USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 752 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-1.9!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 173:sc= 1.59 (180deg=1.51) USER MOD Set 2.2: A 24 SER OG : rot 180:sc= 0.474 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 45:sc= 0.0715 USER MOD Single : A 21 THR OG1 : rot -83:sc= 0.943 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0.221 K(o=0.22,f=-0.5) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0179 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 48 TYR OH : rot 100:sc= 0.723 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= -0.0416 (180deg=-0.275) USER MOD Single : A 60 SER OG : rot 170:sc= 0.324 USER MOD Single : A 65 HIS : no HD1:sc= -0.959 K(o=-0.96,f=-2.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.66) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -173:sc= -0.272 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -1.21 K(o=-1.2,f=-5.8!) USER MOD Single : A 89 THR OG1 : rot 71:sc= 1.2 USER MOD Single : A 92 ASN : amide:sc= -0.809 K(o=-0.81,f=0) USER MOD Single : A 93 THR OG1 : rot -85:sc= 0.158 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.704 K(o=-0.7,f=-0.014) USER MOD Single : A 103 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.06) USER MOD Single : A 105 GLN : amide:sc= -1.56! C(o=-1.6!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 79.202 -8.084 12.710 1.00 0.00 N ATOM 2 CA LYS A 9 78.754 -7.527 13.968 1.00 0.00 C ATOM 3 C LYS A 9 78.852 -6.007 14.003 1.00 0.00 C ATOM 4 O LYS A 9 79.731 -5.409 13.371 1.00 0.00 O ATOM 5 CB LYS A 9 79.528 -8.148 15.150 1.00 0.00 C ATOM 6 CG LYS A 9 81.010 -7.776 15.237 1.00 0.00 C ATOM 7 CD LYS A 9 81.717 -8.526 16.368 1.00 0.00 C ATOM 8 CE LYS A 9 81.038 -8.309 17.712 1.00 0.00 C ATOM 9 NZ LYS A 9 81.703 -9.038 18.811 1.00 0.00 N ATOM 0 HA LYS A 9 77.698 -7.781 14.065 1.00 0.00 H new ATOM 0 HB2 LYS A 9 79.041 -7.848 16.078 1.00 0.00 H new ATOM 0 HB3 LYS A 9 79.447 -9.233 15.084 1.00 0.00 H new ATOM 0 HG2 LYS A 9 81.498 -8.003 14.289 1.00 0.00 H new ATOM 0 HG3 LYS A 9 81.107 -6.702 15.396 1.00 0.00 H new ATOM 0 HD2 LYS A 9 81.735 -9.592 16.140 1.00 0.00 H new ATOM 0 HD3 LYS A 9 82.754 -8.195 16.429 1.00 0.00 H new ATOM 0 HE2 LYS A 9 81.028 -7.244 17.942 1.00 0.00 H new ATOM 0 HE3 LYS A 9 79.998 -8.630 17.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 81.200 -8.855 19.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 81.690 -10.058 18.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 82.688 -8.715 18.896 1.00 0.00 H new ATOM 23 N PRO A 10 77.930 -5.360 14.719 1.00 0.00 N ATOM 24 CA PRO A 10 77.953 -3.921 14.899 1.00 0.00 C ATOM 25 C PRO A 10 79.208 -3.499 15.659 1.00 0.00 C ATOM 26 O PRO A 10 79.376 -3.815 16.846 1.00 0.00 O ATOM 27 CB PRO A 10 76.698 -3.628 15.731 1.00 0.00 C ATOM 28 CG PRO A 10 76.327 -4.925 16.353 1.00 0.00 C ATOM 29 CD PRO A 10 76.776 -5.979 15.396 1.00 0.00 C ATOM 0 HA PRO A 10 77.965 -3.379 13.953 1.00 0.00 H new ATOM 0 HB2 PRO A 10 76.897 -2.871 16.490 1.00 0.00 H new ATOM 0 HB3 PRO A 10 75.891 -3.247 15.105 1.00 0.00 H new ATOM 0 HG2 PRO A 10 76.810 -5.046 17.323 1.00 0.00 H new ATOM 0 HG3 PRO A 10 75.252 -4.984 16.523 1.00 0.00 H new ATOM 0 HD2 PRO A 10 77.058 -6.896 15.913 1.00 0.00 H new ATOM 0 HD3 PRO A 10 75.989 -6.241 14.689 1.00 0.00 H new ATOM 37 N GLY A 11 80.103 -2.871 14.955 1.00 0.00 N ATOM 38 CA GLY A 11 81.328 -2.418 15.541 1.00 0.00 C ATOM 39 C GLY A 11 82.502 -2.924 14.758 1.00 0.00 C ATOM 40 O GLY A 11 83.626 -2.463 14.940 1.00 0.00 O ATOM 0 H GLY A 11 80.004 -2.659 13.962 1.00 0.00 H new ATOM 0 HA2 GLY A 11 81.344 -1.328 15.569 1.00 0.00 H new ATOM 0 HA3 GLY A 11 81.395 -2.764 16.572 1.00 0.00 H new ATOM 44 N ASP A 12 82.228 -3.846 13.856 1.00 0.00 N ATOM 45 CA ASP A 12 83.265 -4.466 13.052 1.00 0.00 C ATOM 46 C ASP A 12 83.648 -3.543 11.910 1.00 0.00 C ATOM 47 O ASP A 12 82.770 -2.987 11.206 1.00 0.00 O ATOM 48 CB ASP A 12 82.742 -5.754 12.434 1.00 0.00 C ATOM 49 CG ASP A 12 83.813 -6.790 12.110 1.00 0.00 C ATOM 50 OD1 ASP A 12 84.959 -6.428 11.845 1.00 0.00 O ATOM 51 OD2 ASP A 12 83.492 -8.016 12.099 1.00 0.00 O ATOM 0 H ASP A 12 81.286 -4.185 13.660 1.00 0.00 H new ATOM 0 HA ASP A 12 84.122 -4.667 13.695 1.00 0.00 H new ATOM 0 HB2 ASP A 12 82.019 -6.201 13.117 1.00 0.00 H new ATOM 0 HB3 ASP A 12 82.205 -5.509 11.518 1.00 0.00 H new ATOM 56 N THR A 13 84.904 -3.323 11.777 1.00 0.00 N ATOM 57 CA THR A 13 85.460 -2.644 10.654 1.00 0.00 C ATOM 58 C THR A 13 85.988 -3.697 9.702 1.00 0.00 C ATOM 59 O THR A 13 86.932 -4.425 10.019 1.00 0.00 O ATOM 60 CB THR A 13 86.596 -1.693 11.086 1.00 0.00 C ATOM 61 OG1 THR A 13 87.412 -2.320 12.100 1.00 0.00 O ATOM 62 CG2 THR A 13 86.058 -0.371 11.591 1.00 0.00 C ATOM 0 H THR A 13 85.598 -3.617 12.464 1.00 0.00 H new ATOM 0 HA THR A 13 84.697 -2.034 10.171 1.00 0.00 H new ATOM 0 HB THR A 13 87.208 -1.487 10.208 1.00 0.00 H new ATOM 0 HG1 THR A 13 87.603 -3.245 11.840 1.00 0.00 H new ATOM 0 HG21 THR A 13 86.888 0.271 11.886 1.00 0.00 H new ATOM 0 HG22 THR A 13 85.486 0.115 10.800 1.00 0.00 H new ATOM 0 HG23 THR A 13 85.412 -0.546 12.451 1.00 0.00 H new ATOM 70 N PHE A 14 85.413 -3.797 8.563 1.00 0.00 N ATOM 71 CA PHE A 14 85.772 -4.843 7.680 1.00 0.00 C ATOM 72 C PHE A 14 86.526 -4.330 6.480 1.00 0.00 C ATOM 73 O PHE A 14 85.991 -3.593 5.644 1.00 0.00 O ATOM 74 CB PHE A 14 84.555 -5.727 7.296 1.00 0.00 C ATOM 75 CG PHE A 14 83.418 -5.023 6.592 1.00 0.00 C ATOM 76 CD1 PHE A 14 82.552 -4.191 7.289 1.00 0.00 C ATOM 77 CD2 PHE A 14 83.210 -5.215 5.236 1.00 0.00 C ATOM 78 CE1 PHE A 14 81.511 -3.561 6.645 1.00 0.00 C ATOM 79 CE2 PHE A 14 82.170 -4.587 4.587 1.00 0.00 C ATOM 80 CZ PHE A 14 81.319 -3.761 5.292 1.00 0.00 C ATOM 0 H PHE A 14 84.690 -3.166 8.218 1.00 0.00 H new ATOM 0 HA PHE A 14 86.460 -5.496 8.217 1.00 0.00 H new ATOM 0 HB2 PHE A 14 84.907 -6.536 6.656 1.00 0.00 H new ATOM 0 HB3 PHE A 14 84.164 -6.186 8.204 1.00 0.00 H new ATOM 0 HD1 PHE A 14 82.697 -4.036 8.348 1.00 0.00 H new ATOM 0 HD2 PHE A 14 83.871 -5.865 4.681 1.00 0.00 H new ATOM 0 HE1 PHE A 14 80.846 -2.912 7.196 1.00 0.00 H new ATOM 0 HE2 PHE A 14 82.021 -4.741 3.528 1.00 0.00 H new ATOM 0 HZ PHE A 14 80.501 -3.270 4.785 1.00 0.00 H new ATOM 90 N GLU A 15 87.804 -4.608 6.476 1.00 0.00 N ATOM 91 CA GLU A 15 88.626 -4.368 5.324 1.00 0.00 C ATOM 92 C GLU A 15 88.142 -5.301 4.228 1.00 0.00 C ATOM 93 O GLU A 15 88.200 -6.523 4.365 1.00 0.00 O ATOM 94 CB GLU A 15 90.078 -4.633 5.665 1.00 0.00 C ATOM 95 CG GLU A 15 90.640 -3.687 6.709 1.00 0.00 C ATOM 96 CD GLU A 15 91.972 -4.150 7.213 1.00 0.00 C ATOM 97 OE1 GLU A 15 92.980 -4.047 6.478 1.00 0.00 O ATOM 98 OE2 GLU A 15 92.037 -4.676 8.338 1.00 0.00 O ATOM 0 H GLU A 15 88.302 -5.007 7.272 1.00 0.00 H new ATOM 0 HA GLU A 15 88.553 -3.332 4.993 1.00 0.00 H new ATOM 0 HB2 GLU A 15 90.177 -5.657 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 15 90.676 -4.555 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 15 90.739 -2.689 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 15 89.942 -3.608 7.543 1.00 0.00 H new ATOM 105 N VAL A 16 87.648 -4.733 3.191 1.00 0.00 N ATOM 106 CA VAL A 16 87.001 -5.480 2.167 1.00 0.00 C ATOM 107 C VAL A 16 87.818 -5.489 0.881 1.00 0.00 C ATOM 108 O VAL A 16 88.418 -4.480 0.505 1.00 0.00 O ATOM 109 CB VAL A 16 85.544 -4.961 1.923 1.00 0.00 C ATOM 110 CG1 VAL A 16 85.517 -3.547 1.382 1.00 0.00 C ATOM 111 CG2 VAL A 16 84.762 -5.895 1.030 1.00 0.00 C ATOM 0 H VAL A 16 87.679 -3.727 3.023 1.00 0.00 H new ATOM 0 HA VAL A 16 86.928 -6.513 2.507 1.00 0.00 H new ATOM 0 HB VAL A 16 85.058 -4.941 2.898 1.00 0.00 H new ATOM 0 HG11 VAL A 16 84.484 -3.235 1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 16 85.998 -2.876 2.094 1.00 0.00 H new ATOM 0 HG13 VAL A 16 86.050 -3.511 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 16 83.756 -5.501 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 16 85.262 -5.980 0.065 1.00 0.00 H new ATOM 0 HG23 VAL A 16 84.702 -6.879 1.496 1.00 0.00 H new ATOM 121 N GLU A 17 87.893 -6.639 0.265 1.00 0.00 N ATOM 122 CA GLU A 17 88.531 -6.782 -1.018 1.00 0.00 C ATOM 123 C GLU A 17 87.414 -6.977 -1.999 1.00 0.00 C ATOM 124 O GLU A 17 86.649 -7.932 -1.863 1.00 0.00 O ATOM 125 CB GLU A 17 89.443 -8.032 -1.119 1.00 0.00 C ATOM 126 CG GLU A 17 90.375 -8.318 0.048 1.00 0.00 C ATOM 127 CD GLU A 17 89.657 -8.960 1.213 1.00 0.00 C ATOM 128 OE1 GLU A 17 89.264 -10.137 1.105 1.00 0.00 O ATOM 129 OE2 GLU A 17 89.472 -8.305 2.256 1.00 0.00 O ATOM 0 H GLU A 17 87.512 -7.507 0.640 1.00 0.00 H new ATOM 0 HA GLU A 17 89.157 -5.908 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 17 88.804 -8.904 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 17 90.051 -7.933 -2.018 1.00 0.00 H new ATOM 0 HG2 GLU A 17 91.180 -8.973 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 17 90.837 -7.387 0.377 1.00 0.00 H new ATOM 136 N LEU A 18 87.257 -6.099 -2.921 1.00 0.00 N ATOM 137 CA LEU A 18 86.218 -6.286 -3.870 1.00 0.00 C ATOM 138 C LEU A 18 86.828 -6.421 -5.245 1.00 0.00 C ATOM 139 O LEU A 18 87.568 -5.548 -5.701 1.00 0.00 O ATOM 140 CB LEU A 18 85.157 -5.155 -3.793 1.00 0.00 C ATOM 141 CG LEU A 18 83.734 -5.510 -4.334 1.00 0.00 C ATOM 142 CD1 LEU A 18 83.740 -5.728 -5.816 1.00 0.00 C ATOM 143 CD2 LEU A 18 83.202 -6.758 -3.622 1.00 0.00 C ATOM 0 H LEU A 18 87.822 -5.258 -3.040 1.00 0.00 H new ATOM 0 HA LEU A 18 85.679 -7.205 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 18 85.061 -4.845 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 18 85.531 -4.295 -4.349 1.00 0.00 H new ATOM 0 HG LEU A 18 83.079 -4.663 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 18 82.732 -5.972 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 18 84.079 -4.821 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 18 84.413 -6.550 -6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 18 82.210 -7.000 -4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 18 83.875 -7.596 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 18 83.142 -6.568 -2.550 1.00 0.00 H new ATOM 155 N ALA A 19 86.518 -7.505 -5.886 1.00 0.00 N ATOM 156 CA ALA A 19 87.011 -7.788 -7.195 1.00 0.00 C ATOM 157 C ALA A 19 85.958 -7.387 -8.196 1.00 0.00 C ATOM 158 O ALA A 19 84.817 -7.879 -8.148 1.00 0.00 O ATOM 159 CB ALA A 19 87.342 -9.262 -7.339 1.00 0.00 C ATOM 0 H ALA A 19 85.906 -8.228 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 19 87.928 -7.225 -7.371 1.00 0.00 H new ATOM 0 HB1 ALA A 19 87.716 -9.454 -8.345 1.00 0.00 H new ATOM 0 HB2 ALA A 19 88.104 -9.537 -6.610 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.444 -9.855 -7.166 1.00 0.00 H new ATOM 165 N LYS A 20 86.314 -6.467 -9.053 1.00 0.00 N ATOM 166 CA LYS A 20 85.419 -5.975 -10.087 1.00 0.00 C ATOM 167 C LYS A 20 84.974 -7.093 -11.013 1.00 0.00 C ATOM 168 O LYS A 20 85.794 -7.898 -11.475 1.00 0.00 O ATOM 169 CB LYS A 20 86.070 -4.837 -10.872 1.00 0.00 C ATOM 170 CG LYS A 20 86.295 -3.604 -10.026 1.00 0.00 C ATOM 171 CD LYS A 20 87.010 -2.502 -10.770 1.00 0.00 C ATOM 172 CE LYS A 20 87.130 -1.279 -9.884 1.00 0.00 C ATOM 173 NZ LYS A 20 87.942 -0.208 -10.503 1.00 0.00 N ATOM 0 H LYS A 20 87.236 -6.031 -9.060 1.00 0.00 H new ATOM 0 HA LYS A 20 84.528 -5.582 -9.597 1.00 0.00 H new ATOM 0 HB2 LYS A 20 87.024 -5.177 -11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 20 85.439 -4.580 -11.723 1.00 0.00 H new ATOM 0 HG2 LYS A 20 85.333 -3.232 -9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 20 86.875 -3.876 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 20 88.000 -2.840 -11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 20 86.464 -2.251 -11.680 1.00 0.00 H new ATOM 0 HE2 LYS A 20 86.134 -0.894 -9.664 1.00 0.00 H new ATOM 0 HE3 LYS A 20 87.578 -1.566 -8.