USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 536 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 CYS SG : rot -170:sc= 0 USER MOD Set 1.2: A 20 CYS SG : rot 180:sc= 0.362 USER MOD Set 2.1: A 11 GLN : amide:sc= -0.524 X(o=0.25,f=0.35) USER MOD Set 2.2: A 45 THR OG1 : rot 56:sc= 0.778 USER MOD Single : A 3 SER OG : rot 30:sc= 0.505 USER MOD Single : A 5 GLN : amide:sc= -1.05 K(o=-1.1,f=-5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -164:sc=-0.00596 (180deg=-0.205) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -73:sc= 0.522 USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0015) USER MOD Single : A 29 LYS NZ :NH3+ 140:sc= 2.18 (180deg=1.09) USER MOD Single : A 31 MET CE :methyl 152:sc= -1.93 (180deg=-4.78!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.077) USER MOD Single : A 40 ASN : amide:sc= -0.122 K(o=-0.12,f=-2.5) USER MOD Single : A 43 THR OG1 : rot -38:sc= 0.931 USER MOD Single : A 47 ASN : amide:sc= 0.731 K(o=0.73,f=0) USER MOD Single : A 50 TYR OH : rot -15:sc= -0.0264 USER MOD Single : A 55 THR OG1 : rot 11:sc= 0.18 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= 1.26 (180deg=0.434) USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= 1.19 (180deg=0.307) USER MOD Single : A 69 TYR OH : rot 30:sc= -0.0106 USER MOD Single : A 70 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 39 N SER A 3 0.264 15.227 13.471 1.00 0.66 N ATOM 40 CA SER A 3 0.260 14.016 12.673 1.00 0.50 C ATOM 41 C SER A 3 1.677 13.768 12.153 1.00 0.48 C ATOM 42 O SER A 3 2.099 14.400 11.185 1.00 0.74 O ATOM 43 CB SER A 3 -0.746 14.174 11.524 1.00 0.57 C ATOM 44 OG SER A 3 -1.895 14.853 12.003 1.00 0.85 O ATOM 0 HA SER A 3 -0.044 13.156 13.270 1.00 0.50 H new ATOM 0 HB2 SER A 3 -0.295 14.731 10.703 1.00 0.57 H new ATOM 0 HB3 SER A 3 -1.024 13.196 11.130 1.00 0.57 H new ATOM 0 HG SER A 3 -1.638 15.460 12.728 1.00 0.85 H new ATOM 50 N GLU A 4 2.424 12.878 12.809 1.00 0.45 N ATOM 51 CA GLU A 4 3.723 12.459 12.319 1.00 0.42 C ATOM 52 C GLU A 4 3.535 11.613 11.062 1.00 0.43 C ATOM 53 O GLU A 4 2.405 11.333 10.668 1.00 0.59 O ATOM 54 CB GLU A 4 4.479 11.711 13.418 1.00 0.53 C ATOM 55 CG GLU A 4 5.398 12.616 14.217 1.00 0.72 C ATOM 56 CD GLU A 4 6.288 11.814 15.157 1.00 1.09 C ATOM 57 OE1 GLU A 4 5.811 11.520 16.273 1.00 1.72 O ATOM 58 OE2 GLU A 4 7.416 11.493 14.725 1.00 2.30 O ATOM 0 H GLU A 4 2.143 12.436 13.684 1.00 0.45 H new ATOM 0 HA GLU A 4 4.326 13.326 12.051 1.00 0.42 H new ATOM 0 HB2 GLU A 4 3.762 11.242 14.092 1.00 0.53 H new ATOM 0 HB3 GLU A 4 5.066 10.910 12.969 1.00 0.53 H new ATOM 0 HG2 GLU A 4 6.018 13.200 13.537 1.00 0.72 H new ATOM 0 HG3 GLU A 4 4.803 13.324 14.793 1.00 0.72 H new ATOM 65 N GLN A 5 4.637 11.200 10.436 1.00 0.40 N ATOM 66 CA GLN A 5 4.638 10.328 9.274 1.00 0.39 C ATOM 67 C GLN A 5 5.588 9.166 9.544 1.00 0.41 C ATOM 68 O GLN A 5 6.512 9.306 10.344 1.00 0.59 O ATOM 69 CB GLN A 5 5.100 11.113 8.041 1.00 0.45 C ATOM 70 CG GLN A 5 4.096 12.201 7.635 1.00 0.50 C ATOM 71 CD GLN A 5 3.044 11.744 6.627 1.00 0.45 C ATOM 72 OE1 GLN A 5 2.482 12.574 5.926 1.00 0.92 O ATOM 73 NE2 GLN A 5 2.773 10.447 6.503 1.00 0.53 N ATOM 0 H GLN A 5 5.574 11.472 10.734 1.00 0.40 H new ATOM 0 HA GLN A 5 3.634 9.947 9.086 1.00 0.39 H new ATOM 0 HB2 GLN A 5 6.067 11.572 8.246 1.00 0.45 H new ATOM 0 HB3 GLN A 5 5.244 10.425 7.208 1.00 0.45 H new ATOM 0 HG2 GLN A 5 3.591 12.564 8.530 1.00 0.50 H new ATOM 0 HG3 GLN A 5 4.643 13.044 7.214 1.00 0.50 H new ATOM 0 HE21 GLN A 5 3.250 9.767 7.095 1.00 0.53 H new ATOM 0 HE22 GLN A 5 2.088 10.133 5.816 1.00 0.53 H new ATOM 82 N LYS A 6 5.368 8.033 8.879 1.00 0.35 N ATOM 83 CA LYS A 6 6.298 6.929 8.828 1.00 0.37 C ATOM 84 C LYS A 6 6.152 6.261 7.464 1.00 0.31 C ATOM 85 O LYS A 6 5.117 6.396 6.804 1.00 0.29 O ATOM 86 CB LYS A 6 6.021 5.991 10.004 1.00 0.45 C ATOM 87 CG LYS A 6 6.829 4.693 9.981 1.00 2.41 C ATOM 88 CD LYS A 6 6.842 4.048 11.373 1.00 2.35 C ATOM 89 CE LYS A 6 8.123 4.467 12.113 1.00 2.51 C ATOM 90 NZ LYS A 6 8.055 4.196 13.563 1.00 3.07 N ATOM 0 H LYS A 6 4.513 7.863 8.350 1.00 0.35 H new ATOM 0 HA LYS A 6 7.334 7.252 8.929 1.00 0.37 H new ATOM 0 HB2 LYS A 6 6.233 6.520 10.933 1.00 0.45 H new ATOM 0 HB3 LYS A 6 4.959 5.744 10.013 1.00 0.45 H new ATOM 0 HG2 LYS A 6 6.398 4.002 9.257 1.00 2.41 H new ATOM 0 HG3 LYS A 6 7.850 4.898 9.658 1.00 2.41 H new ATOM 0 HD2 LYS A 6 5.963 4.358 11.939 1.00 2.35 H new ATOM 0 HD3 LYS A 6 6.798 2.963 11.284 1.00 2.35 H new ATOM 0 HE2 LYS A 6 8.974 3.936 11.687 1.00 2.51 H new ATOM 0 HE3 LYS A 6 8.299 5.531 11.954 1.00 2.51 H new ATOM 0 HZ1 LYS A 6 8.942 4.497 14.014 1.00 3.07 H new ATOM 0 HZ2 LYS A 6 7.260 4.723 13.978 1.00 3.07 H new ATOM 0 HZ3 LYS A 6 7.915 3.177 13.720 1.00 3.07 H new ATOM 104 N GLU A 7 7.200 5.535 7.082 1.00 0.38 N ATOM 105 CA GLU A 7 7.388 4.847 5.826 1.00 0.36 C ATOM 106 C GLU A 7 7.530 3.386 6.206 1.00 0.39 C ATOM 107 O GLU A 7 8.588 2.951 6.659 1.00 0.60 O ATOM 108 CB GLU A 7 8.655 5.329 5.092 1.00 0.40 C ATOM 109 CG GLU A 7 8.988 6.816 5.281 1.00 0.48 C ATOM 110 CD GLU A 7 9.666 7.087 6.620 1.00 0.60 C ATOM 111 OE1 GLU A 7 10.704 6.441 6.876 1.00 1.53 O ATOM 112 OE2 GLU A 7 9.109 7.902 7.383 1.00 1.91 O ATOM 0 H GLU A 7 8.001 5.408 7.701 1.00 0.38 H new ATOM 0 HA GLU A 7 6.557 5.032 5.145 1.00 0.36 H new ATOM 0 HB2 GLU A 7 9.503 4.736 5.434 1.00 0.40 H new ATOM 0 HB3 GLU A 7 8.537 5.131 4.027 1.00 0.40 H new ATOM 0 HG2 GLU A 7 9.639 7.147 4.472 1.00 0.48 H new ATOM 0 HG3 GLU A 7 8.072 7.403 5.213 1.00 0.48 H new ATOM 119 N ILE A 8 6.456 2.621 6.090 1.00 0.35 N ATOM 120 CA ILE A 8 6.541 1.204 6.304 1.00 0.36 C ATOM 121 C ILE A 8 7.001 0.582 4.981 1.00 0.28 C ATOM 122 O ILE A 8 6.974 1.243 3.940 1.00 0.26 O ATOM 123 CB ILE A 8 5.183 0.735 6.813 1.00 0.46 C ATOM 124 CG1 ILE A 8 4.625 1.493 8.021 1.00 1.26 C ATOM 125 CG2 ILE A 8 5.195 -0.755 7.061 1.00 0.99 C ATOM 126 CD1 ILE A 8 5.451 1.202 9.254 1.00 2.43 C ATOM 0 H ILE A 8 5.526 2.964 5.850 1.00 0.35 H new ATOM 0 HA ILE A 8 7.265 0.899 7.060 1.00 0.36 H new ATOM 0 HB ILE A 8 4.488 0.974 6.008 1.00 0.46 H new ATOM 0 HG12 ILE A 8 4.627 2.564 7.819 1.00 1.26 H new ATOM 0 HG13 ILE A 8 3.588 1.203 8.193 1.00 1.26 H new ATOM 0 HG21 ILE A 8 4.217 -1.071 7.424 1.00 0.99 H new ATOM 0 HG22 ILE A 8 5.423 -1.277 6.132 1.00 0.99 H new ATOM 0 HG23 ILE A 8 5.953 -0.994 7.807 1.00 0.99 H new ATOM 0 HD11 ILE A 8 5.041 1.748 10.104 1.00 2.43 H new ATOM 0 HD12 ILE A 8 5.427 0.133 9.464 1.00 2.43 H new ATOM 0 HD13 ILE A 8 6.481 1.515 9.084 1.00 2.43 H new ATOM 138 N ALA A 9 7.455 -0.670 5.029 1.00 0.29 N ATOM 139 CA ALA A 9 7.877 -1.456 3.879 1.00 0.28 C ATOM 140 C ALA A 9 7.247 -2.836 4.025 1.00 0.34 C ATOM 141 O ALA A 9 7.400 -3.448 5.081 1.00 0.49 O ATOM 142 CB ALA A 9 9.405 -1.552 3.839 1.00 0.31 C ATOM 0 H ALA A 9 7.541 -1.181 5.907 1.00 0.29 H new ATOM 0 HA ALA A 9 7.558 -0.991 2.946 1.00 0.28 H new ATOM 0 HB1 ALA A 9 9.710 -2.142 2.975 1.00 0.31 H new ATOM 0 HB2 ALA A 9 9.831 -0.551 3.764 1.00 0.31 H new ATOM 0 HB3 ALA A 9 9.763 -2.031 4.750 1.00 0.31 H new ATOM 148 N MET A 10 6.499 -3.305 3.024 1.00 0.31 N ATOM 149 CA MET A 10 5.829 -4.604 3.054 1.00 0.38 C ATOM 150 C MET A 10 6.058 -5.317 1.718 1.00 0.27 C ATOM 151 O MET A 10 6.602 -4.722 0.789 1.00 0.23 O ATOM 152 CB MET A 10 4.330 -4.431 3.339 1.00 0.61 C ATOM 153 CG MET A 10 4.010 -3.751 4.676 1.00 1.17 C ATOM 154 SD MET A 10 2.426 -2.872 4.751 1.00 1.59 S ATOM 155 CE MET A 10 2.764 -1.475 3.648 1.00 