USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=11 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 -67:sc= 1.17 USER MOD Set 1.2: A 56 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 1.3: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 SER OG : rot -93:sc= 0.695 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -152:sc= 0.473 (180deg=0.287) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0146 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 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 19 GLN : amide:sc= 0.524 K(o=0.52,f=-0.046) USER MOD Single : A 21 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 180:sc= 0 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+ 151:sc= 1.29 (180deg=1.17) 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= -0.0175 X(o=-0.017,f=-0.041) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot -170:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.663 -21.864 -3.943 1.00 67.51 N ATOM 2 CA GLY A 1 -35.823 -23.161 -3.264 1.00 67.67 C ATOM 3 C GLY A 1 -35.367 -23.068 -1.823 1.00 67.04 C ATOM 4 O GLY A 1 -35.865 -22.222 -1.077 1.00 67.15 O ATOM 0 H1 GLY A 1 -35.981 -21.947 -4.930 1.00 67.51 H new ATOM 0 H2 GLY A 1 -36.233 -21.144 -3.455 1.00 67.51 H new ATOM 0 H3 GLY A 1 -34.662 -21.584 -3.924 1.00 67.51 H new ATOM 0 HA2 GLY A 1 -36.867 -23.471 -3.301 1.00 67.67 H new ATOM 0 HA3 GLY A 1 -35.245 -23.924 -3.785 1.00 67.67 H new ATOM 10 N SER A 2 -34.420 -23.921 -1.428 1.00 66.45 N ATOM 11 CA SER A 2 -33.787 -23.913 -0.097 1.00 65.83 C ATOM 12 C SER A 2 -32.961 -22.649 0.170 1.00 64.56 C ATOM 13 O SER A 2 -32.267 -22.132 -0.713 1.00 63.87 O ATOM 14 CB SER A 2 -32.927 -25.168 0.116 1.00 65.63 C ATOM 15 OG SER A 2 -32.162 -25.504 -1.037 1.00 65.43 O ATOM 0 H SER A 2 -34.059 -24.657 -2.036 1.00 66.45 H new ATOM 0 HA SER A 2 -34.604 -23.915 0.624 1.00 65.83 H new ATOM 0 HB2 SER A 2 -32.256 -25.006 0.960 1.00 65.63 H new ATOM 0 HB3 SER A 2 -33.572 -26.007 0.378 1.00 65.63 H new ATOM 0 HG SER A 2 -31.630 -26.307 -0.854 1.00 65.43 H new ATOM 21 N PHE A 3 -33.042 -22.134 1.397 1.00 64.31 N ATOM 22 CA PHE A 3 -32.396 -20.897 1.848 1.00 63.28 C ATOM 23 C PHE A 3 -32.261 -20.864 3.377 1.00 62.69 C ATOM 24 O PHE A 3 -33.178 -21.282 4.090 1.00 63.30 O ATOM 25 CB PHE A 3 -33.232 -19.696 1.371 1.00 63.62 C ATOM 26 CG PHE A 3 -32.651 -18.328 1.686 1.00 63.12 C ATOM 27 CD1 PHE A 3 -31.772 -17.710 0.777 1.00 62.42 C ATOM 28 CD2 PHE A 3 -33.019 -17.652 2.867 1.00 63.48 C ATOM 29 CE1 PHE A 3 -31.271 -16.421 1.041 1.00 62.08 C ATOM 30 CE2 PHE A 3 -32.518 -16.364 3.130 1.00 63.14 C ATOM 31 CZ PHE A 3 -31.645 -15.748 2.215 1.00 62.45 C ATOM 0 H PHE A 3 -33.582 -22.585 2.136 1.00 64.31 H new ATOM 0 HA PHE A 3 -31.393 -20.850 1.424 1.00 63.28 H new ATOM 0 HB2 PHE A 3 -33.366 -19.775 0.292 1.00 63.62 H new ATOM 0 HB3 PHE A 3 -34.222 -19.763 1.821 1.00 63.62 H new ATOM 0 HD1 PHE A 3 -31.481 -18.226 -0.126 1.00 62.42 H new ATOM 0 HD2 PHE A 3 -33.687 -18.124 3.572 1.00 63.48 H new ATOM 0 HE1 PHE A 3 -30.598 -15.950 0.340 1.00 62.08 H new ATOM 0 HE2 PHE A 3 -32.804 -15.848 4.035 1.00 63.14 H new ATOM 0 HZ PHE A 3 -31.263 -14.758 2.415 1.00 62.45 H new ATOM 41 N THR A 4 -31.162 -20.299 3.876 1.00 61.58 N ATOM 42 CA THR A 4 -30.956 -19.926 5.289 1.00 60.91 C ATOM 43 C THR A 4 -30.481 -18.469 5.372 1.00 60.25 C ATOM 44 O THR A 4 -29.934 -17.937 4.402 1.00 59.90 O ATOM 45 CB THR A 4 -29.979 -20.878 6.008 1.00 60.35 C ATOM 46 OG1 THR A 4 -28.658 -20.699 5.552 1.00 59.47 O ATOM 47 CG2 THR A 4 -30.307 -22.360 5.811 1.00 61.10 C ATOM 0 H THR A 4 -30.356 -20.077 3.291 1.00 61.58 H new ATOM 0 HA THR A 4 -31.910 -20.020 5.808 1.00 60.91 H new ATOM 0 HB THR A 4 -30.082 -20.621 7.062 1.00 60.35 H new ATOM 0 HG1 THR A 4 -28.062 -21.315 6.027 1.00 59.47 H new ATOM 0 HG21 THR A 4 -29.577 -22.968 6.345 1.00 61.10 H new ATOM 0 HG22 THR A 4 -31.305 -22.566 6.198 1.00 61.10 H new ATOM 0 HG23 THR A 4 -30.273 -22.602 4.749 1.00 61.10 H new ATOM 55 N MET A 5 -30.678 -17.783 6.504 1.00 60.14 N ATOM 56 CA MET A 5 -30.321 -16.356 6.611 1.00 59.58 C ATOM 57 C MET A 5 -28.804 -16.108 6.424 1.00 58.24 C ATOM 58 O MET A 5 -27.998 -16.918 6.890 1.00 57.67 O ATOM 59 CB MET A 5 -30.792 -15.775 7.955 1.00 59.86 C ATOM 60 CG MET A 5 -32.317 -15.737 8.096 1.00 60.93 C ATOM 61 SD MET A 5 -33.187 -14.698 6.886 1.00 61.16 S ATOM 62 CE MET A 5 -34.860 -14.822 7.574 1.00 62.58 C ATOM 0 H MET A 5 -31.078 -18.184 7.352 1.00 60.14 H new ATOM 0 HA MET A 5 -30.836 -15.843 5.799 1.00 59.58 H new ATOM 0 HB2 MET A 5 -30.373 -16.370 8.767 1.00 59.86 H new ATOM 0 HB3 MET A 5 -30.398 -14.764 8.064 1.00 59.86 H new ATOM 0 HG2 MET A 5 -32.698 -16.755 8.015 1.00 60.93 H new ATOM 0 HG3 MET A 5 -32.563 -15.383 9.097 1.00 60.93 H new ATOM 0 HE1 MET A 5 -35.550 -14.242 6.961 1.00 62.58 H new ATOM 0 HE2 MET A 5 -35.173 -15.866 7.583 1.00 62.58 H new ATOM 0 HE3 MET A 5 -34.864 -14.433 8.592 1.00 62.58 H new ATOM 72 N PRO A 6 -28.365 -15.004 5.785 1.00 57.78 N ATOM 73 CA PRO A 6 -26.942 -14.658 5.702 1.00 56.54 C ATOM 74 C PRO A 6 -26.387 -14.180 7.054 1.00 55.81 C ATOM 75 O PRO A 6 -27.065 -13.449 7.786 1.00 56.13 O ATOM 76 CB PRO A 6 -26.823 -13.572 4.623 1.00 56.45 C ATOM 77 CG PRO A 6 -28.151 -13.636 3.868 1.00 57.82 C ATOM 78 CD PRO A 6 -29.136 -14.109 4.933 1.00 58.48 C ATOM 0 HA PRO A 6 -26.347 -15.533 5.441 1.00 56.54 H new ATOM 0 HB2 PRO A 6 -26.665 -12.588 5.065 1.00 56.45 H new ATOM 0 HB3 PRO A 6 -25.979 -13.762 3.959 1.00 56.45 H new ATOM 0 HG2 PRO A 6 -28.432 -12.663 3.464 1.00 57.82 H new ATOM 0 HG3 PRO A 6 -28.103 -14.329 3.028 1.00 57.82 H new ATOM 0 HD2 PRO A 6 -29.536 -13.270 5.502 1.00 58.48 H new ATOM 0 HD3 PRO A 6 -29.985 -14.624 4.485 1.00 58.48 H new ATOM 86 N GLY A 7 -25.146 -14.551 7.381 1.00 54.90 N ATOM 87 CA GLY A 7 -24.437 -14.062 8.575 1.00 54.18 C ATOM 88 C GLY A 7 -25.030 -14.529 9.907 1.00 54.80 C ATOM 89 O GLY A 7 -24.997 -13.796 10.899 1.00 54.59 O ATOM 0 H GLY A 7 -24.597 -15.205 6.822 1.00 54.90 H new ATOM 0 HA2 GLY A 7 -23.398 -14.386 8.522 1.00 54.18 H new ATOM 0 HA3 GLY A 7 -24.432 -12.972 8.557 1.00 54.18 H new ATOM 93 N LEU A 8 -25.619 -15.727 9.906 1.00 55.68 N ATOM 94 CA LEU A 8 -26.448 -16.340 10.955 1.00 56.59 C ATOM 95 C LEU A 8 -25.693 -16.798 12.226 1.00 56.34 C ATOM 96 O LEU A 8 -25.888 -17.904 12.739 1.00 57.18 O ATOM 97 CB LEU A 8 -27.398 -17.378 10.317 1.00 57.69 C ATOM 98 CG LEU A 8 -26.789 -18.714 9.848 1.00 57.52 C ATOM 99 CD1 LEU A 8 -27.883 -19.580 9.217 1.00 58.28 C ATOM 100 CD2 LEU A 8 -25.638 -18.581 8.849 1.00 56.55 C ATOM 0 H LEU A 8 -25.522 -16.349 9.104 1.00 55.68 H new ATOM 0 HA LEU A 8 -27.069 -15.556 11.389 1.00 56.59 H new ATOM 0 HB2 LEU A 8 -28.183 -17.603 11.039 1.00 57.69 H new ATOM 0 HB3 LEU A 8 -27.879 -16.909 9.459 1.00 57.69 H new ATOM 0 HG LEU A 8 -26.368 -19.171 10.744 1.00 57.52 H new ATOM 0 HD11 LEU A 8 -27.453 -20.525 8.885 1.00 58.28 H new ATOM 0 HD12 LEU A 8 -28.663 -19.775 9.953 1.00 58.28 H new ATOM 0 HD13 LEU A 8 -28.313 -19.057 8.363 1.00 58.28 H new ATOM 0 HD21 LEU A 8 -25.275 -19.572 8.578 1.00 56.55 H new ATOM 0 HD22 LEU A 8 -25.990 -18.066 