USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=15 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 -165:sc= -1.48 (180deg=-1.85!) USER MOD Single : A 1 MET N :NH3+ -130:sc= 0.0715 (180deg=-0.287) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.45) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -9:sc= -2 USER MOD Single : A 12 HIS : no HD1:sc= -0.548 X(o=-0.55,f=-0.23) USER MOD Single : A 23 THR OG1 : rot -90:sc= -1.13 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -167:sc= -0.77 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 141:sc= 0.147 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -0.0267 (180deg=-0.611) USER MOD Single : A 42 TYR OH : rot -87:sc= 0.0758 USER MOD Single : A 48 LYS NZ :NH3+ -113:sc= 1.17 (180deg=-1.15) USER MOD Single : A 51 THR OG1 : rot 180:sc= -1.92 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.36) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00199 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -136:sc= 0.0269 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.0872 K(o=-0.087,f=-0.77) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 82.997 13.794 1.012 1.00 1.31 N ATOM 2 CA MET A 1 83.311 13.717 -0.444 1.00 0.79 C ATOM 3 C MET A 1 82.049 13.939 -1.278 1.00 0.68 C ATOM 4 O MET A 1 81.002 14.281 -0.758 1.00 0.82 O ATOM 5 CB MET A 1 83.852 12.304 -0.663 1.00 1.18 C ATOM 6 CG MET A 1 85.272 12.214 -0.109 1.00 1.69 C ATOM 7 SD MET A 1 85.970 10.589 -0.494 1.00 2.57 S ATOM 8 CE MET A 1 84.740 9.598 0.390 1.00 2.76 C ATOM 0 H1 MET A 1 83.665 14.441 1.478 1.00 1.31 H new ATOM 0 H2 MET A 1 82.027 14.148 1.140 1.00 1.31 H new ATOM 0 H3 MET A 1 83.079 12.848 1.435 1.00 1.31 H new ATOM 0 HA MET A 1 84.027 14.481 -0.746 1.00 0.79 H new ATOM 0 HB2 MET A 1 83.210 11.576 -0.168 1.00 1.18 H new ATOM 0 HB3 MET A 1 83.848 12.062 -1.726 1.00 1.18 H new ATOM 0 HG2 MET A 1 85.892 12.999 -0.541 1.00 1.69 H new ATOM 0 HG3 MET A 1 85.263 12.371 0.970 1.00 1.69 H new ATOM 0 HE1 MET A 1 85.113 8.581 0.514 1.00 2.76 H new ATOM 0 HE2 MET A 1 84.554 10.038 1.370 1.00 2.76 H new ATOM 0 HE3 MET A 1 83.811 9.577 -0.180 1.00 2.76 H new ATOM 20 N ASP A 2 82.145 13.729 -2.566 1.00 0.57 N ATOM 21 CA ASP A 2 80.955 13.905 -3.455 1.00 0.50 C ATOM 22 C ASP A 2 79.986 12.735 -3.274 1.00 0.41 C ATOM 23 O ASP A 2 80.398 11.594 -3.159 1.00 0.38 O ATOM 24 CB ASP A 2 81.512 13.921 -4.882 1.00 0.54 C ATOM 25 CG ASP A 2 82.424 15.137 -5.073 1.00 0.92 C ATOM 26 OD1 ASP A 2 82.192 16.142 -4.419 1.00 1.70 O ATOM 27 OD2 ASP A 2 83.343 15.042 -5.870 1.00 1.37 O ATOM 0 H ASP A 2 83.000 13.442 -3.043 1.00 0.57 H new ATOM 0 HA ASP A 2 80.405 14.818 -3.226 1.00 0.50 H new ATOM 0 HB2 ASP A 2 82.069 13.004 -5.074 1.00 0.54 H new ATOM 0 HB3 ASP A 2 80.693 13.953 -5.601 1.00 0.54 H new ATOM 32 N VAL A 3 78.703 13.006 -3.291 1.00 0.40 N ATOM 33 CA VAL A 3 77.701 11.915 -3.168 1.00 0.33 C ATOM 34 C VAL A 3 76.671 12.032 -4.303 1.00 0.31 C ATOM 35 O VAL A 3 76.163 13.107 -4.575 1.00 0.37 O ATOM 36 CB VAL A 3 77.083 12.112 -1.759 1.00 0.36 C ATOM 37 CG1 VAL A 3 75.990 13.198 -1.742 1.00 0.41 C ATOM 38 CG2 VAL A 3 76.480 10.790 -1.279 1.00 0.30 C ATOM 0 H VAL A 3 78.311 13.943 -3.386 1.00 0.40 H new ATOM 0 HA VAL A 3 78.122 10.914 -3.261 1.00 0.33 H new ATOM 0 HB VAL A 3 77.884 12.437 -1.096 1.00 0.36 H new ATOM 0 HG11 VAL A 3 75.590 13.296 -0.733 1.00 0.41 H new ATOM 0 HG12 VAL A 3 76.418 14.150 -2.057 1.00 0.41 H new ATOM 0 HG13 VAL A 3 75.188 12.917 -2.424 1.00 0.41 H new ATOM 0 HG21 VAL A 3 76.045 10.927 -0.289 1.00 0.30 H new ATOM 0 HG22 VAL A 3 75.704 10.470 -1.975 1.00 0.30 H new ATOM 0 HG23 VAL A 3 77.260 10.030 -1.231 1.00 0.30 H new ATOM 48 N LEU A 4 76.355 10.942 -4.942 1.00 0.26 N ATOM 49 CA LEU A 4 75.346 10.981 -6.045 1.00 0.28 C ATOM 50 C LEU A 4 73.923 10.939 -5.466 1.00 0.28 C ATOM 51 O LEU A 4 72.982 11.392 -6.090 1.00 0.30 O ATOM 52 CB LEU A 4 75.630 9.740 -6.914 1.00 0.27 C ATOM 53 CG LEU A 4 77.124 9.659 -7.312 1.00 0.27 C ATOM 54 CD1 LEU A 4 77.320 8.521 -8.314 1.00 0.36 C ATOM 55 CD2 LEU A 4 77.596 10.979 -7.948 1.00 0.37 C ATOM 0 H LEU A 4 76.751 10.022 -4.750 1.00 0.26 H new ATOM 0 HA LEU A 4 75.417 11.897 -6.632 1.00 0.28 H new ATOM 0 HB2 LEU A 4 75.348 8.840 -6.368 1.00 0.27 H new ATOM 0 HB3 LEU A 4 75.014 9.774 -7.813 1.00 0.27 H new ATOM 0 HG LEU A 4 77.712 9.476 -6.413 1.00 0.27 H new ATOM 0 HD11 LEU A 4 78.371 8.462 -8.596 1.00 0.36 H new ATOM 0 HD12 LEU A 4 77.012 7.579 -7.860 1.00 0.36 H new ATOM 0 HD13 LEU A 4 76.716 8.710 -9.202 1.00 0.36 H new ATOM 0 HD21 LEU A 4 78.649 10.896 -8.219 1.00 0.37 H new ATOM 0 HD22 LEU A 4 77.006 11.184 -8.842 1.00 0.37 H new ATOM 0 HD23 LEU A 4 77.468 11.793 -7.235 1.00 0.37 H new ATOM 67 N ALA A 5 73.773 10.468 -4.246 1.00 0.25 N ATOM 68 CA ALA A 5 72.435 10.474 -3.581 1.00 0.25 C ATOM 69 C ALA A 5 72.600 10.079 -2.113 1.00 0.23 C ATOM 70 O ALA A 5 73.566 9.434 -1.749 1.00 0.25 O ATOM 71 CB ALA A 5 71.598 9.433 -4.329 1.00 0.26 C ATOM 0 H ALA A 5 74.529 10.078 -3.683 1.00 0.25 H new ATOM 0 HA ALA A 5 71.960 11.455 -3.608 1.00 0.25 H new ATOM 0 HB1 ALA A 5 70.601 9.385 -3.891 1.00 0.26 H new ATOM 0 HB2 ALA A 5 71.520 9.715 -5.379 1.00 0.26 H new ATOM 0 HB3 ALA A 5 72.076 8.457 -4.250 1.00 0.26 H new ATOM 77 N LYS A 6 71.707 10.520 -1.264 1.00 0.22 N ATOM 78 CA LYS A 6 71.850 10.242 0.198 1.00 0.22 C ATOM 79 C LYS A 6 70.518 9.758 0.776 1.00 0.21 C ATOM 80 O LYS A 6 69.502 10.414 0.632 1.00 0.23 O ATOM 81 CB LYS A 6 72.240 11.590 0.803 1.00 0.24 C ATOM 82 CG LYS A 6 72.557 11.420 2.287 1.00 1.40 C ATOM 83 CD LYS A 6 72.963 12.771 2.876 1.00 1.50 C ATOM 84 CE LYS A 6 73.802 12.545 4.133 1.00 1.79 C ATOM 85 NZ LYS A 6 73.609 13.773 4.954 1.00 2.30 N ATOM 0 H LYS A 6 70.882 11.062 -1.521 1.00 0.22 H new ATOM 0 HA LYS A 6 72.585 9.465 0.409 1.00 0.22 H new ATOM 0 HB2 LYS A 6 73.107 11.996 0.281 1.00 0.24 H new ATOM 0 HB3 LYS A 6 71.427 12.305 0.675 1.00 0.24 H new ATOM 0 HG2 LYS A 6 71.687 11.028 2.814 1.00 1.40 H new ATOM 0 HG3 LYS A 6 73.362 10.697 2.418 1.00 1.40 H new ATOM 0 HD2 LYS A 6 73.532 13.343 2.143 1.00 1.50 H new ATOM 0 HD3 LYS A 6 72.076 13.356 3.118 1.00 1.50 H new ATOM 0 HE2 LYS A 6 73.474 11.655 4.671 1.00 1.79 H new ATOM 0 HE3 LYS A 6 74.853 12.398 3.884 1.00 1.79 H new ATOM 0 HZ1 LYS A 6 74.156 13.691 5.835 1.00 2.30 H new ATOM 0 HZ2 LYS A 6 73.936 14.603 4.419 1.00 2.30 H new ATOM 0 HZ3 LYS A 6 72.600 13.883 5.182 1.00 2.30 H new ATOM 99 N PHE A 7 70.513 8.616 1.427 1.00 0.19 N ATOM 100 CA PHE A 7 69.239 8.092 2.014 1.00 0.19 C ATOM 101 C PHE A 7 69.518 7.248 3.266 1.00 0.17 C ATOM 102 O PHE A 7 70.639 6.862 3.523 1.00 0.16 O ATOM 103 CB PHE A 7 68.604 7.258 0.892 1.00 0.20 C ATOM 104 CG PHE A 7 69.485 6.080 0.528 1.00 0.19 C ATOM 105 CD1 PHE A 7 70.700 6.289 -0.207 1.00 0.19 C ATOM 106 CD2 PHE A 7 69.100 4.753 0.914 1.00 0.19 C ATOM 107 CE1 PHE A 7 71.529 5.170 -0.555 1.00 0.19 C ATOM 108 CE2 PHE A 7 69.929 3.635 0.564 1.00 0.20 C ATOM 109 CZ PHE A 7 71.143 3.843 -0.169 1.00 0.20 C ATOM 0 H PHE A 7 71.333 8.028 1.576 1.00 0.19 H new ATOM 0 HA PHE A 7 68.574 8.890 2.344 1.00 0.19 H new ATOM 0 HB2 PHE A 7 67.625 6.900 1.209 1.00 0.20 H new ATOM 0 HB3 PHE A 7 68.446 7.884 0.014 1.00 0.20 H new ATOM 0 HD1 PHE A 7 70.990 7.288 -0.498 1.00 0.19 H new ATOM 0 HD2 PHE A 7 68.186 4.595 1.468 1.00 0.19 H new ATOM 0 HE1 PHE A 7 72.444 5.327 -1.108 1.00 0.19 H new ATOM 0 HE2 PHE A 7 69.638 2.636 0.853 1.00 0.20 H new ATOM 0 HZ PHE A 7 71.767 3.001 -0.431 1.00 0.20 H new ATOM 119 N HIS A 8 68.508 7.017 4.070 1.00 0.18 N ATOM 120 CA HIS A 8 68.707 6.261 5.346 1.00 0.18 C ATOM 121 C HIS A 8 67.988 4.909 5.277 1.00 0.17 C ATOM 122 O HIS A 8 66.850 4.824 4.851 1.00 0.18 O ATOM 123 CB HIS A 8 68.077 7.138 6.430 1.00 0.20 C ATOM 124 CG HIS A 8 68.803 8.453 6.509 1.00 0.77 C ATOM 125 ND1 HIS A 8 69.959 8.615 7.256 1.00 1.41 N ATOM 126 CD2 HIS A 8 68.546 9.677 5.944 1.00 1.61 C ATOM 127 CE1 HIS A 8 70.351 9.895 7.122 1.00 1.81 C ATOM 128 NE2 HIS A 8 69.525 10.587 6.332 1.00 1.99 N ATOM 0 H HIS A 8 67.550 7.321 3.896 1.00 0.18 H new ATOM 0 HA HIS A 8 69.760 6.057 5.542 1.00 0.18 H new ATOM 0 HB2 HIS A 8 67.024 7.307 6.207 1.00 0.20 H new ATOM 0 HB3 HIS A 8 68.121 6.629 7.393 1.00 0.20 H new ATOM 0 HD2 HIS A 8 67.711 9.900 5.297 1.00 1.61 H new ATOM 0 HE1 HIS A 8 71.227 10.313 7.596 1.00 1.81 H new ATOM 0 HE2 HIS A 8 69.596 11.570 6.070 1.00 1.99 H new ATOM 136 N THR A 9 68.624 3.870 5.751 1.00 0.16 N ATOM 137 CA THR A 9 67.971 2.524 5.791 1.00 0.17 C ATOM 138 C THR A 9 68.546 1.707 6.959 1.00 0.16 C ATOM 139 O THR A 9 69.621 2.004 7.441 1.00 0.15 O ATOM 140 CB THR A 9 68.282 1.881 4.422 1.00 0.17 C ATOM 141 OG1 THR A 9 67.533 0.682 4.288 1.00 0.18 O ATOM 142 CG2 THR A 9 69.778 1.566 4.291 1.00 0.17 C ATOM 0 H THR A 9 69.576 3.895 6.116 1.00 0.16 H new ATOM 0 HA THR A 9 66.895 2.576 5.954 1.00 0.17 H new ATOM 0 HB THR A 9 68.008 2.585 3.636 1.00 0.17 H new ATOM 0 HG1 THR A 9 67.726 0.271 3.419 1.00 0.18 H new ATOM 0 HG21 THR A 9 69.971 1.114 3.318 1.00 0.17 H new ATOM 0 HG22 THR A 9 70.353 2.487 4.383 1.00 0.17 H new ATOM 0 HG23 THR A 9 70.074 0.873 5.078 1.00 0.17 H new ATOM 150 N THR A 10 67.871 0.661 7.376 1.00 0.17 N ATOM 151 CA THR A 10 68.429 -0.195 8.472 1.00 0.17 C ATOM 152 C THR A 10 68.852 -1.560 7.911 1.00 0.17 C ATOM 153 O THR A 10 68.438 -1.953 6.835 1.00 0.17 O ATOM 154 CB THR A 10 67.311 -0.310 9.541 1.00 0.17 C ATOM 155 OG1 THR A 10 67.870 -0.778 10.756 1.00 0.17 O ATOM 156 CG2 THR A 10 66.202 -1.281 9.117 1.00 0.17 C ATOM 0 H THR A 10 66.967 0.365 7.009 1.00 0.17 H new ATOM 0 HA THR A 10 69.325 0.235 8.919 1.00 0.17 H new ATOM 0 HB THR A 10 66.874 0.681 9.662 1.00 0.17 H new ATOM 0 HG1 THR A 10 68.799 -1.051 10.605 1.00 0.17 H new ATOM 0 HG21 THR A 10 65.442 -1.328 9.897 1.00 0.17 H new ATOM 0 HG22 THR A 10 65.748 -0.933 8.189 1.00 0.17 H new ATOM 0 HG23 THR A 10 66.626 -2.273 8.963 1.00 0.17 H new ATOM 164 N VAL A 11 69.707 -2.253 8.616 1.00 0.17 N ATOM 165 CA VAL A 11 70.207 -3.569 8.114 1.00 0.17 C ATOM 166 C VAL A 11 69.162 -4.659 8.356 1.00 0.17 C ATOM 167 O VAL A 11 68.635 -4.794 9.442 1.00 0.17 O ATOM 168 CB VAL A 11 71.484 -3.858 8.920 1.00 0.21 C ATOM 169 CG1 VAL A 11 72.096 -5.187 8.455 1.00 0.29 C ATOM 170 CG2 VAL A 11 72.501 -2.726 8.709 1.00 0.49 C ATOM 0 H VAL A 11 70.082 -1.965 9.520 1.00 0.17 H new ATOM 0 HA VAL A 11 70.404 -3.548 7.042 1.00 0.17 H new ATOM 0 HB VAL A 11 71.232 -3.923 9.978 1.00 0.21 H new ATOM 0 HG11 VAL A 