2.08 C ATOM 0 H MET A 10 6.341 -2.786 2.160 1.00 0.31 H new ATOM 0 HA MET A 10 6.247 -5.212 3.856 1.00 0.38 H new ATOM 0 HB2 MET A 10 3.885 -3.847 2.533 1.00 0.61 H new ATOM 0 HB3 MET A 10 3.854 -5.412 3.322 1.00 0.61 H new ATOM 0 HG2 MET A 10 4.022 -4.508 5.460 1.00 1.17 H new ATOM 0 HG3 MET A 10 4.808 -3.044 4.903 1.00 1.17 H new ATOM 0 HE1 MET A 10 2.013 -0.700 3.802 1.00 2.08 H new ATOM 0 HE2 MET A 10 3.753 -1.071 3.865 1.00 2.08 H new ATOM 0 HE3 MET A 10 2.730 -1.813 2.612 1.00 2.08 H new ATOM 165 N GLN A 11 5.637 -6.581 1.627 1.00 0.33 N ATOM 166 CA GLN A 11 5.725 -7.417 0.435 1.00 0.29 C ATOM 167 C GLN A 11 4.349 -7.504 -0.224 1.00 0.30 C ATOM 168 O GLN A 11 3.352 -7.363 0.469 1.00 0.41 O ATOM 169 CB GLN A 11 6.205 -8.816 0.870 1.00 0.32 C ATOM 170 CG GLN A 11 7.731 -8.889 1.021 1.00 0.68 C ATOM 171 CD GLN A 11 8.395 -8.494 -0.288 1.00 1.20 C ATOM 172 OE1 GLN A 11 9.233 -7.600 -0.324 1.00 2.45 O ATOM 173 NE2 GLN A 11 7.928 -9.083 -1.382 1.00 0.79 N ATOM 0 H GLN A 11 5.209 -7.066 2.415 1.00 0.33 H new ATOM 0 HA GLN A 11 6.425 -6.995 -0.286 1.00 0.29 H new ATOM 0 HB2 GLN A 11 5.736 -9.080 1.818 1.00 0.32 H new ATOM 0 HB3 GLN A 11 5.879 -9.554 0.136 1.00 0.32 H new ATOM 0 HG2 GLN A 11 8.059 -8.225 1.821 1.00 0.68 H new ATOM 0 HG3 GLN A 11 8.030 -9.899 1.302 1.00 0.68 H new ATOM 0 HE21 GLN A 11 7.231 -9.823 -1.305 1.00 0.79 H new ATOM 0 HE22 GLN A 11 8.267 -8.795 -2.300 1.00 0.79 H new ATOM 182 N VAL A 12 4.264 -7.758 -1.533 1.00 0.34 N ATOM 183 CA VAL A 12 2.997 -7.980 -2.230 1.00 0.44 C ATOM 184 C VAL A 12 2.956 -9.387 -2.827 1.00 0.42 C ATOM 185 O VAL A 12 3.992 -10.040 -2.942 1.00 0.46 O ATOM 186 CB VAL A 12 2.784 -6.922 -3.322 1.00 0.67 C ATOM 187 CG1 VAL A 12 2.408 -5.561 -2.729 1.00 1.73 C ATOM 188 CG2 VAL A 12 4.019 -6.765 -4.210 1.00 1.73 C ATOM 0 H VAL A 12 5.080 -7.815 -2.142 1.00 0.34 H new ATOM 0 HA VAL A 12 2.187 -7.888 -1.507 1.00 0.44 H new ATOM 0 HB VAL A 12 1.956 -7.279 -3.934 1.00 0.67 H new ATOM 0 HG11 VAL A 12 2.266 -4.840 -3.534 1.00 1.73 H new ATOM 0 HG12 VAL A 12 1.484 -5.655 -2.159 1.00 1.73 H new ATOM 0 HG13 VAL A 12 3.206 -5.218 -2.071 1.00 1.73 H new ATOM 0 HG21 VAL A 12 3.827 -6.007 -4.970 1.00 1.73 H new ATOM 0 HG22 VAL A 12 4.869 -6.460 -3.600 1.00 1.73 H new ATOM 0 HG23 VAL A 12 4.242 -7.716 -4.694 1.00 1.73 H new ATOM 198 N SER A 13 1.755 -9.824 -3.222 1.00 0.58 N ATOM 199 CA SER A 13 1.501 -11.092 -3.894 1.00 0.71 C ATOM 200 C SER A 13 0.494 -10.861 -5.026 1.00 1.05 C ATOM 201 O SER A 13 -0.076 -9.776 -5.136 1.00 1.22 O ATOM 202 CB SER A 13 0.959 -12.098 -2.873 1.00 0.70 C ATOM 203 OG SER A 13 1.904 -12.297 -1.840 1.00 0.89 O ATOM 0 H SER A 13 0.905 -9.280 -3.074 1.00 0.58 H new ATOM 0 HA SER A 13 2.420 -11.492 -4.321 1.00 0.71 H new ATOM 0 HB2 SER A 13 0.021 -11.733 -2.454 1.00 0.70 H new ATOM 0 HB3 SER A 13 0.741 -13.046 -3.365 1.00 0.70 H new ATOM 0 HG SER A 13 1.549 -12.940 -1.191 1.00 0.89 H new ATOM 209 N GLY A 14 0.269 -11.868 -5.879 1.00 1.22 N ATOM 210 CA GLY A 14 -0.760 -11.831 -6.918 1.00 1.47 C ATOM 211 C GLY A 14 -0.336 -11.045 -8.164 1.00 1.78 C ATOM 212 O GLY A 14 -0.578 -11.487 -9.291 1.00 3.19 O ATOM 0 H GLY A 14 0.802 -12.737 -5.865 1.00 1.22 H new ATOM 0 HA2 GLY A 14 -1.010 -12.851 -7.208 1.00 1.47 H new ATOM 0 HA3 GLY A 14 -1.666 -11.386 -6.507 1.00 1.47 H new ATOM 216 N MET A 15 0.265 -9.869 -7.954 1.00 1.09 N ATOM 217 CA MET A 15 0.690 -8.949 -8.996 1.00 1.14 C ATOM 218 C MET A 15 1.270 -9.651 -10.223 1.00 1.37 C ATOM 219 O MET A 15 2.242 -10.398 -10.133 1.00 1.97 O ATOM 220 CB MET A 15 1.665 -7.895 -8.453 1.00 1.08 C ATOM 221 CG MET A 15 3.061 -8.390 -8.041 1.00 1.26 C ATOM 222 SD MET A 15 3.150 -9.552 -6.654 1.00 2.89 S ATOM 223 CE MET A 15 4.373 -10.716 -7.293 1.00 2.34 C ATOM 0 H MET A 15 0.473 -9.526 -7.016 1.00 1.09 H new ATOM 0 HA MET A 15 -0.214 -8.441 -9.331 1.00 1.14 H new ATOM 0 HB2 MET A 15 1.789 -7.123 -9.213 1.00 1.08 H new ATOM 0 HB3 MET A 15 1.204 -7.419 -7.587 1.00 1.08 H new ATOM 0 HG2 MET A 15 3.522 -8.863 -8.908 1.00 1.26 H new ATOM 0 HG3 MET A 15 3.668 -7.520 -7.792 1.00 1.26 H new ATOM 0 HE1 MET A 15 4.546 -11.502 -6.558 1.00 2.34 H new ATOM 0 HE2 MET A 15 4.005 -11.160 -8.218 1.00 2.34 H new ATOM 0 HE3 MET A 15 5.307 -10.190 -7.490 1.00 2.34 H new ATOM 233 N THR A 16 0.665 -9.388 -11.378 1.00 1.12 N ATOM 234 CA THR A 16 1.097 -9.923 -12.661 1.00 1.23 C ATOM 235 C THR A 16 1.009 -8.877 -13.779 1.00 1.13 C ATOM 236 O THR A 16 1.172 -9.207 -14.951 1.00 2.16 O ATOM 237 CB THR A 16 0.328 -11.224 -12.950 1.00 2.15 C ATOM 238 OG1 THR A 16 -0.898 -11.259 -12.233 1.00 2.75 O ATOM 239 CG2 THR A 16 1.129 -12.458 -12.515 1.00 3.32 C ATOM 0 H THR A 16 -0.155 -8.785 -11.447 1.00 1.12 H new ATOM 0 HA THR A 16 2.156 -10.176 -12.617 1.00 1.23 H new ATOM 0 HB THR A 16 0.153 -11.242 -14.026 1.00 2.15 H new ATOM 0 HG1 THR A 16 -0.717 -11.416 -11.283 1.00 2.75 H new ATOM 0 HG21 THR A 16 0.556 -13.359 -12.734 1.00 3.32 H new ATOM 0 HG22 THR A 16 2.074 -12.488 -13.057 1.00 3.32 H new ATOM 0 HG23 THR A 16 1.327 -12.405 -11.444 1.00 3.32 H new ATOM 247 N CYS A 17 0.817 -7.608 -13.402 1.00 0.81 N ATOM 248 CA CYS A 17 0.703 -6.467 -14.299 1.00 1.61 C ATOM 249 C CYS A 17 1.856 -5.480 -14.101 1.00 1.60 C ATOM 250 O CYS A 17 2.144 -4.682 -14.990 1.00 2.94 O ATOM 251 CB CYS A 17 -0.606 -5.727 -14.002 1.00 2.31 C ATOM 252 SG CYS A 17 -1.998 -6.874 -13.795 1.00 2.72 S ATOM 0 H CYS A 17 0.734 -7.344 -12.420 1.00 0.81 H new ATOM 0 HA CYS A 17 0.727 -6.842 -15.322 1.00 1.61 H new ATOM 0 HB2 CYS A 17 -0.489 -5.131 -13.097 1.00 2.31 H new ATOM 0 HB3 CYS A 17 -0.824 -5.034 -14.815 1.00 2.31 H new ATOM 0 HG CYS A 17 -3.111 -6.203 -13.755 1.00 2.72 H new ATOM 257 N ALA A 18 2.436 -5.457 -12.893 1.00 1.31 N ATOM 258 CA ALA A 18 3.275 -4.381 -12.372 1.00 1.24 C ATOM 259 C ALA A 18 2.457 -3.092 -12.211 1.00 1.17 C ATOM 260 O ALA A 18 2.244 -2.636 -11.092 1.00 2.47 O ATOM 261 CB ALA A 18 4.556 -4.197 -13.195 1.00 1.72 C ATOM 0 H ALA A 18 2.326 -6.222 -12.228 1.00 1.31 H new ATOM 0 HA ALA A 18 3.618 -4.662 -11.377 1.00 1.24 H new ATOM 0 HB1 ALA A 18 5.148 -3.386 -12.770 1.00 1.72 H new ATOM 0 HB2 ALA A 18 5.137 -5.119 -13.175 1.00 1.72 H new ATOM 0 HB3 ALA A 18 4.295 -3.955 -14.225 1.00 1.72 H new ATOM 267 N ALA A 19 1.953 -2.537 -13.319 1.00 0.84 N ATOM 268 CA ALA A 19 1.156 -1.315 -13.378 1.00 0.65 C ATOM 269 C ALA A 19 0.123 -1.226 -12.249 1.00 0.43 C ATOM 270 O ALA A 19 0.088 -0.252 -11.499 1.00 0.48 O ATOM 271 CB ALA A 19 0.469 -1.239 -14.745 1.00 0.87 C ATOM 0 H ALA A 19 2.099 -2.950 -14.240 1.00 0.84 H new ATOM 0 HA ALA A 19 1.827 -0.466 -13.244 1.00 0.65 H new ATOM 0 HB1 ALA A 19 -0.130 -0.330 -14.801 1.00 0.87 H new ATOM 0 HB2 ALA A 19 1.224 -1.226 -15.531 1.00 0.87 H new ATOM 0 HB3 ALA A 19 -0.177 -2.107 -14.877 1.00 0.87 H new ATOM 277 N CYS A 20 -0.725 -2.245 -12.115 1.00 0.45 N ATOM 278 CA CYS A 20 -1.772 -2.289 -11.103 1.00 0.43 C ATOM 279 C CYS A 20 -1.242 -2.115 -9.682 1.00 0.35 C ATOM 280 O CYS A 20 -1.933 -1.543 -8.840 1.00 0.33 O ATOM 281 CB CYS A 20 -2.548 -3.599 -11.248 1.00 0.52 C ATOM 282 SG CYS A 20 -3.468 -3.536 -12.805 1.00 1.48 S ATOM 0 H CYS A 20 -0.702 -3.070 -12.714 1.00 0.45 H new ATOM 0 HA CYS A 20 -2.437 -1.442 -11.271 1.00 0.43 H new ATOM 0 HB2 CYS A 20 -1.865 -4.449 -11.243 1.00 0.52 H new ATOM 0 HB3 CYS A 20 -3.230 -3.733 -10.408 1.00 0.52 H new ATOM 0 HG CYS A 20 -4.138 -4.640 -12.958 1.00 1.48 H new ATOM 287 N ALA A 21 -0.019 -2.569 -9.410 1.00 0.40 N ATOM 