USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 507 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 33 THR OG1 : rot 177:sc= 0.427 USER MOD Set 1.2: A 59 SER OG : rot 53:sc= 1.6 USER MOD Set 2.1: A 11 SER OG : rot 180:sc= 0.361 USER MOD Set 2.2: A 12 ASN : amide:sc= -0.246 X(o=0.11,f=0.085) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.134 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 150:sc= 0.527 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.0347 K(o=-0.035,f=-2!) USER MOD Single : A 51 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 56 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.028) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.770 -41.951 -16.067 1.00 74.31 N ATOM 2 CA GLY A 1 36.855 -40.909 -15.034 1.00 73.16 C ATOM 3 C GLY A 1 37.321 -41.482 -13.710 1.00 73.20 C ATOM 4 O GLY A 1 37.574 -42.682 -13.606 1.00 74.16 O ATOM 0 H1 GLY A 1 37.406 -41.712 -16.855 1.00 74.31 H new ATOM 0 H2 GLY A 1 37.051 -42.866 -15.661 1.00 74.31 H new ATOM 0 H3 GLY A 1 35.793 -42.013 -16.418 1.00 74.31 H new ATOM 0 HA2 GLY A 1 37.544 -40.129 -15.358 1.00 73.16 H new ATOM 0 HA3 GLY A 1 35.879 -40.440 -14.906 1.00 73.16 H new ATOM 10 N SER A 2 37.464 -40.632 -12.693 1.00 72.23 N ATOM 11 CA SER A 2 38.078 -41.003 -11.406 1.00 72.28 C ATOM 12 C SER A 2 37.317 -40.470 -10.185 1.00 71.04 C ATOM 13 O SER A 2 36.531 -39.524 -10.275 1.00 70.09 O ATOM 14 CB SER A 2 39.526 -40.495 -11.357 1.00 72.64 C ATOM 15 OG SER A 2 40.320 -41.042 -12.401 1.00 73.68 O ATOM 0 H SER A 2 37.157 -39.660 -12.733 1.00 72.23 H new ATOM 0 HA SER A 2 38.042 -42.091 -11.352 1.00 72.28 H new ATOM 0 HB2 SER A 2 39.531 -39.407 -11.430 1.00 72.64 H new ATOM 0 HB3 SER A 2 39.967 -40.752 -10.394 1.00 72.64 H new ATOM 0 HG SER A 2 41.233 -40.692 -12.335 1.00 73.68 H new ATOM 21 N PHE A 3 37.599 -41.060 -9.020 1.00 71.11 N ATOM 22 CA PHE A 3 37.272 -40.490 -7.708 1.00 70.11 C ATOM 23 C PHE A 3 38.220 -39.314 -7.373 1.00 69.14 C ATOM 24 O PHE A 3 39.209 -39.083 -8.073 1.00 69.32 O ATOM 25 CB PHE A 3 37.342 -41.608 -6.653 1.00 70.99 C ATOM 26 CG PHE A 3 36.571 -42.887 -6.952 1.00 71.36 C ATOM 27 CD1 PHE A 3 35.264 -42.847 -7.478 1.00 70.77 C ATOM 28 CD2 PHE A 3 37.176 -44.135 -6.701 1.00 72.36 C ATOM 29 CE1 PHE A 3 34.586 -44.043 -7.778 1.00 71.22 C ATOM 30 CE2 PHE A 3 36.495 -45.329 -6.994 1.00 72.78 C ATOM 31 CZ PHE A 3 35.201 -45.284 -7.542 1.00 72.22 C ATOM 0 H PHE A 3 38.069 -41.963 -8.960 1.00 71.11 H new ATOM 0 HA PHE A 3 36.261 -40.083 -7.717 1.00 70.11 H new ATOM 0 HB2 PHE A 3 38.390 -41.870 -6.506 1.00 70.99 H new ATOM 0 HB3 PHE A 3 36.978 -41.206 -5.708 1.00 70.99 H new ATOM 0 HD1 PHE A 3 34.782 -41.896 -7.651 1.00 70.77 H new ATOM 0 HD2 PHE A 3 38.170 -44.174 -6.281 1.00 72.36 H new ATOM 0 HE1 PHE A 3 33.589 -44.007 -8.191 1.00 71.22 H new ATOM 0 HE2 PHE A 3 36.966 -46.281 -6.798 1.00 72.78 H new ATOM 0 HZ PHE A 3 34.682 -46.200 -7.781 1.00 72.22 H new ATOM 41 N THR A 4 37.936 -38.535 -6.321 1.00 68.16 N ATOM 42 CA THR A 4 38.706 -37.312 -6.007 1.00 67.17 C ATOM 43 C THR A 4 40.047 -37.594 -5.324 1.00 67.64 C ATOM 44 O THR A 4 40.118 -38.390 -4.384 1.00 68.23 O ATOM 45 CB THR A 4 37.909 -36.339 -5.125 1.00 66.01 C ATOM 46 OG1 THR A 4 37.494 -36.983 -3.939 1.00 66.17 O ATOM 47 CG2 THR A 4 36.660 -35.816 -5.830 1.00 65.31 C ATOM 0 H THR A 4 37.177 -38.726 -5.667 1.00 68.16 H new ATOM 0 HA THR A 4 38.903 -36.858 -6.978 1.00 67.17 H new ATOM 0 HB THR A 4 38.573 -35.503 -4.906 1.00 66.01 H new ATOM 0 HG1 THR A 4 36.989 -36.353 -3.384 1.00 66.17 H new ATOM 0 HG21 THR A 4 36.128 -35.132 -5.169 1.00 65.31 H new ATOM 0 HG22 THR A 4 36.949 -35.290 -6.740 1.00 65.31 H new ATOM 0 HG23 THR A 4 36.009 -36.652 -6.086 1.00 65.31 H new ATOM 55 N MET A 5 41.094 -36.867 -5.718 1.00 67.38 N ATOM 56 CA MET A 5 42.342 -36.728 -4.951 1.00 67.58 C ATOM 57 C MET A 5 42.111 -35.995 -3.603 1.00 66.37 C ATOM 58 O MET A 5 41.079 -35.335 -3.439 1.00 65.07 O ATOM 59 CB MET A 5 43.358 -35.979 -5.826 1.00 67.69 C ATOM 60 CG MET A 5 43.937 -36.866 -6.929 1.00 68.82 C ATOM 61 SD MET A 5 44.803 -35.910 -8.200 1.00 68.89 S ATOM 62 CE MET A 5 45.599 -37.260 -9.103 1.00 70.31 C ATOM 0 H MET A 5 41.103 -36.347 -6.595 1.00 67.38 H new ATOM 0 HA MET A 5 42.725 -37.716 -4.697 1.00 67.58 H new ATOM 0 HB2 MET A 5 42.877 -35.111 -6.276 1.00 67.69 H new ATOM 0 HB3 MET A 5 44.168 -35.606 -5.200 1.00 67.69 H new ATOM 0 HG2 MET A 5 44.626 -37.587 -6.488 1.00 68.82 H new ATOM 0 HG3 MET A 5 43.132 -37.437 -7.393 1.00 68.82 H new ATOM 0 HE1 MET A 5 46.181 -36.852 -9.929 1.00 70.31 H new ATOM 0 HE2 MET A 5 46.259 -37.808 -8.431 1.00 70.31 H new ATOM 0 HE3 MET A 5 44.838 -37.935 -9.494 1.00 70.31 H new ATOM 72 N PRO A 6 43.036 -36.087 -2.628 1.00 66.78 N ATOM 73 CA PRO A 6 42.905 -35.461 -1.310 1.00 65.74 C ATOM 74 C PRO A 6 43.395 -34.003 -1.285 1.00 64.47 C ATOM 75 O PRO A 6 44.327 -33.627 -2.007 1.00 64.78 O ATOM 76 CB PRO A 6 43.748 -36.336 -0.380 1.00 66.93 C ATOM 77 CG PRO A 6 44.896 -36.777 -1.286 1.00 68.40 C ATOM 78 CD PRO A 6 44.228 -36.924 -2.653 1.00 68.40 C ATOM 0 HA PRO A 6 41.859 -35.405 -1.009 1.00 65.74 H new ATOM 0 HB2 PRO A 6 44.106 -35.779 0.486 1.00 66.93 H new ATOM 0 HB3 PRO A 6 43.182 -37.186 -0.000 1.00 66.93 H new ATOM 0 HG2 PRO A 6 45.698 -36.039 -1.307 1.00 68.40 H new ATOM 0 HG3 PRO A 6 45.336 -37.716 -0.950 1.00 68.40 H new ATOM 0 HD2 PRO A 6 44.903 -36.612 -3.449 1.00 68.40 H new ATOM 0 HD3 PRO A 6 43.967 -37.964 -2.846 1.00 68.40 H new ATOM 86 N GLY A 7 42.822 -33.192 -0.394 1.00 63.13 N ATOM 87 CA GLY A 7 43.310 -31.845 -0.075 1.00 61.97 C ATOM 88 C GLY A 7 43.203 -30.839 -1.220 1.00 61.15 C ATOM 89 O GLY A 7 44.094 -30.008 -1.416 1.00 60.72 O ATOM 0 H GLY A 7 41.991 -33.455 0.136 1.00 63.13 H new ATOM 0 HA2 GLY A 7 42.750 -31.464 0.779 1.00 61.97 H new ATOM 0 HA3 GLY A 7 44.353 -31.915 0.233 1.00 61.97 H new ATOM 93 N LEU A 8 42.137 -30.938 -2.011 1.00 61.02 N ATOM 94 CA LEU A 8 41.882 -30.110 -3.197 1.00 60.37 C ATOM 95 C LEU A 8 41.346 -28.713 -2.829 1.00 59.00 C ATOM 96 O LEU A 8 40.281 -28.281 -3.285 1.00 58.47 O ATOM 97 CB LEU A 8 40.995 -30.878 -4.194 1.00 60.98 C ATOM 98 CG LEU A 8 41.580 -32.217 -4.677 1.00 62.20 C ATOM 99 CD1 LEU A 8 40.621 -32.838 -5.692 1.00 62.22 C ATOM 100 CD2 LEU A 8 42.960 -32.046 -5.318 1.00 63.15 C ATOM 0 H LEU A 8 41.398 -31.620 -1.841 1.00 61.02 H new ATOM 0 HA LEU A 8 42.829 -29.913 -3.700 1.00 60.37 H new ATOM 0 HB2 LEU A 8 40.028 -31.067 -3.728 1.00 60.98 H new ATOM 0 HB3 LEU A 8 40.813 -30.243 -5.061 1.00 60.98 H new ATOM 0 HG LEU A 8 41.700 -32.866 -3.810 1.00 62.20 H new ATOM 0 HD11 LEU A 8 41.026 -33.788 -6.041 1.00 62.22 H new ATOM 0 HD12 LEU A 8 39.653 -33.007 -5.221 1.00 62.22 H new ATOM 0 HD13 LEU A 8 40.500 -32.162 -6.539 1.00 62.22 H new ATOM 0 HD21 LEU A 8 43.333 -33.017 -5.643 1.00 63.15 H new ATOM 0 HD22 LEU A 8 42.882 -31.381 -6.178 1.00 63.15 H new ATOM 0 HD23 LEU A 8 43.649 -31.618 -4.590 1.00 63.15 H new ATOM 112 N VAL A 9 42.117 -28.016 -1.991 1.00 58.52 N ATOM 113 CA VAL A 9 41.871 -26.665 -1.486 1.00 57.32 C ATOM 114 C VAL A 9 42.811 -25.700 -2.197 1.00 56.81 C ATOM 115 O VAL A 9 43.963 -25.495 -1.802 1.00 57.17 O ATOM 116 CB VAL A 9 42.016 -26.557 0.051 1.00 57.34 C ATOM 117 CG1 VAL A 9 41.253 -25.324 0.549 1.00 56.55 C ATOM 118 CG2 VAL A 9 41.489 -27.783 0.809 1.00 57.94 C ATOM 0 H VAL A 9 42.985 -28.406 -1.624 1.00 58.52 H new ATOM 0 HA VAL A 9 40.834 -26.405 -1.700 1.00 57.32 H new ATOM 0 HB VAL A 9 43.085 -26.483 0.250 1.00 57.34 H new ATOM 0 HG11 VAL A 9 41.354 -25.246 1.632 1.00 56.55 H new ATOM 0 HG12 VAL A 9 41.663 -24.429 0.081 1.00 56.55 H new ATOM 0 HG13 VAL A 9 40.199 -25.419 0.289 1.00 56.55 H new ATOM 0 HG21 VAL A 9 41.624 -27.634 1.880 1.00 57.94 H new ATOM 0 HG22 VAL A 9 40.429 -27.917 0.592 1.00 57.94 H new ATOM 0 HG23 VAL A 9 42.039 -28.670 0.493 1.00 57.94 H new ATOM 128 N ASP A 10 42.323 -25.099 -3.275 1.00 56.05 N ATOM 129 CA ASP A 10 42.936 -23.883 -3.801 1.00 55.30 C ATOM 130 C ASP A 10 42.745 -22.738 -2.794 1.00 54.20 C ATOM 131 O ASP A 10 41.610 -22.352 -2.483 1.00 53.24 O ATOM 132 CB ASP A 10 42.351 -23.539 -5.171 1.00 54.87 C ATOM 133 CG ASP A 10 42.892 -22.211 -5.699 1.00 54.60 C ATOM 134 OD1 ASP A 10 44.097 -21.906 -5.534 1.00 55.23 O ATOM 135 OD2 ASP A 10 42.102 -21.455 -6.308 1.00 53.86 O ATOM 0 H ASP A 10 41.512 -25.429 -3.799 1.00 56.05 H new ATOM 0 HA ASP A 10 44.006 -24.041 -3.939 1.00 55.30 H new ATOM 0 HB2 ASP A 10 42.587 -24.335 -5.878 1.00 54.87 H new ATOM 0 HB3 ASP A 10 41.265 -23.487 -5.100 1.00 54.87 H new ATOM 140 N SER A 11 43.862 -22.201 -2.300 1.00 54.42 N ATOM 141 CA SER A 11 43.928 -21.081 -1.356 1.00 53.63 C ATOM 142 C SER A 11 43.126 -21.369 -0.072 1.00 52.41 C ATOM 143 O SER A 11 43.193 -22.472 0.477 1.00 52.79 O ATOM 144 CB SER A 11 43.565 -19.783 -2.102 1.00 53.16 C ATOM 145 OG SER A 11 43.824 -18.623 -1.332 1.00 52.97 O ATOM 0 H SER A 11 44.786 -22.549 -2.557 1.00 54.42 H new ATOM 0 HA SER A 11 44.943 -20.944 -0.982 1.00 53.63 H new ATOM 0 HB2 SER A 11 44.132 -19.732 -3.032 1.00 53.16 H new ATOM 0 HB3 SER A 11 42.509 -19.807 -2.373 1.00 53.16 H new ATOM 0 HG SER A 11 43.579 -17.827 -1.848 1.00 52.97 H new ATOM 151 N ASN A 12 42.389 -20.384 0.435 1.00 51.01 N ATOM 152 CA ASN A 12 41.698 -20.422 1.721 1.00 49.85 C ATOM 153 C ASN A 12 40.168 -20.590 1.552 1.00 48.30 C ATOM 154 O ASN A 12 39.615 -20.080 0.572 1.00 47.63 O ATOM 155 CB ASN A 12 42.128 -19.186 2.532 1.00 49.61 C ATOM 156 CG ASN A 12 41.637 -17.851 1.994 1.00 48.72 C ATOM 157 OD1 ASN A 12 40.796 -17.201 2.597 1.00 47.74 O ATOM 158 ND2 ASN A 12 42.179 -17.353 0.906 1.00 49.15 N ATOM 0 H ASN A 12 42.251 -19.502 -0.059 1.00 51.01 H new ATOM 0 HA ASN A 12 41.987 -21.306 2.289 1.00 49.85 H new ATOM 0 HB2 ASN A 12 41.769 -19.301 3.555 1.00 49.61 H new ATOM 0 HB3 ASN A 12 43.217 -19.162 2.577 1.00 49.61 H new ATOM 0 HD21 ASN A 12 41.897 -16.432 0.572 1.00 49.15 H new ATOM 0 HD22 ASN A 12 42.882 -17.888 0.396 1.00 49.15 H new ATOM 165 N PRO A 13 39.472 -21.302 2.464 1.00 47.82 N ATOM 166 CA PRO A 13 38.029 -21.544 2.382 1.00 46.52 C ATOM 167 C PRO A 13 37.202 -20.366 2.916 1.00 44.81 C ATOM 168 O PRO A 13 37.641 -19.648 3.822 1.00 44.67 O ATOM 169 CB PRO A 13 37.792 -22.813 3.198 1.00 46.91 C ATOM 170 CG PRO A 13 38.855 -22.717 4.292 1.00 47.90 C ATOM 171 CD PRO A 13 40.037 -22.074 3.566 1.00 48.71 C ATOM 0 HA PRO A 13 37.708 -21.656 1.346 1.00 46.52 H new ATOM 0 HB2 PRO A 13 36.785 -22.844 3.614 1.00 46.91 H new ATOM 0 HB3 PRO A 13 37.914 -23.711 2.593 1.00 46.91 H new ATOM 0 HG2 PRO A 13 38.517 -22.109 5.131 1.00 47.90 H new ATOM 0 HG3 PRO A 13 39.112 -23.698 4.692 1.00 47.90 H new ATOM 0 HD2 PRO A 13 40.604 -21.432 4.240 1.00 48.71 H new ATOM 0 HD3 PRO A 13 40.725 -22.834 3.195 1.00 48.71 H new ATOM 179 N ALA A 14 35.993 -20.187 2.374 1.00 43.61 N ATOM 180 CA ALA A 14 35.143 -19.000 2.566 1.00 41.94 C ATOM 181 C ALA A 14 35.922 -17.658 2.483 1.00 41.29 C ATOM 182 O ALA A 14 35.877 -16.845 3.416 1.00 40.94 O ATOM 183 CB ALA A 14 34.298 -19.167 3.837 1.00 41.64 C ATOM 0 H ALA A 14 35.562 -20.886 1.769 1.00 43.61 H new ATOM 0 HA ALA A 14 34.453 -18.933 1.725 1.00 41.94 H new ATOM 0 HB1 ALA A 14 33.671 -18.286 3.975 1.00 41.64 H new ATOM 0 HB2 ALA A 14 33.667 -20.051 3.741 1.00 41.64 H new ATOM 0 HB3 ALA A 14 34.956 -19.283 4.699 1.00 41.64 H new ATOM 189 N PRO A 15 36.680 -17.420 1.392 1.00 41.29 N ATOM 190 CA PRO A 15 37.546 -16.250 1.260 1.00 40.95 C ATOM 191 C PRO A 15 36.741 -14.934 1.168 1.00 39.41 C ATOM 192 O PRO A 15 35.531 -14.965 0.899 1.00 38.54 O ATOM 193 CB PRO A 15 38.365 -16.508 -0.010 1.00 41.48 C ATOM 194 CG PRO A 15 37.416 -17.332 -0.875 1.00 41.36 C ATOM 195 CD PRO A 15 36.717 -18.207 0.162 1.00 41.70 C ATOM 0 HA PRO A 15 38.182 -16.121 2.136 1.00 40.95 H new ATOM 0 HB2 PRO A 15 38.652 -15.578 -0.500 1.00 41.48 H new ATOM 0 HB3 PRO A 15 39.285 -17.050 0.207 1.00 41.48 H new ATOM 0 HG2 PRO A 15 36.711 -16.704 -1.420 1.00 41.36 H new ATOM 0 HG3 PRO A 15 37.951 -17.926 -1.615 1.00 41.36 H new ATOM 0 HD2 PRO A 15 35.711 -18.470 -0.164 1.00 41.70 H new ATOM 0 HD3 PRO A 15 37.258 -19.141 0.313 1.00 41.70 H new ATOM 203 N PRO A 16 37.394 -13.766 1.343 1.00 39.15 N ATOM 204 CA PRO A 16 36.788 -12.460 1.095 1.00 37.86 C ATOM 205 C PRO A 16 36.148 -12.371 -0.301 1.00 37.01 C ATOM 206 O PRO A 16 36.748 -12.756 -1.310 1.00 37.40 O ATOM 207 CB PRO A 16 37.912 -11.438 1.295 1.00 38.29 C ATOM 208 CG PRO A 16 38.824 -12.135 2.304 1.00 39.47 C ATOM 209 CD PRO A 16 38.739 -13.598 1.877 1.00 40.21 C ATOM 0 HA PRO A 16 35.962 -12.269 1.780 1.00 37.86 H new ATOM 0 HB2 PRO A 16 38.432 -11.220 0.362 1.00 38.29 H new ATOM 0 HB3 PRO A 16 37.534 -10.490 1.678 1.00 38.29 H new ATOM 0 HG2 PRO A 16 39.845 -11.757 2.255 1.00 39.47 H new ATOM 0 HG3 PRO A 16 38.480 -11.991 3.328 1.00 39.47 H new ATOM 0 HD2 PRO A 16 39.493 -13.833 1.125 1.00 40.21 H new ATOM 0 HD3 PRO A 16 38.913 -14.265 2.722 1.00 40.21 H new ATOM 217 N GLU A 17 34.901 -11.904 -0.338 1.00 35.98 N ATOM 218 CA GLU A 17 34.007 -11.933 -1.499 1.00 35.24 C ATOM 219 C GLU A 17 33.151 -10.660 -1.588 1.00 34.18 C ATOM 220 O GLU A 17 32.760 -10.080 -0.566 1.00 33.85 O ATOM 221 CB GLU A 17 33.141 -13.215 -1.422 1.00 35.42 C ATOM 222 CG GLU A 17 31.896 -13.239 -2.327 1.00 35.00 C ATOM 223 CD GLU A 17 31.179 -14.594 -2.311 1.00 35.54 C ATOM 224 OE1 GLU A 17 30.725 -15.052 -1.234 1.00 35.74 O ATOM 225 OE2 GLU A 17 31.024 -15.217 -3.394 1.00 35.93 O ATOM 0 H GLU A 17 34.464 -11.475 0.478 1.00 35.98 H new ATOM 0 HA GLU A 17 34.598 -11.957 -2.415 1.00 35.24 H new ATOM 0 HB2 GLU A 17 33.768 -14.070 -1.676 1.00 35.42 H new ATOM 0 HB3 GLU A 17 32.819 -13.352 -0.390 1.00 35.42 H new ATOM 0 HG2 GLU A 17 31.203 -12.462 -2.005 1.00 35.00 H new ATOM 0 HG3 GLU A 17 32.190 -13.000 -3.349 1.00 35.00 H new ATOM 232 N SER A 18 32.804 -10.271 -2.819 1.00 33.76 N ATOM 233 CA SER A 18 31.807 -9.232 -3.110 1.00 32.86 C ATOM 234 C SER A 18 30.436 -9.601 -2.531 1.00 31.72 C ATOM 235 O SER A 18 29.736 -10.471 -3.059 1.00 31.61 O ATOM 236 CB SER A 18 31.696 -9.003 -4.619 1.00 33.26 C ATOM 237 OG SER A 18 32.774 -8.195 -5.051 1.00 33.83 O ATOM 0 H SER A 18 33.216 -10.677 -3.659 1.00 33.76 H new ATOM 