USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 761 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.0834 (180deg=-0.304) USER MOD Single : A 6 LYS NZ :NH3+ -97:sc= 0.869 (180deg=-0.989) USER MOD Single : A 8 HIS : no HD1:sc= -1.3 K(o=-1.3,f=-2.7!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -11:sc= -2.07 USER MOD Single : A 12 HIS : no HD1:sc= -0.536 X(o=-0.54,f=-0.26) USER MOD Single : A 23 THR OG1 : rot -90:sc= -1.09 USER MOD Single : A 25 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00799) USER MOD Single : A 27 TYR OH : rot -179:sc= -0.794 USER MOD Single : A 31 GLN : amide:sc= -0.0868 X(o=-0.087,f=-0.15) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 158:sc= -0.0972 (180deg=-0.635) USER MOD Single : A 42 TYR OH : rot 165:sc= -0.395 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 170:sc= -2.31 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.31) USER MOD Single : A 61 SER OG : rot -130:sc= -0.198 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.027 X(o=-0.027,f=-0.29) USER MOD Single : A 88 TYR OH : rot 174:sc= 0.0867 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.0323 K(o=-0.032,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 83.058 14.313 0.711 1.00 1.31 N ATOM 2 CA MET A 1 83.341 14.062 -0.732 1.00 0.79 C ATOM 3 C MET A 1 82.067 14.228 -1.562 1.00 0.68 C ATOM 4 O MET A 1 81.023 14.588 -1.050 1.00 0.82 O ATOM 5 CB MET A 1 83.834 12.617 -0.797 1.00 1.18 C ATOM 6 CG MET A 1 85.267 12.548 -0.273 1.00 1.69 C ATOM 7 SD MET A 1 85.886 10.854 -0.432 1.00 2.57 S ATOM 8 CE MET A 1 87.466 11.110 0.415 1.00 2.76 C ATOM 0 H1 MET A 1 83.652 15.096 1.050 1.00 1.31 H new ATOM 0 H2 MET A 1 82.055 14.563 0.830 1.00 1.31 H new ATOM 0 H3 MET A 1 83.269 13.455 1.260 1.00 1.31 H new ATOM 0 HA MET A 1 84.074 14.762 -1.132 1.00 0.79 H new ATOM 0 HB2 MET A 1 83.186 11.973 -0.203 1.00 1.18 H new ATOM 0 HB3 MET A 1 83.792 12.252 -1.823 1.00 1.18 H new ATOM 0 HG2 MET A 1 85.904 13.233 -0.833 1.00 1.69 H new ATOM 0 HG3 MET A 1 85.300 12.862 0.770 1.00 1.69 H new ATOM 0 HE1 MET A 1 88.025 10.174 0.434 1.00 2.76 H new ATOM 0 HE2 MET A 1 88.044 11.867 -0.115 1.00 2.76 H new ATOM 0 HE3 MET A 1 87.282 11.443 1.436 1.00 2.76 H new ATOM 20 N ASP A 2 82.149 13.944 -2.837 1.00 0.57 N ATOM 21 CA ASP A 2 80.946 14.055 -3.719 1.00 0.50 C ATOM 22 C ASP A 2 80.027 12.851 -3.507 1.00 0.41 C ATOM 23 O ASP A 2 80.482 11.725 -3.416 1.00 0.38 O ATOM 24 CB ASP A 2 81.494 14.064 -5.149 1.00 0.54 C ATOM 25 CG ASP A 2 82.355 15.313 -5.372 1.00 0.92 C ATOM 26 OD1 ASP A 2 82.091 16.320 -4.733 1.00 1.37 O ATOM 27 OD2 ASP A 2 83.263 15.242 -6.183 1.00 1.70 O ATOM 0 H ASP A 2 83.001 13.639 -3.308 1.00 0.57 H new ATOM 0 HA ASP A 2 80.360 14.949 -3.504 1.00 0.50 H new ATOM 0 HB2 ASP A 2 82.087 13.167 -5.326 1.00 0.54 H new ATOM 0 HB3 ASP A 2 80.671 14.047 -5.863 1.00 0.54 H new ATOM 32 N VAL A 3 78.736 13.078 -3.471 1.00 0.40 N ATOM 33 CA VAL A 3 77.776 11.954 -3.315 1.00 0.33 C ATOM 34 C VAL A 3 76.702 12.042 -4.410 1.00 0.31 C ATOM 35 O VAL A 3 76.193 13.110 -4.700 1.00 0.37 O ATOM 36 CB VAL A 3 77.205 12.127 -1.886 1.00 0.36 C ATOM 37 CG1 VAL A 3 76.107 13.204 -1.820 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.632 10.794 -1.402 1.00 0.30 C ATOM 0 H VAL A 3 78.309 14.001 -3.544 1.00 0.40 H new ATOM 0 HA VAL A 3 78.226 10.968 -3.427 1.00 0.33 H new ATOM 0 HB VAL A 3 78.024 12.450 -1.244 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.739 13.287 -0.797 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.518 14.163 -2.137 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.285 12.926 -2.480 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.230 10.915 -0.396 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.836 10.474 -2.075 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.421 10.042 -1.390 1.00 0.30 H new ATOM 48 N LEU A 4 76.376 10.937 -5.020 1.00 0.26 N ATOM 49 CA LEU A 4 75.352 10.952 -6.110 1.00 0.28 C ATOM 50 C LEU A 4 73.934 10.913 -5.515 1.00 0.28 C ATOM 51 O LEU A 4 72.983 11.336 -6.143 1.00 0.30 O ATOM 52 CB LEU A 4 75.632 9.699 -6.963 1.00 0.27 C ATOM 53 CG LEU A 4 77.123 9.618 -7.375 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.314 8.465 -8.359 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.584 10.930 -8.035 1.00 0.37 C ATOM 0 H LEU A 4 76.773 10.021 -4.813 1.00 0.26 H new ATOM 0 HA LEU A 4 75.411 11.859 -6.711 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.359 8.806 -6.401 1.00 0.27 H new ATOM 0 HB3 LEU A 4 75.007 9.717 -7.856 1.00 0.27 H new ATOM 0 HG LEU A 4 77.721 9.451 -6.479 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.363 8.406 -8.651 1.00 0.36 H new ATOM 0 HD12 LEU A 4 77.015 7.530 -7.886 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.700 8.636 -9.244 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.634 10.847 -8.315 1.00 0.37 H new ATOM 0 HD22 LEU A 4 76.985 11.119 -8.926 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.460 11.754 -7.332 1.00 0.37 H new ATOM 67 N ALA A 5 73.801 10.474 -4.281 1.00 0.25 N ATOM 68 CA ALA A 5 72.466 10.480 -3.605 1.00 0.25 C ATOM 69 C ALA A 5 72.644 10.110 -2.132 1.00 0.23 C ATOM 70 O ALA A 5 73.610 9.467 -1.766 1.00 0.25 O ATOM 71 CB ALA A 5 71.631 9.421 -4.330 1.00 0.26 C ATOM 0 H ALA A 5 74.567 10.111 -3.713 1.00 0.25 H new ATOM 0 HA ALA A 5 71.984 11.457 -3.645 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.638 9.373 -3.884 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.543 9.686 -5.384 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.117 8.450 -4.239 1.00 0.26 H new ATOM 77 N LYS A 6 71.757 10.560 -1.282 1.00 0.22 N ATOM 78 CA LYS A 6 71.909 10.293 0.182 1.00 0.22 C ATOM 79 C LYS A 6 70.577 9.826 0.776 1.00 0.21 C ATOM 80 O LYS A 6 69.563 10.485 0.627 1.00 0.23 O ATOM 81 CB LYS A 6 72.320 11.640 0.772 1.00 0.24 C ATOM 82 CG LYS A 6 72.702 11.463 2.240 1.00 1.40 C ATOM 83 CD LYS A 6 73.171 12.803 2.808 1.00 1.50 C ATOM 84 CE LYS A 6 74.061 12.557 4.028 1.00 1.79 C ATOM 85 NZ LYS A 6 73.696 13.629 4.994 1.00 2.30 N ATOM 0 H LYS A 6 70.932 11.102 -1.538 1.00 0.22 H new ATOM 0 HA LYS A 6 72.637 9.510 0.394 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.161 12.051 0.214 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.500 12.353 0.683 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.848 11.094 2.808 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.493 10.719 2.334 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.722 13.359 2.049 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.312 13.412 3.088 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.886 11.568 4.451 1.00 1.79 H new ATOM 0 HE3 LYS A 6 75.117 12.608 3.763 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.374 14.413 4.915 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 72.739 13.976 4.782 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 73.719 13.247 5.961 1.00 2.30 H new ATOM 99 N PHE A 7 70.570 8.692 1.440 1.00 0.19 N ATOM 100 CA PHE A 7 69.297 8.178 2.039 1.00 0.19 C ATOM 101 C PHE A 7 69.584 7.328 3.285 1.00 0.17 C ATOM 102 O PHE A 7 70.708 6.942 3.533 1.00 0.16 O ATOM 103 CB PHE A 7 68.645 7.351 0.920 1.00 0.20 C ATOM 104 CG PHE A 7 69.514 6.167 0.546 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.726 6.368 -0.196 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.119 4.842 0.930 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.544 5.243 -0.552 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.937 3.718 0.572 1.00 0.20 C ATOM 109 CZ PHE A 7 71.148 3.917 -0.167 1.00 0.20 C ATOM 0 H PHE A 7 71.389 8.103 1.592 1.00 0.19 H new ATOM 0 HA PHE A 7 68.641 8.980 2.378 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.666 7.000 1.245 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.484 7.980 0.044 1.00 0.20 H new ATOM 0 HD1 PHE A 7 71.023 7.365 -0.486 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.207 4.690 1.488 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.457 5.394 -1.109 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.639 2.721 0.860 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.763 3.070 -0.435 1.00 0.20 H new ATOM 119 N HIS A 8 68.581 7.092 4.097 1.00 0.18 N ATOM 120 CA HIS A 8 68.793 6.330 5.369 1.00 0.18 C ATOM 121 C HIS A 8 68.056 4.987 5.315 1.00 0.17 C ATOM 122 O HIS A 8 66.921 4.910 4.884 1.00 0.18 O ATOM 123 CB HIS A 8 68.199 7.219 6.462 1.00 0.20 C ATOM 124 CG HIS A 8 68.972 8.507 6.541 1.00 0.77 C ATOM 125 ND1 HIS A 8 68.633 9.620 5.786 1.00 1.41 N ATOM 126 CD2 HIS A 8 70.067 8.877 7.282 1.00 1.61 C ATOM 127 CE1 HIS A 8 69.508 10.596 6.088 1.00 1.81 C ATOM 128 NE2 HIS A 8 70.403 10.196 6.994 1.00 1.99 N ATOM 0 H HIS A 8 67.621 7.396 3.933 1.00 0.18 H new ATOM 0 HA HIS A 8 69.845 6.107 5.546 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.150 7.425 6.247 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.232 6.704 7.422 1.00 0.20 H new ATOM 0 HD2 HIS A 8 70.588 8.241 7.982 1.00 1.61 H new ATOM 0 HE1 HIS A 8 69.489 11.583 5.651 1.00 1.81 H new ATOM 0 HE2 HIS A 8 71.169 10.741 7.390 1.00 1.99 H new ATOM 136 N THR A 9 68.683 3.944 5.794 1.00 0.16 N ATOM 137 CA THR A 9 68.022 2.602 5.831 1.00 0.17 C ATOM 138 C THR A 9 68.593 1.775 6.996 1.00 0.16 C ATOM 139 O THR A 9 69.676 2.053 7.471 1.00 0.15 O ATOM 140 CB THR A 9 68.326 1.962 4.460 1.00 0.17 C ATOM 141 OG1 THR A 9 67.570 0.768 4.323 1.00 0.18 O ATOM 142 CG2 THR A 9 69.821 1.636 4.325 1.00 0.17 C ATOM 0 H THR A 9 69.633 3.963 6.165 1.00 0.16 H new ATOM 0 HA THR A 9 66.946 2.661 5.997 1.00 0.17 H new ATOM 0 HB THR A 9 68.055 2.671 3.678 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.759 0.359 3.453 1.00 0.18 H new ATOM 0 HG21 THR A 9 70.009 1.186 3.350 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.403 2.553 4.420 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.113 0.938 5.109 1.00 0.17 H new ATOM 150 N THR A 10 67.911 0.731 7.408 1.00 0.17 N ATOM 151 CA THR A 10 68.469 -0.146 8.488 1.00 0.17 C ATOM 152 C THR A 10 68.867 -1.510 7.902 1.00 0.17 C ATOM 153 O THR A 10 68.429 -1.883 6.829 1.00 0.17 O ATOM 154 CB THR A 10 67.359 -0.259 9.566 1.00 0.17 C ATOM 155 OG1 THR A 10 67.921 -0.752 10.769 1.00 0.17 O ATOM 156 CG2 THR A 10 66.231 -1.207 9.137 1.00 0.17 C ATOM 0 H THR A 10 67.000 0.450 7.046 1.00 0.17 H new ATOM 0 HA THR A 10 69.375 0.264 8.933 1.00 0.17 H new ATOM 0 HB THR A 10 66.938 0.737 9.705 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.832 -1.070 10.598 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.477 -1.255 9.923 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.775 -0.838 8.218 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.639 -2.203 8.965 1.00 0.17 H new ATOM 164 N VAL A 11 69.733 -2.219 8.578 1.00 0.17 N ATOM 165 CA VAL A 11 70.221 -3.526 8.040 1.00 0.17 C ATOM 166 C VAL A 11 69.185 -4.623 8.294 1.00 0.17 C ATOM 167 O VAL A 11 68.669 -4.761 9.385 1.00 0.17 O ATOM 168 CB VAL A 11 71.523 -3.824 8.798 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.122 -5.144 8.295 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.530 -2.685 8.569 1.00 0.49 C ATOM 0 H VAL A 11 70.125 -1.950 9.481 1.00 0.17 H new ATOM 0 HA VAL A 11 70.385 -3.487 6.963 1.00 0.17 H new ATOM 0 HB VAL A 11 71.306 -3.906 9.863 1.00 0.21 H new ATOM 0 HG11 VAL A 11 73.046 -5.353 8.834 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.412 -5.954 8.464 