7.955 1.00 56.55 H new ATOM 0 HD23 LEU A 8 -24.828 -18.009 9.301 1.00 56.55 H new ATOM 112 N VAL A 9 -24.867 -15.900 12.764 1.00 55.28 N ATOM 113 CA VAL A 9 -24.170 -15.981 14.056 1.00 54.97 C ATOM 114 C VAL A 9 -24.268 -14.626 14.769 1.00 54.57 C ATOM 115 O VAL A 9 -23.524 -13.687 14.470 1.00 53.70 O ATOM 116 CB VAL A 9 -22.700 -16.441 13.891 1.00 54.10 C ATOM 117 CG1 VAL A 9 -22.638 -17.961 13.727 1.00 54.94 C ATOM 118 CG2 VAL A 9 -21.950 -15.819 12.700 1.00 53.10 C ATOM 0 H VAL A 9 -24.649 -15.032 12.275 1.00 55.28 H new ATOM 0 HA VAL A 9 -24.656 -16.739 14.671 1.00 54.97 H new ATOM 0 HB VAL A 9 -22.206 -16.098 14.800 1.00 54.10 H new ATOM 0 HG11 VAL A 9 -21.600 -18.272 13.612 1.00 54.94 H new ATOM 0 HG12 VAL A 9 -23.065 -18.440 14.608 1.00 54.94 H new ATOM 0 HG13 VAL A 9 -23.205 -18.255 12.844 1.00 54.94 H new ATOM 0 HG21 VAL A 9 -20.931 -16.204 12.671 1.00 53.10 H new ATOM 0 HG22 VAL A 9 -22.462 -16.077 11.773 1.00 53.10 H new ATOM 0 HG23 VAL A 9 -21.925 -14.735 12.812 1.00 53.10 H new ATOM 128 N ASP A 10 -25.233 -14.493 15.683 1.00 55.31 N ATOM 129 CA ASP A 10 -25.550 -13.222 16.352 1.00 55.15 C ATOM 130 C ASP A 10 -24.573 -12.921 17.499 1.00 54.56 C ATOM 131 O ASP A 10 -24.780 -13.308 18.653 1.00 55.29 O ATOM 132 CB ASP A 10 -27.017 -13.196 16.816 1.00 56.44 C ATOM 133 CG ASP A 10 -27.397 -11.895 17.542 1.00 56.83 C ATOM 134 OD1 ASP A 10 -26.733 -10.844 17.365 1.00 56.18 O ATOM 135 OD2 ASP A 10 -28.392 -11.904 18.305 1.00 57.90 O ATOM 0 H ASP A 10 -25.823 -15.269 15.984 1.00 55.31 H new ATOM 0 HA ASP A 10 -25.425 -12.421 15.623 1.00 55.15 H new ATOM 0 HB2 ASP A 10 -27.668 -13.326 15.951 1.00 56.44 H new ATOM 0 HB3 ASP A 10 -27.197 -14.041 17.480 1.00 56.44 H new ATOM 140 N SER A 11 -23.522 -12.182 17.157 1.00 53.31 N ATOM 141 CA SER A 11 -22.658 -11.437 18.069 1.00 52.67 C ATOM 142 C SER A 11 -22.069 -10.236 17.328 1.00 51.41 C ATOM 143 O SER A 11 -21.901 -10.269 16.104 1.00 50.97 O ATOM 144 CB SER A 11 -21.535 -12.313 18.633 1.00 52.52 C ATOM 145 OG SER A 11 -20.618 -12.699 17.627 1.00 52.05 O ATOM 0 H SER A 11 -23.234 -12.081 16.184 1.00 53.31 H new ATOM 0 HA SER A 11 -23.258 -11.099 18.914 1.00 52.67 H new ATOM 0 HB2 SER A 11 -21.008 -11.769 19.417 1.00 52.52 H new ATOM 0 HB3 SER A 11 -21.964 -13.202 19.095 1.00 52.52 H new ATOM 0 HG SER A 11 -19.914 -13.255 18.022 1.00 52.05 H new ATOM 151 N ASN A 12 -21.753 -9.166 18.051 1.00 50.91 N ATOM 152 CA ASN A 12 -21.120 -7.979 17.486 1.00 49.78 C ATOM 153 C ASN A 12 -19.592 -8.036 17.720 1.00 48.74 C ATOM 154 O ASN A 12 -19.158 -8.504 18.781 1.00 49.00 O ATOM 155 CB ASN A 12 -21.777 -6.709 18.055 1.00 49.96 C ATOM 156 CG ASN A 12 -23.250 -6.520 17.696 1.00 50.65 C ATOM 157 OD1 ASN A 12 -23.956 -7.404 17.213 1.00 51.07 O ATOM 158 ND2 ASN A 12 -23.764 -5.339 17.929 1.00 50.89 N ATOM 0 H ASN A 12 -21.930 -9.098 19.053 1.00 50.91 H new ATOM 0 HA ASN A 12 -21.271 -7.949 16.407 1.00 49.78 H new ATOM 0 HB2 ASN A 12 -21.684 -6.727 19.141 1.00 49.96 H new ATOM 0 HB3 ASN A 12 -21.220 -5.842 17.701 1.00 49.96 H new ATOM 0 HD21 ASN A 12 -24.743 -5.157 17.710 1.00 50.89 H new ATOM 0 HD22 ASN A 12 -23.185 -4.601 18.329 1.00 50.89 H new ATOM 165 N PRO A 13 -18.763 -7.583 16.761 1.00 47.64 N ATOM 166 CA PRO A 13 -17.313 -7.503 16.930 1.00 46.67 C ATOM 167 C PRO A 13 -16.904 -6.263 17.741 1.00 46.01 C ATOM 168 O PRO A 13 -17.628 -5.262 17.775 1.00 45.96 O ATOM 169 CB PRO A 13 -16.759 -7.437 15.502 1.00 45.87 C ATOM 170 CG PRO A 13 -17.846 -6.669 14.749 1.00 46.10 C ATOM 171 CD PRO A 13 -19.135 -7.151 15.417 1.00 47.38 C ATOM 0 HA PRO A 13 -16.923 -8.355 17.487 1.00 46.67 H new ATOM 0 HB2 PRO A 13 -15.800 -6.921 15.464 1.00 45.87 H new ATOM 0 HB3 PRO A 13 -16.603 -8.431 15.083 1.00 45.87 H new ATOM 0 HG2 PRO A 13 -17.720 -5.591 14.847 1.00 46.10 H new ATOM 0 HG3 PRO A 13 -17.835 -6.896 13.683 1.00 46.10 H new ATOM 0 HD2 PRO A 13 -19.875 -6.352 15.456 1.00 47.38 H new ATOM 0 HD3 PRO A 13 -19.581 -7.971 14.855 1.00 47.38 H new ATOM 179 N ALA A 14 -15.708 -6.291 18.328 1.00 45.56 N ATOM 180 CA ALA A 14 -14.976 -5.104 18.772 1.00 44.78 C ATOM 181 C ALA A 14 -13.758 -4.856 17.854 1.00 43.14 C ATOM 182 O ALA A 14 -13.060 -5.828 17.521 1.00 42.59 O ATOM 183 CB ALA A 14 -14.565 -5.281 20.237 1.00 45.41 C ATOM 0 H ALA A 14 -15.209 -7.161 18.513 1.00 45.56 H new ATOM 0 HA ALA A 14 -15.615 -4.224 18.704 1.00 44.78 H new ATOM 0 HB1 ALA A 14 -14.019 -4.398 20.571 1.00 45.41 H new ATOM 0 HB2 ALA A 14 -15.456 -5.411 20.852 1.00 45.41 H new ATOM 0 HB3 ALA A 14 -13.927 -6.160 20.332 1.00 45.41 H new ATOM 189 N PRO A 15 -13.465 -3.603 17.443 1.00 42.45 N ATOM 190 CA PRO A 15 -12.345 -3.298 16.548 1.00 40.97 C ATOM 191 C PRO A 15 -10.991 -3.797 17.088 1.00 40.19 C ATOM 192 O PRO A 15 -10.744 -3.657 18.291 1.00 40.66 O ATOM 193 CB PRO A 15 -12.343 -1.774 16.383 1.00 40.73 C ATOM 194 CG PRO A 15 -13.800 -1.391 16.620 1.00 42.06 C ATOM 195 CD PRO A 15 -14.241 -2.392 17.686 1.00 43.13 C ATOM 0 HA PRO A 15 -12.474 -3.813 15.596 1.00 40.97 H new ATOM 0 HB2 PRO A 15 -11.679 -1.293 17.101 1.00 40.73 H new ATOM 0 HB3 PRO A 15 -12.006 -1.478 15.390 1.00 40.73 H new ATOM 0 HG2 PRO A 15 -13.897 -0.362 16.966 1.00 42.06 H new ATOM 0 HG3 PRO A 15 -14.395 -1.479 15.711 1.00 42.06 H new ATOM 0 HD2 PRO A 15 -14.055 -2.003 18.687 1.00 43.13 H new ATOM 0 HD3 PRO A 15 -15.310 -2.592 17.615 1.00 43.13 H new ATOM 203 N PRO A 16 -10.092 -4.331 16.235 1.00 39.11 N ATOM 204 CA PRO A 16 -8.808 -4.930 16.631 1.00 38.44 C ATOM 205 C PRO A 16 -7.722 -3.890 16.982 1.00 37.67 C ATOM 206 O PRO A 16 -6.537 -4.082 16.698 1.00 36.95 O ATOM 207 CB PRO A 16 -8.427 -5.833 15.450 1.00 37.76 C ATOM 208 CG PRO A 16 -8.975 -5.059 14.254 1.00 37.46 C ATOM 209 CD PRO A 16 -10.289 -4.503 14.798 1.00 38.61 C ATOM 0 HA PRO A 16 -8.898 -5.493 17.560 1.00 38.44 H new ATOM 0 HB2 PRO A 16 -7.349 -5.978 15.381 1.00 37.76 H new ATOM 0 HB3 PRO A 16 -8.876 -6.822 15.534 1.00 37.76 H new ATOM 0 HG2 PRO A 16 -8.298 -4.265 13.939 1.00 37.46 H new ATOM 0 HG3 PRO A 16 -9.134 -5.705 13.390 1.00 37.46 H new ATOM 0 HD2 PRO A 16 -10.537 -3.554 14.322 1.00 38.61 H new ATOM 0 HD3 PRO A 16 -11.114 -5.186 14.597 1.00 38.61 H new ATOM 217 N GLU A 17 -8.110 -2.760 17.566 1.00 37.88 N ATOM 218 CA GLU A 17 -7.234 -1.628 17.883 1.00 37.35 C ATOM 219 C GLU A 17 -6.474 -1.812 19.212 1.00 36.95 C ATOM 220 O GLU A 17 -6.846 -2.636 20.059 1.00 37.58 O ATOM 221 CB GLU A 17 -8.046 -0.321 17.817 1.00 38.27 C ATOM 222 CG GLU A 17 -8.960 -0.109 19.029 1.00 39.21 C ATOM 223 CD GLU A 17 -9.914 1.084 18.870 1.00 40.33 C ATOM 224 OE1 GLU A 17 -9.659 2.021 18.073 1.00 40.18 O ATOM 225 OE2 GLU A 17 -10.947 1.112 19.580 1.00 41.49 O ATOM 0 H GLU A 17 -9.078 -2.598 17.843 1.00 37.88 H new ATOM 0 HA GLU A 17 -6.446 -1.575 17.132 1.00 37.35 H new ATOM 0 HB2 GLU A 17 -7.359 0.521 17.738 1.00 38.27 H new ATOM 0 HB3 GLU A 17 -8.652 -0.324 16.911 1.00 38.27 H new ATOM 0 HG2 GLU A 17 -9.545 -1.013 19.196 1.00 39.21 H new ATOM 0 HG3 GLU A 17 -8.346 0.042 19.917 1.00 39.21 H new ATOM 232 N SER A 18 -5.411 -1.028 19.400 1.00 36.03 N ATOM 233 CA SER A 18 -4.628 -0.969 20.639 1.00 35.73 C ATOM 234 