11 73.001 -5.391 9.027 1.00 0.29 H new ATOM 0 HG12 VAL A 11 71.379 -5.993 8.612 1.00 0.29 H new ATOM 0 HG13 VAL A 11 72.343 -5.123 7.395 1.00 0.29 H new ATOM 0 HG21 VAL A 11 73.404 -2.936 9.283 1.00 0.49 H new ATOM 0 HG22 VAL A 11 72.752 -2.655 7.651 1.00 0.49 H new ATOM 0 HG23 VAL A 11 72.070 -1.783 9.044 1.00 0.49 H new ATOM 180 N HIS A 12 68.947 -5.495 7.377 1.00 0.21 N ATOM 181 CA HIS A 12 68.043 -6.669 7.555 1.00 0.25 C ATOM 182 C HIS A 12 68.847 -7.958 7.423 1.00 0.25 C ATOM 183 O HIS A 12 70.030 -7.937 7.143 1.00 0.25 O ATOM 184 CB HIS A 12 66.993 -6.580 6.450 1.00 0.26 C ATOM 185 CG HIS A 12 65.863 -5.699 6.906 1.00 0.31 C ATOM 186 ND1 HIS A 12 66.044 -4.357 7.200 1.00 0.24 N ATOM 187 CD2 HIS A 12 64.533 -5.957 7.130 1.00 0.68 C ATOM 188 CE1 HIS A 12 64.854 -3.862 7.582 1.00 0.23 C ATOM 189 NE2 HIS A 12 63.898 -4.794 7.557 1.00 0.56 N ATOM 0 H HIS A 12 69.364 -5.414 6.450 1.00 0.21 H new ATOM 0 HA HIS A 12 67.572 -6.669 8.538 1.00 0.25 H new ATOM 0 HB2 HIS A 12 67.439 -6.177 5.541 1.00 0.26 H new ATOM 0 HB3 HIS A 12 66.619 -7.575 6.208 1.00 0.26 H new ATOM 0 HD2 HIS A 12 64.053 -6.915 6.996 1.00 0.68 H new ATOM 0 HE1 HIS A 12 64.691 -2.835 7.874 1.00 0.23 H new ATOM 0 HE2 HIS A 12 62.914 -4.679 7.799 1.00 0.56 H new ATOM 197 N ARG A 13 68.232 -9.075 7.715 1.00 0.29 N ATOM 198 CA ARG A 13 68.961 -10.393 7.711 1.00 0.32 C ATOM 199 C ARG A 13 69.836 -10.567 6.454 1.00 0.29 C ATOM 200 O ARG A 13 69.605 -9.951 5.434 1.00 0.24 O ATOM 201 CB ARG A 13 67.847 -11.439 7.717 1.00 0.36 C ATOM 202 CG ARG A 13 67.151 -11.441 9.079 1.00 0.72 C ATOM 203 CD ARG A 13 66.070 -12.525 9.099 1.00 1.16 C ATOM 204 NE ARG A 13 66.820 -13.819 9.053 1.00 1.81 N ATOM 205 CZ ARG A 13 67.460 -14.293 10.109 1.00 2.39 C ATOM 206 NH1 ARG A 13 67.473 -13.654 11.259 1.00 2.96 N ATOM 207 NH2 ARG A 13 68.096 -15.428 10.007 1.00 2.76 N ATOM 0 H ARG A 13 67.244 -9.137 7.960 1.00 0.29 H new ATOM 0 HA ARG A 13 69.639 -10.475 8.561 1.00 0.32 H new ATOM 0 HB2 ARG A 13 67.126 -11.221 6.929 1.00 0.36 H new ATOM 0 HB3 ARG A 13 68.260 -12.426 7.507 1.00 0.36 H new ATOM 0 HG2 ARG A 13 67.878 -11.623 9.870 1.00 0.72 H new ATOM 0 HG3 ARG A 13 66.706 -10.465 9.273 1.00 0.72 H new ATOM 0 HD2 ARG A 13 65.457 -12.455 9.998 1.00 1.16 H new ATOM 0 HD3 ARG A 13 65.397 -12.428 8.247 1.00 1.16 H new ATOM 0 HE ARG A 13 66.838 -14.351 8.183 1.00 1.81 H new ATOM 0 HH11 ARG A 13 66.980 -12.766 11.355 1.00 2.96 H new ATOM 0 HH12 ARG A 13 67.976 -14.046 12.055 1.00 2.96 H new ATOM 0 HH21 ARG A 13 68.095 -15.936 9.122 1.00 2.76 H new ATOM 0 HH22 ARG A 13 68.595 -15.807 10.812 1.00 2.76 H new ATOM 221 N ILE A 14 70.894 -11.340 6.569 1.00 0.34 N ATOM 222 CA ILE A 14 71.884 -11.526 5.441 1.00 0.34 C ATOM 223 C ILE A 14 72.588 -10.211 5.046 1.00 0.28 C ATOM 224 O ILE A 14 73.310 -10.182 4.064 1.00 0.29 O ATOM 225 CB ILE A 14 71.092 -12.074 4.236 1.00 0.36 C ATOM 226 CG1 ILE A 14 70.309 -13.327 4.640 1.00 0.31 C ATOM 227 CG2 ILE A 14 72.067 -12.438 3.115 1.00 0.42 C ATOM 228 CD1 ILE A 14 69.309 -13.672 3.536 1.00 0.36 C ATOM 0 H ILE A 14 71.122 -11.863 7.414 1.00 0.34 H new ATOM 0 HA ILE A 14 72.669 -12.210 5.762 1.00 0.34 H new ATOM 0 HB ILE A 14 70.394 -11.309 3.895 1.00 0.36 H new ATOM 0 HG12 ILE A 14 70.992 -14.161 4.802 1.00 0.31 H new ATOM 0 HG13 ILE A 14 69.786 -13.156 5.581 1.00 0.31 H new ATOM 0 HG21 ILE A 14 71.511 -12.826 2.261 1.00 0.42 H new ATOM 0 HG22 ILE A 14 72.623 -11.550 2.813 1.00 0.42 H new ATOM 0 HG23 ILE A 14 72.763 -13.198 3.471 1.00 0.42 H new ATOM 0 HD11 ILE A 14 68.749 -14.563 3.818 1.00 0.36 H new ATOM 0 HD12 ILE A 14 68.620 -12.839 3.396 1.00 0.36 H new ATOM 0 HD13 ILE A 14 69.845 -13.860 2.605 1.00 0.36 H new ATOM 240 N GLY A 15 72.408 -9.133 5.785 1.00 0.24 N ATOM 241 CA GLY A 15 73.092 -7.851 5.426 1.00 0.20 C ATOM 242 C GLY A 15 72.364 -7.162 4.260 1.00 0.17 C ATOM 243 O GLY A 15 72.932 -6.321 3.587 1.00 0.15 O ATOM 0 H GLY A 15 71.819 -9.091 6.616 1.00 0.24 H new ATOM 0 HA2 GLY A 15 73.114 -7.189 6.291 1.00 0.20 H new ATOM 0 HA3 GLY A 15 74.128 -8.049 5.150 1.00 0.20 H new ATOM 247 N ARG A 16 71.142 -7.559 3.971 1.00 0.18 N ATOM 248 CA ARG A 16 70.413 -6.978 2.800 1.00 0.18 C ATOM 249 C ARG A 16 69.731 -5.664 3.196 1.00 0.19 C ATOM 250 O ARG A 16 69.134 -5.567 4.250 1.00 0.24 O ATOM 251 CB ARG A 16 69.373 -8.043 2.429 1.00 0.26 C ATOM 252 CG ARG A 16 68.543 -7.583 1.229 1.00 0.26 C ATOM 253 CD ARG A 16 67.430 -8.604 0.973 1.00 0.76 C ATOM 254 NE ARG A 16 66.714 -8.116 -0.248 1.00 0.91 N ATOM 255 CZ ARG A 16 65.975 -8.925 -0.990 1.00 1.31 C ATOM 256 NH1 ARG A 16 65.834 -10.202 -0.702 1.00 1.96 N ATOM 257 NH2 ARG A 16 65.364 -8.444 -2.036 1.00 1.41 N ATOM 0 H ARG A 16 70.621 -8.260 4.498 1.00 0.18 H new ATOM 0 HA ARG A 16 71.076 -6.743 1.967 1.00 0.18 H new ATOM 0 HB2 ARG A 16 69.873 -8.983 2.194 1.00 0.26 H new ATOM 0 HB3 ARG A 16 68.719 -8.234 3.280 1.00 0.26 H new ATOM 0 HG2 ARG A 16 68.115 -6.599 1.422 1.00 0.26 H new ATOM 0 HG3 ARG A 16 69.177 -7.487 0.347 1.00 0.26 H new ATOM 0 HD2 ARG A 16 67.841 -9.601 0.815 1.00 0.76 H new ATOM 0 HD3 ARG A 16 66.753 -8.669 1.825 1.00 0.76 H new ATOM 0 HE ARG A 16 66.798 -7.135 -0.515 1.00 0.91 H new ATOM 0 HH11 ARG A 16 66.302 -10.595 0.114 1.00 1.96 H new ATOM 0 HH12 ARG A 16 65.257 -10.798 -1.295 1.00 1.96 H new ATOM 0 HH21 ARG A 16 65.459 -7.456 -2.273 1.00 1.41 H new ATOM 0 HH22 ARG A 16 64.791 -9.055 -2.618 1.00 1.41 H new ATOM 271 N ILE A 17 69.706 -4.707 2.300 1.00 0.18 N ATOM 272 CA ILE A 17 68.918 -3.458 2.544 1.00 0.21 C ATOM 273 C ILE A 17 68.116 -3.104 1.287 1.00 0.19 C ATOM 274 O ILE A 17 68.526 -3.418 0.184 1.00 0.15 O ATOM 275 CB ILE A 17 69.949 -2.365 2.878 1.00 0.24 C ATOM 276 CG1 ILE A 17 70.900 -2.141 1.690 1.00 0.23 C ATOM 277 CG2 ILE A 17 70.765 -2.785 4.103 1.00 0.26 C ATOM 278 CD1 ILE A 17 71.706 -0.850 1.897 1.00 0.30 C ATOM 0 H ILE A 17 70.199 -4.737 1.408 1.00 0.18 H new ATOM 0 HA ILE A 17 68.203 -3.571 3.359 1.00 0.21 H new ATOM 0 HB ILE A 17 69.416 -1.437 3.087 1.00 0.24 H new ATOM 0 HG12 ILE A 17 71.577 -2.990 1.591 1.00 0.23 H new ATOM 0 HG13 ILE A 17 70.329 -2.078 0.764 1.00 0.23 H new ATOM 0 HG21 ILE A 17 71.494 -2.010 4.338 1.00 0.26 H new ATOM 0 HG22 ILE A 17 70.098 -2.925 4.954 1.00 0.26 H new ATOM 0 HG23 ILE A 17 71.284 -3.720 3.891 1.00 0.26 H new ATOM 0 HD11 ILE A 17 72.376 -0.700 1.051 1.00 0.30 H new ATOM 0 HD12 ILE A 17 71.024 -0.003 1.974 1.00 0.30 H new ATOM 0 HD13 ILE A 17 72.291 -0.929 2.814 1.00 0.30 H new ATOM 290 N ILE A 18 67.028 -2.388 1.437 1.00 0.23 N ATOM 291 CA ILE A 18 66.256 -1.934 0.237 1.00 0.20 C ATOM 292 C ILE A 18 66.246 -0.410 0.171 1.00 0.20 C ATOM 293 O ILE A 18 65.845 0.254 1.110 1.00 0.22 O ATOM 294 CB ILE A 18 64.826 -2.460 0.427 1.00 0.23 C ATOM 295 CG1 ILE A 18 64.829 -3.985 0.651 1.00 0.25 C ATOM 296 CG2 ILE A 18 63.998 -2.125 -0.820 1.00 0.22 C ATOM 297 CD1 ILE A 18 65.501 -4.702 -0.528 1.00 0.24 C ATOM 0 H ILE A 18 66.642 -2.099 2.336 1.00 0.23 H new ATOM 0 HA ILE A 18 66.699 -2.304 -0.688 1.00 0.20 H new ATOM 0 HB ILE A 18 64.389 -1.985 1.305 1.00 0.23 H new ATOM 0 HG12 ILE A 18 65.356 -4.221 1.576 1.00 0.25 H new ATOM 0 HG13 ILE A 18 63.806 -4.343 0.766 1.00 0.25 H new ATOM 0 HG21 ILE A 18 62.981 -2.496 -0.692 1.00 0.22 H new ATOM 0 HG22 ILE A 18 63.975 -1.045 -0.962 1.00 0.22 H new ATOM 0 HG23 ILE A 18 64.449 -2.596 -1.693 1.00 0.22 H new ATOM 0 HD11 ILE A 18 65.494 -5.778 -0.352 1.00 0.24 H new ATOM 0 HD12 ILE A 18 64.957 -4.481 -1.446 1.00 0.24 H new ATOM 0 HD13 ILE A 18 66.531 -4.357 -0.625 1.00 0.24 H new ATOM 309 N ILE A 19 66.611 0.144 -0.959 1.00 0.17 N ATOM 310 CA ILE A 19 66.540 1.628 -1.123 1.00 0.17 C ATOM 311 C ILE A 19 65.092 2.039 -1.428 1.00 0.19 C ATOM 312 O ILE A 19 64.424 1.370 -2.186 1.00 0.17 O ATOM 313 CB ILE A 19 67.466 1.962 -2.305 1.00 0.16 C ATOM 314 CG1 ILE A 19 68.889 1.459 -1.976 1.00 0.20 C ATOM 315 CG2 ILE A 19 67.472 3.485 -2.515 1.00 0.15 C ATOM 316 CD1 ILE A 19 69.893 1.878 -3.057 1.00 0.23 C ATOM 0 H ILE A 19 66.954 -0.366 -1.773 1.00 0.17 H new ATOM 0 HA ILE A 19 66.848 2.161 -0.223 1.00 0.17 H new ATOM 0 HB ILE A 19 67.117 1.478 -3.217 1.00 0.16 H new ATOM 0 HG12 ILE A 19 69.203 1.857 -1.011 1.00 0.20 H new ATOM 0 HG13 ILE A 19 68.881 0.373 -1.886 1.00 0.20 H new ATOM 0 HG21 ILE A 19 68.126 3.734 -3.351 1.00 0.15 H new ATOM 0 HG22 ILE A 19 66.460 3.826 -2.731 1.00 0.15 H new ATOM 0 HG23 ILE A 19 67.835 3.975 -1.612 1.00 0.15 H new ATOM 0 HD11 ILE A 19 70.885 1.509 -2.795 1.00 0.23 H new ATOM 0 HD12 ILE A 19 69.591 1.458 -4.017 1.00 0.23 H new ATOM 0 HD13 ILE A 19 69.918 2.965 -3.128 1.00 0.23 H new ATOM 328 N PRO A 20 64.672 3.179 -0.916 1.00 0.24 N ATOM 329 CA PRO A 20 63.321 3.699 -1.265 1.00 0.28 C ATOM 330 C PRO A 20 63.255 3.998 -2.755 1.00 0.26 C ATOM 331 O PRO A 20 64.223 4.433 -3.349 1.00 0.25 O ATOM 332 CB PRO A 20 63.213 4.981 -0.450 1.00 0.34 C ATOM 333 CG PRO A 20 64.636 5.380 -0.242 1.00 0.35 C ATOM 334 CD PRO A 20 65.366 4.095 0.010 1.00 0.29 C ATOM 0 HA PRO A 20 62.514 2.998 -1.051 1.00 0.28 H new ATOM 0 HB2 PRO A 20 62.654 5.750 -0.983 1.00 0.34 H new ATOM 0 HB3 PRO A 20 62.700 4.813 0.497 1.00 0.34 H new ATOM 0 HG2 PRO A 20 65.033 5.895 -1.117 1.00 0.35 H new ATOM 0 HG3 PRO A 20 64.735 6.062 0.602 1.00 0.35 H new ATOM 0 HD2 PRO A 20 66.430 4.176 -0.213 1.00 0.29 H new ATOM 0 HD3 PRO A 20 65.282 3.772 1.048 1.00 0.29 H new ATOM 342 N ALA A 21 62.126 3.751 -3.364 1.00 0.28 N ATOM 343 CA ALA A 21 61.991 3.988 -4.836 1.00 0.29 C ATOM 344 C ALA A 21 62.310 5.449 -5.177 1.00 0.31 C ATOM 345 O ALA A 21 62.726 5.759 -6.279 1.00 0.32 O ATOM 346 CB ALA A 21 60.531 3.670 -5.168 1.00 0.33 C ATOM 0 H ALA A 21 61.287 3.394 -2.906 1.00 0.28 H new ATOM 0 HA ALA A 21 62.682 3.370 -5.409 1.00 0.29 H new ATOM 0 HB1 ALA A 21 60.359 3.822 -6.233 1.00 0.33 H new ATOM 0 HB2 ALA A 21 60.317 2.633 -4.910 1.00 0.33 H new ATOM 0 HB3 ALA A 21 59.876 4.328 -4.597 1.00 0.33 H new ATOM 352 N GLY A 22 62.117 6.345 -4.237 1.00 0.34 N ATOM 353 CA GLY A 22 62.401 7.790 -4.505 1.00 0.38 C ATOM 354 C GLY A 22 63.894 7.988 -4.766 1.00 0.37 C ATOM 355 O GLY A 22 64.281 8.697 -5.680 1.00 0.39 O ATOM 0 H GLY A 22 61.776 6.138 -3.298 1.00 0.34 H new ATOM 0 HA2 GLY A 22 61.825 8.129 -5.366 1.00 0.38 H new ATOM 0 HA3 GLY A 22 62.089 8.395 -3.654 1.00 0.38 H new ATOM 359 N THR A 23 64.736 7.375 -3.968 1.00 0.34 N ATOM 360 CA THR A 23 66.211 7.540 -4.164 1.00 0.34 C ATOM 361 C THR A 23 66.656 6.830 -5.444 1.00 0.30 C ATOM 362 O THR A 23 67.457 7.350 -6.196 1.00 0.32 O ATOM 363 CB THR A 23 66.868 6.907 -2.935 1.00 0.34 C ATOM 364 OG1 THR A 23 66.367 7.534 -1.762 1.00 0.39 O ATOM 365 CG2 THR A 23 68.384 7.100 -3.010 1.00 0.37 C ATOM 0 H THR A 23 64.467 6.770 -3.192 1.00 0.34 H new ATOM 0 HA THR A 23 66.492 8.588 -4.267 1.00 0.34 H new ATOM 0 HB THR A 23 66.641 5.841 -2.906 1.00 0.34 H new ATOM 0 HG1 THR A 23 66.933 8.301 -1.534 1.00 0.39 H new ATOM 0 HG21 THR A 23 68.852 6.649 -2.135 1.00 0.37 H new ATOM 0 HG22 THR A 23 68.767 6.623 -3.912 1.00 0.37 H new ATOM 0 HG23 THR A 23 68.614 8.165 -3.036 1.00 0.37 H new ATOM 373 N ARG A 24 66.089 5.677 -5.737 1.00 0.26 N ATOM 374 CA ARG A 24 66.432 4.970 -7.030 1.00 0.25 C ATOM 375 C ARG A 24 66.165 5.910 -8.211 1.00 0.28 C ATOM 376 O ARG A 24 66.903 5.947 -9.174 1.00 0.29 O ATOM 377 CB ARG A 24 65.502 3.747 -7.165 1.00 0.25 C ATOM 378 CG ARG A 24 65.392 2.955 -5.859 1.00 0.23 C ATOM 379 CD ARG A 24 65.039 1.503 -6.175 1.00 0.24 C ATOM 380 NE ARG A 24 64.243 1.035 -4.998 1.00 0.27 N ATOM 381 CZ ARG A 24 63.375 0.043 -5.092 1.00 0.34 C ATOM 382 NH1 ARG A 24 63.175 -0.609 -6.216 1.00 0.40 N ATOM 383 NH2 ARG A 24 62.704 -0.303 -4.029 1.00 0.39 N ATOM 0 H ARG A 24 65.410 5.196 -5.147 1.00 0.26 H new ATOM 0 HA ARG A 24 67.480 4.670 -7.026 1.00 0.25 H new ATOM 0 HB2 ARG A 24 64.510 4.079 -7.471 1.00 0.25 H new ATOM 0 HB3 ARG A 24 65.876 3.094 -7.953 1.00 0.25 H new ATOM 0 HG2 ARG A 24 66.334 3.001 -5.312 1.00 0.23 H new ATOM 0 HG3 ARG A 24 64.629 3.395 -5.217 1.00 0.23 H new ATOM 0 HD2 ARG A 24 64.462 1.428 -7.097 1.00 0.24 H new ATOM 0 HD3 ARG A 24 65.936 0.899 -6.311 1.00 0.24 H new ATOM 0 HE ARG A 24 64.374 1.495 -4.097 1.00 0.27 H new ATOM 0 HH11 ARG A 24 63.699 -0.354 -7.053 1.00 0.40 H new ATOM 0 HH12 ARG A 24 62.496 -1.370 -6.251 1.00 0.40 H new ATOM 0 HH21 ARG A 24 62.854 0.189 -3.148 1.00 0.39 H new ATOM 0 HH22 ARG A 24 62.029 -1.066 -4.078 1.00 0.39 H new ATOM 397 N LYS A 25 65.074 6.630 -8.144 1.00 0.32 N ATOM 398 CA LYS A 25 64.686 7.541 -9.264 1.00 0.37 C ATOM 399 C LYS A 25 65.708 8.669 -9.405 1.00 0.38 C ATOM 400 O LYS A 25 66.206 8.935 -10.481 1.00 0.40 O ATOM 401 CB LYS A 25 63.316 8.102 -8.860 1.00 0.42 C ATOM 402 CG LYS A 25 62.782 9.017 -9.961 1.00 1.08 C ATOM 403 CD LYS A 25 61.427 9.588 -9.538 1.00 1.68 C ATOM 404 CE LYS A 25 60.820 10.376 -10.700 1.00 2.42 C ATOM 405 NZ LYS A 25 60.026 9.377 -11.469 1.00 2.97 N ATOM 0 H LYS A 25 64.429 6.626 -7.354 1.00 0.32 H new ATOM 0 HA LYS A 25 64.649 7.026 -10.224 1.00 0.37 H new ATOM 0 HB2 LYS A 25 62.617 7.285 -8.684 1.00 0.42 H new ATOM 0 HB3 LYS A 25 63.402 8.656 -7.925 1.00 0.42 H new ATOM 0 HG2 LYS A 25 63.487 9.827 -10.149 1.00 1.08 H new ATOM 0 HG3 LYS A 25 62.679 8.461 -10.893 1.00 1.08 H new ATOM 0 HD2 LYS A 25 60.757 8.781 -9.243 1.00 1.68 H new ATOM 0 HD3 LYS A 25 61.548 10.236 -8.670 1.00 1.68 H new ATOM 0 HE2 LYS A 25 60.189 11.188 -10.339 1.00 2.42 H new ATOM 0 HE3 LYS A 25 61.596 10.826 -11.320 1.00 2.42 H new ATOM 0 HZ1 LYS A 25 59.578 9.843 -12.284 1.00 2.97 H new ATOM 0 HZ2 LYS A 25 60.654 8.619 -11.805 1.00 2.97 H new ATOM 0 HZ3 LYS A 25 59.291 8.971 -10.855 1.00 2.97 H new ATOM 419 N PHE A 26 66.026 9.324 -8.318 1.00 0.38 N ATOM 420 CA PHE A 26 67.014 10.455 -8.367 1.00 0.42 C ATOM 421 C PHE A 26 68.352 9.982 -8.946 1.00 0.42 C ATOM 422 O PHE A 26 69.031 10.717 -9.641 1.00 0.46 O ATOM 423 CB PHE A 26 67.184 10.899 -6.908 1.00 0.43 C ATOM 424 CG PHE A 26 68.109 12.090 -6.837 1.00 0.51 C ATOM 425 CD1 PHE A 26 67.645 13.386 -7.239 1.00 0.55 C ATOM 426 CD2 PHE A 26 69.455 11.923 -6.369 1.00 0.56 C ATOM 427 CE1 PHE A 26 68.527 14.517 -7.172 1.00 0.63 C ATOM 428 CE2 PHE A 26 70.337 13.053 -6.302 1.00 0.64 C ATOM 429 CZ PHE A 26 69.873 14.350 -6.704 1.00 0.67 C ATOM 0 H PHE A 26 65.645 9.127 -7.393 1.00 0.38 H new ATOM 0 HA PHE A 26 66.670 11.269 -9.005 1.00 0.42 H new ATOM 0 HB2 PHE A 26 66.214 11.155 -6.481 1.00 0.43 H new ATOM 0 HB3 PHE A 26 67.587 10.079 -6.314 1.00 0.43 H new ATOM 0 HD1 PHE A 26 66.632 13.511 -7.592 1.00 0.55 H new ATOM 0 HD2 PHE A 26 69.804 10.947 -6.067 1.00 0.56 H new ATOM 0 HE1 PHE A 26 68.177 15.493 -7.474 1.00 0.63 H new ATOM 0 HE2 PHE A 26 71.350 12.927 -5.949 1.00 0.64 H new ATOM 0 HZ PHE A 26 70.537 15.200 -6.654 1.00 0.67 H new ATOM 439 N TYR A 27 68.758 8.789 -8.606 1.00 0.39 N ATOM 440 CA TYR A 27 70.089 8.276 -9.064 1.00 0.42 C ATOM 441 C TYR A 27 69.979 7.580 -10.435 1.00 0.35 C ATOM 442 O TYR A 27 70.976 7.372 -11.104 1.00 0.37 O ATOM 443 CB TYR A 27 70.492 7.276 -7.975 1.00 0.46 C ATOM 444 CG TYR A 27 71.887 6.740 -8.212 1.00 0.67 C ATOM 445 CD1 TYR A 27 72.126 5.765 -9.239 1.00 0.85 C ATOM 446 CD2 TYR A 27 72.970 7.183 -7.382 1.00 0.95 C ATOM 447 CE1 TYR A 27 73.445 5.239 -9.438 1.00 1.10 C ATOM 448 CE2 TYR A 27 74.287 6.648 -7.577 1.00 1.16 C ATOM 449 CZ TYR A 27 74.524 5.677 -8.604 1.00 1.18 C ATOM 450 OH TYR A 27 75.787 5.160 -8.780 1.00 1.44 O ATOM 0 H TYR A 27 68.224 8.141 -8.027 1.00 0.39 H new ATOM 0 HA TYR A 27 70.819 9.074 -9.197 1.00 0.42 H new ATOM 0 HB2 TYR A 27 70.446 7.759 -6.999 1.00 0.46 H new ATOM 0 HB3 TYR A 27 69.781 6.450 -7.955 1.00 0.46 H new ATOM 0 HD1 TYR A 27 71.311 5.427 -9.862 1.00 0.85 H new ATOM 0 HD2 TYR A 27 72.794 7.919 -6.611 1.00 0.95 H new ATOM 0 HE1 TYR A 27 73.625 4.513 -10.217 1.00 1.10 H new ATOM 0 HE2 TYR A 27 75.101 6.978 -6.949 1.00 1.16 H new ATOM 0 HH TYR A 27 76.347 5.394 -8.010 1.00 1.44 H new ATOM 460 N GLY A 28 68.781 7.263 -10.884 1.00 0.31 N ATOM 461 CA GLY A 28 68.626 6.622 -12.226 1.00 0.29 C ATOM 462 C GLY A 28 69.038 5.146 -12.139 1.00 0.26 C ATOM 463 O GLY A 28 69.759 4.649 -12.985 1.00 0.27 O ATOM 0 H GLY A 28 67.910 7.422 -10.377 1.00 0.31 H new ATOM 0 HA2 GLY A 28 67.592 6.703 -12.562 1.00 0.29 H new ATOM 0 HA3 GLY A 28 69.242 7.140 -12.961 1.00 0.29 H new ATOM 467 N ILE A 29 68.634 4.461 -11.093 1.00 0.24 N ATOM 468 CA ILE A 29 69.054 3.032 -10.912 1.00 0.23 C ATOM 469 C ILE A 29 68.081 2.094 -11.630 1.00 0.20 C ATOM 470 O ILE A 29 66.896 2.083 -11.351 1.00 0.22 O ATOM 471 CB ILE A 29 69.022 2.774 -9.394 1.00 0.29 C ATOM 472 CG1 ILE A 29 69.963 3.751 -8.689 1.00 0.35 C ATOM 473 CG2 ILE A 29 69.480 1.340 -9.099 1.00 0.34 C ATOM 474 CD1 ILE A 29 69.868 3.583 -7.167 1.00 0.42 C ATOM 0 H ILE A 29 68.032 4.830 -10.357 1.00 0.24 H new ATOM 0 HA ILE A 29 70.044 2.850 -11.330 1.00 0.23 H new ATOM 0 HB ILE A 29 68.003 2.914 -9.032 1.00 0.29 H new ATOM 0 HG12 ILE A 29 70.988 3.579 -9.017 1.00 0.35 H new ATOM 0 HG13 ILE A 29 69.708 4.774 -8.965 1.00 0.35 H new ATOM 0 HG21 ILE A 29 69.455 1.164 -8.024 1.00 0.34 H new ATOM 0 HG22 ILE A 29 68.814 0.636 -9.597 1.00 0.34 H new ATOM 0 HG23 ILE A 29 70.497 1.200 -9.466 1.00 0.34 H new ATOM 0 HD11 ILE A 29 70.544 4.286 -6.680 1.00 0.42 H new ATOM 0 HD12 ILE A 29 68.846 3.779 -6.842 1.00 0.42 H new ATOM 0 HD13 ILE A 29 70.146 2.565 -6.895 1.00 0.42 H new ATOM 486 N GLU A 30 68.608 1.205 -12.433 1.00 0.17 N ATOM 487 CA GLU A 30 67.768 0.136 -13.046 1.00 0.18 C ATOM 488 C GLU A 30 68.419 -1.222 -12.779 1.00 0.17 C ATOM 489 O GLU A 30 69.610 -1.304 -12.545 1.00 0.18 O ATOM 490 CB GLU A 30 67.751 0.445 -14.544 1.00 0.22 C ATOM 491 CG GLU A 30 66.784 -0.513 -15.253 1.00 1.06 C ATOM 492 CD GLU A 30 66.817 -0.293 -16.777 1.00 1.14 C ATOM 493 OE1 GLU A 30 67.613 0.511 -17.242 1.00 1.37 O ATOM 494 OE2 GLU A 30 66.039 -0.942 -17.458 1.00 1.82 O ATOM 0 H GLU A 30 69.594 1.175 -12.692 1.00 0.17 H new ATOM 0 HA GLU A 30 66.757 0.104 -12.639 1.00 0.18 H new ATOM 0 HB2 GLU A 30 67.444 1.478 -14.710 1.00 0.22 H new ATOM 0 HB3 GLU A 30 68.753 0.340 -14.959 1.00 0.22 H new ATOM 0 HG2 GLU A 30 67.053 -1.544 -15.024 1.00 1.06 H new ATOM 0 HG3 GLU A 30 65.772 -0.357 -14.880 1.00 1.06 H new ATOM 501 N GLN A 31 67.647 -2.284 -12.767 1.00 0.20 N ATOM 502 CA GLN A 31 68.224 -3.637 -12.455 1.00 0.20 C ATOM 503 C GLN A 31 69.390 -3.959 -13.397 1.00 0.19 C ATOM 504 O GLN A 31 69.337 -3.695 -14.584 1.00 0.20 O ATOM 505 CB GLN A 31 67.085 -4.629 -12.675 1.00 0.25 C ATOM 506 CG GLN A 31 67.516 -6.017 -12.196 1.00 1.08 C ATOM 507 CD GLN A 31 66.434 -7.038 -12.550 1.00 1.10 C ATOM 508 OE1 GLN A 31 66.123 -7.234 -13.708 1.00 0.70 O ATOM 509 NE2 GLN A 31 65.842 -7.701 -11.594 1.00 1.99 N ATOM 0 H GLN A 31 66.645 -2.275 -12.959 1.00 0.20 H new ATOM 0 HA GLN A 31 68.613 -3.679 -11.438 1.00 0.20 H new ATOM 0 HB2 GLN A 31 66.197 -4.305 -12.132 1.00 0.25 H new ATOM 0 HB3 GLN A 31 66.818 -4.664 -13.731 1.00 0.25 H new ATOM 0 HG2 GLN A 31 68.461 -6.297 -12.662 1.00 1.08 H new ATOM 0 HG3 GLN A 31 67.682 -6.006 -11.119 1.00 1.08 H new ATOM 0 HE21 GLN A 31 66.103 -7.536 -10.622 1.00 1.99 H new ATOM 0 HE22 GLN A 31 65.118 -8.384 -11.819 1.00 1.99 H new ATOM 518 N GLY A 32 70.426 -4.549 -12.867 1.00 0.18 N ATOM 519 CA GLY A 32 71.602 -4.927 -13.704 1.00 0.19 C ATOM 520 C GLY A 32 72.674 -3.825 -13.675 1.00 0.17 C ATOM 521 O GLY A 32 73.817 -4.073 -14.015 1.00 0.18 O ATOM 0 H GLY A 32 70.509 -4.788 -11.879 1.00 0.18 H new ATOM 0 HA2 GLY A 32 72.027 -5.863 -13.340 1.00 0.19 H new ATOM 0 HA3 GLY A 32 71.281 -5.101 -14.731 1.00 0.19 H new ATOM 525 N ASP A 33 72.337 -2.624 -13.239 1.00 0.15 N ATOM 526 CA ASP A 33 73.371 -1.540 -13.156 1.00 0.14 C ATOM 527 C ASP A 33 74.271 -1.766 -11.943 1.00 0.13 C ATOM 528 O ASP A 33 73.847 -2.338 -10.958 1.00 0.14 O ATOM 529 CB ASP A 33 72.586 -0.237 -12.997 1.00 0.13 C ATOM 530 CG ASP A 33 71.781 0.058 -14.268 1.00 0.17 C ATOM 531 OD1 ASP A 33 72.167 -0.414 -15.327 1.00 1.12 O ATOM 532 OD2 ASP A 33 70.792 0.761 -14.156 1.00 1.07 O ATOM 0 H ASP A 33 71.400 -2.354 -12.941 1.00 0.15 H new ATOM 0 HA ASP A 33 74.012 -1.521 -14.037 1.00 0.14 H new ATOM 0 HB2 ASP A 33 71.914 -0.311 -12.142 1.00 0.13 H new ATOM 0 HB3 ASP A 33 73.271 0.586 -12.793 1.00 0.13 H new ATOM 537 N PHE A 34 75.469 -1.228 -11.965 1.00 0.12 N ATOM 538 CA PHE A 34 76.349 -1.307 -10.763 1.00 0.11 C ATOM 539 C PHE A 34 76.490 0.077 -10.141 1.00 0.10 C ATOM 540 O PHE A 34 76.729 1.046 -10.834 1.00 0.11 O ATOM 541 CB PHE A 34 77.699 -1.800 -11.281 1.00 0.12 C ATOM 542 CG PHE A 34 77.590 -3.253 -11.674 1.00 0.15 C ATOM 543 CD1 PHE A 34 77.174 -3.612 -13.000 1.00 0.17 C ATOM 544 CD2 PHE A 34 77.907 -4.278 -10.720 1.00 0.16 C ATOM 545 CE1 PHE A 34 77.073 -4.994 -13.371 1.00 0.20 C ATOM 546 CE2 PHE A 34 77.806 -5.660 -11.091 1.00 0.20 C ATOM 547 CZ PHE A 34 77.389 -6.018 -12.417 1.00 0.21 C ATOM 0 H PHE A 34 75.871 -0.739 -12.765 1.00 0.12 H new ATOM 0 HA PHE A 34 75.947 -1.971 -9.997 1.00 0.11 H new ATOM 0 