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.334 -5.064 7.229 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.452 -2.901 9.109 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.745 -2.598 7.504 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.108 -1.748 8.932 1.00 0.49 H new ATOM 180 N HIS A 12 68.946 -5.445 7.309 1.00 0.21 N ATOM 181 CA HIS A 12 68.024 -6.605 7.483 1.00 0.25 C ATOM 182 C HIS A 12 68.803 -7.910 7.349 1.00 0.25 C ATOM 183 O HIS A 12 69.985 -7.914 7.062 1.00 0.25 O ATOM 184 CB HIS A 12 66.978 -6.494 6.376 1.00 0.26 C ATOM 185 CG HIS A 12 65.859 -5.603 6.838 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.062 -4.271 7.160 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.523 -5.840 7.043 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.876 -3.761 7.541 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.904 -4.676 7.488 1.00 0.56 N ATOM 0 H HIS A 12 69.356 -5.361 6.379 1.00 0.21 H new ATOM 0 HA HIS A 12 67.555 -6.600 8.467 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.431 -6.089 5.471 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.592 -7.482 6.124 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.027 -6.786 6.883 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.728 -2.737 7.852 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.920 -4.549 7.723 1.00 0.56 H new ATOM 197 N ARG A 13 68.164 -9.014 7.638 1.00 0.29 N ATOM 198 CA ARG A 13 68.862 -10.348 7.623 1.00 0.32 C ATOM 199 C ARG A 13 69.724 -10.535 6.358 1.00 0.29 C ATOM 200 O ARG A 13 69.513 -9.891 5.350 1.00 0.24 O ATOM 201 CB ARG A 13 67.726 -11.370 7.634 1.00 0.36 C ATOM 202 CG ARG A 13 67.029 -11.350 8.995 1.00 0.72 C ATOM 203 CD ARG A 13 65.959 -12.446 9.038 1.00 1.16 C ATOM 204 NE ARG A 13 65.200 -12.202 10.306 1.00 1.81 N ATOM 205 CZ ARG A 13 64.484 -13.153 10.882 1.00 2.39 C ATOM 206 NH1 ARG A 13 64.396 -14.365 10.374 1.00 2.96 N ATOM 207 NH2 ARG A 13 63.844 -12.883 11.986 1.00 2.76 N ATOM 0 H ARG A 13 67.176 -9.055 7.888 1.00 0.29 H new ATOM 0 HA ARG A 13 69.544 -10.449 8.468 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.010 -11.141 6.844 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.118 -12.366 7.430 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.757 -11.507 9.791 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.573 -10.375 9.168 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.303 -12.391 8.169 1.00 1.16 H new ATOM 0 HD3 ARG A 13 66.411 -13.438 9.034 1.00 1.16 H new ATOM 0 HE ARG A 13 65.236 -11.278 10.737 1.00 1.81 H new ATOM 0 HH11 ARG A 13 64.889 -14.593 9.511 1.00 2.96 H new ATOM 0 HH12 ARG A 13 63.835 -15.075 10.844 1.00 2.96 H new ATOM 0 HH21 ARG A 13 63.900 -11.949 12.393 1.00 2.76 H new ATOM 0 HH22 ARG A 13 63.287 -13.606 12.443 1.00 2.76 H new ATOM 221 N ILE A 14 70.760 -11.339 6.458 1.00 0.34 N ATOM 222 CA ILE A 14 71.745 -11.533 5.326 1.00 0.34 C ATOM 223 C ILE A 14 72.497 -10.233 4.967 1.00 0.28 C ATOM 224 O ILE A 14 73.234 -10.209 3.997 1.00 0.29 O ATOM 225 CB ILE A 14 70.939 -12.021 4.105 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.106 -13.253 4.476 1.00 0.31 C ATOM 227 CG2 ILE A 14 71.906 -12.398 2.982 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.091 -13.527 3.364 1.00 0.36 C ATOM 0 H ILE A 14 70.973 -11.884 7.294 1.00 0.34 H new ATOM 0 HA ILE A 14 72.503 -12.255 5.631 1.00 0.34 H new ATOM 0 HB ILE A 14 70.273 -11.222 3.779 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.755 -14.118 4.614 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.591 -13.087 5.422 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.341 -12.744 2.116 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.499 -11.526 2.704 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.569 -13.193 3.324 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.496 -14.403 3.623 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.436 -12.664 3.249 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.618 -13.710 2.428 1.00 0.36 H new ATOM 240 N GLY A 15 72.340 -9.165 5.725 1.00 0.24 N ATOM 241 CA GLY A 15 73.071 -7.899 5.403 1.00 0.20 C ATOM 242 C GLY A 15 72.388 -7.171 4.234 1.00 0.17 C ATOM 243 O GLY A 15 72.994 -6.331 3.591 1.00 0.15 O ATOM 0 H GLY A 15 71.739 -9.120 6.548 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.094 -7.252 6.280 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.106 -8.124 5.145 1.00 0.20 H new ATOM 247 N ARG A 16 71.163 -7.528 3.910 1.00 0.18 N ATOM 248 CA ARG A 16 70.476 -6.900 2.739 1.00 0.18 C ATOM 249 C ARG A 16 69.788 -5.599 3.160 1.00 0.19 C ATOM 250 O ARG A 16 69.168 -5.531 4.204 1.00 0.24 O ATOM 251 CB ARG A 16 69.445 -7.939 2.292 1.00 0.26 C ATOM 252 CG ARG A 16 68.695 -7.434 1.057 1.00 0.26 C ATOM 253 CD ARG A 16 67.613 -8.451 0.670 1.00 0.76 C ATOM 254 NE ARG A 16 68.348 -9.710 0.315 1.00 0.91 N ATOM 255 CZ ARG A 16 67.709 -10.804 -0.065 1.00 1.31 C ATOM 256 NH1 ARG A 16 66.397 -10.848 -0.154 1.00 1.96 N ATOM 257 NH2 ARG A 16 68.400 -11.870 -0.360 1.00 1.41 N ATOM 0 H ARG A 16 70.613 -8.227 4.408 1.00 0.18 H new ATOM 0 HA ARG A 16 71.169 -6.640 1.939 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.942 -8.882 2.065 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.741 -8.136 3.100 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.242 -6.464 1.264 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.389 -7.291 0.229 1.00 0.26 H new ATOM 0 HD2 ARG A 16 66.922 -8.621 1.496 1.00 0.76 H new ATOM 0 HD3 ARG A 16 67.022 -8.092 -0.172 1.00 0.76 H new ATOM 0 HE ARG A 16 69.367 -9.723 0.368 1.00 0.91 H new ATOM 0 HH11 ARG A 16 65.842 -10.023 0.073 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.934 -11.707 -0.450 1.00 1.96 H new ATOM 0 HH21 ARG A 16 69.418 -11.852 -0.296 1.00 1.41 H new ATOM 0 HH22 ARG A 16 67.923 -12.722 -0.655 1.00 1.41 H new ATOM 271 N ILE A 17 69.788 -4.614 2.295 1.00 0.18 N ATOM 272 CA ILE A 17 69.002 -3.370 2.562 1.00 0.21 C ATOM 273 C ILE A 17 68.188 -2.999 1.318 1.00 0.19 C ATOM 274 O ILE A 17 68.585 -3.301 0.208 1.00 0.15 O ATOM 275 CB ILE A 17 70.038 -2.283 2.896 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.985 -2.066 1.708 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.853 -2.710 4.119 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.796 -0.781 1.914 1.00 0.30 C ATOM 0 H ILE A 17 70.300 -4.619 1.413 1.00 0.18 H new ATOM 0 HA ILE A 17 68.294 -3.494 3.382 1.00 0.21 H new ATOM 0 HB ILE A 17 69.513 -1.352 3.108 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.657 -2.918 1.607 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.412 -2.001 0.783 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.587 -1.939 4.355 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.186 -2.849 4.970 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.367 -3.647 3.905 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.466 -0.634 1.067 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.118 0.069 1.992 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.382 -0.863 2.830 1.00 0.30 H new ATOM 290 N ILE A 18 67.099 -2.291 1.489 1.00 0.23 N ATOM 291 CA ILE A 18 66.309 -1.831 0.305 1.00 0.20 C ATOM 292 C ILE A 18 66.307 -0.307 0.240 1.00 0.20 C ATOM 293 O ILE A 18 65.931 0.359 1.188 1.00 0.22 O ATOM 294 CB ILE A 18 64.878 -2.348 0.520 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.877 -3.875 0.731 1.00 0.25 C ATOM 296 CG2 ILE A 18 64.025 -1.998 -0.704 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.521 -4.586 -0.466 1.00 0.24 C ATOM 0 H ILE A 18 66.723 -2.012 2.395 1.00 0.23 H new ATOM 0 HA ILE A 18 66.733 -2.204 -0.627 1.00 0.20 H new ATOM 0 HB ILE A 18 64.463 -1.875 1.410 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.421 -4.122 1.643 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.855 -4.229 0.864 1.00 0.25 H new ATOM 0 HG21 ILE A 18 63.009 -2.363 -0.556 1.00 0.22 H new ATOM 0 HG22 ILE A 18 64.006 -0.916 -0.837 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.453 -2.465 -1.591 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.511 -5.663 -0.298 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.960 -4.355 -1.371 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.550 -4.246 -0.580 1.00 0.24 H new ATOM 309 N ILE A 19 66.648 0.244 -0.899 1.00 0.17 N ATOM 310 CA ILE A 19 66.579 1.728 -1.063 1.00 0.17 C ATOM 311 C ILE A 19 65.127 2.145 -1.326 1.00 0.19 C ATOM 312 O ILE A 19 64.428 1.465 -2.049 1.00 0.17 O ATOM 313 CB ILE A 19 67.475 2.056 -2.270 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.906 1.552 -1.974 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.472 3.580 -2.488 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.892 1.994 -3.061 1.00 0.23 C ATOM 0 H ILE A 19 66.970 -0.269 -1.720 1.00 0.17 H new ATOM 0 HA ILE A 19 66.914 2.262 -0.173 1.00 0.17 H new ATOM 0 HB ILE A 19 67.106 1.569 -3.172 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.234 1.932 -1.007 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.903 0.464 -1.904 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.104 3.827 -3.341 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.454 3.918 -2.681 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.856 4.076 -1.597 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.888 1.623 -2.821 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.577 1.592 -4.024 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.913 3.083 -3.112 1.00 0.23 H new ATOM 328 N PRO A 20 64.733 3.300 -0.827 1.00 0.24 N ATOM 329 CA PRO A 20 63.378 3.825 -1.146 1.00 0.28 C ATOM 330 C PRO A 20 63.269 4.093 -2.640 1.00 0.26 C ATOM 331 O PRO A 20 64.224 4.507 -3.271 1.00 0.25 O ATOM 332 CB PRO A 20 63.308 5.127 -0.357 1.00 0.34 C ATOM 333 CG PRO A 20 64.739 5.516 -0.203 1.00 0.35 C ATOM 334 CD PRO A 20 65.465 4.229 0.055 1.00 0.29 C ATOM 0 HA PRO A 20 62.572 3.136 -0.892 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.740 5.889 -0.890 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.824 4.986 0.609 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.113 6.007 -1.101 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.871 6.216 0.622 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.522 4.295 -0.204 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.411 3.930 1.102 1.00 0.29 H new ATOM 342 N ALA A 21 62.120 3.847 -3.209 1.00 0.28 N ATOM 343 CA ALA A 21 61.943 4.058 -4.681 1.00 0.29 C ATOM 344 C ALA A 21 62.280 5.505 -5.060 1.00 0.31 C ATOM 345 O ALA A 21 62.667 5.788 -6.179 1.00 0.32 O ATOM 346 CB ALA A 21 60.466 3.764 -4.960 1.00 0.33 C ATOM 0 H ALA A 21 61.292 3.508 -2.719 1.00 0.28 H new ATOM 0 HA ALA A 21 62.602 3.415 -5.264 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.263 3.899 -6.022 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.239 2.737 -4.675 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.844 4.447 -4.382 1.00 0.33 H new ATOM 352 N GLY A 22 62.124 6.423 -4.133 1.00 0.34 N ATOM 353 CA GLY A 22 62.414 7.857 -4.439 1.00 0.38 C ATOM 354 C GLY A 22 63.899 8.035 -4.753 1.00 0.37 C ATOM 355 O GLY A 22 64.264 8.714 -5.700 1.00 0.39 O ATOM 0 H GLY A 22 61.809 6.239 -3.181 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.813 8.185 -5.287 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.136 8.482 -3.590 1.00 0.38 H new ATOM 359 N THR A 23 64.757 7.435 -3.965 1.00 0.34 N ATOM 360 CA THR A 23 66.226 7.578 -4.210 1.00 0.34 C ATOM 361 