C SER A 18 -5.474 -0.437 21.798 1.00 36.35 C ATOM 235 O SER A 18 -6.154 0.584 21.665 1.00 36.68 O ATOM 236 CB SER A 18 -3.423 -0.055 20.424 1.00 34.81 C ATOM 237 OG SER A 18 -2.554 -0.073 21.541 1.00 34.87 O ATOM 0 H SER A 18 -5.060 -0.400 18.677 1.00 36.03 H new ATOM 0 HA SER A 18 -4.297 -1.976 20.893 1.00 35.73 H new ATOM 0 HB2 SER A 18 -2.880 -0.371 19.533 1.00 34.81 H new ATOM 0 HB3 SER A 18 -3.765 0.964 20.244 1.00 34.81 H new ATOM 0 HG SER A 18 -2.791 0.656 22.151 1.00 34.87 H new ATOM 243 N GLN A 19 -5.448 -1.120 22.943 1.00 36.65 N ATOM 244 CA GLN A 19 -6.311 -0.792 24.085 1.00 37.40 C ATOM 245 C GLN A 19 -5.737 0.277 25.020 1.00 36.95 C ATOM 246 O GLN A 19 -6.487 0.884 25.787 1.00 37.84 O ATOM 247 CB GLN A 19 -6.623 -2.077 24.865 1.00 38.24 C ATOM 248 CG GLN A 19 -7.344 -3.135 24.018 1.00 38.60 C ATOM 249 CD GLN A 19 -8.690 -2.649 23.491 1.00 39.24 C ATOM 250 OE1 GLN A 19 -9.592 -2.294 24.247 1.00 39.84 O ATOM 251 NE2 GLN A 19 -8.869 -2.577 22.192 1.00 39.24 N ATOM 0 H GLN A 19 -4.831 -1.915 23.108 1.00 36.65 H new ATOM 0 HA GLN A 19 -7.223 -0.357 23.676 1.00 37.40 H new ATOM 0 HB2 GLN A 19 -5.693 -2.498 25.247 1.00 38.24 H new ATOM 0 HB3 GLN A 19 -7.240 -1.830 25.729 1.00 38.24 H new ATOM 0 HG2 GLN A 19 -6.709 -3.416 23.178 1.00 38.60 H new ATOM 0 HG3 GLN A 19 -7.496 -4.033 24.617 1.00 38.60 H new ATOM 0 HE21 GLN A 19 -8.126 -2.870 21.558 1.00 39.24 H new ATOM 0 HE22 GLN A 19 -9.751 -2.229 21.817 1.00 39.24 H new ATOM 260 N GLU A 20 -4.426 0.491 24.961 1.00 35.69 N ATOM 261 CA GLU A 20 -3.645 1.419 25.786 1.00 35.17 C ATOM 262 C GLU A 20 -2.415 1.938 25.023 1.00 32.92 C ATOM 263 O GLU A 20 -1.868 1.240 24.166 1.00 31.89 O ATOM 264 CB GLU A 20 -3.158 0.722 27.073 1.00 36.12 C ATOM 265 CG GLU A 20 -4.243 0.520 28.141 1.00 37.81 C ATOM 266 CD GLU A 20 -4.767 1.847 28.703 1.00 38.59 C ATOM 267 OE1 GLU A 20 -3.965 2.785 28.937 1.00 38.39 O ATOM 268 OE2 GLU A 20 -5.987 1.961 28.977 1.00 39.55 O ATOM 0 H GLU A 20 -3.839 -0.010 24.294 1.00 35.69 H new ATOM 0 HA GLU A 20 -4.298 2.255 26.037 1.00 35.17 H new ATOM 0 HB2 GLU A 20 -2.742 -0.250 26.809 1.00 36.12 H new ATOM 0 HB3 GLU A 20 -2.347 1.309 27.504 1.00 36.12 H new ATOM 0 HG2 GLU A 20 -5.072 -0.041 27.710 1.00 37.81 H new ATOM 0 HG3 GLU A 20 -3.839 -0.082 28.955 1.00 37.81 H new ATOM 275 N LYS A 21 -1.935 3.137 25.379 1.00 32.24 N ATOM 276 CA LYS A 21 -0.714 3.753 24.832 1.00 30.18 C ATOM 277 C LYS A 21 0.514 2.840 24.992 1.00 28.91 C ATOM 278 O LYS A 21 0.823 2.410 26.110 1.00 29.71 O ATOM 279 CB LYS A 21 -0.531 5.113 25.531 1.00 30.45 C ATOM 280 CG LYS A 21 0.651 5.962 25.032 1.00 28.98 C ATOM 281 CD LYS A 21 0.609 7.344 25.709 1.00 30.14 C ATOM 282 CE LYS A 21 1.813 8.238 25.390 1.00 29.34 C ATOM 283 NZ LYS A 21 1.867 8.658 23.971 1.00 28.74 N ATOM 0 H LYS A 21 -2.397 3.723 26.075 1.00 32.24 H new ATOM 0 HA LYS A 21 -0.816 3.902 23.757 1.00 30.18 H new ATOM 0 HB2 LYS A 21 -1.447 5.691 25.409 1.00 30.45 H new ATOM 0 HB3 LYS A 21 -0.404 4.938 26.599 1.00 30.45 H new ATOM 0 HG2 LYS A 21 1.593 5.462 25.258 1.00 28.98 H new ATOM 0 HG3 LYS A 21 0.601 6.074 23.949 1.00 28.98 H new ATOM 0 HD2 LYS A 21 -0.302 7.858 25.403 1.00 30.14 H new ATOM 0 HD3 LYS A 21 0.550 7.205 26.789 1.00 30.14 H new ATOM 0 HE2 LYS A 21 1.777 9.124 26.024 1.00 29.34 H new ATOM 0 HE3 LYS A 21 2.730 7.704 25.640 1.00 29.34 H new ATOM 0 HZ1 LYS A 21 2.702 9.259 23.818 1.00 28.74 H new ATOM 0 HZ2 LYS A 21 1.930 7.817 23.362 1.00 28.74 H new ATOM 0 HZ3 LYS A 21 1.007 9.193 23.734 1.00 28.74 H new ATOM 297 N LYS A 22 1.224 2.567 23.891 1.00 27.03 N ATOM 298 CA LYS A 22 2.553 1.920 23.850 1.00 25.59 C ATOM 299 C LYS A 22 3.670 2.959 24.103 1.00 24.26 C ATOM 300 O LYS A 22 3.467 4.135 23.787 1.00 23.84 O ATOM 301 CB LYS A 22 2.777 1.242 22.478 1.00 24.28 C ATOM 302 CG LYS A 22 2.442 -0.255 22.385 1.00 24.98 C ATOM 303 CD LYS A 22 0.950 -0.616 22.379 1.00 26.55 C ATOM 304 CE LYS A 22 0.414 -0.964 23.771 1.00 28.54 C ATOM 305 NZ LYS A 22 -1.005 -1.380 23.703 1.00 30.09 N ATOM 0 H LYS A 22 0.878 2.799 22.960 1.00 27.03 H new ATOM 0 HA LYS A 22 2.589 1.164 24.634 1.00 25.59 H new ATOM 0 HB2 LYS A 22 2.180 1.771 21.735 1.00 24.28 H new ATOM 0 HB3 LYS A 22 3.822 1.375 22.200 1.00 24.28 H new ATOM 0 HG2 LYS A 22 2.894 -0.652 21.476 1.00 24.98 H new ATOM 0 HG3 LYS A 22 2.915 -0.765 23.225 1.00 24.98 H new ATOM 0 HD2 LYS A 22 0.381 0.221 21.975 1.00 26.55 H new ATOM 0 HD3 LYS A 22 0.789 -1.463 21.711 1.00 26.55 H new ATOM 0 HE2 LYS A 22 1.012 -1.766 24.205 1.00 28.54 H new ATOM 0 HE3 LYS A 22 0.513 -0.101 24.429 1.00 28.54 H new ATOM 0 HZ1 LYS A 22 -1.475 -1.158 24.603 1.00 30.09 H new ATOM 0 HZ2 LYS A 22 -1.479 -0.871 22.930 1.00 30.09 H new ATOM 0 HZ3 LYS A 22 -1.059 -2.404 23.528 1.00 30.09 H new ATOM 319 N PRO A 23 4.854 2.555 24.606 1.00 23.75 N ATOM 320 CA PRO A 23 6.001 3.453 24.763 1.00 22.59 C ATOM 321 C PRO A 23 6.442 4.053 23.421 1.00 20.28 C ATOM 322 O PRO A 23 6.458 3.362 22.397 1.00 19.22 O ATOM 323 CB PRO A 23 7.112 2.600 25.389 1.00 22.74 C ATOM 324 CG PRO A 23 6.767 1.181 24.941 1.00 23.17 C ATOM 325 CD PRO A 23 5.239 1.193 24.951 1.00 24.41 C ATOM 0 HA PRO A 23 5.750 4.307 25.392 1.00 22.59 H new ATOM 0 HB2 PRO A 23 8.098 2.904 25.037 1.00 22.74 H new ATOM 0 HB3 PRO A 23 7.121 2.687 26.475 1.00 22.74 H new ATOM 0 HG2 PRO A 23 7.165 0.960 23.950 1.00 23.17 H new ATOM 0 HG3 PRO A 23 7.171 0.431 25.621 1.00 23.17 H new ATOM 0 HD2 PRO A 23 4.837 0.478 24.233 1.00 24.41 H new ATOM 0 HD3 PRO A 23 4.852 0.913 25.930 1.00 24.41 H new ATOM 333 N LEU A 24 6.807 5.337 23.410 1.00 19.67 N ATOM 334 CA LEU A 24 7.198 6.052 22.189 1.00 17.67 C ATOM 335 C LEU A 24 8.589 5.639 21.666 1.00 15.88 C ATOM 336 O LEU A 24 9.570 5.643 22.421 1.00 16.40 O ATOM 337 CB LEU A 24 7.014 7.578 22.364 1.00 18.25 C ATOM 338 CG LEU A 24 8.058 8.348 23.204 1.00 18.49 C ATOM 339 CD1 LEU A 24 7.727 9.839 23.180 1.00 19.00 C ATOM 340 CD2 LEU A 24 8.125 7.930 24.673 1.00 19.65 C ATOM 0 H LEU A 24 6.840 5.914 24.250 1.00 19.67 H new ATOM 0 HA LEU A 24 6.519 5.748 21.393 1.00 17.67 H new ATOM 0 HB2 LEU A 24 6.990 8.026 21.371 1.00 18.25 H new ATOM 0 HB3 LEU A 24 6.035 7.746 22.814 1.00 18.25 H new ATOM 0 HG LEU A 24 9.021 8.116 22.748 1.00 18.49 H new ATOM 0 HD11 LEU A 24 8.462 10.384 23.772 1.00 19.00 H new ATOM 0 HD12 LEU A 24 7.749 10.200 22.152 1.00 19.00 H new ATOM 0 HD13 LEU A 24 6.733 9.998 23.599 1.00 19.00 H new ATOM 0 HD21 LEU A 24 8.884 8.522 25.185 1.00 19.65 H new ATOM 0 HD22 LEU A 24 7.156 8.097 25.143 1.00 19.65 H new ATOM 0 HD23 LEU A 24 8.383 6.873 24.739 1.00 19.65 H new ATOM 352 N LYS A 25 8.686 5.307 20.369 1.00 13.95 N ATOM 353 CA LYS A 25 9.915 4.880 19.665 1.00 12.18 C ATOM 354 C LYS A 25 10.023 5.554 18.280 1.00 10.13 C ATOM 355 O LYS A 25 9.011 5.626 17.577 1.00 9.66 O ATOM 356 CB LYS A 25 9.928 3.344 19.510 1.00 12.00 C ATOM 357 CG LYS A 25 10.038 2.587 20.847 1.00 13.98 C ATOM 358 CD LYS A 25 9.922 1.063 20.688 1.00 14.31 C ATOM 359 CE LYS A 25 11.127 0.432 19.977 1.00 14.12 C ATOM 360 NZ LYS A 25 10.990 -1.044 19.894 1.00 15.21 N ATOM 0 H LYS A 25 7.875 5.328 19.750 1.00 13.95 H new ATOM 0 HA LYS A 25 