HB2 PHE A 34 78.011 -1.203 -12.138 1.00 0.12 H new ATOM 0 HB3 PHE A 34 78.462 -1.677 -10.512 1.00 0.12 H new ATOM 0 HD1 PHE A 34 76.937 -2.841 -13.719 1.00 0.17 H new ATOM 0 HD2 PHE A 34 78.222 -4.008 -9.723 1.00 0.16 H new ATOM 0 HE1 PHE A 34 76.759 -5.264 -14.369 1.00 0.20 H new ATOM 0 HE2 PHE A 34 78.044 -6.431 -10.373 1.00 0.20 H new ATOM 0 HZ PHE A 34 77.313 -7.058 -12.697 1.00 0.21 H new ATOM 557 N VAL A 35 76.448 0.156 -8.838 1.00 0.09 N ATOM 558 CA VAL A 35 76.697 1.461 -8.158 1.00 0.09 C ATOM 559 C VAL A 35 77.731 1.263 -7.049 1.00 0.10 C ATOM 560 O VAL A 35 77.883 0.175 -6.525 1.00 0.10 O ATOM 561 CB VAL A 35 75.337 1.904 -7.600 1.00 0.11 C ATOM 562 CG1 VAL A 35 74.348 2.081 -8.757 1.00 0.12 C ATOM 563 CG2 VAL A 35 74.792 0.851 -6.630 1.00 0.15 C ATOM 0 H VAL A 35 76.252 -0.627 -8.214 1.00 0.09 H new ATOM 0 HA VAL A 35 77.097 2.220 -8.830 1.00 0.09 H new ATOM 0 HB VAL A 35 75.463 2.847 -7.068 1.00 0.11 H new ATOM 0 HG11 VAL A 35 73.381 2.396 -8.364 1.00 0.12 H new ATOM 0 HG12 VAL A 35 74.724 2.838 -9.445 1.00 0.12 H new ATOM 0 HG13 VAL A 35 74.234 1.135 -9.286 1.00 0.12 H new ATOM 0 HG21 VAL A 35 73.827 1.178 -6.242 1.00 0.15 H new ATOM 0 HG22 VAL A 35 74.670 -0.097 -7.153 1.00 0.15 H new ATOM 0 HG23 VAL A 35 75.491 0.722 -5.803 1.00 0.15 H new ATOM 573 N GLU A 36 78.440 2.303 -6.691 1.00 0.12 N ATOM 574 CA GLU A 36 79.470 2.184 -5.619 1.00 0.13 C ATOM 575 C GLU A 36 79.048 3.060 -4.458 1.00 0.13 C ATOM 576 O GLU A 36 78.638 4.185 -4.664 1.00 0.13 O ATOM 577 CB GLU A 36 80.769 2.695 -6.244 1.00 0.14 C ATOM 578 CG GLU A 36 81.920 2.510 -5.252 1.00 0.15 C ATOM 579 CD GLU A 36 83.206 3.115 -5.828 1.00 0.17 C ATOM 580 OE1 GLU A 36 83.107 4.065 -6.588 1.00 1.09 O ATOM 581 OE2 GLU A 36 84.270 2.622 -5.491 1.00 1.03 O ATOM 0 H GLU A 36 78.348 3.234 -7.098 1.00 0.12 H new ATOM 0 HA GLU A 36 79.593 1.166 -5.249 1.00 0.13 H new ATOM 0 HB2 GLU A 36 80.979 2.153 -7.166 1.00 0.14 H new ATOM 0 HB3 GLU A 36 80.668 3.748 -6.508 1.00 0.14 H new ATOM 0 HG2 GLU A 36 81.675 2.989 -4.304 1.00 0.15 H new ATOM 0 HG3 GLU A 36 82.067 1.450 -5.045 1.00 0.15 H new ATOM 588 N ILE A 37 78.919 2.480 -3.294 1.00 0.12 N ATOM 589 CA ILE A 37 78.249 3.205 -2.180 1.00 0.11 C ATOM 590 C ILE A 37 78.978 2.965 -0.853 1.00 0.11 C ATOM 591 O ILE A 37 79.667 1.976 -0.686 1.00 0.12 O ATOM 592 CB ILE A 37 76.829 2.625 -2.160 1.00 0.12 C ATOM 593 CG1 ILE A 37 75.996 3.323 -1.084 1.00 0.13 C ATOM 594 CG2 ILE A 37 76.873 1.118 -1.876 1.00 0.13 C ATOM 595 CD1 ILE A 37 74.502 3.165 -1.398 1.00 0.14 C ATOM 0 H ILE A 37 79.247 1.541 -3.069 1.00 0.12 H new ATOM 0 HA ILE A 37 78.249 4.286 -2.318 1.00 0.11 H new ATOM 0 HB ILE A 37 76.372 2.790 -3.136 1.00 0.12 H new ATOM 0 HG12 ILE A 37 76.218 2.897 -0.106 1.00 0.13 H new ATOM 0 HG13 ILE A 37 76.257 4.380 -1.038 1.00 0.13 H new ATOM 0 HG21 ILE A 37 75.858 0.720 -1.865 1.00 0.13 H new ATOM 0 HG22 ILE A 37 77.450 0.618 -2.654 1.00 0.13 H new ATOM 0 HG23 ILE A 37 77.342 0.944 -0.907 1.00 0.13 H new ATOM 0 HD11 ILE A 37 73.914 3.664 -0.628 1.00 0.14 H new ATOM 0 HD12 ILE A 37 74.285 3.612 -2.368 1.00 0.14 H new ATOM 0 HD13 ILE A 37 74.245 2.106 -1.421 1.00 0.14 H new ATOM 607 N LYS A 38 78.792 3.845 0.096 1.00 0.12 N ATOM 608 CA LYS A 38 79.428 3.666 1.435 1.00 0.13 C ATOM 609 C LYS A 38 78.403 3.897 2.547 1.00 0.13 C ATOM 610 O LYS A 38 77.541 4.745 2.434 1.00 0.14 O ATOM 611 CB LYS A 38 80.526 4.725 1.500 1.00 0.13 C ATOM 612 CG LYS A 38 81.433 4.425 2.691 1.00 0.18 C ATOM 613 CD LYS A 38 82.527 5.490 2.781 1.00 0.25 C ATOM 614 CE LYS A 38 83.446 5.182 3.966 1.00 1.03 C ATOM 615 NZ LYS A 38 84.558 6.168 3.857 1.00 1.11 N ATOM 0 H LYS A 38 78.223 4.686 0.000 1.00 0.12 H new ATOM 0 HA LYS A 38 79.822 2.658 1.568 1.00 0.13 H new ATOM 0 HB2 LYS A 38 81.105 4.725 0.576 1.00 0.13 H new ATOM 0 HB3 LYS A 38 80.087 5.717 1.601 1.00 0.13 H new ATOM 0 HG2 LYS A 38 80.849 4.410 3.611 1.00 0.18 H new ATOM 0 HG3 LYS A 38 81.881 3.437 2.581 1.00 0.18 H new ATOM 0 HD2 LYS A 38 83.104 5.512 1.856 1.00 0.25 H new ATOM 0 HD3 LYS A 38 82.079 6.477 2.901 1.00 0.25 H new ATOM 0 HE2 LYS A 38 82.917 5.286 4.913 1.00 1.03 H new ATOM 0 HE3 LYS A 38 83.819 4.159 3.921 1.00 1.03 H new ATOM 0 HZ1 LYS A 38 84.821 6.501 4.806 1.00 1.11 H new ATOM 0 HZ2 LYS A 38 85.380 5.716 3.409 1.00 1.11 H new ATOM 0 HZ3 LYS A 38 84.250 6.976 3.279 1.00 1.11 H new ATOM 629 N ILE A 39 78.521 3.177 3.635 1.00 0.14 N ATOM 630 CA ILE A 39 77.583 3.382 4.787 1.00 0.14 C ATOM 631 C ILE A 39 78.338 3.908 6.007 1.00 0.13 C ATOM 632 O ILE A 39 79.494 3.589 6.215 1.00 0.13 O ATOM 633 CB ILE A 39 76.982 2.006 5.100 1.00 0.16 C ATOM 634 CG1 ILE A 39 78.102 0.991 5.371 1.00 0.16 C ATOM 635 CG2 ILE A 39 76.126 1.533 3.925 1.00 0.17 C ATOM 636 CD1 ILE A 39 77.509 -0.278 5.984 1.00 0.20 C ATOM 0 H ILE A 39 79.227 2.455 3.777 1.00 0.14 H new ATOM 0 HA ILE A 39 76.813 4.112 4.539 1.00 0.14 H new ATOM 0 HB ILE A 39 76.356 2.088 5.988 1.00 0.16 H new ATOM 0 HG12 ILE A 39 78.620 0.750 4.443 1.00 0.16 H new ATOM 0 HG13 ILE A 39 78.841 1.422 6.046 1.00 0.16 H new ATOM 0 HG21 ILE A 39 75.702 0.555 4.154 1.00 0.17 H new ATOM 0 HG22 ILE A 39 75.320 2.246 3.752 1.00 0.17 H new ATOM 0 HG23 ILE A 39 76.744 1.460 3.030 1.00 0.17 H new ATOM 0 HD11 ILE A 39 78.306 -0.996 6.175 1.00 0.20 H new ATOM 0 HD12 ILE A 39 77.011 -0.031 6.921 1.00 0.20 H new ATOM 0 HD13 ILE A 39 76.787 -0.713 5.293 1.00 0.20 H new ATOM 648 N VAL A 40 77.666 4.661 6.841 1.00 0.13 N ATOM 649 CA VAL A 40 78.302 5.161 8.095 1.00 0.12 C ATOM 650 C VAL A 40 77.300 5.080 9.253 1.00 0.16 C ATOM 651 O VAL A 40 76.228 5.656 9.202 1.00 0.20 O ATOM 652 CB VAL A 40 78.674 6.621 7.805 1.00 0.14 C ATOM 653 CG1 VAL A 40 79.352 7.238 9.034 1.00 0.15 C ATOM 654 CG2 VAL A 40 79.644 6.680 6.618 1.00 0.16 C ATOM 0 H VAL A 40 76.698 4.952 6.705 1.00 0.13 H new ATOM 0 HA VAL A 40 79.175 4.573 8.381 1.00 0.12 H new ATOM 0 HB VAL A 40 77.767 7.178 7.569 1.00 0.14 H new ATOM 0 HG11 VAL A 40 79.614 8.275 8.823 1.00 0.15 H new ATOM 0 HG12 VAL A 40 78.669 7.202 9.883 1.00 0.15 H new ATOM 0 HG13 VAL A 40 80.256 6.676 9.271 1.00 0.15 H new ATOM 0 HG21 VAL A 40 79.907 7.718 6.414 1.00 0.16 H new ATOM 0 HG22 VAL A 40 80.547 6.118 6.857 1.00 0.16 H new ATOM 0 HG23 VAL A 40 79.169 6.246 5.738 1.00 0.16 H new ATOM 664 N LYS A 41 77.684 4.433 10.321 1.00 0.17 N ATOM 665 CA LYS A 41 76.818 4.373 11.534 1.00 0.22 C ATOM 666 C LYS A 41 77.669 4.605 12.780 1.00 0.21 C ATOM 667 O LYS A 41 78.840 4.285 12.802 1.00 0.22 O ATOM 668 CB LYS A 41 76.219 2.964 11.536 1.00 0.28 C ATOM 669 CG LYS A 41 75.311 2.779 12.761 1.00 0.54 C ATOM 670 CD LYS A 41 74.132 3.751 12.687 1.00 1.11 C ATOM 671 CE LYS A 41 73.066 3.341 13.705 1.00 1.50 C ATOM 672 NZ LYS A 41 73.731 3.475 15.031 1.00 1.98 N ATOM 0 H LYS A 41 78.572 3.938 10.405 1.00 0.17 H new ATOM 0 HA LYS A 41 76.038 5.134 11.530 1.00 0.22 H new ATOM 0 HB2 LYS A 41 75.648 2.802 10.622 1.00 0.28 H new ATOM 0 HB3 LYS A 41 77.017 2.221 11.549 1.00 0.28 H new ATOM 0 HG2 LYS A 41 74.946 1.753 12.802 1.00 0.54 H new ATOM 0 HG3 LYS A 41 75.879 2.952 13.675 1.00 0.54 H new ATOM 0 HD2 LYS A 41 74.471 4.767 12.890 1.00 1.11 H new ATOM 0 HD3 LYS A 41 73.709 3.751 11.682 1.00 1.11 H new ATOM 0 HE2 LYS A 41 72.187 3.982 13.637 1.00 1.50 H new ATOM 0 HE3 LYS A 41 72.728 2.319 13.534 1.00 1.50 H new ATOM 0 HZ1 LYS A 41 73.009 3.564 15.774 1.00 1.98 H new ATOM 0 HZ2 LYS A 41 74.314 2.633 15.214 1.00 1.98 H new ATOM 0 HZ3 LYS A 41 74.335 4.321 15.032 1.00 1.98 H new ATOM 686 N TYR A 42 77.095 5.192 13.796 1.00 0.20 N ATOM 687 CA TYR A 42 77.879 5.489 15.034 1.00 0.20 C ATOM 688 C TYR A 42 77.586 4.441 16.111 1.00 0.27 C ATOM 689 O TYR A 42 76.443 4.186 16.443 1.00 0.33 O ATOM 690 CB TYR A 42 77.408 6.872 15.482 1.00 0.22 C ATOM 691 CG TYR A 42 78.521 7.556 16.238 1.00 0.21 C ATOM 692 CD1 TYR A 42 79.758 7.851 15.573 1.00 0.23 C ATOM 693 CD2 TYR A 42 78.345 7.911 17.617 1.00 0.23 C ATOM 694 CE1 TYR A 42 80.819 8.501 16.286 1.00 0.28 C ATOM 695 CE2 TYR A 42 79.407 8.562 18.331 1.00 0.25 C ATOM 696 CZ TYR A 42 80.645 8.856 17.665 1.00 0.28 C ATOM 697 OH TYR A 42 81.666 9.481 18.351 1.00 0.33 O ATOM 0 H TYR A 42 76.117 5.479 13.824 1.00 0.20 H new ATOM 0 HA TYR A 42 78.954 5.466 14.857 1.00 0.20 H new ATOM 0 HB2 TYR A 42 77.120 7.469 14.617 1.00 0.22 H new ATOM 0 HB3 TYR A 42 76.525 6.781 16.115 1.00 0.22 H new ATOM 0 HD1 TYR A 42 79.890 7.583 14.535 1.00 0.23 H new ATOM 0 HD2 TYR A 42 77.414 7.689 18.118 1.00 0.23 H new ATOM 0 HE1 TYR A 42 81.749 8.723 15.785 1.00 0.28 H new ATOM 0 HE2 TYR A 42 79.275 8.831 19.369 1.00 0.25 H new ATOM 0 HH TYR A 42 82.272 8.806 18.722 1.00 0.33 H new ATOM 707 N GLU A 43 78.616 3.859 16.683 1.00 0.29 N ATOM 708 CA GLU A 43 78.408 2.853 17.768 1.00 0.37 C ATOM 709 C GLU A 43 79.376 3.120 18.922 1.00 0.35 C ATOM 710 O GLU A 43 80.544 3.396 18.715 1.00 0.30 O ATOM 711 CB GLU A 43 78.704 1.499 17.122 1.00 0.44 C ATOM 712 CG GLU A 43 77.718 1.251 15.974 1.00 0.63 C ATOM 713 CD GLU A 43 77.930 -0.149 15.376 1.00 0.80 C ATOM 714 OE1 GLU A 43 78.983 -0.731 15.602 1.00 1.48 O ATOM 715 OE2 GLU A 43 77.035 -0.616 14.692 1.00 1.34 O ATOM 0 H GLU A 43 79.591 4.040 16.443 1.00 0.29 H new ATOM 0 HA GLU A 43 77.400 2.892 18.180 1.00 0.37 H new ATOM 0 HB2 GLU A 43 79.727 1.480 16.747 1.00 0.44 H new ATOM 0 HB3 GLU A 43 78.621 0.705 17.864 1.00 0.44 H new ATOM 0 HG2 GLU A 43 76.695 1.346 16.338 1.00 0.63 H new ATOM 0 HG3 GLU A 43 77.853 2.007 15.201 1.00 0.63 H new ATOM 722 N GLY A 44 78.887 3.075 20.137 1.00 0.41 N ATOM 723 CA GLY A 44 79.755 3.361 21.321 1.00 0.41 C ATOM 724 C GLY A 44 80.324 4.780 21.215 1.00 0.37 C ATOM 725 O GLY A 44 79.600 5.731 20.989 1.00 0.37 O ATOM 0 H GLY A 44 77.917 2.851 20.360 1.00 0.41 H new ATOM 0 HA2 GLY A 44 79.178 3.258 22.240 1.00 0.41 H new ATOM 0 HA3 GLY A 44 80.567 2.636 21.372 1.00 0.41 H new ATOM 729 N GLU A 45 81.622 4.916 21.343 1.00 0.37 N ATOM 730 CA GLU A 45 82.259 6.264 21.213 1.00 0.37 C ATOM 731 C GLU A 45 82.994 6.423 19.866 1.00 0.34 C ATOM 732 O GLU A 45 83.725 7.380 19.677 1.00 0.36 O ATOM 733 CB GLU A 45 83.236 6.371 22.400 1.00 0.44 C ATOM 734 CG GLU A 45 84.388 5.360 22.261 1.00 0.45 C ATOM 735 CD GLU A 45 85.345 5.491 23.453 1.00 0.54 C ATOM 736 OE1 GLU A 45 85.420 6.570 24.021 1.00 1.17 O ATOM 737 OE2 GLU A 45 85.995 4.509 23.771 1.00 1.27 O ATOM 0 H GLU A 45 82.269 4.150 21.532 1.00 0.37 H new ATOM 0 HA GLU A 45 81.512 7.058 21.230 1.00 0.37 H new ATOM 0 HB2 GLU A 45 83.640 7.382 22.453 