C THR A 23 66.618 6.842 -5.491 1.00 0.30 C ATOM 362 O THR A 23 67.455 7.303 -6.244 1.00 0.32 O ATOM 363 CB THR A 23 66.911 6.951 -2.993 1.00 0.34 C ATOM 364 OG1 THR A 23 66.467 7.608 -1.814 1.00 0.39 O ATOM 365 CG2 THR A 23 68.430 7.103 -3.121 1.00 0.37 C ATOM 0 H THR A 23 64.505 6.854 -3.165 1.00 0.34 H new ATOM 0 HA THR A 23 66.520 8.620 -4.337 1.00 0.34 H new ATOM 0 HB THR A 23 66.658 5.892 -2.940 1.00 0.34 H new ATOM 0 HG1 THR A 23 67.058 8.365 -1.619 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.915 6.656 -2.253 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.771 6.601 -4.026 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.687 8.161 -3.175 1.00 0.37 H new ATOM 373 N ARG A 24 66.004 5.710 -5.760 1.00 0.26 N ATOM 374 CA ARG A 24 66.330 4.950 -7.020 1.00 0.25 C ATOM 375 C ARG A 24 66.118 5.852 -8.240 1.00 0.28 C ATOM 376 O ARG A 24 66.891 5.836 -9.176 1.00 0.29 O ATOM 377 CB ARG A 24 65.361 3.759 -7.108 1.00 0.25 C ATOM 378 CG ARG A 24 65.294 2.986 -5.790 1.00 0.23 C ATOM 379 CD ARG A 24 64.944 1.526 -6.073 1.00 0.24 C ATOM 380 NE ARG A 24 64.187 1.069 -4.866 1.00 0.27 N ATOM 381 CZ ARG A 24 63.348 0.049 -4.915 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.128 -0.624 -6.023 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.721 -0.300 -3.827 1.00 0.39 N ATOM 0 H ARG A 24 65.295 5.279 -5.167 1.00 0.26 H new ATOM 0 HA ARG A 24 67.367 4.615 -7.002 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.366 4.118 -7.370 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.679 3.089 -7.907 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.250 3.048 -5.271 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.546 3.430 -5.133 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.341 1.433 -6.976 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.842 0.927 -6.226 1.00 0.24 H new ATOM 0 HE ARG A 24 64.322 1.558 -3.981 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.612 -0.364 -6.882 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.473 -1.406 -6.023 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.882 0.211 -2.959 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.069 -1.084 -3.843 1.00 0.39 H new ATOM 397 N LYS A 25 65.042 6.603 -8.240 1.00 0.32 N ATOM 398 CA LYS A 25 64.734 7.479 -9.416 1.00 0.37 C ATOM 399 C LYS A 25 65.785 8.576 -9.545 1.00 0.38 C ATOM 400 O LYS A 25 66.332 8.801 -10.607 1.00 0.40 O ATOM 401 CB LYS A 25 63.373 8.099 -9.112 1.00 0.42 C ATOM 402 CG LYS A 25 62.309 7.008 -9.097 1.00 1.08 C ATOM 403 CD LYS A 25 60.962 7.632 -8.743 1.00 1.68 C ATOM 404 CE LYS A 25 59.911 6.531 -8.585 1.00 2.42 C ATOM 405 NZ LYS A 25 59.449 6.240 -9.970 1.00 2.97 N ATOM 0 H LYS A 25 64.365 6.647 -7.478 1.00 0.32 H new ATOM 0 HA LYS A 25 64.731 6.917 -10.350 1.00 0.37 H new ATOM 0 HB2 LYS A 25 63.401 8.608 -8.149 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.128 8.850 -9.863 1.00 0.42 H new ATOM 0 HG2 LYS A 25 62.254 6.522 -10.071 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.570 6.238 -8.371 1.00 1.08 H new ATOM 0 HD2 LYS A 25 61.046 8.203 -7.819 1.00 1.68 H new ATOM 0 HD3 LYS A 25 60.657 8.330 -9.523 1.00 1.68 H new ATOM 0 HE2 LYS A 25 60.336 5.644 -8.116 1.00 2.42 H new ATOM 0 HE3 LYS A 25 59.085 6.861 -7.954 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 58.678 5.542 -9.939 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 59.106 7.116 -10.413 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 60.240 5.858 -10.527 1.00 2.97 H new ATOM 419 N PHE A 26 66.059 9.266 -8.468 1.00 0.38 N ATOM 420 CA PHE A 26 67.058 10.388 -8.511 1.00 0.42 C ATOM 421 C PHE A 26 68.409 9.887 -9.033 1.00 0.42 C ATOM 422 O PHE A 26 69.106 10.587 -9.745 1.00 0.46 O ATOM 423 CB PHE A 26 67.187 10.867 -7.062 1.00 0.43 C ATOM 424 CG PHE A 26 68.094 12.073 -7.008 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.573 13.378 -7.299 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.478 11.914 -6.664 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.435 14.524 -7.247 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.341 13.060 -6.613 1.00 0.64 C ATOM 429 CZ PHE A 26 69.819 14.364 -6.905 1.00 0.67 C ATOM 0 H PHE A 26 65.635 9.104 -7.555 1.00 0.38 H new ATOM 0 HA PHE A 26 66.741 11.189 -9.179 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.205 11.120 -6.663 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.589 10.068 -6.438 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.531 13.498 -7.557 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.870 10.932 -6.443 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.042 15.506 -7.465 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.383 12.941 -6.355 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.469 15.226 -6.867 1.00 0.67 H new ATOM 439 N TYR A 27 68.786 8.695 -8.656 1.00 0.39 N ATOM 440 CA TYR A 27 70.107 8.142 -9.091 1.00 0.42 C ATOM 441 C TYR A 27 69.987 7.406 -10.440 1.00 0.35 C ATOM 442 O TYR A 27 70.983 7.158 -11.097 1.00 0.37 O ATOM 443 CB TYR A 27 70.487 7.168 -7.973 1.00 0.46 C ATOM 444 CG TYR A 27 71.883 6.625 -8.180 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.128 5.614 -9.172 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.961 7.102 -7.365 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.448 5.084 -9.345 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.281 6.564 -7.535 1.00 1.16 C ATOM 449 CZ TYR A 27 74.523 5.556 -8.525 1.00 1.18 C ATOM 450 OH TYR A 27 75.788 5.035 -8.680 1.00 1.44 O ATOM 0 H TYR A 27 68.235 8.075 -8.062 1.00 0.39 H new ATOM 0 HA TYR A 27 70.853 8.922 -9.244 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.429 7.674 -7.009 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.773 6.345 -7.944 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.317 5.254 -9.787 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.780 7.866 -6.623 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.632 4.328 -10.094 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.092 6.919 -6.917 1.00 1.16 H new ATOM 0 HH TYR A 27 76.396 5.454 -8.036 1.00 1.44 H new ATOM 460 N GLY A 28 68.785 7.098 -10.884 1.00 0.31 N ATOM 461 CA GLY A 28 68.623 6.423 -12.209 1.00 0.29 C ATOM 462 C GLY A 28 69.014 4.945 -12.085 1.00 0.26 C ATOM 463 O GLY A 28 69.732 4.419 -12.915 1.00 0.27 O ATOM 0 H GLY A 28 67.916 7.286 -10.385 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.591 6.509 -12.549 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.247 6.913 -12.957 1.00 0.29 H new ATOM 467 N ILE A 29 68.597 4.291 -11.023 1.00 0.24 N ATOM 468 CA ILE A 29 68.999 2.863 -10.805 1.00 0.23 C ATOM 469 C ILE A 29 68.018 1.916 -11.503 1.00 0.20 C ATOM 470 O ILE A 29 66.842 1.885 -11.189 1.00 0.22 O ATOM 471 CB ILE A 29 68.956 2.645 -9.283 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.920 3.617 -8.602 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.370 1.206 -8.953 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.816 3.497 -7.077 1.00 0.42 C ATOM 0 H ILE A 29 67.996 4.685 -10.299 1.00 0.24 H new ATOM 0 HA ILE A 29 69.988 2.660 -11.215 1.00 0.23 H new ATOM 0 HB ILE A 29 67.942 2.821 -8.924 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.941 3.408 -8.920 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.693 4.638 -8.909 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.338 1.057 -7.874 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.684 0.510 -9.436 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.383 1.027 -9.314 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.509 4.196 -6.609 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.799 3.729 -6.762 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.066 2.480 -6.774 1.00 0.42 H new ATOM 486 N GLU A 30 68.538 1.032 -12.314 1.00 0.17 N ATOM 487 CA GLU A 30 67.700 -0.063 -12.888 1.00 0.18 C ATOM 488 C GLU A 30 68.375 -1.407 -12.613 1.00 0.17 C ATOM 489 O GLU A 30 69.561 -1.464 -12.339 1.00 0.18 O ATOM 490 CB GLU A 30 67.640 0.218 -14.391 1.00 0.22 C ATOM 491 CG GLU A 30 66.984 1.583 -14.635 1.00 1.06 C ATOM 492 CD GLU A 30 66.845 1.850 -16.142 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.541 1.210 -16.917 1.00 1.37 O ATOM 494 OE2 GLU A 30 66.046 2.702 -16.495 1.00 1.82 O ATOM 0 H GLU A 30 69.515 1.022 -12.606 1.00 0.17 H new ATOM 0 HA GLU A 30 66.701 -0.102 -12.454 1.00 0.18 H new ATOM 0 HB2 GLU A 30 68.645 0.206 -14.814 1.00 0.22 H new ATOM 0 HB3 GLU A 30 67.073 -0.564 -14.895 1.00 0.22 H new ATOM 0 HG2 GLU A 30 66.002 1.611 -14.162 1.00 1.06 H new ATOM 0 HG3 GLU A 30 67.582 2.369 -14.174 1.00 1.06 H new ATOM 501 N GLN A 31 67.630 -2.487 -12.651 1.00 0.20 N ATOM 502 CA GLN A 31 68.231 -3.830 -12.349 1.00 0.20 C ATOM 503 C GLN A 31 69.405 -4.122 -13.292 1.00 0.19 C ATOM 504 O GLN A 31 69.328 -3.886 -14.485 1.00 0.20 O ATOM 505 CB GLN A 31 67.104 -4.842 -12.571 1.00 0.25 C ATOM 506 CG GLN A 31 66.051 -4.682 -11.473 1.00 1.08 C ATOM 507 CD GLN A 31 64.955 -5.732 -11.659 1.00 1.10 C ATOM 508 OE1 GLN A 31 65.126 -6.877 -11.290 1.00 0.70 O ATOM 509 NE2 GLN A 31 63.827 -5.389 -12.220 1.00 1.99 N ATOM 0 H GLN A 31 66.635 -2.499 -12.877 1.00 0.20 H new ATOM 0 HA GLN A 31 68.623 -3.875 -11.333 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.650 -4.688 -13.550 1.00 0.25 H new ATOM 0 HB3 GLN A 31 67.504 -5.856 -12.561 1.00 0.25 H new ATOM 0 HG2 GLN A 31 66.513 -4.794 -10.492 1.00 1.08 H new ATOM 0 HG3 GLN A 31 65.621 -3.681 -11.510 1.00 1.08 H new ATOM 0 HE21 GLN A 31 63.683 -4.428 -12.530 1.00 1.99 H new ATOM 0 HE22 GLN A 31 63.090 -6.082 -12.348 1.00 1.99 H new ATOM 518 N GLY A 32 70.475 -4.659 -12.762 1.00 0.18 N ATOM 519 CA GLY A 32 71.653 -5.006 -13.611 1.00 0.19 C ATOM 520 C GLY A 32 72.692 -3.872 -13.602 1.00 0.17 C ATOM 521 O GLY A 32 73.835 -4.088 -13.962 1.00 0.18 O ATOM 0 H GLY A 32 70.583 -4.873 -11.771 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.110 -5.926 -13.246 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.326 -5.196 -14.633 1.00 0.19 H new ATOM 525 N ASP A 33 72.329 -2.684 -13.156 1.00 0.15 N ATOM 526 CA ASP A 33 73.334 -1.572 -13.084 1.00 0.14 C ATOM 527 C ASP A 33 74.257 -1.777 -11.884 1.00 0.13 C ATOM 528 O ASP A 33 73.866 -2.373 -10.899 1.00 0.14 O ATOM 529 CB ASP A 33 72.517 -0.291 -12.912 1.00 0.13 C ATOM 530 CG ASP A 33 71.706 -0.003 -14.181 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.098 -0.462 -15.243 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.708 0.684 -14.065 1.00 1.07 O ATOM 0 H ASP A 33 71.389 -2.442 -12.843 1.00 0.15 H new ATOM 0 HA ASP A 33 73.962 -1.533 -13.974 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.846 -0.391 -12.059 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.181 0.546 -12.699 1.00 0.13 H new ATOM 537 N PHE A 34 75.437 -1.200 -11.917 1.00 0.12 N ATOM 538 CA PHE A 34 76.335 -1.263 -10.730 1.00 0.11 C ATOM 539 C PHE A 34 76.459 0.122 -10.108 1.00 0.10 C ATOM 540 O PHE A 34 76.672 1.096 -10.802 1.00 0.11 O ATOM 541 CB PHE A 34 77.687 -1.729 -11.270 1.00 0.12 C ATOM 542 CG PHE A 34 77.600 -3.180 -11.670 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.168 -3.537 -12.991 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.953 -4.205 -10.729 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.087 -4.918 -13.371 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.872 -5.586 -11.109 1.00 0.20 C ATOM 547 CZ PHE A 34 77.439 -5.943 -12.430 1.00 