USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 666 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 60 MET CE :methyl -113:sc= -0.109 (180deg=-0.0321) USER MOD Set 1.2: A 84 CYS SG : rot 180:sc=-0.00504 USER MOD Set 2.1: A 51 ASN : amide:sc= -2.88! C(o=-2.9!,f=-6.5!) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -130:sc= -1.76! USER MOD Single : A 16 GLN : amide:sc= -3.7! C(o=-3.7!,f=-6!) USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.191) USER MOD Single : A 18 ASN : amide:sc= -0.316 K(o=-0.32,f=-2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -16:sc= -0.82! USER MOD Single : A 37 SER OG : rot -168:sc= -1.74 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.408) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -156:sc= -1.3 (180deg=-1.34) USER MOD Single : A 50 GLN : amide:sc= -0.0242 K(o=-0.024,f=-2.4!) USER MOD Single : A 53 THR OG1 : rot -83:sc= -1.61 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -77:sc= 0.591 USER MOD Single : A 80 MET CE :methyl -112:sc= -0.939 (180deg=-3.58!) USER MOD Single : A 81 MET CE :methyl -145:sc= -0.184 (180deg=-2.14!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 88.030 0.438 -3.785 1.00 3.22 N ATOM 2 CA MET A 1 87.958 0.449 -2.294 1.00 2.61 C ATOM 3 C MET A 1 87.866 1.887 -1.780 1.00 2.16 C ATOM 4 O MET A 1 88.695 2.337 -1.015 1.00 2.75 O ATOM 5 CB MET A 1 89.261 -0.204 -1.831 1.00 3.09 C ATOM 6 CG MET A 1 88.942 -1.462 -1.023 1.00 3.96 C ATOM 7 SD MET A 1 90.400 -2.533 -0.973 1.00 4.65 S ATOM 8 CE MET A 1 90.584 -2.580 0.827 1.00 5.42 C ATOM 0 H1 MET A 1 88.092 -0.544 -4.122 1.00 3.22 H new ATOM 0 H2 MET A 1 87.177 0.885 -4.177 1.00 3.22 H new ATOM 0 H3 MET A 1 88.871 0.965 -4.096 1.00 3.22 H new ATOM 0 HA MET A 1 87.081 -0.079 -1.918 1.00 2.61 H new ATOM 0 HB2 MET A 1 89.878 -0.459 -2.692 1.00 3.09 H new ATOM 0 HB3 MET A 1 89.835 0.496 -1.223 1.00 3.09 H new ATOM 0 HG2 MET A 1 88.642 -1.191 -0.011 1.00 3.96 H new ATOM 0 HG3 MET A 1 88.103 -1.993 -1.473 1.00 3.96 H new ATOM 0 HE1 MET A 1 91.442 -3.199 1.089 1.00 5.42 H new ATOM 0 HE2 MET A 1 90.738 -1.569 1.204 1.00 5.42 H new ATOM 0 HE3 MET A 1 89.683 -3.001 1.274 1.00 5.42 H new ATOM 20 N ASP A 2 86.864 2.613 -2.195 1.00 1.80 N ATOM 21 CA ASP A 2 86.720 4.022 -1.729 1.00 1.98 C ATOM 22 C ASP A 2 86.390 4.051 -0.233 1.00 1.58 C ATOM 23 O ASP A 2 87.267 4.108 0.606 1.00 2.28 O ATOM 24 CB ASP A 2 85.562 4.593 -2.545 1.00 2.93 C ATOM 25 CG ASP A 2 85.967 4.675 -4.018 1.00 3.62 C ATOM 26 OD1 ASP A 2 86.702 5.586 -4.360 1.00 4.06 O ATOM 27 OD2 ASP