288 CA ALA A 21 0.585 -2.375 -8.104 1.00 0.36 C ATOM 289 C ALA A 21 0.737 -0.876 -7.798 1.00 0.33 C ATOM 290 O ALA A 21 0.719 -0.461 -6.648 1.00 0.34 O ATOM 291 CB ALA A 21 1.909 -3.139 -8.034 1.00 0.42 C ATOM 0 H ALA A 21 0.566 -3.071 -10.078 1.00 0.40 H new ATOM 0 HA ALA A 21 -0.064 -2.780 -7.328 1.00 0.36 H new ATOM 0 HB1 ALA A 21 2.362 -2.993 -7.053 1.00 0.42 H new ATOM 0 HB2 ALA A 21 1.725 -4.201 -8.194 1.00 0.42 H new ATOM 0 HB3 ALA A 21 2.585 -2.768 -8.805 1.00 0.42 H new ATOM 297 N ALA A 22 0.854 -0.024 -8.821 1.00 0.35 N ATOM 298 CA ALA A 22 0.785 1.411 -8.611 1.00 0.34 C ATOM 299 C ALA A 22 -0.650 1.795 -8.263 1.00 0.31 C ATOM 300 O ALA A 22 -0.886 2.504 -7.286 1.00 0.26 O ATOM 301 CB ALA A 22 1.266 2.157 -9.857 1.00 0.40 C ATOM 0 H ALA A 22 0.995 -0.307 -9.791 1.00 0.35 H new ATOM 0 HA ALA A 22 1.439 1.692 -7.785 1.00 0.34 H new ATOM 0 HB1 ALA A 22 1.208 3.231 -9.683 1.00 0.40 H new ATOM 0 HB2 ALA A 22 2.298 1.879 -10.072 1.00 0.40 H new ATOM 0 HB3 ALA A 22 0.635 1.892 -10.706 1.00 0.40 H new ATOM 307 N ARG A 23 -1.608 1.344 -9.080 1.00 0.36 N ATOM 308 CA ARG A 23 -3.012 1.682 -8.895 1.00 0.34 C ATOM 309 C ARG A 23 -3.457 1.400 -7.466 1.00 0.30 C ATOM 310 O ARG A 23 -4.106 2.256 -6.866 1.00 0.28 O ATOM 311 CB ARG A 23 -3.928 0.952 -9.885 1.00 0.42 C ATOM 312 CG ARG A 23 -3.672 1.374 -11.337 1.00 0.68 C ATOM 313 CD ARG A 23 -4.851 0.968 -12.230 1.00 1.38 C ATOM 314 NE ARG A 23 -5.014 -0.498 -12.305 1.00 2.55 N ATOM 315 CZ ARG A 23 -6.161 -1.155 -12.551 1.00 3.77 C ATOM 316 NH1 ARG A 23 -7.305 -0.484 -12.730 1.00 4.34 N ATOM 317 NH2 ARG A 23 -6.155 -2.488 -12.622 1.00 5.29 N ATOM 0 H ARG A 23 -1.428 0.739 -9.881 1.00 0.36 H new ATOM 0 HA ARG A 23 -3.102 2.750 -9.093 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -3.778 -0.123 -9.790 1.00 0.42 H new ATOM 0 HB3 ARG A 23 -4.968 1.152 -9.629 1.00 0.42 H new ATOM 0 HG2 ARG A 23 -3.524 2.453 -11.388 1.00 0.68 H new ATOM 0 HG3 ARG A 23 -2.756 0.909 -11.701 1.00 0.68 H new ATOM 0 HD2 ARG A 23 -5.767 1.415 -11.844 1.00 1.38 H new ATOM 0 HD3 ARG A 23 -4.699 1.367 -13.233 1.00 1.38 H new ATOM 0 HE ARG A 23 -4.179 -1.065 -12.156 1.00 2.55 H new ATOM 0 HH11 ARG A 23 -7.312 0.535 -12.680 1.00 4.34 H new ATOM 0 HH12 ARG A 23 -8.170 -0.991 -12.916 1.00 4.34 H new ATOM 0 HH21 ARG A 23 -5.284 -3.002 -12.490 1.00 5.29 H new ATOM 0 HH22 ARG A 23 -7.022 -2.993 -12.808 1.00 5.29 H new ATOM 331 N ILE A 24 -3.114 0.232 -6.914 1.00 0.32 N ATOM 332 CA ILE A 24 -3.487 -0.054 -5.535 1.00 0.33 C ATOM 333 C ILE A 24 -2.909 0.999 -4.590 1.00 0.29 C ATOM 334 O ILE A 24 -3.681 1.660 -3.907 1.00 0.30 O ATOM 335 CB ILE A 24 -3.240 -1.506 -5.110 1.00 0.38 C ATOM 336 CG1 ILE A 24 -1.753 -1.744 -4.890 1.00 0.40 C ATOM 337 CG2 ILE A 24 -3.875 -2.458 -6.128 1.00 0.49 C ATOM 338 CD1 ILE A 24 -1.337 -3.197 -4.734 1.00 0.44 C ATOM 0 H ILE A 24 -2.595 -0.507 -7.387 1.00 0.32 H new ATOM 0 HA ILE A 24 -4.571 0.030 -5.465 1.00 0.33 H new ATOM 0 HB ILE A 24 -3.721 -1.709 -4.153 1.00 0.38 H new ATOM 0 HG12 ILE A 24 -1.207 -1.317 -5.731 1.00 0.40 H new ATOM 0 HG13 ILE A 24 -1.444 -1.198 -3.998 1.00 0.40 H new ATOM 0 HG21 ILE A 24 -3.697 -3.489 -5.822 1.00 0.49 H new ATOM 0 HG22 ILE A 24 -4.948 -2.274 -6.178 1.00 0.49 H new ATOM 0 HG23 ILE A 24 -3.432 -2.289 -7.110 1.00 0.49 H new ATOM 0 HD11 ILE A 24 -0.259 -3.253 -4.583 1.00 0.44 H new ATOM 0 HD12 ILE A 24 -1.847 -3.631 -3.874 1.00 0.44 H new ATOM 0 HD13 ILE A 24 -1.606 -3.751 -5.633 1.00 0.44 H new ATOM 350 N GLU A 25 -1.593 1.229 -4.585 1.00 0.28 N ATOM 351 CA GLU A 25 -0.982 2.223 -3.710 1.00 0.26 C ATOM 352 C GLU A 25 -1.644 3.591 -3.860 1.00 0.23 C ATOM 353 O GLU A 25 -1.899 4.257 -2.864 1.00 0.29 O ATOM 354 CB GLU A 25 0.536 2.293 -3.940 1.00 0.28 C ATOM 355 CG GLU A 25 1.287 1.455 -2.898 1.00 0.36 C ATOM 356 CD GLU A 25 0.753 0.032 -2.810 1.00 1.21 C ATOM 357 OE1 GLU A 25 1.166 -0.780 -3.660 1.00 2.69 O ATOM 358 OE2 GLU A 25 -0.045 -0.216 -1.882 1.00 1.97 O ATOM 0 H GLU A 25 -0.930 0.735 -5.182 1.00 0.28 H new ATOM 0 HA GLU A 25 -1.146 1.907 -2.680 1.00 0.26 H new ATOM 0 HB2 GLU A 25 0.773 1.933 -4.941 1.00 0.28 H new ATOM 0 HB3 GLU A 25 0.868 3.330 -3.887 1.00 0.28 H new ATOM 0 HG2 GLU A 25 2.347 1.428 -3.151 1.00 0.36 H new ATOM 0 HG3 GLU A 25 1.204 1.933 -1.922 1.00 0.36 H new ATOM 365 N LYS A 26 -1.951 4.028 -5.080 1.00 0.23 N ATOM 366 CA LYS A 26 -2.564 5.339 -5.274 1.00 0.30 C ATOM 367 C LYS A 26 -4.014 5.346 -4.768 1.00 0.33 C ATOM 368 O LYS A 26 -4.435 6.263 -4.063 1.00 0.50 O ATOM 369 CB LYS A 26 -2.439 5.786 -6.737 1.00 0.35 C ATOM 370 CG LYS A 26 -0.991 5.797 -7.263 1.00 0.47 C ATOM 371 CD LYS A 26 -0.054 6.791 -6.558 1.00 1.31 C ATOM 372 CE LYS A 26 1.419 6.556 -6.930 1.00 0.94 C ATOM 373 NZ LYS A 26 1.680 6.709 -8.377 1.00 1.95 N ATOM 0 H LYS A 26 -1.788 3.501 -5.938 1.00 0.23 H new ATOM 0 HA LYS A 26 -2.024 6.073 -4.676 1.00 0.30 H new ATOM 0 HB2 LYS A 26 -3.037 5.123 -7.362 1.00 0.35 H new ATOM 0 HB3 LYS A 26 -2.860 6.786 -6.839 1.00 0.35 H new ATOM 0 HG2 LYS A 26 -0.576 4.794 -7.162 1.00 0.47 H new ATOM 0 HG3 LYS A 26 -1.008 6.029 -8.328 1.00 0.47 H new ATOM 0 HD2 LYS A 26 -0.338 7.809 -6.825 1.00 1.31 H new ATOM 0 HD3 LYS A 26 -0.174 6.700 -5.479 1.00 1.31 H new ATOM 0 HE2 LYS A 26 2.044 7.257 -6.377 1.00 0.94 H new ATOM 0 HE3 LYS A 26 1.712 5.554 -6.617 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 2.691 6.556 -8.565 1.00 1.95 H new ATOM 0 HZ2 LYS A 26 1.120 6.011 -8.907 1.00 1.95 H new ATOM 0 HZ3 LYS A 26 1.413 7.668 -8.678 1.00 1.95 H new ATOM 387 N GLY A 27 -4.784 4.309 -5.098 1.00 0.30 N ATOM 388 CA GLY A 27 -6.154 4.151 -4.631 1.00 0.43 C ATOM 389 C GLY A 27 -6.219 3.934 -3.118 1.00 0.62 C ATOM 390 O GLY A 27 -7.243 4.226 -2.495 1.00 1.01 O ATOM 0 H GLY A 27 -4.468 3.551 -5.702 1.00 0.30 H new ATOM 0 HA2 GLY A 27 -6.732 5.036 -4.896 1.00 0.43 H new ATOM 0 HA3 GLY A 27 -6.616 3.305 -5.139 1.00 0.43 H new ATOM 394 N LEU A 28 -5.145 3.402 -2.538 1.00 0.44 N ATOM 395 CA LEU A 28 -4.913 3.239 -1.111 1.00 0.51 C ATOM 396 C LEU A 28 -4.686 4.623 -0.518 1.00 0.57 C ATOM 397 O LEU A 28 -5.408 5.028 0.386 1.00 0.75 O ATOM 398 CB LEU A 28 -3.769 2.239 -0.928 1.00 0.48 C ATOM 399 CG LEU A 28 -3.374 1.910 0.512 1.00 0.42 C ATOM 400 CD1 LEU A 28 -2.618 0.580 0.475 1.00 1.81 C ATOM 401 CD2 LEU A 28 -2.493 3.017 1.091 1.00 1.64 C ATOM 0 H LEU A 28 -4.364 3.051 -3.093 1.00 0.44 H new ATOM 0 HA LEU A 28 -5.759 2.817 -0.569 1.00 0.51 H new ATOM 0 HB2 LEU A 28 -4.045 1.310 -1.427 1.00 0.48 H new ATOM 0 HB3 LEU A 28 -2.890 2.628 -1.442 1.00 0.48 H new ATOM 0 HG LEU A 28 -4.255 1.834 1.149 1.00 0.42 H new ATOM 0 HD11 LEU A 28 -2.316 0.305 1.485 1.00 1.81 H new ATOM 0 HD12 LEU A 28 -3.266 -0.196 0.066 1.00 1.81 H new ATOM 0 HD13 LEU A 28 -1.733 0.682 -0.153 1.00 1.81 H new ATOM 0 HD21 LEU A 28 -2.221 2.767 2.116 1.00 1.64 H new ATOM 0 HD22 LEU A 28 -1.589 3.115 0.490 1.00 1.64 H new ATOM 0 HD23 LEU A 28 -3.040 3.960 1.080 1.00 1.64 H new ATOM 413 N LYS A 29 -3.740 5.378 -1.079 1.00 0.51 N ATOM 414 CA LYS A 29 -3.364 6.734 -0.692 1.00 0.54 C ATOM 415 C LYS A 29 -4.549 7.705 -0.589 1.00 0.47 C ATOM 416 O LYS A 29 -4.413 8.790 -0.025 1.00 0.57 O ATOM 417 CB LYS A 29 -2.342 7.253 -1.711 1.00 0.63 C ATOM 418 CG LYS A 29 -1.414 8.343 -1.173 1.00 0.85 C ATOM 419 CD LYS A 29 -1.327 9.518 -2.156 1.00 0.86 C ATOM 420 CE LYS A 29 -2.549 10.428 -2.070 1.00 2.07 C ATOM 421 NZ LYS A 29 -2.842 10.860 -0.683 1.00 3.42 N ATOM 0 H LYS A 29 -3.184 5.036 -1.863 