0.21 C ATOM 0 H PHE A 34 75.812 -0.690 -12.717 1.00 0.12 H new ATOM 0 HA PHE A 34 75.958 -1.935 -9.959 1.00 0.11 H new ATOM 0 HB2 PHE A 34 77.976 -1.122 -12.128 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.458 -1.596 -10.511 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.904 -2.766 -13.699 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.279 -3.937 -9.735 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.761 -5.186 -14.365 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.137 -6.357 -10.401 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.378 -6.983 -12.716 1.00 0.21 H new ATOM 557 N VAL A 35 76.431 0.198 -8.804 1.00 0.09 N ATOM 558 CA VAL A 35 76.667 1.504 -8.124 1.00 0.09 C ATOM 559 C VAL A 35 77.712 1.319 -7.023 1.00 0.10 C ATOM 560 O VAL A 35 77.866 0.237 -6.487 1.00 0.10 O ATOM 561 CB VAL A 35 75.303 1.926 -7.555 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.299 2.084 -8.703 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.784 0.864 -6.580 1.00 0.15 C ATOM 0 H VAL A 35 76.255 -0.589 -8.180 1.00 0.09 H new ATOM 0 HA VAL A 35 77.052 2.270 -8.797 1.00 0.09 H new ATOM 0 HB VAL A 35 75.419 2.872 -7.027 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.331 2.383 -8.301 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.656 2.846 -9.396 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.196 1.135 -9.229 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.817 1.175 -6.184 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.674 -0.086 -7.102 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.492 0.747 -5.759 1.00 0.15 H new ATOM 573 N GLU A 36 78.429 2.361 -6.686 1.00 0.12 N ATOM 574 CA GLU A 36 79.471 2.253 -5.623 1.00 0.13 C ATOM 575 C GLU A 36 79.054 3.126 -4.457 1.00 0.13 C ATOM 576 O GLU A 36 78.639 4.251 -4.658 1.00 0.13 O ATOM 577 CB GLU A 36 80.758 2.772 -6.262 1.00 0.14 C ATOM 578 CG GLU A 36 81.930 2.573 -5.290 1.00 0.15 C ATOM 579 CD GLU A 36 83.226 3.177 -5.864 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.174 3.790 -6.921 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.253 3.015 -5.227 1.00 1.03 O ATOM 0 H GLU A 36 78.336 3.287 -7.105 1.00 0.12 H new ATOM 0 HA GLU A 36 79.606 1.237 -5.252 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.952 2.243 -7.195 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.653 3.828 -6.510 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.698 3.041 -4.333 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.073 1.510 -5.098 1.00 0.15 H new ATOM 588 N ILE A 37 78.938 2.545 -3.292 1.00 0.12 N ATOM 589 CA ILE A 37 78.277 3.266 -2.172 1.00 0.11 C ATOM 590 C ILE A 37 79.006 3.006 -0.849 1.00 0.11 C ATOM 591 O ILE A 37 79.683 2.007 -0.692 1.00 0.12 O ATOM 592 CB ILE A 37 76.852 2.699 -2.154 1.00 0.12 C ATOM 593 CG1 ILE A 37 76.024 3.398 -1.073 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.881 1.191 -1.877 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.529 3.265 -1.394 1.00 0.14 C ATOM 0 H ILE A 37 79.272 1.607 -3.071 1.00 0.12 H new ATOM 0 HA ILE A 37 78.286 4.348 -2.301 1.00 0.11 H new ATOM 0 HB ILE A 37 76.398 2.874 -3.130 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.236 2.958 -0.099 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.300 4.451 -1.015 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.862 0.803 -1.867 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.453 0.689 -2.657 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.348 1.008 -0.909 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.945 3.764 -0.621 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.322 3.726 -2.360 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.257 2.210 -1.429 1.00 0.14 H new ATOM 607 N LYS A 38 78.816 3.868 0.116 1.00 0.12 N ATOM 608 CA LYS A 38 79.433 3.654 1.459 1.00 0.13 C ATOM 609 C LYS A 38 78.402 3.892 2.564 1.00 0.13 C ATOM 610 O LYS A 38 77.568 4.769 2.461 1.00 0.14 O ATOM 611 CB LYS A 38 80.553 4.685 1.556 1.00 0.13 C ATOM 612 CG LYS A 38 81.391 4.383 2.797 1.00 0.18 C ATOM 613 CD LYS A 38 82.590 5.335 2.873 1.00 0.25 C ATOM 614 CE LYS A 38 82.101 6.780 3.012 1.00 1.03 C ATOM 615 NZ LYS A 38 83.042 7.412 3.978 1.00 1.11 N ATOM 0 H LYS A 38 78.256 4.716 0.031 1.00 0.12 H new ATOM 0 HA LYS A 38 79.802 2.635 1.578 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.176 4.651 0.662 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.137 5.691 1.617 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.778 4.487 3.692 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.739 3.350 2.767 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.221 5.072 3.722 1.00 0.25 H new ATOM 0 HD3 LYS A 38 83.203 5.234 1.977 1.00 0.25 H new ATOM 0 HE2 LYS A 38 82.115 7.296 2.052 1.00 1.03 H new ATOM 0 HE3 LYS A 38 81.075 6.816 3.378 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 82.772 8.406 4.126 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 83.002 6.904 4.885 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 84.010 7.369 3.599 1.00 1.11 H new ATOM 629 N ILE A 39 78.493 3.154 3.645 1.00 0.14 N ATOM 630 CA ILE A 39 77.559 3.376 4.795 1.00 0.14 C ATOM 631 C ILE A 39 78.331 3.861 6.022 1.00 0.13 C ATOM 632 O ILE A 39 79.475 3.500 6.227 1.00 0.13 O ATOM 633 CB ILE A 39 76.916 2.013 5.089 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.005 0.963 5.355 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.054 1.578 3.902 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.385 -0.262 6.029 1.00 0.20 C ATOM 0 H ILE A 39 79.174 2.407 3.781 1.00 0.14 H new ATOM 0 HA ILE A 39 76.812 4.133 4.557 1.00 0.14 H new ATOM 0 HB ILE A 39 76.287 2.102 5.974 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.481 0.673 4.418 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.783 1.385 5.991 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.601 0.610 4.117 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.270 2.316 3.732 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.676 1.497 3.011 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.160 -1.005 6.217 1.00 0.20 H new ATOM 0 HD12 ILE A 39 76.930 0.034 6.974 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.623 -0.689 5.377 1.00 0.20 H new ATOM 648 N VAL A 40 77.683 4.625 6.865 1.00 0.13 N ATOM 649 CA VAL A 40 78.336 5.085 8.128 1.00 0.12 C ATOM 650 C VAL A 40 77.328 5.035 9.282 1.00 0.16 C ATOM 651 O VAL A 40 76.294 5.676 9.242 1.00 0.20 O ATOM 652 CB VAL A 40 78.772 6.531 7.853 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.488 7.095 9.086 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.729 6.572 6.653 1.00 0.16 C ATOM 0 H VAL A 40 76.726 4.951 6.732 1.00 0.13 H new ATOM 0 HA VAL A 40 79.181 4.458 8.411 1.00 0.12 H new ATOM 0 HB VAL A 40 77.889 7.131 7.632 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.797 8.122 8.889 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.811 7.077 9.940 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.366 6.488 9.306 1.00 0.15 H new ATOM 0 HG21 VAL A 40 80.033 7.602 6.465 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.610 5.967 6.869 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.224 6.176 5.772 1.00 0.16 H new ATOM 664 N LYS A 41 77.664 4.337 10.335 1.00 0.17 N ATOM 665 CA LYS A 41 76.784 4.298 11.543 1.00 0.22 C ATOM 666 C LYS A 41 77.622 4.570 12.789 1.00 0.21 C ATOM 667 O LYS A 41 78.770 4.182 12.861 1.00 0.22 O ATOM 668 CB LYS A 41 76.219 2.880 11.594 1.00 0.28 C ATOM 669 CG LYS A 41 75.107 2.814 12.643 1.00 0.54 C ATOM 670 CD LYS A 41 74.636 1.367 12.803 1.00 1.11 C ATOM 671 CE LYS A 41 75.657 0.587 13.637 1.00 1.50 C ATOM 672 NZ LYS A 41 75.389 0.988 15.046 1.00 1.98 N ATOM 0 H LYS A 41 78.519 3.786 10.411 1.00 0.17 H new ATOM 0 HA LYS A 41 75.992 5.045 11.500 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.829 2.597 10.616 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.009 2.170 11.840 1.00 0.28 H new ATOM 0 HG2 LYS A 41 75.470 3.196 13.597 1.00 0.54 H new ATOM 0 HG3 LYS A 41 74.272 3.447 12.343 1.00 0.54 H new ATOM 0 HD2 LYS A 41 73.660 1.342 13.288 1.00 1.11 H new ATOM 0 HD3 LYS A 41 74.518 0.901 11.825 1.00 1.11 H new ATOM 0 HE2 LYS A 41 75.538 -0.488 13.503 1.00 1.50 H new ATOM 0 HE3 LYS A 41 76.677 0.833 13.344 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 75.758 0.260 15.690 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 75.857 1.895 15.244 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 74.364 1.089 15.189 1.00 1.98 H new ATOM 686 N TYR A 42 77.065 5.249 13.758 1.00 0.20 N ATOM 687 CA TYR A 42 77.842 5.569 14.995 1.00 0.20 C ATOM 688 C TYR A 42 77.389 4.676 16.154 1.00 0.27 C ATOM 689 O TYR A 42 76.213 4.605 16.464 1.00 0.33 O ATOM 690 CB TYR A 42 77.532 7.036 15.290 1.00 0.22 C ATOM 691 CG TYR A 42 78.498 7.550 16.330 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.820 7.948 15.939 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.098 7.640 17.705 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.742 8.436 16.923 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.021 8.129 18.689 1.00 0.25 C ATOM 696 CZ TYR A 42 80.344 8.527 18.299 1.00 0.28 C ATOM 697 OH TYR A 42 81.231 8.996 19.245 1.00 0.33 O ATOM 0 H TYR A 42 76.106 5.596 13.747 1.00 0.20 H new ATOM 0 HA TYR A 42 78.911 5.398 14.866 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.613 7.627 14.378 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.507 7.139 15.647 1.00 0.22 H new ATOM 0 HD1 TYR A 42 80.121 7.880 14.904 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.103 7.340 17.999 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.737 8.735 16.628 1.00 0.28 H new ATOM 0 HE2 TYR A 42 78.720 8.198 19.724 1.00 0.25 H new ATOM 0 HH TYR A 42 80.745 9.221 20.066 1.00 0.33 H new ATOM 707 N GLU A 43 78.319 4.040 16.826 1.00 0.29 N ATOM 708 CA GLU A 43 77.956 3.199 18.008 1.00 0.37 C ATOM 709 C GLU A 43 78.904 3.492 19.175 1.00 0.35 C ATOM 710 O GLU A 43 80.108 3.544 19.010 1.00 0.30 O ATOM 711 CB GLU A 43 78.098 1.746 17.531 1.00 0.44 C ATOM 712 CG GLU A 43 79.534 1.480 17.065 1.00 0.63 C ATOM 713 CD GLU A 43 79.634 0.059 16.509 1.00 0.80 C ATOM 714 OE1 GLU A 43 78.832 -0.281 15.656 1.00 1.34 O ATOM 715 OE2 GLU A 43 80.511 -0.667 16.949 1.00 1.48 O ATOM 0 H GLU A 43 79.315 4.068 16.606 1.00 0.29 H new ATOM 0 HA GLU A 43 76.947 3.402 18.367 1.00 0.37 H new ATOM 0 HB2 GLU A 43 77.838 1.063 18.340 1.00 0.44 H new ATOM 0 HB3 GLU A 43 77.402 1.554 16.715 1.00 0.44 H new ATOM 0 HG2 GLU A 43 79.819 2.202 16.300 1.00 0.63 H new ATOM 0 HG3 GLU A 43 80.227 1.606 17.897 1.00 0.63 H new ATOM 722 N GLY A 44 78.360 3.739 20.341 1.00 0.41 N ATOM 723 CA GLY A 44 79.211 4.094 21.520 1.00 0.41 C ATOM 724 C GLY A 44 80.010 5.367 21.219 1.00 0.37 C ATOM 725 O GLY A 44 79.460 6.366 20.793 1.00 0.37 O ATOM 0 H GLY A 44 77.358 3.710 20.528 1.00 0.41 H new ATOM 0 HA2 GLY A 44 78.585 4.246 22.399 1.00 0.41 H new ATOM 0 HA3 GLY A 44 79.890 3.273 21.750 1.00 0.41 H new ATOM 729 N GLU A 45 81.306 5.323 21.416 1.00 0.37 N ATOM 730 CA GLU A 45 82.159 6.516 21.118 1.00 0.37 C ATOM 731 C GLU A 45 82.967 6.327 19.819 1.00 0.34 C ATOM 732 O GLU A 45 83.920 7.047 19.577 1.00 0.36 O ATOM 733 CB GLU A 45 83.087 6.671 22.337 1.00 0.44 C ATOM 734 CG GLU A 45 84.060 5.485 22.446 1.00 0.45 C ATOM 735 CD GLU A 45 84.972 5.684 23.657 1.00 0.54 C ATOM 736 OE1 GLU A 45 84.451 5.944 24.730 1.00 