1.00 0.44 H new ATOM 0 HB3 GLU A 45 82.701 6.192 23.333 1.00 0.44 H new ATOM 0 HG2 GLU A 45 83.990 4.346 22.213 1.00 0.45 H new ATOM 0 HG3 GLU A 45 84.927 5.535 21.330 1.00 0.45 H new ATOM 744 N GLU A 46 82.858 5.478 18.955 1.00 0.31 N ATOM 745 CA GLU A 46 83.610 5.569 17.663 1.00 0.30 C ATOM 746 C GLU A 46 82.672 5.330 16.458 1.00 0.25 C ATOM 747 O GLU A 46 81.843 4.440 16.501 1.00 0.25 O ATOM 748 CB GLU A 46 84.682 4.473 17.742 1.00 0.38 C ATOM 749 CG GLU A 46 84.024 3.101 17.927 1.00 0.41 C ATOM 750 CD GLU A 46 85.104 2.021 17.990 1.00 0.63 C ATOM 751 OE1 GLU A 46 85.866 1.917 17.042 1.00 1.37 O ATOM 752 OE2 GLU A 46 85.152 1.315 18.984 1.00 1.19 O ATOM 0 H GLU A 46 82.262 4.656 19.054 1.00 0.31 H new ATOM 0 HA GLU A 46 84.047 6.557 17.520 1.00 0.30 H new ATOM 0 HB2 GLU A 46 85.283 4.476 16.833 1.00 0.38 H new ATOM 0 HB3 GLU A 46 85.358 4.675 18.573 1.00 0.38 H new ATOM 0 HG2 GLU A 46 83.431 3.091 18.841 1.00 0.41 H new ATOM 0 HG3 GLU A 46 83.341 2.899 17.102 1.00 0.41 H new ATOM 759 N PRO A 47 82.878 6.073 15.382 1.00 0.25 N ATOM 760 CA PRO A 47 82.088 5.831 14.150 1.00 0.21 C ATOM 761 C PRO A 47 82.586 4.571 13.429 1.00 0.27 C ATOM 762 O PRO A 47 83.774 4.399 13.223 1.00 0.34 O ATOM 763 CB PRO A 47 82.338 7.074 13.299 1.00 0.24 C ATOM 764 CG PRO A 47 83.638 7.635 13.780 1.00 0.33 C ATOM 765 CD PRO A 47 83.834 7.183 15.206 1.00 0.31 C ATOM 0 HA PRO A 47 81.030 5.669 14.354 1.00 0.21 H new ATOM 0 HB2 PRO A 47 82.388 6.821 12.240 1.00 0.24 H new ATOM 0 HB3 PRO A 47 81.531 7.798 13.416 1.00 0.24 H new ATOM 0 HG2 PRO A 47 84.459 7.288 13.153 1.00 0.33 H new ATOM 0 HG3 PRO A 47 83.630 8.723 13.722 1.00 0.33 H new ATOM 0 HD2 PRO A 47 84.859 6.854 15.380 1.00 0.31 H new ATOM 0 HD3 PRO A 47 83.635 7.992 15.909 1.00 0.31 H new ATOM 773 N LYS A 48 81.679 3.781 12.910 1.00 0.26 N ATOM 774 CA LYS A 48 82.075 2.632 12.038 1.00 0.35 C ATOM 775 C LYS A 48 81.563 2.870 10.616 1.00 0.28 C ATOM 776 O LYS A 48 80.448 3.315 10.424 1.00 0.24 O ATOM 777 CB LYS A 48 81.396 1.406 12.649 1.00 0.45 C ATOM 778 CG LYS A 48 81.895 1.196 14.078 1.00 0.60 C ATOM 779 CD LYS A 48 83.364 0.775 14.040 1.00 0.47 C ATOM 780 CE LYS A 48 83.814 0.359 15.442 1.00 0.48 C ATOM 781 NZ LYS A 48 85.269 0.068 15.308 1.00 1.10 N ATOM 0 H LYS A 48 80.674 3.884 13.054 1.00 0.26 H new ATOM 0 HA LYS A 48 83.156 2.506 11.983 1.00 0.35 H new ATOM 0 HB2 LYS A 48 80.314 1.540 12.648 1.00 0.45 H new ATOM 0 HB3 LYS A 48 81.609 0.523 12.046 1.00 0.45 H new ATOM 0 HG2 LYS A 48 81.782 2.114 14.654 1.00 0.60 H new ATOM 0 HG3 LYS A 48 81.298 0.432 14.576 1.00 0.60 H new ATOM 0 HD2 LYS A 48 83.498 -0.053 13.343 1.00 0.47 H new ATOM 0 HD3 LYS A 48 83.980 1.599 13.679 1.00 0.47 H new ATOM 0 HE2 LYS A 48 83.635 1.154 16.166 1.00 0.48 H new ATOM 0 HE3 LYS A 48 83.266 -0.517 15.789 1.00 0.48 H new ATOM 0 HZ1 LYS A 48 85.435 -0.948 15.455 1.00 1.10 H new ATOM 0 HZ2 LYS A 48 85.591 0.337 14.356 1.00 1.10 H new ATOM 0 HZ3 LYS A 48 85.799 0.611 16.019 1.00 1.10 H new ATOM 795 N GLU A 49 82.374 2.599 9.624 1.00 0.26 N ATOM 796 CA GLU A 49 81.945 2.835 8.211 1.00 0.20 C ATOM 797 C GLU A 49 82.372 1.669 7.313 1.00 0.19 C ATOM 798 O GLU A 49 83.139 0.814 7.713 1.00 0.21 O ATOM 799 CB GLU A 49 82.637 4.138 7.790 1.00 0.25 C ATOM 800 CG GLU A 49 84.160 3.987 7.900 1.00 0.80 C ATOM 801 CD GLU A 49 84.846 5.326 7.599 1.00 0.80 C ATOM 802 OE1 GLU A 49 84.262 6.133 6.892 1.00 0.96 O ATOM 803 OE2 GLU A 49 85.948 5.522 8.084 1.00 1.42 O ATOM 0 H GLU A 49 83.316 2.224 9.732 1.00 0.26 H new ATOM 0 HA GLU A 49 80.861 2.909 8.121 1.00 0.20 H new ATOM 0 HB2 GLU A 49 82.362 4.390 6.766 1.00 0.25 H new ATOM 0 HB3 GLU A 49 82.299 4.959 8.422 1.00 0.25 H new ATOM 0 HG2 GLU A 49 84.428 3.649 8.901 1.00 0.80 H new ATOM 0 HG3 GLU A 49 84.509 3.226 7.202 1.00 0.80 H new ATOM 810 N GLY A 50 81.871 1.636 6.103 1.00 0.16 N ATOM 811 CA GLY A 50 82.228 0.536 5.162 1.00 0.16 C ATOM 812 C GLY A 50 81.933 0.973 3.727 1.00 0.15 C ATOM 813 O GLY A 50 80.878 1.505 3.446 1.00 0.17 O ATOM 0 H GLY A 50 81.226 2.330 5.727 1.00 0.16 H new ATOM 0 HA2 GLY A 50 83.283 0.283 5.266 1.00 0.16 H new ATOM 0 HA3 GLY A 50 81.659 -0.362 5.404 1.00 0.16 H new ATOM 817 N THR A 51 82.835 0.704 2.814 1.00 0.14 N ATOM 818 CA THR A 51 82.585 1.052 1.381 1.00 0.14 C ATOM 819 C THR A 51 82.663 -0.211 0.522 1.00 0.13 C ATOM 820 O THR A 51 83.573 -1.008 0.671 1.00 0.15 O ATOM 821 CB THR A 51 83.706 2.018 0.986 1.00 0.16 C ATOM 822 OG1 THR A 51 83.986 2.898 2.064 1.00 0.18 O ATOM 823 CG2 THR A 51 83.272 2.833 -0.234 1.00 0.21 C ATOM 0 H THR A 51 83.733 0.258 3.000 1.00 0.14 H new ATOM 0 HA THR A 51 81.600 1.496 1.237 1.00 0.14 H new ATOM 0 HB THR A 51 84.602 1.446 0.745 1.00 0.16 H new ATOM 0 HG1 THR A 51 84.705 3.512 1.807 1.00 0.18 H new ATOM 0 HG21 THR A 51 84.070 3.520 -0.515 1.00 0.21 H new ATOM 0 HG22 THR A 51 83.063 2.160 -1.066 1.00 0.21 H new ATOM 0 HG23 THR A 51 82.373 3.400 0.008 1.00 0.21 H new ATOM 831 N PHE A 52 81.757 -0.367 -0.414 1.00 0.12 N ATOM 832 CA PHE A 52 81.828 -1.548 -1.333 1.00 0.13 C ATOM 833 C PHE A 52 81.106 -1.256 -2.663 1.00 0.11 C ATOM 834 O PHE A 52 80.378 -0.288 -2.783 1.00 0.10 O ATOM 835 CB PHE A 52 81.178 -2.711 -0.544 1.00 0.14 C ATOM 836 CG PHE A 52 79.664 -2.583 -0.495 1.00 0.13 C ATOM 837 CD1 PHE A 52 79.043 -1.592 0.337 1.00 0.14 C ATOM 838 CD2 PHE A 52 78.857 -3.453 -1.300 1.00 0.13 C ATOM 839 CE1 PHE A 52 77.611 -1.476 0.363 1.00 0.16 C ATOM 840 CE2 PHE A 52 77.429 -3.336 -1.276 1.00 0.14 C ATOM 841 CZ PHE A 52 76.805 -2.348 -0.445 1.00 0.15 C ATOM 0 H PHE A 52 80.976 0.268 -0.581 1.00 0.12 H new ATOM 0 HA PHE A 52 82.851 -1.796 -1.617 1.00 0.13 H new ATOM 0 HB2 PHE A 52 81.448 -3.660 -1.007 1.00 0.14 H new ATOM 0 HB3 PHE A 52 81.574 -2.728 0.471 1.00 0.14 H new ATOM 0 HD1 PHE A 52 79.650 -0.935 0.942 1.00 0.14 H new ATOM 0 HD2 PHE A 52 79.326 -4.198 -1.926 1.00 0.13 H new ATOM 0 HE1 PHE A 52 77.141 -0.733 0.990 1.00 0.16 H new ATOM 0 HE2 PHE A 52 76.823 -3.992 -1.884 1.00 0.14 H new ATOM 0 HZ PHE A 52 75.729 -2.260 -0.427 1.00 0.15 H new ATOM 851 N THR A 53 81.216 -2.157 -3.609 1.00 0.12 N ATOM 852 CA THR A 53 80.442 -2.020 -4.880 1.00 0.11 C ATOM 853 C THR A 53 79.312 -3.051 -4.906 1.00 0.11 C ATOM 854 O THR A 53 79.464 -4.157 -4.420 1.00 0.12 O ATOM 855 CB THR A 53 81.451 -2.302 -5.996 1.00 0.11 C ATOM 856 OG1 THR A 53 82.550 -1.411 -5.874 1.00 0.13 O ATOM 857 CG2 THR A 53 80.778 -2.107 -7.356 1.00 0.11 C ATOM 0 H THR A 53 81.811 -2.984 -3.554 1.00 0.12 H new ATOM 0 HA THR A 53 79.987 -1.035 -4.988 1.00 0.11 H new ATOM 0 HB THR A 53 81.807 -3.329 -5.915 1.00 0.11 H new ATOM 0 HG1 THR A 53 83.198 -1.591 -6.587 1.00 0.13 H new ATOM 0 HG21 THR A 53 81.497 -2.308 -8.150 1.00 0.11 H new ATOM 0 HG22 THR A 53 79.936 -2.793 -7.447 1.00 0.11 H new ATOM 0 HG23 THR A 53 80.421 -1.081 -7.441 1.00 0.11 H new ATOM 865 N ALA A 54 78.159 -2.670 -5.400 1.00 0.11 N ATOM 866 CA ALA A 54 76.987 -3.596 -5.381 1.00 0.13 C ATOM 867 C ALA A 54 76.174 -3.459 -6.668 1.00 0.13 C ATOM 868 O ALA A 54 75.984 -2.370 -7.175 1.00 0.11 O ATOM 869 CB ALA A 54 76.156 -3.156 -4.171 1.00 0.14 C ATOM 0 H ALA A 54 77.980 -1.756 -5.816 1.00 0.11 H new ATOM 0 HA ALA A 54 77.291 -4.641 -5.313 1.00 0.13 H new ATOM 0 HB1 ALA A 54 75.273 -3.789 -4.086 1.00 0.14 H new ATOM 0 HB2 ALA A 54 76.756 -3.247 -3.265 1.00 0.14 H new ATOM 0 HB3 ALA A 54 75.847 -2.118 -4.299 1.00 0.14 H new ATOM 875 N ARG A 55 75.616 -4.548 -7.141 1.00 0.15 N ATOM 876 CA ARG A 55 74.717 -4.479 -8.330 1.00 0.15 C ATOM 877 C ARG A 55 73.267 -4.337 -7.871 1.00 0.15 C ATOM 878 O ARG A 55 72.876 -4.874 -6.850 1.00 0.16 O ATOM 879 CB ARG A 55 74.916 -5.798 -9.075 1.00 0.19 C ATOM 880 CG ARG A 55 74.312 -5.677 -10.477 1.00 0.27 C ATOM 881 CD ARG A 55 74.546 -6.969 -11.270 1.00 0.45 C ATOM 882 NE ARG A 55 73.595 -7.968 -10.684 1.00 0.90 N ATOM 883 CZ ARG A 55 73.938 -8.779 -9.698 1.00 1.48 C ATOM 884 NH1 ARG A 55 75.126 -8.742 -9.137 1.00 1.67 N ATOM 885 NH2 ARG A 55 73.060 -9.640 -9.258 1.00 2.21 N ATOM 0 H ARG A 55 75.746 -5.482 -6.752 1.00 0.15 H new ATOM 0 HA ARG A 55 74.944 -3.625 -8.968 1.00 0.15 H new ATOM 0 HB2 ARG A 55 75.978 -6.036 -9.142 1.00 0.19 H new ATOM 0 HB3 ARG A 55 74.441 -6.613 -8.530 1.00 0.19 H new ATOM 0 HG2 ARG A 55 73.243 -5.475 -10.404 1.00 0.27 H new ATOM 0 HG3 ARG A 55 74.760 -4.834 -11.002 1.00 0.27 H new ATOM 0 HD2 ARG A 55 74.354 -6.819 -12.332 1.00 0.45 H new ATOM 0 HD3 ARG A 55 75.578 -7.307 -11.177 1.00 0.45 H new ATOM 0 HE ARG A 55 72.648 -8.024 -11.060 1.00 0.90 H new ATOM 0 HH11 ARG A 55 75.822 -8.070 -9.460 1.00 1.67 H new ATOM 0 HH12 ARG A 55 75.352 -9.385 -8.378 1.00 1.67 H new ATOM 0 HH21 ARG A 55 72.130 -9.678 -9.674 1.00 2.21 H new ATOM 0 HH22 ARG A 55 73.305 -10.275 -8.498 1.00 2.21 H new ATOM 899 N VAL A 56 72.477 -3.608 -8.612 1.00 0.14 N ATOM 900 CA VAL A 56 71.047 -3.405 -8.226 1.00 0.14 C ATOM 901 C VAL A 56 70.223 -4.633 -8.611 1.00 0.15 C ATOM 902 O VAL A 56 70.194 -5.037 -9.759 1.00 0.17 O ATOM 903 CB VAL A 56 70.598 -2.165 -9.011 1.00 0.14 C ATOM 904 CG1 VAL A 56 69.104 -1.882 -8.768 1.00 0.14 C ATOM 905 CG2 VAL A 56 71.429 -0.963 -8.553 1.00 0.17 C ATOM 0 H VAL A 56 72.761 -3.141 -9.473 1.00 0.14 H new ATOM 0 HA VAL A 56 70.916 -3.267 -7.153 1.00 0.14 H new ATOM 0 HB VAL A 56 70.747 -2.342 -10.076 1.00 0.14 H new ATOM 0 HG11 VAL A 56 68.804 -0.999 -9.333 1.00 0.14 H new ATOM 0 HG12 VAL A 56 68.514 -2.739 -9.093 1.00 0.14 H new ATOM 0 HG13 VAL A 56 68.935 -1.707 -7.705 1.00 0.14 H new ATOM 0 HG21 VAL A 56 71.119 -0.075 -9.104 1.00 0.17 H new ATOM 0 HG22 VAL A 56 71.276 -0.800 -7.486 1.00 0.17 H new ATOM 0 HG23 VAL A 56 72.485 -1.157 -8.742 1.00 0.17 H new ATOM 915 N GLY A 57 69.517 -5.183 -7.663 1.00 0.16 N ATOM 916 CA GLY A 57 68.633 -6.347 -7.953 1.00 0.19 C ATOM 917 C GLY A 57 67.179 -5.884 -8.038 1.00 0.18 C ATOM 918 O GLY A 57 66.885 -4.698 -8.032 1.00 0.16 O ATOM 0 H GLY A 57 69.514 -4.873 -6.691 1.00 0.16 H new ATOM 0 HA2 GLY A 57 68.930 -6.816 -8.891 1.00 0.19 H new ATOM 0 HA3 GLY A 57 68.740 -7.100 -7.172 1.00 0.19 H new ATOM 922 N GLU A 58 66.264 -6.817 -8.101 1.00 0.21 N ATOM 923 CA GLU A 58 64.815 -6.450 -8.177 1.00 0.22 C ATOM 924 C GLU A 58 64.405 -5.680 -6.917 1.00 0.22 C ATOM 925 O GLU A 58 65.048 -5.762 -5.890 1.00 0.24 O ATOM 926 CB GLU A 58 64.061 -7.781 -8.266 1.00 0.27 C ATOM 927 CG GLU A 58 62.609 -7.521 -8.690 1.00 0.81 C ATOM 928 CD GLU A 58 61.788 -8.824 -8.658 1.00 0.80 C ATOM 929 OE1 GLU A 58 62.327 -9.853 -8.273 1.00 1.28 