10.774 5.188 20.261 1.00 12.18 H new ATOM 0 HB2 LYS A 25 9.017 3.032 19.000 1.00 12.00 H new ATOM 0 HB3 LYS A 25 10.764 3.059 18.872 1.00 12.00 H new ATOM 0 HG2 LYS A 25 10.993 2.826 21.315 1.00 13.98 H new ATOM 0 HG3 LYS A 25 9.256 2.937 21.521 1.00 13.98 H new ATOM 0 HD2 LYS A 25 9.812 0.609 21.673 1.00 14.31 H new ATOM 0 HD3 LYS A 25 9.016 0.831 20.128 1.00 14.31 H new ATOM 0 HE2 LYS A 25 11.219 0.848 18.974 1.00 14.12 H new ATOM 0 HE3 LYS A 25 12.042 0.685 20.513 1.00 14.12 H new ATOM 0 HZ1 LYS A 25 11.819 -1.443 19.409 1.00 15.21 H new ATOM 0 HZ2 LYS A 25 10.926 -1.441 20.853 1.00 15.21 H new ATOM 0 HZ3 LYS A 25 10.129 -1.283 19.362 1.00 15.21 H new ATOM 374 N PRO A 26 11.207 6.021 17.840 1.00 9.30 N ATOM 375 CA PRO A 26 11.370 6.692 16.546 1.00 7.88 C ATOM 376 C PRO A 26 11.224 5.722 15.362 1.00 6.09 C ATOM 377 O PRO A 26 11.676 4.575 15.428 1.00 6.06 O ATOM 378 CB PRO A 26 12.765 7.327 16.593 1.00 8.55 C ATOM 379 CG PRO A 26 13.541 6.395 17.525 1.00 9.63 C ATOM 380 CD PRO A 26 12.482 5.968 18.541 1.00 10.33 C ATOM 0 HA PRO A 26 10.591 7.438 16.388 1.00 7.88 H new ATOM 0 HB2 PRO A 26 13.219 7.376 15.603 1.00 8.55 H new ATOM 0 HB3 PRO A 26 12.731 8.346 16.979 1.00 8.55 H new ATOM 0 HG2 PRO A 26 13.954 5.541 16.989 1.00 9.63 H new ATOM 0 HG3 PRO A 26 14.377 6.906 18.003 1.00 9.63 H new ATOM 0 HD2 PRO A 26 12.681 4.963 18.913 1.00 10.33 H new ATOM 0 HD3 PRO A 26 12.480 6.633 19.405 1.00 10.33 H new ATOM 388 N CYS A 27 10.605 6.185 14.269 1.00 5.38 N ATOM 389 CA CYS A 27 10.410 5.452 13.004 1.00 4.60 C ATOM 390 C CYS A 27 9.702 4.078 13.128 1.00 3.43 C ATOM 391 O CYS A 27 9.771 3.257 12.204 1.00 4.25 O ATOM 392 CB CYS A 27 11.748 5.380 12.237 1.00 5.48 C ATOM 393 SG CYS A 27 12.449 7.045 11.998 1.00 7.11 S ATOM 0 H CYS A 27 10.207 7.124 14.237 1.00 5.38 H new ATOM 0 HA CYS A 27 9.692 6.029 12.421 1.00 4.60 H new ATOM 0 HB2 CYS A 27 12.455 4.759 12.787 1.00 5.48 H new ATOM 0 HB3 CYS A 27 11.592 4.904 11.269 1.00 5.48 H new ATOM 0 HG CYS A 27 13.574 6.954 11.353 1.00 7.11 H new ATOM 399 N CYS A 28 9.039 3.817 14.263 1.00 2.60 N ATOM 400 CA CYS A 28 8.415 2.549 14.649 1.00 2.47 C ATOM 401 C CYS A 28 7.058 2.329 13.941 1.00 2.57 C ATOM 402 O CYS A 28 5.980 2.498 14.522 1.00 3.28 O ATOM 403 CB CYS A 28 8.346 2.524 16.183 1.00 3.29 C ATOM 404 SG CYS A 28 7.836 0.888 16.787 1.00 4.61 S ATOM 0 H CYS A 28 8.918 4.533 14.980 1.00 2.60 H new ATOM 0 HA CYS A 28 9.011 1.700 14.316 1.00 2.47 H new ATOM 0 HB2 CYS A 28 9.320 2.781 16.598 1.00 3.29 H new ATOM 0 HB3 CYS A 28 7.642 3.280 16.531 1.00 3.29 H new ATOM 0 HG CYS A 28 7.790 0.900 18.086 1.00 4.61 H new ATOM 410 N ALA A 29 7.143 1.957 12.662 1.00 2.09 N ATOM 411 CA ALA A 29 6.035 1.690 11.743 1.00 2.19 C ATOM 412 C ALA A 29 6.360 0.488 10.823 1.00 1.78 C ATOM 413 O ALA A 29 7.399 -0.162 10.980 1.00 1.68 O ATOM 414 CB ALA A 29 5.786 2.978 10.941 1.00 2.37 C ATOM 0 H ALA A 29 8.048 1.826 12.211 1.00 2.09 H new ATOM 0 HA ALA A 29 5.133 1.417 12.290 1.00 2.19 H new ATOM 0 HB1 ALA A 29 4.965 2.819 10.243 1.00 2.37 H new ATOM 0 HB2 ALA A 29 5.530 3.788 11.624 1.00 2.37 H new ATOM 0 HB3 ALA A 29 6.687 3.242 10.387 1.00 2.37 H new ATOM 420 N SER A 30 5.499 0.208 9.840 1.00 1.79 N ATOM 421 CA SER A 30 5.689 -0.832 8.814 1.00 1.47 C ATOM 422 C SER A 30 5.793 -0.252 7.393 1.00 1.13 C ATOM 423 O SER A 30 4.888 -0.457 6.570 1.00 1.38 O ATOM 424 CB SER A 30 4.588 -1.890 8.929 1.00 1.99 C ATOM 425 OG SER A 30 4.875 -2.701 10.048 1.00 3.07 O ATOM 0 H SER A 30 4.620 0.714 9.729 1.00 1.79 H new ATOM 0 HA SER A 30 6.649 -1.314 9.001 1.00 1.47 H new ATOM 0 HB2 SER A 30 3.614 -1.415 9.043 1.00 1.99 H new ATOM 0 HB3 SER A 30 4.544 -2.494 8.023 1.00 1.99 H new ATOM 0 HG SER A 30 4.181 -3.386 10.142 1.00 3.07 H new ATOM 431 N PRO A 31 6.895 0.459 7.063 1.00 0.90 N ATOM 432 CA PRO A 31 7.141 1.002 5.725 1.00 1.13 C ATOM 433 C PRO A 31 7.182 -0.056 4.611 1.00 0.87 C ATOM 434 O PRO A 31 7.007 0.313 3.452 1.00 1.03 O ATOM 435 CB PRO A 31 8.465 1.766 5.827 1.00 1.47 C ATOM 436 CG PRO A 31 9.196 1.079 6.974 1.00 1.18 C ATOM 437 CD PRO A 31 8.045 0.745 7.918 1.00 0.86 C ATOM 0 HA PRO A 31 6.311 1.645 5.432 1.00 1.13 H new ATOM 0 HB2 PRO A 31 9.033 1.707 4.899 1.00 1.47 H new ATOM 0 HB3 PRO A 31 8.301 2.824 6.034 1.00 1.47 H new ATOM 0 HG2 PRO A 31 9.727 0.186 6.644 1.00 1.18 H new ATOM 0 HG3 PRO A 31 9.932 1.734 7.441 1.00 1.18 H new ATOM 0 HD2 PRO A 31 8.290 -0.114 8.543 1.00 0.86 H new ATOM 0 HD3 PRO A 31 7.835 1.578 8.588 1.00 0.86 H new ATOM 445 N GLU A 32 7.314 -1.358 4.910 1.00 0.59 N ATOM 446 CA GLU A 32 7.175 -2.424 3.901 1.00 0.56 C ATOM 447 C GLU A 32 5.839 -2.345 3.140 1.00 0.51 C ATOM 448 O GLU A 32 5.808 -2.652 1.950 1.00 0.49 O ATOM 449 CB GLU A 32 7.390 -3.831 4.503 1.00 0.68 C ATOM 450 CG GLU A 32 6.254 -4.357 5.403 1.00 2.07 C ATOM 451 CD GLU A 32 6.536 -5.778 5.917 1.00 2.60 C ATOM 452 OE1 GLU A 32 6.752 -6.708 5.104 1.00 3.52 O ATOM 453 OE2 GLU A 32 6.536 -6.003 7.156 1.00 3.09 O ATOM 0 H GLU A 32 7.518 -1.701 5.849 1.00 0.59 H new ATOM 0 HA GLU A 32 7.970 -2.253 3.175 1.00 0.56 H new ATOM 0 HB2 GLU A 32 7.536 -4.537 3.685 1.00 0.68 H new ATOM 0 HB3 GLU A 32 8.312 -3.820 5.084 1.00 0.68 H new ATOM 0 HG2 GLU A 32 6.123 -3.685 6.251 1.00 2.07 H new ATOM 0 HG3 GLU A 32 5.318 -4.353 4.845 1.00 2.07 H new ATOM 460 N THR A 33 4.769 -1.861 3.792 1.00 0.54 N ATOM 461 CA THR A 33 3.439 -1.662 3.188 1.00 0.56 C ATOM 462 C THR A 33 3.427 -0.489 2.203 1.00 0.62 C ATOM 463 O THR A 33 2.942 -0.622 1.082 1.00 0.58 O ATOM 464 CB THR A 33 2.353 -1.438 4.257 1.00 0.68 C ATOM 465 OG1 THR A 33 2.604 -0.267 5.005 1.00 0.74 O ATOM 466 CG2 THR A 33 2.223 -2.600 5.240 1.00 0.69 C ATOM 0 H THR A 33 4.804 -1.591 4.775 1.00 0.54 H new ATOM 0 HA THR A 33 3.215 -2.579 2.644 1.00 0.56 H new ATOM 0 HB THR A 33 1.422 -1.348 3.698 1.00 0.68 H new ATOM 0 HG1 THR A 33 3.417 -0.388 5.539 1.00 0.74 H new ATOM 0 HG21 THR A 33 1.441 -2.377 5.966 1.00 0.69 H new ATOM 0 HG22 THR A 33 1.965 -3.509 4.697 1.00 0.69 H new ATOM 0 HG23 THR A 33 3.170 -2.744 5.760 1.00 0.69 H new ATOM 474 N LYS A 34 4.042 0.642 2.567 1.00 0.78 N ATOM 475 CA LYS A 34 4.278 1.804 1.693 1.00 0.91 C ATOM 476 C LYS A 34 5.171 1.427 0.503 1.00 0.81 C ATOM 477 O LYS A 34 4.857 1.772 -0.633 1.00 0.79 O ATOM 478 CB LYS A 34 4.843 2.950 2.564 1.00 1.15 C ATOM 479 CG LYS A 34 5.762 3.958 1.857 1.00 1.40 C ATOM 480 CD LYS A 34 5.068 4.843 0.811 1.00 2.87 C ATOM 481 CE LYS A 34 6.147 5.644 0.071 1.00 3.28 C ATOM 482 NZ LYS A 34 5.603 6.372 -1.099 1.00 4.30 N ATOM 0 H LYS A 34 4.403 0.781 3.511 1.00 0.78 H new ATOM 0 HA LYS A 34 3.348 2.151 1.242 1.00 0.91 H new ATOM 0 HB2 LYS A 34 4.004 3.497 2.995 1.00 1.15 H new ATOM 0 HB3 LYS A 34 5.395 2.508 3.393 1.00 1.15 H new ATOM 0 HG2 LYS A 34 6.219 4.601 2.609 1.00 1.40 H new ATOM 0 HG3 LYS A 34 6.570 3.412 1.371 1.00 1.40 H new ATOM 0 HD2 LYS A 34 4.501 4.230 0.110 1.00 2.87 H new ATOM 0 HD3 LYS A 34 4.358 5.516 1.292 1.00 2.87 H new ATOM 0 HE2 LYS A 34 6.604 6.356 0.759 1.00 3.28 H new ATOM 0 HE3 LYS A 34 6.936 4.968 -0.259 1.00 3.28 H new ATOM 0 HZ1 LYS A 34 6.166 7.230 -1.267 1.00 4.30 H new ATOM 0 HZ2 LYS A 34 