A 2 85.535 3.824 -4.779 1.00 4.19 O ATOM 0 H ASP A 2 86.139 2.292 -2.836 1.00 1.80 H new ATOM 0 HA ASP A 2 87.635 4.598 -1.864 1.00 1.98 H new ATOM 0 HB2 ASP A 2 84.680 3.963 -2.434 1.00 2.93 H new ATOM 0 HB3 ASP A 2 85.295 5.583 -2.175 1.00 2.93 H new ATOM 32 N ASP A 3 85.130 4.011 0.106 1.00 1.09 N ATOM 33 CA ASP A 3 84.745 4.035 1.546 1.00 1.04 C ATOM 34 C ASP A 3 84.608 2.606 2.079 1.00 0.99 C ATOM 35 O ASP A 3 85.120 1.667 1.502 1.00 1.06 O ATOM 36 CB ASP A 3 83.395 4.752 1.582 1.00 1.37 C ATOM 37 CG ASP A 3 83.467 6.018 0.726 1.00 1.89 C ATOM 38 OD1 ASP A 3 83.648 5.888 -0.473 1.00 2.31 O ATOM 39 OD2 ASP A 3 83.338 7.095 1.284 1.00 2.45 O ATOM 0 H ASP A 3 84.351 3.963 -0.551 1.00 1.09 H new ATOM 0 HA ASP A 3 85.489 4.536 2.165 1.00 1.04 H new ATOM 0 HB2 ASP A 3 82.611 4.093 1.210 1.00 1.37 H new ATOM 0 HB3 ASP A 3 83.135 5.009 2.609 1.00 1.37 H new ATOM 44 N ILE A 4 83.922 2.434 3.176 1.00 0.90 N ATOM 45 CA ILE A 4 83.756 1.065 3.742 1.00 0.89 C ATOM 46 C ILE A 4 82.382 0.501 3.371 1.00 0.82 C ATOM 47 O ILE A 4 82.185 -0.697 3.318 1.00 0.85 O ATOM 48 CB ILE A 4 83.875 1.244 5.258 1.00 0.85 C ATOM 49 CG1 ILE A 4 82.595 1.886 5.799 1.00 1.02 C ATOM 50 CG2 ILE A 4 85.068 2.150 5.570 1.00 0.75 C ATOM 51 CD1 ILE A 4 82.643 1.911 7.329 1.00 1.74 C ATOM 0 H ILE A 4 83.470 3.181 3.704 1.00 0.90 H new ATOM 0 HA ILE A 4 84.498 0.366 3.356 1.00 0.89 H new ATOM 0 HB ILE A 4 84.021 0.272 5.728 1.00 0.85 H new ATOM 0 HG12 ILE A 4 82.492 2.899 5.411 1.00 1.02 H new ATOM 0 HG13 ILE A 4 81.723 1.325 5.461 1.00 1.02 H new ATOM 0 HG21 ILE A 4 85.155 2.279 6.649 1.00 0.75 H new ATOM 0 HG22 ILE A 4 85.981 1.696 5.184 1.00 0.75 H new ATOM 0 HG23 ILE A 4 84.920 3.122 5.099 1.00 0.75 H new ATOM 0 HD11 ILE A 4 81.732 2.368 7.714 1.00 1.74 H new ATOM 0 HD12 ILE A 4 82.726 0.892 7.707 1.00 1.74 H new ATOM 0 HD13 ILE A 4 83.506 2.491 7.657 1.00 1.74 H new ATOM 63 N TYR A 5 81.430 1.356 3.114 1.00 0.78 N ATOM 64 CA TYR A 5 80.070 0.867 2.746 1.00 0.78 C ATOM 65 C TYR A 5 80.151 -0.054 1.525 1.00 0.92 C ATOM 66 O TYR A 5 79.621 -1.146 1.523 1.00 0.99 O ATOM 67 CB TYR A 5 79.271 2.127 2.416 1.00 0.78 C ATOM 68 CG TYR A 5 79.114 2.966 3.661 1.00 0.92 C ATOM 69 CD1 TYR A 5 78.013 2.769 4.504 1.00 1.31 C ATOM 70 CD2 TYR A 5 80.070 3.939 3.973 1.00 1.77 C ATOM 71 CE1 TYR A 5 77.869 3.547 5.659 1.00 1.36 C ATOM 72 CE2 TYR A 5 79.925 4.717 5.129 1.00 2.00 C ATOM 73 CZ TYR A 5 78.824 4.521 5.971 1.00 1.35 C ATOM 74 OH TYR A 5 78.682 5.287 7.110 1.00 1.60 O ATOM 0 H TYR A 5 81.534 2.370 3.143 1.00 0.78 H new ATOM 0 