1.17 O ATOM 737 OE2 GLU A 45 86.175 5.575 23.493 1.00 1.27 O ATOM 0 H GLU A 45 81.810 4.511 21.771 1.00 0.37 H new ATOM 0 HA GLU A 45 81.553 7.408 20.957 1.00 0.37 H new ATOM 0 HB2 GLU A 45 83.650 7.601 22.254 1.00 0.44 H new ATOM 0 HB3 GLU A 45 82.490 6.740 23.246 1.00 0.44 H new ATOM 0 HG2 GLU A 45 83.504 4.553 22.545 1.00 0.45 H new ATOM 0 HG3 GLU A 45 84.656 5.405 21.537 1.00 0.45 H new ATOM 744 N GLU A 46 82.628 5.346 19.007 1.00 0.31 N ATOM 745 CA GLU A 46 83.418 5.095 17.760 1.00 0.30 C ATOM 746 C GLU A 46 82.489 4.954 16.532 1.00 0.25 C ATOM 747 O GLU A 46 81.644 4.078 16.510 1.00 0.25 O ATOM 748 CB GLU A 46 84.180 3.786 18.025 1.00 0.38 C ATOM 749 CG GLU A 46 83.200 2.620 18.245 1.00 0.41 C ATOM 750 CD GLU A 46 83.621 1.806 19.473 1.00 0.63 C ATOM 751 OE1 GLU A 46 84.527 0.999 19.342 1.00 1.37 O ATOM 752 OE2 GLU A 46 83.030 2.002 20.522 1.00 1.19 O ATOM 0 H GLU A 46 81.842 4.714 19.156 1.00 0.31 H new ATOM 0 HA GLU A 46 84.093 5.921 17.535 1.00 0.30 H new ATOM 0 HB2 GLU A 46 84.834 3.563 17.182 1.00 0.38 H new ATOM 0 HB3 GLU A 46 84.818 3.902 18.901 1.00 0.38 H new ATOM 0 HG2 GLU A 46 82.189 3.005 18.382 1.00 0.41 H new ATOM 0 HG3 GLU A 46 83.180 1.980 17.363 1.00 0.41 H new ATOM 759 N PRO A 47 82.731 5.744 15.496 1.00 0.25 N ATOM 760 CA PRO A 47 81.971 5.571 14.235 1.00 0.21 C ATOM 761 C PRO A 47 82.479 4.335 13.478 1.00 0.27 C ATOM 762 O PRO A 47 83.667 4.184 13.260 1.00 0.34 O ATOM 763 CB PRO A 47 82.250 6.852 13.436 1.00 0.24 C ATOM 764 CG PRO A 47 83.109 7.718 14.311 1.00 0.33 C ATOM 765 CD PRO A 47 83.693 6.846 15.387 1.00 0.31 C ATOM 0 HA PRO A 47 80.905 5.419 14.404 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.757 6.623 12.499 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.320 7.360 13.179 1.00 0.24 H new ATOM 0 HG2 PRO A 47 83.901 8.186 13.726 1.00 0.33 H new ATOM 0 HG3 PRO A 47 82.519 8.523 14.750 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.686 6.486 15.117 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.794 7.385 16.329 1.00 0.31 H new ATOM 773 N LYS A 48 81.580 3.532 12.966 1.00 0.26 N ATOM 774 CA LYS A 48 81.988 2.392 12.087 1.00 0.35 C ATOM 775 C LYS A 48 81.523 2.655 10.654 1.00 0.28 C ATOM 776 O LYS A 48 80.439 3.158 10.434 1.00 0.24 O ATOM 777 CB LYS A 48 81.281 1.165 12.664 1.00 0.45 C ATOM 778 CG LYS A 48 81.746 0.929 14.101 1.00 0.60 C ATOM 779 CD LYS A 48 83.225 0.543 14.099 1.00 0.47 C ATOM 780 CE LYS A 48 83.649 0.124 15.509 1.00 0.48 C ATOM 781 NZ LYS A 48 84.538 -1.054 15.308 1.00 1.10 N ATOM 0 H LYS A 48 80.575 3.617 13.120 1.00 0.26 H new ATOM 0 HA LYS A 48 83.069 2.255 12.058 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.201 1.311 12.641 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.497 0.288 12.053 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.595 1.829 14.696 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.153 0.139 14.562 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.397 -0.275 13.399 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.830 1.384 13.761 1.00 0.47 H new ATOM 0 HE2 LYS A 48 84.173 0.932 16.020 1.00 0.48 H new ATOM 0 HE3 LYS A 48 82.785 -0.133 16.121 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 84.870 -1.400 16.231 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 84.010 -1.809 14.825 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.355 -0.777 14.727 1.00 1.10 H new ATOM 795 N GLU A 49 82.362 2.377 9.685 1.00 0.26 N ATOM 796 CA GLU A 49 82.002 2.678 8.265 1.00 0.20 C ATOM 797 C GLU A 49 82.358 1.500 7.355 1.00 0.19 C ATOM 798 O GLU A 49 83.138 0.638 7.715 1.00 0.21 O ATOM 799 CB GLU A 49 82.833 3.907 7.895 1.00 0.25 C ATOM 800 CG GLU A 49 82.449 5.080 8.801 1.00 0.80 C ATOM 801 CD GLU A 49 83.214 6.332 8.370 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.394 6.415 8.674 1.00 0.96 O ATOM 803 OE2 GLU A 49 82.610 7.186 7.743 1.00 1.42 O ATOM 0 H GLU A 49 83.281 1.954 9.817 1.00 0.26 H new ATOM 0 HA GLU A 49 80.933 2.854 8.146 1.00 0.20 H new ATOM 0 HB2 GLU A 49 83.895 3.685 8.001 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.665 4.171 6.851 1.00 0.25 H new ATOM 0 HG2 GLU A 49 81.375 5.260 8.745 1.00 0.80 H new ATOM 0 HG3 GLU A 49 82.678 4.841 9.839 1.00 0.80 H new ATOM 810 N GLY A 50 81.835 1.502 6.153 1.00 0.16 N ATOM 811 CA GLY A 50 82.183 0.432 5.174 1.00 0.16 C ATOM 812 C GLY A 50 81.895 0.927 3.757 1.00 0.15 C ATOM 813 O GLY A 50 80.842 1.467 3.491 1.00 0.17 O ATOM 0 H GLY A 50 81.179 2.203 5.809 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.235 0.164 5.270 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.604 -0.468 5.381 1.00 0.16 H new ATOM 817 N THR A 51 82.800 0.687 2.838 1.00 0.14 N ATOM 818 CA THR A 51 82.558 1.081 1.417 1.00 0.14 C ATOM 819 C THR A 51 82.687 -0.143 0.512 1.00 0.13 C ATOM 820 O THR A 51 83.615 -0.921 0.648 1.00 0.15 O ATOM 821 CB THR A 51 83.655 2.099 1.082 1.00 0.16 C ATOM 822 OG1 THR A 51 83.866 2.959 2.193 1.00 0.18 O ATOM 823 CG2 THR A 51 83.237 2.936 -0.135 1.00 0.21 C ATOM 0 H THR A 51 83.697 0.234 3.013 1.00 0.14 H new ATOM 0 HA THR A 51 81.561 1.497 1.272 1.00 0.14 H new ATOM 0 HB THR A 51 84.577 1.564 0.854 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.669 3.499 2.041 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.021 3.657 -0.367 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.082 2.280 -0.992 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.311 3.466 0.089 1.00 0.21 H new ATOM 831 N PHE A 52 81.789 -0.299 -0.431 1.00 0.12 N ATOM 832 CA PHE A 52 81.889 -1.458 -1.374 1.00 0.13 C ATOM 833 C PHE A 52 81.162 -1.159 -2.698 1.00 0.11 C ATOM 834 O PHE A 52 80.406 -0.208 -2.800 1.00 0.10 O ATOM 835 CB PHE A 52 81.263 -2.651 -0.611 1.00 0.14 C ATOM 836 CG PHE A 52 79.749 -2.544 -0.544 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.126 -1.544 0.277 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.942 -3.441 -1.319 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.694 -1.447 0.321 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.513 -3.342 -1.276 1.00 0.14 C ATOM 841 CZ PHE A 52 76.888 -2.346 -0.457 1.00 0.15 C ATOM 0 H PHE A 52 80.995 0.322 -0.588 1.00 0.12 H new ATOM 0 HA PHE A 52 82.918 -1.674 -1.661 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.540 -3.583 -1.103 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.670 -2.690 0.399 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.733 -0.867 0.860 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.412 -4.192 -1.936 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.223 -0.698 0.940 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.907 -4.018 -1.861 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.811 -2.271 -0.425 1.00 0.15 H new ATOM 851 N THR A 53 81.287 -2.043 -3.657 1.00 0.12 N ATOM 852 CA THR A 53 80.499 -1.911 -4.920 1.00 0.11 C ATOM 853 C THR A 53 79.395 -2.969 -4.945 1.00 0.11 C ATOM 854 O THR A 53 79.577 -4.073 -4.461 1.00 0.12 O ATOM 855 CB THR A 53 81.503 -2.157 -6.048 1.00 0.11 C ATOM 856 OG1 THR A 53 82.584 -1.242 -5.926 1.00 0.13 O ATOM 857 CG2 THR A 53 80.814 -1.959 -7.399 1.00 0.11 C ATOM 0 H THR A 53 81.904 -2.854 -3.618 1.00 0.12 H new ATOM 0 HA THR A 53 80.021 -0.936 -5.015 1.00 0.11 H new ATOM 0 HB THR A 53 81.881 -3.177 -5.982 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.229 -1.400 -6.647 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.530 -2.134 -8.202 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.986 -2.662 -7.491 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.434 -0.940 -7.468 1.00 0.11 H new ATOM 865 N ALA A 54 78.228 -2.611 -5.422 1.00 0.11 N ATOM 866 CA ALA A 54 77.075 -3.561 -5.385 1.00 0.13 C ATOM 867 C ALA A 54 76.239 -3.444 -6.659 1.00 0.13 C ATOM 868 O ALA A 54 76.035 -2.362 -7.176 1.00 0.11 O ATOM 869 CB ALA A 54 76.253 -3.135 -4.162 1.00 0.14 C ATOM 0 H ALA A 54 78.025 -1.701 -5.836 1.00 0.11 H new ATOM 0 HA ALA A 54 77.401 -4.599 -5.321 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.384 -3.786 -4.063 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.868 -3.212 -3.265 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.922 -2.104 -4.287 1.00 0.14 H new ATOM 875 N ARG A 55 75.681 -4.541 -7.110 1.00 0.15 N ATOM 876 CA ARG A 55 74.765 -4.493 -8.287 1.00 0.15 C ATOM 877 C ARG A 55 73.319 -4.359 -7.808 1.00 0.15 C ATOM 878 O ARG A 55 72.946 -4.891 -6.779 1.00 0.16 O ATOM 879 CB ARG A 55 74.967 -5.820 -9.018 1.00 0.19 C ATOM 880 CG ARG A 55 74.375 -5.715 -10.425 1.00 0.27 C ATOM 881 CD ARG A 55 74.630 -7.011 -11.204 1.00 0.45 C ATOM 882 NE ARG A 55 73.697 -8.019 -10.608 1.00 0.90 N ATOM 883 CZ ARG A 55 74.050 -8.808 -9.607 1.00 1.48 C ATOM 884 NH1 ARG A 55 75.236 -8.748 -9.048 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.185 -9.674 -9.154 1.00 2.21 N ATOM 0 H ARG A 55 75.822 -5.469 -6.711 1.00 0.15 H new ATOM 0 HA ARG A 55 74.973 -3.644 -8.938 1.00 0.15 H new ATOM 0 HB2 ARG A 55 76.029 -6.060 -9.074 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.486 -6.629 -8.468 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.304 -5.524 -10.363 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.820 -4.871 -10.953 1.00 0.27 H new ATOM 0 HD2 ARG A 55 74.435 -6.875 -12.268 1.00 0.45 H new ATOM 0 HD3 ARG A 55 75.668 -7.330 -11.108 1.00 0.45 H new ATOM 0 HE ARG A 55 72.754 -8.100 -10.988 1.00 0.90 H new ATOM 0 HH11 ARG A 55 75.925 -8.075 -9.384 1.00 1.67 H new ATOM 0 HH12 ARG A 55 75.469 -9.375 -8.278 1.00 1.67 H new ATOM 0 HH21 ARG A 55 72.256 -9.733 -9.571 1.00 2.21 H new ATOM 0 HH22 ARG A 55 73.438 -10.292 -8.383 1.00 2.21 H new ATOM 899 N VAL A 56 72.514 -3.636 -8.540 1.00 0.14 N ATOM 900 CA VAL A 56 71.090 -3.436 -8.133 1.00 0.14 C ATOM 901 C VAL A 56 70.265 -4.670 -8.498 1.00 0.15 C ATOM 902 O VAL A 56 70.240 -5.098 -9.637 1.00 0.17 O ATOM 903 CB VAL A 56 70.623 -2.201 -8.916 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.135 -1.919 -8.645 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.457 -0.994 -8.480 1.00 0.17 C ATOM 0 H VAL A 56 72.782 -3.172 -9.408 1.00 0.14 H new ATOM 0 HA VAL A 56 70.975 -3.292 -7.059 1.00 0.14 H new ATOM 0 HB VAL A 56 70.753 -2.385 -9.983 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.823 -1.040 -9.209 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.540 -2.778 -8.954 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.987 -1.739 -7.580 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.134 -0.110 -9.030 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.322 -0.826 -7.412 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.510 -1.185 -8.687 1.00 0.17 H new ATOM 915 N GLY A 57 69.557 -5.204 -7.540 1.00 0.16 N ATOM 916 CA GLY A 57 68.678 -6.377 -7.807 1.00 0.19 C ATOM 917 C GLY A 57 67.220 -5.923 -7.899 1.00 0.18 C ATOM 918 O GLY A 57 66.919 -4.740 -7.905 1.00 0.16 O ATOM 0 H GLY A 57 69.550 -4.874 -6.575 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.976 -6.862 -8.736 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.789 -7.115 -7.012 1.00 0.19 H new ATOM 922 N GLU A 58 66.312 -6.862 -7.957 1.00 0.21 N ATOM 923 CA GLU A 58 64.861 -6.506 -8.041 1.00 0.22 C ATOM 924 C GLU A 58 64.442 -5.728 -6.790 1.00 0.22 C ATOM 925 O GLU A 58 65.086 -5.788 -5.761 1.00 0.24 O ATOM 926 CB GLU A 58 64.116 -7.842 -8.121 1.00 0.27 C ATOM 927 CG GLU A 58 62.663 -7.594 -8.548 1.00 0.81 C ATOM 928 CD GLU A 58 61.851 -8.902 -8.509 