0 HA SER A 18 32.140 -8.309 -2.635 1.00 32.86 H new ATOM 0 HB2 SER A 18 31.709 -9.958 -5.145 1.00 33.26 H new ATOM 0 HB3 SER A 18 30.748 -8.521 -4.856 1.00 33.26 H new ATOM 0 HG SER A 18 32.706 -8.048 -6.018 1.00 33.83 H new ATOM 243 N GLN A 19 30.072 -8.930 -1.436 1.00 31.02 N ATOM 244 CA GLN A 19 28.865 -9.157 -0.641 1.00 30.04 C ATOM 245 C GLN A 19 28.195 -7.803 -0.357 1.00 28.42 C ATOM 246 O GLN A 19 28.844 -6.881 0.151 1.00 28.24 O ATOM 247 CB GLN A 19 29.271 -9.915 0.643 1.00 30.79 C ATOM 248 CG GLN A 19 28.090 -10.375 1.513 1.00 30.70 C ATOM 249 CD GLN A 19 28.550 -11.176 2.735 1.00 31.64 C ATOM 250 OE1 GLN A 19 28.510 -10.716 3.873 1.00 31.43 O ATOM 251 NE2 GLN A 19 28.986 -12.403 2.570 1.00 32.84 N ATOM 0 H GLN A 19 30.643 -8.173 -1.061 1.00 31.02 H new ATOM 0 HA GLN A 19 28.134 -9.768 -1.170 1.00 30.04 H new ATOM 0 HB2 GLN A 19 29.861 -10.788 0.363 1.00 30.79 H new ATOM 0 HB3 GLN A 19 29.917 -9.272 1.240 1.00 30.79 H new ATOM 0 HG2 GLN A 19 27.523 -9.504 1.843 1.00 30.70 H new ATOM 0 HG3 GLN A 19 27.415 -10.986 0.913 1.00 30.70 H new ATOM 0 HE21 GLN A 19 29.029 -12.808 1.635 1.00 32.84 H new ATOM 0 HE22 GLN A 19 29.282 -12.952 3.377 1.00 32.84 H new ATOM 260 N GLU A 20 26.924 -7.645 -0.723 1.00 27.42 N ATOM 261 CA GLU A 20 26.197 -6.373 -0.593 1.00 25.99 C ATOM 262 C GLU A 20 24.747 -6.518 -0.110 1.00 24.52 C ATOM 263 O GLU A 20 24.113 -7.565 -0.287 1.00 24.70 O ATOM 264 CB GLU A 20 26.287 -5.555 -1.895 1.00 26.37 C ATOM 265 CG GLU A 20 25.806 -6.264 -3.164 1.00 26.81 C ATOM 266 CD GLU A 20 25.906 -5.305 -4.350 1.00 27.27 C ATOM 267 OE1 GLU A 20 27.033 -5.096 -4.865 1.00 28.06 O ATOM 268 OE2 GLU A 20 24.875 -4.691 -4.721 1.00 26.98 O ATOM 0 H GLU A 20 26.362 -8.397 -1.121 1.00 27.42 H new ATOM 0 HA GLU A 20 26.700 -5.823 0.202 1.00 25.99 H new ATOM 0 HB2 GLU A 20 25.705 -4.642 -1.769 1.00 26.37 H new ATOM 0 HB3 GLU A 20 27.324 -5.254 -2.041 1.00 26.37 H new ATOM 0 HG2 GLU A 20 26.410 -7.152 -3.349 1.00 26.81 H new ATOM 0 HG3 GLU A 20 24.776 -6.599 -3.039 1.00 26.81 H new ATOM 275 N LYS A 21 24.236 -5.451 0.520 1.00 23.21 N ATOM 276 CA LYS A 21 22.907 -5.372 1.150 1.00 21.72 C ATOM 277 C LYS A 21 22.334 -3.954 1.071 1.00 20.46 C ATOM 278 O LYS A 21 23.085 -2.986 1.234 1.00 20.55 O ATOM 279 CB LYS A 21 23.018 -5.796 2.640 1.00 21.54 C ATOM 280 CG LYS A 21 21.989 -6.841 3.097 1.00 20.99 C ATOM 281 CD LYS A 21 22.267 -8.198 2.444 1.00 22.03 C ATOM 282 CE LYS A 21 21.473 -9.336 3.086 1.00 21.93 C ATOM 283 NZ LYS A 21 21.696 -10.586 2.325 1.00 23.11 N ATOM 0 H LYS A 21 24.759 -4.580 0.609 1.00 23.21 H new ATOM 0 HA LYS A 21 22.236 -6.043 0.613 1.00 21.72 H new ATOM 0 HB2 LYS A 21 24.018 -6.192 2.816 1.00 21.54 H new ATOM 0 HB3 LYS A 21 22.913 -4.908 3.263 1.00 21.54 H new ATOM 0 HG2 LYS A 21 22.022 -6.941 4.182 1.00 20.99 H new ATOM 0 HG3 LYS A 21 20.984 -6.507 2.838 1.00 20.99 H new ATOM 0 HD2 LYS A 21 22.022 -8.143 1.383 1.00 22.03 H new ATOM 0 HD3 LYS A 21 23.332 -8.419 2.514 1.00 22.03 H new ATOM 0 HE2 LYS A 21 21.782 -9.469 4.123 1.00 21.93 H new ATOM 0 HE3 LYS A 21 20.411 -9.090 3.099 1.00 21.93 H new ATOM 0 HZ1 LYS A 21 21.156 -11.360 2.762 1.00 23.11 H new ATOM 0 HZ2 LYS A 21 21.381 -10.455 1.343 1.00 23.11 H new ATOM 0 HZ3 LYS A 21 22.709 -10.822 2.335 1.00 23.11 H new ATOM 297 N LYS A 22 21.008 -3.833 0.950 1.00 19.43 N ATOM 298 CA LYS A 22 20.262 -2.667 1.465 1.00 18.11 C ATOM 299 C LYS A 22 20.437 -2.617 3.000 1.00 16.90 C ATOM 300 O LYS A 22 20.196 -3.646 3.636 1.00 16.78 O ATOM 301 CB LYS A 22 18.783 -2.755 1.049 1.00 17.79 C ATOM 302 CG LYS A 22 17.921 -1.674 1.733 1.00 17.64 C ATOM 303 CD LYS A 22 16.776 -1.145 0.861 1.00 18.30 C ATOM 304 CE LYS A 22 17.343 -0.218 -0.223 1.00 19.41 C ATOM 305 NZ LYS A 22 16.270 0.520 -0.930 1.00 20.18 N ATOM 0 H LYS A 22 20.420 -4.532 0.497 1.00 19.43 H new ATOM 0 HA LYS A 22 20.651 -1.742 1.040 1.00 18.11 H new ATOM 0 HB2 LYS A 22 18.705 -2.649 -0.033 1.00 17.79 H new ATOM 0 HB3 LYS A 22 18.394 -3.741 1.302 1.00 17.79 H new ATOM 0 HG2 LYS A 22 17.504 -2.085 2.652 1.00 17.64 H new ATOM 0 HG3 LYS A 22 18.562 -0.840 2.018 1.00 17.64 H new ATOM 0 HD2 LYS A 22 16.242 -1.976 0.401 1.00 18.30 H new ATOM 0 HD3 LYS A 22 16.056 -0.605 1.476 1.00 18.30 H new ATOM 0 HE2 LYS A 22 18.035 0.492 0.231 1.00 19.41 H new ATOM 0 HE3 LYS A 22 17.915 -0.805 -0.941 1.00 19.41 H new ATOM 0 HZ1 LYS A 22 16.691 1.136 -1.655 1.00 20.18 H new ATOM 0 HZ2 LYS A 22 15.624 -0.157 -1.384 1.00 20.18 H new ATOM 0 HZ3 LYS A 22 15.740 1.100 -0.248 1.00 20.18 H new ATOM 319 N PRO A 23 20.838 -1.481 3.606 1.00 16.22 N ATOM 320 CA PRO A 23 21.098 -1.376 5.045 1.00 15.31 C ATOM 321 C PRO A 23 19.940 -1.785 5.967 1.00 14.06 C ATOM 322 O PRO A 23 18.767 -1.754 5.577 1.00 13.61 O ATOM 323 CB PRO A 23 21.490 0.084 5.286 1.00 15.11 C ATOM 324 CG PRO A 23 22.167 0.456 3.974 1.00 16.13 C ATOM 325 CD PRO A 23 21.308 -0.270 2.943 1.00 16.68 C ATOM 0 HA PRO A 23 21.880 -2.089 5.304 1.00 15.31 H new ATOM 0 HB2 PRO A 23 20.621 0.711 5.488 1.00 15.11 H new ATOM 0 HB3 PRO A 23 22.164 0.190 6.136 1.00 15.11 H new ATOM 0 HG2 PRO A 23 22.172 1.534 3.811 1.00 16.13 H new ATOM 0 HG3 PRO A 23 23.205 0.124 3.944 1.00 16.13 H new ATOM 0 HD2 PRO A 23 20.472 0.351 2.623 1.00 16.68 H new ATOM 0 HD3 PRO A 23 21.886 -0.511 2.051 1.00 16.68 H new ATOM 333 N LEU A 24 20.281 -2.142 7.210 1.00 13.73 N ATOM 334 CA LEU A 24 19.339 -2.460 8.288 1.00 12.71 C ATOM 335 C LEU A 24 19.280 -1.297 9.291 1.00 11.70 C ATOM 336 O LEU A 24 20.323 -0.789 9.717 1.00 12.14 O ATOM 337 CB LEU A 24 19.719 -3.783 8.986 1.00 13.56 C ATOM 338 CG LEU A 24 19.381 -5.067 8.199 1.00 14.35 C ATOM 339 CD1 LEU A 24 20.344 -5.356 7.042 1.00 15.57 C ATOM 340 CD2 LEU A 24 19.435 -6.270 9.141 1.00 15.07 C ATOM 0 H LEU A 24 21.255 -2.220 7.503 1.00 13.73 H new ATOM 0 HA LEU A 24 18.347 -2.596 7.857 1.00 12.71 H new ATOM 0 HB2 LEU A 24 20.790 -3.773 9.189 1.00 13.56 H new ATOM 0 HB3 LEU A 24 19.212 -3.824 9.950 1.00 13.56 H new ATOM 0 HG LEU A 24 18.387 -4.905 7.781 1.00 14.35 H new ATOM 0 HD11 LEU A 24 20.041 -6.273 6.537 1.00 15.57 H new ATOM 0 HD12 LEU A 24 20.321 -4.528 6.334 1.00 15.57 H new ATOM 0 HD13 LEU A 24 21.356 -5.473 7.431 1.00 15.57 H new ATOM 0 HD21 LEU A 24 19.196 -7.177 8.586 1.00 15.07 H new ATOM 0 HD22 LEU A 24 20.436 -6.356 9.564 1.00 15.07 H new ATOM 0 HD23 LEU A 24 18.711 -6.135 9.945 1.00 15.07 H new ATOM 352 N LYS A 25 18.066 -0.852 9.645 1.00 10.61 N ATOM 353 CA LYS A 25 17.819 0.340 10.484 1.00 9.76 C ATOM 354 C LYS A 25 16.625 0.134 11.434 1.00 8.79 C ATOM 355 O LYS A 25 15.671 -0.552 11.051 1.00 8.55 O ATOM 356 CB LYS A 25 17.587 1.579 9.590 1.00 9.73 C ATOM 357 CG LYS A 25 18.800 1.920 8.705 1.00 11.00 C ATOM 358 CD LYS A 25 18.591 3.205 7.896 1.00 11.54 C ATOM 359 CE LYS A 25 19.778 3.395 6.943 1.00 12.61 C ATOM 360 NZ LYS A 25 19.593 4.569 6.069 1.00 13.44 N ATOM 0 H LYS A 25 17.207 -1.317 9.352 1.00 10.61 H new ATOM 0 HA LYS A 25 18.703 0.501 11.101 1.00 9.76 H new ATOM 0 HB2 LYS A 25 16.719 1.404 8.955 1.00 9.73 H new ATOM 0 HB3 LYS A 25 17.352 2.436 10.221 1.00 9.73 H new ATOM 0 HG2 LYS A 25 19.685 2.029 