1.00 0.51 H new ATOM 0 HA LYS A 29 -2.942 6.686 0.312 1.00 0.54 H new ATOM 0 HB2 LYS A 29 -1.737 6.416 -2.059 1.00 0.63 H new ATOM 0 HB3 LYS A 29 -2.876 7.642 -2.578 1.00 0.63 H new ATOM 0 HG2 LYS A 29 -1.780 8.696 -0.209 1.00 0.85 H new ATOM 0 HG3 LYS A 29 -0.420 7.930 -1.004 1.00 0.85 H new ATOM 0 HD2 LYS A 29 -0.428 10.098 -1.949 1.00 0.86 H new ATOM 0 HD3 LYS A 29 -1.232 9.134 -3.172 1.00 0.86 H new ATOM 0 HE2 LYS A 29 -2.387 11.307 -2.694 1.00 2.07 H new ATOM 0 HE3 LYS A 29 -3.416 9.905 -2.474 1.00 2.07 H new ATOM 0 HZ1 LYS A 29 -3.130 11.859 -0.684 1.00 3.42 H new ATOM 0 HZ2 LYS A 29 -3.611 10.278 -0.293 1.00 3.42 H new ATOM 0 HZ3 LYS A 29 -1.991 10.746 -0.097 1.00 3.42 H new ATOM 435 N ARG A 30 -5.683 7.360 -1.202 1.00 0.48 N ATOM 436 CA ARG A 30 -6.926 8.117 -1.149 1.00 0.51 C ATOM 437 C ARG A 30 -7.635 8.017 0.215 1.00 0.46 C ATOM 438 O ARG A 30 -8.552 8.796 0.467 1.00 0.47 O ATOM 439 CB ARG A 30 -7.840 7.631 -2.290 1.00 0.65 C ATOM 440 CG ARG A 30 -8.155 8.723 -3.318 1.00 0.90 C ATOM 441 CD ARG A 30 -9.127 9.771 -2.764 1.00 1.59 C ATOM 442 NE ARG A 30 -9.627 10.632 -3.848 1.00 2.03 N ATOM 443 CZ ARG A 30 -10.667 11.477 -3.744 1.00 3.03 C ATOM 444 NH1 ARG A 30 -11.242 11.679 -2.553 1.00 4.03 N ATOM 445 NH2 ARG A 30 -11.125 12.109 -4.831 1.00 3.57 N ATOM 0 H ARG A 30 -5.759 6.515 -1.768 1.00 0.48 H new ATOM 0 HA ARG A 30 -6.691 9.174 -1.276 1.00 0.51 H new ATOM 0 HB2 ARG A 30 -7.363 6.791 -2.796 1.00 0.65 H new ATOM 0 HB3 ARG A 30 -8.773 7.260 -1.866 1.00 0.65 H new ATOM 0 HG2 ARG A 30 -7.230 9.212 -3.622 1.00 0.90 H new ATOM 0 HG3 ARG A 30 -8.583 8.268 -4.211 1.00 0.90 H new ATOM 0 HD2 ARG A 30 -9.963 9.276 -2.270 1.00 1.59 H new ATOM 0 HD3 ARG A 30 -8.626 10.379 -2.010 1.00 1.59 H new ATOM 0 HE ARG A 30 -9.148 10.584 -4.747 1.00 2.03 H new ATOM 0 HH11 ARG A 30 -10.891 11.193 -1.728 1.00 4.03 H new ATOM 0 HH12 ARG A 30 -12.031 12.319 -2.470 1.00 4.03 H new ATOM 0 HH21 ARG A 30 -10.685 11.949 -5.737 1.00 3.57 H new ATOM 0 HH22 ARG A 30 -11.914 12.750 -4.753 1.00 3.57 H new ATOM 459 N MET A 31 -7.272 7.048 1.064 1.00 0.51 N ATOM 460 CA MET A 31 -7.881 6.857 2.381 1.00 0.49 C ATOM 461 C MET A 31 -7.528 8.014 3.329 1.00 0.46 C ATOM 462 O MET A 31 -6.521 8.686 3.106 1.00 0.51 O ATOM 463 CB MET A 31 -7.414 5.507 2.955 1.00 0.53 C ATOM 464 CG MET A 31 -5.960 5.524 3.449 1.00 2.05 C ATOM 465 SD MET A 31 -5.337 3.987 4.165 1.00 3.77 S ATOM 466 CE MET A 31 -6.046 2.774 3.067 1.00 3.59 C ATOM 0 H MET A 31 -6.540 6.370 0.852 1.00 0.51 H new ATOM 0 HA MET A 31 -8.966 6.850 2.278 1.00 0.49 H new ATOM 0 HB2 MET A 31 -8.067 5.227 3.781 1.00 0.53 H new ATOM 0 HB3 MET A 31 -7.521 4.739 2.189 1.00 0.53 H new ATOM 0 HG2 MET A 31 -5.318 5.796 2.611 1.00 2.05 H new ATOM 0 HG3 MET A 31 -5.862 6.313 4.195 1.00 2.05 H new ATOM 0 HE1 MET A 31 -5.408 1.890 3.040 1.00 3.59 H new ATOM 0 HE2 MET A 31 -7.037 2.495 3.424 1.00 3.59 H new ATOM 0 HE3 MET A 31 -6.126 3.194 2.064 1.00 3.59 H new ATOM 476 N PRO A 32 -8.291 8.226 4.414 1.00 0.48 N ATOM 477 CA PRO A 32 -7.863 9.110 5.486 1.00 0.45 C ATOM 478 C PRO A 32 -6.567 8.567 6.104 1.00 0.45 C ATOM 479 O PRO A 32 -6.445 7.361 6.316 1.00 0.58 O ATOM 480 CB PRO A 32 -9.030 9.134 6.480 1.00 0.52 C ATOM 481 CG PRO A 32 -9.712 7.785 6.270 1.00 0.58 C ATOM 482 CD PRO A 32 -9.533 7.549 4.771 1.00 0.57 C ATOM 0 HA PRO A 32 -7.637 10.122 5.150 1.00 0.45 H new ATOM 0 HB2 PRO A 32 -8.680 9.250 7.506 1.00 0.52 H new ATOM 0 HB3 PRO A 32 -9.710 9.962 6.279 1.00 0.52 H new ATOM 0 HG2 PRO A 32 -9.245 6.998 6.863 1.00 0.58 H new ATOM 0 HG3 PRO A 32 -10.764 7.815 6.553 1.00 0.58 H new ATOM 0 HD2 PRO A 32 -9.478 6.484 4.545 1.00 0.57 H new ATOM 0 HD3 PRO A 32 -10.375 7.951 4.207 1.00 0.57 H new ATOM 490 N GLY A 33 -5.582 9.438 6.336 1.00 0.47 N ATOM 491 CA GLY A 33 -4.339 9.114 7.009 1.00 0.49 C ATOM 492 C GLY A 33 -3.162 9.050 6.035 1.00 0.51 C ATOM 493 O GLY A 33 -2.147 9.724 6.209 1.00 1.00 O ATOM 0 H GLY A 33 -5.637 10.415 6.049 1.00 0.47 H new ATOM 0 HA2 GLY A 33 -4.136 9.862 7.775 1.00 0.49 H new ATOM 0 HA3 GLY A 33 -4.441 8.156 7.518 1.00 0.49 H new ATOM 497 N VAL A 34 -3.278 8.245 4.975 1.00 0.39 N ATOM 498 CA VAL A 34 -2.148 8.030 4.079 1.00 0.32 C ATOM 499 C VAL A 34 -1.897 9.264 3.211 1.00 0.40 C ATOM 500 O VAL A 34 -2.674 9.572 2.304 1.00 0.93 O ATOM 501 CB VAL A 34 -2.334 6.769 3.229 1.00 0.42 C ATOM 502 CG1 VAL A 34 -1.107 6.546 2.334 1.00 0.35 C ATOM 503 CG2 VAL A 34 -2.503 5.538 4.124 1.00 0.60 C ATOM 0 H VAL A 34 -4.128 7.741 4.723 1.00 0.39 H new ATOM 0 HA VAL A 34 -1.262 7.871 4.694 1.00 0.32 H new ATOM 0 HB VAL A 34 -3.225 6.908 2.617 1.00 0.42 H new ATOM 0 HG11 VAL A 34 -1.252 5.647 1.735 1.00 0.35 H new ATOM 0 HG12 VAL A 34 -0.977 7.404 1.675 1.00 0.35 H new ATOM 0 HG13 VAL A 34 -0.220 6.429 2.956 1.00 0.35 H new ATOM 0 HG21 VAL A 34 -2.634 4.652 3.503 1.00 0.60 H new ATOM 0 HG22 VAL A 34 -1.617 5.417 4.747 1.00 0.60 H new ATOM 0 HG23 VAL A 34 -3.379 5.668 4.760 1.00 0.60 H new ATOM 513 N THR A 35 -0.760 9.927 3.427 1.00 0.32 N ATOM 514 CA THR A 35 -0.428 11.117 2.667 1.00 0.33 C ATOM 515 C THR A 35 0.143 10.692 1.316 1.00 0.43 C ATOM 516 O THR A 35 -0.358 11.180 0.303 1.00 0.66 O ATOM 517 CB THR A 35 0.447 12.089 3.487 1.00 0.39 C ATOM 518 OG1 THR A 35 -0.229 13.323 3.625 1.00 1.17 O ATOM 519 CG2 THR A 35 1.833 12.366 2.894 1.00 0.85 C ATOM 0 H THR A 35 -0.062 9.656 4.119 1.00 0.32 H new ATOM 0 HA THR A 35 -1.321 11.705 2.453 1.00 0.33 H new ATOM 0 HB THR A 35 0.611 11.594 4.444 1.00 0.39 H new ATOM 0 HG1 THR A 35 0.323 13.942 4.147 1.00 1.17 H new ATOM 0 HG21 THR A 35 2.373 13.059 3.539 1.00 0.85 H new ATOM 0 HG22 THR A 35 2.390 11.432 2.818 1.00 0.85 H new ATOM 0 HG23 THR A 35 1.723 12.805 1.902 1.00 0.85 H new ATOM 527 N ASP A 36 1.100 9.752 1.275 1.00 0.36 N ATOM 528 CA ASP A 36 1.744 9.318 0.044 1.00 0.36 C ATOM 529 C ASP A 36 1.968 7.816 0.062 1.00 0.29 C ATOM 530 O ASP A 36 1.965 7.188 1.115 1.00 0.22 O ATOM 531 CB ASP A 36 3.034 10.100 -0.217 1.00 0.48 C ATOM 532 CG ASP A 36 2.749 11.329 -1.070 1.00 0.98 C ATOM 533 OD1 ASP A 36 2.304 11.113 -2.219 1.00 1.55 O ATOM 534 OD2 ASP A 36 2.958 12.447 -0.556 1.00 2.26 O ATOM 0 H ASP A 36 1.445 9.273 2.107 1.00 0.36 H new ATOM 0 HA ASP A 36 1.078 9.537 -0.791 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.481 10.403 0.730 1.00 0.48 H new ATOM 0 HB3 ASP A 36 3.758 9.460 -0.721 1.00 0.48 H new ATOM 539 N ALA A 37 2.094 7.222 -1.124 1.00 0.36 N ATOM 540 CA ALA A 37 2.333 5.786 -1.260 1.00 0.31 C ATOM 541 C ALA A 37 3.030 5.437 -2.578 1.00 0.36 C ATOM 542 O ALA A 37 2.846 6.140 -3.572 1.00 0.44 O ATOM 543 CB ALA A 37 1.009 5.037 -1.105 1.00 0.44 C ATOM 0 H ALA A 37 2.034 7.719 -2.013 1.00 0.36 H new ATOM 0 HA ALA A 37 3.014 5.472 -0.469 1.00 0.31 H new ATOM 0 HB1 ALA A 37 1.183 3.966 -1.206 1.00 0.44 H new ATOM 0 HB2 ALA A 37 0.586 5.245 -0.122 1.00 0.44 H new ATOM 0 HB3 ALA A 37 0.313 5.366 -1.876 1.00 0.44 H new ATOM 549 N ASN A 38 3.855 4.379 -2.581 1.00 0.33 N ATOM 550 CA ASN A 38 4.811 4.105 -3.648 1.00 0.39 C ATOM 551 C ASN A 38 5.125 2.610 -3.654 1.00 0.33 C ATOM 552 O ASN A 38 5.568 2.065 -2.644 1.00 0.43 O ATOM 553 CB ASN A 38 6.136 4.886 -3.482 1.00 0.43 C ATOM 554 CG ASN A 38 6.289 5.718 -2.208 1.00 0.37 C ATOM 555 OD1 ASN A 38 6.550 6.914 -2.272 1.00 0.45 O ATOM 556 ND2 ASN A 38 6.159 5.102 -1.035 1.00 0.35 N ATOM 0 H ASN A 38 3.872 3.687 -1.832 1.00 0.33 H new ATOM 0 HA ASN A 38 4.355 4.426 -4.585 1.00 0.39 H new ATOM 0 HB2 ASN A 38 