O ATOM 930 OE2 GLU A 58 60.626 -8.766 -9.024 1.00 1.39 O ATOM 0 H GLU A 58 66.456 -7.819 -8.103 1.00 0.21 H new ATOM 0 HA GLU A 58 64.596 -5.809 -9.031 1.00 0.22 H new ATOM 0 HB2 GLU A 58 64.548 -8.440 -8.985 1.00 0.27 H new ATOM 0 HB3 GLU A 58 64.084 -8.289 -7.302 1.00 0.27 H new ATOM 0 HG2 GLU A 58 62.157 -6.785 -8.025 1.00 0.81 H new ATOM 0 HG3 GLU A 58 62.589 -7.098 -9.694 1.00 0.81 H new ATOM 937 N GLN A 59 63.366 -4.889 -7.015 1.00 0.25 N ATOM 938 CA GLN A 59 62.912 -4.051 -5.855 1.00 0.30 C ATOM 939 C GLN A 59 64.041 -3.162 -5.307 1.00 0.23 C ATOM 940 O GLN A 59 63.901 -2.595 -4.237 1.00 0.23 O ATOM 941 CB GLN A 59 62.447 -5.039 -4.775 1.00 0.37 C ATOM 942 CG GLN A 59 61.244 -5.840 -5.283 1.00 0.46 C ATOM 943 CD GLN A 59 60.062 -4.898 -5.527 1.00 0.56 C ATOM 944 OE1 GLN A 59 59.724 -4.097 -4.678 1.00 0.82 O ATOM 945 NE2 GLN A 59 59.414 -4.963 -6.658 1.00 0.81 N ATOM 0 H GLN A 59 62.804 -4.785 -7.860 1.00 0.25 H new ATOM 0 HA GLN A 59 62.116 -3.375 -6.166 1.00 0.30 H new ATOM 0 HB2 GLN A 59 63.261 -5.715 -4.514 1.00 0.37 H new ATOM 0 HB3 GLN A 59 62.178 -4.499 -3.867 1.00 0.37 H new ATOM 0 HG2 GLN A 59 61.504 -6.359 -6.205 1.00 0.46 H new ATOM 0 HG3 GLN A 59 60.969 -6.603 -4.555 1.00 0.46 H new ATOM 0 HE21 GLN A 59 59.698 -5.635 -7.371 1.00 0.81 H new ATOM 0 HE22 GLN A 59 58.624 -4.341 -6.829 1.00 0.81 H new ATOM 954 N GLY A 60 65.085 -2.916 -6.076 1.00 0.19 N ATOM 955 CA GLY A 60 66.116 -1.921 -5.637 1.00 0.16 C ATOM 956 C GLY A 60 66.966 -2.487 -4.493 1.00 0.12 C ATOM 957 O GLY A 60 67.513 -1.736 -3.701 1.00 0.12 O ATOM 0 H GLY A 60 65.262 -3.358 -6.978 1.00 0.19 H new ATOM 0 HA2 GLY A 60 66.758 -1.660 -6.478 1.00 0.16 H new ATOM 0 HA3 GLY A 60 65.627 -1.003 -5.313 1.00 0.16 H new ATOM 961 N SER A 61 66.999 -3.791 -4.336 1.00 0.14 N ATOM 962 CA SER A 61 67.729 -4.389 -3.175 1.00 0.16 C ATOM 963 C SER A 61 69.239 -4.393 -3.434 1.00 0.15 C ATOM 964 O SER A 61 69.686 -4.654 -4.535 1.00 0.18 O ATOM 965 CB SER A 61 67.203 -5.820 -3.060 1.00 0.21 C ATOM 966 OG SER A 61 67.751 -6.606 -4.111 1.00 1.30 O ATOM 0 H SER A 61 66.553 -4.463 -4.960 1.00 0.14 H new ATOM 0 HA SER A 61 67.567 -3.821 -2.259 1.00 0.16 H new ATOM 0 HB2 SER A 61 67.475 -6.244 -2.093 1.00 0.21 H new ATOM 0 HB3 SER A 61 66.114 -5.826 -3.115 1.00 0.21 H new ATOM 0 HG SER A 61 67.418 -7.525 -4.040 1.00 1.30 H new ATOM 972 N VAL A 62 70.017 -4.210 -2.398 1.00 0.14 N ATOM 973 CA VAL A 62 71.501 -4.318 -2.524 1.00 0.15 C ATOM 974 C VAL A 62 72.072 -5.038 -1.294 1.00 0.14 C ATOM 975 O VAL A 62 71.515 -4.953 -0.214 1.00 0.14 O ATOM 976 CB VAL A 62 72.001 -2.870 -2.613 1.00 0.17 C ATOM 977 CG1 VAL A 62 71.610 -2.094 -1.351 1.00 0.17 C ATOM 978 CG2 VAL A 62 73.524 -2.865 -2.757 1.00 0.21 C ATOM 0 H VAL A 62 69.683 -3.988 -1.460 1.00 0.14 H new ATOM 0 HA VAL A 62 71.813 -4.894 -3.395 1.00 0.15 H new ATOM 0 HB VAL A 62 71.545 -2.392 -3.480 1.00 0.17 H new ATOM 0 HG11 VAL A 62 71.971 -1.068 -1.428 1.00 0.17 H new ATOM 0 HG12 VAL A 62 70.525 -2.090 -1.248 1.00 0.17 H new ATOM 0 HG13 VAL A 62 72.055 -2.571 -0.478 1.00 0.17 H new ATOM 0 HG21 VAL A 62 73.880 -1.837 -2.820 1.00 0.21 H new ATOM 0 HG22 VAL A 62 73.973 -3.352 -1.891 1.00 0.21 H new ATOM 0 HG23 VAL A 62 73.806 -3.403 -3.662 1.00 0.21 H new ATOM 988 N ILE A 63 73.122 -5.805 -1.465 1.00 0.16 N ATOM 989 CA ILE A 63 73.669 -6.604 -0.320 1.00 0.17 C ATOM 990 C ILE A 63 75.041 -6.068 0.107 1.00 0.16 C ATOM 991 O ILE A 63 75.985 -6.081 -0.661 1.00 0.19 O ATOM 992 CB ILE A 63 73.797 -8.043 -0.849 1.00 0.23 C ATOM 993 CG1 ILE A 63 72.437 -8.551 -1.370 1.00 0.26 C ATOM 994 CG2 ILE A 63 74.288 -8.962 0.274 1.00 0.26 C ATOM 995 CD1 ILE A 63 71.383 -8.511 -0.255 1.00 0.34 C ATOM 0 H ILE A 63 73.624 -5.913 -2.346 1.00 0.16 H new ATOM 0 HA ILE A 63 73.022 -6.548 0.555 1.00 0.17 H new ATOM 0 HB ILE A 63 74.513 -8.050 -1.671 1.00 0.23 H new ATOM 0 HG12 ILE A 63 72.110 -7.937 -2.209 1.00 0.26 H new ATOM 0 HG13 ILE A 63 72.542 -9.570 -1.743 1.00 0.26 H new ATOM 0 HG21 ILE A 63 74.378 -9.981 -0.103 1.00 0.26 H new ATOM 0 HG22 ILE A 63 75.260 -8.618 0.626 1.00 0.26 H new ATOM 0 HG23 ILE A 63 73.575 -8.942 1.099 1.00 0.26 H new ATOM 0 HD11 ILE A 63 70.430 -8.873 -0.642 1.00 0.34 H new ATOM 0 HD12 ILE A 63 71.704 -9.145 0.572 1.00 0.34 H new ATOM 0 HD13 ILE A 63 71.265 -7.486 0.098 1.00 0.34 H new ATOM 1007 N ILE A 64 75.178 -5.708 1.361 1.00 0.15 N ATOM 1008 CA ILE A 64 76.518 -5.298 1.894 1.00 0.16 C ATOM 1009 C ILE A 64 77.371 -6.551 2.171 1.00 0.18 C ATOM 1010 O ILE A 64 76.842 -7.558 2.585 1.00 0.20 O ATOM 1011 CB ILE A 64 76.218 -4.543 3.195 1.00 0.19 C ATOM 1012 CG1 ILE A 64 75.346 -3.320 2.891 1.00 0.17 C ATOM 1013 CG2 ILE A 64 77.527 -4.076 3.838 1.00 0.34 C ATOM 1014 CD1 ILE A 64 74.733 -2.793 4.189 1.00 0.32 C ATOM 0 H ILE A 64 74.418 -5.680 2.041 1.00 0.15 H new ATOM 0 HA ILE A 64 77.077 -4.678 1.193 1.00 0.16 H new ATOM 0 HB ILE A 64 75.693 -5.210 3.879 1.00 0.19 H new ATOM 0 HG12 ILE A 64 75.945 -2.542 2.418 1.00 0.17 H new ATOM 0 HG13 ILE A 64 74.558 -3.588 2.187 1.00 0.17 H new ATOM 0 HG21 ILE A 64 77.308 -3.540 4.762 1.00 0.34 H new ATOM 0 HG22 ILE A 64 78.152 -4.941 4.060 1.00 0.34 H new ATOM 0 HG23 ILE A 64 78.054 -3.414 3.151 1.00 0.34 H new ATOM 0 HD11 ILE A 64 74.113 -1.923 3.972 1.00 0.32 H new ATOM 0 HD12 ILE A 64 74.120 -3.571 4.644 1.00 0.32 H new ATOM 0 HD13 ILE A 64 75.528 -2.509 4.878 1.00 0.32 H new ATOM 1026 N PRO A 65 78.666 -6.464 1.937 1.00 0.19 N ATOM 1027 CA PRO A 65 79.557 -7.641 2.173 1.00 0.23 C ATOM 1028 C PRO A 65 79.587 -8.012 3.661 1.00 0.26 C ATOM 1029 O PRO A 65 79.730 -7.164 4.521 1.00 0.23 O ATOM 1030 CB PRO A 65 80.919 -7.141 1.698 1.00 0.26 C ATOM 1031 CG PRO A 65 80.831 -5.666 1.876 1.00 0.24 C ATOM 1032 CD PRO A 65 79.439 -5.305 1.454 1.00 0.21 C ATOM 0 HA PRO A 65 79.231 -8.543 1.655 1.00 0.23 H new ATOM 0 HB2 PRO A 65 81.731 -7.568 2.287 1.00 0.26 H new ATOM 0 HB3 PRO A 65 81.104 -7.409 0.658 1.00 0.26 H new ATOM 0 HG2 PRO A 65 81.015 -5.382 2.912 1.00 0.24 H new ATOM 0 HG3 PRO A 65 81.574 -5.150 1.267 1.00 0.24 H new ATOM 0 HD2 PRO A 65 79.103 -4.372 1.907 1.00 0.21 H new ATOM 0 HD3 PRO A 65 79.358 -5.181 0.374 1.00 0.21 H new ATOM 1040 N LYS A 66 79.465 -9.283 3.964 1.00 0.41 N ATOM 1041 CA LYS A 66 79.491 -9.738 5.396 1.00 0.51 C ATOM 1042 C LYS A 66 80.764 -9.256 6.098 1.00 0.44 C ATOM 1043 O LYS A 66 80.761 -8.968 7.281 1.00 0.42 O ATOM 1044 CB LYS A 66 79.466 -11.269 5.335 1.00 0.69 C ATOM 1045 CG LYS A 66 79.354 -11.834 6.753 1.00 0.96 C ATOM 1046 CD LYS A 66 79.391 -13.363 6.697 1.00 1.31 C ATOM 1047 CE LYS A 66 79.123 -13.932 8.091 1.00 1.89 C ATOM 1048 NZ LYS A 66 79.689 -15.309 8.060 1.00 2.62 N ATOM 0 H LYS A 66 79.348 -10.030 3.279 1.00 0.41 H new ATOM 0 HA LYS A 66 78.649 -9.335 5.960 1.00 0.51 H new ATOM 0 HB2 LYS A 66 78.624 -11.606 4.730 1.00 0.69 H new ATOM 0 HB3 LYS A 66 80.372 -11.639 4.855 1.00 0.69 H new ATOM 0 HG2 LYS A 66 80.172 -11.462 7.370 1.00 0.96 H new ATOM 0 HG3 LYS A 66 78.427 -11.499 7.217 1.00 0.96 H new ATOM 0 HD2 LYS A 66 78.644 -13.730 5.993 1.00 1.31 H new ATOM 0 HD3 LYS A 66 80.362 -13.701 6.335 1.00 1.31 H new ATOM 0 HE2 LYS A 66 79.599 -13.327 8.863 1.00 1.89 H new ATOM 0 HE3 LYS A 66 78.056 -13.949 8.312 1.00 1.89 H new ATOM 0 HZ1 LYS A 66 79.543 -15.765 8.983 1.00 2.62 H new ATOM 0 HZ2 LYS A 66 79.212 -15.864 7.321 1.00 2.62 H new ATOM 0 HZ3 LYS A 66 80.707 -15.261 7.854 1.00 2.62 H new ATOM 1062 N ALA A 67 81.855 -9.192 5.376 1.00 0.43 N ATOM 1063 CA ALA A 67 83.153 -8.761 5.995 1.00 0.40 C ATOM 1064 C ALA A 67 83.018 -7.357 6.590 1.00 0.30 C ATOM 1065 O ALA A 67 83.541 -7.068 7.654 1.00 0.28 O ATOM 1066 CB ALA A 67 84.169 -8.759 4.850 1.00 0.45 C ATOM 0 H ALA A 67 81.906 -9.419 4.383 1.00 0.43 H new ATOM 0 HA ALA A 67 83.457 -9.424 6.805 1.00 0.40 H new ATOM 0 HB1 ALA A 67 85.144 -8.453 5.229 1.00 0.45 H new ATOM 0 HB2 ALA A 67 84.242 -9.761 4.427 1.00 0.45 H new ATOM 0 HB3 ALA A 67 83.845 -8.062 4.077 1.00 0.45 H new ATOM 1072 N LEU A 68 82.287 -6.497 5.926 1.00 0.27 N ATOM 1073 CA LEU A 68 82.082 -5.116 6.455 1.00 0.23 C ATOM 1074 C LEU A 68 81.054 -5.122 7.586 1.00 0.22 C ATOM 1075 O LEU A 68 81.164 -4.354 8.523 1.00 0.22 O ATOM 1076 CB LEU A 68 81.587 -4.278 5.269 1.00 0.28 C ATOM 1077 CG LEU A 68 82.716 -4.090 4.242 1.00 0.99 C ATOM 1078 CD1 LEU A 68 82.203 -3.249 3.071 1.00 1.24 C ATOM 1079 CD2 LEU A 68 83.902 -3.363 4.889 1.00 1.82 C ATOM 0 H LEU A 68 81.823 -6.693 5.039 1.00 0.27 H new ATOM 0 HA LEU A 68 83.002 -4.705 6.871 1.00 0.23 H new ATOM 0 HB2 LEU A 68 80.735 -4.769 4.798 1.00 0.28 H new ATOM 0 HB3 LEU A 68 81.240 -3.306 5.621 1.00 0.28 H new ATOM 0 HG LEU A 68 83.038 -5.070 3.889 1.00 0.99 H new ATOM 0 HD11 LEU A 68 83.002 -3.115 2.342 1.00 1.24 H new ATOM 0 HD12 LEU A 68 81.362 -3.757 2.599 1.00 1.24 H new ATOM 0 HD13 LEU A 68 81.879 -2.275 3.437 1.00 1.24 H new ATOM 0 HD21 LEU A 68 84.696 -3.235 4.153 1.00 1.82 H new ATOM 0 HD22 LEU A 68 83.578 -2.386 5.247 1.00 1.82 H new ATOM 0 HD23 LEU A 68 84.276 -3.951 5.727 1.00 1.82 H new ATOM 1091 N ARG A 69 80.071 -5.998 7.531 1.00 0.25 N ATOM 1092 CA ARG A 69 79.056 -6.060 8.639 1.00 0.28 C ATOM 1093 C ARG A 69 79.757 -6.324 9.974 1.00 0.25 C ATOM 1094 O ARG A 69 79.423 -5.741 10.989 1.00 0.26 O ATOM 1095 CB ARG A 69 78.153 -7.262 8.334 1.00 0.35 C ATOM 1096 CG ARG A 69 77.509 -7.158 6.950 1.00 0.46 C ATOM 1097 CD ARG A 69 76.431 -8.244 6.847 1.00 0.56 C ATOM 1098 NE ARG A 69 76.362 -8.624 5.401 1.00 0.98 N ATOM 1099 CZ ARG A 69 75.897 -9.804 5.015 1.00 1.92 C ATOM 1100 NH1 ARG A 69 75.439 -10.689 5.875 1.00 2.53 N ATOM 1101 NH2 ARG A 69 75.882 -10.094 3.745 1.00 2.30 N ATOM 0 H ARG A 69 79.929 -6.667 6.774 1.00 0.25 H new ATOM 0 HA ARG A 69 78.500 -5.125 8.704 1.00 0.28 H new ATOM 0 HB2 ARG A 69 78.738 -8.180 8.394 1.00 0.35 H new ATOM 0 HB3 ARG A 69 77.373 -7.331 9.092 1.00 0.35 H new ATOM 0 HG2 ARG A 69 77.070 -6.171 6.807 1.00 0.46 H new ATOM 0 HG3 ARG A 69 78.259 -7.290 6.170 1.00 0.46 H new ATOM 0 HD2 ARG A 69 76.685 -9.105 7.465 1.00 0.56 H new ATOM 0 HD3 ARG A 69 75.469 -7.872 7.199 1.00 0.56 H new ATOM 0 HE ARG A 69 76.680 -7.959 4.696 1.00 0.98 H new ATOM 0 HH11 ARG A 69 75.435 -10.476 6.873 1.00 2.53 H new ATOM 0 HH12 ARG A 69 75.088 -11.588 5.544 1.00 2.53 H new ATOM 0 HH21 ARG A 69 76.225 -9.417 3.063 1.00 2.30 H new ATOM 0 HH22 ARG A 69 75.527 -10.998 3.432 1.00 2.30 H new ATOM 1115 N ASP A 70 80.666 -7.267 9.978 1.00 0.25 N ATOM 1116 CA ASP A 70 81.337 -7.667 11.253 1.00 0.25 C