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 87.896 0.647 -9.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 88.930 -0.522 -10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 87.571 0.005 -11.451 1.00 0.00 H new ATOM 187 N THR A 21 83.676 -7.147 -11.260 1.00 0.00 N ATOM 188 CA THR A 21 83.102 -8.165 -12.098 1.00 0.00 C ATOM 189 C THR A 21 83.580 -7.995 -13.543 1.00 0.00 C ATOM 190 O THR A 21 84.252 -8.868 -14.090 1.00 0.00 O ATOM 191 CB THR A 21 81.522 -8.193 -11.983 1.00 0.00 C ATOM 192 OG1 THR A 21 80.937 -9.098 -12.927 1.00 0.00 O ATOM 193 CG2 THR A 21 80.892 -6.804 -12.132 1.00 0.00 C ATOM 0 H THR A 21 82.999 -6.484 -10.882 1.00 0.00 H new ATOM 0 HA THR A 21 83.449 -9.137 -11.748 1.00 0.00 H new ATOM 0 HB THR A 21 81.306 -8.548 -10.975 1.00 0.00 H new ATOM 0 HG1 THR A 21 80.847 -8.652 -13.795 1.00 0.00 H new ATOM 0 HG21 THR A 21 79.809 -6.885 -12.045 1.00 0.00 H new ATOM 0 HG22 THR A 21 81.271 -6.147 -11.350 1.00 0.00 H new ATOM 0 HG23 THR A 21 81.148 -6.391 -13.108 1.00 0.00 H new ATOM 201 N ASP A 22 83.314 -6.835 -14.101 1.00 0.00 N ATOM 202 CA ASP A 22 83.655 -6.513 -15.471 1.00 0.00 C ATOM 203 C ASP A 22 83.421 -5.037 -15.681 1.00 0.00 C ATOM 204 O ASP A 22 84.314 -4.301 -16.107 1.00 0.00 O ATOM 205 CB ASP A 22 82.847 -7.378 -16.494 1.00 0.00 C ATOM 206 CG ASP A 22 81.333 -7.232 -16.394 1.00 0.00 C ATOM 207 OD1 ASP A 22 80.713 -7.838 -15.465 1.00 0.00 O ATOM 208 OD2 ASP A 22 80.738 -6.528 -17.232 1.00 0.00 O ATOM 0 H ASP A 22 82.846 -6.075 -13.608 1.00 0.00 H new ATOM 0 HA ASP A 22 84.705 -6.748 -15.648 1.00 0.00 H new ATOM 0 HB2 ASP A 22 83.159 -7.109 -17.503 1.00 0.00 H new ATOM 0 HB3 ASP A 22 83.108 -8.426 -16.349 1.00 0.00 H new ATOM 213 N GLY A 23 82.248 -4.587 -15.296 1.00 0.00 N ATOM 214 CA GLY A 23 81.901 -3.196 -15.407 1.00 0.00 C ATOM 215 C GLY A 23 82.215 -2.443 -14.147 1.00 0.00 C ATOM 216 O GLY A 23 81.354 -1.759 -13.599 1.00 0.00 O ATOM 0 H GLY A 23 81.514 -5.174 -14.900 1.00 0.00 H new ATOM 0 HA2 GLY A 23 82.443 -2.751 -16.241 1.00 0.00 H new ATOM 0 HA3 GLY A 23 80.838 -3.103 -15.631 1.00 0.00 H new ATOM 220 N SER A 24 83.445 -2.615 -13.667 1.00 0.00 N ATOM 221 CA SER A 24 83.951 -1.973 -12.485 1.00 0.00 C ATOM 222 C SER A 24 83.253 -2.526 -11.221 1.00 0.00 C ATOM 223 O SER A 24 82.737 -3.669 -11.231 1.00 0.00 O ATOM 224 CB SER A 24 83.853 -0.446 -12.617 1.00 0.00 C ATOM 225 OG SER A 24 84.518 0.216 -11.541 1.00 0.00 O ATOM 0 H SER A 24 84.128 -3.227 -14.114 1.00 0.00 H new ATOM 0 HA SER A 24 85.010 -2.205 -12.374 1.00 0.00 H new ATOM 0 HB2 SER A 24 84.291 -0.133 -13.565 1.00 0.00 H new ATOM 0 HB3 SER A 24 82.805 -0.148 -12.637 1.00 0.00 H new ATOM 0 HG SER A 24 84.439 1.186 -11.655 1.00 0.00 H new ATOM 231 N LEU A 25 83.312 -1.772 -10.136 1.00 0.00 N ATOM 232 CA LEU A 25 82.742 -2.173 -8.876 1.00 0.00 C ATOM 233 C LEU A 25 81.252 -2.264 -8.968 1.00 0.00 C ATOM 234 O LEU A 25 80.601 -1.439 -9.606 1.00 0.00 O ATOM 235 CB LEU A 25 83.132 -1.218 -7.740 1.00 0.00 C ATOM 236 CG LEU A 25 84.601 -1.209 -7.328 1.00 0.00 C ATOM 237 CD1 LEU A 25 84.831 -0.190 -6.239 1.00 0.00 C ATOM 238 CD2 LEU A 25 85.027 -2.581 -6.844 1.00 0.00 C ATOM 0 H LEU A 25 83.763 -0.857 -10.113 1.00 0.00 H new ATOM 0 HA LEU A 25 83.148 -3.158 -8.646 1.00 0.00 H new ATOM 0 HB2 LEU A 25 82.855 -0.206 -8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 25 82.534 -1.469 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 25 85.199 -0.943 -8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 25 85.883 -0.193 -5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 25 84.557 0.800 -6.603 1.00 0.00 H new ATOM 0 HD13 LEU A 25 84.219 -0.440 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 25 86.078 -2.555 -6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 25 84.421 -2.868 -5.985 1.00 0.00 H new ATOM 0 HD23 LEU A 25 84.889 -3.308 -7.644 1.00 0.00 H new ATOM 250 N GLY A 26 80.720 -3.243 -8.306 1.00 0.00 N ATOM 251 CA GLY A 26 79.309 -3.469 -8.310 1.00 0.00 C ATOM 252 C GLY A 26 78.645 -2.777 -7.166 1.00 0.00 C ATOM 253 O GLY A 26 77.677 -3.271 -6.613 1.00 0.00 O ATOM 0 H GLY A 26 81.253 -3.909 -7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 26 78.884 -3.113 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 26 79.110 -4.539 -8.255 1.00 0.00 H new ATOM 257 N ILE A 27 79.173 -1.643 -6.785 1.00 0.00 N ATOM 258 CA ILE A 27 78.592 -0.858 -5.742 1.00 0.00 C ATOM 259 C ILE A 27 78.560 0.547 -6.130 1.00 0.00 C ATOM 260 O ILE A 27 79.518 1.077 -6.696 1.00 0.00 O ATOM 261 CB ILE A 27 79.250 -0.993 -4.342 1.00 0.00 C ATOM 262 CG1 ILE A 27 80.738 -0.628 -4.312 1.00 0.00 C ATOM 263 CG2 ILE A 27 79.046 -2.350 -3.817 1.00 0.00 C ATOM 264 CD1 ILE A 27 81.353 -0.836 -2.935 1.00 0.00 C ATOM 0 H ILE A 27 80.018 -1.243 -7.193 1.00 0.00 H new ATOM 0 HA ILE A 27 77.588 -1.265 -5.625 1.00 0.00 H new ATOM 0 HB ILE A 27 78.752 -0.264 -3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 27 81.274 -1.234 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 27 80.861 0.413 -4.610 1.00 0.00 H new ATOM 0 HG21 ILE A 27 79.511 -2.434 -2.835 1.00 0.00 H new ATOM 0 HG22 ILE A 27 77.978 -2.550 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 27 79.497 -3.074 -4.495 1.00 0.00 H new ATOM 0 HD11 ILE A 27 82.408 -0.564 -2.963 1.00 0.00 H new ATOM 0 HD12 ILE A 27 80.836 -0.210 -2.207 1.00 0.00 H new ATOM 0 HD13 ILE A 27 81.255 -1.883 -2.647 1.00 0.00 H new ATOM 276 N SER A 28 77.474 1.135 -5.886 1.00 0.00 N ATOM 277 CA SER A 28 77.295 2.491 -6.149 1.00 0.00 C ATOM 278 C SER A 28 77.412 3.195 -4.822 1.00 0.00 C ATOM 279 O SER A 28 76.522 3.104 -3.987 1.00 0.00 O ATOM 280 CB SER A 28 75.917 2.707 -6.787 1.00 0.00 C ATOM 281 OG SER A 28 75.751 4.038 -7.264 1.00 0.00 O ATOM 0 H SER A 28 76.657 0.674 -5.485 1.00 0.00 H new ATOM 0 HA SER A 28 78.035 2.882 -6.848 1.00 0.00 H new ATOM 0 HB2 SER A 28 75.786 2.007 -7.613 1.00 0.00 H new ATOM 0 HB3 SER A 28 75.140 2.485 -6.055 1.00 0.00 H new ATOM 0 HG SER A 28 74.862 4.134 -7.664 1.00 0.00 H new ATOM 287 N VAL A 29 78.534 3.791 -4.588 1.00 0.00 N ATOM 288 CA VAL A 29 78.761 4.506 -3.362 1.00 0.00 C ATOM 289 C VAL A 29 78.381 5.948 -3.567 1.00 0.00 C ATOM 290 O VAL A 29 78.281 6.391 -4.706 1.00 0.00 O ATOM 291 CB VAL A 29 80.235 4.395 -2.870 1.00 0.00 C ATOM 292 CG1 VAL A 29 80.579 2.958 -2.524 1.00 0.00 C ATOM 293 CG2 VAL A 29 81.212 4.939 -3.909 1.00 0.00 C ATOM 0 H VAL A 29 79.322 3.800 -5.236 1.00 0.00 H new ATOM 0 HA VAL A 29 78.143 4.057 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 29 80.328 5.003 -1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 29 81.613 2.903 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 29 79.917 2.606 -1.733 1.00 0.00 H new ATOM 0 HG13 VAL A 29 80.455 2.331 -3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 29 82.231 4.846 -3.534 1.00 0.00 H new ATOM 0 HG22 VAL A 29 81.113 4.371 -4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 29 80.991 5.989 -4.102 1.00 0.00 H new ATOM 303 N THR A 30 78.130 6.645 -2.510 1.00 0.00 N ATOM 304 CA THR A 30 77.782 8.014 -2.560 1.00 0.00 C ATOM 305 C THR A 30 78.493 8.668 -1.390 1.00 0.00 C ATOM 306 O THR A 30 79.077 7.961 -0.539 1.00 0.00 O ATOM 307 CB THR A 30 76.225 8.212 -2.468 1.00 0.00 C ATOM 308 OG1 THR A 30 75.860 9.574 -2.776 1.00 0.00 O ATOM 309 CG2 THR A 30 75.695 7.846 -1.078 1.00 0.00 C ATOM 0 H THR A 30 78.164 6.262 -1.565 1.00 0.00 H new ATOM 0 HA THR A 30 78.083 8.464 -3.506 1.00 0.00 H new ATOM 0 HB THR A 30 75.773 7.544 -3.201 1.00 0.00 H new ATOM 0 HG1 THR A 30 74.887 9.674 -2.714 1.00 0.00 H new ATOM 0 HG21 THR A 30 74.616 7.995 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 30 75.923 6.802 -0.865 1.00 0.00 H new ATOM 0 HG23 THR A 30 76.169 8.481 -0.329 1.00 0.00 H new ATOM 317 N VAL A 31 78.453 9.951 -1.315 1.00 0.00 N ATOM 318 CA VAL A 31 79.171 10.642 -0.300 1.00 0.00 C ATOM 319 C VAL A 31 78.236 11.324 0.687 1.00 0.00 C ATOM 320 O VAL A 31 77.198 11.888 0.302 1.00 0.00 O ATOM 321 CB VAL A 31 80.139 11.682 -0.925 1.00 0.00 C ATOM 322 CG1 VAL A 31 79.386 12.738 -1.727 1.00 0.00 C ATOM 323 CG2 VAL A 31 81.020 12.315 0.132 1.00 0.00 C ATOM 0 H VAL A 31 77.926 10.550 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 31 79.752 9.900 0.248 1.00 0.00 H new ATOM 0 HB VAL A 31 80.787 11.149 -1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 31 80.096 13.449 -2.150 1.00 0.00 H new ATOM 0 HG12 VAL A 31 78.832 12.256 -2.533 1.00 0.00 H new ATOM 0 HG13 VAL A 31 78.691 13.265 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 31 81.687 13.039 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 31 80.397 12.820 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 31 81.611 11.542 0.624 1.00 0.00 H new ATOM 333 N LEU A 32 78.559 11.212 1.943 1.00 0.00 N ATOM 334 CA LEU A 32 77.907 11.961 2.961 1.00 0.00 C ATOM 335 C LEU A 32 78.917 12.867 3.619 1.00 0.00 C ATOM 336 O LEU A 32 79.563 12.527 4.615 1.00 0.00 O ATOM 337 CB LEU A 32 77.166 11.115 4.002 1.00 0.00 C ATOM 338 CG LEU A 32 75.812 10.470 3.595 1.00 0.00 C ATOM 339 CD1 LEU A 32 74.814 11.525 3.147 1.00 0.00 C ATOM 340 CD2 LEU A 32 75.974 9.391 2.529 1.00 0.00 C ATOM 0 H LEU A 32 79.291 10.590 2.286 1.00 0.00 H new ATOM 0 HA LEU A 32 77.123 12.542 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 32 77.835 10.314 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 32 76.987 11.743 4.875 1.00 0.00 H new ATOM 0 HG LEU A 32 75.421 9.980 4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 32 73.876 11.044 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 32 74.634 12.225 3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 32 75.215 12.063 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 74.998 8.974 2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 32 76.419 9.827 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 32 76.621 8.600 2.908 1.00 0.00 H new ATOM 352 N PHE A 33 79.116 13.961 2.986 1.00 0.00 N ATOM 353 CA PHE A 33 79.989 14.984 3.436 1.00 0.00 C ATOM 354 C PHE A 33 79.158 16.203 3.670 1.00 0.00 C ATOM 355 O PHE A 33 78.752 16.891 2.728 1.00 0.00 O ATOM 356 CB PHE A 33 81.127 15.258 2.435 1.00 