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.396 -9.926 -8.120 1.00 1.28 O ATOM 930 OE2 GLU A 58 60.686 -8.854 -8.872 1.00 1.39 O ATOM 0 H GLU A 58 66.511 -7.862 -7.950 1.00 0.21 H new ATOM 0 HA GLU A 58 64.641 -5.874 -8.902 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.608 -8.503 -8.835 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.141 -8.343 -7.153 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.206 -6.857 -7.888 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.641 -7.177 -9.555 1.00 0.81 H new ATOM 937 N GLN A 59 63.390 -4.953 -6.894 1.00 0.25 N ATOM 938 CA GLN A 59 62.921 -4.110 -5.744 1.00 0.30 C ATOM 939 C GLN A 59 64.034 -3.194 -5.207 1.00 0.23 C ATOM 940 O GLN A 59 63.879 -2.609 -4.148 1.00 0.23 O ATOM 941 CB GLN A 59 62.475 -5.094 -4.653 1.00 0.37 C ATOM 942 CG GLN A 59 61.282 -5.917 -5.148 1.00 0.46 C ATOM 943 CD GLN A 59 60.085 -4.995 -5.393 1.00 0.56 C ATOM 944 OE1 GLN A 59 59.734 -4.198 -4.545 1.00 0.82 O ATOM 945 NE2 GLN A 59 59.438 -5.071 -6.524 1.00 0.81 N ATOM 0 H GLN A 59 62.826 -4.866 -7.740 1.00 0.25 H new ATOM 0 HA GLN A 59 62.113 -3.452 -6.062 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.300 -5.756 -4.389 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.202 -4.549 -3.749 1.00 0.37 H new ATOM 0 HG2 GLN A 59 61.545 -6.440 -6.068 1.00 0.46 H new ATOM 0 HG3 GLN A 59 61.022 -6.678 -4.412 1.00 0.46 H new ATOM 0 HE21 GLN A 59 59.732 -5.740 -7.236 1.00 0.81 H new ATOM 0 HE22 GLN A 59 58.638 -4.462 -6.696 1.00 0.81 H new ATOM 954 N GLY A 60 65.077 -2.944 -5.976 1.00 0.19 N ATOM 955 CA GLY A 60 66.089 -1.924 -5.551 1.00 0.16 C ATOM 956 C GLY A 60 66.941 -2.456 -4.394 1.00 0.12 C ATOM 957 O GLY A 60 67.493 -1.682 -3.627 1.00 0.12 O ATOM 0 H GLY A 60 65.266 -3.399 -6.869 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.731 -1.668 -6.394 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.583 -1.008 -5.246 1.00 0.16 H new ATOM 961 N SER A 61 66.995 -3.755 -4.212 1.00 0.14 N ATOM 962 CA SER A 61 67.754 -4.323 -3.055 1.00 0.16 C ATOM 963 C SER A 61 69.255 -4.329 -3.355 1.00 0.15 C ATOM 964 O SER A 61 69.674 -4.622 -4.459 1.00 0.18 O ATOM 965 CB SER A 61 67.238 -5.750 -2.887 1.00 0.21 C ATOM 966 OG SER A 61 67.724 -6.285 -1.663 1.00 1.30 O ATOM 0 H SER A 61 66.546 -4.445 -4.815 1.00 0.14 H new ATOM 0 HA SER A 61 67.612 -3.734 -2.149 1.00 0.16 H new ATOM 0 HB2 SER A 61 66.148 -5.758 -2.893 1.00 0.21 H new ATOM 0 HB3 SER A 61 67.566 -6.368 -3.723 1.00 0.21 H new ATOM 0 HG SER A 61 68.123 -7.165 -1.826 1.00 1.30 H new ATOM 972 N VAL A 62 70.060 -4.102 -2.349 1.00 0.14 N ATOM 973 CA VAL A 62 71.542 -4.196 -2.516 1.00 0.15 C ATOM 974 C VAL A 62 72.151 -4.914 -1.304 1.00 0.14 C ATOM 975 O VAL A 62 71.606 -4.864 -0.218 1.00 0.14 O ATOM 976 CB VAL A 62 72.029 -2.744 -2.616 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.661 -1.972 -1.346 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.548 -2.726 -2.796 1.00 0.21 C ATOM 0 H VAL A 62 69.751 -3.853 -1.409 1.00 0.14 H new ATOM 0 HA VAL A 62 71.835 -4.766 -3.398 1.00 0.15 H new ATOM 0 HB VAL A 62 71.549 -2.270 -3.472 1.00 0.17 H new ATOM 0 HG11 VAL A 62 72.012 -0.944 -1.431 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.578 -1.976 -1.218 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.130 -2.446 -0.484 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.894 -1.695 -2.867 1.00 0.21 H new ATOM 0 HG22 VAL A 62 74.021 -3.209 -1.941 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.813 -3.261 -3.708 1.00 0.21 H new ATOM 988 N ILE A 63 73.203 -5.672 -1.510 1.00 0.16 N ATOM 989 CA ILE A 63 73.764 -6.505 -0.397 1.00 0.17 C ATOM 990 C ILE A 63 75.129 -5.968 0.047 1.00 0.16 C ATOM 991 O ILE A 63 76.078 -5.972 -0.716 1.00 0.19 O ATOM 992 CB ILE A 63 73.919 -7.920 -0.980 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.578 -8.428 -1.548 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.403 -8.875 0.115 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.502 -8.443 -0.455 1.00 0.34 C ATOM 0 H ILE A 63 73.697 -5.750 -2.399 1.00 0.16 H new ATOM 0 HA ILE A 63 73.114 -6.490 0.478 1.00 0.17 H new ATOM 0 HB ILE A 63 74.648 -7.883 -1.789 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.259 -7.788 -2.371 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.705 -9.431 -1.955 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.513 -9.877 -0.299 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.365 -8.533 0.497 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.676 -8.895 0.927 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.563 -8.804 -0.874 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.815 -9.102 0.355 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.362 -7.434 -0.068 1.00 0.34 H new ATOM 1007 N ILE A 64 75.267 -5.654 1.315 1.00 0.15 N ATOM 1008 CA ILE A 64 76.612 -5.288 1.862 1.00 0.16 C ATOM 1009 C ILE A 64 77.434 -6.569 2.103 1.00 0.18 C ATOM 1010 O ILE A 64 76.881 -7.573 2.497 1.00 0.20 O ATOM 1011 CB ILE A 64 76.327 -4.568 3.186 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.477 -3.321 2.919 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.645 -4.144 3.840 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.854 -2.838 4.230 1.00 0.32 C ATOM 0 H ILE A 64 74.506 -5.636 1.994 1.00 0.15 H new ATOM 0 HA ILE A 64 77.185 -4.658 1.182 1.00 0.16 H new ATOM 0 HB ILE A 64 75.791 -5.245 3.851 1.00 0.19 H new ATOM 0 HG12 ILE A 64 76.093 -2.534 2.485 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.695 -3.549 2.195 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.437 -3.633 4.780 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.255 -5.026 4.034 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.182 -3.471 3.172 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.249 -1.951 4.040 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.224 -3.625 4.645 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.644 -2.594 4.940 1.00 0.32 H new ATOM 1026 N PRO A 65 78.729 -6.512 1.858 1.00 0.19 N ATOM 1027 CA PRO A 65 79.587 -7.720 2.054 1.00 0.23 C ATOM 1028 C PRO A 65 79.632 -8.122 3.532 1.00 0.26 C ATOM 1029 O PRO A 65 79.765 -7.290 4.410 1.00 0.23 O ATOM 1030 CB PRO A 65 80.955 -7.251 1.563 1.00 0.26 C ATOM 1031 CG PRO A 65 80.916 -5.779 1.780 1.00 0.24 C ATOM 1032 CD PRO A 65 79.529 -5.363 1.396 1.00 0.21 C ATOM 0 HA PRO A 65 79.224 -8.601 1.525 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.765 -7.718 2.124 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.111 -7.498 0.513 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.129 -5.528 2.819 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.663 -5.271 1.170 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.231 -4.435 1.884 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.433 -5.204 0.322 1.00 0.21 H new ATOM 1040 N LYS A 66 79.532 -9.401 3.810 1.00 0.41 N ATOM 1041 CA LYS A 66 79.572 -9.886 5.233 1.00 0.51 C ATOM 1042 C LYS A 66 80.837 -9.390 5.941 1.00 0.44 C ATOM 1043 O LYS A 66 80.830 -9.117 7.127 1.00 0.42 O ATOM 1044 CB LYS A 66 79.580 -11.415 5.139 1.00 0.69 C ATOM 1045 CG LYS A 66 79.521 -12.016 6.545 1.00 0.96 C ATOM 1046 CD LYS A 66 78.103 -11.877 7.102 1.00 1.31 C ATOM 1047 CE LYS A 66 78.021 -12.558 8.470 1.00 1.89 C ATOM 1048 NZ LYS A 66 78.278 -11.471 9.455 1.00 2.62 N ATOM 0 H LYS A 66 79.424 -10.136 3.111 1.00 0.41 H new ATOM 0 HA LYS A 66 78.724 -9.515 5.808 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.729 -11.758 4.550 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.480 -11.753 4.625 1.00 0.69 H new ATOM 0 HG2 LYS A 66 79.810 -13.067 6.515 1.00 0.96 H new ATOM 0 HG3 LYS A 66 80.231 -11.509 7.199 1.00 0.96 H new ATOM 0 HD2 LYS A 66 77.838 -10.823 7.192 1.00 1.31 H new ATOM 0 HD3 LYS A 66 77.386 -12.328 6.416 1.00 1.31 H new ATOM 0 HE2 LYS A 66 77.042 -13.011 8.628 1.00 1.89 H new ATOM 0 HE3 LYS A 66 78.759 -13.355 8.560 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 78.239 -11.860 10.419 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 79.219 -11.063 9.284 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 77.556 -10.730 9.351 1.00 2.62 H new ATOM 1062 N ALA A 67 81.925 -9.297 5.218 1.00 0.43 N ATOM 1063 CA ALA A 67 83.215 -8.849 5.840 1.00 0.40 C ATOM 1064 C ALA A 67 83.056 -7.455 6.450 1.00 0.30 C ATOM 1065 O ALA A 67 83.578 -7.169 7.515 1.00 0.28 O ATOM 1066 CB ALA A 67 84.229 -8.818 4.694 1.00 0.45 C ATOM 0 H ALA A 67 81.978 -9.512 4.222 1.00 0.43 H new ATOM 0 HA ALA A 67 83.531 -9.514 6.644 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.199 -8.498 5.075 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.320 -9.814 4.261 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.892 -8.119 3.928 1.00 0.45 H new ATOM 1072 N LEU A 68 82.319 -6.596 5.789 1.00 0.27 N ATOM 1073 CA LEU A 68 82.106 -5.219 6.328 1.00 0.23 C ATOM 1074 C LEU A 68 81.077 -5.235 7.460 1.00 0.22 C ATOM 1075 O LEU A 68 81.185 -4.468 8.398 1.00 0.22 O ATOM 1076 CB LEU A 68 81.606 -4.377 5.146 1.00 0.28 C ATOM 1077 CG LEU A 68 82.734 -4.178 4.121 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.216 -3.336 2.952 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.915 -3.444 4.772 1.00 1.82 C ATOM 0 H LEU A 68 81.857 -6.790 4.901 1.00 0.27 H new ATOM 0 HA LEU A 68 83.024 -4.807 6.747 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.757 -4.870 4.672 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.254 -3.409 5.503 1.00 0.28 H new ATOM 0 HG LEU A 68 83.063 -5.154 3.765 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.015 -3.194 2.224 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.379 -3.848 2.477 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.885 -2.365 3.321 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.709 -3.308 4.037 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.584 -2.470 5.133 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.292 -4.032 5.609 1.00 1.82 H new ATOM 1091 N ARG A 69 80.098 -6.114 7.403 1.00 0.25 N ATOM 1092 CA ARG A 69 79.083 -6.179 8.510 1.00 0.28 C ATOM 1093 C ARG A 69 79.785 -6.453 9.843 1.00 0.25 C ATOM 1094 O ARG A 69 79.459 -5.870 10.860 1.00 0.26 O ATOM 1095 CB ARG A 69 78.177 -7.375 8.199 1.00 0.35 C ATOM 1096 CG ARG A 69 77.522 -7.251 6.823 1.00 0.46 C ATOM 1097 CD ARG A 69 76.437 -8.330 6.715 1.00 0.56 C ATOM 1098 NE ARG A 69 76.355 -8.690 5.264 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.870 -9.858 4.865 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.416 -10.753 5.717 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.833 -10.125 3.590 1.00 2.30 N ATOM 0 H ARG A 69 79.959 -6.783 6.646 1.00 0.25 H new ATOM 0 HA ARG A 69 78.529 -5.243 8.580 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.762 -8.294 8.241 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.404 -7.453 8.963 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.087 -6.260 6.696 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.264 -7.377 6.035 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.691 -9.201 7.319 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.479 -7.958 7.079 1.00 0.56 H new ATOM 0 HE ARG A 69 76.680 -8.021 4.566 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.431 -10.558 6.718 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.050 -11.642 5.376 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.174 -9.440 2.915 