ATOM 1117 C ASP A 70 82.273 -6.560 11.734 1.00 0.22 C ATOM 1118 O ASP A 70 82.266 -6.198 12.894 1.00 0.22 O ATOM 1119 CB ASP A 70 82.135 -8.932 10.915 1.00 0.27 C ATOM 1120 CG ASP A 70 81.179 -10.056 10.499 1.00 0.91 C ATOM 1121 OD1 ASP A 70 80.054 -10.063 10.973 1.00 1.56 O ATOM 1122 OD2 ASP A 70 81.592 -10.896 9.717 1.00 1.68 O ATOM 0 H ASP A 70 80.973 -7.778 9.151 1.00 0.25 H new ATOM 0 HA ASP A 70 80.616 -7.843 12.051 1.00 0.25 H new ATOM 0 HB2 ASP A 70 82.839 -8.724 10.109 1.00 0.27 H new ATOM 0 HB3 ASP A 70 82.723 -9.243 11.779 1.00 0.27 H new ATOM 1127 N VAL A 71 83.086 -6.030 10.851 1.00 0.21 N ATOM 1128 CA VAL A 71 84.058 -4.965 11.264 1.00 0.21 C ATOM 1129 C VAL A 71 83.301 -3.749 11.815 1.00 0.21 C ATOM 1130 O VAL A 71 83.758 -3.085 12.727 1.00 0.22 O ATOM 1131 CB VAL A 71 84.820 -4.603 9.976 1.00 0.23 C ATOM 1132 CG1 VAL A 71 85.784 -3.442 10.233 1.00 0.21 C ATOM 1133 CG2 VAL A 71 85.613 -5.824 9.501 1.00 0.28 C ATOM 0 H VAL A 71 83.119 -6.287 9.865 1.00 0.21 H new ATOM 0 HA VAL A 71 84.734 -5.297 12.052 1.00 0.21 H new ATOM 0 HB VAL A 71 84.102 -4.302 9.213 1.00 0.23 H new ATOM 0 HG11 VAL A 71 86.314 -3.199 9.312 1.00 0.21 H new ATOM 0 HG12 VAL A 71 85.222 -2.570 10.569 1.00 0.21 H new ATOM 0 HG13 VAL A 71 86.503 -3.729 11.001 1.00 0.21 H new ATOM 0 HG21 VAL A 71 86.155 -5.574 8.589 1.00 0.28 H new ATOM 0 HG22 VAL A 71 86.322 -6.121 10.274 1.00 0.28 H new ATOM 0 HG23 VAL A 71 84.928 -6.648 9.301 1.00 0.28 H new ATOM 1143 N ILE A 72 82.187 -3.426 11.220 1.00 0.21 N ATOM 1144 CA ILE A 72 81.423 -2.211 11.643 1.00 0.22 C ATOM 1145 C ILE A 72 80.546 -2.517 12.873 1.00 0.22 C ATOM 1146 O ILE A 72 80.170 -1.613 13.598 1.00 0.23 O ATOM 1147 CB ILE A 72 80.560 -1.839 10.427 1.00 0.24 C ATOM 1148 CG1 ILE A 72 81.470 -1.554 9.224 1.00 0.25 C ATOM 1149 CG2 ILE A 72 79.736 -0.582 10.733 1.00 0.27 C ATOM 1150 CD1 ILE A 72 80.619 -1.332 7.973 1.00 0.28 C ATOM 0 H ILE A 72 81.767 -3.952 10.454 1.00 0.21 H new ATOM 0 HA ILE A 72 82.082 -1.394 11.936 1.00 0.22 H new ATOM 0 HB ILE A 72 79.889 -2.668 10.202 1.00 0.24 H new ATOM 0 HG12 ILE A 72 82.082 -0.674 9.420 1.00 0.25 H new ATOM 0 HG13 ILE A 72 82.153 -2.389 9.067 1.00 0.25 H new ATOM 0 HG21 ILE A 72 79.128 -0.326 9.866 1.00 0.27 H new ATOM 0 HG22 ILE A 72 79.087 -0.771 11.588 1.00 0.27 H new ATOM 0 HG23 ILE A 72 80.407 0.246 10.963 1.00 0.27 H new ATOM 0 HD11 ILE A 72 81.269 -1.130 7.122 1.00 0.28 H new ATOM 0 HD12 ILE A 72 80.026 -2.225 7.773 1.00 0.28 H new ATOM 0 HD13 ILE A 72 79.954 -0.483 8.131 1.00 0.28 H new ATOM 1162 N GLY A 73 80.282 -3.776 13.158 1.00 0.21 N ATOM 1163 CA GLY A 73 79.505 -4.120 14.391 1.00 0.21 C ATOM 1164 C GLY A 73 78.018 -3.832 14.161 1.00 0.20 C ATOM 1165 O GLY A 73 77.338 -3.326 15.036 1.00 0.22 O ATOM 0 H GLY A 73 80.571 -4.573 12.591 1.00 0.21 H new ATOM 0 HA2 GLY A 73 79.647 -5.171 14.641 1.00 0.21 H new ATOM 0 HA3 GLY A 73 79.871 -3.539 15.237 1.00 0.21 H new ATOM 1169 N ILE A 74 77.539 -4.049 12.959 1.00 0.20 N ATOM 1170 CA ILE A 74 76.125 -3.673 12.626 1.00 0.21 C ATOM 1171 C ILE A 74 75.176 -4.847 12.897 1.00 0.21 C ATOM 1172 O ILE A 74 75.522 -5.998 12.699 1.00 0.23 O ATOM 1173 CB ILE A 74 76.138 -3.321 11.131 1.00 0.24 C ATOM 1174 CG1 ILE A 74 77.155 -2.197 10.851 1.00 0.27 C ATOM 1175 CG2 ILE A 74 74.741 -2.865 10.699 1.00 0.27 C ATOM 1176 CD1 ILE A 74 76.808 -0.940 11.665 1.00 0.77 C ATOM 0 H ILE A 74 78.065 -4.470 12.193 1.00 0.20 H new ATOM 0 HA ILE A 74 75.773 -2.840 13.235 1.00 0.21 H new ATOM 0 HB ILE A 74 76.427 -4.207 10.565 1.00 0.24 H new ATOM 0 HG12 ILE A 74 78.159 -2.536 11.105 1.00 0.27 H new ATOM 0 HG13 ILE A 74 77.159 -1.959 9.787 1.00 0.27 H new ATOM 0 HG21 ILE A 74 74.752 -2.616 9.638 1.00 0.27 H new ATOM 0 HG22 ILE A 74 74.025 -3.668 10.876 1.00 0.27 H new ATOM 0 HG23 ILE A 74 74.451 -1.987 11.275 1.00 0.27 H new ATOM 0 HD11 ILE A 74 77.537 -0.157 11.454 1.00 0.77 H new ATOM 0 HD12 ILE A 74 75.812 -0.592 11.390 1.00 0.77 H new ATOM 0 HD13 ILE A 74 76.828 -1.178 12.728 1.00 0.77 H new ATOM 1188 N LYS A 75 73.980 -4.554 13.347 1.00 0.22 N ATOM 1189 CA LYS A 75 72.988 -5.636 13.638 1.00 0.24 C ATOM 1190 C LYS A 75 71.607 -5.295 13.034 1.00 0.24 C ATOM 1191 O LYS A 75 71.322 -4.142 12.765 1.00 0.23 O ATOM 1192 CB LYS A 75 72.916 -5.728 15.172 1.00 0.29 C ATOM 1193 CG LYS A 75 72.389 -4.418 15.772 1.00 1.19 C ATOM 1194 CD LYS A 75 70.873 -4.514 15.965 1.00 1.71 C ATOM 1195 CE LYS A 75 70.472 -3.801 17.261 1.00 2.52 C ATOM 1196 NZ LYS A 75 69.007 -4.036 17.389 1.00 3.21 N ATOM 0 H LYS A 75 73.647 -3.607 13.526 1.00 0.22 H new ATOM 0 HA LYS A 75 73.286 -6.586 13.195 1.00 0.24 H new ATOM 0 HB2 LYS A 75 72.265 -6.553 15.461 1.00 0.29 H new ATOM 0 HB3 LYS A 75 73.905 -5.946 15.575 1.00 0.29 H new ATOM 0 HG2 LYS A 75 72.876 -4.222 16.728 1.00 1.19 H new ATOM 0 HG3 LYS A 75 72.630 -3.583 15.115 1.00 1.19 H new ATOM 0 HD2 LYS A 75 70.359 -4.063 15.116 1.00 1.71 H new ATOM 0 HD3 LYS A 75 70.567 -5.559 16.004 1.00 1.71 H new ATOM 0 HE2 LYS A 75 71.013 -4.204 18.117 1.00 2.52 H new ATOM 0 HE3 LYS A 75 70.699 -2.736 17.213 1.00 2.52 H new ATOM 0 HZ1 LYS A 75 68.537 -3.151 17.668 1.00 3.21 H new ATOM 0 HZ2 LYS A 75 68.626 -4.358 16.476 1.00 3.21 H new ATOM 0 HZ3 LYS A 75 68.834 -4.763 18.112 1.00 3.21 H new ATOM 1210 N PRO A 76 70.776 -6.308 12.843 1.00 0.25 N ATOM 1211 CA PRO A 76 69.416 -6.077 12.273 1.00 0.26 C ATOM 1212 C PRO A 76 68.647 -4.999 13.056 1.00 0.24 C ATOM 1213 O PRO A 76 68.561 -5.044 14.268 1.00 0.23 O ATOM 1214 CB PRO A 76 68.717 -7.429 12.414 1.00 0.29 C ATOM 1215 CG PRO A 76 69.807 -8.441 12.563 1.00 0.50 C ATOM 1216 CD PRO A 76 71.013 -7.737 13.124 1.00 0.28 C ATOM 0 HA PRO A 76 69.464 -5.722 11.243 1.00 0.26 H new ATOM 0 HB2 PRO A 76 68.055 -7.438 13.280 1.00 0.29 H new ATOM 0 HB3 PRO A 76 68.102 -7.644 11.540 1.00 0.29 H new ATOM 0 HG2 PRO A 76 69.492 -9.247 13.226 1.00 0.50 H new ATOM 0 HG3 PRO A 76 70.042 -8.894 11.600 1.00 0.50 H new ATOM 0 HD2 PRO A 76 71.116 -7.919 14.194 1.00 0.28 H new ATOM 0 HD3 PRO A 76 71.931 -8.087 12.652 1.00 0.28 H new ATOM 1224 N GLY A 77 68.015 -4.090 12.353 1.00 0.24 N ATOM 1225 CA GLY A 77 67.157 -3.065 13.026 1.00 0.24 C ATOM 1226 C GLY A 77 67.950 -1.777 13.322 1.00 0.22 C ATOM 1227 O GLY A 77 67.396 -0.823 13.838 1.00 0.24 O ATOM 0 H GLY A 77 68.057 -4.014 11.337 1.00 0.24 H new ATOM 0 HA2 GLY A 77 66.302 -2.830 12.392 1.00 0.24 H new ATOM 0 HA3 GLY A 77 66.762 -3.473 13.956 1.00 0.24 H new ATOM 1231 N GLU A 78 69.222 -1.725 12.984 1.00 0.20 N ATOM 1232 CA GLU A 78 70.021 -0.478 13.226 1.00 0.20 C ATOM 1233 C GLU A 78 70.011 0.403 11.981 1.00 0.18 C ATOM 1234 O GLU A 78 70.234 -0.075 10.885 1.00 0.18 O ATOM 1235 CB GLU A 78 71.441 -0.950 13.538 1.00 0.20 C ATOM 1236 CG GLU A 78 71.654 -0.969 15.056 1.00 0.22 C ATOM 1237 CD GLU A 78 73.140 -1.174 15.373 1.00 0.23 C ATOM 1238 OE1 GLU A 78 73.821 -1.793 14.571 1.00 1.07 O ATOM 1239 OE2 GLU A 78 73.572 -0.707 16.414 1.00 1.11 O ATOM 0 H GLU A 78 69.738 -2.491 12.552 1.00 0.20 H new ATOM 0 HA GLU A 78 69.609 0.115 14.042 1.00 0.20 H new ATOM 0 HB2 GLU A 78 71.603 -1.946 13.125 1.00 0.20 H new ATOM 0 HB3 GLU A 78 72.167 -0.288 13.067 1.00 0.20 H new ATOM 0 HG2 GLU A 78 71.306 -0.033 15.492 1.00 0.22 H new ATOM 0 HG3 GLU A 78 71.064 -1.768 15.505 1.00 0.22 H new ATOM 1246 N VAL A 79 69.681 1.662 12.136 1.00 0.19 N ATOM 1247 CA VAL A 79 69.557 2.559 10.949 1.00 0.18 C ATOM 1248 C VAL A 79 70.892 3.254 10.656 1.00 0.18 C ATOM 1249 O VAL A 79 71.491 3.863 11.519 1.00 0.19 O ATOM 1250 CB VAL A 79 68.473 3.579 11.329 1.00 0.20 C ATOM 1251 CG1 VAL A 79 68.905 4.392 12.564 1.00 0.24 C ATOM 1252 CG2 VAL A 79 68.227 4.522 10.144 1.00 0.21 C ATOM 0 H VAL A 79 69.492 2.106 13.035 1.00 0.19 H new ATOM 0 HA VAL A 79 69.294 2.010 10.045 1.00 0.18 H new ATOM 0 HB VAL A 79 67.554 3.046 11.572 1.00 0.20 H new ATOM 0 HG11 VAL A 79 68.125 5.109 12.818 1.00 0.24 H new ATOM 0 HG12 VAL A 79 69.066 3.718 13.405 1.00 0.24 H new ATOM 0 HG13 VAL A 79 69.830 4.925 12.343 1.00 0.24 H new ATOM 0 HG21 VAL A 79 67.458 5.247 10.410 1.00 0.21 H new ATOM 0 HG22 VAL A 79 69.151 5.046 9.898 1.00 0.21 H new ATOM 0 HG23 VAL A 79 67.897 3.944 9.281 1.00 0.21 H new ATOM 1262 N ILE A 80 71.338 3.170 9.430 1.00 0.17 N ATOM 1263 CA ILE A 80 72.617 3.821 9.027 1.00 0.17 C ATOM 1264 C ILE A 80 72.343 4.865 7.936 1.00 0.17 C ATOM 1265 O ILE A 80 71.374 4.766 7.205 1.00 0.17 O ATOM 1266 CB ILE A 80 73.505 2.681 8.490 1.00 0.17 C ATOM 1267 CG1 ILE A 80 72.838 2.021 7.277 1.00 0.17 C ATOM 1268 CG2 ILE A 80 73.719 1.631 9.584 1.00 0.18 C ATOM 1269 CD1 ILE A 80 73.792 0.998 6.654 1.00 0.18 C ATOM 0 H ILE A 80 70.861 2.669 8.680 1.00 0.17 H new ATOM 0 HA ILE A 80 73.100 4.341 9.854 1.00 0.17 H new ATOM 0 HB ILE A 80 74.467 3.097 8.190 1.00 0.17 H new ATOM 0 HG12 ILE A 80 71.913 1.531 7.581 1.00 0.17 H new ATOM 0 HG13 ILE A 80 72.571 2.779 6.540 1.00 0.17 H new ATOM 0 HG21 ILE A 80 74.347 0.828 9.199 1.00 0.18 H new ATOM 0 HG22 ILE A 80 74.207 2.094 10.442 1.00 0.18 H new ATOM 0 HG23 ILE A 80 72.756 1.223 9.890 1.00 0.18 H new ATOM 0 HD11 ILE A 80 73.314 0.532 5.793 1.00 0.18 H new ATOM 0 HD12 ILE A 80 74.705 1.500 6.334 1.00 0.18 H new ATOM 0 HD13 ILE A 80 74.037 0.233 7.391 1.00 0.18 H new ATOM 1281 N GLU A 81 73.244 5.793 7.763 1.00 0.18 N ATOM 1282 CA GLU A 81 73.117 6.780 6.654 1.00 0.18 C ATOM 1283 C GLU A 81 73.972 6.317 5.479 1.00 0.17 C ATOM 1284 O GLU A 81 75.081 5.848 5.662 1.00 0.19 O ATOM 1285 CB GLU A 81 73.655 8.090 7.231 1.00 0.20 C ATOM 1286 CG GLU A 81 73.540 9.199 6.185 1.00 0.21 C ATOM 1287 CD GLU A 81 74.174 10.480 6.732 1.00 0.23 C ATOM 1288 OE1 GLU A 81 73.644 11.017 7.691 1.00 1.04 O ATOM 1289 OE2 GLU A 81 75.179 10.901 6.183 1.00 1.14 O ATOM 0 H GLU A 81 74.071 5.910 8.349 1.00 0.18 H new ATOM 0 HA GLU A 81 72.094 6.892 6.294 1.00 0.18 H new ATOM 0 HB2 GLU A 81 73.095 8.361 8.126 1.00 0.20 H new ATOM 0 HB3 GLU A 81 74.696 7.966 7.531 1.00 0.20 H new ATOM 0 HG2 GLU A 81 74.038 8.898 5.263 1.00 0.21 H new ATOM 0 HG3 GLU A 81 72.493 9.375 5.939 1.00 0.21 H new ATOM 1296 N VAL A 82 73.397 6.287 4.305 1.00 0.16 N ATOM 1297 CA VAL A 82 74.093 5.673 3.139 1.00 0.17 C ATOM 1298 C VAL A 82 74.385 6.735 2.077 1.00 0.16 C ATOM 1299 O VAL A 82 73.513 7.481 1.670 1.00 0.17 O ATOM 1300 CB VAL A 82 73.114 4.616 2.612 1.00 0.18 C ATOM 1301 CG1 VAL A 82 73.706 3.925 1.384 1.00 0.20 C ATOM 1302 CG2 VAL A 82 72.865 3.569 3.700 1.00 0.19 C ATOM 0 H VAL A 82 72.471 6.664 4.104 1.00 0.16 H new ATOM 