0.00 C ATOM 357 CG PHE A 33 82.032 16.399 2.838 1.00 0.00 C ATOM 358 CD1 PHE A 33 82.760 16.346 4.015 1.00 0.00 C ATOM 359 CD2 PHE A 33 82.133 17.532 2.045 1.00 0.00 C ATOM 360 CE1 PHE A 33 83.575 17.395 4.391 1.00 0.00 C ATOM 361 CE2 PHE A 33 82.946 18.586 2.416 1.00 0.00 C ATOM 362 CZ PHE A 33 83.668 18.516 3.591 1.00 0.00 C ATOM 0 H PHE A 33 78.657 14.180 2.102 1.00 0.00 H new ATOM 0 HA PHE A 33 80.481 14.674 4.358 1.00 0.00 H new ATOM 0 HB2 PHE A 33 81.726 14.354 2.323 1.00 0.00 H new ATOM 0 HB3 PHE A 33 80.695 15.477 1.459 1.00 0.00 H new ATOM 0 HD1 PHE A 33 82.689 15.473 4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 33 81.569 17.591 1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 33 84.139 17.339 5.310 1.00 0.00 H new ATOM 0 HE2 PHE A 33 83.017 19.462 1.789 1.00 0.00 H new ATOM 0 HZ PHE A 33 84.305 19.338 3.884 1.00 0.00 H new ATOM 372 N ASP A 34 78.862 16.432 4.896 1.00 0.00 N ATOM 373 CA ASP A 34 77.984 17.487 5.285 1.00 0.00 C ATOM 374 C ASP A 34 78.507 18.063 6.572 1.00 0.00 C ATOM 375 O ASP A 34 79.071 17.328 7.385 1.00 0.00 O ATOM 376 CB ASP A 34 76.583 16.904 5.488 1.00 0.00 C ATOM 377 CG ASP A 34 75.550 17.933 5.818 1.00 0.00 C ATOM 378 OD1 ASP A 34 75.562 18.465 6.922 1.00 0.00 O ATOM 379 OD2 ASP A 34 74.687 18.209 4.965 1.00 0.00 O ATOM 0 H ASP A 34 79.226 15.885 5.676 1.00 0.00 H new ATOM 0 HA ASP A 34 77.933 18.268 4.527 1.00 0.00 H new ATOM 0 HB2 ASP A 34 76.283 16.377 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 34 76.618 16.166 6.289 1.00 0.00 H new ATOM 384 N LYS A 35 78.383 19.356 6.741 1.00 0.00 N ATOM 385 CA LYS A 35 78.870 20.007 7.940 1.00 0.00 C ATOM 386 C LYS A 35 77.823 20.976 8.474 1.00 0.00 C ATOM 387 O LYS A 35 78.120 21.816 9.333 1.00 0.00 O ATOM 388 CB LYS A 35 80.180 20.771 7.644 1.00 0.00 C ATOM 389 CG LYS A 35 81.302 19.908 7.064 1.00 0.00 C ATOM 390 CD LYS A 35 82.606 20.676 6.939 1.00 0.00 C ATOM 391 CE LYS A 35 83.144 21.086 8.304 1.00 0.00 C ATOM 392 NZ LYS A 35 84.414 21.825 8.193 1.00 0.00 N ATOM 0 H LYS A 35 77.948 19.983 6.064 1.00 0.00 H new ATOM 0 HA LYS A 35 79.067 19.242 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 35 79.964 21.580 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 35 80.533 21.232 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 35 81.455 19.036 7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 35 81.004 19.538 6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 35 83.344 20.060 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 35 82.450 21.564 6.326 1.00 0.00 H new ATOM 0 HE2 LYS A 35 82.406 21.706 8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 35 83.293 20.198 8.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 84.748 22.086 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 85.125 21.225 7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 84.266 22.686 7.629 1.00 0.00 H new ATOM 406 N GLY A 36 76.598 20.836 8.009 1.00 0.00 N ATOM 407 CA GLY A 36 75.568 21.785 8.383 1.00 0.00 C ATOM 408 C GLY A 36 74.283 21.126 8.815 1.00 0.00 C ATOM 409 O GLY A 36 73.602 21.613 9.719 1.00 0.00 O ATOM 0 H GLY A 36 76.294 20.090 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 36 75.938 22.412 9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 36 75.365 22.443 7.538 1.00 0.00 H new ATOM 413 N GLY A 37 73.953 20.031 8.192 1.00 0.00 N ATOM 414 CA GLY A 37 72.750 19.324 8.504 1.00 0.00 C ATOM 415 C GLY A 37 73.029 18.207 9.467 1.00 0.00 C ATOM 416 O GLY A 37 72.254 17.974 10.402 1.00 0.00 O ATOM 0 H GLY A 37 74.513 19.605 7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 37 72.020 20.009 8.935 1.00 0.00 H new ATOM 0 HA3 GLY A 37 72.310 18.923 7.591 1.00 0.00 H new ATOM 420 N VAL A 38 74.138 17.523 9.269 1.00 0.00 N ATOM 421 CA VAL A 38 74.513 16.450 10.163 1.00 0.00 C ATOM 422 C VAL A 38 75.267 16.995 11.379 1.00 0.00 C ATOM 423 O VAL A 38 76.494 17.167 11.384 1.00 0.00 O ATOM 424 CB VAL A 38 75.262 15.263 9.461 1.00 0.00 C ATOM 425 CG1 VAL A 38 74.350 14.589 8.449 1.00 0.00 C ATOM 426 CG2 VAL A 38 76.547 15.704 8.781 1.00 0.00 C ATOM 0 H VAL A 38 74.790 17.690 8.503 1.00 0.00 H new ATOM 0 HA VAL A 38 73.584 16.003 10.518 1.00 0.00 H new ATOM 0 HB VAL A 38 75.534 14.554 10.243 1.00 0.00 H new ATOM 0 HG11 VAL A 38 74.883 13.768 7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 38 73.467 14.202 8.957 1.00 0.00 H new ATOM 0 HG13 VAL A 38 74.046 15.314 7.694 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.024 14.844 8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.319 16.451 8.021 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.222 16.134 9.522 1.00 0.00 H new ATOM 436 N ASN A 39 74.504 17.323 12.386 1.00 0.00 N ATOM 437 CA ASN A 39 75.027 17.927 13.593 1.00 0.00 C ATOM 438 C ASN A 39 74.814 16.989 14.732 1.00 0.00 C ATOM 439 O ASN A 39 75.767 16.605 15.422 1.00 0.00 O ATOM 440 CB ASN A 39 74.326 19.263 13.887 1.00 0.00 C ATOM 441 CG ASN A 39 74.508 20.289 12.793 1.00 0.00 C ATOM 442 OD1 ASN A 39 75.535 20.332 12.129 1.00 0.00 O ATOM 443 ND2 ASN A 39 73.514 21.110 12.589 1.00 0.00 N ATOM 0 H ASN A 39 73.494 17.180 12.397 1.00 0.00 H new ATOM 0 HA ASN A 39 76.091 18.123 13.459 1.00 0.00 H new ATOM 0 HB2 ASN A 39 73.261 19.082 14.032 1.00 0.00 H new ATOM 0 HB3 ASN A 39 74.710 19.668 14.823 1.00 0.00 H new ATOM 0 HD21 ASN A 39 73.578 21.817 11.856 1.00 0.00 H new ATOM 0 HD22 ASN A 39 72.673 21.045 13.162 1.00 0.00 H new ATOM 450 N THR A 40 73.565 16.614 14.935 1.00 0.00 N ATOM 451 CA THR A 40 73.216 15.663 15.957 1.00 0.00 C ATOM 452 C THR A 40 73.481 14.260 15.446 1.00 0.00 C ATOM 453 O THR A 40 73.896 13.375 16.194 1.00 0.00 O ATOM 454 CB THR A 40 71.745 15.823 16.399 1.00 0.00 C ATOM 455 OG1 THR A 40 70.883 15.906 15.247 1.00 0.00 O ATOM 456 CG2 THR A 40 71.570 17.067 17.248 1.00 0.00 C ATOM 0 H THR A 40 72.772 16.962 14.396 1.00 0.00 H new ATOM 0 HA THR A 40 73.834 15.848 16.836 1.00 0.00 H new ATOM 0 HB THR A 40 71.475 14.949 16.992 1.00 0.00 H new ATOM 0 HG1 THR A 40 69.953 16.005 15.541 1.00 0.00 H new ATOM 0 HG21 THR A 40 70.526 17.159 17.548 1.00 0.00 H new ATOM 0 HG22 THR A 40 72.197 16.992 18.136 1.00 0.00 H new ATOM 0 HG23 THR A 40 71.861 17.945 16.671 1.00 0.00 H new ATOM 464 N SER A 41 73.244 14.072 14.169 1.00 0.00 N ATOM 465 CA SER A 41 73.552 12.848 13.509 1.00 0.00 C ATOM 466 C SER A 41 74.987 12.966 13.042 1.00 0.00 C ATOM 467 O SER A 41 75.275 13.725 12.120 1.00 0.00 O ATOM 468 CB SER A 41 72.614 12.678 12.318 1.00 0.00 C ATOM 469 OG SER A 41 71.254 12.880 12.715 1.00 0.00 O ATOM 0 H SER A 41 72.827 14.778 13.562 1.00 0.00 H new ATOM 0 HA SER A 41 73.430 11.985 14.163 1.00 0.00 H new ATOM 0 HB2 SER A 41 72.879 13.388 11.535 1.00 0.00 H new ATOM 0 HB3 SER A 41 72.731 11.680 11.896 1.00 0.00 H new ATOM 0 HG SER A 41 70.667 12.769 11.938 1.00 0.00 H new ATOM 475 N VAL A 42 75.888 12.288 13.698 1.00 0.00 N ATOM 476 CA VAL A 42 77.267 12.436 13.387 1.00 0.00 C ATOM 477 C VAL A 42 77.717 11.457 12.320 1.00 0.00 C ATOM 478 O VAL A 42 77.352 10.282 12.339 1.00 0.00 O ATOM 479 CB VAL A 42 78.151 12.343 14.649 1.00 0.00 C ATOM 480 CG1 VAL A 42 77.810 13.471 15.606 1.00 0.00 C ATOM 481 CG2 VAL A 42 78.007 10.999 15.349 1.00 0.00 C ATOM 0 H VAL A 42 75.684 11.630 14.450 1.00 0.00 H new ATOM 0 HA VAL A 42 77.392 13.438 12.976 1.00 0.00 H new ATOM 0 HB VAL A 42 79.190 12.436 14.331 1.00 0.00 H new ATOM 0 HG11 VAL A 42 78.438 13.398 16.494 1.00 0.00 H new ATOM 0 HG12 VAL A 42 77.984 14.429 15.116 1.00 0.00 H new ATOM 0 HG13 VAL A 42 76.762 13.397 15.896 1.00 0.00 H new ATOM 0 HG21 VAL A 42 78.647 10.978 16.231 1.00 0.00 H new ATOM 0 HG22 VAL A 42 76.969 10.855 15.650 1.00 0.00 H new ATOM 0 HG23 VAL A 42 78.302 10.201 14.668 1.00 0.00 H new ATOM 491 N ARG A 43 78.451 11.962 11.371 1.00 0.00 N ATOM 492 CA ARG A 43 78.985 11.168 10.287 1.00 0.00 C ATOM 493 C ARG A 43 80.272 10.440 10.701 1.00 0.00 C ATOM 494 O ARG A 43 81.342 11.051 10.837 1.00 0.00 O ATOM 495 CB ARG A 43 79.199 12.036 9.025 1.00 0.00 C ATOM 496 CG ARG A 43 80.003 13.309 9.271 1.00 0.00 C ATOM 497 CD ARG A 43 80.236 14.097 8.003 1.00 0.00 C ATOM 498 NE ARG A 43 80.960 15.349 8.276 1.00 0.00 N ATOM 499 CZ ARG A 43 82.260 15.568 8.023 1.00 0.00 C ATOM 500 NH1 ARG A 43 83.010 14.621 7.475 1.00 0.00 N ATOM 501 NH2 ARG A 43 82.807 16.734 8.331 1.00 0.00 N ATOM 0 H ARG A 43 78.702 12.949 11.322 1.00 0.00 H new ATOM 0 HA ARG A 43 78.252 10.400 10.041 1.00 0.00 H new ATOM 0 HB2 ARG A 43 79.708 11.439 8.269 1.00 0.00 H new ATOM 0 HB3 ARG A 43 78.226 12.307 8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 43 79.477 13.934 9.993 1.00 0.00 H new ATOM 0 HG3 ARG A 43 80.964 13.049 9.715 1.00 0.00 H new ATOM 0 HD2 ARG A 43 80.804 13.493 7.296 1.00 0.00 H new ATOM 0 HD3 ARG A 43 79.279 14.323 7.532 1.00 0.00 H new ATOM 0 HE ARG A 43 80.430 16.114 8.692 1.00 0.00 H new ATOM 0 HH11 ARG A 43 82.600 13.717 7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 43 83.997 14.797 7.287 1.00 0.00 H new ATOM 0 HH21 ARG A 43 82.241 17.466 8.760 1.00 0.00 H new ATOM 0 HH22 ARG A 43 83.795 16.901 8.139 1.00 0.00 H new ATOM 515 N HIS A 44 80.164 9.142 10.921 1.00 0.00 N ATOM 516 CA HIS A 44 81.333 8.338 11.303 1.00 0.00 C ATOM 517 C HIS A 44 82.120 7.947 10.065 1.00 0.00 C ATOM 518 O HIS A 44 83.272 7.544 10.144 1.00 0.00 O ATOM 519 CB HIS A 44 80.940 7.058 12.061 1.00 0.00 C ATOM 520 CG HIS A 44 80.216 7.253 13.361 1.00 0.00 C ATOM 521 ND1 HIS A 44 80.866 7.131 14.572 1.00 0.00 N ATOM 522 CD2 HIS A 44 78.903 7.493 13.584 1.00 0.00 C ATOM 523 CE1 HIS A 44 79.925 7.299 15.498 1.00 0.00 C ATOM 524 NE2 HIS A 44 78.733 7.516 14.940 1.00 0.00 N ATOM 0 H HIS A 44 79.292 8.617 10.845 1.00 0.00 H new ATOM 0 HA HIS A 44 81.939 8.955 11.966 1.00 0.00 H new ATOM 0 HB2 HIS A 44 80.313 6.452 11.407 1.00 0.00 H new ATOM 0 HB3 HIS A 44 81.846 6.484 12.256 1.00 0.00 H new ATOM 0 HD2 HIS A 44 78.138 7.638 12.836 1.00 0.00 H new ATOM 0 HE1 HIS A 44 80.103 7.264 16.563 1.00 0.00 H new ATOM 0 HE2 HIS A 44 77.855 7.671 15.435 1.00 0.00 H new ATOM 532 N GLY A 45 81.483 8.039 8.930 1.00 0.00 N ATOM 533 CA GLY A 45 82.124 7.711 7.695 1.00 0.00 C ATOM 534 C GLY A 45 81.862 8.770 6.691 1.00 0.00 C ATOM 535 O GLY A 45 80.998 9.626 6.915 1.00 0.00 O ATOM 0 H GLY A 45 80.513 8.341 8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 45 83.197 7.603 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 45 81.757 6.752 7.329 1.00 0.00 H new ATOM 539 N GLY A 46 82.589 8.752 5.610 1.00 0.00 N ATOM 540 CA GLY A 46 82.410 9.761 4.601 1.00 0.00 C ATOM 541 C GLY A 46 81.712 9.224 3.390 1.00 0.00 C ATOM 542 O GLY A 46 80.847 9.878 2.811 1.00 0.00 O ATOM 0 H GLY A 46 83.306 8.056 5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 46 81.834 10.589 5.014 1.00 0.00 H new ATOM 0 HA3 GLY A 46 83.382 10.161 4.312 1.00 0.00 H new ATOM 546 N ILE A 47 82.076 8.039 3.007 1.00 0.00 N ATOM 547 CA ILE A 47 81.515 7.412 1.847 1.00 0.00 C ATOM 548 C ILE A 47 80.636 6.271 2.297 1.00 0.00 C ATOM 