5.646 5.760 -1.939 1.00 4.30 H new ATOM 0 HZ3 LYS A 34 4.615 6.637 -0.914 1.00 4.30 H new ATOM 496 N LYS A 35 6.246 0.668 0.731 1.00 0.79 N ATOM 497 CA LYS A 35 7.136 0.157 -0.328 1.00 0.76 C ATOM 498 C LYS A 35 6.416 -0.835 -1.251 1.00 0.57 C ATOM 499 O LYS A 35 6.645 -0.812 -2.460 1.00 0.53 O ATOM 500 CB LYS A 35 8.398 -0.448 0.319 1.00 0.89 C ATOM 501 CG LYS A 35 9.548 0.554 0.537 1.00 1.26 C ATOM 502 CD LYS A 35 9.163 1.892 1.194 1.00 1.54 C ATOM 503 CE LYS A 35 10.423 2.719 1.452 1.00 1.97 C ATOM 504 NZ LYS A 35 10.086 4.104 1.837 1.00 3.66 N ATOM 0 H LYS A 35 6.531 0.384 1.668 1.00 0.79 H new ATOM 0 HA LYS A 35 7.440 0.985 -0.969 1.00 0.76 H new ATOM 0 HB2 LYS A 35 8.125 -0.883 1.280 1.00 0.89 H new ATOM 0 HB3 LYS A 35 8.758 -1.263 -0.309 1.00 0.89 H new ATOM 0 HG2 LYS A 35 10.309 0.075 1.154 1.00 1.26 H new ATOM 0 HG3 LYS A 35 10.007 0.765 -0.429 1.00 1.26 H new ATOM 0 HD2 LYS A 35 8.480 2.443 0.547 1.00 1.54 H new ATOM 0 HD3 LYS A 35 8.637 1.710 2.131 1.00 1.54 H new ATOM 0 HE2 LYS A 35 11.011 2.253 2.242 1.00 1.97 H new ATOM 0 HE3 LYS A 35 11.044 2.729 0.556 1.00 1.97 H new ATOM 0 HZ1 LYS A 35 10.961 4.640 2.005 1.00 3.66 H new ATOM 0 HZ2 LYS A 35 9.545 4.555 1.072 1.00 3.66 H new ATOM 0 HZ3 LYS A 35 9.514 4.093 2.705 1.00 3.66 H new ATOM 518 N ALA A 36 5.487 -1.626 -0.718 1.00 0.54 N ATOM 519 CA ALA A 36 4.622 -2.499 -1.514 1.00 0.48 C ATOM 520 C ALA A 36 3.552 -1.712 -2.299 1.00 0.47 C ATOM 521 O ALA A 36 3.238 -2.076 -3.432 1.00 0.46 O ATOM 522 CB ALA A 36 4.026 -3.576 -0.599 1.00 0.47 C ATOM 0 H ALA A 36 5.311 -1.681 0.285 1.00 0.54 H new ATOM 0 HA ALA A 36 5.220 -2.990 -2.282 1.00 0.48 H new ATOM 0 HB1 ALA A 36 3.380 -4.232 -1.182 1.00 0.47 H new ATOM 0 HB2 ALA A 36 4.831 -4.161 -0.154 1.00 0.47 H new ATOM 0 HB3 ALA A 36 3.443 -3.101 0.190 1.00 0.47 H new ATOM 528 N ARG A 37 3.051 -0.584 -1.767 1.00 0.54 N ATOM 529 CA ARG A 37 2.193 0.359 -2.508 1.00 0.59 C ATOM 530 C ARG A 37 2.959 0.984 -3.679 1.00 0.57 C ATOM 531 O ARG A 37 2.474 0.931 -4.804 1.00 0.58 O ATOM 532 CB ARG A 37 1.621 1.410 -1.544 1.00 0.77 C ATOM 533 CG ARG A 37 0.424 2.156 -2.154 1.00 0.98 C ATOM 534 CD ARG A 37 -0.095 3.248 -1.212 1.00 1.18 C ATOM 535 NE ARG A 37 0.879 4.341 -1.071 1.00 1.83 N ATOM 536 CZ ARG A 37 0.615 5.578 -0.615 1.00 2.30 C ATOM 537 NH1 ARG A 37 -0.614 5.929 -0.205 1.00 2.77 N ATOM 538 NH2 ARG A 37 1.606 6.479 -0.572 1.00 3.18 N ATOM 0 H ARG A 37 3.231 -0.298 -0.804 1.00 0.54 H new ATOM 0 HA ARG A 37 1.350 -0.178 -2.943 1.00 0.59 H new ATOM 0 HB2 ARG A 37 1.312 0.924 -0.619 1.00 0.77 H new ATOM 0 HB3 ARG A 37 2.400 2.126 -1.283 1.00 0.77 H new ATOM 0 HG2 ARG A 37 0.718 2.603 -3.104 1.00 0.98 H new ATOM 0 HG3 ARG A 37 -0.377 1.448 -2.369 1.00 0.98 H new ATOM 0 HD2 ARG A 37 -1.036 3.644 -1.594 1.00 1.18 H new ATOM 0 HD3 ARG A 37 -0.305 2.817 -0.233 1.00 1.18 H new ATOM 0 HE ARG A 37 1.842 4.143 -1.344 1.00 1.83 H new ATOM 0 HH11 ARG A 37 -1.375 5.250 -0.235 1.00 2.77 H new ATOM 0 HH12 ARG A 37 -0.787 6.874 0.137 1.00 2.77 H new ATOM 0 HH21 ARG A 37 2.543 6.222 -0.882 1.00 3.18 H new ATOM 0 HH22 ARG A 37 1.423 7.422 -0.229 1.00 3.18 H new ATOM 552 N ASP A 38 4.183 1.464 -3.446 1.00 0.57 N ATOM 553 CA ASP A 38 5.083 1.992 -4.480 1.00 0.63 C ATOM 554 C ASP A 38 5.313 0.957 -5.589 1.00 0.56 C ATOM 555 O ASP A 38 5.203 1.292 -6.768 1.00 0.61 O ATOM 556 CB ASP A 38 6.462 2.371 -3.902 1.00 0.73 C ATOM 557 CG ASP A 38 6.535 3.673 -3.109 1.00 1.56 C ATOM 558 OD1 ASP A 38 5.502 4.343 -2.903 1.00 2.22 O ATOM 559 OD2 ASP A 38 7.660 4.053 -2.697 1.00 2.55 O ATOM 0 H ASP A 38 4.588 1.498 -2.510 1.00 0.57 H new ATOM 0 HA ASP A 38 4.597 2.881 -4.881 1.00 0.63 H new ATOM 0 HB2 ASP A 38 6.796 1.559 -3.256 1.00 0.73 H new ATOM 0 HB3 ASP A 38 7.172 2.434 -4.727 1.00 0.73 H new ATOM 564 N ALA A 39 5.597 -0.297 -5.213 1.00 0.50 N ATOM 565 CA ALA A 39 5.800 -1.399 -6.146 1.00 0.51 C ATOM 566 C ALA A 39 4.526 -1.705 -6.950 1.00 0.49 C ATOM 567 O ALA A 39 4.582 -1.740 -8.176 1.00 0.67 O ATOM 568 CB ALA A 39 6.308 -2.621 -5.373 1.00 0.54 C ATOM 0 H ALA A 39 5.692 -0.572 -4.236 1.00 0.50 H new ATOM 0 HA ALA A 39 6.553 -1.114 -6.881 1.00 0.51 H new ATOM 0 HB1 ALA A 39 6.462 -3.450 -6.064 1.00 0.54 H new ATOM 0 HB2 ALA A 39 7.251 -2.376 -4.884 1.00 0.54 H new ATOM 0 HB3 ALA A 39 5.573 -2.907 -4.621 1.00 0.54 H new ATOM 574 N CYS A 40 3.368 -1.840 -6.298 1.00 0.35 N ATOM 575 CA CYS A 40 2.102 -2.124 -6.977 1.00 0.30 C ATOM 576 C CYS A 40 1.704 -0.988 -7.944 1.00 0.29 C ATOM 577 O CYS A 40 1.321 -1.252 -9.083 1.00 0.33 O ATOM 578 CB CYS A 40 1.032 -2.414 -5.911 1.00 0.30 C ATOM 579 SG CYS A 40 -0.518 -3.138 -6.523 1.00 0.38 S ATOM 0 H CYS A 40 3.282 -1.755 -5.285 1.00 0.35 H new ATOM 0 HA CYS A 40 2.208 -3.006 -7.608 1.00 0.30 H new ATOM 0 HB2 CYS A 40 1.459 -3.089 -5.170 1.00 0.30 H new ATOM 0 HB3 CYS A 40 0.797 -1.482 -5.396 1.00 0.30 H new ATOM 584 N ILE A 41 1.882 0.280 -7.553 1.00 0.35 N ATOM 585 CA ILE A 41 1.676 1.427 -8.458 1.00 0.46 C ATOM 586 C ILE A 41 2.724 1.471 -9.593 1.00 0.57 C ATOM 587 O ILE A 41 2.375 1.850 -10.715 1.00 0.67 O ATOM 588 CB ILE A 41 1.557 2.748 -7.652 1.00 0.63 C ATOM 589 CG1 ILE A 41 0.124 2.959 -7.105 1.00 0.69 C ATOM 590 CG2 ILE A 41 1.831 3.996 -8.513 1.00 0.88 C ATOM 591 CD1 ILE A 41 -0.441 1.906 -6.151 1.00 0.62 C ATOM 0 H ILE A 41 2.170 0.543 -6.610 1.00 0.35 H new ATOM 0 HA ILE A 41 0.723 1.296 -8.970 1.00 0.46 H new ATOM 0 HB ILE A 41 2.294 2.643 -6.856 1.00 0.63 H new ATOM 0 HG12 ILE A 41 0.100 3.921 -6.593 1.00 0.69 H new ATOM 0 HG13 ILE A 41 -0.551 3.035 -7.957 1.00 0.69 H new ATOM 0 HG21 ILE A 41 1.734 4.891 -7.898 1.00 0.88 H new ATOM 0 HG22 ILE A 41 2.841 3.943 -8.920 1.00 0.88 H new ATOM 0 HG23 ILE A 41 1.112 4.038 -9.331 1.00 0.88 H new ATOM 0 HD11 ILE A 41 -1.451 2.189 -5.853 1.00 0.62 H new ATOM 0 HD12 ILE A 41 -0.469 0.938 -6.652 1.00 0.62 H new ATOM 0 HD13 ILE A 41 0.193 1.839 -5.267 1.00 0.62 H new ATOM 603 N ILE A 42 3.969 1.026 -9.362 1.00 0.62 N ATOM 604 CA ILE A 42 4.993 0.902 -10.428 1.00 0.80 C ATOM 605 C ILE A 42 4.715 -0.268 -11.390 1.00 0.86 C ATOM 606 O ILE A 42 5.072 -0.186 -12.568 1.00 1.13 O ATOM 607 CB ILE A 42 6.414 0.826 -9.808 1.00 0.94 C ATOM 608 CG1 ILE A 42 6.855 2.248 -9.402 1.00 1.03 C ATOM 609 CG2 ILE A 42 7.474 0.224 -10.753 1.00 1.12 C ATOM 610 CD1 ILE A 42 8.022 2.281 -8.405 1.00 1.83 C ATOM 0 H ILE A 42 4.299 0.742 -8.440 1.00 0.62 H new ATOM 0 HA ILE A 42 4.938 1.802 -11.040 1.00 0.80 H new ATOM 0 HB ILE A 42 6.348 0.160 -8.948 1.00 0.94 H new ATOM 0 HG12 ILE A 42 7.141 2.798 -10.298 1.00 1.03 H new ATOM 0 HG13 ILE A 42 6.004 2.770 -8.966 1.00 1.03 H new ATOM 0 HG21 ILE A 42 8.441 0.204 -10.250 1.00 1.12 H new ATOM 0 HG22 ILE A 42 7.185 -0.791 -11.024 1.00 1.12 H new ATOM 0 HG23 ILE A 42 7.547 0.833 -11.654 1.00 1.12 H new ATOM 0 HD11 ILE A 42 8.271 3.316 -8.171 1.00 1.83 H new ATOM 0 HD12 ILE A 42 7.735 1.761 -7.491 1.00 1.83 H new ATOM 0 HD13 ILE A 42 8.890 1.789 -8.844 1.00 1.83 H new ATOM 622 N GLU A 43 4.092 -1.353 -10.934 1.00 0.74 N ATOM 623 CA GLU A 43 3.866 -2.558 -11.745 1.00 0.87 C ATOM 624 C GLU A 43 2.480 -2.623 -12.405 1.00 0.82 C ATOM 625 O GLU A 43 