0 HA VAL A 82 75.054 5.235 3.407 1.00 0.17 H new ATOM 0 HB VAL A 82 72.177 5.102 2.339 1.00 0.18 H new ATOM 0 HG11 VAL A 82 73.006 3.176 1.015 1.00 0.20 H new ATOM 0 HG12 VAL A 82 73.891 4.664 0.604 1.00 0.20 H new ATOM 0 HG13 VAL A 82 74.645 3.442 1.656 1.00 0.20 H new ATOM 0 HG21 VAL A 82 72.170 2.816 3.328 1.00 0.19 H new ATOM 0 HG22 VAL A 82 73.807 3.091 3.968 1.00 0.19 H new ATOM 0 HG23 VAL A 82 72.440 4.052 4.580 1.00 0.19 H new ATOM 1312 N LEU A 83 75.610 6.795 1.635 1.00 0.16 N ATOM 1313 CA LEU A 83 76.007 7.794 0.596 1.00 0.17 C ATOM 1314 C LEU A 83 76.448 7.056 -0.669 1.00 0.15 C ATOM 1315 O LEU A 83 77.365 6.261 -0.620 1.00 0.12 O ATOM 1316 CB LEU A 83 77.220 8.548 1.181 1.00 0.21 C ATOM 1317 CG LEU A 83 76.940 9.047 2.605 1.00 0.20 C ATOM 1318 CD1 LEU A 83 78.182 9.757 3.145 1.00 0.25 C ATOM 1319 CD2 LEU A 83 75.758 10.014 2.582 1.00 0.20 C ATOM 0 H LEU A 83 76.365 6.187 1.952 1.00 0.16 H new ATOM 0 HA LEU A 83 75.186 8.466 0.345 1.00 0.17 H new ATOM 0 HB2 LEU A 83 78.089 7.890 1.189 1.00 0.21 H new ATOM 0 HB3 LEU A 83 77.467 9.394 0.540 1.00 0.21 H new ATOM 0 HG LEU A 83 76.699 8.202 3.250 1.00 0.20 H new ATOM 0 HD11 LEU A 83 77.987 10.113 4.157 1.00 0.25 H new ATOM 0 HD12 LEU A 83 79.021 9.061 3.161 1.00 0.25 H new ATOM 0 HD13 LEU A 83 78.425 10.604 2.503 1.00 0.25 H new ATOM 0 HD21 LEU A 83 75.558 10.369 3.593 1.00 0.20 H new ATOM 0 HD22 LEU A 83 75.994 10.862 1.940 1.00 0.20 H new ATOM 0 HD23 LEU A 83 74.876 9.502 2.197 1.00 0.20 H new ATOM 1331 N LEU A 84 75.915 7.413 -1.813 1.00 0.16 N ATOM 1332 CA LEU A 84 76.439 6.834 -3.091 1.00 0.15 C ATOM 1333 C LEU A 84 77.719 7.561 -3.502 1.00 0.15 C ATOM 1334 O LEU A 84 77.849 8.754 -3.306 1.00 0.17 O ATOM 1335 CB LEU A 84 75.340 7.047 -4.125 1.00 0.18 C ATOM 1336 CG LEU A 84 74.365 5.866 -4.073 1.00 0.21 C ATOM 1337 CD1 LEU A 84 72.952 6.325 -4.477 1.00 0.20 C ATOM 1338 CD2 LEU A 84 74.857 4.778 -5.034 1.00 0.28 C ATOM 0 H LEU A 84 75.146 8.075 -1.917 1.00 0.16 H new ATOM 0 HA LEU A 84 76.685 5.777 -2.992 1.00 0.15 H new ATOM 0 HB2 LEU A 84 74.812 7.979 -3.925 1.00 0.18 H new ATOM 0 HB3 LEU A 84 75.773 7.133 -5.122 1.00 0.18 H new ATOM 0 HG LEU A 84 74.322 5.471 -3.058 1.00 0.21 H new ATOM 0 HD11 LEU A 84 72.268 5.477 -4.436 1.00 0.20 H new ATOM 0 HD12 LEU A 84 72.611 7.100 -3.790 1.00 0.20 H new ATOM 0 HD13 LEU A 84 72.975 6.724 -5.491 1.00 0.20 H new ATOM 0 HD21 LEU A 84 74.171 3.931 -5.007 1.00 0.28 H new ATOM 0 HD22 LEU A 84 74.898 5.179 -6.047 1.00 0.28 H new ATOM 0 HD23 LEU A 84 75.852 4.449 -4.733 1.00 0.28 H new ATOM 1350 N LEU A 85 78.691 6.833 -3.989 1.00 0.14 N ATOM 1351 CA LEU A 85 80.007 7.452 -4.324 1.00 0.17 C ATOM 1352 C LEU A 85 80.214 7.510 -5.840 1.00 0.18 C ATOM 1353 O LEU A 85 80.888 8.395 -6.339 1.00 0.24 O ATOM 1354 CB LEU A 85 81.047 6.543 -3.668 1.00 0.22 C ATOM 1355 CG LEU A 85 81.326 7.035 -2.247 1.00 0.89 C ATOM 1356 CD1 LEU A 85 81.964 5.909 -1.432 1.00 1.13 C ATOM 1357 CD2 LEU A 85 82.281 8.230 -2.301 1.00 1.60 C ATOM 0 H LEU A 85 78.628 5.831 -4.170 1.00 0.14 H new ATOM 0 HA LEU A 85 80.077 8.480 -3.968 1.00 0.17 H new ATOM 0 HB2 LEU A 85 80.685 5.515 -3.644 1.00 0.22 H new ATOM 0 HB3 LEU A 85 81.967 6.544 -4.252 1.00 0.22 H new ATOM 0 HG LEU A 85 80.390 7.337 -1.777 1.00 0.89 H new ATOM 0 HD11 LEU A 85 82.163 6.260 -0.419 1.00 1.13 H new ATOM 0 HD12 LEU A 85 81.285 5.057 -1.394 1.00 1.13 H new ATOM 0 HD13 LEU A 85 82.900 5.606 -1.901 1.00 1.13 H new ATOM 0 HD21 LEU A 85 82.481 8.582 -1.289 1.00 1.60 H new ATOM 0 HD22 LEU A 85 83.217 7.927 -2.771 1.00 1.60 H new ATOM 0 HD23 LEU A 85 81.827 9.033 -2.881 1.00 1.60 H new ATOM 1369 N GLY A 86 79.707 6.538 -6.567 1.00 0.16 N ATOM 1370 CA GLY A 86 79.960 6.507 -8.049 1.00 0.20 C ATOM 1371 C GLY A 86 79.056 5.480 -8.740 1.00 0.17 C ATOM 1372 O GLY A 86 78.176 4.907 -8.132 1.00 0.15 O ATOM 0 H GLY A 86 79.136 5.774 -6.205 1.00 0.16 H new ATOM 0 HA2 GLY A 86 79.783 7.496 -8.472 1.00 0.20 H new ATOM 0 HA3 GLY A 86 81.005 6.262 -8.238 1.00 0.20 H new ATOM 1376 N HIS A 87 79.248 5.286 -10.028 1.00 0.20 N ATOM 1377 CA HIS A 87 78.373 4.344 -10.799 1.00 0.19 C ATOM 1378 C HIS A 87 79.187 3.598 -11.869 1.00 0.19 C ATOM 1379 O HIS A 87 80.159 4.117 -12.389 1.00 0.24 O ATOM 1380 CB HIS A 87 77.307 5.236 -11.461 1.00 0.28 C ATOM 1381 CG HIS A 87 77.958 6.262 -12.358 1.00 0.76 C ATOM 1382 ND1 HIS A 87 78.281 5.991 -13.678 1.00 1.31 N ATOM 1383 CD2 HIS A 87 78.349 7.559 -12.134 1.00 1.72 C ATOM 1384 CE1 HIS A 87 78.840 7.100 -14.195 1.00 1.57 C ATOM 1385 NE2 HIS A 87 78.906 8.085 -13.296 1.00 1.89 N ATOM 0 H HIS A 87 79.976 5.742 -10.578 1.00 0.20 H new ATOM 0 HA HIS A 87 77.930 3.584 -10.155 1.00 0.19 H new ATOM 0 HB2 HIS A 87 76.619 4.621 -12.041 1.00 0.28 H new ATOM 0 HB3 HIS A 87 76.717 5.737 -10.694 1.00 0.28 H new ATOM 0 HD2 HIS A 87 78.241 8.090 -11.200 1.00 1.72 H new ATOM 0 HE1 HIS A 87 79.192 7.183 -15.213 1.00 1.57 H new ATOM 0 HE2 HIS A 87 79.284 9.023 -13.432 1.00 1.89 H new ATOM 1393 N TYR A 88 78.748 2.420 -12.254 1.00 0.16 N ATOM 1394 CA TYR A 88 79.436 1.675 -13.352 1.00 0.19 C ATOM 1395 C TYR A 88 78.404 1.040 -14.289 1.00 0.21 C ATOM 1396 O TYR A 88 77.406 0.495 -13.849 1.00 0.17 O ATOM 1397 CB TYR A 88 80.260 0.597 -12.647 1.00 0.21 C ATOM 1398 CG TYR A 88 81.386 1.248 -11.880 1.00 0.32 C ATOM 1399 CD1 TYR A 88 82.628 1.537 -12.538 1.00 0.66 C ATOM 1400 CD2 TYR A 88 81.215 1.581 -10.494 1.00 0.59 C ATOM 1401 CE1 TYR A 88 83.699 2.156 -11.811 1.00 0.77 C ATOM 1402 CE2 TYR A 88 82.285 2.200 -9.767 1.00 0.70 C ATOM 1403 CZ TYR A 88 83.528 2.488 -10.426 1.00 0.65 C ATOM 1404 OH TYR A 88 84.557 3.084 -9.727 1.00 0.80 O ATOM 0 H TYR A 88 77.940 1.944 -11.852 1.00 0.16 H new ATOM 0 HA TYR A 88 80.060 2.326 -13.964 1.00 0.19 H new ATOM 0 HB2 TYR A 88 79.627 0.025 -11.969 1.00 0.21 H new ATOM 0 HB3 TYR A 88 80.661 -0.105 -13.378 1.00 0.21 H new ATOM 0 HD1 TYR A 88 82.757 1.288 -13.581 1.00 0.66 H new ATOM 0 HD2 TYR A 88 80.280 1.365 -9.999 1.00 0.59 H new ATOM 0 HE1 TYR A 88 84.634 2.372 -12.307 1.00 0.77 H new ATOM 0 HE2 TYR A 88 82.156 2.450 -8.724 1.00 0.70 H new ATOM 0 HH TYR A 88 84.275 3.243 -8.802 1.00 0.80 H new ATOM 1414 N LYS A 89 78.655 1.084 -15.575 1.00 0.29 N ATOM 1415 CA LYS A 89 77.711 0.458 -16.553 1.00 0.33 C ATOM 1416 C LYS A 89 77.967 -1.058 -16.648 1.00 0.52 C ATOM 1417 O LYS A 89 79.078 -1.500 -16.431 1.00 0.94 O ATOM 1418 CB LYS A 89 77.994 1.146 -17.897 1.00 0.48 C ATOM 1419 CG LYS A 89 79.459 0.942 -18.307 1.00 1.38 C ATOM 1420 CD LYS A 89 79.570 0.971 -19.833 1.00 1.82 C ATOM 1421 CE LYS A 89 80.774 0.136 -20.273 1.00 2.32 C ATOM 1422 NZ LYS A 89 81.949 1.035 -20.097 1.00 2.99 N ATOM 0 H LYS A 89 79.474 1.527 -15.990 1.00 0.29 H new ATOM 0 HA LYS A 89 76.671 0.583 -16.253 1.00 0.33 H new ATOM 0 HB2 LYS A 89 77.335 0.741 -18.665 1.00 0.48 H new ATOM 0 HB3 LYS A 89 77.777 2.211 -17.820 1.00 0.48 H new ATOM 0 HG2 LYS A 89 80.082 1.723 -17.871 1.00 1.38 H new ATOM 0 HG3 LYS A 89 79.826 -0.010 -17.923 1.00 1.38 H new ATOM 0 HD2 LYS A 89 78.658 0.578 -20.282 1.00 1.82 H new ATOM 0 HD3 LYS A 89 79.680 1.998 -20.181 1.00 1.82 H new ATOM 0 HE2 LYS A 89 80.872 -0.765 -19.668 1.00 2.32 H new ATOM 0 HE3 LYS A 89 80.674 -0.185 -21.310 1.00 2.32 H new ATOM 0 HZ1 LYS A 89 82.815 0.533 -20.379 1.00 2.99 H new ATOM 0 HZ2 LYS A 89 81.831 1.881 -20.690 1.00 2.99 H new ATOM 0 HZ3 LYS A 89 82.022 1.319 -19.099 1.00 2.99 H new ATOM 1436 N PRO A 90 76.939 -1.817 -16.990 1.00 0.71 N ATOM 1437 CA PRO A 90 77.098 -3.299 -17.128 1.00 0.93 C ATOM 1438 C PRO A 90 78.213 -3.640 -18.124 1.00 0.85 C ATOM 1439 O PRO A 90 78.391 -2.963 -19.121 1.00 1.30 O ATOM 1440 CB PRO A 90 75.737 -3.737 -17.670 1.00 1.39 C ATOM 1441 CG PRO A 90 74.801 -2.700 -17.152 1.00 1.68 C ATOM 1442 CD PRO A 90 75.548 -1.406 -17.273 1.00 1.19 C ATOM 0 HA PRO A 90 77.373 -3.791 -16.195 1.00 0.93 H new ATOM 0 HB2 PRO A 90 75.732 -3.773 -18.759 1.00 1.39 H new ATOM 0 HB3 PRO A 90 75.467 -4.732 -17.317 1.00 1.39 H new ATOM 0 HG2 PRO A 90 73.877 -2.678 -17.731 1.00 1.68 H new ATOM 0 HG3 PRO A 90 74.524 -2.900 -16.117 1.00 1.68 H new ATOM 0 HD2 PRO A 90 75.447 -0.970 -18.267 1.00 1.19 H new ATOM 0 HD3 PRO A 90 75.191 -0.662 -16.561 1.00 1.19 H new ATOM 1450 N ARG A 91 78.958 -4.685 -17.859 1.00 1.61 N ATOM 1451 CA ARG A 91 80.064 -5.083 -18.783 1.00 1.99 C ATOM 1452 C ARG A 91 80.060 -6.602 -19.000 1.00 2.65 C ATOM 1453 O ARG A 91 79.527 -7.349 -18.200 1.00 3.38 O ATOM 1454 CB ARG A 91 81.352 -4.625 -18.086 1.00 3.06 C ATOM 1455 CG ARG A 91 81.494 -5.319 -16.726 1.00 3.64 C ATOM 1456 CD ARG A 91 82.654 -4.688 -15.950 1.00 4.74 C ATOM 1457 NE ARG A 91 82.791 -5.516 -14.709 1.00 5.48 N ATOM 1458 CZ ARG A 91 83.914 -5.545 -14.012 1.00 6.33 C ATOM 1459 NH1 ARG A 91 84.972 -4.845 -14.365 1.00 6.87 N ATOM 1460 NH2 ARG A 91 83.976 -6.288 -12.941 1.00 6.83 N ATOM 0 H ARG A 91 78.847 -5.281 -17.039 1.00 1.61 H new ATOM 0 HA ARG A 91 79.961 -4.632 -19.770 1.00 1.99 H new ATOM 0 HB2 ARG A 91 82.214 -4.855 -18.712 1.00 3.06 H new ATOM 0 HB3 ARG A 91 81.336 -3.544 -17.951 1.00 3.06 H new ATOM 0 HG2 ARG A 91 80.568 -5.224 -16.159 1.00 3.64 H new ATOM 0 HG3 ARG A 91 81.673 -6.385 -16.867 1.00 3.64 H new ATOM 0 HD2 ARG A 91 83.573 -4.701 -16.536 1.00 4.74 H new ATOM 0 HD3 ARG A 91 82.445 -3.646 -15.707 1.00 4.74 H new ATOM 0 HE ARG A 91 81.996 -6.072 -14.393 1.00 5.48 H new ATOM 0 HH11 ARG A 91 84.940 -4.258 -15.199 1.00 6.87 H new ATOM 0 HH12 ARG A 91 85.823 -4.890 -13.805 1.00 6.87 H new ATOM 0 HH21 ARG A 91 83.165 -6.836 -12.653 1.00 6.83 H new ATOM 0 HH22 ARG A 91 84.835 -6.321 -12.392 1.00 6.83 H new ATOM 1474 N ASN A 92 80.652 -7.055 -20.079 1.00 3.10 N ATOM 1475 CA ASN A 92 80.691 -8.522 -20.364 1.00 4.24 C ATOM 1476 C ASN A 92 82.104 -8.942 -20.780 1.00 4.85 C ATOM 1477 O ASN A 92 82.311 -10.126 -20.989 1.00 5.20 O ATOM 1478 CB ASN A 92 79.709 -8.728 -21.518 1.00 4.82 C ATOM 1479 CG ASN A 92 79.583 -10.222 -21.820 1.00 5.68 C ATOM 1480 OD1 ASN A 92 80.114 -10.701 -22.802 1.00 5.95 O ATOM 1481 ND2 ASN A 92 78.895 -10.982 -21.014 1.00 6.47 N ATOM 1482 OXT ASN A 92 82.953 -8.072 -20.881 1.00 5.35 O ATOM 0 H ASN A 92 81.111 -6.469 -20.776 1.00 3.10 H new ATOM 0 HA ASN A 92 80.426 -9.119 -19.492 1.00 4.24 H new ATOM 0 HB2 ASN A 92 78.734 -8.315 -21.258 1.00 4.82 H new ATOM 0 HB3 ASN A 92 80.055 -8.195 -22.404 1.00 4.82 H new ATOM 0 HD21 ASN A 92 78.803 -11.979 -21.208 1.00 6.47 H new ATOM 0 HD22 ASN A 92 78.449 -10.579 -20.190 1.00 6.47 H new TER 1489 ASN A 92