549 O ILE A 47 80.928 5.622 3.300 1.00 0.00 O ATOM 550 CB ILE A 47 82.647 6.908 0.901 1.00 0.00 C ATOM 551 CG1 ILE A 47 83.521 8.090 0.463 1.00 0.00 C ATOM 552 CG2 ILE A 47 82.092 6.175 -0.320 1.00 0.00 C ATOM 553 CD1 ILE A 47 82.751 9.178 -0.262 1.00 0.00 C ATOM 0 H ILE A 47 82.774 7.475 3.492 1.00 0.00 H new ATOM 0 HA ILE A 47 80.916 8.130 1.287 1.00 0.00 H new ATOM 0 HB ILE A 47 83.252 6.192 1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 47 84.002 8.520 1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 47 84.315 7.723 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 47 82.917 5.842 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 47 81.513 5.311 0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 47 81.450 6.848 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 47 83.433 9.981 -0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 47 82.292 8.763 -1.159 1.00 0.00 H new ATOM 0 HD13 ILE A 47 81.975 9.573 0.393 1.00 0.00 H new ATOM 565 N TYR A 48 79.534 6.083 1.634 1.00 0.00 N ATOM 566 CA TYR A 48 78.627 4.998 1.955 1.00 0.00 C ATOM 567 C TYR A 48 78.160 4.329 0.690 1.00 0.00 C ATOM 568 O TYR A 48 78.068 4.973 -0.351 1.00 0.00 O ATOM 569 CB TYR A 48 77.402 5.511 2.743 1.00 0.00 C ATOM 570 CG TYR A 48 77.706 6.035 4.130 1.00 0.00 C ATOM 571 CD1 TYR A 48 78.098 7.350 4.333 1.00 0.00 C ATOM 572 CD2 TYR A 48 77.601 5.209 5.232 1.00 0.00 C ATOM 573 CE1 TYR A 48 78.376 7.822 5.592 1.00 0.00 C ATOM 574 CE2 TYR A 48 77.876 5.677 6.496 1.00 0.00 C ATOM 575 CZ TYR A 48 78.265 6.981 6.669 1.00 0.00 C ATOM 576 OH TYR A 48 78.553 7.444 7.936 1.00 0.00 O ATOM 0 H TYR A 48 79.230 6.670 0.857 1.00 0.00 H new ATOM 0 HA TYR A 48 79.165 4.282 2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 48 76.925 6.305 2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 48 76.678 4.700 2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 48 78.186 8.014 3.486 1.00 0.00 H new ATOM 0 HD2 TYR A 48 77.299 4.181 5.099 1.00 0.00 H new ATOM 0 HE1 TYR A 48 78.680 8.849 5.733 1.00 0.00 H new ATOM 0 HE2 TYR A 48 77.786 5.020 7.349 1.00 0.00 H new ATOM 0 HH TYR A 48 77.719 7.660 8.403 1.00 0.00 H new ATOM 586 N VAL A 49 77.893 3.045 0.767 1.00 0.00 N ATOM 587 CA VAL A 49 77.330 2.323 -0.345 1.00 0.00 C ATOM 588 C VAL A 49 75.859 2.699 -0.425 1.00 0.00 C ATOM 589 O VAL A 49 75.100 2.477 0.518 1.00 0.00 O ATOM 590 CB VAL A 49 77.467 0.796 -0.159 1.00 0.00 C ATOM 591 CG1 VAL A 49 77.011 0.058 -1.405 1.00 0.00 C ATOM 592 CG2 VAL A 49 78.898 0.422 0.197 1.00 0.00 C ATOM 0 H VAL A 49 78.060 2.477 1.598 1.00 0.00 H new ATOM 0 HA VAL A 49 77.862 2.585 -1.260 1.00 0.00 H new ATOM 0 HB VAL A 49 76.822 0.496 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 49 77.116 -1.016 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 49 75.966 0.295 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 49 77.622 0.365 -2.254 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.971 -0.658 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 49 79.567 0.740 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 49 79.183 0.916 1.126 1.00 0.00 H new ATOM 602 N LYS A 50 75.487 3.303 -1.511 1.00 0.00 N ATOM 603 CA LYS A 50 74.142 3.779 -1.719 1.00 0.00 C ATOM 604 C LYS A 50 73.299 2.684 -2.335 1.00 0.00 C ATOM 605 O LYS A 50 72.108 2.556 -2.032 1.00 0.00 O ATOM 606 CB LYS A 50 74.171 5.008 -2.636 1.00 0.00 C ATOM 607 CG LYS A 50 72.815 5.632 -2.905 1.00 0.00 C ATOM 608 CD LYS A 50 72.940 6.872 -3.773 1.00 0.00 C ATOM 609 CE LYS A 50 71.592 7.529 -3.989 1.00 0.00 C ATOM 610 NZ LYS A 50 71.695 8.758 -4.805 1.00 0.00 N ATOM 0 H LYS A 50 76.115 3.485 -2.294 1.00 0.00 H new ATOM 0 HA LYS A 50 73.703 4.060 -0.762 1.00 0.00 H new ATOM 0 HB2 LYS A 50 74.820 5.762 -2.190 1.00 0.00 H new ATOM 0 HB3 LYS A 50 74.620 4.723 -3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 50 72.169 4.905 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 50 72.339 5.894 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 50 73.622 7.581 -3.303 1.00 0.00 H new ATOM 0 HD3 LYS A 50 73.374 6.603 -4.736 1.00 0.00 H new ATOM 0 HE2 LYS A 50 70.920 6.824 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 50 71.149 7.772 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 70.750 9.174 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 72.315 9.442 -4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 72.093 8.524 -5.737 1.00 0.00 H new ATOM 624 N ALA A 51 73.925 1.878 -3.172 1.00 0.00 N ATOM 625 CA ALA A 51 73.228 0.818 -3.877 1.00 0.00 C ATOM 626 C ALA A 51 74.198 -0.249 -4.355 1.00 0.00 C ATOM 627 O ALA A 51 75.400 0.013 -4.513 1.00 0.00 O ATOM 628 CB ALA A 51 72.452 1.390 -5.060 1.00 0.00 C ATOM 0 H ALA A 51 74.921 1.938 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 51 72.527 0.355 -3.183 1.00 0.00 H new ATOM 0 HB1 ALA A 51 71.934 0.584 -5.580 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.724 2.117 -4.700 1.00 0.00 H new ATOM 0 HB3 ALA A 51 73.143 1.879 -5.746 1.00 0.00 H new ATOM 634 N ILE A 52 73.684 -1.433 -4.577 1.00 0.00 N ATOM 635 CA ILE A 52 74.460 -2.552 -5.065 1.00 0.00 C ATOM 636 C ILE A 52 74.104 -2.777 -6.520 1.00 0.00 C ATOM 637 O ILE A 52 72.933 -2.993 -6.854 1.00 0.00 O ATOM 638 CB ILE A 52 74.172 -3.853 -4.257 1.00 0.00 C ATOM 639 CG1 ILE A 52 74.477 -3.642 -2.774 1.00 0.00 C ATOM 640 CG2 ILE A 52 74.978 -5.030 -4.803 1.00 0.00 C ATOM 641 CD1 ILE A 52 75.904 -3.244 -2.497 1.00 0.00 C ATOM 0 H ILE A 52 72.700 -1.653 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 52 75.519 -2.320 -4.949 1.00 0.00 H new ATOM 0 HB ILE A 52 73.113 -4.088 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 52 73.812 -2.872 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 52 74.254 -4.561 -2.232 1.00 0.00 H new ATOM 0 HG21 ILE A 52 74.757 -5.924 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE A 52 74.711 -5.201 -5.846 1.00 0.00 H new ATOM 0 HG23 ILE A 52 76.042 -4.806 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 52 76.043 -3.113 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 52 76.576 -4.023 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 52 76.127 -2.308 -3.009 1.00 0.00 H new ATOM 653 N ILE A 53 75.077 -2.689 -7.370 1.00 0.00 N ATOM 654 CA ILE A 53 74.886 -2.838 -8.788 1.00 0.00 C ATOM 655 C ILE A 53 74.682 -4.317 -9.160 1.00 0.00 C ATOM 656 O ILE A 53 75.519 -5.169 -8.849 1.00 0.00 O ATOM 657 CB ILE A 53 76.084 -2.225 -9.567 1.00 0.00 C ATOM 658 CG1 ILE A 53 76.261 -0.734 -9.206 1.00 0.00 C ATOM 659 CG2 ILE A 53 75.924 -2.398 -11.064 1.00 0.00 C ATOM 660 CD1 ILE A 53 75.043 0.134 -9.489 1.00 0.00 C ATOM 0 H ILE A 53 76.044 -2.509 -7.100 1.00 0.00 H new ATOM 0 HA ILE A 53 73.984 -2.296 -9.072 1.00 0.00 H new ATOM 0 HB ILE A 53 76.983 -2.765 -9.268 1.00 0.00 H new ATOM 0 HG12 ILE A 53 76.508 -0.657 -8.147 1.00 0.00 H new ATOM 0 HG13 ILE A 53 77.111 -0.337 -9.761 1.00 0.00 H new ATOM 0 HG21 ILE A 53 76.780 -1.957 -11.575 1.00 0.00 H new ATOM 0 HG22 ILE A 53 75.866 -3.460 -11.303 1.00 0.00 H new ATOM 0 HG23 ILE A 53 75.011 -1.902 -11.392 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.257 1.165 -9.205 1.00 0.00 H new ATOM 0 HD12 ILE A 53 74.805 0.092 -10.552 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.193 -0.232 -8.913 1.00 0.00 H new ATOM 672 N PRO A 54 73.552 -4.624 -9.842 1.00 0.00 N ATOM 673 CA PRO A 54 73.167 -6.004 -10.242 1.00 0.00 C ATOM 674 C PRO A 54 74.149 -6.698 -11.202 1.00 0.00 C ATOM 675 O PRO A 54 73.983 -7.884 -11.524 1.00 0.00 O ATOM 676 CB PRO A 54 71.822 -5.813 -10.946 1.00 0.00 C ATOM 677 CG PRO A 54 71.756 -4.368 -11.294 1.00 0.00 C ATOM 678 CD PRO A 54 72.525 -3.645 -10.244 1.00 0.00 C ATOM 0 HA PRO A 54 73.148 -6.651 -9.365 1.00 0.00 H new ATOM 0 HB2 PRO A 54 71.755 -6.435 -11.839 1.00 0.00 H new ATOM 0 HB3 PRO A 54 70.995 -6.098 -10.296 1.00 0.00 H new ATOM 0 HG2 PRO A 54 72.182 -4.187 -12.281 1.00 0.00 H new ATOM 0 HG3 PRO A 54 70.722 -4.023 -11.325 1.00 0.00 H new ATOM 0 HD2 PRO A 54 72.972 -2.729 -10.631 1.00 0.00 H new ATOM 0 HD3 PRO A 54 71.890 -3.360 -9.405 1.00 0.00 H new ATOM 686 N LYS A 55 75.117 -5.960 -11.706 1.00 0.00 N ATOM 687 CA LYS A 55 76.139 -6.527 -12.571 1.00 0.00 C ATOM 688 C LYS A 55 77.013 -7.531 -11.827 1.00 0.00 C ATOM 689 O LYS A 55 77.520 -8.483 -12.424 1.00 0.00 O ATOM 690 CB LYS A 55 76.997 -5.448 -13.266 1.00 0.00 C ATOM 691 CG LYS A 55 76.330 -4.718 -14.452 1.00 0.00 C ATOM 692 CD LYS A 55 75.086 -3.929 -14.060 1.00 0.00 C ATOM 693 CE LYS A 55 74.535 -3.117 -15.224 1.00 0.00 C ATOM 694 NZ LYS A 55 75.486 -2.078 -15.685 1.00 0.00 N ATOM 0 H LYS A 55 75.220 -4.960 -11.532 1.00 0.00 H new ATOM 0 HA LYS A 55 75.609 -7.063 -13.358 1.00 0.00 H new ATOM 0 HB2 LYS A 55 77.285 -4.705 -12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 55 77.915 -5.915 -13.622 1.00 0.00 H new ATOM 0 HG2 LYS A 55 77.053 -4.039 -14.904 1.00 0.00 H new ATOM 0 HG3 LYS A 55 76.061 -5.450 -15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 55 74.319 -4.616 -13.702 1.00 0.00 H new ATOM 0 HD3 LYS A 55 75.326 -3.260 -13.233 1.00 0.00 H new ATOM 0 HE2 LYS A 55 74.301 -3.786 -16.052 1.00 0.00 H new ATOM 0 HE3 LYS A 55 73.600 -2.643 -14.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 74.988 -1.396 -16.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 75.885 -1.583 -14.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 76.254 -2.525 -16.226 1.00 0.00 H new ATOM 708 N GLY A 56 77.163 -7.355 -10.531 1.00 0.00 N ATOM 709 CA GLY A 56 77.935 -8.288 -9.770 1.00 0.00 C ATOM 710 C GLY A 56 78.903 -7.606 -8.854 1.00 0.00 C ATOM 711 O GLY A 56 78.587 -6.558 -8.280 1.00 0.00 O ATOM 0 H GLY A 56 76.763 -6.583 -9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 56 77.266 -8.919 -9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 56 78.480 -8.945 -10.448 1.00 0.00 H new ATOM 715 N ALA A 57 80.042 -8.251 -8.639 1.00 0.00 N ATOM 716 CA ALA A 57 81.142 -7.762 -7.861 1.00 0.00 C ATOM 717 C ALA A 57 80.846 -7.865 -6.386 1.00 0.00 C ATOM 718 O ALA A 57 81.108 -8.893 -5.779 1.00 0.00 O ATOM 719 CB ALA A 57 81.593 -6.387 -8.291 1.00 0.00 C ATOM 0 H ALA A 57 80.220 -9.177 -9.029 1.00 0.00 H new ATOM 0 HA ALA A 57 81.998 -8.408 -8.055 1.00 0.00 H new ATOM 0 HB1 ALA A 57 82.428 -6.067 -7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 57 81.909 -6.417 -9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 57 80.768 -5.683 -8.182 1.00 0.00 H new ATOM 725 N ALA A 58 80.207 -6.869 -5.824 1.00 0.00 N ATOM 726 CA ALA A 58 79.929 -6.896 -4.402 1.00 0.00 C ATOM 727 C ALA A 58 78.749 -7.788 -4.135 1.00 0.00 C ATOM 728 O ALA A 58 78.657 -8.421 -3.068 1.00 0.00 O ATOM 729 CB ALA A 58 79.688 -5.506 -3.864 1.00 0.00 C ATOM 0 H ALA A 58 79.873 -6.040 -6.316 1.00 0.00 H new ATOM 0 HA ALA A 58 80.801 -7.296 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 58 79.482 -5.560 -2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 58 80.573 -4.892 -4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 