9.332 1.00 11.00 H new ATOM 0 HG3 LYS A 25 18.993 1.092 8.023 1.00 11.00 H new ATOM 0 HD2 LYS A 25 17.661 3.147 7.331 1.00 11.54 H new ATOM 0 HD3 LYS A 25 18.505 4.061 8.565 1.00 11.54 H new ATOM 0 HE2 LYS A 25 20.694 3.513 7.522 1.00 12.61 H new ATOM 0 HE3 LYS A 25 19.900 2.501 6.331 1.00 12.61 H new ATOM 0 HZ1 LYS A 25 20.415 4.666 5.439 1.00 13.44 H new ATOM 0 HZ2 LYS A 25 18.732 4.445 5.499 1.00 13.44 H new ATOM 0 HZ3 LYS A 25 19.502 5.425 6.652 1.00 13.44 H new ATOM 374 N PRO A 26 16.614 0.745 12.636 1.00 8.60 N ATOM 375 CA PRO A 26 15.456 0.730 13.535 1.00 7.77 C ATOM 376 C PRO A 26 14.308 1.593 12.988 1.00 6.47 C ATOM 377 O PRO A 26 14.548 2.565 12.270 1.00 6.62 O ATOM 378 CB PRO A 26 15.978 1.275 14.865 1.00 8.55 C ATOM 379 CG PRO A 26 17.076 2.245 14.434 1.00 9.36 C ATOM 380 CD PRO A 26 17.675 1.572 13.200 1.00 9.54 C ATOM 0 HA PRO A 26 15.041 -0.272 13.642 1.00 7.77 H new ATOM 0 HB2 PRO A 26 15.194 1.779 15.430 1.00 8.55 H new ATOM 0 HB3 PRO A 26 16.369 0.481 15.501 1.00 8.55 H new ATOM 0 HG2 PRO A 26 16.673 3.230 14.199 1.00 9.36 H new ATOM 0 HG3 PRO A 26 17.821 2.384 15.218 1.00 9.36 H new ATOM 0 HD2 PRO A 26 18.016 2.314 12.478 1.00 9.54 H new ATOM 0 HD3 PRO A 26 18.541 0.966 13.468 1.00 9.54 H new ATOM 388 N CYS A 27 13.060 1.270 13.330 1.00 5.76 N ATOM 389 CA CYS A 27 11.864 1.931 12.787 1.00 4.99 C ATOM 390 C CYS A 27 10.652 1.815 13.736 1.00 4.05 C ATOM 391 O CYS A 27 10.600 0.901 14.563 1.00 4.93 O ATOM 392 CB CYS A 27 11.575 1.286 11.419 1.00 6.09 C ATOM 393 SG CYS A 27 10.377 2.257 10.470 1.00 7.04 S ATOM 0 H CYS A 27 12.845 0.532 14.001 1.00 5.76 H new ATOM 0 HA CYS A 27 12.045 3.000 12.679 1.00 4.99 H new ATOM 0 HB2 CYS A 27 12.503 1.197 10.854 1.00 6.09 H new ATOM 0 HB3 CYS A 27 11.193 0.276 11.565 1.00 6.09 H new ATOM 0 HG CYS A 27 10.611 2.113 9.199 1.00 7.04 H new ATOM 399 N CYS A 28 9.680 2.727 13.609 1.00 2.88 N ATOM 400 CA CYS A 28 8.374 2.700 14.295 1.00 2.33 C ATOM 401 C CYS A 28 7.172 2.639 13.324 1.00 2.23 C ATOM 402 O CYS A 28 6.017 2.660 13.764 1.00 2.92 O ATOM 403 CB CYS A 28 8.270 3.923 15.222 1.00 2.50 C ATOM 404 SG CYS A 28 9.351 3.702 16.656 1.00 3.44 S ATOM 0 H CYS A 28 9.782 3.539 13.001 1.00 2.88 H new ATOM 0 HA CYS A 28 8.326 1.780 14.878 1.00 2.33 H new ATOM 0 HB2 CYS A 28 8.550 4.826 14.680 1.00 2.50 H new ATOM 0 HB3 CYS A 28 7.239 4.055 15.550 1.00 2.50 H new ATOM 0 HG CYS A 28 9.259 4.740 17.433 1.00 3.44 H new ATOM 410 N ALA A 29 7.437 2.575 12.017 1.00 1.69 N ATOM 411 CA ALA A 29 6.463 2.532 10.927 1.00 1.57 C ATOM 412 C ALA A 29 6.405 1.128 10.294 1.00 1.36 C ATOM 413 O ALA A 29 7.106 0.219 10.746 1.00 1.41 O ATOM 414 CB ALA A 29 6.877 3.607 9.912 1.00 1.66 C ATOM 0 H ALA A 29 8.397 2.550 11.672 1.00 1.69 H new ATOM 0 HA ALA A 29 5.457 2.735 11.293 1.00 1.57 H new ATOM 0 HB1 ALA A 29 6.175 3.610 9.078 1.00 1.66 H new ATOM 0 HB2 ALA A 29 6.872 4.584 10.395 1.00 1.66 H new ATOM 0 HB3 ALA A 29 7.879 3.391 9.541 1.00 1.66 H new ATOM 420 N SER A 30 5.634 0.966 9.215 1.00 1.25 N ATOM 421 CA SER A 30 5.576 -0.254 8.397 1.00 1.08 C ATOM 422 C SER A 30 6.102 0.000 6.972 1.00 0.94 C ATOM 423 O SER A 30 5.337 -0.029 6.002 1.00 1.04 O ATOM 424 CB SER A 30 4.161 -0.840 8.403 1.00 1.24 C ATOM 425 OG SER A 30 3.803 -1.196 9.728 1.00 1.84 O ATOM 0 H SER A 30 5.014 1.701 8.874 1.00 1.25 H new ATOM 0 HA SER A 30 6.236 -0.999 8.841 1.00 1.08 H new ATOM 0 HB2 SER A 30 3.453 -0.112 8.006 1.00 1.24 H new ATOM 0 HB3 SER A 30 4.115 -1.715 7.755 1.00 1.24 H new ATOM 0 HG SER A 30 2.897 -1.569 9.733 1.00 1.84 H new ATOM 431 N PRO A 31 7.414 0.276 6.809 1.00 0.84 N ATOM 432 CA PRO A 31 8.002 0.634 5.518 1.00 0.86 C ATOM 433 C PRO A 31 7.843 -0.444 4.435 1.00 0.70 C ATOM 434 O PRO A 31 7.819 -0.110 3.252 1.00 0.75 O ATOM 435 CB PRO A 31 9.478 0.915 5.815 1.00 1.01 C ATOM 436 CG PRO A 31 9.762 0.091 7.070 1.00 0.97 C ATOM 437 CD PRO A 31 8.453 0.257 7.833 1.00 0.91 C ATOM 0 HA PRO A 31 7.484 1.496 5.098 1.00 0.86 H new ATOM 0 HB2 PRO A 31 10.117 0.613 4.985 1.00 1.01 H new ATOM 0 HB3 PRO A 31 9.657 1.977 5.985 1.00 1.01 H new ATOM 0 HG2 PRO A 31 9.974 -0.953 6.838 1.00 0.97 H new ATOM 0 HG3 PRO A 31 10.616 0.473 7.629 1.00 0.97 H new ATOM 0 HD2 PRO A 31 8.299 -0.563 8.535 1.00 0.91 H new ATOM 0 HD3 PRO A 31 8.450 1.179 8.414 1.00 0.91 H new ATOM 445 N GLU A 32 7.668 -1.720 4.795 1.00 0.60 N ATOM 446 CA GLU A 32 7.489 -2.801 3.815 1.00 0.60 C ATOM 447 C GLU A 32 6.086 -2.778 3.189 1.00 0.56 C ATOM 448 O GLU A 32 5.926 -3.215 2.045 1.00 0.59 O ATOM 449 CB GLU A 32 7.806 -4.182 4.427 1.00 0.88 C ATOM 450 CG GLU A 32 9.196 -4.220 5.075 1.00 2.21 C ATOM 451 CD GLU A 32 9.601 -5.606 5.590 1.00 2.75 C ATOM 452 OE1 GLU A 32 9.577 -6.589 4.808 1.00 3.87 O ATOM 453 OE2 GLU A 32 10.030 -5.722 6.767 1.00 3.13 O ATOM 0 H GLU A 32 7.646 -2.033 5.766 1.00 0.60 H new ATOM 0 HA GLU A 32 8.206 -2.624 3.013 1.00 0.60 H new ATOM 0 HB2 GLU A 32 7.051 -4.429 5.174 1.00 0.88 H new ATOM 0 HB3 GLU A 32 7.747 -4.944 3.650 1.00 0.88 H new ATOM 0 HG2 GLU A 32 9.935 -3.883 4.348 1.00 2.21 H new ATOM 0 HG3 GLU A 32 9.219 -3.513 5.905 1.00 2.21 H new ATOM 460 N THR A 33 5.071 -2.229 3.875 1.00 0.61 N ATOM 461 CA THR A 33 3.748 -2.021 3.255 1.00 0.64 C ATOM 462 C THR A 33 3.769 -0.816 2.311 1.00 0.61 C ATOM 463 O THR A 33 3.226 -0.894 1.208 1.00 0.59 O ATOM 464 CB THR A 33 2.580 -1.938 4.260 1.00 0.84 C ATOM 465 OG1 THR A 33 2.624 -0.781 5.061 1.00 0.88 O ATOM 466 CG2 THR A 33 2.535 -3.134 5.209 1.00 0.93 C ATOM 0 H THR A 33 5.136 -1.924 4.846 1.00 0.61 H new ATOM 0 HA THR A 33 3.551 -2.920 2.671 1.00 0.64 H new ATOM 0 HB THR A 33 1.691 -1.920 3.629 1.00 0.84 H new ATOM 0 HG1 THR A 33 1.833 -0.753 5.639 1.00 0.88 H new ATOM 0 HG21 THR A 33 1.694 -3.024 5.894 1.00 0.93 H new ATOM 0 HG22 THR A 33 2.415 -4.051 4.633 1.00 0.93 H new ATOM 0 HG23 THR A 33 3.463 -3.182 5.779 1.00 0.93 H new ATOM 474 N LYS A 34 4.502 0.250 2.668 1.00 0.67 N ATOM 475 CA LYS A 34 4.803 1.391 1.781 1.00 0.74 C ATOM 476 C LYS A 34 5.556 0.949 0.522 1.00 0.66 C ATOM 477 O LYS A 34 5.107 1.240 -0.587 1.00 0.69 O ATOM 478 CB LYS A 34 5.565 2.472 2.578 1.00 0.95 C ATOM 479 CG LYS A 34 6.374 3.468 1.728 1.00 1.05 C ATOM 480 CD LYS A 34 5.559 4.321 0.741 1.00 2.60 C ATOM 481 CE LYS A 34 6.515 4.941 -0.290 1.00 3.25 C ATOM 482 NZ LYS A 34 5.791 5.663 -1.362 1.00 4.33 N ATOM 0 H LYS A 34 4.911 0.348 3.597 1.00 0.67 H new ATOM 0 HA LYS A 34 3.867 1.824 1.427 1.00 0.74 H new ATOM 0 HB2 LYS A 34 4.847 3.031 3.178 1.00 0.95 H new ATOM 0 HB3 LYS A 34 6.244 1.977 3.272 1.00 0.95 H new ATOM 0 HG2 LYS A 34 6.912 4.137 2.400 1.00 1.05 H new ATOM 0 HG3 LYS A 34 7.124 2.912 1.165 1.00 1.05 H new ATOM 0 HD2 LYS A 34 4.812 3.706 0.240 1.00 2.60 H new ATOM 0 HD3 LYS A 34 5.021 5.104 1.275 1.00 2.60 H new ATOM 0 HE2 LYS A 34 7.194 5.629 0.214 1.00 3.25 H new ATOM 0 HE3 LYS A 34 7.128 4.156 -0.733 1.00 3.25 H new ATOM 0 HZ1 LYS A 34 6.476 6.064 -2.034 1.00 4.33 H new ATOM 0 HZ2 LYS A 34 5.162 5.003 -1.862 1.00 4.33 H new ATOM 0 HZ3 LYS A 34 5.226 6.430 -0.944 1.00 4.33 H new ATOM 496 N LYS A 35 6.680 0.234 0.659 1.00 0.59 N ATOM 497 CA LYS A 35 7.478 -0.247 -0.485 1.00 0.55 C ATOM 498 C LYS A 35 6.677 -1.207 -1.366 1.00 0.43 C ATOM 499 O LYS A 35 6.738 -1.072 -2.589 1.00 0.45 O ATOM 500 CB LYS A 35 8.800 -0.871 0.004 1.00 0.67 C ATOM 501 CG LYS A 35 10.005 0.086 -0.047 1.00 0.93 C ATOM 502 CD LYS A 35 9.819 1.429 0.677 1.00 1.14 C ATOM 503 CE LYS A 35 11.136 2.213 0.637 1.00 1.54 C ATOM 504 NZ LYS A 35 10.964 3.602 1.113 1.00 2.81 N ATOM 0 H LYS A 35 7.065 -0.030 1.566 1.00 0.59 H new ATOM 0 HA LYS A 35 7.729 0.609 -1.111 1.00 0.55 H new ATOM 0 HB2 LYS A 35 8.668 -1.217 1.029 1.00 0.67 H new ATOM 0 HB3 LYS A 35 9.021 -1.749 -0.603 1.00 0.67 H new ATOM 0 HG2 LYS A 35 10.868 -0.422 0.384 1.00 0.93 H new ATOM 0 HG3 LYS A 35 10.242 0.287 -1.092 1.00 0.93 H new ATOM 0 HD2 LYS A 35 9.025 2.005 0.201 1.00 1.14 H new ATOM 0 HD3 LYS A 35 9.515 1.259 1.710 1.00 1.14 H new ATOM 0 HE2 LYS A 35 11.879 1.707 1.254 1.00 1.54 H new ATOM 0 HE3 LYS A 35 11.522 2.223 -0.382 1.00 1.54 H new ATOM 0 HZ1 LYS A 35 11.877 4.099 1.071 1.00 2.81 H new ATOM 0 HZ2 LYS A 35 10.274 4.093 0.509 1.00 2.81 H new ATOM 0 HZ3 LYS A 35 10.620 3.593 2.094 1.00 2.81 H new ATOM 518 N ALA A 36 5.856 -2.077 -0.765 1.00 0.41 N ATOM 519 CA ALA A 36 4.952 -2.959 -1.513 1.00 0.39 C ATOM 520 C ALA A 36 3.831 -2.206 -2.265 1.00 0.38 C ATOM 521 O ALA A 36 3.448 -2.626 -3.361 1.00 0.39 O ATOM 522 CB ALA A 36 4.364 -3.999 -0.553 1.00 0.46 C ATOM 0 H ALA A 36 5.800 -2.189 0.247 1.00 0.41 H new ATOM 0 HA ALA A 36 5.541 -3.448 -2.289 1.00 0.39 H new ATOM 0 HB1 ALA A 36 3.691 -4.659 -1.100 1.00 0.46 H new ATOM 0 HB2 ALA A 36 5.171 -4.586 -0.114 1.00 0.46 H new ATOM 0 HB3 ALA A 36 3.812 -3.492 0.239 1.00 0.46 H new ATOM 528 N ARG A 37 3.321 -1.093 -1.713 1.00 0.44 N ATOM 529 CA ARG A 37 2.338 -0.211 -2.367 1.00 0.53 C ATOM 530 C ARG A 37 2.948 0.559 -3.537 1.00 0.48 C ATOM 531 O ARG A 37 2.402 0.504 -4.635 1.00 0.47 O ATOM 532 CB ARG A 37 1.693 0.707 -1.318 1.00 0.79 C ATOM 533 CG ARG A 37 0.603 1.615 -1.915 1.00 0.86 C ATOM 534 CD ARG A 37 -0.219 2.311 -0.823 1.00 1.24 C ATOM 535 NE ARG A 37 0.618 3.159 0.043 1.00 2.28 N ATOM 536 CZ ARG A 37 0.811 4.484 -0.085 1.00 2.44 C ATOM 537 NH1 ARG A 37 0.222 5.194 -1.059 1.00 2.17 N ATOM 538 NH2 ARG A 37 1.614 5.109 0.787 1.00 3.77 N ATOM 0 H ARG A 37 3.585 -0.774 -0.781 1.00 0.44 H new ATOM 0 HA ARG A 37 1.551 -0.824 -2.806 1.00 0.53 H new ATOM 0 HB2 ARG A 37 1.259 0.098 -0.525 1.00 0.79 H new ATOM 0 HB3 ARG A 37 2.464 1.325 -0.859 1.00 0.79 H new ATOM 0 HG2 ARG A 37 1.066 2.366 -2.556 1.00 0.86 H new ATOM 0 HG3 ARG A 37 -0.059 1.022 -2.546 1.00 0.86 H new ATOM 0 HD2 ARG A 37 -0.995 2.921 -1.286 1.00 1.24 H new ATOM 0 HD3 ARG A 37 -0.724 1.560 -0.216 1.00 1.24 H new ATOM 0 HE ARG A 37 1.098 2.696 0.815 1.00 2.28 H new ATOM 0 HH11 ARG A 37 -0.392 4.730 -1.728 1.00 2.17 H new ATOM 0 HH12 ARG A 37 0.388 6.198 -1.130 1.00 2.17 H new ATOM 0 HH21 ARG A 37 2.067 4.580 1.532 1.00 3.77 H new ATOM 0 HH22 ARG A 37 1.772 6.113 0.705 1.00 3.77 H new ATOM 552 N ASP A 38 4.111 1.181 -3.340 1.00 0.52 N ATOM 553 CA ASP A 38 4.877 1.863 -4.386 1.00 0.62 C ATOM 554 C ASP A 38 5.183 0.908 -5.546 1.00 0.56 C ATOM 555 O ASP A 38 4.924 1.251 -6.695 1.00 0.64 O ATOM 556 CB ASP A 38 6.170 2.435 -3.781 1.00 0.75 C ATOM 557 CG ASP A 38 7.147 2.951 -4.846 1.00 2.18 C ATOM 558 OD1 ASP A 38 6.882 4.023 -5.443 1.00 2.84 O ATOM 559 OD2 ASP A 38 8.190 2.285 -5.059 1.00 3.60 O ATOM 0 H ASP A 38 4.559 1.226 -2.425 1.00 0.52 H new ATOM 0 HA ASP A 38 4.284 2.684 -4.788 1.00 0.62 H new ATOM 0 HB2 ASP A 38 5.918 3.249 -3.101 1.00 0.75 H new ATOM 0 HB3 ASP A 38 6.661 1.663 -3.188 1.00 0.75 H new ATOM 564 N ALA A 39 5.639 -0.311 -5.243 1.00 0.50 N ATOM 565 CA ALA A 39 5.894 -1.357 -6.229 1.00 0.53 C ATOM 566 C ALA A 39 4.617 -1.817 -6.954 1.00 0.46 C ATOM 567 O ALA A 39 4.634 -2.002 -8.173 1.00 0.57 O ATOM 568 CB ALA A 39 6.573 -2.524 -5.515 1.00 0.56 C ATOM 0 H ALA A 39 5.844 -0.601 -4.287 1.00 0.50 H new ATOM 0 HA ALA A 39 6.543 -0.955 -7.007 1.00 0.53 H new ATOM 0 HB1 ALA A 39 6.775 -3.321 -6.231 1.00 0.56 H new ATOM 0 HB2 ALA A 39 7.511 -2.185 -5.075 1.00 0.56 H new ATOM 0 HB3 ALA A 39 5.918 -2.900 -4.729 1.00 0.56 H new ATOM 574 N CYS A 40 3.493 -1.946 -6.236 1.00 0.33 N ATOM 575 CA CYS A 40 2.207 -2.272 -6.850 1.00 0.29 C ATOM 576 C CYS A 40 1.767 -1.188 -7.843 1.00 0.28 C ATOM 577 O CYS A 40 1.425 -1.519 -8.976 1.00 0.38 O ATOM 578 CB CYS A 40 1.146 -2.540 -5.769 1.00 0.29 C ATOM 579 SG CYS A 40 -0.399 -3.287 -6.375 1.00 0.39 S ATOM 0 H CYS A 40 3.453 -1.828 -5.224 1.00 0.33 H new ATOM 0 HA CYS A 40 2.325 -3.189 -7.428 1.00 0.29 H new ATOM 0 HB2 CYS A 40 1.577 -3.196 -5.013 1.00 0.29 H new ATOM 0 HB3 CYS A 40 0.907 -1.598 -5.275 1.00 0.29 H new ATOM 584 N ILE A 41 1.858 0.097 -7.474 1.00 0.31 N ATOM 585 CA ILE A 41 1.563 1.210 -8.387 1.00 0.46 C ATOM 586 C ILE A 41 2.565 1.234 -9.556 1.00 0.57 C ATOM 587 O ILE A 41 2.147 1.433 -10.698 1.00 0.72 O ATOM 588 CB ILE A 41 1.482 2.553 -7.609 1.00 0.63 C ATOM 589 CG1 ILE A 41 0.074 2.784 -7.007 1.00 0.69 C ATOM 590 CG2 ILE A 41 1.770 3.773 -8.506 1.00 0.88 C ATOM 591 CD1 ILE A 41 -0.337 1.853 -5.864 1.00 0.58 C ATOM 0 H ILE A 41 2.137 0.393 -6.539 1.00 0.31 H new ATOM 0 HA ILE A 41 0.580 1.060 -8.833 1.00 0.46 H new ATOM 0 HB ILE A 41 2.237 2.467 -6.828 1.00 0.63 H new ATOM 0 HG12 ILE A 41 0.020 3.811 -6.647 1.00 0.69 H new ATOM 0 HG13 ILE A 41 -0.660 2.688 -7.807 1.00 0.69 H new ATOM 0 HG21 ILE A 41 1.700 4.685 -7.913 1.00 0.88 H new ATOM 0 HG22 ILE A 41 2.773 3.688 -8.925 1.00 0.88 H new ATOM 0 HG23 ILE A 41 1.041 3.810 -9.315 1.00 0.88 H new ATOM 0 HD11 ILE A 41 -1.341 2.112 -5.527 1.00 0.58 H new ATOM 0 HD12 ILE A 41 -0.327 0.821 -6.214 1.00 0.58 H new ATOM 0 HD13 ILE A 41 0.364 1.962 -5.036 1.00 0.58 H new ATOM 603 N ILE A 42 3.854 0.967 -9.313 1.00 0.61 N ATOM 604 CA ILE A 42 4.900 0.941 -10.361 1.00 0.81 C ATOM 605 C ILE A 42 4.715 -0.226 -11.355 1.00 0.88 C ATOM 606 O ILE A 42 5.128 -0.109 -12.512 1.00 1.19 O ATOM 607 CB ILE A 42 6.303 0.988 -9.700 1.00 1.02 C ATOM 608 CG1 ILE A 42 6.612 2.398 -9.133 1.00 1.16 C ATOM 609 CG2 ILE A 42 7.457 0.532 -10.611 1.00 1.28 C ATOM 610 CD1 ILE A 42 6.899 3.505 -10.162 1.00 2.47 C ATOM 0 H ILE A 42 4.210 0.761 -8.380 1.00 0.61 H new ATOM 0 HA ILE A 42 4.802 1.834 -10.979 1.00 0.81 H new ATOM 0 HB ILE A 42 6.247 0.263 -8.888 1.00 1.02 H new ATOM 0 HG12 ILE A 42 5.766 2.712 -8.521 1.00 1.16 H new ATOM 0 HG13 ILE A 42 7.473 2.318 -8.470 1.00 1.16 H new ATOM 0 HG21 ILE A 42 8.399 0.598 -10.066 1.00 1.28 H new ATOM 0 HG22 ILE A 42 7.289 -0.499 -10.922 1.00 1.28 H new ATOM 0 HG23 ILE A 42 7.501 1.174 -11.491 1.00 1.28 H new ATOM 0 HD11 ILE A 42 7.100 4.442 -9.642 1.00 2.47 H new ATOM 0 HD12 ILE A 42 7.767 3.229 -10.761 1.00 2.47 H new ATOM 0 HD13 ILE A 42 6.034 3.630 -10.813 1.00 2.47 H new ATOM 622 N GLU A 43 4.044 -1.312 -10.960 1.00 0.75 N ATOM 623 CA GLU A 43 3.569 -2.361 -11.875 1.00 0.88 C ATOM 624 C GLU A 43 2.206 -2.042 -12.524 1.00 0.96 C ATOM 625 O GLU A 43 2.116 -1.903 -13.748 1.00 1.54 O ATOM 626 CB GLU A 43 3.471 -3.708 -11.139 1.00 0.97 C ATOM 627 CG GLU A 43 4.815 -4.373 -10.836 