2.375 -3.170 -13.508 1.00 1.07 O ATOM 626 CB GLU A 43 4.138 -3.814 -10.906 1.00 1.06 C ATOM 627 CG GLU A 43 5.611 -3.934 -10.482 1.00 1.69 C ATOM 628 CD GLU A 43 6.127 -5.371 -10.582 1.00 2.20 C ATOM 629 OE1 GLU A 43 5.817 -6.204 -9.694 1.00 2.72 O ATOM 630 OE2 GLU A 43 6.878 -5.676 -11.544 1.00 3.10 O ATOM 0 H GLU A 43 3.725 -1.426 -9.985 1.00 0.74 H new ATOM 0 HA GLU A 43 4.573 -2.507 -12.573 1.00 0.87 H new ATOM 0 HB2 GLU A 43 3.508 -3.796 -10.017 1.00 1.06 H new ATOM 0 HB3 GLU A 43 3.855 -4.697 -11.479 1.00 1.06 H new ATOM 0 HG2 GLU A 43 6.222 -3.286 -11.110 1.00 1.69 H new ATOM 0 HG3 GLU A 43 5.722 -3.581 -9.457 1.00 1.69 H new ATOM 637 N LYS A 44 1.443 -2.061 -11.767 1.00 0.61 N ATOM 638 CA LYS A 44 0.027 -2.176 -12.173 1.00 0.65 C ATOM 639 C LYS A 44 -0.733 -0.843 -12.260 1.00 0.62 C ATOM 640 O LYS A 44 -1.648 -0.708 -13.076 1.00 0.85 O ATOM 641 CB LYS A 44 -0.728 -3.080 -11.181 1.00 0.78 C ATOM 642 CG LYS A 44 -0.033 -4.370 -10.725 1.00 1.11 C ATOM 643 CD LYS A 44 -1.033 -5.214 -9.920 1.00 1.15 C ATOM 644 CE LYS A 44 -0.330 -6.405 -9.269 1.00 1.77 C ATOM 645 NZ LYS A 44 -1.298 -7.349 -8.671 1.00 2.28 N ATOM 0 H LYS A 44 1.566 -1.495 -10.927 1.00 0.61 H new ATOM 0 HA LYS A 44 0.058 -2.594 -13.179 1.00 0.65 H new ATOM 0 HB2 LYS A 44 -0.955 -2.489 -10.294 1.00 0.78 H new ATOM 0 HB3 LYS A 44 -1.681 -3.354 -11.634 1.00 0.78 H new ATOM 0 HG2 LYS A 44 0.325 -4.931 -11.588 1.00 1.11 H new ATOM 0 HG3 LYS A 44 0.838 -4.134 -10.115 1.00 1.11 H new ATOM 0 HD2 LYS A 44 -1.502 -4.598 -9.153 1.00 1.15 H new ATOM 0 HD3 LYS A 44 -1.829 -5.568 -10.575 1.00 1.15 H new ATOM 0 HE2 LYS A 44 0.272 -6.924 -10.014 1.00 1.77 H new ATOM 0 HE3 LYS A 44 0.354 -6.048 -8.499 1.00 1.77 H new ATOM 0 HZ1 LYS A 44 -0.786 -8.144 -8.239 1.00 2.28 H new ATOM 0 HZ2 LYS A 44 -1.856 -6.859 -7.942 1.00 2.28 H new ATOM 0 HZ3 LYS A 44 -1.935 -7.709 -9.411 1.00 2.28 H new ATOM 659 N GLY A 45 -0.383 0.127 -11.413 1.00 0.56 N ATOM 660 CA GLY A 45 -1.136 1.378 -11.223 1.00 0.64 C ATOM 661 C GLY A 45 -2.280 1.266 -10.201 1.00 0.73 C ATOM 662 O GLY A 45 -2.716 0.172 -9.839 1.00 0.87 O ATOM 0 H GLY A 45 0.449 0.068 -10.825 1.00 0.56 H new ATOM 0 HA2 GLY A 45 -0.448 2.159 -10.900 1.00 0.64 H new ATOM 0 HA3 GLY A 45 -1.548 1.692 -12.182 1.00 0.64 H new ATOM 666 N GLU A 46 -2.770 2.409 -9.713 1.00 0.85 N ATOM 667 CA GLU A 46 -3.709 2.499 -8.575 1.00 1.03 C ATOM 668 C GLU A 46 -5.034 1.747 -8.812 1.00 1.06 C ATOM 669 O GLU A 46 -5.596 1.169 -7.879 1.00 1.29 O ATOM 670 CB GLU A 46 -4.025 3.970 -8.258 1.00 1.24 C ATOM 671 CG GLU A 46 -2.795 4.766 -7.810 1.00 1.40 C ATOM 672 CD GLU A 46 -3.129 6.241 -7.594 1.00 1.97 C ATOM 673 OE1 GLU A 46 -3.847 6.580 -6.623 1.00 2.78 O ATOM 674 OE2 GLU A 46 -2.692 7.094 -8.400 1.00 2.85 O ATOM 0 H GLU A 46 -2.524 3.320 -10.101 1.00 0.85 H new ATOM 0 HA GLU A 46 -3.206 2.021 -7.735 1.00 1.03 H new ATOM 0 HB2 GLU A 46 -4.454 4.442 -9.142 1.00 1.24 H new ATOM 0 HB3 GLU A 46 -4.782 4.012 -7.475 1.00 1.24 H new ATOM 0 HG2 GLU A 46 -2.403 4.342 -6.886 1.00 1.40 H new ATOM 0 HG3 GLU A 46 -2.009 4.676 -8.560 1.00 1.40 H new ATOM 681 N GLU A 47 -5.488 1.696 -10.068 1.00 0.94 N ATOM 682 CA GLU A 47 -6.658 0.942 -10.554 1.00 1.12 C ATOM 683 C GLU A 47 -6.654 -0.563 -10.209 1.00 1.02 C ATOM 684 O GLU A 47 -7.700 -1.217 -10.275 1.00 1.58 O ATOM 685 CB GLU A 47 -6.756 1.120 -12.084 1.00 1.49 C ATOM 686 CG GLU A 47 -5.538 0.573 -12.857 1.00 2.60 C ATOM 687 CD GLU A 47 -5.734 0.620 -14.379 1.00 3.70 C ATOM 688 OE1 GLU A 47 -6.725 0.044 -14.896 1.00 4.30 O ATOM 689 OE2 GLU A 47 -4.895 1.252 -15.072 1.00 4.61 O ATOM 0 H GLU A 47 -5.025 2.208 -10.819 1.00 0.94 H new ATOM 0 HA GLU A 47 -7.524 1.353 -10.036 1.00 1.12 H new ATOM 0 HB2 GLU A 47 -7.656 0.619 -12.441 1.00 1.49 H new ATOM 0 HB3 GLU A 47 -6.871 2.180 -12.310 1.00 1.49 H new ATOM 0 HG2 GLU A 47 -4.654 1.152 -12.590 1.00 2.60 H new ATOM 0 HG3 GLU A 47 -5.350 -0.456 -12.550 1.00 2.60 H new ATOM 696 N HIS A 48 -5.494 -1.117 -9.845 1.00 0.79 N ATOM 697 CA HIS A 48 -5.255 -2.537 -9.578 1.00 0.78 C ATOM 698 C HIS A 48 -4.669 -2.803 -8.174 1.00 0.61 C ATOM 699 O HIS A 48 -4.160 -3.897 -7.928 1.00 0.84 O ATOM 700 CB HIS A 48 -4.326 -3.074 -10.678 1.00 0.93 C ATOM 701 CG HIS A 48 -4.915 -3.199 -12.061 1.00 1.29 C ATOM 702 ND1 HIS A 48 -6.246 -3.156 -12.419 1.00 2.17 N ATOM 703 CD2 HIS A 48 -4.209 -3.492 -13.197 1.00 2.56 C ATOM 704 CE1 HIS A 48 -6.338 -3.429 -13.729 1.00 2.15 C ATOM 705 NE2 HIS A 48 -5.119 -3.661 -14.247 1.00 2.37 N ATOM 0 H HIS A 48 -4.651 -0.556 -9.722 1.00 0.79 H new ATOM 0 HA HIS A 48 -6.212 -3.059 -9.591 1.00 0.78 H new ATOM 0 HB2 HIS A 48 -3.455 -2.421 -10.737 1.00 0.93 H new ATOM 0 HB3 HIS A 48 -3.967 -4.056 -10.371 1.00 0.93 H new ATOM 0 HD2 HIS A 48 -3.135 -3.578 -13.270 1.00 2.56 H new ATOM 0 HE1 HIS A 48 -7.261 -3.458 -14.289 1.00 2.15 H new ATOM 0 HE2 HIS A 48 -4.901 -3.910 -15.212 1.00 2.37 H new ATOM 713 N CYS A 49 -4.690 -1.828 -7.256 1.00 0.47 N ATOM 714 CA CYS A 49 -3.975 -1.911 -5.967 1.00 0.43 C ATOM 715 C CYS A 49 -4.845 -1.604 -4.728 1.00 0.43 C ATOM 716 O CYS A 49 -4.311 -1.342 -3.649 1.00 0.41 O ATOM 717 CB CYS A 49 -2.712 -1.040 -6.054 1.00 0.42 C ATOM 718 SG CYS A 49 -1.542 -1.575 -7.337 1.00 0.38 S ATOM 0 H CYS A 49 -5.203 -0.956 -7.383 1.00 0.47 H new ATOM 0 HA CYS A 49 -3.690 -2.951 -5.806 1.00 0.43 H new ATOM 0 HB2 CYS A 49 -3.006 -0.009 -6.250 1.00 0.42 H new ATOM 0 HB3 CYS A 49 -2.207 -1.050 -5.088 1.00 0.42 H new ATOM 723 N GLY A 50 -6.177 -1.651 -4.852 1.00 0.48 N ATOM 724 CA GLY A 50 -7.125 -1.289 -3.785 1.00 0.47 C ATOM 725 C GLY A 50 -6.970 -2.074 -2.473 1.00 0.40 C ATOM 726 O GLY A 50 -7.179 -1.516 -1.394 1.00 0.44 O ATOM 0 H GLY A 50 -6.637 -1.947 -5.713 1.00 0.48 H new ATOM 0 HA2 GLY A 50 -7.014 -0.227 -3.568 1.00 0.47 H new ATOM 0 HA3 GLY A 50 -8.139 -1.434 -4.158 1.00 0.47 H new ATOM 730 N HIS A 51 -6.553 -3.342 -2.519 1.00 0.41 N ATOM 731 CA HIS A 51 -6.323 -4.147 -1.309 1.00 0.45 C ATOM 732 C HIS A 51 -4.971 -3.849 -0.638 1.00 0.41 C ATOM 733 O HIS A 51 -4.877 -3.926 0.592 1.00 0.45 O ATOM 734 CB HIS A 51 -6.482 -5.636 -1.641 1.00 0.69 C ATOM 735 CG HIS A 51 -7.818 -6.000 -2.243 1.00 1.66 C ATOM 736 ND1 HIS A 51 -8.019 -6.958 -3.206 1.00 2.80 N ATOM 737 CD2 HIS A 51 -9.041 -5.446 -1.967 1.00 3.09 C ATOM 738 CE1 HIS A 51 -9.328 -6.995 -3.503 1.00 3.57 C ATOM 739 NE2 HIS A 51 -9.993 -6.065 -2.792 1.00 3.77 N ATOM 0 H HIS A 51 -6.365 -3.840 -3.389 1.00 0.41 H new ATOM 0 HA HIS A 51 -7.078 -3.867 -0.574 1.00 0.45 H new ATOM 0 HB2 HIS A 51 -5.693 -5.928 -2.334 1.00 0.69 H new ATOM 0 HB3 HIS A 51 -6.337 -6.217 -0.730 1.00 0.69 H new ATOM 0 HD2 HIS A 51 -9.238 -4.670 -1.242 1.00 3.09 H new ATOM 0 HE1 HIS A 51 -9.782 -7.673 -4.210 1.00 3.57 H new ATOM 0 HE2 HIS A 51 -10.989 -5.853 -2.843 1.00 3.77 H new ATOM 747 N LEU A 52 -3.957 -3.442 -1.414 1.00 0.46 N ATOM 748 CA LEU A 52 -2.680 -2.925 -0.911 1.00 0.50 C ATOM 749 C LEU A 52 -2.881 -1.558 -0.231 1.00 0.46 C ATOM 750 O LEU A 52 -2.374 -1.307 0.860 1.00 0.49 O ATOM 751 CB LEU A 52 -1.679 -2.834 -2.092 1.00 0.65 C ATOM 752 CG LEU A 52 -0.211 -3.144 -1.746 1.00 0.56 C ATOM 753 CD1 LEU A 52 0.293 -2.329 -0.558 1.00 0.75 C ATOM 754 CD2 LEU A 52 -0.003 -4.631 -1.452 1.00 0.99 C ATOM 0 H LEU A 52 -4.005 -3.464 -2.433 1.00 0.46 H new ATOM 0 HA LEU A 52 -2.275 -3.600 -0.157 1.00 0.50 H new ATOM 0 HB2 LEU A 52 -2.003 -3.522 -2.873 1.00 0.65 H new ATOM 0 HB3 LEU A 52 -1.730 -1.829 -2.512 1.00 0.65 H new ATOM 0 HG LEU A 52 0.365 -2.864 -2.628 1.00 0.56 H new ATOM 0 HD11 LEU A 52 1.333 -2.586 -0.356 1.00 0.75 H new ATOM 0 HD12 LEU A 52 0.220 -1.266 -0.789 1.00 0.75 H new ATOM 0 HD13 LEU A 52 -0.313 -2.552 0.320 1.00 0.75 H new ATOM 0 HD21 LEU A 52 1.045 -4.811 -1.212 1.00 0.99 H new ATOM 0 HD22 LEU A 52 -0.625 -4.925 -0.606 1.00 0.99 H new ATOM 0 HD23 LEU A 52 -0.281 -5.217 -2.328 1.00 0.99 H new ATOM 766 N ILE A 53 -3.689 -0.692 -0.848 1.00 0.46 N ATOM 767 CA ILE A 53 -4.098 0.610 -0.301 1.00 0.52 C ATOM 768 C ILE A 53 -4.886 0.432 1.004 1.00 0.46 C ATOM 769 O ILE A 53 -4.628 1.146 1.973 1.00 0.53 O ATOM 770 CB ILE A 53 -4.887 1.371 -1.384 1.00 0.61 C ATOM 771 CG1 ILE A 53 -3.898 1.825 -2.481 1.00 0.73 C ATOM 772 CG2 ILE A 53 -5.676 2.567 -0.823 1.00 0.75 C ATOM 773 CD1 ILE A 53 -4.614 2.135 -3.791 1.00 0.78 C ATOM 0 H ILE A 53 -4.089 -0.880 -1.767 1.00 0.46 H new ATOM 0 HA ILE A 53 -3.223 1.204 -0.038 1.00 0.52 H new ATOM 0 HB ILE A 53 -5.634 0.696 -1.802 1.00 0.61 H new ATOM 0 HG12 ILE A 53 -3.359 2.710 -2.142 1.00 0.73 H new ATOM 0 HG13 ILE A 53 -3.156 1.044 -2.648 1.00 0.73 H new ATOM 0 HG21 ILE A 53 -6.211 3.063 -1.633 1.00 0.75 H new ATOM 0 HG22 ILE A 53 -6.390 2.215 -0.079 1.00 0.75 H new ATOM 0 HG23 ILE A 53 -4.987 3.272 -0.359 1.00 0.75 H new ATOM 0 HD11 ILE A 53 -3.886 2.451 -4.538 1.00 0.78 H new ATOM 0 HD12 ILE A 53 -5.131 1.242 -4.143 1.00 0.78 H new ATOM 0 HD13 ILE A 53 -5.338 2.934 -3.630 1.00 0.78 H new ATOM 785 N GLU A 54 -5.783 -0.559 1.065 1.00 0.40 N ATOM 786 CA GLU A 54 -6.486 -0.931 2.309 1.00 0.45 C ATOM 787 C GLU A 54 -5.501 -1.376 3.414 1.00 0.41 C ATOM 788 O GLU A 54 -5.574 -0.913 4.555 1.00 0.47 O ATOM 789 CB GLU A 54 -7.532 -2.029 2.038 1.00 0.55 C ATOM 790 CG GLU A 54 -8.489 -2.204 3.225 1.00 0.70 C ATOM 791 CD GLU A 54 -9.376 -3.442 3.068 1.00 1.01 C ATOM 792 OE1 GLU A 54 -10.490 -3.349 2.493 1.00 1.85 O ATOM 793 OE2 GLU A 54 -8.976 -4.523 3.564 1.00 2.21 O ATOM 0 H GLU A 54 -6.045 -1.127 0.259 1.00 0.40 H new ATOM 0 HA GLU A 54 -7.002 -0.041 2.670 1.00 0.45 H new ATOM 0 HB2 GLU A 54 -8.103 -1.776 1.144 1.00 0.55 H new ATOM 0 HB3 GLU A 54 -7.025 -2.973 1.836 1.00 0.55 H new ATOM 0 HG2 GLU A 54 -7.913 -2.285 4.147 1.00 0.70 H new ATOM 0 HG3 GLU A 54 -9.117 -1.318 3.319 1.00 0.70 H new ATOM 800 N ALA A 55 -4.537 -2.231 3.066 1.00 0.36 N ATOM 801 CA ALA A 55 -3.529 -2.732 4.003 1.00 0.39 C ATOM 802 C ALA A 55 -2.622 -1.608 4.551 1.00 0.43 C ATOM 803 O ALA A 55 -2.372 -1.552 5.762 1.00 0.46 O ATOM 804 CB ALA A 55 -2.719 -3.825 3.297 1.00 0.47 C ATOM 0 H ALA A 55 -4.433 -2.598 2.120 1.00 0.36 H new ATOM 0 HA ALA A 55 -4.030 -3.150 4.876 1.00 0.39 H new ATOM 0 HB1 ALA A 55 -1.961 -4.213 3.977 1.00 0.47 H new ATOM 0 HB2 ALA A 55 -3.385 -4.634 2.996 1.00 0.47 H new ATOM 0 HB3 ALA A 55 -2.234 -3.406 2.415 1.00 0.47 H new ATOM 810 N HIS A 56 -2.181 -0.691 3.681 1.00 0.49 N ATOM 811 CA HIS A 56 -1.413 0.505 4.040 1.00 0.57 C ATOM 812 C HIS A 56 -2.203 1.422 4.983 1.00 0.58 C ATOM 813 O HIS A 56 -1.687 1.807 6.033 1.00 0.62 O ATOM 814 CB HIS A 56 -1.002 1.244 2.750 1.00 0.63 C ATOM 815 CG HIS A 56 -0.373 2.605 2.972 1.00 0.96 C ATOM 816 ND1 HIS A 56 -0.894 3.816 2.567 1.00 1.30 N ATOM 817 CD2 HIS A 56 0.811 2.874 3.609 1.00 1.83 C ATOM 818 CE1 HIS A 56 -0.043 4.784 2.947 1.00 2.11 C ATOM 819 NE2 HIS A 56 1.017 4.262 3.587 1.00 2.51 N ATOM 0 H HIS A 56 -2.354 -0.764 2.679 1.00 0.49 H new ATOM 0 HA HIS A 56 -0.517 0.202 4.582 1.00 0.57 H new ATOM 0 HB2 HIS A 56 -0.299 0.620 2.198 1.00 0.63 H new ATOM 0 HB3 HIS A 56 -1.883 1.365 2.120 1.00 0.63 H new ATOM 0 HD2 HIS A 56 1.472 2.143 4.052 1.00 1.83 H new ATOM 0 HE1 HIS A 56 -0.191 5.838 2.763 1.00 2.11 H new ATOM 0 HE2 HIS A 56 1.810 4.771 3.977 1.00 2.51 H new ATOM 827 N LYS A 57 -3.469 1.738 4.673 1.00 0.58 N ATOM 828 CA LYS A 57 -4.250 2.663 5.510 1.00 0.67 C ATOM 829 C LYS A 57 -4.624 2.082 6.869 1.00 0.62 C ATOM 830 O LYS A 57 -4.595 2.811 7.852 1.00 0.69 O ATOM 831 CB LYS A 57 -5.445 3.236 4.743 1.00 0.77 C ATOM 832 CG LYS A 57 -6.590 2.247 4.493 1.00 0.71 C ATOM 833 CD LYS A 57 -7.746 2.860 3.692 1.00 1.05 C ATOM 834 CE LYS A 57 -7.269 3.428 2.350 1.00 2.22 C ATOM 835 NZ LYS A 57 -8.395 3.964 1.559 1.00 2.31 N ATOM 0 H LYS A 57 -3.969 1.374 3.862 1.00 0.58 H new ATOM 0 HA LYS A 57 -3.596 3.502 5.745 1.00 0.67 H new ATOM 0 HB2 LYS A 57 -5.837 4.090 5.296 1.00 0.77 H new ATOM 0 HB3 LYS A 57 -5.094 3.612 3.782 1.00 0.77 H new ATOM 0 HG2 LYS A 57 -6.204 1.380 3.957 1.00 0.71 H new ATOM 0 HG3 LYS A 57 -6.968 1.888 5.450 1.00 0.71 H new ATOM 0 HD2 LYS A 57 -8.509 2.101 3.515 1.00 1.05 H new ATOM 0 HD3 LYS A 57 -8.214 3.652 4.277 1.00 1.05 H new ATOM 0 HE2 LYS A 57 -6.539 4.218 2.527 1.00 2.22 H new ATOM 0 HE3 LYS A 57 -6.763 2.647 1.782 1.00 2.22 H new ATOM 0 HZ1 LYS A 57 -8.038 4.340 0.658 1.00 2.31 H new ATOM 0 HZ2 LYS A 57 -9.079 3.204 1.370 1.00 2.31 H new ATOM 0 HZ3 LYS A 57 -8.862 4.726 2.091 1.00 2.31 H new ATOM 849 N GLU A 58 -4.884 0.779 6.961 1.00 0.56 N ATOM 850 CA GLU A 58 -5.065 0.110 8.265 1.00 0.63 C ATOM 851 C GLU A 58 -3.750 0.021 9.068 1.00 0.61 C ATOM 852 O GLU A 58 -3.754 0.208 10.292 1.00 0.71 O ATOM 853 CB GLU A 58 -5.713 -1.271 8.083 1.00 0.76 C ATOM 854 CG GLU A 58 -7.184 -1.133 7.650 1.00 0.90 C ATOM 855 CD GLU A 58 -7.937 -2.468 7.547 1.00 1.16 C ATOM 856 OE1 GLU A 58 -7.366 -3.555 7.824 1.00 2.19 O ATOM 857 OE2 GLU A 58 -9.145 -2.447 7.214 1.00 1.89 O ATOM 0 H GLU A 58 -4.975 0.160 6.155 1.00 0.56 H new ATOM 0 HA GLU A 58 -5.743 0.727 8.855 1.00 0.63 H new ATOM 0 HB2 GLU A 58 -5.161 -1.841 7.335 1.00 0.76 H new ATOM 0 HB3 GLU A 58 -5.655 -1.831 9.017 1.00 0.76 H new ATOM 0 HG2 GLU A 58 -7.702 -0.490 8.362 1.00 0.90 H new ATOM 0 HG3 GLU A 58 -7.221 -0.632 6.683 1.00 0.90 H new ATOM 864 N SER A 59 -2.605 -0.167 8.396 1.00 0.57 N ATOM 865 CA SER A 59 -1.287 -0.063 9.040 1.00 0.65 C ATOM 866 C SER A 59 -1.069 1.340 9.625 1.00 0.70 C ATOM 867 O SER A 59 -0.825 1.472 10.820 1.00 0.83 O ATOM 868 CB SER A 59 -0.168 -0.453 8.067 1.00 0.75 C ATOM 869 OG SER A 59 1.059 -0.582 8.759 1.00 1.64 O ATOM 0 H SER A 59 -2.565 -0.393 7.402 1.00 0.57 H new ATOM 0 HA SER A 59 -1.258 -0.769 9.870 1.00 0.65 H new ATOM 0 HB2 SER A 59 -0.416 -1.393 7.574 1.00 0.75 H new ATOM 0 HB3 SER A 59 -0.076 0.302 7.286 1.00 0.75 H new ATOM 0 HG SER A 59 1.790 -0.674 8.113 1.00 1.64 H new ATOM 875 N MET A 60 -1.271 2.408 8.847 1.00 0.75 N ATOM 876 CA MET A 60 -1.069 3.786 9.324 1.00 0.93 C ATOM 877 C MET A 60 -2.214 4.300 10.227 1.00 0.98 C ATOM 878 O MET A 60 -2.001 5.227 11.012 1.00 1.16 O ATOM 879 CB MET A 60 -0.752 4.718 8.140 1.00 1.13 C ATOM 880 CG MET A 60 0.702 4.616 7.645 1.00 1.58 C ATOM 881 SD MET A 60 1.282 2.983 7.096 1.00 2.31 S ATOM 882 CE MET A 60 2.970 3.370 6.561 1.00 2.21 C ATOM 0 H MET A 60 -1.577 2.347 7.876 1.00 0.75 H new ATOM 0 HA MET A 60 -0.200 