6.959 4.172 -3.523 1.00 0.43 H new ATOM 0 HB3 ASN A 38 6.248 5.551 -4.338 1.00 0.43 H new ATOM 0 HD21 ASN A 38 6.277 5.626 -0.168 1.00 0.35 H new ATOM 0 HD22 ASN A 38 5.942 4.106 -1.003 1.00 0.35 H new ATOM 563 N VAL A 39 4.924 1.949 -4.792 1.00 0.28 N ATOM 564 CA VAL A 39 5.129 0.520 -4.940 1.00 0.26 C ATOM 565 C VAL A 39 6.556 0.253 -5.449 1.00 0.27 C ATOM 566 O VAL A 39 6.877 0.529 -6.603 1.00 0.48 O ATOM 567 CB VAL A 39 3.996 -0.028 -5.827 1.00 0.32 C ATOM 568 CG1 VAL A 39 4.137 0.314 -7.319 1.00 0.53 C ATOM 569 CG2 VAL A 39 3.806 -1.533 -5.637 1.00 0.46 C ATOM 0 H VAL A 39 4.609 2.404 -5.649 1.00 0.28 H new ATOM 0 HA VAL A 39 5.070 -0.016 -3.993 1.00 0.26 H new ATOM 0 HB VAL A 39 3.100 0.489 -5.483 1.00 0.32 H new ATOM 0 HG11 VAL A 39 3.298 -0.110 -7.870 1.00 0.53 H new ATOM 0 HG12 VAL A 39 4.144 1.397 -7.445 1.00 0.53 H new ATOM 0 HG13 VAL A 39 5.069 -0.102 -7.701 1.00 0.53 H new ATOM 0 HG21 VAL A 39 2.998 -1.882 -6.280 1.00 0.46 H new ATOM 0 HG22 VAL A 39 4.728 -2.052 -5.899 1.00 0.46 H new ATOM 0 HG23 VAL A 39 3.557 -1.740 -4.596 1.00 0.46 H new ATOM 579 N ASN A 40 7.451 -0.261 -4.601 1.00 0.30 N ATOM 580 CA ASN A 40 8.841 -0.506 -4.976 1.00 0.31 C ATOM 581 C ASN A 40 8.967 -1.914 -5.568 1.00 0.27 C ATOM 582 O ASN A 40 9.725 -2.773 -5.099 1.00 0.27 O ATOM 583 CB ASN A 40 9.753 -0.268 -3.769 1.00 0.36 C ATOM 584 CG ASN A 40 11.226 -0.267 -4.168 1.00 0.41 C ATOM 585 OD1 ASN A 40 11.573 -0.429 -5.334 1.00 0.53 O ATOM 586 ND2 ASN A 40 12.114 -0.053 -3.202 1.00 0.61 N ATOM 0 H ASN A 40 7.231 -0.517 -3.639 1.00 0.30 H new ATOM 0 HA ASN A 40 9.162 0.193 -5.749 1.00 0.31 H new ATOM 0 HB2 ASN A 40 9.501 0.685 -3.304 1.00 0.36 H new ATOM 0 HB3 ASN A 40 9.578 -1.043 -3.022 1.00 0.36 H new ATOM 0 HD21 ASN A 40 13.109 -0.020 -3.422 1.00 0.61 H new ATOM 0 HD22 ASN A 40 11.800 0.079 -2.241 1.00 0.61 H new ATOM 593 N LEU A 41 8.201 -2.134 -6.637 1.00 0.30 N ATOM 594 CA LEU A 41 8.081 -3.424 -7.303 1.00 0.32 C ATOM 595 C LEU A 41 9.382 -3.814 -8.000 1.00 0.39 C ATOM 596 O LEU A 41 9.623 -4.997 -8.227 1.00 0.45 O ATOM 597 CB LEU A 41 6.878 -3.407 -8.259 1.00 0.43 C ATOM 598 CG LEU A 41 5.774 -4.409 -7.880 1.00 0.44 C ATOM 599 CD1 LEU A 41 6.106 -5.840 -8.333 1.00 0.76 C ATOM 600 CD2 LEU A 41 5.428 -4.352 -6.384 1.00 0.87 C ATOM 0 H LEU A 41 7.637 -1.403 -7.070 1.00 0.30 H new ATOM 0 HA LEU A 41 7.898 -4.196 -6.555 1.00 0.32 H new ATOM 0 HB2 LEU A 41 6.454 -2.403 -8.278 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.224 -3.626 -9.269 1.00 0.43 H new ATOM 0 HG LEU A 41 4.881 -4.103 -8.425 1.00 0.44 H new ATOM 0 HD11 LEU A 41 5.297 -6.510 -8.043 1.00 0.76 H new ATOM 0 HD12 LEU A 41 6.223 -5.861 -9.416 1.00 0.76 H new ATOM 0 HD13 LEU A 41 7.033 -6.165 -7.861 1.00 0.76 H new ATOM 0 HD21 LEU A 41 4.644 -5.077 -6.164 1.00 0.87 H new ATOM 0 HD22 LEU A 41 6.315 -4.587 -5.796 1.00 0.87 H new ATOM 0 HD23 LEU A 41 5.079 -3.351 -6.129 1.00 0.87 H new ATOM 612 N ALA A 42 10.255 -2.835 -8.259 1.00 0.46 N ATOM 613 CA ALA A 42 11.636 -3.071 -8.657 1.00 0.56 C ATOM 614 C ALA A 42 12.308 -4.132 -7.785 1.00 0.56 C ATOM 615 O ALA A 42 13.126 -4.899 -8.287 1.00 0.68 O ATOM 616 CB ALA A 42 12.431 -1.771 -8.557 1.00 0.65 C ATOM 0 H ALA A 42 10.014 -1.846 -8.196 1.00 0.46 H new ATOM 0 HA ALA A 42 11.623 -3.432 -9.685 1.00 0.56 H new ATOM 0 HB1 ALA A 42 13.464 -1.952 -8.856 1.00 0.65 H new ATOM 0 HB2 ALA A 42 11.989 -1.023 -9.215 1.00 0.65 H new ATOM 0 HB3 ALA A 42 12.409 -1.409 -7.529 1.00 0.65 H new ATOM 622 N THR A 43 11.977 -4.168 -6.488 1.00 0.50 N ATOM 623 CA THR A 43 12.443 -5.204 -5.578 1.00 0.62 C ATOM 624 C THR A 43 11.243 -5.881 -4.900 1.00 0.70 C ATOM 625 O THR A 43 11.319 -6.269 -3.735 1.00 1.31 O ATOM 626 CB THR A 43 13.476 -4.610 -4.601 1.00 0.70 C ATOM 627 OG1 THR A 43 13.898 -5.561 -3.646 1.00 1.01 O ATOM 628 CG2 THR A 43 12.958 -3.364 -3.877 1.00 0.58 C ATOM 0 H THR A 43 11.376 -3.473 -6.045 1.00 0.50 H new ATOM 0 HA THR A 43 12.962 -5.994 -6.120 1.00 0.62 H new ATOM 0 HB THR A 43 14.326 -4.316 -5.217 1.00 0.70 H new ATOM 0 HG1 THR A 43 13.138 -6.121 -3.383 1.00 1.01 H new ATOM 0 HG21 THR A 43 13.728 -2.989 -3.202 1.00 0.58 H new ATOM 0 HG22 THR A 43 12.710 -2.595 -4.608 1.00 0.58 H new ATOM 0 HG23 THR A 43 12.067 -3.620 -3.304 1.00 0.58 H new ATOM 636 N GLU A 44 10.127 -6.016 -5.623 1.00 0.35 N ATOM 637 CA GLU A 44 8.913 -6.702 -5.192 1.00 0.41 C ATOM 638 C GLU A 44 8.390 -6.226 -3.823 1.00 0.51 C ATOM 639 O GLU A 44 7.697 -6.985 -3.146 1.00 0.93 O ATOM 640 CB GLU A 44 9.158 -8.220 -5.219 1.00 0.46 C ATOM 641 CG GLU A 44 9.371 -8.723 -6.652 1.00 0.74 C ATOM 642 CD GLU A 44 9.531 -10.237 -6.678 1.00 1.56 C ATOM 643 OE1 GLU A 44 10.618 -10.698 -6.268 1.00 2.78 O ATOM 644 OE2 GLU A 44 8.558 -10.903 -7.094 1.00 1.93 O ATOM 0 H GLU A 44 10.045 -5.632 -6.565 1.00 0.35 H new ATOM 0 HA GLU A 44 8.118 -6.448 -5.894 1.00 0.41 H new ATOM 0 HB2 GLU A 44 10.031 -8.461 -4.613 1.00 0.46 H new ATOM 0 HB3 GLU A 44 8.308 -8.736 -4.772 1.00 0.46 H new ATOM 0 HG2 GLU A 44 8.524 -8.432 -7.274 1.00 0.74 H new ATOM 0 HG3 GLU A 44 10.256 -8.252 -7.079 1.00 0.74 H new ATOM 651 N THR A 45 8.694 -4.986 -3.416 1.00 0.27 N ATOM 652 CA THR A 45 8.330 -4.429 -2.122 1.00 0.28 C ATOM 653 C THR A 45 7.321 -3.291 -2.348 1.00 0.23 C ATOM 654 O THR A 45 7.196 -2.781 -3.459 1.00 0.28 O ATOM 655 CB THR A 45 9.620 -3.925 -1.449 1.00 0.35 C ATOM 656 OG1 THR A 45 10.691 -4.843 -1.553 1.00 0.63 O ATOM 657 CG2 THR A 45 9.444 -3.706 0.047 1.00 0.60 C ATOM 0 H THR A 45 9.214 -4.331 -4.000 1.00 0.27 H new ATOM 0 HA THR A 45 7.863 -5.170 -1.473 1.00 0.28 H new ATOM 0 HB THR A 45 9.839 -2.996 -1.976 1.00 0.35 H new ATOM 0 HG1 THR A 45 10.844 -5.061 -2.496 1.00 0.63 H new ATOM 0 HG21 THR A 45 10.381 -3.351 0.475 1.00 0.60 H new ATOM 0 HG22 THR A 45 8.663 -2.965 0.217 1.00 0.60 H new ATOM 0 HG23 THR A 45 9.161 -4.646 0.521 1.00 0.60 H new ATOM 665 N VAL A 46 6.608 -2.858 -1.308 1.00 0.22 N ATOM 666 CA VAL A 46 5.714 -1.706 -1.343 1.00 0.20 C ATOM 667 C VAL A 46 6.010 -0.812 -0.141 1.00 0.20 C ATOM 668 O VAL A 46 6.346 -1.334 0.922 1.00 0.21 O ATOM 669 CB VAL A 46 4.253 -2.180 -1.394 1.00 0.23 C ATOM 670 CG1 VAL A 46 3.933 -3.222 -0.322 1.00 0.29 C ATOM 671 CG2 VAL A 46 3.277 -1.018 -1.218 1.00 0.33 C ATOM 0 H VAL A 46 6.639 -3.312 -0.395 1.00 0.22 H new ATOM 0 HA VAL A 46 5.880 -1.113 -2.242 1.00 0.20 H new ATOM 0 HB VAL A 46 4.134 -2.630 -2.380 1.00 0.23 H new ATOM 0 HG11 VAL A 46 2.888 -3.521 -0.405 1.00 0.29 H new ATOM 0 HG12 VAL A 46 4.572 -4.094 -0.460 1.00 0.29 H new ATOM 0 HG13 VAL A 46 4.111 -2.795 0.665 1.00 0.29 H new ATOM 0 HG21 VAL A 46 2.254 -1.392 -1.260 1.00 0.33 H new ATOM 0 HG22 VAL A 46 3.450 -0.541 -0.253 1.00 0.33 H new ATOM 0 HG23 VAL A 46 3.430 -0.291 -2.015 1.00 0.33 H new ATOM 681 N ASN A 47 5.897 0.515 -0.308 1.00 0.22 N ATOM 682 CA ASN A 47 6.141 1.495 0.739 1.00 0.22 C ATOM 683 C ASN A 47 4.951 2.444 0.796 1.00 0.24 C ATOM 684 O ASN A 47 4.512 2.937 -0.243 1.00 0.30 O ATOM 685 CB ASN A 47 7.415 2.294 0.438 1.00 0.24 C ATOM 686 CG ASN A 47 8.690 1.508 0.708 1.00 0.27 C ATOM 687 OD1 ASN A 47 9.420 1.150 -0.212 1.00 0.33 O ATOM 688 ND2 ASN A 47 8.988 1.260 1.979 1.00 0.31 N ATOM 0 H ASN A 47 5.627 0.936 -1.197 1.00 0.22 H new ATOM 0 HA ASN A 47 6.270 0.984 1.693 1.00 0.22 H new ATOM 0 HB2 ASN A 47 7.402 2.607 -0.606 1.00 0.24 H new ATOM 0 HB3 ASN A 47 7.419 3.201 1.043 1.00 0.24 H new ATOM 0 HD21 ASN A 47 9.845 0.759 2.213 1.00 0.31 H new ATOM 0 HD22 ASN A 47 8.360 