1.00 44.14 H new ATOM 0 HB ILE A 61 -6.347 3.766 -7.259 1.00 2.32 H new ATOM 0 HG12 ILE A 61 -7.726 2.371 -4.930 1.00 70.45 H new ATOM 0 HG13 ILE A 61 -8.041 4.009 -5.467 1.00 70.45 H new ATOM 0 HG21 ILE A 61 -6.574 1.333 -7.613 1.00 23.04 H new ATOM 0 HG22 ILE A 61 -4.880 1.806 -7.342 1.00 23.04 H new ATOM 0 HG23 ILE A 61 -5.809 1.036 -6.034 1.00 23.04 H new ATOM 0 HD11 ILE A 61 -9.763 2.473 -6.284 1.00 11.42 H new ATOM 0 HD12 ILE A 61 -8.841 3.156 -7.645 1.00 11.42 H new ATOM 0 HD13 ILE A 61 -8.521 1.492 -7.099 1.00 11.42 H new ATOM 968 N GLY A 62 -3.022 2.885 -5.600 1.00 52.44 N ATOM 969 CA GLY A 62 -1.663 2.941 -6.135 1.00 63.31 C ATOM 970 C GLY A 62 -0.754 1.802 -5.668 1.00 54.31 C ATOM 971 O GLY A 62 -1.188 0.881 -4.974 1.00 33.32 O ATOM 0 H GLY A 62 -3.193 2.133 -4.933 1.00 52.44 H new ATOM 0 HA2 GLY A 62 -1.713 2.927 -7.224 1.00 63.31 H new ATOM 0 HA3 GLY A 62 -1.211 3.891 -5.849 1.00 63.31 H new ATOM 975 N LEU A 63 0.516 1.881 -6.056 1.00 13.33 N ATOM 976 CA LEU A 63 1.521 0.865 -5.716 1.00 15.04 C ATOM 977 C LEU A 63 2.240 1.197 -4.398 1.00 62.34 C ATOM 978 O LEU A 63 2.256 2.344 -3.953 1.00 4.22 O ATOM 979 CB LEU A 63 2.562 0.770 -6.847 1.00 64.34 C ATOM 980 CG LEU A 63 2.028 0.315 -8.216 1.00 12.45 C ATOM 981 CD1 LEU A 63 3.069 0.550 -9.308 1.00 14.44 C ATOM 982 CD2 LEU A 63 1.628 -1.157 -8.173 1.00 21.45 C ATOM 0 H LEU A 63 0.883 2.651 -6.616 1.00 13.33 H new ATOM 0 HA LEU A 63 1.004 -0.087 -5.594 1.00 15.04 H new ATOM 0 HB2 LEU A 63 3.029 1.747 -6.968 1.00 64.34 H new ATOM 0 HB3 LEU A 63 3.345 0.079 -6.536 1.00 64.34 H new ATOM 0 HG LEU A 63 1.144 0.909 -8.450 1.00 12.45 H new ATOM 0 HD11 LEU A 63 2.670 0.221 -10.268 1.00 14.44 H new ATOM 0 HD12 LEU A 63 3.309 1.612 -9.360 1.00 14.44 H new ATOM 0 HD13 LEU A 63 3.972 -0.015 -9.077 1.00 14.44 H new ATOM 0 HD21 LEU A 63 1.253 -1.461 -9.150 1.00 21.45 H new ATOM 0 HD22 LEU A 63 2.496 -1.763 -7.914 1.00 21.45 H new ATOM 0 HD23 LEU A 63 0.849 -1.301 -7.424 1.00 21.45 H new ATOM 994 N PHE A 64 2.825 0.177 -3.774 1.00 22.11 N ATOM 995 CA PHE A 64 3.695 0.373 -2.607 1.00 41.01 C ATOM 996 C PHE A 64 4.762 -0.742 -2.519 1.00 71.13 C ATOM 997 O PHE A 64 4.666 -1.667 -1.710 1.00 21.25 O ATOM 998 CB PHE A 64 2.872 0.481 -1.307 1.00 5.04 C ATOM 999 CG PHE A 64 1.828 -0.597 -1.117 1.00 32.13 C ATOM 1000 CD1 PHE A 64 0.611 -0.531 -1.788 1.00 51.41 C ATOM 1001 CD2 PHE A 64 2.052 -1.665 -0.259 1.00 54.12 C ATOM 1002 CE1 PHE A 64 -0.351 -1.507 -1.607 1.00 54.14 C ATOM 1003 CE2 PHE A 64 1.091 -2.642 -0.078 1.00 52.44 C ATOM 1004 CZ PHE A 64 -0.111 -2.563 -0.751 1.00 44.52 C ATOM 0 H PHE A 64 2.715 -0.797 -4.055 1.00 22.11 H new ATOM 0 HA PHE A 64 4.220 1.320 -2.734 1.00 41.01 H new ATOM 0 HB2 PHE A 64 3.556 0.456 -0.459 1.00 5.04 H new ATOM 0 HB3 PHE A 64 2.377 1.452 -1.288 1.00 5.04 H new ATOM 0 HD1 PHE A 64 0.416 0.293 -2.458 1.00 51.41 H new ATOM 0 HD2 PHE A 64 2.989 -1.733 0.274 1.00 54.12 H new ATOM 0 HE1 PHE A 64 -1.291 -1.443 -2.135 1.00 54.14 H new ATOM 0 HE2 PHE A 64 1.281 -3.468 0.591 1.00 52.44 H new ATOM 0 HZ PHE A 64 -0.862 -3.326 -0.608 1.00 44.52 H new ATOM 1014 N PRO A 65 5.803 -0.661 -3.379 1.00 1.42 N ATOM 1015 CA PRO A 65 6.852 -1.698 -3.477 1.00 21.13 C ATOM 1016 C PRO A 65 7.774 -1.787 -2.243 1.00 70.04 C ATOM 1017 O PRO A 65 8.456 -2.796 -2.050 1.00 74.13 O ATOM 1018 CB PRO A 65 7.654 -1.268 -4.714 1.00 72.20 C ATOM 1019 CG PRO A 65 7.445 0.205 -4.804 1.00 2.33 C ATOM 1020 CD PRO A 65 6.037 0.447 -4.330 1.00 55.13 C ATOM 0 HA PRO A 65 6.410 -2.692 -3.542 1.00 21.13 H new ATOM 0 HB2 PRO A 65 8.711 -1.513 -4.606 1.00 72.20 H new ATOM 0 HB3 PRO A 65 7.300 -1.774 -5.612 1.00 72.20 H new ATOM 0 HG2 PRO A 65 8.164 0.741 -4.184 1.00 2.33 H new ATOM 0 HG3 PRO A 65 7.580 0.558 -5.826 1.00 2.33 H new ATOM 0 HD2 PRO A 65 5.937 1.419 -3.847 1.00 55.13 H new ATOM 0 HD3 PRO A 65 5.325 0.426 -5.155 1.00 55.13 H new ATOM 1028 N SER A 66 7.794 -0.740 -1.416 1.00 62.31 N ATOM 1029 CA SER A 66 8.655 -0.709 -0.215 1.00 44.42 C ATOM 1030 C SER A 66 8.334 -1.862 0.755 1.00 32.51 C ATOM 1031 O SER A 66 9.174 -2.251 1.571 1.00 72.34 O ATOM 1032 CB SER A 66 8.516 0.639 0.510 1.00 23.15 C ATOM 1033 OG SER A 66 9.348 0.706 1.660 1.00 43.21 O ATOM 0 H SER A 66 7.229 0.099 -1.548 1.00 62.31 H new ATOM 0 HA SER A 66 9.684 -0.835 -0.552 1.00 44.42 H new ATOM 0 HB2 SER A 66 8.774 1.448 -0.173 1.00 23.15 H new ATOM 0 HB3 SER A 66 7.477 0.789 0.803 1.00 23.15 H new ATOM 0 HG SER A 66 9.235 1.577 2.095 1.00 43.21 H new ATOM 1039 N ASN A 67 7.112 -2.401 0.664 1.00 12.15 N ATOM 1040 CA ASN A 67 6.678 -3.538 1.496 1.00 33.25 C ATOM 1041 C ASN A 67 6.742 -3.202 3.001 1.00 33.14 C ATOM 1042 O ASN A 67 7.696 -3.555 3.700 1.00 74.31 O ATOM 1043 CB ASN A 67 7.499 -4.801 1.183 1.00 11.02 C ATOM 1044 CG ASN A 67 6.853 -6.062 1.731 1.00 63.15 C ATOM 1045 OD1 ASN A 67 6.115 -6.026 2.709 1.00 50.21 O ATOM 1046 ND2 ASN A 67 7.120 -7.190 1.105 1.00 52.01 N ATOM 0 H ASN A 67 6.398 -2.066 0.017 1.00 12.15 H new ATOM 0 HA ASN A 67 5.636 -3.739 1.248 1.00 33.25 H new ATOM 0 HB2 ASN A 67 7.617 -4.896 0.104 1.00 11.02 H new ATOM 0 HB3 ASN A 67 8.498 -4.695 1.605 1.00 11.02 H new ATOM 0 HD21 ASN A 67 6.709 -8.064 1.432 1.00 52.01 H new ATOM 0 HD22 ASN A 67 7.738 -7.189 0.294 1.00 52.01 H new ATOM 1053 N PHE A 68 5.737 -2.476 3.471 1.00 22.53 N ATOM 1054 CA PHE A 68 5.642 -2.065 4.878 1.00 64.33 C ATOM 1055 C PHE A 68 4.269 -2.437 5.472 1.00 25.34 C ATOM 1056 O PHE A 68 3.774 -1.795 6.403 1.00 41.14 O ATOM 1057 CB PHE A 68 5.887 -0.551 4.978 1.00 20.14 C ATOM 1058 CG PHE A 68 5.139 0.244 3.936 1.00 24.03 C ATOM 1059 CD1 PHE A 68 3.854 0.698 4.178 1.00 41.11 C ATOM 1060 CD2 PHE A 68 5.721 0.523 2.707 1.00 11.43 C ATOM 1061 CE1 PHE A 68 3.167 1.413 3.219 1.00 33.13 C ATOM 1062 CE2 PHE A 68 5.037 1.239 1.745 1.00 52.03 C ATOM 1063 CZ PHE A 68 3.758 1.684 2.001 1.00 32.45 C ATOM 0 H PHE A 68 4.961 -2.152 2.893 1.00 22.53 H new ATOM 0 HA PHE A 68 6.401 -2.593 5.456 1.00 64.33 H new ATOM 0 HB2 PHE A 68 5.592 -0.207 5.969 1.00 20.14 H new ATOM 0 HB3 PHE A 68 6.955 -0.355 4.878 1.00 20.14 H new ATOM 0 HD1 PHE A 68 3.384 0.490 5.128 1.00 41.11 H new ATOM 0 HD2 PHE A 68 6.722 0.175 2.501 1.00 11.43 H new ATOM 0 HE1 PHE A 68 2.165 1.761 3.421 1.00 33.13 H new ATOM 0 HE2 PHE A 68 5.503 1.450 0.794 1.00 52.03 H new ATOM 0 HZ PHE A 68 3.219 2.243 1.251 1.00 32.45 H new ATOM 1073 N VAL A 69 3.676 -3.501 4.934 1.00 61.14 N ATOM 1074 CA VAL A 69 2.339 -3.954 5.344 1.00 21.23 C ATOM 1075 C VAL A 69 2.330 -5.461 5.658 1.00 74.22 C ATOM 1076 O VAL A 69 3.256 -6.185 5.290 1.00 30.43 O ATOM 1077 CB VAL A 69 1.287 -3.663 4.242 1.00 21.14 C ATOM 1078 CG1 VAL A 69 1.163 -2.163 3.978 1.00 22.33 C ATOM 1079 CG2 VAL A 69 1.639 -4.412 2.958 1.00 61.31 C ATOM 0 H VAL A 69 4.102 -4.074 4.205 1.00 61.14 H new ATOM 0 HA VAL A 69 2.080 -3.399 6.246 1.00 21.23 H new ATOM 0 HB VAL A 69 0.319 -4.018 4.596 1.00 21.14 H new ATOM 0 HG11 VAL A 69 0.418 -1.991 3.201 1.00 22.33 H new ATOM 0 HG12 VAL A 69 0.856 -1.657 4.893 1.00 