3.784 9.982 1.00 0.93 H new ATOM 0 HB2 MET A 60 -1.425 4.484 7.315 1.00 1.13 H new ATOM 0 HB3 MET A 60 -0.955 5.748 8.435 1.00 1.13 H new ATOM 0 HG2 MET A 60 0.826 5.314 6.817 1.00 1.58 H new ATOM 0 HG3 MET A 60 1.357 4.954 8.448 1.00 1.58 H new ATOM 0 HE1 MET A 60 3.453 2.463 6.197 1.00 2.21 H new ATOM 0 HE2 MET A 60 2.938 4.110 5.761 1.00 2.21 H new ATOM 0 HE3 MET A 60 3.536 3.770 7.402 1.00 2.21 H new ATOM 892 N ARG A 61 -3.396 3.661 10.232 1.00 0.91 N ATOM 893 CA ARG A 61 -4.421 3.836 11.283 1.00 1.02 C ATOM 894 C ARG A 61 -3.975 3.229 12.611 1.00 1.00 C ATOM 895 O ARG A 61 -4.253 3.818 13.654 1.00 1.12 O ATOM 896 CB ARG A 61 -5.756 3.248 10.798 1.00 1.03 C ATOM 897 CG ARG A 61 -6.912 3.352 11.813 1.00 1.17 C ATOM 898 CD ARG A 61 -7.072 2.107 12.699 1.00 1.75 C ATOM 899 NE ARG A 61 -7.556 0.952 11.924 1.00 2.11 N ATOM 900 CZ ARG A 61 -7.073 -0.303 11.970 1.00 3.54 C ATOM 901 NH1 ARG A 61 -6.039 -0.642 12.755 1.00 4.56 N ATOM 902 NH2 ARG A 61 -7.649 -1.245 11.210 1.00 4.41 N ATOM 0 H ARG A 61 -3.672 3.003 9.503 1.00 0.91 H new ATOM 0 HA ARG A 61 -4.560 4.901 11.469 1.00 1.02 H new ATOM 0 HB2 ARG A 61 -6.050 3.757 9.880 1.00 1.03 H new ATOM 0 HB3 ARG A 61 -5.605 2.198 10.546 1.00 1.03 H new ATOM 0 HG2 ARG A 61 -6.747 4.221 12.450 1.00 1.17 H new ATOM 0 HG3 ARG A 61 -7.843 3.525 11.273 1.00 1.17 H new ATOM 0 HD2 ARG A 61 -6.115 1.862 13.160 1.00 1.75 H new ATOM 0 HD3 ARG A 61 -7.770 2.322 13.508 1.00 1.75 H new ATOM 0 HE ARG A 61 -8.336 1.120 11.288 1.00 2.11 H new ATOM 0 HH11 ARG A 61 -5.593 0.062 13.343 1.00 4.56 H new ATOM 0 HH12 ARG A 61 -5.699 -1.604 12.764 1.00 4.56 H new ATOM 0 HH21 ARG A 61 -8.439 -1.004 10.611 1.00 4.41 H new ATOM 0 HH22 ARG A 61 -7.298 -2.202 11.231 1.00 4.41 H new ATOM 916 N ALA A 62 -3.219 2.131 12.588 1.00 0.88 N ATOM 917 CA ALA A 62 -2.516 1.632 13.776 1.00 0.93 C ATOM 918 C ALA A 62 -1.300 2.489 14.215 1.00 1.05 C ATOM 919 O ALA A 62 -0.778 2.275 15.313 1.00 1.20 O ATOM 920 CB ALA A 62 -2.160 0.156 13.576 1.00 0.85 C ATOM 0 H ALA A 62 -3.076 1.564 11.752 1.00 0.88 H new ATOM 0 HA ALA A 62 -3.204 1.723 14.617 1.00 0.93 H new ATOM 0 HB1 ALA A 62 -1.638 -0.215 14.458 1.00 0.85 H new ATOM 0 HB2 ALA A 62 -3.072 -0.421 13.425 1.00 0.85 H new ATOM 0 HB3 ALA A 62 -1.516 0.052 12.703 1.00 0.85 H new ATOM 926 N LEU A 63 -0.878 3.499 13.433 1.00 1.10 N ATOM 927 CA LEU A 63 0.000 4.586 13.919 1.00 1.31 C ATOM 928 C LEU A 63 -0.797 5.774 14.495 1.00 1.46 C ATOM 929 O LEU A 63 -0.234 6.648 15.162 1.00 1.68 O ATOM 930 CB LEU A 63 0.928 5.069 12.786 1.00 1.39 C ATOM 931 CG LEU A 63 2.215 4.264 12.541 1.00 1.47 C ATOM 932 CD1 LEU A 63 3.203 4.404 13.696 1.00 1.97 C ATOM 933 CD2 LEU A 63 1.944 2.785 12.294 1.00 1.18 C ATOM 0 H LEU A 63 -1.133 3.587 12.449 1.00 1.10 H new ATOM 0 HA LEU A 63 0.599 4.175 14.732 1.00 1.31 H new ATOM 0 HB2 LEU A 63 0.354 5.078 11.860 1.00 1.39 H new ATOM 0 HB3 LEU A 63 1.210 6.101 12.997 1.00 1.39 H new ATOM 0 HG LEU A 63 2.655 4.689 11.639 1.00 1.47 H new ATOM 0 HD11 LEU A 63 4.098 3.820 13.482 1.00 1.97 H new ATOM 0 HD12 LEU A 63 3.475 5.453 13.817 1.00 1.97 H new ATOM 0 HD13 LEU A 63 2.743 4.040 14.615 1.00 1.97 H new ATOM 0 HD21 LEU A 63 2.887 2.265 12.127 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.442 2.357 13.162 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.308 2.673 11.416 1.00 1.18 H new ATOM 945 N GLY A 64 -2.105 5.818 14.232 1.00 1.42 N ATOM 946 CA GLY A 64 -3.003 6.900 14.620 1.00 1.66 C ATOM 947 C GLY A 64 -2.852 8.178 13.792 1.00 1.84 C ATOM 948 O GLY A 64 -3.146 9.256 14.311 1.00 2.18 O ATOM 0 H GLY A 64 -2.582 5.073 13.725 1.00 1.42 H new ATOM 0 HA2 GLY A 64 -4.032 6.549 14.538 1.00 1.66 H new ATOM 0 HA3 GLY A 64 -2.831 7.140 15.669 1.00 1.66 H new ATOM 952 N PHE A 65 -2.330 8.104 12.561 1.00 1.78 N ATOM 953 CA PHE A 65 -2.121 9.285 11.706 1.00 2.00 C ATOM 954 C PHE A 65 -2.541 9.105 10.239 1.00 1.98 C ATOM 955 O PHE A 65 -1.797 9.441 9.315 1.00 2.28 O ATOM 956 CB PHE A 65 -0.711 9.868 11.916 1.00 2.10 C ATOM 957 CG PHE A 65 0.530 8.979 11.835 1.00 1.93 C ATOM 958 CD1 PHE A 65 0.812 8.177 10.707 1.00 2.33 C ATOM 959 CD2 PHE A 65 1.498 9.078 12.855 1.00 2.38 C ATOM 960 CE1 PHE A 65 2.048 7.515 10.591 1.00 2.24 C ATOM 961 CE2 PHE A 65 2.732 8.413 12.744 1.00 2.49 C ATOM 962 CZ PHE A 65 3.013 7.640 11.604 1.00 1.98 C ATOM 0 H PHE A 65 -2.040 7.227 12.128 1.00 1.78 H new ATOM 0 HA PHE A 65 -2.826 10.046 12.041 1.00 2.00 H new ATOM 0 HB2 PHE A 65 -0.582 10.663 11.182 1.00 2.10 H new ATOM 0 HB3 PHE A 65 -0.703 10.338 12.900 1.00 2.10 H new ATOM 0 HD1 PHE A 65 0.073 8.071 9.927 1.00 2.33 H new ATOM 0 HD2 PHE A 65 1.289 9.672 13.733 1.00 2.38 H new ATOM 0 HE1 PHE A 65 2.255 6.909 9.721 1.00 2.24 H new ATOM 0 HE2 PHE A 65 3.464 8.496 13.534 1.00 2.49 H new ATOM 0 HZ PHE A 65 3.967 7.144 11.507 1.00 1.98 H new ATOM 972 N LYS A 66 -3.745 8.567 10.010 1.00 1.78 N ATOM 973 CA LYS A 66 -4.255 8.313 8.647 1.00 1.75 C ATOM 974 C LYS A 66 -5.746 8.614 8.455 1.00 1.92 C ATOM 975 O LYS A 66 -6.092 9.322 7.509 1.00 2.32 O ATOM 976 CB LYS A 66 -3.855 6.876 8.273 1.00 1.53 C ATOM 977 CG LYS A 66 -4.306 6.386 6.885 1.00 1.59 C ATOM 978 CD LYS A 66 -3.650 7.098 5.684 1.00 1.84 C ATOM 979 CE LYS A 66 -4.366 8.384 5.243 1.00 1.94 C ATOM 980 NZ LYS A 66 -3.678 9.030 4.104 1.00 2.23 N ATOM 0 H LYS A 66 -4.391 8.296 10.752 1.00 1.78 H new ATOM 0 HA LYS A 66 -3.797 9.020 7.955 1.00 1.75 H new ATOM 0 HB2 LYS A 66 -2.769 6.797 8.329 1.00 1.53 H new ATOM 0 HB3 LYS A 66 -4.263 6.200 9.025 1.00 1.53 H new ATOM 0 HG2 LYS A 66 -4.098 5.319 6.810 1.00 1.59 H new ATOM 0 HG3 LYS A 66 -5.387 6.506 6.810 1.00 1.59 H new ATOM 0 HD2 LYS A 66 -2.618 7.340 5.939 1.00 1.84 H new ATOM 0 HD3 LYS A 66 -3.616 6.408 4.841 1.00 1.84 H new ATOM 0 HE2 LYS A 66 -5.393 8.151 4.963 1.00 1.94 H new ATOM 0 HE3 LYS A 66 -4.414 9.079 6.081 1.00 1.94 H new ATOM 0 HZ1 LYS A 66 -4.190 9.894 3.834 1.00 2.23 H new ATOM 0 HZ2 LYS A 66 -2.706 9.275 4.380 1.00 2.23 H new ATOM 0 HZ3 LYS A 66 -3.654 8.375 3.296 1.00 2.23 H new ATOM 994 N ILE A 67 -6.615 8.099 9.324 1.00 1.91 N ATOM 995 CA ILE A 67 -8.092 8.246 9.285 1.00 2.10 C ATOM 996 C ILE A 67 -8.677 8.547 10.668 1.00 2.32 C ATOM 997 O ILE A 67 -9.914 8.459 10.842 1.00 2.92 O ATOM 998 CB ILE A 67 -8.756 7.026 8.589 1.00 2.08 C ATOM 999 CG1 ILE A 67 -8.163 5.684 9.077 1.00 1.82 C ATOM 1000 CG2 ILE A 67 -8.633 7.182 7.064 1.00 2.39 C ATOM 1001 CD1 ILE A 67 -8.932 4.442 8.610 1.00 1.89 C ATOM 1002 OXT ILE A 67 -7.881 8.915 11.563 1.00 2.96 O ATOM 0 H ILE A 67 -6.306 7.538 10.118 1.00 1.91 H new ATOM 0 HA ILE A 67 -8.327 9.118 8.675 1.00 2.10 H new ATOM 0 HB ILE A 67 -9.812 7.004 8.859 1.00 2.08 H new ATOM 0 HG12 ILE A 67 -7.132 5.609 8.730 1.00 1.82 H new ATOM 0 HG13 ILE A 67 -8.133 5.689 10.167 1.00 1.82 H new ATOM 0 HG21 ILE A 67 -9.098 6.328 6.572 1.00 2.39 H new ATOM 0 HG22 ILE A 67 -9.134 8.098 6.750 1.00 2.39 H new ATOM 0 HG23 ILE A 67 -7.580 7.231 6.787 1.00 2.39 H new ATOM 0 HD11 ILE A 67 -8.447 3.546 8.998 1.00 1.89 H new ATOM 0 HD12 ILE A 67 -9.957 4.488 8.979 1.00 1.89 H new ATOM 0 HD13 ILE A 67 -8.940 4.407 7.521 1.00 1.89 H new TER 1014 ILE A 67