1.571 2.720 1.00 0.31 H new ATOM 695 N VAL A 48 4.440 2.725 1.996 1.00 0.26 N ATOM 696 CA VAL A 48 3.279 3.570 2.192 1.00 0.26 C ATOM 697 C VAL A 48 3.700 4.602 3.230 1.00 0.22 C ATOM 698 O VAL A 48 4.197 4.223 4.292 1.00 0.25 O ATOM 699 CB VAL A 48 2.065 2.730 2.622 1.00 0.32 C ATOM 700 CG1 VAL A 48 0.823 3.619 2.705 1.00 2.01 C ATOM 701 CG2 VAL A 48 1.771 1.596 1.631 1.00 1.90 C ATOM 0 H VAL A 48 4.832 2.363 2.865 1.00 0.26 H new ATOM 0 HA VAL A 48 2.960 4.070 1.278 1.00 0.26 H new ATOM 0 HB VAL A 48 2.304 2.297 3.593 1.00 0.32 H new ATOM 0 HG11 VAL A 48 -0.034 3.019 3.010 1.00 2.01 H new ATOM 0 HG12 VAL A 48 0.990 4.411 3.436 1.00 2.01 H new ATOM 0 HG13 VAL A 48 0.627 4.062 1.729 1.00 2.01 H new ATOM 0 HG21 VAL A 48 0.906 1.028 1.974 1.00 1.90 H new ATOM 0 HG22 VAL A 48 1.562 2.017 0.648 1.00 1.90 H new ATOM 0 HG23 VAL A 48 2.636 0.936 1.567 1.00 1.90 H new ATOM 711 N ILE A 49 3.577 5.883 2.873 1.00 0.21 N ATOM 712 CA ILE A 49 4.042 7.018 3.646 1.00 0.24 C ATOM 713 C ILE A 49 2.820 7.612 4.346 1.00 0.22 C ATOM 714 O ILE A 49 2.066 8.397 3.758 1.00 0.25 O ATOM 715 CB ILE A 49 4.725 8.058 2.735 1.00 0.30 C ATOM 716 CG1 ILE A 49 5.685 7.450 1.696 1.00 0.45 C ATOM 717 CG2 ILE A 49 5.426 9.121 3.593 1.00 0.37 C ATOM 718 CD1 ILE A 49 6.736 6.510 2.291 1.00 0.39 C ATOM 0 H ILE A 49 3.130 6.160 1.999 1.00 0.21 H new ATOM 0 HA ILE A 49 4.787 6.710 4.379 1.00 0.24 H new ATOM 0 HB ILE A 49 3.935 8.525 2.147 1.00 0.30 H new ATOM 0 HG12 ILE A 49 5.102 6.903 0.955 1.00 0.45 H new ATOM 0 HG13 ILE A 49 6.192 8.258 1.169 1.00 0.45 H new ATOM 0 HG21 ILE A 49 5.907 9.853 2.944 1.00 0.37 H new ATOM 0 HG22 ILE A 49 4.691 9.622 4.224 1.00 0.37 H new ATOM 0 HG23 ILE A 49 6.178 8.644 4.221 1.00 0.37 H new ATOM 0 HD11 ILE A 49 7.372 6.124 1.494 1.00 0.39 H new ATOM 0 HD12 ILE A 49 7.346 7.056 3.011 1.00 0.39 H new ATOM 0 HD13 ILE A 49 6.239 5.680 2.793 1.00 0.39 H new ATOM 730 N TYR A 50 2.582 7.199 5.590 1.00 0.24 N ATOM 731 CA TYR A 50 1.321 7.468 6.263 1.00 0.24 C ATOM 732 C TYR A 50 1.544 7.939 7.678 1.00 0.23 C ATOM 733 O TYR A 50 2.682 7.970 8.147 1.00 0.26 O ATOM 734 CB TYR A 50 0.423 6.235 6.223 1.00 0.28 C ATOM 735 CG TYR A 50 0.835 5.062 7.094 1.00 0.27 C ATOM 736 CD1 TYR A 50 0.488 5.046 8.457 1.00 1.65 C ATOM 737 CD2 TYR A 50 1.418 3.920 6.517 1.00 1.51 C ATOM 738 CE1 TYR A 50 0.790 3.929 9.250 1.00 1.76 C ATOM 739 CE2 TYR A 50 1.549 2.742 7.271 1.00 1.45 C ATOM 740 CZ TYR A 50 1.247 2.752 8.642 1.00 0.50 C ATOM 741 OH TYR A 50 1.325 1.605 9.375 1.00 0.64 O ATOM 0 H TYR A 50 3.253 6.674 6.151 1.00 0.24 H new ATOM 0 HA TYR A 50 0.816 8.274 5.731 1.00 0.24 H new ATOM 0 HB2 TYR A 50 -0.583 6.537 6.514 1.00 0.28 H new ATOM 0 HB3 TYR A 50 0.366 5.889 5.191 1.00 0.28 H new ATOM 0 HD1 TYR A 50 -0.013 5.897 8.895 1.00 1.65 H new ATOM 0 HD2 TYR A 50 1.765 3.948 5.495 1.00 1.51 H new ATOM 0 HE1 TYR A 50 0.671 3.976 10.322 1.00 1.76 H new ATOM 0 HE2 TYR A 50 1.881 1.830 6.797 1.00 1.45 H new ATOM 0 HH TYR A 50 1.264 1.822 10.329 1.00 0.64 H new ATOM 751 N ASP A 51 0.448 8.330 8.323 1.00 0.30 N ATOM 752 CA ASP A 51 0.462 8.897 9.654 1.00 0.27 C ATOM 753 C ASP A 51 0.157 7.855 10.737 1.00 0.33 C ATOM 754 O ASP A 51 -0.993 7.462 10.918 1.00 0.47 O ATOM 755 CB ASP A 51 -0.503 10.081 9.702 1.00 0.40 C ATOM 756 CG ASP A 51 -1.968 9.751 9.450 1.00 2.58 C ATOM 757 OD1 ASP A 51 -2.290 8.617 9.007 1.00 4.09 O ATOM 758 OD2 ASP A 51 -2.749 10.681 9.727 1.00 3.25 O ATOM 0 H ASP A 51 -0.487 8.257 7.922 1.00 0.30 H new ATOM 0 HA ASP A 51 1.469 9.253 9.873 1.00 0.27 H new ATOM 0 HB2 ASP A 51 -0.420 10.554 10.680 1.00 0.40 H new ATOM 0 HB3 ASP A 51 -0.183 10.816 8.964 1.00 0.40 H new ATOM 763 N PRO A 52 1.128 7.439 11.563 1.00 0.44 N ATOM 764 CA PRO A 52 0.861 6.480 12.628 1.00 0.67 C ATOM 765 C PRO A 52 -0.011 7.058 13.764 1.00 0.77 C ATOM 766 O PRO A 52 -0.091 6.450 14.828 1.00 1.07 O ATOM 767 CB PRO A 52 2.244 6.024 13.103 1.00 0.85 C ATOM 768 CG PRO A 52 3.117 7.253 12.850 1.00 0.73 C ATOM 769 CD PRO A 52 2.527 7.838 11.568 1.00 0.48 C ATOM 0 HA PRO A 52 0.265 5.641 12.268 1.00 0.67 H new ATOM 0 HB2 PRO A 52 2.237 5.744 14.156 1.00 0.85 H new ATOM 0 HB3 PRO A 52 2.597 5.157 12.545 1.00 0.85 H new ATOM 0 HG2 PRO A 52 3.066 7.961 13.677 1.00 0.73 H new ATOM 0 HG3 PRO A 52 4.166 6.984 12.725 1.00 0.73 H new ATOM 0 HD2 PRO A 52 2.625 8.923 11.551 1.00 0.48 H new ATOM 0 HD3 PRO A 52 3.046 7.457 10.688 1.00 0.48 H new ATOM 777 N ALA A 53 -0.660 8.216 13.559 1.00 0.68 N ATOM 778 CA ALA A 53 -1.654 8.792 14.443 1.00 0.90 C ATOM 779 C ALA A 53 -3.070 8.497 13.937 1.00 0.85 C ATOM 780 O ALA A 53 -3.975 8.397 14.763 1.00 1.05 O ATOM 781 CB ALA A 53 -1.424 10.302 14.530 1.00 1.06 C ATOM 0 H ALA A 53 -0.490 8.791 12.734 1.00 0.68 H new ATOM 0 HA ALA A 53 -1.555 8.347 15.433 1.00 0.90 H new ATOM 0 HB1 ALA A 53 -2.167 10.746 15.193 1.00 1.06 H new ATOM 0 HB2 ALA A 53 -0.426 10.496 14.922 1.00 1.06 H new ATOM 0 HB3 ALA A 53 -1.515 10.742 13.537 1.00 1.06 H new ATOM 787 N GLU A 54 -3.272 8.389 12.612 1.00 0.62 N ATOM 788 CA GLU A 54 -4.588 8.155 12.022 1.00 0.51 C ATOM 789 C GLU A 54 -4.606 6.788 11.339 1.00 0.45 C ATOM 790 O GLU A 54 -5.430 5.943 11.689 1.00 0.52 O ATOM 791 CB GLU A 54 -5.001 9.305 11.089 1.00 0.64 C ATOM 792 CG GLU A 54 -6.523 9.470 10.972 1.00 0.85 C ATOM 793 CD GLU A 54 -6.886 10.695 10.134 1.00 1.65 C ATOM 794 OE1 GLU A 54 -6.971 11.787 10.738 1.00 2.22 O ATOM 795 OE2 GLU A 54 -7.095 10.517 8.914 1.00 2.95 O ATOM 0 H GLU A 54 -2.522 8.463 11.925 1.00 0.62 H new ATOM 0 HA GLU A 54 -5.340 8.138 12.810 1.00 0.51 H new ATOM 0 HB2 GLU A 54 -4.568 10.236 11.456 1.00 0.64 H new ATOM 0 HB3 GLU A 54 -4.584 9.128 10.098 1.00 0.64 H new ATOM 0 HG2 GLU A 54 -6.954 8.577 10.520 1.00 0.85 H new ATOM 0 HG3 GLU A 54 -6.958 9.565 11.967 1.00 0.85 H new ATOM 802 N THR A 55 -3.670 6.541 10.415 1.00 0.44 N ATOM 803 CA THR A 55 -3.323 5.197 9.994 1.00 0.48 C ATOM 804 C THR A 55 -2.327 4.498 10.909 1.00 0.52 C ATOM 805 O THR A 55 -1.985 4.971 11.989 1.00 0.59 O ATOM 806 CB THR A 55 -3.149 5.056 8.467 1.00 0.47 C ATOM 807 OG1 THR A 55 -2.572 6.209 7.884 1.00 0.52 O ATOM 808 CG2 THR A 55 -4.536 4.820 7.866 1.00 0.43 C ATOM 0 H THR A 55 -3.138 7.273 9.944 1.00 0.44 H new ATOM 0 HA THR A 55 -4.201 4.572 10.157 1.00 0.48 H new ATOM 0 HB THR A 55 -2.473 4.225 8.263 1.00 0.47 H new ATOM 0 HG1 THR A 55 -2.238 6.801 8.590 1.00 0.52 H new ATOM 0 HG21 THR A 55 -4.451 4.715 6.784 1.00 0.43 H new ATOM 0 HG22 THR A 55 -4.964 3.910 8.286 1.00 0.43 H new ATOM 0 HG23 THR A 55 -5.182 5.666 8.099 1.00 0.43 H new ATOM 816 N GLY A 56 -2.000 3.266 10.528 1.00 0.56 N ATOM 817 CA GLY A 56 -1.654 2.208 11.449 1.00 0.65 C ATOM 818 C GLY A 56 -2.421 0.995 10.942 1.00 1.06 C ATOM 819 O GLY A 56 -3.571 0.822 11.316 1.00 2.29 O ATOM 0 H GLY A 56 -1.970 2.978 9.550 1.00 0.56 H new ATOM 0 HA2 GLY A 56 -0.580 2.024 11.456 1.00 0.65 H new ATOM 0 HA3 GLY A 56 -1.941 2.461 12.470 1.00 0.65 H new ATOM 823 N THR A 57 -1.743 0.205 10.102 1.00 0.61 N ATOM 824 CA THR A 57 -2.011 -0.707 8.983 1.00 0.71 C ATOM 825 C THR A 57 -3.426 -1.224 8.753 1.00 0.45 C ATOM 826 O THR A 57 -3.730 -1.678 7.653 1.00 0.42 O ATOM 827 CB THR A 57 -1.068 -1.914 9.136 1.00 1.03 C ATOM 828 OG1 THR A 57 -1.227 -2.509 10.411 1.00 1.17 O ATOM 829 CG2 THR A 57 0.406 -1.521 8.999 1.00 1.37 C ATOM 0 H THR A 57 -0.732 0.198 10.238 1.00 0.61 H new ATOM 0 HA THR A 57 -1.846 -0.085 8.103 1.00 0.71 H new ATOM 0 HB THR A 57 -1.334 -2.609 8.339 1.00 1.03 