58 78.835 -5.061 -4.376 1.00 0.00 H new ATOM 735 N GLU A 59 77.872 -7.849 -5.125 1.00 0.00 N ATOM 736 CA GLU A 59 76.683 -8.649 -5.082 1.00 0.00 C ATOM 737 C GLU A 59 77.004 -10.112 -5.369 1.00 0.00 C ATOM 738 O GLU A 59 76.527 -11.002 -4.660 1.00 0.00 O ATOM 739 CB GLU A 59 75.696 -8.149 -6.121 1.00 0.00 C ATOM 740 CG GLU A 59 74.374 -8.877 -6.105 1.00 0.00 C ATOM 741 CD GLU A 59 73.487 -8.454 -7.223 1.00 0.00 C ATOM 742 OE1 GLU A 59 73.671 -8.950 -8.341 1.00 0.00 O ATOM 743 OE2 GLU A 59 72.579 -7.617 -7.006 1.00 0.00 O ATOM 0 H GLU A 59 77.980 -7.328 -5.995 1.00 0.00 H new ATOM 0 HA GLU A 59 76.252 -8.570 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 59 75.517 -7.086 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 59 76.143 -8.248 -7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 59 74.551 -9.951 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 59 73.872 -8.694 -5.155 1.00 0.00 H new ATOM 750 N SER A 60 77.834 -10.358 -6.388 1.00 0.00 N ATOM 751 CA SER A 60 78.135 -11.713 -6.790 1.00 0.00 C ATOM 752 C SER A 60 79.022 -12.392 -5.777 1.00 0.00 C ATOM 753 O SER A 60 78.817 -13.563 -5.451 1.00 0.00 O ATOM 754 CB SER A 60 78.721 -11.769 -8.208 1.00 0.00 C ATOM 755 OG SER A 60 79.843 -10.913 -8.339 1.00 0.00 O ATOM 0 H SER A 60 78.300 -9.636 -6.938 1.00 0.00 H new ATOM 0 HA SER A 60 77.197 -12.268 -6.822 1.00 0.00 H new ATOM 0 HB2 SER A 60 79.013 -12.793 -8.442 1.00 0.00 H new ATOM 0 HB3 SER A 60 77.957 -11.483 -8.931 1.00 0.00 H new ATOM 0 HG SER A 60 80.290 -11.088 -9.193 1.00 0.00 H new ATOM 761 N ASP A 61 79.996 -11.654 -5.258 1.00 0.00 N ATOM 762 CA ASP A 61 80.831 -12.186 -4.206 1.00 0.00 C ATOM 763 C ASP A 61 80.000 -12.285 -2.949 1.00 0.00 C ATOM 764 O ASP A 61 80.069 -13.264 -2.206 1.00 0.00 O ATOM 765 CB ASP A 61 82.055 -11.315 -3.939 1.00 0.00 C ATOM 766 CG ASP A 61 82.999 -11.966 -2.951 1.00 0.00 C ATOM 767 OD1 ASP A 61 82.708 -11.982 -1.733 1.00 0.00 O ATOM 768 OD2 ASP A 61 84.067 -12.469 -3.357 1.00 0.00 O ATOM 0 H ASP A 61 80.219 -10.702 -5.547 1.00 0.00 H new ATOM 0 HA ASP A 61 81.196 -13.164 -4.519 1.00 0.00 H new ATOM 0 HB2 ASP A 61 82.580 -11.128 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.736 -10.347 -3.554 1.00 0.00 H new ATOM 773 N GLY A 62 79.171 -11.282 -2.752 1.00 0.00 N ATOM 774 CA GLY A 62 78.300 -11.236 -1.619 1.00 0.00 C ATOM 775 C GLY A 62 79.038 -10.886 -0.362 1.00 0.00 C ATOM 776 O GLY A 62 79.204 -11.726 0.521 1.00 0.00 O ATOM 0 H GLY A 62 79.089 -10.481 -3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 62 77.514 -10.502 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 62 77.812 -12.203 -1.496 1.00 0.00 H new ATOM 780 N ARG A 63 79.541 -9.672 -0.291 1.00 0.00 N ATOM 781 CA ARG A 63 80.210 -9.229 0.920 1.00 0.00 C ATOM 782 C ARG A 63 79.795 -7.813 1.299 1.00 0.00 C ATOM 783 O ARG A 63 79.594 -7.508 2.467 1.00 0.00 O ATOM 784 CB ARG A 63 81.751 -9.404 0.855 1.00 0.00 C ATOM 785 CG ARG A 63 82.470 -8.629 -0.235 1.00 0.00 C ATOM 786 CD ARG A 63 83.977 -8.893 -0.204 1.00 0.00 C ATOM 787 NE ARG A 63 84.340 -10.238 -0.645 1.00 0.00 N ATOM 788 CZ ARG A 63 85.574 -10.766 -0.604 1.00 0.00 C ATOM 789 NH1 ARG A 63 86.522 -10.234 0.171 1.00 0.00 N ATOM 790 NH2 ARG A 63 85.833 -11.862 -1.297 1.00 0.00 N ATOM 0 H ARG A 63 79.503 -8.982 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 63 79.877 -9.885 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 63 82.170 -9.110 1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 63 81.970 -10.464 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.069 -8.911 -1.209 1.00 0.00 H new ATOM 0 HG3 ARG A 63 82.283 -7.563 -0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 63 84.479 -8.163 -0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 63 84.344 -8.740 0.811 1.00 0.00 H new ATOM 0 HE ARG A 63 83.593 -10.825 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 63 86.314 -9.415 0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 63 87.455 -10.646 0.192 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.099 -12.298 -1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.767 -12.272 -1.273 1.00 0.00 H new ATOM 804 N ILE A 64 79.643 -6.956 0.315 1.00 0.00 N ATOM 805 CA ILE A 64 79.203 -5.599 0.562 1.00 0.00 C ATOM 806 C ILE A 64 77.720 -5.466 0.221 1.00 0.00 C ATOM 807 O ILE A 64 77.244 -6.075 -0.749 1.00 0.00 O ATOM 808 CB ILE A 64 80.010 -4.611 -0.308 1.00 0.00 C ATOM 809 CG1 ILE A 64 81.502 -4.817 -0.079 1.00 0.00 C ATOM 810 CG2 ILE A 64 79.626 -3.163 0.006 1.00 0.00 C ATOM 811 CD1 ILE A 64 82.365 -4.039 -1.029 1.00 0.00 C ATOM 0 H ILE A 64 79.818 -7.174 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 64 79.362 -5.368 1.615 1.00 0.00 H new ATOM 0 HB ILE A 64 79.776 -4.806 -1.355 1.00 0.00 H new ATOM 0 HG12 ILE A 64 81.748 -4.529 0.943 1.00 0.00 H new ATOM 0 HG13 ILE A 64 81.734 -5.878 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 64 80.209 -2.488 -0.620 1.00 0.00 H new ATOM 0 HG22 ILE A 64 78.564 -3.017 -0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 64 79.831 -2.952 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 64 83.415 -4.233 -0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 64 82.146 -4.344 -2.052 1.00 0.00 H new ATOM 0 HD13 ILE A 64 82.161 -2.974 -0.917 1.00 0.00 H new ATOM 823 N HIS A 65 77.006 -4.716 1.020 1.00 0.00 N ATOM 824 CA HIS A 65 75.627 -4.389 0.766 1.00 0.00 C ATOM 825 C HIS A 65 75.470 -2.889 0.998 1.00 0.00 C ATOM 826 O HIS A 65 76.421 -2.242 1.455 1.00 0.00 O ATOM 827 CB HIS A 65 74.637 -5.243 1.608 1.00 0.00 C ATOM 828 CG HIS A 65 74.754 -5.105 3.091 1.00 0.00 C ATOM 829 ND1 HIS A 65 75.432 -6.022 3.843 1.00 0.00 N ATOM 830 CD2 HIS A 65 74.255 -4.156 3.898 1.00 0.00 C ATOM 831 CE1 HIS A 65 75.330 -5.604 5.086 1.00 0.00 C ATOM 832 NE2 HIS A 65 74.632 -4.475 5.169 1.00 0.00 N ATOM 0 H HIS A 65 77.373 -4.308 1.880 1.00 0.00 H new ATOM 0 HA HIS A 65 75.369 -4.634 -0.264 1.00 0.00 H new ATOM 0 HB2 HIS A 65 73.621 -4.978 1.317 1.00 0.00 H new ATOM 0 HB3 HIS A 65 74.780 -6.292 1.348 1.00 0.00 H new ATOM 0 HD2 HIS A 65 73.666 -3.302 3.598 1.00 0.00 H new ATOM 0 HE1 HIS A 65 75.760 -6.115 5.935 1.00 0.00 H new ATOM 0 HE2 HIS A 65 74.420 -3.950 6.018 1.00 0.00 H new ATOM 840 N LYS A 66 74.326 -2.333 0.701 1.00 0.00 N ATOM 841 CA LYS A 66 74.180 -0.891 0.784 1.00 0.00 C ATOM 842 C LYS A 66 73.818 -0.426 2.185 1.00 0.00 C ATOM 843 O LYS A 66 73.180 -1.153 2.951 1.00 0.00 O ATOM 844 CB LYS A 66 73.189 -0.369 -0.253 1.00 0.00 C ATOM 845 CG LYS A 66 71.794 -0.926 -0.128 1.00 0.00 C ATOM 846 CD LYS A 66 70.892 -0.343 -1.178 1.00 0.00 C ATOM 847 CE LYS A 66 69.492 -0.874 -1.049 1.00 0.00 C ATOM 848 NZ LYS A 66 68.572 -0.230 -1.996 1.00 0.00 N ATOM 0 H LYS A 66 73.491 -2.839 0.404 1.00 0.00 H new ATOM 0 HA LYS A 66 75.156 -0.463 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 66 73.140 0.717 -0.174 1.00 0.00 H new ATOM 0 HB3 LYS A 66 73.570 -0.600 -1.248 1.00 0.00 H new ATOM 0 HG2 LYS A 66 71.821 -2.011 -0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 66 71.397 -0.705 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 66 70.881 0.743 -1.089 1.00 0.00 H new ATOM 0 HD3 LYS A 66 71.283 -0.578 -2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 66 69.495 -1.950 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 66 69.136 -0.715 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 67.617 -0.624 -1.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 68.549 0.794 -1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 68.897 -0.403 -2.968 1.00 0.00 H new ATOM 862 N GLY A 67 74.218 0.786 2.504 1.00 0.00 N ATOM 863 CA GLY A 67 73.978 1.347 3.812 1.00 0.00 C ATOM 864 C GLY A 67 75.224 1.321 4.661 1.00 0.00 C ATOM 865 O GLY A 67 75.344 2.061 5.625 1.00 0.00 O ATOM 0 H GLY A 67 74.716 1.406 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 67 73.627 2.374 3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 67 73.186 0.788 4.309 1.00 0.00 H new ATOM 869 N ASP A 68 76.150 0.473 4.289 1.00 0.00 N ATOM 870 CA ASP A 68 77.386 0.323 5.029 1.00 0.00 C ATOM 871 C ASP A 68 78.398 1.410 4.753 1.00 0.00 C ATOM 872 O ASP A 68 78.418 2.027 3.666 1.00 0.00 O ATOM 873 CB ASP A 68 77.963 -1.095 4.986 1.00 0.00 C ATOM 874 CG ASP A 68 77.246 -2.008 5.971 1.00 0.00 C ATOM 875 OD1 ASP A 68 76.059 -2.317 5.777 1.00 0.00 O ATOM 876 OD2 ASP A 68 77.832 -2.368 7.004 1.00 0.00 O ATOM 0 H ASP A 68 76.073 -0.131 3.471 1.00 0.00 H new ATOM 0 HA ASP A 68 77.107 0.471 6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 68 77.870 -1.498 3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.027 -1.065 5.221 1.00 0.00 H new ATOM 881 N ARG A 69 79.225 1.630 5.743 1.00 0.00 N ATOM 882 CA ARG A 69 80.121 2.758 5.823 1.00 0.00 C ATOM 883 C ARG A 69 81.503 2.488 5.255 1.00 0.00 C ATOM 884 O ARG A 69 82.115 1.501 5.566 1.00 0.00 O ATOM 885 CB ARG A 69 80.209 3.152 7.292 1.00 0.00 C ATOM 886 CG ARG A 69 81.204 4.232 7.642 1.00 0.00 C ATOM 887 CD ARG A 69 81.042 4.614 9.093 1.00 0.00 C ATOM 888 NE ARG A 69 79.722 5.205 9.325 1.00 0.00 N ATOM 889 CZ ARG A 69 78.890 4.892 10.314 1.00 0.00 C ATOM 890 NH1 ARG A 69 79.265 4.085 11.298 1.00 0.00 N ATOM 891 NH2 ARG A 69 77.704 5.447 10.340 1.00 0.00 N ATOM 0 H ARG A 69 79.296 1.005 6.546 1.00 0.00 H new ATOM 0 HA ARG A 69 79.722 3.564 5.208 1.00 0.00 H new ATOM 0 HB2 ARG A 69 79.222 3.480 7.617 1.00 0.00 H new ATOM 0 HB3 ARG A 69 80.455 2.261 7.870 1.00 0.00 H new ATOM 0 HG2 ARG A 69 82.219 3.879 7.459 1.00 0.00 H new ATOM 0 HG3 ARG A 69 81.050 5.104 7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 69 81.168 3.733 9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 69 81.819 5.323 9.377 1.00 0.00 H new ATOM 0 HE ARG A 69 79.413 5.922 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 69 80.206 3.693 11.305 1.00 0.00 H new ATOM 0 HH12 ARG A 69 78.612 3.857 12.048 1.00 0.00 H new ATOM 0 HH21 ARG A 69 77.433 6.106 9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 69 77.051 5.220 11.090 1.00 0.00 H new ATOM 905 N VAL A 70 81.983 3.418 4.469 1.00 0.00 N ATOM 906 CA VAL A 70 83.310 3.376 3.898 1.00 0.00 C ATOM 907 C VAL A 70 84.154 4.404 4.632 1.00 0.00 C ATOM 908 O VAL A 70 83.817 5.609 4.677 1.00 0.00 O ATOM 909 CB VAL A 70 83.304 3.692 2.374 1.00 0.00 C ATOM 910 CG1 VAL A 70 84.708 3.603 1.788 1.00 0.00 C ATOM 911 CG2 VAL A 70 82.353 2.761 1.627 1.00 0.00 C ATOM 0 H VAL A 70 81.451 4.246 4.201 1.00 0.00 H new ATOM 0 HA VAL A 70 83.716 2.370 4.010 1.00 0.00 H new ATOM 0 HB VAL A 70 82.949 4.715 2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 70 84.672 3.829 0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 70 85.358 4.320 2.289 1.00 0.00 H new ATOM 0 HG13 VAL A 70 85.100 2.596 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 70 82.367 3.003 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 70 82.670 1.728 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 70 81.342 2.887 2.014 1.00 0.00 H new ATOM 921 N LEU A 71 