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.463 -11.019 3.267 1.00 2.30 H new ATOM 1115 N ASP A 70 80.693 -7.395 9.841 1.00 0.25 N ATOM 1116 CA ASP A 70 81.372 -7.798 11.111 1.00 0.25 C ATOM 1117 C ASP A 70 82.312 -6.692 11.587 1.00 0.22 C ATOM 1118 O ASP A 70 82.302 -6.322 12.747 1.00 0.22 O ATOM 1119 CB ASP A 70 82.166 -9.061 10.767 1.00 0.27 C ATOM 1120 CG ASP A 70 82.764 -9.652 12.046 1.00 0.91 C ATOM 1121 OD1 ASP A 70 82.063 -10.389 12.719 1.00 1.68 O ATOM 1122 OD2 ASP A 70 83.914 -9.359 12.329 1.00 1.56 O ATOM 0 H ASP A 70 80.995 -7.905 9.011 1.00 0.25 H new ATOM 0 HA ASP A 70 80.656 -7.975 11.914 1.00 0.25 H new ATOM 0 HB2 ASP A 70 81.516 -9.792 10.285 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.959 -8.823 10.058 1.00 0.27 H new ATOM 1127 N VAL A 71 83.132 -6.175 10.706 1.00 0.21 N ATOM 1128 CA VAL A 71 84.113 -5.115 11.116 1.00 0.21 C ATOM 1129 C VAL A 71 83.364 -3.890 11.657 1.00 0.21 C ATOM 1130 O VAL A 71 83.830 -3.217 12.558 1.00 0.22 O ATOM 1131 CB VAL A 71 84.882 -4.769 9.829 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.854 -3.612 10.081 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.669 -5.998 9.366 1.00 0.28 C ATOM 0 H VAL A 71 83.167 -6.439 9.721 1.00 0.21 H new ATOM 0 HA VAL A 71 84.784 -5.447 11.908 1.00 0.21 H new ATOM 0 HB VAL A 71 84.169 -4.470 9.061 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.390 -3.380 9.161 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.297 -2.734 10.408 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.567 -3.898 10.854 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.216 -5.758 8.454 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.373 -6.294 10.144 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.979 -6.819 9.170 1.00 0.28 H new ATOM 1143 N ILE A 72 82.254 -3.563 11.058 1.00 0.21 N ATOM 1144 CA ILE A 72 81.503 -2.334 11.462 1.00 0.22 C ATOM 1145 C ILE A 72 80.618 -2.609 12.692 1.00 0.22 C ATOM 1146 O ILE A 72 80.241 -1.690 13.396 1.00 0.23 O ATOM 1147 CB ILE A 72 80.653 -1.966 10.236 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.574 -1.698 9.039 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.830 -0.704 10.523 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.732 -1.488 7.780 1.00 0.28 C ATOM 0 H ILE A 72 81.829 -4.096 10.300 1.00 0.21 H new ATOM 0 HA ILE A 72 82.171 -1.522 11.749 1.00 0.22 H new ATOM 0 HB ILE A 72 79.980 -2.793 10.013 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.187 -0.817 9.229 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.256 -2.537 8.897 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.232 -0.453 9.647 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.172 -0.884 11.373 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.501 0.123 10.753 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.388 -1.298 6.931 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.138 -2.381 7.586 1.00 0.28 H new ATOM 0 HD13 ILE A 72 80.069 -0.635 7.924 1.00 0.28 H new ATOM 1162 N GLY A 73 80.340 -3.862 12.999 1.00 0.21 N ATOM 1163 CA GLY A 73 79.545 -4.175 14.228 1.00 0.21 C ATOM 1164 C GLY A 73 78.064 -3.873 13.976 1.00 0.20 C ATOM 1165 O GLY A 73 77.381 -3.341 14.833 1.00 0.22 O ATOM 0 H GLY A 73 80.630 -4.673 12.452 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.672 -5.224 14.497 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.909 -3.584 15.068 1.00 0.21 H new ATOM 1169 N ILE A 74 77.597 -4.103 12.772 1.00 0.20 N ATOM 1170 CA ILE A 74 76.194 -3.714 12.414 1.00 0.21 C ATOM 1171 C ILE A 74 75.225 -4.871 12.685 1.00 0.21 C ATOM 1172 O ILE A 74 75.556 -6.028 12.497 1.00 0.23 O ATOM 1173 CB ILE A 74 76.233 -3.381 10.915 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.266 -2.269 10.640 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.848 -2.916 10.455 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.918 -0.999 11.427 1.00 0.77 C ATOM 0 H ILE A 74 78.127 -4.544 12.020 1.00 0.20 H new ATOM 0 HA ILE A 74 75.845 -2.869 13.008 1.00 0.21 H new ATOM 0 HB ILE A 74 76.521 -4.276 10.364 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.262 -2.614 10.918 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.293 -2.046 9.573 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.878 -2.680 9.391 1.00 0.27 H new ATOM 0 HG22 ILE A 74 74.121 -3.709 10.631 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.558 -2.027 11.015 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.659 -0.227 11.219 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.931 -0.645 11.128 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.916 -1.221 12.494 1.00 0.77 H new ATOM 1188 N LYS A 75 74.043 -4.561 13.163 1.00 0.22 N ATOM 1189 CA LYS A 75 73.051 -5.628 13.499 1.00 0.24 C ATOM 1190 C LYS A 75 71.674 -5.306 12.880 1.00 0.24 C ATOM 1191 O LYS A 75 71.422 -4.178 12.500 1.00 0.23 O ATOM 1192 CB LYS A 75 72.966 -5.621 15.026 1.00 0.29 C ATOM 1193 CG LYS A 75 74.240 -6.234 15.611 1.00 1.19 C ATOM 1194 CD LYS A 75 74.582 -5.537 16.929 1.00 1.71 C ATOM 1195 CE LYS A 75 75.771 -6.243 17.588 1.00 2.52 C ATOM 1196 NZ LYS A 75 76.153 -5.368 18.730 1.00 3.21 N ATOM 0 H LYS A 75 73.722 -3.608 13.335 1.00 0.22 H new ATOM 0 HA LYS A 75 73.349 -6.601 13.108 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.841 -4.601 15.389 1.00 0.29 H new ATOM 0 HB3 LYS A 75 72.094 -6.186 15.355 1.00 0.29 H new ATOM 0 HG2 LYS A 75 74.099 -7.302 15.778 1.00 1.19 H new ATOM 0 HG3 LYS A 75 75.065 -6.127 14.906 1.00 1.19 H new ATOM 0 HD2 LYS A 75 74.823 -4.490 16.747 1.00 1.71 H new ATOM 0 HD3 LYS A 75 73.720 -5.554 17.596 1.00 1.71 H new ATOM 0 HE2 LYS A 75 75.497 -7.241 17.930 1.00 2.52 H new ATOM 0 HE3 LYS A 75 76.598 -6.361 16.887 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 76.963 -5.786 19.232 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 76.415 -4.427 18.374 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 75.349 -5.279 19.384 1.00 3.21 H new ATOM 1210 N PRO A 76 70.815 -6.308 12.785 1.00 0.25 N ATOM 1211 CA PRO A 76 69.473 -6.085 12.185 1.00 0.26 C ATOM 1212 C PRO A 76 68.691 -5.030 12.976 1.00 0.24 C ATOM 1213 O PRO A 76 68.608 -5.086 14.189 1.00 0.23 O ATOM 1214 CB PRO A 76 68.783 -7.449 12.276 1.00 0.29 C ATOM 1215 CG PRO A 76 69.595 -8.253 13.244 1.00 0.50 C ATOM 1216 CD PRO A 76 70.993 -7.706 13.212 1.00 0.28 C ATOM 0 HA PRO A 76 69.534 -5.716 11.161 1.00 0.26 H new ATOM 0 HB2 PRO A 76 67.754 -7.345 12.621 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.745 -7.934 11.300 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.177 -8.183 14.248 1.00 0.50 H new ATOM 0 HG3 PRO A 76 69.588 -9.308 12.969 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.469 -7.768 14.191 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.623 -8.260 12.516 1.00 0.28 H new ATOM 1224 N GLY A 77 68.053 -4.116 12.284 1.00 0.24 N ATOM 1225 CA GLY A 77 67.195 -3.101 12.969 1.00 0.24 C ATOM 1226 C GLY A 77 67.992 -1.824 13.293 1.00 0.22 C ATOM 1227 O GLY A 77 67.444 -0.880 13.835 1.00 0.24 O ATOM 0 H GLY A 77 68.091 -4.030 11.268 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.346 -2.851 12.333 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.791 -3.524 13.889 1.00 0.24 H new ATOM 1231 N GLU A 78 69.267 -1.769 12.955 1.00 0.20 N ATOM 1232 CA GLU A 78 70.070 -0.535 13.233 1.00 0.20 C ATOM 1233 C GLU A 78 70.102 0.366 12.003 1.00 0.18 C ATOM 1234 O GLU A 78 70.290 -0.102 10.895 1.00 0.18 O ATOM 1235 CB GLU A 78 71.473 -1.025 13.585 1.00 0.20 C ATOM 1236 CG GLU A 78 71.587 -1.174 15.105 1.00 0.22 C ATOM 1237 CD GLU A 78 73.032 -1.503 15.498 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.738 -2.072 14.680 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.409 -1.179 16.611 1.00 1.11 O ATOM 0 H GLU A 78 69.780 -2.525 12.501 1.00 0.20 H new ATOM 0 HA GLU A 78 69.640 0.054 14.043 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.671 -1.980 13.098 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.220 -0.320 13.220 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.271 -0.252 15.593 1.00 0.22 H new ATOM 0 HG3 GLU A 78 70.920 -1.963 15.451 1.00 0.22 H new ATOM 1246 N VAL A 79 69.822 1.631 12.184 1.00 0.19 N ATOM 1247 CA VAL A 79 69.709 2.552 11.013 1.00 0.18 C ATOM 1248 C VAL A 79 71.055 3.219 10.703 1.00 0.18 C ATOM 1249 O VAL A 79 71.761 3.675 11.582 1.00 0.19 O ATOM 1250 CB VAL A 79 68.639 3.590 11.403 1.00 0.20 C ATOM 1251 CG1 VAL A 79 69.106 4.451 12.587 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.362 4.497 10.203 1.00 0.21 C ATOM 0 H VAL A 79 69.667 2.067 13.093 1.00 0.19 H new ATOM 0 HA VAL A 79 69.428 2.017 10.106 1.00 0.18 H new ATOM 0 HB VAL A 79 67.734 3.059 11.699 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.330 5.174 12.839 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.300 3.811 13.448 1.00 0.24 H new ATOM 0 HG13 VAL A 79 70.020 4.979 12.315 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.606 5.234 10.471 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.280 5.008 9.913 1.00 0.21 H new ATOM 0 HG23 VAL A 79 68.003 3.896 9.368 1.00 0.21 H new ATOM 1262 N ILE A 80 71.398 3.270 9.444 1.00 0.17 N ATOM 1263 CA ILE A 80 72.680 3.898 9.018 1.00 0.17 C ATOM 1264 C ILE A 80 72.399 4.957 7.947 1.00 0.17 C ATOM 1265 O ILE A 80 71.414 4.880 7.235 1.00 0.17 O ATOM 1266 CB ILE A 80 73.531 2.748 8.454 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.811 2.102 7.265 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.764 1.702 9.546 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.710 1.038 6.626 1.00 0.18 C ATOM 0 H ILE A 80 70.834 2.896 8.681 1.00 0.17 H new ATOM 0 HA ILE A 80 73.195 4.400 9.837 1.00 0.17 H new ATOM 0 HB ILE A 80 74.490 3.142 8.118 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.877 1.649 7.597 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.553 2.863 6.528 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.367 0.887 9.146 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.286 2.162 10.385 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.805 1.311 9.886 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.192 0.583 5.782 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.633 1.502 6.278 1.00 0.18 H new ATOM 0 HD13 ILE A 80 73.946 0.270 7.363 1.00 0.18 H new ATOM 1281 N GLU A 81 73.312 5.869 7.764 1.00 0.18 N ATOM 1282 CA GLU A 81 73.181 6.865 6.664 1.00 0.18 C ATOM 1283 C GLU A 81 74.027 6.404 5.482 1.00 0.17 C ATOM 1284 O GLU A 81 75.146 5.955 5.656 1.00 0.19 O ATOM 1285 CB GLU A 81 73.725 8.170 7.248 1.00 0.20 C ATOM 1286 CG GLU A 81 73.509 9.312 6.254 1.00 0.21 C ATOM 1287 CD GLU A 81 74.138 10.591 6.808 1.00 0.23 C ATOM 1288 OE1 GLU A 81 75.221 10.503 7.364 1.00 1.04 O ATOM 1289 OE2 GLU A 81 73.529 11.638 6.664 1.00 1.14 O ATOM 0 H GLU A 81 74.151 5.968 8.335 1.00 0.18 H new ATOM 0 HA GLU A 81 72.157 6.986 6.310 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.223 8.395 8.189 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.787 8.065 7.470 1.00 0.20 H new ATOM 0 HG2 GLU A 81 73.955 9.061 5.292 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.443 9.462 6.082 1.00 0.21 H new ATOM 1296 N VAL A 82 73.434 6.346 4.319 1.00 0.16 N ATOM 1297 CA VAL A 82 74.120 5.724 3.151 1.00 0.17 C ATOM 1298 C VAL A 82 74.425 6.785 2.093 1.00 0.16 C ATOM 1299 O VAL A 82 73.565 7.551 1.698 1.00 0.17 O ATOM 1300 CB VAL A 82 73.127 4.682 