1.00 1.33 C ATOM 628 CD GLU A 43 4.595 -5.852 -10.502 1.00 1.92 C ATOM 629 OE1 GLU A 43 4.323 -6.197 -9.328 1.00 2.91 O ATOM 630 OE2 GLU A 43 4.647 -6.710 -11.413 1.00 2.54 O ATOM 0 H GLU A 43 3.811 -1.492 -9.983 1.00 0.75 H new ATOM 0 HA GLU A 43 4.305 -2.413 -12.677 1.00 0.88 H new ATOM 0 HB2 GLU A 43 2.937 -3.555 -10.201 1.00 0.97 H new ATOM 0 HB3 GLU A 43 2.871 -4.391 -11.740 1.00 0.97 H new ATOM 0 HG2 GLU A 43 5.480 -4.279 -11.694 1.00 1.33 H new ATOM 0 HG3 GLU A 43 5.301 -3.870 -10.000 1.00 1.33 H new ATOM 637 N LYS A 44 1.137 -1.965 -11.718 1.00 0.55 N ATOM 638 CA LYS A 44 -0.269 -2.120 -12.149 1.00 0.60 C ATOM 639 C LYS A 44 -1.092 -0.823 -12.151 1.00 0.61 C ATOM 640 O LYS A 44 -2.181 -0.807 -12.726 1.00 0.96 O ATOM 641 CB LYS A 44 -0.999 -3.132 -11.242 1.00 0.72 C ATOM 642 CG LYS A 44 -0.292 -4.461 -10.904 1.00 1.02 C ATOM 643 CD LYS A 44 -1.250 -5.340 -10.076 1.00 1.09 C ATOM 644 CE LYS A 44 -0.621 -6.597 -9.452 1.00 1.65 C ATOM 645 NZ LYS A 44 -0.279 -7.647 -10.439 1.00 2.56 N ATOM 0 H LYS A 44 1.225 -1.788 -10.717 1.00 0.55 H new ATOM 0 HA LYS A 44 -0.201 -2.464 -13.181 1.00 0.60 H new ATOM 0 HB2 LYS A 44 -1.228 -2.630 -10.302 1.00 0.72 H new ATOM 0 HB3 LYS A 44 -1.951 -3.374 -11.714 1.00 0.72 H new ATOM 0 HG2 LYS A 44 -0.003 -4.977 -11.819 1.00 1.02 H new ATOM 0 HG3 LYS A 44 0.623 -4.269 -10.343 1.00 1.02 H new ATOM 0 HD2 LYS A 44 -1.674 -4.732 -9.277 1.00 1.09 H new ATOM 0 HD3 LYS A 44 -2.077 -5.648 -10.716 1.00 1.09 H new ATOM 0 HE2 LYS A 44 0.282 -6.311 -8.913 1.00 1.65 H new ATOM 0 HE3 LYS A 44 -1.312 -7.012 -8.719 1.00 1.65 H new ATOM 0 HZ1 LYS A 44 0.140 -8.462 -9.947 1.00 2.56 H new ATOM 0 HZ2 LYS A 44 -1.140 -7.948 -10.938 1.00 2.56 H new ATOM 0 HZ3 LYS A 44 0.404 -7.269 -11.126 1.00 2.56 H new ATOM 659 N GLY A 45 -0.615 0.234 -11.491 1.00 0.59 N ATOM 660 CA GLY A 45 -1.387 1.457 -11.238 1.00 0.69 C ATOM 661 C GLY A 45 -2.386 1.354 -10.072 1.00 0.69 C ATOM 662 O GLY A 45 -2.705 0.271 -9.578 1.00 0.75 O ATOM 0 H GLY A 45 0.331 0.267 -11.111 1.00 0.59 H new ATOM 0 HA2 GLY A 45 -0.694 2.273 -11.034 1.00 0.69 H new ATOM 0 HA3 GLY A 45 -1.932 1.721 -12.144 1.00 0.69 H new ATOM 666 N GLU A 46 -2.902 2.501 -9.622 1.00 0.84 N ATOM 667 CA GLU A 46 -3.755 2.625 -8.419 1.00 0.98 C ATOM 668 C GLU A 46 -5.085 1.852 -8.541 1.00 0.98 C ATOM 669 O GLU A 46 -5.647 1.372 -7.555 1.00 1.17 O ATOM 670 CB GLU A 46 -4.038 4.119 -8.151 1.00 1.20 C ATOM 671 CG GLU A 46 -2.773 4.914 -7.783 1.00 1.37 C ATOM 672 CD GLU A 46 -3.044 6.420 -7.663 1.00 1.98 C ATOM 673 OE1 GLU A 46 -3.092 7.106 -8.711 1.00 3.01 O ATOM 674 OE2 GLU A 46 -3.176 6.941 -6.528 1.00 2.62 O ATOM 0 H GLU A 46 -2.740 3.393 -10.088 1.00 0.84 H new ATOM 0 HA GLU A 46 -3.211 2.181 -7.585 1.00 0.98 H new ATOM 0 HB2 GLU A 46 -4.494 4.561 -9.037 1.00 1.20 H new ATOM 0 HB3 GLU A 46 -4.763 4.206 -7.342 1.00 1.20 H new ATOM 0 HG2 GLU A 46 -2.375 4.543 -6.839 1.00 1.37 H new ATOM 0 HG3 GLU A 46 -2.007 4.744 -8.540 1.00 1.37 H new ATOM 681 N GLU A 47 -5.564 1.674 -9.773 1.00 0.89 N ATOM 682 CA GLU A 47 -6.830 1.023 -10.134 1.00 0.98 C ATOM 683 C GLU A 47 -6.807 -0.524 -10.097 1.00 0.99 C ATOM 684 O GLU A 47 -7.829 -1.158 -10.374 1.00 1.61 O ATOM 685 CB GLU A 47 -7.293 1.578 -11.492 1.00 1.08 C ATOM 686 CG GLU A 47 -6.304 1.321 -12.643 1.00 1.99 C ATOM 687 CD GLU A 47 -6.780 1.989 -13.936 1.00 2.72 C ATOM 688 OE1 GLU A 47 -7.810 1.538 -14.496 1.00 3.42 O ATOM 689 OE2 GLU A 47 -6.124 2.952 -14.406 1.00 3.48 O ATOM 0 H GLU A 47 -5.052 1.997 -10.594 1.00 0.89 H new ATOM 0 HA GLU A 47 -7.557 1.270 -9.360 1.00 0.98 H new ATOM 0 HB2 GLU A 47 -8.255 1.132 -11.746 1.00 1.08 H new ATOM 0 HB3 GLU A 47 -7.454 2.652 -11.398 1.00 1.08 H new ATOM 0 HG2 GLU A 47 -5.320 1.703 -12.373 1.00 1.99 H new ATOM 0 HG3 GLU A 47 -6.197 0.248 -12.802 1.00 1.99 H new ATOM 696 N HIS A 48 -5.671 -1.146 -9.766 1.00 0.77 N ATOM 697 CA HIS A 48 -5.534 -2.599 -9.517 1.00 0.76 C ATOM 698 C HIS A 48 -4.876 -2.925 -8.155 1.00 0.61 C ATOM 699 O HIS A 48 -4.636 -4.094 -7.834 1.00 0.73 O ATOM 700 CB HIS A 48 -4.781 -3.252 -10.690 1.00 0.93 C ATOM 701 CG HIS A 48 -5.641 -3.595 -11.884 1.00 1.52 C ATOM 702 ND1 HIS A 48 -6.668 -2.849 -12.410 1.00 2.24 N ATOM 703 CD2 HIS A 48 -5.527 -4.715 -12.661 1.00 2.43 C ATOM 704 CE1 HIS A 48 -7.144 -3.479 -13.492 1.00 2.51 C ATOM 705 NE2 HIS A 48 -6.482 -4.635 -13.689 1.00 2.63 N ATOM 0 H HIS A 48 -4.790 -0.644 -9.659 1.00 0.77 H new ATOM 0 HA HIS A 48 -6.537 -3.022 -9.456 1.00 0.76 H new ATOM 0 HB2 HIS A 48 -3.987 -2.579 -11.013 1.00 0.93 H new ATOM 0 HB3 HIS A 48 -4.300 -4.163 -10.333 1.00 0.93 H new ATOM 0 HD2 HIS A 48 -4.825 -5.521 -12.511 1.00 2.43 H new ATOM 0 HE1 HIS A 48 -7.945 -3.112 -14.117 1.00 2.51 H new ATOM 0 HE2 HIS A 48 -6.641 -5.314 -14.433 1.00 2.63 H new ATOM 713 N CYS A 49 -4.588 -1.897 -7.347 1.00 0.49 N ATOM 714 CA CYS A 49 -3.858 -1.987 -6.079 1.00 0.42 C ATOM 715 C CYS A 49 -4.727 -1.648 -4.851 1.00 0.42 C ATOM 716 O CYS A 49 -4.196 -1.287 -3.799 1.00 0.41 O ATOM 717 CB CYS A 49 -2.582 -1.142 -6.184 1.00 0.40 C ATOM 718 SG CYS A 49 -1.382 -1.800 -7.371 1.00 0.36 S ATOM 0 H CYS A 49 -4.869 -0.942 -7.569 1.00 0.49 H new ATOM 0 HA CYS A 49 -3.572 -3.025 -5.908 1.00 0.42 H new ATOM 0 HB2 CYS A 49 -2.850 -0.126 -6.474 1.00 0.40 H new ATOM 0 HB3 CYS A 49 -2.114 -1.080 -5.202 1.00 0.40 H new ATOM 723 N GLY A 50 -6.055 -1.800 -4.943 1.00 0.46 N ATOM 724 CA GLY A 50 -6.997 -1.512 -3.851 1.00 0.46 C ATOM 725 C GLY A 50 -6.671 -2.225 -2.534 1.00 0.40 C ATOM 726 O GLY A 50 -6.809 -1.639 -1.460 1.00 0.40 O ATOM 0 H GLY A 50 -6.513 -2.132 -5.792 1.00 0.46 H new ATOM 0 HA2 GLY A 50 -7.013 -0.437 -3.674 1.00 0.46 H new ATOM 0 HA3 GLY A 50 -8.000 -1.798 -4.167 1.00 0.46 H new ATOM 730 N HIS A 51 -6.128 -3.439 -2.613 1.00 0.50 N ATOM 731 CA HIS A 51 -5.691 -4.232 -1.458 1.00 0.62 C ATOM 732 C HIS A 51 -4.474 -3.618 -0.733 1.00 0.54 C ATOM 733 O HIS A 51 -4.361 -3.722 0.492 1.00 0.53 O ATOM 734 CB HIS A 51 -5.408 -5.665 -1.952 1.00 1.02 C ATOM 735 CG HIS A 51 -6.490 -6.217 -2.855 1.00 1.90 C ATOM 736 ND1 HIS A 51 -7.838 -6.267 -2.576 1.00 2.38 N ATOM 737 CD2 HIS A 51 -6.338 -6.639 -4.149 1.00 3.46 C ATOM 738 CE1 HIS A 51 -8.481 -6.703 -3.671 1.00 3.58 C ATOM 739 NE2 HIS A 51 -7.607 -6.936 -4.668 1.00 4.27 N ATOM 0 H HIS A 51 -5.975 -3.913 -3.503 1.00 0.50 H new ATOM 0 HA HIS A 51 -6.483 -4.242 -0.709 1.00 0.62 H new ATOM 0 HB2 HIS A 51 -4.459 -5.675 -2.487 1.00 1.02 H new ATOM 0 HB3 HIS A 51 -5.295 -6.322 -1.090 1.00 1.02 H new ATOM 0 HD2 HIS A 51 -5.401 -6.728 -4.679 1.00 3.46 H new ATOM 0 HE1 HIS A 51 -9.549 -6.847 -3.742 1.00 3.58 H new ATOM 0 HE2 HIS A 51 -7.824 -7.262 -5.610 1.00 4.27 H new ATOM 747 N LEU A 52 -3.588 -2.928 -1.463 1.00 0.65 N ATOM 748 CA LEU A 52 -2.438 -2.203 -0.906 1.00 0.76 C ATOM 749 C LEU A 52 -2.840 -0.837 -0.337 1.00 0.72 C ATOM 750 O LEU A 52 -2.289 -0.424 0.680 1.00 0.86 O ATOM 751 CB LEU A 52 -1.344 -2.030 -1.979 1.00 0.93 C ATOM 752 CG LEU A 52 -0.321 -3.171 -2.120 1.00 0.63 C ATOM 753 CD1 LEU A 52 0.515 -3.344 -0.850 1.00 1.00 C ATOM 754 CD2 LEU A 52 -0.957 -4.510 -2.490 1.00 1.41 C ATOM 0 H LEU A 52 -3.652 -2.857 -2.478 1.00 0.65 H new ATOM 0 HA LEU A 52 -2.045 -2.799 -0.082 1.00 0.76 H new ATOM 0 HB2 LEU A 52 -1.833 -1.892 -2.943 1.00 0.93 H new ATOM 0 HB3 LEU A 52 -0.799 -1.111 -1.763 1.00 0.93 H new ATOM 0 HG LEU A 52 0.327 -2.870 -2.943 1.00 0.63 H new ATOM 0 HD11 LEU A 52 1.225 -4.159 -0.990 1.00 1.00 H new ATOM 0 HD12 LEU A 52 1.058 -2.422 -0.643 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -0.141 -3.575 -0.011 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.181 -5.271 -2.574 1.00 1.41 H new ATOM 0 HD22 LEU A 52 -1.668 -4.801 -1.717 1.00 1.41 H new ATOM 0 HD23 LEU A 52 -1.476 -4.415 -3.444 1.00 1.41 H new ATOM 766 N ILE A 53 -3.821 -0.166 -0.947 1.00 0.63 N ATOM 767 CA ILE A 53 -4.460 1.037 -0.385 1.00 0.71 C ATOM 768 C ILE A 53 -5.125 0.692 0.958 1.00 0.56 C ATOM 769 O ILE A 53 -4.924 1.381 1.958 1.00 0.64 O ATOM 770 CB ILE A 53 -5.452 1.623 -1.412 1.00 0.83 C ATOM 771 CG1 ILE A 53 -4.664 2.224 -2.598 1.00 1.04 C ATOM 772 CG2 ILE A 53 -6.369 2.693 -0.792 1.00 1.07 C ATOM 773 CD1 ILE A 53 -5.486 2.296 -3.882 1.00 1.18 C ATOM 0 H ILE A 53 -4.200 -0.441 -1.853 1.00 0.63 H new ATOM 0 HA ILE A 53 -3.714 1.806 -0.183 1.00 0.71 H new ATOM 0 HB ILE A 53 -6.093 0.812 -1.758 1.00 0.83 H new ATOM 0 HG12 ILE A 53 -4.326 3.226 -2.333 1.00 1.04 H new ATOM 0 HG13 ILE A 53 -3.772 1.623 -2.777 1.00 1.04 H new ATOM 0 HG21 ILE A 53 -7.049 3.075 -1.554 1.00 1.07 H new ATOM 0 HG22 ILE A 53 -6.946 2.251 0.021 1.00 1.07 H new ATOM 0 HG23 ILE A 53 -5.763 3.511 -0.404 1.00 1.07 H new ATOM 0 HD11 ILE A 53 -4.879 2.726 -4.679 1.00 1.18 H new ATOM 0 HD12 ILE A 53 -5.802 1.293 -4.168 1.00 1.18 H new ATOM 0 HD13 ILE A 53 -6.364 2.920 -3.717 1.00 1.18 H new ATOM 785 N GLU A 54 -5.827 -0.445 1.014 1.00 0.40 N ATOM 786 CA GLU A 54 -6.413 -0.967 2.255 1.00 0.44 C ATOM 787 C GLU A 54 -5.332 -1.242 3.315 1.00 0.44 C ATOM 788 O GLU A 54 -5.436 -0.793 4.455 1.00 0.49 O ATOM 789 CB GLU A 54 -7.237 -2.229 1.967 1.00 0.63 C ATOM 790 CG GLU A 54 -7.964 -2.731 3.224 1.00 0.93 C ATOM 791 CD GLU A 54 -8.712 -4.026 2.923 1.00 1.37 C ATOM 792 OE1 GLU A 54 -9.684 -3.987 2.128 1.00 1.45 O ATOM 793 OE2 GLU A 54 -8.318 -5.100 3.438 1.00 2.67 O ATOM 0 H GLU A 54 -6.006 -1.031 0.199 1.00 0.40 H new ATOM 0 HA GLU A 54 -7.079 -0.205 2.661 1.00 0.44 H new ATOM 0 HB2 GLU A 54 -7.966 -2.017 1.185 1.00 0.63 H new ATOM 0 HB3 GLU A 54 -6.582 -3.013 1.588 1.00 0.63 H new ATOM 0 HG2 GLU A 54 -7.245 -2.897 4.026 1.00 0.93 H new ATOM 0 HG3 GLU A 54 -8.664 -1.972 3.575 1.00 0.93 H new ATOM 800 N ALA A 55 -4.263 -1.933 2.923 1.00 0.50 N ATOM 801 CA ALA A 55 -3.145 -2.265 3.807 1.00 0.69 C ATOM 802 C ALA A 55 -2.406 -1.015 4.325 1.00 0.73 C ATOM 803 O ALA A 55 -1.981 -0.984 5.482 1.00 0.83 O ATOM 804 CB ALA A 55 -2.197 -3.214 3.067 1.00 0.86 C ATOM 0 H ALA A 55 -4.147 -2.282 1.972 1.00 0.50 H new ATOM 0 HA ALA A 55 -3.540 -2.759 4.695 1.00 0.69 H new ATOM 0 HB1 ALA A 55 -1.359 -3.469 3.715 1.00 0.86 H new ATOM 0 HB2 ALA A 55 -2.733 -4.122 2.792 1.00 0.86 H new ATOM 0 HB3 ALA A 55 -1.824 -2.726 2.166 1.00 0.86 H new ATOM 810 N HIS A 56 -2.281 0.039 3.514 1.00 0.80 N ATOM 811 CA HIS A 56 -1.741 1.333 3.940 1.00 0.98 C ATOM 812 C HIS A 56 -2.662 2.016 4.963 1.00 0.82 C ATOM 813 O HIS A 56 -2.175 2.407 6.028 1.00 0.83 O ATOM 814 CB HIS A 56 -1.474 2.208 2.710 1.00 1.27 C ATOM 815 CG HIS A 56 -1.254 3.675 2.998 1.00 1.88 C ATOM 816 ND1 HIS A 56 -1.753 4.703 2.240 1.00 2.06 N ATOM 817 CD2 HIS A 56 -0.584 4.247 4.048 1.00 2.97 C ATOM 818 CE1 HIS A 56 -1.409 5.865 2.811 1.00 3.00 C ATOM 819 NE2 HIS A 56 -0.706 5.640 3.936 1.00 3.66 N ATOM 0 H HIS A 56 -2.555 0.018 2.532 1.00 0.80 H new ATOM 0 HA HIS A 56 -0.791 1.175 4.451 1.00 0.98 H new ATOM 0 HB2 HIS A 56 -0.597 1.821 2.192 1.00 1.27 H new ATOM 0 HB3 HIS A 56 -2.317 2.111 2.026 1.00 1.27 H new ATOM 0 HD2 HIS A 56 -0.054 3.717 4.826 1.00 2.97 H new ATOM 0 HE1 HIS A 56 -1.660 6.842 2.424 1.00 3.00 H new ATOM 0 HE2 HIS A 56 -0.336 6.341 4.578 1.00 3.66 H new ATOM 827 N LYS A 57 -3.980 2.090 4.724 1.00 0.76 N ATOM 828 CA LYS A 57 -4.888 2.694 5.714 1.00 0.87 C ATOM 829 C LYS A 57 -4.956 1.904 7.018 1.00 0.71 C ATOM 830 O LYS A 57 -5.004 2.509 8.081 1.00 0.84 O ATOM 831 CB LYS A 57 -6.268 3.007 5.127 1.00 1.14 C ATOM 832 CG LYS A 57 -7.207 1.821 4.848 1.00 1.06 C ATOM 833 CD LYS A 57 -8.648 2.351 4.756 1.00 1.73 C ATOM 834 CE LYS A 57 -9.701 1.281 4.442 1.00 3.13 C ATOM 835 NZ LYS A 57 -11.063 1.871 4.473 1.00 3.59 N ATOM 0 H LYS A 57 -4.434 1.749 3.876 1.00 0.76 H new ATOM 0 HA LYS A 57 -4.451 3.656 5.981 1.00 0.87 H new ATOM 0 HB2 LYS A 57 -6.778 3.686 5.810 1.00 1.14 H new ATOM 0 HB3 LYS A 57 -6.121 3.547 4.192 1.00 1.14 H new ATOM 0 HG2 LYS A 57 -6.926 1.325 3.919 1.00 1.06 H new ATOM 0 HG3 LYS A 57 -7.126 1.079 5.642 1.00 1.06 H new ATOM 0 HD2 LYS A 57 -8.906 2.831 5.700 1.00 1.73 H new ATOM 0 HD3 LYS A 57 -8.690 3.121 3.986 1.00 1.73 H new ATOM 0 HE2 LYS A 57 -9.507 0.848 3.461 1.00 3.13 H new ATOM 0 HE3 LYS A 57 -9.632 0.470 5.167 1.00 3.13 H new ATOM 0 HZ1 LYS A 57 -11.765 1.135 4.259 1.00 3.59 H new ATOM 0 HZ2 LYS A 57 -11.250 2.263 5.418 1.00 3.59 H new ATOM 0 HZ3 LYS A 57 -11.129 2.629 3.764 1.00 3.59 H new ATOM 849 N GLU A 58 -4.858 0.577 6.968 1.00 0.61 N ATOM 850 CA GLU A 58 -4.692 -0.286 8.156 1.00 0.87 C ATOM 851 C GLU A 58 -3.355 -0.025 8.882 1.00 0.81 C ATOM 852 O GLU A 58 -3.311 0.025 10.118 1.00 0.95 O ATOM 853 CB GLU A 58 -4.794 -1.766 7.740 1.00 1.34 C ATOM 854 CG GLU A 58 -6.229 -2.176 7.371 1.00 1.68 C ATOM 855 CD GLU A 58 -6.346 -3.633 6.879 1.00 2.28 C ATOM 856 OE1 GLU A 58 -5.401 -4.189 6.268 1.00 3.58 O ATOM 857 OE2 GLU A 58 -7.396 -4.277 7.140 1.00 2.35 O ATOM 0 H GLU A 58 -4.891 0.055 6.092 1.00 0.61 H new ATOM 0 HA GLU A 58 -5.491 -0.045 8.857 1.00 0.87 H new ATOM 0 HB2 GLU A 58 -4.138 -1.947 6.889 1.00 1.34 H new ATOM 0 HB3 GLU A 58 -4.438 -2.395 8.556 1.00 1.34 H new ATOM 0 HG2 GLU A 58 -6.872 -2.042 8.241 1.00 1.68 H new ATOM 0 HG3 GLU A 58 -6.601 -1.508 6.594 1.00 1.68 H new ATOM 864 N SER A 59 -2.268 0.191 8.131 1.00 0.86 N ATOM 865 CA SER A 59 -0.939 0.536 8.674 1.00 1.12 C ATOM 866 C SER A 59 -0.946 1.880 9.409 1.00 1.02 C ATOM 867 O SER A 59 -0.317 1.996 10.454 1.00 1.23 O ATOM 868 CB SER A 59 0.130 0.575 7.574 1.00 1.45 C ATOM 869 OG SER A 59 0.206 -0.655 6.863 1.00 1.87 O ATOM 0 H SER A 59 -2.282 0.131 7.113 1.00 0.86 H new ATOM 0 HA SER A 59 -0.694 -0.252 9.386 1.00 1.12 H new ATOM 0 HB2 SER A 59 -0.095 1.383 6.878 1.00 1.45 H new ATOM 0 HB3 SER A 59 1.100 0.798 8.018 1.00 1.45 H new ATOM 0 HG SER A 59 -0.686 -0.902 6.541 1.00 1.87 H new ATOM 875 N MET A 60 -1.690 2.882 8.924 1.00 0.92 N ATOM 876 CA MET A 60 -1.837 4.169 9.632 1.00 1.10 C ATOM 877 C MET A 60 -2.964 4.191 10.675 1.00 1.02 C ATOM 878 O MET A 60 -2.852 4.900 11.679 1.00 1.19 O ATOM 879 CB MET A 60 -1.971 5.333 8.642 1.00 1.46 C ATOM 880 CG MET A 60 -0.785 5.494 7.681 1.00 1.63 C ATOM 881 SD MET A 60 0.862 5.050 8.317 1.00 1.73 S ATOM 882 CE MET A 60 1.896 5.570 6.927 1.00 2.39 C ATOM 0 H MET A 60 -2.202 2.830 8.043 1.00 0.92 H new ATOM 0 HA MET A 60 -0.916 4.295 10.201 1.00 1.10 H new