85.198 3.930 5.241 1.00 0.00 N ATOM 922 CA LEU A 71 86.091 4.764 5.994 1.00 0.00 C ATOM 923 C LEU A 71 87.270 5.138 5.137 1.00 0.00 C ATOM 924 O LEU A 71 87.762 6.282 5.176 1.00 0.00 O ATOM 925 CB LEU A 71 86.587 4.035 7.248 1.00 0.00 C ATOM 926 CG LEU A 71 85.533 3.655 8.283 1.00 0.00 C ATOM 927 CD1 LEU A 71 86.185 2.928 9.445 1.00 0.00 C ATOM 928 CD2 LEU A 71 84.802 4.888 8.777 1.00 0.00 C ATOM 0 H LEU A 71 85.459 2.944 5.230 1.00 0.00 H new ATOM 0 HA LEU A 71 85.553 5.661 6.300 1.00 0.00 H new ATOM 0 HB2 LEU A 71 87.097 3.125 6.933 1.00 0.00 H new ATOM 0 HB3 LEU A 71 87.331 4.665 7.736 1.00 0.00 H new ATOM 0 HG LEU A 71 84.807 2.991 7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 71 85.425 2.660 10.179 1.00 0.00 H new ATOM 0 HD12 LEU A 71 86.672 2.023 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 71 86.927 3.577 9.910 1.00 0.00 H new ATOM 0 HD21 LEU A 71 84.054 4.597 9.515 1.00 0.00 H new ATOM 0 HD22 LEU A 71 85.514 5.575 9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 71 84.311 5.381 7.938 1.00 0.00 H new ATOM 940 N ALA A 72 87.719 4.192 4.349 1.00 0.00 N ATOM 941 CA ALA A 72 88.895 4.389 3.545 1.00 0.00 C ATOM 942 C ALA A 72 88.904 3.440 2.369 1.00 0.00 C ATOM 943 O ALA A 72 88.087 2.538 2.295 1.00 0.00 O ATOM 944 CB ALA A 72 90.133 4.162 4.406 1.00 0.00 C ATOM 0 H ALA A 72 87.284 3.275 4.249 1.00 0.00 H new ATOM 0 HA ALA A 72 88.895 5.409 3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 72 91.028 4.310 3.802 1.00 0.00 H new ATOM 0 HB2 ALA A 72 90.134 4.869 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 72 90.123 3.144 4.797 1.00 0.00 H new ATOM 950 N VAL A 73 89.816 3.657 1.462 1.00 0.00 N ATOM 951 CA VAL A 73 90.041 2.799 0.322 1.00 0.00 C ATOM 952 C VAL A 73 91.524 2.489 0.291 1.00 0.00 C ATOM 953 O VAL A 73 92.335 3.405 0.257 1.00 0.00 O ATOM 954 CB VAL A 73 89.640 3.485 -1.014 1.00 0.00 C ATOM 955 CG1 VAL A 73 89.941 2.579 -2.201 1.00 0.00 C ATOM 956 CG2 VAL A 73 88.171 3.868 -1.008 1.00 0.00 C ATOM 0 H VAL A 73 90.445 4.460 1.493 1.00 0.00 H new ATOM 0 HA VAL A 73 89.431 1.901 0.420 1.00 0.00 H new ATOM 0 HB VAL A 73 90.234 4.394 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 73 89.652 3.081 -3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 73 91.008 2.357 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 73 89.379 1.650 -2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 73 87.916 4.346 -1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 73 87.562 2.973 -0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 73 87.979 4.560 -0.188 1.00 0.00 H new ATOM 966 N ASN A 74 91.865 1.210 0.376 1.00 0.00 N ATOM 967 CA ASN A 74 93.256 0.718 0.368 1.00 0.00 C ATOM 968 C ASN A 74 93.985 1.246 1.613 1.00 0.00 C ATOM 969 O ASN A 74 95.200 1.370 1.656 1.00 0.00 O ATOM 970 CB ASN A 74 93.963 1.111 -0.981 1.00 0.00 C ATOM 971 CG ASN A 74 95.385 0.557 -1.155 1.00 0.00 C ATOM 972 OD1 ASN A 74 96.371 1.201 -0.792 1.00 0.00 O ATOM 973 ND2 ASN A 74 95.506 -0.607 -1.745 1.00 0.00 N ATOM 0 H ASN A 74 91.176 0.462 0.454 1.00 0.00 H new ATOM 0 HA ASN A 74 93.278 -0.371 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 74 93.349 0.761 -1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 74 94.002 2.198 -1.050 1.00 0.00 H new ATOM 0 HD21 ASN A 74 96.432 -1.000 -1.913 1.00 0.00 H new ATOM 0 HD22 ASN A 74 94.674 -1.120 -2.036 1.00 0.00 H new ATOM 980 N GLY A 75 93.212 1.493 2.666 1.00 0.00 N ATOM 981 CA GLY A 75 93.773 2.060 3.872 1.00 0.00 C ATOM 982 C GLY A 75 93.949 3.573 3.782 1.00 0.00 C ATOM 983 O GLY A 75 94.268 4.227 4.776 1.00 0.00 O ATOM 0 H GLY A 75 92.209 1.310 2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 75 93.125 1.823 4.716 1.00 0.00 H new ATOM 0 HA3 GLY A 75 94.739 1.597 4.072 1.00 0.00 H new ATOM 987 N VAL A 76 93.718 4.136 2.606 1.00 0.00 N ATOM 988 CA VAL A 76 93.840 5.556 2.405 1.00 0.00 C ATOM 989 C VAL A 76 92.512 6.178 2.770 1.00 0.00 C ATOM 990 O VAL A 76 91.485 5.904 2.124 1.00 0.00 O ATOM 991 CB VAL A 76 94.203 5.901 0.930 1.00 0.00 C ATOM 992 CG1 VAL A 76 94.363 7.406 0.737 1.00 0.00 C ATOM 993 CG2 VAL A 76 95.473 5.171 0.504 1.00 0.00 C ATOM 0 H VAL A 76 93.442 3.617 1.773 1.00 0.00 H new ATOM 0 HA VAL A 76 94.645 5.945 3.028 1.00 0.00 H new ATOM 0 HB VAL A 76 93.380 5.566 0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 76 94.616 7.615 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.429 7.907 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 76 95.159 7.773 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 76 95.710 5.425 -0.529 1.00 0.00 H new ATOM 0 HG22 VAL A 76 96.299 5.470 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 76 95.319 4.095 0.587 1.00 0.00 H new ATOM 1003 N SER A 77 92.525 6.950 3.819 1.00 0.00 N ATOM 1004 CA SER A 77 91.344 7.544 4.365 1.00 0.00 C ATOM 1005 C SER A 77 90.695 8.536 3.416 1.00 0.00 C ATOM 1006 O SER A 77 91.364 9.405 2.835 1.00 0.00 O ATOM 1007 CB SER A 77 91.678 8.209 5.691 1.00 0.00 C ATOM 1008 OG SER A 77 92.170 7.251 6.618 1.00 0.00 O ATOM 0 H SER A 77 93.377 7.187 4.328 1.00 0.00 H new ATOM 0 HA SER A 77 90.616 6.748 4.524 1.00 0.00 H new ATOM 0 HB2 SER A 77 92.423 8.989 5.536 1.00 0.00 H new ATOM 0 HB3 SER A 77 90.789 8.693 6.096 1.00 0.00 H new ATOM 0 HG SER A 77 92.382 7.695 7.466 1.00 0.00 H new ATOM 1014 N LEU A 78 89.410 8.380 3.242 1.00 0.00 N ATOM 1015 CA LEU A 78 88.631 9.299 2.480 1.00 0.00 C ATOM 1016 C LEU A 78 87.402 9.806 3.199 1.00 0.00 C ATOM 1017 O LEU A 78 86.260 9.456 2.899 1.00 0.00 O ATOM 1018 CB LEU A 78 88.446 8.956 0.986 1.00 0.00 C ATOM 1019 CG LEU A 78 88.250 7.504 0.620 1.00 0.00 C ATOM 1020 CD1 LEU A 78 87.128 6.924 1.419 1.00 0.00 C ATOM 1021 CD2 LEU A 78 87.976 7.409 -0.862 1.00 0.00 C ATOM 0 H LEU A 78 88.877 7.603 3.631 1.00 0.00 H new ATOM 0 HA LEU A 78 89.271 10.179 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 78 87.585 9.514 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.319 9.323 0.447 1.00 0.00 H new ATOM 0 HG LEU A 78 89.149 6.932 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 78 86.993 5.877 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 78 87.361 6.998 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 78 86.210 7.474 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 78 87.833 6.365 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 78 87.076 7.975 -1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 78 88.821 7.818 -1.415 1.00 0.00 H new ATOM 1033 N GLU A 79 87.670 10.573 4.217 1.00 0.00 N ATOM 1034 CA GLU A 79 86.662 11.221 5.004 1.00 0.00 C ATOM 1035 C GLU A 79 86.747 12.695 4.675 1.00 0.00 C ATOM 1036 O GLU A 79 87.783 13.340 4.932 1.00 0.00 O ATOM 1037 CB GLU A 79 86.928 10.990 6.491 1.00 0.00 C ATOM 1038 CG GLU A 79 86.913 9.526 6.911 1.00 0.00 C ATOM 1039 CD GLU A 79 87.309 9.344 8.352 1.00 0.00 C ATOM 1040 OE1 GLU A 79 86.534 9.740 9.240 1.00 0.00 O ATOM 1041 OE2 GLU A 79 88.434 8.827 8.624 1.00 0.00 O ATOM 0 H GLU A 79 88.621 10.770 4.530 1.00 0.00 H new ATOM 0 HA GLU A 79 85.670 10.826 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 79 87.897 11.419 6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 79 86.179 11.530 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 79 85.915 9.115 6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 79 87.593 8.960 6.275 1.00 0.00 H new ATOM 1048 N GLY A 80 85.717 13.213 4.080 1.00 0.00 N ATOM 1049 CA GLY A 80 85.741 14.567 3.611 1.00 0.00 C ATOM 1050 C GLY A 80 86.002 14.601 2.124 1.00 0.00 C ATOM 1051 O GLY A 80 86.344 15.645 1.552 1.00 0.00 O ATOM 0 H GLY A 80 84.843 12.716 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 80 84.790 15.053 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 80 86.515 15.127 4.136 1.00 0.00 H new ATOM 1055 N ALA A 81 85.844 13.454 1.501 1.00 0.00 N ATOM 1056 CA ALA A 81 86.046 13.296 0.082 1.00 0.00 C ATOM 1057 C ALA A 81 84.729 13.539 -0.601 1.00 0.00 C ATOM 1058 O ALA A 81 83.744 13.868 0.048 1.00 0.00 O ATOM 1059 CB ALA A 81 86.541 11.872 -0.232 1.00 0.00 C ATOM 0 H ALA A 81 85.568 12.594 1.975 1.00 0.00 H new ATOM 0 HA ALA A 81 86.797 14.003 -0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 81 86.689 11.767 -1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 81 87.484 11.693 0.284 1.00 0.00 H new ATOM 0 HB3 ALA A 81 85.800 11.147 0.105 1.00 0.00 H new ATOM 1065 N THR A 82 84.700 13.387 -1.878 1.00 0.00 N ATOM 1066 CA THR A 82 83.482 13.508 -2.598 1.00 0.00 C ATOM 1067 C THR A 82 83.163 12.138 -3.149 1.00 0.00 C ATOM 1068 O THR A 82 84.019 11.229 -3.068 1.00 0.00 O ATOM 1069 CB THR A 82 83.621 14.504 -3.778 1.00 0.00 C ATOM 1070 OG1 THR A 82 84.551 13.994 -4.725 1.00 0.00 O ATOM 1071 CG2 THR A 82 84.133 15.838 -3.309 1.00 0.00 C ATOM 0 H THR A 82 85.517 13.176 -2.451 1.00 0.00 H new ATOM 0 HA THR A 82 82.698 13.880 -1.939 1.00 0.00 H new ATOM 0 HB THR A 82 82.633 14.628 -4.222 1.00 0.00 H new ATOM 0 HG1 THR A 82 84.721 14.671 -5.413 1.00 0.00 H new ATOM 0 HG21 THR A 82 84.219 16.514 -4.160 1.00 0.00 H new ATOM 0 HG22 THR A 82 83.440 16.258 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 82 85.112 15.710 -2.846 1.00 0.00 H new ATOM 1079 N HIS A 83 81.956 11.970 -3.658 1.00 0.00 N ATOM 1080 CA HIS A 83 81.552 10.771 -4.385 1.00 0.00 C ATOM 1081 C HIS A 83 82.594 10.532 -5.464 1.00 0.00 C ATOM 1082 O HIS A 83 83.176 9.452 -5.575 1.00 0.00 O ATOM 1083 CB HIS A 83 80.153 11.030 -5.020 1.00 0.00 C ATOM 1084 CG HIS A 83 79.579 9.955 -5.924 1.00 0.00 C ATOM 1085 ND1 HIS A 83 78.319 9.459 -5.718 1.00 0.00 N ATOM 1086 CD2 HIS A 83 80.082 9.411 -7.062 1.00 0.00 C ATOM 1087 CE1 HIS A 83 78.087 8.636 -6.731 1.00 0.00 C ATOM 1088 NE2 HIS A 83 79.123 8.579 -7.562 1.00 0.00 N ATOM 0 H HIS A 83 81.217 12.668 -3.579 1.00 0.00 H new ATOM 0 HA HIS A 83 81.484 9.899 -3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 83 79.444 11.201 -4.210 1.00 0.00 H new ATOM 0 HB3 HIS A 83 80.211 11.955 -5.594 1.00 0.00 H new ATOM 0 HD2 HIS A 83 81.055 9.601 -7.490 1.00 0.00 H new ATOM 0 HE1 HIS A 83 77.170 8.081 -6.865 1.00 0.00 H new ATOM 0 HE2 HIS A 83 79.189 8.019 -8.412 1.00 0.00 H new ATOM 1096 N LYS A 84 82.848 11.588 -6.204 1.00 0.00 N ATOM 1097 CA LYS A 84 83.770 11.587 -7.300 1.00 0.00 C ATOM 1098 C LYS A 84 85.195 11.214 -6.872 1.00 0.00 C ATOM 1099 O LYS A 84 85.816 10.383 -7.515 1.00 0.00 O ATOM 1100 CB LYS A 84 83.715 12.935 -8.014 1.00 0.00 C ATOM 1101 CG LYS A 84 82.319 13.264 -8.529 1.00 0.00 C ATOM 1102 CD LYS A 84 82.239 14.635 -9.169 1.00 0.00 C ATOM 1103 CE LYS A 84 80.807 14.941 -9.581 1.00 0.00 C ATOM 1104 NZ LYS A 84 80.674 16.252 -10.243 1.00 0.00 N ATOM 0 H LYS A 84 82.403 12.493 -6.050 1.00 0.00 H new ATOM 0 HA LYS A 84 83.467 10.809 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 84 84.041 13.719 -7.330 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.415 12.929 -8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 84 82.018 12.510 -9.256 1.00 0.00 H new ATOM 0 HG3 LYS A 84 81.610 13.211 -7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 84 82.593 15.392 -8.469 1.00 0.00 H new ATOM 0 HD3 LYS A 84 82.892 14.676 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 84 80.452 14.161 -10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 84 80.166 14.917 -8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 79.680 16.410 -10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 80.986 17.002 -9.