H new ATOM 0 HG1 THR A 57 -0.622 -3.276 10.492 1.00 1.17 H new ATOM 0 HG21 THR A 57 1.031 -2.407 9.115 1.00 1.37 H new ATOM 0 HG22 THR A 57 0.576 -1.083 8.016 1.00 1.37 H new ATOM 0 HG23 THR A 57 0.662 -0.793 9.769 1.00 1.37 H new ATOM 837 N ALA A 58 -4.287 -1.125 9.751 1.00 0.43 N ATOM 838 CA ALA A 58 -5.722 -1.239 9.660 1.00 0.46 C ATOM 839 C ALA A 58 -6.289 -0.846 8.302 1.00 0.42 C ATOM 840 O ALA A 58 -6.855 -1.677 7.589 1.00 0.43 O ATOM 841 CB ALA A 58 -6.284 -0.337 10.759 1.00 0.57 C ATOM 0 H ALA A 58 -3.976 -0.951 10.707 1.00 0.43 H new ATOM 0 HA ALA A 58 -6.009 -2.283 9.783 1.00 0.46 H new ATOM 0 HB1 ALA A 58 -7.373 -0.379 10.743 1.00 0.57 H new ATOM 0 HB2 ALA A 58 -5.922 -0.677 11.729 1.00 0.57 H new ATOM 0 HB3 ALA A 58 -5.958 0.689 10.589 1.00 0.57 H new ATOM 847 N ALA A 59 -6.115 0.423 7.937 1.00 0.41 N ATOM 848 CA ALA A 59 -6.846 0.932 6.779 1.00 0.39 C ATOM 849 C ALA A 59 -6.220 0.373 5.508 1.00 0.35 C ATOM 850 O ALA A 59 -6.900 0.056 4.537 1.00 0.34 O ATOM 851 CB ALA A 59 -6.881 2.455 6.787 1.00 0.46 C ATOM 0 H ALA A 59 -5.502 1.092 8.403 1.00 0.41 H new ATOM 0 HA ALA A 59 -7.883 0.600 6.822 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -7.430 2.811 5.915 1.00 0.46 H new ATOM 0 HB2 ALA A 59 -7.375 2.803 7.694 1.00 0.46 H new ATOM 0 HB3 ALA A 59 -5.863 2.843 6.757 1.00 0.46 H new ATOM 857 N ILE A 60 -4.894 0.263 5.541 1.00 0.37 N ATOM 858 CA ILE A 60 -4.075 -0.338 4.511 1.00 0.37 C ATOM 859 C ILE A 60 -4.555 -1.741 4.189 1.00 0.36 C ATOM 860 O ILE A 60 -4.881 -1.987 3.037 1.00 0.37 O ATOM 861 CB ILE A 60 -2.610 -0.212 4.946 1.00 0.38 C ATOM 862 CG1 ILE A 60 -2.185 1.190 4.513 1.00 0.39 C ATOM 863 CG2 ILE A 60 -1.655 -1.254 4.358 1.00 0.44 C ATOM 864 CD1 ILE A 60 -1.078 1.763 5.401 1.00 1.36 C ATOM 0 H ILE A 60 -4.343 0.609 6.327 1.00 0.37 H new ATOM 0 HA ILE A 60 -4.164 0.182 3.557 1.00 0.37 H new ATOM 0 HB ILE A 60 -2.550 -0.387 6.020 1.00 0.38 H new ATOM 0 HG12 ILE A 60 -1.839 1.159 3.480 1.00 0.39 H new ATOM 0 HG13 ILE A 60 -3.049 1.854 4.540 1.00 0.39 H new ATOM 0 HG21 ILE A 60 -0.646 -1.074 4.730 1.00 0.44 H new ATOM 0 HG22 ILE A 60 -1.978 -2.252 4.654 1.00 0.44 H new ATOM 0 HG23 ILE A 60 -1.660 -1.179 3.271 1.00 0.44 H new ATOM 0 HD11 ILE A 60 -0.811 2.761 5.052 1.00 1.36 H new ATOM 0 HD12 ILE A 60 -1.431 1.821 6.431 1.00 1.36 H new ATOM 0 HD13 ILE A 60 -0.202 1.116 5.354 1.00 1.36 H new ATOM 876 N GLN A 61 -4.637 -2.648 5.165 1.00 0.37 N ATOM 877 CA GLN A 61 -5.077 -4.010 4.879 1.00 0.35 C ATOM 878 C GLN A 61 -6.510 -3.984 4.314 1.00 0.33 C ATOM 879 O GLN A 61 -6.793 -4.631 3.304 1.00 0.33 O ATOM 880 CB GLN A 61 -4.986 -4.889 6.134 1.00 0.41 C ATOM 881 CG GLN A 61 -3.978 -6.049 6.029 1.00 0.50 C ATOM 882 CD GLN A 61 -2.623 -5.716 6.649 1.00 0.74 C ATOM 883 OE1 GLN A 61 -2.040 -6.527 7.358 1.00 1.23 O ATOM 884 NE2 GLN A 61 -2.111 -4.512 6.413 1.00 0.89 N ATOM 0 H GLN A 61 -4.409 -2.467 6.142 1.00 0.37 H new ATOM 0 HA GLN A 61 -4.417 -4.447 4.130 1.00 0.35 H new ATOM 0 HB2 GLN A 61 -4.712 -4.262 6.982 1.00 0.41 H new ATOM 0 HB3 GLN A 61 -5.973 -5.300 6.347 1.00 0.41 H new ATOM 0 HG2 GLN A 61 -4.391 -6.929 6.522 1.00 0.50 H new ATOM 0 HG3 GLN A 61 -3.838 -6.308 4.980 1.00 0.50 H new ATOM 0 HE21 GLN A 61 -2.613 -3.852 5.819 1.00 0.89 H new ATOM 0 HE22 GLN A 61 -1.216 -4.249 6.825 1.00 0.89 H new ATOM 893 N GLU A 62 -7.405 -3.214 4.948 1.00 0.33 N ATOM 894 CA GLU A 62 -8.775 -3.041 4.477 1.00 0.34 C ATOM 895 C GLU A 62 -8.819 -2.683 2.987 1.00 0.34 C ATOM 896 O GLU A 62 -9.420 -3.379 2.165 1.00 0.36 O ATOM 897 CB GLU A 62 -9.469 -1.953 5.312 1.00 0.36 C ATOM 898 CG GLU A 62 -10.216 -2.529 6.520 1.00 0.67 C ATOM 899 CD GLU A 62 -11.125 -1.475 7.144 1.00 2.12 C ATOM 900 OE1 GLU A 62 -10.692 -0.303 7.181 1.00 3.40 O ATOM 901 OE2 GLU A 62 -12.247 -1.857 7.540 1.00 2.62 O ATOM 0 H GLU A 62 -7.194 -2.696 5.801 1.00 0.33 H new ATOM 0 HA GLU A 62 -9.303 -3.987 4.599 1.00 0.34 H new ATOM 0 HB2 GLU A 62 -8.725 -1.235 5.657 1.00 0.36 H new ATOM 0 HB3 GLU A 62 -10.171 -1.407 4.681 1.00 0.36 H new ATOM 0 HG2 GLU A 62 -10.808 -3.390 6.211 1.00 0.67 H new ATOM 0 HG3 GLU A 62 -9.500 -2.884 7.261 1.00 0.67 H new ATOM 908 N LYS A 63 -8.193 -1.566 2.627 1.00 0.33 N ATOM 909 CA LYS A 63 -8.193 -1.080 1.273 1.00 0.35 C ATOM 910 C LYS A 63 -7.417 -2.013 0.348 1.00 0.34 C ATOM 911 O LYS A 63 -7.831 -2.168 -0.792 1.00 0.38 O ATOM 912 CB LYS A 63 -7.649 0.344 1.261 1.00 0.37 C ATOM 913 CG LYS A 63 -8.770 1.376 1.485 1.00 0.41 C ATOM 914 CD LYS A 63 -9.687 1.621 0.278 1.00 0.55 C ATOM 915 CE LYS A 63 -8.833 2.058 -0.921 1.00 2.51 C ATOM 916 NZ LYS A 63 -9.503 3.023 -1.811 1.00 3.32 N ATOM 0 H LYS A 63 -7.672 -0.978 3.278 1.00 0.33 H new ATOM 0 HA LYS A 63 -9.212 -1.062 0.888 1.00 0.35 H new ATOM 0 HB2 LYS A 63 -6.892 0.452 2.038 1.00 0.37 H new ATOM 0 HB3 LYS A 63 -7.158 0.539 0.308 1.00 0.37 H new ATOM 0 HG2 LYS A 63 -9.382 1.047 2.325 1.00 0.41 H new ATOM 0 HG3 LYS A 63 -8.316 2.324 1.774 1.00 0.41 H new ATOM 0 HD2 LYS A 63 -10.240 0.713 0.035 1.00 0.55 H new ATOM 0 HD3 LYS A 63 -10.423 2.389 0.515 1.00 0.55 H new ATOM 0 HE2 LYS A 63 -7.907 2.500 -0.553 1.00 2.51 H new ATOM 0 HE3 LYS A 63 -8.558 1.176 -1.499 1.00 2.51 H new ATOM 0 HZ1 LYS A 63 -8.797 3.671 -2.215 1.00 3.32 H new ATOM 0 HZ2 LYS A 63 -9.983 2.512 -2.579 1.00 3.32 H new ATOM 0 HZ3 LYS A 63 -10.203 3.568 -1.268 1.00 3.32 H new ATOM 930 N ILE A 64 -6.328 -2.636 0.805 1.00 0.30 N ATOM 931 CA ILE A 64 -5.572 -3.621 0.051 1.00 0.27 C ATOM 932 C ILE A 64 -6.563 -4.659 -0.509 1.00 0.27 C ATOM 933 O ILE A 64 -6.642 -4.874 -1.722 1.00 0.30 O ATOM 934 CB ILE A 64 -4.513 -4.236 0.980 1.00 0.27 C ATOM 935 CG1 ILE A 64 -3.193 -3.464 0.890 1.00 0.33 C ATOM 936 CG2 ILE A 64 -4.307 -5.735 0.808 1.00 0.29 C ATOM 937 CD1 ILE A 64 -2.402 -3.804 -0.371 1.00 0.40 C ATOM 0 H ILE A 64 -5.944 -2.460 1.733 1.00 0.30 H new ATOM 0 HA ILE A 64 -5.044 -3.181 -0.795 1.00 0.27 H new ATOM 0 HB ILE A 64 -4.913 -4.132 1.988 1.00 0.27 H new ATOM 0 HG12 ILE A 64 -3.400 -2.394 0.908 1.00 0.33 H new ATOM 0 HG13 ILE A 64 -2.585 -3.686 1.767 1.00 0.33 H new ATOM 0 HG21 ILE A 64 -3.542 -6.079 1.504 1.00 0.29 H new ATOM 0 HG22 ILE A 64 -5.243 -6.256 1.010 1.00 0.29 H new ATOM 0 HG23 ILE A 64 -3.988 -5.944 -0.213 1.00 0.29 H new ATOM 0 HD11 ILE A 64 -1.476 -3.230 -0.385 1.00 0.40 H new ATOM 0 HD12 ILE A 64 -2.169 -4.869 -0.378 1.00 0.40 H new ATOM 0 HD13 ILE A 64 -2.996 -3.557 -1.251 1.00 0.40 H new ATOM 949 N GLU A 65 -7.364 -5.251 0.387 1.00 0.27 N ATOM 950 CA GLU A 65 -8.413 -6.194 0.023 1.00 0.30 C ATOM 951 C GLU A 65 -9.409 -5.526 -0.924 1.00 0.37 C ATOM 952 O GLU A 65 -9.664 -6.032 -2.014 1.00 0.42 O ATOM 953 CB GLU A 65 -9.109 -6.719 1.287 1.00 0.31 C ATOM 954 CG GLU A 65 -8.286 -7.812 1.981 1.00 0.39 C ATOM 955 CD GLU A 65 -8.675 -9.204 1.490 1.00 0.68 C ATOM 956 OE1 GLU A 65 -9.710 -9.700 1.987 1.00 1.89 O ATOM 957 OE2 GLU A 65 -7.953 -9.737 0.622 1.00 1.51 O ATOM 0 H GLU A 65 -7.296 -5.083 1.391 1.00 0.27 H new ATOM 0 HA GLU A 65 -7.972 -7.045 -0.496 1.00 0.30 H new ATOM 0 HB2 GLU A 65 -9.274 -5.894 1.980 1.00 0.31 H new ATOM 0 HB3 GLU A 65 -10.090 -7.115 1.024 1.00 0.31 H new ATOM 0 HG2 GLU A 65 -7.225 -7.643 1.795 1.00 0.39 H new ATOM 0 HG3 GLU A 65 -8.434 -7.751 3.059 1.00 0.39 H new ATOM 964 N LYS A 66 -9.971 -4.374 -0.539 1.00 0.41 N ATOM 965 CA LYS A 66 -10.977 -3.704 -1.363 1.00 0.51 C ATOM 966 C LYS A 66 -10.465 -3.336 -2.762 1.00 0.55 C ATOM 967 O LYS A 66 -11.273 -3.184 -3.678 1.00 0.77 