ATOM 0 HB2 MET A 60 -2.880 5.192 8.057 1.00 1.46 H new ATOM 0 HB3 MET A 60 -2.094 6.259 9.204 1.00 1.46 H new ATOM 0 HG2 MET A 60 -0.981 4.888 6.797 1.00 1.63 H new ATOM 0 HG3 MET A 60 -0.753 6.533 7.354 1.00 1.63 H new ATOM 0 HE1 MET A 60 2.942 5.366 7.156 1.00 2.39 H new ATOM 0 HE2 MET A 60 1.606 5.019 6.032 1.00 2.39 H new ATOM 0 HE3 MET A 60 1.764 6.638 6.755 1.00 2.39 H new ATOM 892 N ARG A 61 -4.021 3.380 10.515 1.00 0.89 N ATOM 893 CA ARG A 61 -5.064 3.178 11.539 1.00 1.02 C ATOM 894 C ARG A 61 -4.458 2.621 12.823 1.00 0.94 C ATOM 895 O ARG A 61 -4.799 3.090 13.913 1.00 1.10 O ATOM 896 CB ARG A 61 -6.174 2.274 10.973 1.00 1.10 C ATOM 897 CG ARG A 61 -7.278 1.880 11.976 1.00 1.54 C ATOM 898 CD ARG A 61 -6.997 0.599 12.778 1.00 2.28 C ATOM 899 NE ARG A 61 -6.915 -0.582 11.901 1.00 3.17 N ATOM 900 CZ ARG A 61 -5.955 -1.525 11.916 1.00 4.71 C ATOM 901 NH1 ARG A 61 -4.931 -1.485 12.782 1.00 5.53 N ATOM 902 NH2 ARG A 61 -6.027 -2.535 11.040 1.00 5.85 N ATOM 0 H ARG A 61 -4.179 2.840 9.664 1.00 0.89 H new ATOM 0 HA ARG A 61 -5.514 4.136 11.797 1.00 1.02 H new ATOM 0 HB2 ARG A 61 -6.638 2.782 10.128 1.00 1.10 H new ATOM 0 HB3 ARG A 61 -5.716 1.364 10.585 1.00 1.10 H new ATOM 0 HG2 ARG A 61 -7.425 2.704 12.675 1.00 1.54 H new ATOM 0 HG3 ARG A 61 -8.214 1.753 11.432 1.00 1.54 H new ATOM 0 HD2 ARG A 61 -6.062 0.711 13.328 1.00 2.28 H new ATOM 0 HD3 ARG A 61 -7.785 0.451 13.516 1.00 2.28 H new ATOM 0 HE ARG A 61 -7.660 -0.696 11.214 1.00 3.17 H new ATOM 0 HH11 ARG A 61 -4.863 -0.723 13.457 1.00 5.53 H new ATOM 0 HH12 ARG A 61 -4.220 -2.217 12.766 1.00 5.53 H new ATOM 0 HH21 ARG A 61 -6.800 -2.580 10.376 1.00 5.85 H new ATOM 0 HH22 ARG A 61 -5.309 -3.259 11.036 1.00 5.85 H new ATOM 916 N ALA A 62 -3.505 1.696 12.691 1.00 0.77 N ATOM 917 CA ALA A 62 -2.703 1.189 13.809 1.00 0.79 C ATOM 918 C ALA A 62 -2.002 2.280 14.654 1.00 0.95 C ATOM 919 O ALA A 62 -1.829 2.086 15.858 1.00 1.12 O ATOM 920 CB ALA A 62 -1.672 0.211 13.243 1.00 1.05 C ATOM 0 H ALA A 62 -3.265 1.272 11.795 1.00 0.77 H new ATOM 0 HA ALA A 62 -3.389 0.703 14.503 1.00 0.79 H new ATOM 0 HB1 ALA A 62 -1.060 -0.183 14.055 1.00 1.05 H new ATOM 0 HB2 ALA A 62 -2.186 -0.611 12.744 1.00 1.05 H new ATOM 0 HB3 ALA A 62 -1.035 0.729 12.526 1.00 1.05 H new ATOM 926 N LEU A 63 -1.644 3.436 14.076 1.00 1.10 N ATOM 927 CA LEU A 63 -0.923 4.512 14.783 1.00 1.34 C ATOM 928 C LEU A 63 -1.852 5.532 15.465 1.00 1.59 C ATOM 929 O LEU A 63 -1.387 6.384 16.225 1.00 1.80 O ATOM 930 CB LEU A 63 0.042 5.210 13.802 1.00 1.50 C ATOM 931 CG LEU A 63 1.437 4.574 13.638 1.00 1.59 C ATOM 932 CD1 LEU A 63 2.322 4.817 14.860 1.00 2.10 C ATOM 933 CD2 LEU A 63 1.382 3.072 13.378 1.00 1.55 C ATOM 0 H LEU A 63 -1.846 3.655 13.100 1.00 1.10 H new ATOM 0 HA LEU A 63 -0.360 4.047 15.593 1.00 1.34 H new ATOM 0 HB2 LEU A 63 -0.434 5.245 12.822 1.00 1.50 H new ATOM 0 HB3 LEU A 63 0.174 6.241 14.129 1.00 1.50 H new ATOM 0 HG LEU A 63 1.867 5.065 12.765 1.00 1.59 H new ATOM 0 HD11 LEU A 63 3.295 4.352 14.703 1.00 2.10 H new ATOM 0 HD12 LEU A 63 2.451 5.889 15.008 1.00 2.10 H new ATOM 0 HD13 LEU A 63 1.851 4.383 15.742 1.00 2.10 H new ATOM 0 HD21 LEU A 63 2.395 2.684 13.272 1.00 1.55 H new ATOM 0 HD22 LEU A 63 0.889 2.576 14.214 1.00 1.55 H new ATOM 0 HD23 LEU A 63 0.823 2.882 12.462 1.00 1.55 H new ATOM 945 N GLY A 64 -3.158 5.482 15.192 1.00 1.63 N ATOM 946 CA GLY A 64 -4.122 6.466 15.698 1.00 1.85 C ATOM 947 C GLY A 64 -4.111 7.810 14.954 1.00 2.00 C ATOM 948 O GLY A 64 -4.702 8.769 15.448 1.00 2.22 O ATOM 0 H GLY A 64 -3.579 4.756 14.612 1.00 1.63 H new ATOM 0 HA2 GLY A 64 -5.123 6.040 15.637 1.00 1.85 H new ATOM 0 HA3 GLY A 64 -3.917 6.648 16.753 1.00 1.85 H new ATOM 952 N PHE A 65 -3.447 7.915 13.791 1.00 1.97 N ATOM 953 CA PHE A 65 -3.378 9.160 13.002 1.00 2.16 C ATOM 954 C PHE A 65 -4.136 9.143 11.664 1.00 2.27 C ATOM 955 O PHE A 65 -3.922 10.021 10.821 1.00 2.57 O ATOM 956 CB PHE A 65 -1.941 9.709 12.937 1.00 2.21 C ATOM 957 CG PHE A 65 -0.824 8.906 12.279 1.00 2.10 C ATOM 958 CD1 PHE A 65 -0.871 8.523 10.919 1.00 2.70 C ATOM 959 CD2 PHE A 65 0.362 8.678 13.009 1.00 2.30 C ATOM 960 CE1 PHE A 65 0.248 7.923 10.315 1.00 2.79 C ATOM 961 CE2 PHE A 65 1.475 8.065 12.404 1.00 2.30 C ATOM 962 CZ PHE A 65 1.416 7.682 11.056 1.00 2.21 C ATOM 0 H PHE A 65 -2.941 7.137 13.369 1.00 1.97 H new ATOM 0 HA PHE A 65 -3.959 9.895 13.559 1.00 2.16 H new ATOM 0 HB2 PHE A 65 -1.989 10.670 12.424 1.00 2.21 H new ATOM 0 HB3 PHE A 65 -1.629 9.910 13.962 1.00 2.21 H new ATOM 0 HD1 PHE A 65 -1.769 8.692 10.343 1.00 2.70 H new ATOM 0 HD2 PHE A 65 0.416 8.978 14.045 1.00 2.30 H new ATOM 0 HE1 PHE A 65 0.209 7.645 9.272 1.00 2.79 H new ATOM 0 HE2 PHE A 65 2.374 7.890 12.977 1.00 2.30 H new ATOM 0 HZ PHE A 65 2.265 7.204 10.590 1.00 2.21 H new ATOM 972 N LYS A 66 -5.055 8.188 11.477 1.00 2.15 N ATOM 973 CA LYS A 66 -5.856 8.021 10.249 1.00 2.31 C ATOM 974 C LYS A 66 -7.365 8.176 10.496 1.00 2.57 C ATOM 975 O LYS A 66 -7.996 9.018 9.852 1.00 2.87 O ATOM 976 CB LYS A 66 -5.446 6.677 9.611 1.00 2.18 C ATOM 977 CG LYS A 66 -6.179 6.271 8.316 1.00 2.44 C ATOM 978 CD LYS A 66 -5.956 7.224 7.127 1.00 2.72 C ATOM 979 CE LYS A 66 -7.210 8.030 6.771 1.00 3.33 C ATOM 980 NZ LYS A 66 -6.921 9.043 5.730 1.00 3.48 N ATOM 0 H LYS A 66 -5.271 7.491 12.190 1.00 2.15 H new ATOM 0 HA LYS A 66 -5.644 8.823 9.542 1.00 2.31 H new ATOM 0 HB2 LYS A 66 -4.377 6.713 9.400 1.00 2.18 H new ATOM 0 HB3 LYS A 66 -5.599 5.890 10.349 1.00 2.18 H new ATOM 0 HG2 LYS A 66 -5.854 5.271 8.029 1.00 2.44 H new ATOM 0 HG3 LYS A 66 -7.248 6.212 8.522 1.00 2.44 H new ATOM 0 HD2 LYS A 66 -5.143 7.910 7.364 1.00 2.72 H new ATOM 0 HD3 LYS A 66 -5.642 6.646 6.258 1.00 2.72 H new ATOM 0 HE2 LYS A 66 -7.990 7.356 6.418 1.00 3.33 H new ATOM 0 HE3 LYS A 66 -7.594 8.523 7.664 1.00 3.33 H new ATOM 0 HZ1 LYS A 66 -7.789 9.572 5.510 1.00 3.48 H new ATOM 0 HZ2 LYS A 66 -6.193 9.700 6.077 1.00 3.48 H new ATOM 0 HZ3 LYS A 66 -6.578 8.569 4.870 1.00 3.48 H new ATOM 994 N ILE A 67 -7.922 7.393 11.424 1.00 2.69 N ATOM 995 CA ILE A 67 -9.365 7.244 11.739 1.00 3.06 C ATOM 996 C ILE A 67 -9.617 6.927 13.212 1.00 3.25 C ATOM 997 O ILE A 67 -10.634 7.410 13.758 1.00 3.65 O ATOM 998 CB ILE A 67 -10.033 6.181 10.828 1.00 3.03 C ATOM 999 CG1 ILE A 67 -9.199 4.880 10.718 1.00 2.77 C ATOM 1000 CG2 ILE A 67 -10.328 6.808 9.454 1.00 3.20 C ATOM 1001 CD1 ILE A 67 -9.814 3.795 9.828 1.00 2.66 C ATOM 1002 OXT ILE A 67 -8.782 6.257 13.858 1.00 3.79 O ATOM 0 H ILE A 67 -7.346 6.801 12.022 1.00 2.69 H new ATOM 0 HA ILE A 67 -9.825 8.212 11.538 1.00 3.06 H new ATOM 0 HB ILE A 67 -10.974 5.875 11.284 1.00 3.03 H new ATOM 0 HG12 ILE A 67 -8.211 5.130 10.331 1.00 2.77 H new ATOM 0 HG13 ILE A 67 -9.056 4.471 11.718 1.00 2.77 H new ATOM 0 HG21 ILE A 67 -10.798 6.066 8.809 1.00 3.20 H new ATOM 0 HG22 ILE A 67 -10.999 7.658 9.578 1.00 3.20 H new ATOM 0 HG23 ILE A 67 -9.396 7.145 9.000 1.00 3.20 H new ATOM 0 HD11 ILE A 67 -9.160 2.923 9.812 1.00 2.66 H new ATOM 0 HD12 ILE A 67 -10.789 3.510 10.223 1.00 2.66 H new ATOM 0 HD13 ILE A 67 -9.931 4.179 8.815 1.00 2.66 H new TER 1014 ILE A 67