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 81.263 16.269 -11.100 1.00 0.00 H new ATOM 1118 N GLN A 85 85.690 11.770 -5.758 1.00 0.00 N ATOM 1119 CA GLN A 85 87.050 11.451 -5.296 1.00 0.00 C ATOM 1120 C GLN A 85 87.133 10.006 -4.824 1.00 0.00 C ATOM 1121 O GLN A 85 88.119 9.299 -5.107 1.00 0.00 O ATOM 1122 CB GLN A 85 87.514 12.400 -4.174 1.00 0.00 C ATOM 1123 CG GLN A 85 87.651 13.866 -4.584 1.00 0.00 C ATOM 1124 CD GLN A 85 88.747 14.129 -5.608 1.00 0.00 C ATOM 1125 OE1 GLN A 85 89.088 13.276 -6.431 1.00 0.00 O ATOM 1126 NE2 GLN A 85 89.272 15.319 -5.599 1.00 0.00 N ATOM 0 H GLN A 85 85.182 12.430 -5.169 1.00 0.00 H new ATOM 0 HA GLN A 85 87.718 11.588 -6.146 1.00 0.00 H new ATOM 0 HB2 GLN A 85 86.807 12.334 -3.347 1.00 0.00 H new ATOM 0 HB3 GLN A 85 88.476 12.052 -3.799 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.699 14.208 -4.991 1.00 0.00 H new ATOM 0 HG3 GLN A 85 87.850 14.463 -3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 85 88.970 16.004 -4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 85 89.985 15.567 -6.285 1.00 0.00 H new ATOM 1135 N ALA A 86 86.104 9.565 -4.104 1.00 0.00 N ATOM 1136 CA ALA A 86 86.012 8.204 -3.630 1.00 0.00 C ATOM 1137 C ALA A 86 86.072 7.217 -4.790 1.00 0.00 C ATOM 1138 O ALA A 86 86.954 6.359 -4.851 1.00 0.00 O ATOM 1139 CB ALA A 86 84.720 8.002 -2.876 1.00 0.00 C ATOM 0 H ALA A 86 85.313 10.151 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 86 86.858 8.023 -2.967 1.00 0.00 H new ATOM 0 HB1 ALA A 86 84.662 6.972 -2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 86 84.687 8.680 -2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 86 83.877 8.208 -3.536 1.00 0.00 H new ATOM 1145 N VAL A 87 85.157 7.390 -5.727 1.00 0.00 N ATOM 1146 CA VAL A 87 85.040 6.522 -6.898 1.00 0.00 C ATOM 1147 C VAL A 87 86.301 6.599 -7.772 1.00 0.00 C ATOM 1148 O VAL A 87 86.726 5.596 -8.345 1.00 0.00 O ATOM 1149 CB VAL A 87 83.775 6.869 -7.744 1.00 0.00 C ATOM 1150 CG1 VAL A 87 83.709 6.045 -9.024 1.00 0.00 C ATOM 1151 CG2 VAL A 87 82.516 6.649 -6.928 1.00 0.00 C ATOM 0 H VAL A 87 84.467 8.140 -5.702 1.00 0.00 H new ATOM 0 HA VAL A 87 84.933 5.501 -6.532 1.00 0.00 H new ATOM 0 HB VAL A 87 83.848 7.920 -8.022 1.00 0.00 H new ATOM 0 HG11 VAL A 87 82.815 6.316 -9.585 1.00 0.00 H new ATOM 0 HG12 VAL A 87 84.592 6.244 -9.631 1.00 0.00 H new ATOM 0 HG13 VAL A 87 83.673 4.985 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 87 81.643 6.895 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 87 82.460 5.605 -6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 87 82.538 7.288 -6.045 1.00 0.00 H new ATOM 1161 N GLU A 88 86.936 7.761 -7.821 1.00 0.00 N ATOM 1162 CA GLU A 88 88.146 7.885 -8.596 1.00 0.00 C ATOM 1163 C GLU A 88 89.270 7.094 -7.971 1.00 0.00 C ATOM 1164 O GLU A 88 90.080 6.493 -8.673 1.00 0.00 O ATOM 1165 CB GLU A 88 88.553 9.323 -8.891 1.00 0.00 C ATOM 1166 CG GLU A 88 87.718 9.970 -9.978 1.00 0.00 C ATOM 1167 CD GLU A 88 88.288 11.278 -10.450 1.00 0.00 C ATOM 1168 OE1 GLU A 88 89.395 11.281 -11.046 1.00 0.00 O ATOM 1169 OE2 GLU A 88 87.630 12.317 -10.307 1.00 0.00 O ATOM 0 H GLU A 88 86.636 8.610 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 88 87.924 7.454 -9.572 1.00 0.00 H new ATOM 0 HB2 GLU A 88 88.468 9.912 -7.978 1.00 0.00 H new ATOM 0 HB3 GLU A 88 89.602 9.343 -9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 88 87.639 9.287 -10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 88 86.707 10.133 -9.604 1.00 0.00 H new ATOM 1176 N THR A 89 89.277 7.022 -6.653 1.00 0.00 N ATOM 1177 CA THR A 89 90.240 6.219 -5.939 1.00 0.00 C ATOM 1178 C THR A 89 89.939 4.727 -6.210 1.00 0.00 C ATOM 1179 O THR A 89 90.839 3.904 -6.339 1.00 0.00 O ATOM 1180 CB THR A 89 90.164 6.517 -4.418 1.00 0.00 C ATOM 1181 OG1 THR A 89 90.354 7.931 -4.198 1.00 0.00 O ATOM 1182 CG2 THR A 89 91.231 5.751 -3.646 1.00 0.00 C ATOM 0 H THR A 89 88.617 7.518 -6.054 1.00 0.00 H new ATOM 0 HA THR A 89 91.247 6.458 -6.282 1.00 0.00 H new ATOM 0 HB THR A 89 89.184 6.200 -4.061 1.00 0.00 H new ATOM 0 HG1 THR A 89 89.568 8.421 -4.519 1.00 0.00 H new ATOM 0 HG21 THR A 89 91.149 5.983 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 89 91.090 4.681 -3.795 1.00 0.00 H new ATOM 0 HG23 THR A 89 92.218 6.041 -4.005 1.00 0.00 H new ATOM 1190 N LEU A 90 88.657 4.423 -6.370 1.00 0.00 N ATOM 1191 CA LEU A 90 88.182 3.080 -6.659 1.00 0.00 C ATOM 1192 C LEU A 90 88.505 2.689 -8.092 1.00 0.00 C ATOM 1193 O LEU A 90 88.454 1.518 -8.463 1.00 0.00 O ATOM 1194 CB LEU A 90 86.675 2.990 -6.406 1.00 0.00 C ATOM 1195 CG LEU A 90 86.234 3.277 -4.971 1.00 0.00 C ATOM 1196 CD1 LEU A 90 84.723 3.203 -4.835 1.00 0.00 C ATOM 1197 CD2 LEU A 90 86.902 2.310 -4.025 1.00 0.00 C ATOM 0 H LEU A 90 87.909 5.114 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 90 88.693 2.383 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 90 86.169 3.691 -7.071 1.00 0.00 H new ATOM 0 HB3 LEU A 90 86.337 1.991 -6.679 1.00 0.00 H new ATOM 0 HG LEU A 90 86.539 4.292 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 90 84.440 3.412 -3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 90 84.262 3.939 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 90 84.381 2.205 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 90 86.583 2.521 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 90 86.622 1.290 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A 90 87.984 2.420 -4.097 1.00 0.00 H new ATOM 1209 N ARG A 91 88.804 3.667 -8.900 1.00 0.00 N ATOM 1210 CA ARG A 91 89.218 3.408 -10.248 1.00 0.00 C ATOM 1211 C ARG A 91 90.750 3.301 -10.296 1.00 0.00 C ATOM 1212 O ARG A 91 91.309 2.447 -10.984 1.00 0.00 O ATOM 1213 CB ARG A 91 88.699 4.498 -11.182 1.00 0.00 C ATOM 1214 CG ARG A 91 88.966 4.263 -12.664 1.00 0.00 C ATOM 1215 CD ARG A 91 88.384 5.397 -13.484 1.00 0.00 C ATOM 1216 NE ARG A 91 88.535 5.205 -14.930 1.00 0.00 N ATOM 1217 CZ ARG A 91 88.120 6.075 -15.858 1.00 0.00 C ATOM 1218 NH1 ARG A 91 87.623 7.262 -15.498 1.00 0.00 N ATOM 1219 NH2 ARG A 91 88.229 5.760 -17.138 1.00 0.00 N ATOM 0 H ARG A 91 88.768 4.654 -8.646 1.00 0.00 H new ATOM 0 HA ARG A 91 88.796 2.462 -10.588 1.00 0.00 H new ATOM 0 HB2 ARG A 91 87.624 4.599 -11.034 1.00 0.00 H new ATOM 0 HB3 ARG A 91 89.151 5.447 -10.894 1.00 0.00 H new ATOM 0 HG2 ARG A 91 90.039 4.189 -12.841 1.00 0.00 H new ATOM 0 HG3 ARG A 91 88.526 3.316 -12.975 1.00 0.00 H new ATOM 0 HD2 ARG A 91 87.325 5.501 -13.247 1.00 0.00 H new ATOM 0 HD3 ARG A 91 88.868 6.330 -13.196 1.00 0.00 H new ATOM 0 HE ARG A 91 88.988 4.349 -15.250 1.00 0.00 H new ATOM 0 HH11 ARG A 91 87.558 7.510 -14.511 1.00 0.00 H new ATOM 0 HH12 ARG A 91 87.308 7.921 -16.211 1.00 0.00 H new ATOM 0 HH21 ARG A 91 88.626 4.861 -17.410 1.00 0.00 H new ATOM 0 HH22 ARG A 91 87.916 6.416 -17.853 1.00 0.00 H new ATOM 1233 N ASN A 92 91.411 4.137 -9.499 1.00 0.00 N ATOM 1234 CA ASN A 92 92.885 4.190 -9.430 1.00 0.00 C ATOM 1235 C ASN A 92 93.486 2.937 -8.802 1.00 0.00 C ATOM 1236 O ASN A 92 94.621 2.583 -9.091 1.00 0.00 O ATOM 1237 CB ASN A 92 93.379 5.428 -8.643 1.00 0.00 C ATOM 1238 CG ASN A 92 93.130 6.773 -9.321 1.00 0.00 C ATOM 1239 OD1 ASN A 92 92.925 7.795 -8.649 1.00 0.00 O ATOM 1240 ND2 ASN A 92 93.196 6.815 -10.623 1.00 0.00 N ATOM 0 H ASN A 92 90.947 4.801 -8.879 1.00 0.00 H new ATOM 0 HA ASN A 92 93.222 4.258 -10.464 1.00 0.00 H new ATOM 0 HB2 ASN A 92 92.893 5.436 -7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 92 94.449 5.322 -8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 92 93.078 7.703 -11.111 1.00 0.00 H new ATOM 0 HD22 ASN A 92 93.366 5.960 -11.153 1.00 0.00 H new ATOM 1247 N THR A 93 92.735 2.291 -7.949 1.00 0.00 N ATOM 1248 CA THR A 93 93.185 1.107 -7.244 1.00 0.00 C ATOM 1249 C THR A 93 93.351 -0.115 -8.160 1.00 0.00 C ATOM 1250 O THR A 93 94.367 -0.821 -8.084 1.00 0.00 O ATOM 1251 CB THR A 93 92.222 0.802 -6.107 1.00 0.00 C ATOM 1252 OG1 THR A 93 90.916 1.202 -6.525 1.00 0.00 O ATOM 1253 CG2 THR A 93 92.603 1.547 -4.837 1.00 0.00 C ATOM 0 H THR A 93 91.782 2.571 -7.718 1.00 0.00 H new ATOM 0 HA THR A 93 94.177 1.320 -6.846 1.00 0.00 H new ATOM 0 HB THR A 93 92.256 -0.264 -5.882 1.00 0.00 H new ATOM 0 HG1 THR A 93 90.791 2.156 -6.338 1.00 0.00 H new ATOM 0 HG21 THR A 93 91.893 1.305 -4.046 1.00 0.00 H new ATOM 0 HG22 THR A 93 93.605 1.250 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 93 92.584 2.620 -5.025 1.00 0.00 H new ATOM 1261 N GLY A 94 92.376 -0.378 -8.996 1.00 0.00 N ATOM 1262 CA GLY A 94 92.490 -1.481 -9.921 1.00 0.00 C ATOM 1263 C GLY A 94 91.253 -2.333 -9.939 1.00 0.00 C ATOM 1264 O GLY A 94 90.173 -1.850 -9.595 1.00 0.00 O ATOM 0 H GLY A 94 91.505 0.149 -9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 94 92.679 -1.095 -10.923 1.00 0.00 H new ATOM 0 HA3 GLY A 94 93.349 -2.095 -9.649 1.00 0.00 H new ATOM 1268 N GLN A 95 91.395 -3.591 -10.339 1.00 0.00 N ATOM 1269 CA GLN A 95 90.264 -4.510 -10.390 1.00 0.00 C ATOM 1270 C GLN A 95 89.873 -4.969 -8.993 1.00 0.00 C ATOM 1271 O GLN A 95 88.700 -4.970 -8.637 1.00 0.00 O ATOM 1272 CB GLN A 95 90.558 -5.713 -11.286 1.00 0.00 C ATOM 1273 CG GLN A 95 89.459 -6.765 -11.279 1.00 0.00 C ATOM 1274 CD GLN A 95 89.785 -7.945 -12.147 1.00 0.00 C ATOM 1275 OE1 GLN A 95 90.409 -8.907 -11.698 1.00 0.00 O ATOM 1276 NE2 GLN A 95 89.351 -7.905 -13.365 1.00 0.00 N ATOM 0 H GLN A 95 92.283 -3.998 -10.633 1.00 0.00 H new ATOM 0 HA GLN A 95 89.424 -3.968 -10.824 1.00 0.00 H new ATOM 0 HB2 GLN A 95 90.709 -5.365 -12.308 1.00 0.00 H new ATOM 0 HB3 GLN A 95 91.492 -6.174 -10.965 1.00 0.00 H new ATOM 0 HG2 GLN A 95 89.293 -7.105 -10.257 1.00 0.00 H new ATOM 0 HG3 GLN A 95 88.527 -6.314 -11.620 1.00 0.00 H new ATOM 0 HE21 GLN A 95 88.838 -7.088 -13.697 1.00 0.00 H new ATOM 0 HE22 GLN A 95 89.522 -8.690 -13.993 1.00 0.00 H new ATOM 1285 N VAL A 96 90.835 -5.381 -8.216 1.00 0.00 N ATOM 1286 CA VAL A 96 90.552 -5.770 -6.862 1.00 0.00 C ATOM 1287 C VAL A 96 90.851 -4.596 -5.984 1.00 0.00 C ATOM 1288 O VAL A 96 92.012 -4.224 -5.786 1.00 0.00 O ATOM 1289 CB VAL A 96 91.348 -7.023 -6.404 1.00 0.00 C ATOM 1290 CG1 VAL A 96 91.007 -7.389 -4.954 1.00 0.00 C ATOM 1291 CG2 VAL A 96 91.046 -8.194 -7.322 1.00 0.00 C ATOM 0 H VAL A 96 91.814 -5.456 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 96 89.503 -6.057 -6.792 1.00 0.00 H new ATOM 0 HB VAL A 96 92.412 -6.791 -6.456 1.00 0.00 H new ATOM 0 HG11 VAL A 96 91.577 -8.269 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 96 91.260 -6.555 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 