22.33 H new ATOM 0 HG13 VAL A 69 2.126 -1.770 3.651 1.00 22.33 H new ATOM 0 HG21 VAL A 69 0.891 -4.197 2.195 1.00 61.31 H new ATOM 0 HG22 VAL A 69 2.619 -4.090 2.606 1.00 61.31 H new ATOM 0 HG23 VAL A 69 1.658 -5.484 3.156 1.00 61.31 H new ATOM 1089 N THR A 70 1.278 -5.930 6.326 1.00 70.32 N ATOM 1090 CA THR A 70 1.145 -7.359 6.664 1.00 74.11 C ATOM 1091 C THR A 70 -0.328 -7.794 6.710 1.00 61.24 C ATOM 1092 O THR A 70 -1.195 -7.040 7.153 1.00 41.34 O ATOM 1093 CB THR A 70 1.812 -7.687 8.025 1.00 25.55 C ATOM 1094 OG1 THR A 70 1.719 -9.095 8.303 1.00 61.35 O ATOM 1095 CG2 THR A 70 1.168 -6.901 9.167 1.00 54.41 C ATOM 0 H THR A 70 0.503 -5.349 6.646 1.00 70.32 H new ATOM 0 HA THR A 70 1.655 -7.911 5.875 1.00 74.11 H new ATOM 0 HB THR A 70 2.860 -7.397 7.953 1.00 25.55 H new ATOM 0 HG1 THR A 70 2.146 -9.287 9.164 1.00 61.35 H new ATOM 0 HG21 THR A 70 1.660 -7.155 10.106 1.00 54.41 H new ATOM 0 HG22 THR A 70 1.275 -5.833 8.979 1.00 54.41 H new ATOM 0 HG23 THR A 70 0.110 -7.154 9.231 1.00 54.41 H new ATOM 1103 N ALA A 71 -0.613 -9.008 6.245 1.00 42.00 N ATOM 1104 CA ALA A 71 -1.984 -9.533 6.244 1.00 32.13 C ATOM 1105 C ALA A 71 -2.388 -10.042 7.638 1.00 4.41 C ATOM 1106 O ALA A 71 -1.728 -10.918 8.204 1.00 12.44 O ATOM 1107 CB ALA A 71 -2.125 -10.642 5.208 1.00 3.55 C ATOM 0 H ALA A 71 0.083 -9.649 5.864 1.00 42.00 H new ATOM 0 HA ALA A 71 -2.657 -8.718 5.980 1.00 32.13 H new ATOM 0 HB1 ALA A 71 -3.147 -11.022 5.218 1.00 3.55 H new ATOM 0 HB2 ALA A 71 -1.895 -10.247 4.219 1.00 3.55 H new ATOM 0 HB3 ALA A 71 -1.435 -11.451 5.445 1.00 3.55 H new ATOM 1113 N ASP A 72 -3.480 -9.501 8.175 1.00 25.33 N ATOM 1114 CA ASP A 72 -3.926 -9.814 9.542 1.00 13.24 C ATOM 1115 C ASP A 72 -4.571 -11.221 9.653 1.00 54.41 C ATOM 1116 O ASP A 72 -5.714 -11.412 9.185 1.00 37.73 O ATOM 1117 CB ASP A 72 -4.876 -8.710 10.054 1.00 53.32 C ATOM 1118 CG ASP A 72 -6.072 -8.444 9.144 1.00 12.31 C ATOM 1119 OD1 ASP A 72 -5.875 -8.209 7.932 1.00 31.35 O ATOM 1120 OD2 ASP A 72 -7.222 -8.441 9.643 1.00 61.43 O ATOM 1121 OXT ASP A 72 -3.920 -12.133 10.224 1.00 37.73 O ATOM 0 H ASP A 72 -4.080 -8.838 7.684 1.00 25.33 H new ATOM 0 HA ASP A 72 -3.043 -9.840 10.180 1.00 13.24 H new ATOM 0 HB2 ASP A 72 -5.241 -8.989 11.042 1.00 53.32 H new ATOM 0 HB3 ASP A 72 -4.311 -7.786 10.172 1.00 53.32 H new TER 1126 ASP A 72