O ATOM 968 CB LYS A 66 -11.553 -2.467 -0.650 1.00 0.57 C ATOM 969 CG LYS A 66 -13.022 -2.644 -0.239 1.00 0.68 C ATOM 970 CD LYS A 66 -14.043 -2.775 -1.386 1.00 2.18 C ATOM 971 CE LYS A 66 -14.163 -1.529 -2.283 1.00 3.86 C ATOM 972 NZ LYS A 66 -13.335 -1.619 -3.505 1.00 5.55 N ATOM 0 H LYS A 66 -9.747 -3.892 0.331 1.00 0.41 H new ATOM 0 HA LYS A 66 -11.779 -4.429 -1.505 1.00 0.51 H new ATOM 0 HB2 LYS A 66 -10.956 -2.254 0.237 1.00 0.57 H new ATOM 0 HB3 LYS A 66 -11.467 -1.602 -1.307 1.00 0.57 H new ATOM 0 HG2 LYS A 66 -13.097 -3.532 0.388 1.00 0.68 H new ATOM 0 HG3 LYS A 66 -13.309 -1.793 0.378 1.00 0.68 H new ATOM 0 HD2 LYS A 66 -13.766 -3.628 -2.006 1.00 2.18 H new ATOM 0 HD3 LYS A 66 -15.022 -2.996 -0.960 1.00 2.18 H new ATOM 0 HE2 LYS A 66 -15.206 -1.390 -2.566 1.00 3.86 H new ATOM 0 HE3 LYS A 66 -13.867 -0.648 -1.714 1.00 3.86 H new ATOM 0 HZ1 LYS A 66 -12.781 -0.745 -3.614 1.00 5.55 H new ATOM 0 HZ2 LYS A 66 -12.689 -2.431 -3.428 1.00 5.55 H new ATOM 0 HZ3 LYS A 66 -13.951 -1.744 -4.333 1.00 5.55 H new ATOM 986 N LEU A 67 -9.166 -3.089 -2.924 1.00 0.44 N ATOM 987 CA LEU A 67 -8.518 -2.829 -4.204 1.00 0.45 C ATOM 988 C LEU A 67 -8.388 -4.106 -5.040 1.00 0.42 C ATOM 989 O LEU A 67 -8.172 -4.025 -6.246 1.00 0.46 O ATOM 990 CB LEU A 67 -7.166 -2.144 -3.971 1.00 0.44 C ATOM 991 CG LEU A 67 -7.358 -0.710 -3.446 1.00 0.59 C ATOM 992 CD1 LEU A 67 -6.119 -0.249 -2.677 1.00 0.64 C ATOM 993 CD2 LEU A 67 -7.649 0.279 -4.584 1.00 0.70 C ATOM 0 H LEU A 67 -8.515 -3.064 -2.139 1.00 0.44 H new ATOM 0 HA LEU A 67 -9.144 -2.151 -4.784 1.00 0.45 H new ATOM 0 HB2 LEU A 67 -6.580 -2.722 -3.256 1.00 0.44 H new ATOM 0 HB3 LEU A 67 -6.600 -2.121 -4.902 1.00 0.44 H new ATOM 0 HG LEU A 67 -8.218 -0.726 -2.777 1.00 0.59 H new ATOM 0 HD11 LEU A 67 -6.273 0.767 -2.314 1.00 0.64 H new ATOM 0 HD12 LEU A 67 -5.947 -0.915 -1.831 1.00 0.64 H new ATOM 0 HD13 LEU A 67 -5.252 -0.270 -3.337 1.00 0.64 H new ATOM 0 HD21 LEU A 67 -7.778 1.280 -4.172 1.00 0.70 H new ATOM 0 HD22 LEU A 67 -6.816 0.281 -5.287 1.00 0.70 H new ATOM 0 HD23 LEU A 67 -8.560 -0.020 -5.102 1.00 0.70 H new ATOM 1005 N GLY A 68 -8.506 -5.274 -4.404 1.00 0.40 N ATOM 1006 CA GLY A 68 -8.371 -6.574 -5.034 1.00 0.42 C ATOM 1007 C GLY A 68 -6.920 -7.038 -4.986 1.00 0.37 C ATOM 1008 O GLY A 68 -6.430 -7.609 -5.957 1.00 0.37 O ATOM 0 H GLY A 68 -8.704 -5.335 -3.405 1.00 0.40 H new ATOM 0 HA2 GLY A 68 -9.008 -7.299 -4.528 1.00 0.42 H new ATOM 0 HA3 GLY A 68 -8.709 -6.521 -6.069 1.00 0.42 H new ATOM 1012 N TYR A 69 -6.230 -6.786 -3.867 1.00 0.37 N ATOM 1013 CA TYR A 69 -4.839 -7.159 -3.675 1.00 0.33 C ATOM 1014 C TYR A 69 -4.643 -7.792 -2.303 1.00 0.30 C ATOM 1015 O TYR A 69 -5.565 -7.821 -1.494 1.00 0.30 O ATOM 1016 CB TYR A 69 -3.961 -5.915 -3.819 1.00 0.32 C ATOM 1017 CG TYR A 69 -3.048 -6.036 -5.010 1.00 0.33 C ATOM 1018 CD1 TYR A 69 -3.582 -5.890 -6.298 1.00 1.67 C ATOM 1019 CD2 TYR A 69 -1.685 -6.323 -4.839 1.00 1.78 C ATOM 1020 CE1 TYR A 69 -2.723 -5.816 -7.400 1.00 1.64 C ATOM 1021 CE2 TYR A 69 -0.823 -6.240 -5.943 1.00 1.83 C ATOM 1022 CZ TYR A 69 -1.337 -5.943 -7.219 1.00 0.44 C ATOM 1023 OH TYR A 69 -0.495 -5.661 -8.253 1.00 0.55 O ATOM 0 H TYR A 69 -6.636 -6.309 -3.062 1.00 0.37 H new ATOM 0 HA TYR A 69 -4.554 -7.892 -4.430 1.00 0.33 H new ATOM 0 HB2 TYR A 69 -4.590 -5.031 -3.927 1.00 0.32 H new ATOM 0 HB3 TYR A 69 -3.369 -5.776 -2.914 1.00 0.32 H new ATOM 0 HD1 TYR A 69 -4.651 -5.835 -6.439 1.00 1.67 H new ATOM 0 HD2 TYR A 69 -1.304 -6.605 -3.869 1.00 1.78 H new ATOM 0 HE1 TYR A 69 -3.126 -5.661 -8.390 1.00 1.64 H new ATOM 0 HE2 TYR A 69 0.237 -6.404 -5.813 1.00 1.83 H new ATOM 0 HH TYR A 69 -0.899 -4.977 -8.827 1.00 0.55 H new ATOM 1033 N HIS A 70 -3.421 -8.262 -2.038 1.00 0.29 N ATOM 1034 CA HIS A 70 -3.009 -8.741 -0.731 1.00 0.28 C ATOM 1035 C HIS A 70 -1.552 -8.323 -0.529 1.00 0.28 C ATOM 1036 O HIS A 70 -0.764 -8.392 -1.475 1.00 0.50 O ATOM 1037 CB HIS A 70 -3.195 -10.265 -0.655 1.00 0.35 C ATOM 1038 CG HIS A 70 -3.745 -10.777 0.656 1.00 0.79 C ATOM 1039 ND1 HIS A 70 -4.556 -11.881 0.794 1.00 2.25 N ATOM 1040 CD2 HIS A 70 -3.589 -10.230 1.905 1.00 1.81 C ATOM 1041 CE1 HIS A 70 -4.874 -11.994 2.094 1.00 2.13 C ATOM 1042 NE2 HIS A 70 -4.299 -11.018 2.814 1.00 1.67 N ATOM 0 H HIS A 70 -2.684 -8.318 -2.741 1.00 0.29 H new ATOM 0 HA HIS A 70 -3.616 -8.311 0.065 1.00 0.28 H new ATOM 0 HB2 HIS A 70 -3.864 -10.575 -1.458 1.00 0.35 H new ATOM 0 HB3 HIS A 70 -2.233 -10.743 -0.839 1.00 0.35 H new ATOM 0 HD2 HIS A 70 -3.017 -9.345 2.143 1.00 1.81 H new ATOM 0 HE1 HIS A 70 -5.507 -12.766 2.505 1.00 2.13 H new ATOM 0 HE2 HIS A 70 -4.367 -10.880 3.822 1.00 1.67 H new ATOM 1050 N VAL A 71 -1.213 -7.869 0.681 1.00 0.31 N ATOM 1051 CA VAL A 71 0.124 -7.454 1.077 1.00 0.33 C ATOM 1052 C VAL A 71 0.586 -8.376 2.210 1.00 0.45 C ATOM 1053 O VAL A 71 -0.184 -8.661 3.126 1.00 0.79 O ATOM 1054 CB VAL A 71 0.110 -5.956 1.441 1.00 0.49 C ATOM 1055 CG1 VAL A 71 -0.623 -5.648 2.754 1.00 1.37 C ATOM 1056 CG2 VAL A 71 1.510 -5.358 1.522 1.00 1.32 C ATOM 0 H VAL A 71 -1.893 -7.779 1.436 1.00 0.31 H new ATOM 0 HA VAL A 71 0.846 -7.552 0.266 1.00 0.33 H new ATOM 0 HB VAL A 71 -0.439 -5.494 0.621 1.00 0.49 H new ATOM 0 HG11 VAL A 71 -0.592 -4.575 2.945 1.00 1.37 H new ATOM 0 HG12 VAL A 71 -1.661 -5.973 2.676 1.00 1.37 H new ATOM 0 HG13 VAL A 71 -0.138 -6.177 3.574 1.00 1.37 H new ATOM 0 HG21 VAL A 71 1.440 -4.302 1.781 1.00 1.32 H new ATOM 0 HG22 VAL A 71 2.086 -5.882 2.285 1.00 1.32 H new ATOM 0 HG23 VAL A 71 2.007 -5.463 0.557 1.00 1.32 H new ATOM 1066 N VAL A 72 1.817 -8.882 2.118 1.00 0.38 N ATOM 1067 CA VAL A 72 2.444 -9.777 3.073 1.00 0.41 C ATOM 1068 C VAL A 72 3.396 -8.973 3.958 1.00 0.42 C ATOM 1069 O VAL A 72 4.098 -8.070 3.500 1.00 0.39 O ATOM 1070 CB VAL A 72 3.171 -10.911 2.346 1.00 0.44 C ATOM 1071 CG1 VAL A 72 3.755 -11.938 3.328 1.00 0.52 C ATOM 1072 CG2 VAL A 72 2.235 -11.637 1.368 1.00 0.59 C ATOM 0 H VAL A 72 2.429 -8.663 1.332 1.00 0.38 H new ATOM 0 HA VAL A 72 1.684 -10.236 3.705 1.00 0.41 H new ATOM 0 HB VAL A 72 3.987 -10.447 1.792 1.00 0.44 H new ATOM 0 HG11 VAL A 72 4.262 -12.726 2.771 1.00 0.52 H new ATOM 0 HG12 VAL A 72 4.467 -11.445 3.990 1.00 0.52 H new ATOM 0 HG13 VAL A 72 2.950 -12.373 3.921 1.00 0.52 H new ATOM 0 HG21 VAL A 72 2.781 -12.437 0.868 1.00 0.59 H new ATOM 0 HG22 VAL A 72 1.393 -12.060 1.916 1.00 0.59 H new ATOM 0 HG23 VAL A 72 1.866 -10.930 0.625 1.00 0.59 H new ATOM 1082 N ILE A 73 3.420 -9.316 5.242 1.00 0.51 N ATOM 1083 CA ILE A 73 4.167 -8.597 6.265 1.00 0.60 C ATOM 1084 C ILE A 73 5.479 -9.340 6.530 1.00 0.70 C ATOM 1085 O ILE A 73 5.668 -9.937 7.585 1.00 0.80 O ATOM 1086 CB ILE A 73 3.311 -8.411 7.525 1.00 0.64 C ATOM 1087 CG1 ILE A 73 1.896 -7.883 7.215 1.00 0.93 C ATOM 1088 CG2 ILE A 73 4.026 -7.478 8.517 1.00 0.74 C ATOM 1089 CD1 ILE A 73 1.821 -6.618 6.348 1.00 0.86 C ATOM 0 H ILE A 73 2.909 -10.120 5.607 1.00 0.51 H new ATOM 0 HA ILE A 73 4.417 -7.593 5.923 1.00 0.60 H new ATOM 0 HB ILE A 73 3.186 -9.396 7.974 1.00 0.64 H new ATOM 0 HG12 ILE A 73 1.336 -8.674 6.716 1.00 0.93 H new ATOM 0 HG13 ILE A 73 1.390 -7.682 8.160 1.00 0.93 H new ATOM 0 HG21 ILE A 73 3.410 -7.353 9.407 1.00 0.74 H new ATOM 0 HG22 ILE A 73 4.986 -7.912 8.798 1.00 0.74 H new ATOM 0 HG23 ILE A 73 4.190 -6.507 8.050 1.00 0.74 H new ATOM 0 HD11 ILE A 73 0.777 -6.342 6.197 1.00 0.86 H new ATOM 0 HD12 ILE A 73 2.344 -5.803 6.848 1.00 0.86 H new ATOM 0 HD13 ILE A 73 2.289 -6.810 5.382 1.00 0.86 H new