96 89.941 -7.603 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 96 91.608 -9.068 -6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 96 89.979 -8.416 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 96 91.333 -7.940 -8.342 1.00 0.00 H new ATOM 1301 N VAL A 97 89.830 -3.981 -5.528 1.00 0.00 N ATOM 1302 CA VAL A 97 89.959 -2.799 -4.748 1.00 0.00 C ATOM 1303 C VAL A 97 89.807 -3.166 -3.311 1.00 0.00 C ATOM 1304 O VAL A 97 88.943 -3.966 -2.960 1.00 0.00 O ATOM 1305 CB VAL A 97 88.858 -1.770 -5.085 1.00 0.00 C ATOM 1306 CG1 VAL A 97 89.180 -0.421 -4.480 1.00 0.00 C ATOM 1307 CG2 VAL A 97 88.625 -1.663 -6.577 1.00 0.00 C ATOM 0 H VAL A 97 88.868 -4.281 -5.683 1.00 0.00 H new ATOM 0 HA VAL A 97 90.933 -2.357 -4.960 1.00 0.00 H new ATOM 0 HB VAL A 97 87.928 -2.126 -4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 97 88.391 0.288 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 97 89.252 -0.516 -3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 97 90.130 -0.062 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 97 87.843 -0.929 -6.771 1.00 0.00 H new ATOM 0 HG22 VAL A 97 89.547 -1.350 -7.068 1.00 0.00 H new ATOM 0 HG23 VAL A 97 88.317 -2.633 -6.968 1.00 0.00 H new ATOM 1317 N HIS A 98 90.635 -2.631 -2.492 1.00 0.00 N ATOM 1318 CA HIS A 98 90.500 -2.844 -1.095 1.00 0.00 C ATOM 1319 C HIS A 98 89.889 -1.596 -0.531 1.00 0.00 C ATOM 1320 O HIS A 98 90.315 -0.511 -0.864 1.00 0.00 O ATOM 1321 CB HIS A 98 91.857 -3.085 -0.416 1.00 0.00 C ATOM 1322 CG HIS A 98 92.675 -4.218 -0.968 1.00 0.00 C ATOM 1323 ND1 HIS A 98 93.941 -3.995 -1.458 1.00 0.00 N ATOM 1324 CD2 HIS A 98 92.403 -5.544 -1.035 1.00 0.00 C ATOM 1325 CE1 HIS A 98 94.409 -5.184 -1.805 1.00 0.00 C ATOM 1326 NE2 HIS A 98 93.520 -6.144 -1.568 1.00 0.00 N ATOM 0 H HIS A 98 91.419 -2.038 -2.765 1.00 0.00 H new ATOM 0 HA HIS A 98 89.888 -3.728 -0.917 1.00 0.00 H new ATOM 0 HB2 HIS A 98 92.445 -2.170 -0.487 1.00 0.00 H new ATOM 0 HB3 HIS A 98 91.683 -3.271 0.644 1.00 0.00 H new ATOM 0 HD2 HIS A 98 91.490 -6.033 -0.730 1.00 0.00 H new ATOM 0 HE1 HIS A 98 95.389 -5.353 -2.227 1.00 0.00 H new ATOM 0 HE2 HIS A 98 93.643 -7.140 -1.748 1.00 0.00 H new ATOM 1334 N LEU A 99 88.878 -1.728 0.242 1.00 0.00 N ATOM 1335 CA LEU A 99 88.317 -0.604 0.930 1.00 0.00 C ATOM 1336 C LEU A 99 88.243 -0.941 2.393 1.00 0.00 C ATOM 1337 O LEU A 99 88.214 -2.110 2.759 1.00 0.00 O ATOM 1338 CB LEU A 99 86.919 -0.130 0.415 1.00 0.00 C ATOM 1339 CG LEU A 99 86.792 0.430 -0.995 1.00 0.00 C ATOM 1340 CD1 LEU A 99 86.827 -0.682 -2.028 1.00 0.00 C ATOM 1341 CD2 LEU A 99 85.498 1.238 -1.128 1.00 0.00 C ATOM 0 H LEU A 99 88.408 -2.615 0.423 1.00 0.00 H new ATOM 0 HA LEU A 99 88.977 0.241 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 99 86.237 -0.977 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 99 86.558 0.634 1.104 1.00 0.00 H new ATOM 0 HG LEU A 99 87.641 1.088 -1.178 1.00 0.00 H new ATOM 0 HD11 LEU A 99 86.734 -0.254 -3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 99 87.771 -1.221 -1.950 1.00 0.00 H new ATOM 0 HD13 LEU A 99 86.001 -1.370 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 99 85.418 1.633 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 99 84.644 0.593 -0.922 1.00 0.00 H new ATOM 0 HD23 LEU A 99 85.510 2.063 -0.416 1.00 0.00 H new ATOM 1353 N LEU A 100 88.250 0.043 3.221 1.00 0.00 N ATOM 1354 CA LEU A 100 88.145 -0.168 4.621 1.00 0.00 C ATOM 1355 C LEU A 100 86.734 0.262 4.998 1.00 0.00 C ATOM 1356 O LEU A 100 86.399 1.457 4.906 1.00 0.00 O ATOM 1357 CB LEU A 100 89.201 0.678 5.372 1.00 0.00 C ATOM 1358 CG LEU A 100 89.574 0.261 6.824 1.00 0.00 C ATOM 1359 CD1 LEU A 100 90.628 1.193 7.380 1.00 0.00 C ATOM 1360 CD2 LEU A 100 88.365 0.219 7.757 1.00 0.00 C ATOM 0 H LEU A 100 88.329 1.022 2.945 1.00 0.00 H new ATOM 0 HA LEU A 100 88.326 -1.208 4.890 1.00 0.00 H new ATOM 0 HB2 LEU A 100 90.115 0.674 4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 100 88.844 1.708 5.402 1.00 0.00 H new ATOM 0 HG LEU A 100 89.970 -0.753 6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 100 90.881 0.891 8.396 1.00 0.00 H new ATOM 0 HD12 LEU A 100 91.520 1.147 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 100 90.243 2.213 7.389 1.00 0.00 H new ATOM 0 HD21 LEU A 100 88.686 -0.078 8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 100 87.906 1.206 7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 100 87.639 -0.502 7.380 1.00 0.00 H new ATOM 1372 N LEU A 101 85.913 -0.673 5.384 1.00 0.00 N ATOM 1373 CA LEU A 101 84.539 -0.373 5.703 1.00 0.00 C ATOM 1374 C LEU A 101 84.241 -0.582 7.166 1.00 0.00 C ATOM 1375 O LEU A 101 85.005 -1.206 7.880 1.00 0.00 O ATOM 1376 CB LEU A 101 83.540 -1.152 4.823 1.00 0.00 C ATOM 1377 CG LEU A 101 83.146 -0.514 3.475 1.00 0.00 C ATOM 1378 CD1 LEU A 101 84.307 -0.404 2.538 1.00 0.00 C ATOM 1379 CD2 LEU A 101 82.001 -1.270 2.830 1.00 0.00 C ATOM 0 H LEU A 101 86.169 -1.655 5.487 1.00 0.00 H new ATOM 0 HA LEU A 101 84.405 0.686 5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 101 83.963 -2.136 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 101 82.630 -1.309 5.402 1.00 0.00 H new ATOM 0 HG LEU A 101 82.812 0.501 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 101 83.979 0.051 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 101 85.082 0.215 2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 101 84.707 -1.398 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 101 81.743 -0.799 1.881 1.00 0.00 H new ATOM 0 HD22 LEU A 101 82.301 -2.303 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 101 81.135 -1.252 3.491 1.00 0.00 H new ATOM 1391 N GLU A 102 83.159 -0.026 7.593 1.00 0.00 N ATOM 1392 CA GLU A 102 82.694 -0.110 8.943 1.00 0.00 C ATOM 1393 C GLU A 102 81.220 -0.470 8.870 1.00 0.00 C ATOM 1394 O GLU A 102 80.588 -0.184 7.840 1.00 0.00 O ATOM 1395 CB GLU A 102 82.870 1.236 9.645 1.00 0.00 C ATOM 1396 CG GLU A 102 82.635 1.182 11.137 1.00 0.00 C ATOM 1397 CD GLU A 102 82.657 2.531 11.790 1.00 0.00 C ATOM 1398 OE1 GLU A 102 83.741 3.087 12.003 1.00 0.00 O ATOM 1399 OE2 GLU A 102 81.567 3.045 12.130 1.00 0.00 O ATOM 0 H GLU A 102 82.546 0.523 6.990 1.00 0.00 H new ATOM 0 HA GLU A 102 83.256 -0.854 9.507 1.00 0.00 H new ATOM 0 HB2 GLU A 102 83.879 1.603 9.459 1.00 0.00 H new ATOM 0 HB3 GLU A 102 82.182 1.958 9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 102 81.672 0.709 11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 102 83.397 0.552 11.595 1.00 0.00 H new ATOM 1406 N LYS A 103 80.683 -1.110 9.909 1.00 0.00 N ATOM 1407 CA LYS A 103 79.252 -1.430 9.972 1.00 0.00 C ATOM 1408 C LYS A 103 78.363 -0.184 9.679 1.00 0.00 C ATOM 1409 O LYS A 103 78.474 0.867 10.331 1.00 0.00 O ATOM 1410 CB LYS A 103 78.862 -2.094 11.338 1.00 0.00 C ATOM 1411 CG LYS A 103 78.617 -1.156 12.527 1.00 0.00 C ATOM 1412 CD LYS A 103 79.812 -0.286 12.852 1.00 0.00 C ATOM 1413 CE LYS A 103 79.478 0.701 13.960 1.00 0.00 C ATOM 1414 NZ LYS A 103 80.597 1.607 14.254 1.00 0.00 N ATOM 0 H LYS A 103 81.217 -1.419 10.722 1.00 0.00 H new ATOM 0 HA LYS A 103 79.061 -2.160 9.185 1.00 0.00 H new ATOM 0 HB2 LYS A 103 77.959 -2.684 11.181 1.00 0.00 H new ATOM 0 HB3 LYS A 103 79.654 -2.790 11.614 1.00 0.00 H new ATOM 0 HG2 LYS A 103 77.760 -0.519 12.309 1.00 0.00 H new ATOM 0 HG3 LYS A 103 78.358 -1.750 13.404 1.00 0.00 H new ATOM 0 HD2 LYS A 103 80.651 -0.912 13.157 1.00 0.00 H new ATOM 0 HD3 LYS A 103 80.127 0.255 11.960 1.00 0.00 H new ATOM 0 HE2 LYS A 103 78.605 1.287 13.671 1.00 0.00 H new ATOM 0 HE3 LYS A 103 79.210 0.153 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 80.369 2.180 15.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 81.455 1.050 14.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 80.760 2.233 13.440 1.00 0.00 H new ATOM 1428 N GLY A 104 77.538 -0.288 8.682 1.00 0.00 N ATOM 1429 CA GLY A 104 76.644 0.787 8.340 1.00 0.00 C ATOM 1430 C GLY A 104 75.238 0.496 8.778 1.00 0.00 C ATOM 1431 O GLY A 104 74.283 0.601 7.992 1.00 0.00 O ATOM 0 H GLY A 104 77.462 -1.111 8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 104 76.988 1.710 8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 104 76.664 0.949 7.262 1.00 0.00 H new ATOM 1435 N GLN A 105 75.107 0.062 10.015 1.00 0.00 N ATOM 1436 CA GLN A 105 73.851 -0.194 10.605 1.00 0.00 C ATOM 1437 C GLN A 105 73.089 1.123 10.756 1.00 0.00 C ATOM 1438 O GLN A 105 71.901 1.216 10.454 1.00 0.00 O ATOM 1439 CB GLN A 105 74.094 -0.832 11.955 1.00 0.00 C ATOM 1440 CG GLN A 105 72.852 -1.132 12.698 1.00 0.00 C ATOM 1441 CD GLN A 105 73.115 -1.653 14.091 1.00 0.00 C ATOM 1442 OE1 GLN A 105 74.127 -2.297 14.345 1.00 0.00 O ATOM 1443 NE2 GLN A 105 72.234 -1.354 15.004 1.00 0.00 N ATOM 0 H GLN A 105 75.898 -0.120 10.633 1.00 0.00 H new ATOM 0 HA GLN A 105 73.255 -0.865 9.986 1.00 0.00 H new ATOM 0 HB2 GLN A 105 74.656 -1.755 11.816 1.00 0.00 H new ATOM 0 HB3 GLN A 105 74.716 -0.168 12.555 1.00 0.00 H new ATOM 0 HG2 GLN A 105 72.245 -0.229 12.761 1.00 0.00 H new ATOM 0 HG3 GLN A 105 72.271 -1.869 12.143 1.00 0.00 H new ATOM 0 HE21 GLN A 105 71.404 -0.816 14.755 1.00 0.00 H new ATOM 0 HE22 GLN A 105 72.375 -1.658 15.967 1.00 0.00 H new ATOM 1452 N VAL A 106 73.793 2.120 11.212 1.00 0.00 N ATOM 1453 CA VAL A 106 73.277 3.448 11.337 1.00 0.00 C ATOM 1454 C VAL A 106 74.190 4.391 10.563 1.00 0.00 C ATOM 1455 O VAL A 106 75.216 4.833 11.063 1.00 0.00 O ATOM 1456 CB VAL A 106 73.061 3.911 12.822 1.00 0.00 C ATOM 1457 CG1 VAL A 106 71.881 3.179 13.434 1.00 0.00 C ATOM 1458 CG2 VAL A 106 74.305 3.668 13.681 1.00 0.00 C ATOM 0 H VAL A 106 74.763 2.027 11.513 1.00 0.00 H new ATOM 0 HA VAL A 106 72.274 3.466 10.910 1.00 0.00 H new ATOM 0 HB VAL A 106 72.864 4.983 12.801 1.00 0.00 H new ATOM 0 HG11 VAL A 106 71.742 3.509 14.463 1.00 0.00 H new ATOM 0 HG12 VAL A 106 70.981 3.395 12.859 1.00 0.00 H new ATOM 0 HG13 VAL A 106 72.071 2.106 13.420 1.00 0.00 H new ATOM 0 HG21 VAL A 106 74.114 4.002 14.701 1.00 0.00 H new ATOM 0 HG22 VAL A 106 74.542 2.604 13.686 1.00 0.00 H new ATOM 0 HG23 VAL A 106 75.146 4.225 13.269 1.00 0.00 H new ATOM 1468 N PRO A 107 73.871 4.614 9.286 1.00 0.00 N ATOM 1469 CA PRO A 107 74.686 5.414 8.394 1.00 0.00 C ATOM 1470 C PRO A 107 74.487 6.898 8.619 1.00 0.00 C ATOM 1471 O PRO A 107 73.428 7.441 8.197 1.00 0.00 O ATOM 1472 CB PRO A 107 74.209 5.008 6.989 1.00 0.00 C ATOM 1473 CG PRO A 107 73.153 3.969 7.194 1.00 0.00 C ATOM 1474 CD PRO A 107 72.675 4.119 8.601 1.00 0.00 C ATOM 1475 OXT PRO A 107 75.378 7.543 9.192 1.00 0.00 O ATOM 0 HA PRO A 107 75.750 5.240 8.552 1.00 0.00 H new ATOM 0 HB2 PRO A 107 73.811 5.867 6.449 1.00 0.00 H new ATOM 0 HB3 PRO A 107 75.034 4.613 6.396 1.00 0.00 H new ATOM 0 HG2 PRO A 107 72.333 4.106 6.489 1.00 0.00 H new ATOM 0 HG3 PRO A 107 73.555 2.970 7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 107 71.844 4.820 8.676 1.00 0.00 H new ATOM 0 HD3 PRO A 107 72.331 3.172 9.017 1.00 0.00 H new TER 1483 PRO A 107