2.623 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.709 3.984 1.394 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.862 3.636 3.709 1.00 0.19 C ATOM 0 H VAL A 82 72.499 6.705 4.128 1.00 0.16 H new ATOM 0 HA VAL A 82 75.075 5.270 3.417 1.00 0.17 H new ATOM 0 HB VAL A 82 72.197 5.182 2.352 1.00 0.18 H new ATOM 0 HG11 VAL A 82 72.998 3.245 1.024 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.904 4.721 0.615 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.641 3.487 1.665 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.156 2.894 3.335 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.797 3.144 3.977 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.444 4.124 4.590 1.00 0.19 H new ATOM 1312 N LEU A 83 75.652 6.832 1.653 1.00 0.16 N ATOM 1313 CA LEU A 83 76.063 7.842 0.630 1.00 0.17 C ATOM 1314 C LEU A 83 76.501 7.113 -0.643 1.00 0.15 C ATOM 1315 O LEU A 83 77.427 6.325 -0.602 1.00 0.12 O ATOM 1316 CB LEU A 83 77.282 8.580 1.224 1.00 0.21 C ATOM 1317 CG LEU A 83 77.024 9.029 2.669 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.275 9.712 3.221 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.848 10.002 2.699 1.00 0.20 C ATOM 0 H LEU A 83 76.398 6.208 1.961 1.00 0.16 H new ATOM 0 HA LEU A 83 75.250 8.526 0.389 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.153 7.925 1.196 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.517 9.449 0.609 1.00 0.21 H new ATOM 0 HG LEU A 83 76.787 8.161 3.284 1.00 0.20 H new ATOM 0 HD11 LEU A 83 78.093 10.031 4.247 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.110 9.012 3.202 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.516 10.581 2.608 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.665 10.320 3.725 1.00 0.20 H new ATOM 0 HD22 LEU A 83 76.080 10.872 2.085 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.958 9.509 2.308 1.00 0.20 H new ATOM 1331 N LEU A 84 75.953 7.463 -1.781 1.00 0.16 N ATOM 1332 CA LEU A 84 76.471 6.891 -3.064 1.00 0.15 C ATOM 1333 C LEU A 84 77.735 7.637 -3.489 1.00 0.15 C ATOM 1334 O LEU A 84 77.866 8.824 -3.255 1.00 0.17 O ATOM 1335 CB LEU A 84 75.355 7.081 -4.086 1.00 0.18 C ATOM 1336 CG LEU A 84 74.392 5.891 -4.005 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.969 6.333 -4.392 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.877 4.793 -4.960 1.00 0.28 C ATOM 0 H LEU A 84 75.175 8.115 -1.878 1.00 0.16 H new ATOM 0 HA LEU A 84 76.736 5.838 -2.967 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.821 8.011 -3.891 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.773 7.158 -5.090 1.00 0.18 H new ATOM 0 HG LEU A 84 74.370 5.508 -2.985 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.294 5.480 -4.331 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.632 7.112 -3.709 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.973 6.720 -5.411 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.198 3.941 -4.910 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.899 5.180 -5.979 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.879 4.476 -4.671 1.00 0.28 H new ATOM 1350 N LEU A 85 78.705 6.928 -4.010 1.00 0.14 N ATOM 1351 CA LEU A 85 80.016 7.563 -4.337 1.00 0.17 C ATOM 1352 C LEU A 85 80.259 7.571 -5.849 1.00 0.18 C ATOM 1353 O LEU A 85 80.959 8.427 -6.359 1.00 0.24 O ATOM 1354 CB LEU A 85 81.058 6.702 -3.623 1.00 0.22 C ATOM 1355 CG LEU A 85 81.291 7.252 -2.215 1.00 0.89 C ATOM 1356 CD1 LEU A 85 82.013 6.204 -1.368 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.148 8.518 -2.298 1.00 1.60 C ATOM 0 H LEU A 85 78.644 5.932 -4.223 1.00 0.14 H new ATOM 0 HA LEU A 85 80.056 8.604 -4.018 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.717 5.668 -3.570 1.00 0.22 H new ATOM 0 HB3 LEU A 85 81.992 6.701 -4.185 1.00 0.22 H new ATOM 0 HG LEU A 85 80.331 7.490 -1.756 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.178 6.598 -0.365 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.404 5.302 -1.308 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.972 5.964 -1.826 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.315 8.911 -1.295 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.107 8.279 -2.758 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.633 9.267 -2.900 1.00 1.60 H new ATOM 1369 N GLY A 86 79.733 6.597 -6.561 1.00 0.16 N ATOM 1370 CA GLY A 86 79.996 6.529 -8.039 1.00 0.20 C ATOM 1371 C GLY A 86 79.067 5.517 -8.716 1.00 0.17 C ATOM 1372 O GLY A 86 78.197 4.948 -8.089 1.00 0.15 O ATOM 0 H GLY A 86 79.140 5.855 -6.188 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.852 7.514 -8.483 1.00 0.20 H new ATOM 0 HA3 GLY A 86 81.035 6.249 -8.215 1.00 0.20 H new ATOM 1376 N HIS A 87 79.223 5.330 -10.008 1.00 0.20 N ATOM 1377 CA HIS A 87 78.319 4.401 -10.762 1.00 0.19 C ATOM 1378 C HIS A 87 79.092 3.678 -11.880 1.00 0.19 C ATOM 1379 O HIS A 87 80.039 4.210 -12.428 1.00 0.24 O ATOM 1380 CB HIS A 87 77.224 5.303 -11.359 1.00 0.28 C ATOM 1381 CG HIS A 87 77.835 6.346 -12.265 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.012 6.133 -13.623 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.311 7.610 -12.018 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.573 7.243 -14.137 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.777 8.175 -13.202 1.00 1.89 N ATOM 0 H HIS A 87 79.941 5.783 -10.574 1.00 0.20 H new ATOM 0 HA HIS A 87 77.904 3.626 -10.118 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.512 4.698 -11.920 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.668 5.789 -10.558 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.322 8.093 -11.052 1.00 1.72 H new ATOM 0 HE1 HIS A 87 78.828 7.365 -15.179 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.186 9.101 -13.328 1.00 1.89 H new ATOM 1393 N TYR A 88 78.644 2.503 -12.265 1.00 0.16 N ATOM 1394 CA TYR A 88 79.291 1.779 -13.401 1.00 0.19 C ATOM 1395 C TYR A 88 78.225 1.125 -14.286 1.00 0.21 C ATOM 1396 O TYR A 88 77.219 0.637 -13.800 1.00 0.17 O ATOM 1397 CB TYR A 88 80.173 0.716 -12.745 1.00 0.21 C ATOM 1398 CG TYR A 88 81.288 1.389 -11.981 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.480 1.801 -12.667 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.157 1.618 -10.570 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.540 2.441 -11.942 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.217 2.257 -9.845 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.409 2.669 -10.531 1.00 0.65 C ATOM 1404 OH TYR A 88 84.428 3.284 -9.835 1.00 0.80 O ATOM 0 H TYR A 88 77.856 2.016 -11.838 1.00 0.16 H new ATOM 0 HA TYR A 88 79.869 2.446 -14.041 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.578 0.099 -12.072 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.587 0.052 -13.504 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.579 1.629 -13.729 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.260 1.309 -10.054 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.437 2.751 -12.458 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.118 2.428 -8.783 1.00 0.70 H new ATOM 0 HH TYR A 88 84.141 3.450 -8.913 1.00 0.80 H new ATOM 1414 N LYS A 89 78.454 1.088 -15.576 1.00 0.29 N ATOM 1415 CA LYS A 89 77.475 0.439 -16.502 1.00 0.33 C ATOM 1416 C LYS A 89 78.131 -0.750 -17.223 1.00 0.52 C ATOM 1417 O LYS A 89 79.327 -0.743 -17.443 1.00 0.94 O ATOM 1418 CB LYS A 89 77.095 1.531 -17.504 1.00 0.48 C ATOM 1419 CG LYS A 89 75.788 1.152 -18.203 1.00 1.38 C ATOM 1420 CD LYS A 89 75.067 2.420 -18.662 1.00 1.82 C ATOM 1421 CE LYS A 89 74.069 2.859 -17.588 1.00 2.32 C ATOM 1422 NZ LYS A 89 73.323 3.995 -18.198 1.00 2.99 N ATOM 0 H LYS A 89 79.279 1.481 -16.029 1.00 0.29 H new ATOM 0 HA LYS A 89 76.605 0.048 -15.975 1.00 0.33 H new ATOM 0 HB2 LYS A 89 76.981 2.486 -16.991 1.00 0.48 H new ATOM 0 HB3 LYS A 89 77.890 1.657 -18.239 1.00 0.48 H new ATOM 0 HG2 LYS A 89 75.994 0.509 -19.058 1.00 1.38 H new ATOM 0 HG3 LYS A 89 75.151 0.585 -17.524 1.00 1.38 H new ATOM 0 HD2 LYS A 89 75.790 3.215 -18.848 1.00 1.82 H new ATOM 0 HD3 LYS A 89 74.547 2.235 -19.602 1.00 1.82 H new ATOM 0 HE2 LYS A 89 73.397 2.045 -17.317 1.00 2.32 H new ATOM 0 HE3 LYS A 89 74.580 3.167 -16.676 1.00 2.32 H new ATOM 0 HZ1 LYS A 89 72.619 4.351 -17.521 1.00 2.99 H new ATOM 0 HZ2 LYS A 89 73.988 4.757 -18.439 1.00 2.99 H new ATOM 0 HZ3 LYS A 89 72.841 3.671 -19.061 1.00 2.99 H new ATOM 1436 N PRO A 90 77.335 -1.743 -17.584 1.00 0.71 N ATOM 1437 CA PRO A 90 77.879 -2.939 -18.300 1.00 0.93 C ATOM 1438 C PRO A 90 78.617 -2.522 -19.579 1.00 0.85 C ATOM 1439 O PRO A 90 78.203 -1.611 -20.273 1.00 1.30 O ATOM 1440 CB PRO A 90 76.622 -3.737 -18.638 1.00 1.39 C ATOM 1441 CG PRO A 90 75.658 -3.344 -17.572 1.00 1.68 C ATOM 1442 CD PRO A 90 75.877 -1.875 -17.371 1.00 1.19 C ATOM 0 HA PRO A 90 78.602 -3.501 -17.709 1.00 0.93 H new ATOM 0 HB2 PRO A 90 76.245 -3.489 -19.630 1.00 1.39 H new ATOM 0 HB3 PRO A 90 76.814 -4.810 -18.629 1.00 1.39 H new ATOM 0 HG2 PRO A 90 74.631 -3.552 -17.873 1.00 1.68 H new ATOM 0 HG3 PRO A 90 75.840 -3.899 -16.652 1.00 1.68 H new ATOM 0 HD2 PRO A 90 75.306 -1.278 -18.082 1.00 1.19 H new ATOM 0 HD3 PRO A 90 75.581 -1.552 -16.373 1.00 1.19 H new ATOM 1450 N ARG A 91 79.694 -3.198 -19.899 1.00 1.61 N ATOM 1451 CA ARG A 91 80.457 -2.869 -21.141 1.00 1.99 C ATOM 1452 C ARG A 91 80.847 -4.152 -21.885 1.00 2.65 C ATOM 1453 O ARG A 91 80.892 -5.223 -21.307 1.00 3.38 O ATOM 1454 CB ARG A 91 81.697 -2.106 -20.657 1.00 3.06 C ATOM 1455 CG ARG A 91 82.529 -2.990 -19.717 1.00 3.64 C ATOM 1456 CD ARG A 91 83.619 -2.145 -19.055 1.00 4.74 C ATOM 1457 NE ARG A 91 84.446 -3.121 -18.277 1.00 5.48 N ATOM 1458 CZ ARG A 91 85.346 -3.893 -18.863 1.00 6.33 C ATOM 1459 NH1 ARG A 91 85.565 -3.848 -20.160 1.00 6.87 N ATOM 1460 NH2 ARG A 91 86.037 -4.725 -18.133 1.00 6.83 N ATOM 0 H ARG A 91 80.078 -3.967 -19.350 1.00 1.61 H new ATOM 0 HA ARG A 91 79.871 -2.275 -21.843 1.00 1.99 H new ATOM 0 HB2 ARG A 91 82.302 -1.801 -21.511 1.00 3.06 H new ATOM 0 HB3 ARG A 91 81.394 -1.196 -20.139 1.00 3.06 H new ATOM 0 HG2 ARG A 91 81.887 -3.436 -18.957 1.00 3.64 H new ATOM 0 HG3 ARG A 91 82.979 -3.811 -20.276 1.00 3.64 H new ATOM 0 HD2 ARG A 91 84.220 -1.623 -19.799 1.00 4.74 H new ATOM 0 HD3 ARG A 91 83.188 -1.385 -18.403 1.00 4.74 H new ATOM 0 HE ARG A 91 84.312 -3.192 -17.268 1.00 5.48 H new ATOM 0 HH11 ARG A 91 85.033 -3.204 -20.745 1.00 6.87 H new ATOM 0 HH12 ARG A 91 86.267 -4.457 -20.580 1.00 6.87 H new ATOM 0 HH21 ARG A 91 85.879 -4.773 -17.126 1.00 6.83 H new ATOM 0 HH22 ARG A 91 86.735 -5.328 -18.569 1.00 6.83 H new ATOM 1474 N ASN A 92 81.133 -4.044 -23.160 1.00 3.10 N ATOM 1475 CA ASN A 92 81.526 -5.248 -23.955 1.00 4.24 C ATOM 1476 C ASN A 92 83.050 -5.325 -24.077 1.00 4.85 C ATOM 1477 O ASN A 92 83.600 -6.358 -23.734 1.00 5.20 O ATOM 1478 CB ASN A 92 80.886 -5.042 -25.330 1.00 4.82 C ATOM 1479 CG ASN A 92 80.884 -6.362 -26.111 1.00 5.68 C ATOM 1480 OD1 ASN A 92 81.522 -7.323 -25.723 1.00 5.95 O ATOM 1481 ND2 ASN A 92 80.184 -6.451 -27.210 1.00 6.47 N ATOM 1482 OXT ASN A 92 83.640 -4.350 -24.512 1.00 5.35 O ATOM 0 H ASN A 92 81.111 -3.170 -23.685 1.00 3.10 H new ATOM 0 HA ASN A 92 81.197 -6.177 -23.489 1.00 4.24 H new ATOM 0 HB2 ASN A 92 79.865 -4.677 -25.214 1.00 4.82 H new ATOM 0 HB3 ASN A 92 81.435 -4.282 -25.886 1.00 4.82 H new ATOM 0 HD21 ASN A 92 80.174 -7.323 -27.739 1.00 6.47 H new ATOM 0 HD22 ASN A 92 79.648 -5.648 -27.539 1.00 6.47 H new TER 1489 ASN A 92