HA TYR A 5 79.608 0.291 3.547 1.00 0.78 H new ATOM 0 HB2 TYR A 5 79.780 2.700 1.641 1.00 0.78 H new ATOM 0 HB3 TYR A 5 78.292 1.856 2.022 1.00 0.78 H new ATOM 0 HD1 TYR A 5 77.276 2.017 4.263 1.00 1.31 H new ATOM 0 HD2 TYR A 5 80.919 4.090 3.323 1.00 1.77 H new ATOM 0 HE1 TYR A 5 77.020 3.395 6.310 1.00 1.36 H new ATOM 0 HE2 TYR A 5 80.663 5.468 5.371 1.00 2.00 H new ATOM 0 HH TYR A 5 79.432 5.914 7.178 1.00 1.60 H new ATOM 84 N LYS A 6 80.811 0.381 0.485 1.00 1.02 N ATOM 85 CA LYS A 6 80.927 -0.469 -0.736 1.00 1.19 C ATOM 86 C LYS A 6 81.204 -1.922 -0.345 1.00 1.15 C ATOM 87 O LYS A 6 80.754 -2.847 -0.992 1.00 1.19 O ATOM 88 CB LYS A 6 82.108 0.115 -1.512 1.00 1.38 C ATOM 89 CG LYS A 6 82.380 -0.741 -2.751 1.00 1.86 C ATOM 90 CD LYS A 6 82.512 0.164 -3.977 1.00 1.94 C ATOM 91 CE LYS A 6 81.153 0.786 -4.303 1.00 2.16 C ATOM 92 NZ LYS A 6 81.468 2.012 -5.087 1.00 2.91 N ATOM 0 H LYS A 6 81.275 1.288 0.428 1.00 1.02 H new ATOM 0 HA LYS A 6 80.012 -0.471 -1.328 1.00 1.19 H new ATOM 0 HB2 LYS A 6 81.891 1.142 -1.807 1.00 1.38 H new ATOM 0 HB3 LYS A 6 82.994 0.146 -0.877 1.00 1.38 H new ATOM 0 HG2 LYS A 6 83.293 -1.320 -2.613 1.00 1.86 H new ATOM 0 HG3 LYS A 6 81.569 -1.455 -2.898 1.00 1.86 H new ATOM 0 HD2 LYS A 6 83.246 0.947 -3.786 1.00 1.94 H new ATOM 0 HD3 LYS A 6 82.874 -0.411 -4.829 1.00 1.94 H new ATOM 0 HE2 LYS A 6 80.532 0.099 -4.878 1.00 2.16 H new ATOM 0 HE3 LYS A 6 80.602 1.029 -3.394 1.00 2.16 H new ATOM 0 HZ1 LYS A 6 80.584 2.494 -5.348 1.00 2.91 H new ATOM 0 HZ2 LYS A 6 82.054 2.651 -4.512 1.00 2.91 H new ATOM 0 HZ3 LYS A 6 81.986 1.749 -5.950 1.00 2.91 H new ATOM 106 N ALA A 7 81.940 -2.132 0.713 1.00 1.13 N ATOM 107 CA ALA A 7 82.242 -3.527 1.146 1.00 1.14 C ATOM 108 C ALA A 7 80.942 -4.272 1.460 1.00 1.06 C ATOM 109 O ALA A 7 80.834 -5.465 1.260 1.00 1.10 O ATOM 110 CB ALA A 7 83.092 -3.374 2.407 1.00 1.20 C ATOM 0 H ALA A 7 82.345 -1.399 1.296 1.00 1.13 H new ATOM 0 HA ALA A 7 82.758 -4.099 0.375 1.00 1.14 H new ATOM 0 HB1 ALA A 7 83.357 -4.360 2.789 1.00 1.20 H new ATOM 0 HB2 ALA A 7 84.001 -2.821 2.168 1.00 1.20 H new ATOM 0 HB3 ALA A 7 82.526 -2.832 3.164 1.00 1.20 H new ATOM 116 N ALA A 8 79.953 -3.574 1.949 1.00 0.99 N ATOM 117 CA ALA A 8 78.659 -4.239 2.275 1.00 0.95 C ATOM 118 C ALA A 8 78.171 -5.057 1.077 1.00 0.95 C ATOM 119 O ALA A 8 77.978 -6.253 1.167 1.00 1.02 O ATOM 120 CB ALA A 8 77.691 -3.095 2.576 1.00 0.91 C ATOM 0 H ALA A 8 79.985 -2.572 2.137 1.00 0.99 H new ATOM 0 HA ALA A 8 78.747 -4.928 3.115 1.00 0.95 H new ATOM 0 HB1 ALA A 8 76.712 -3.503 2.826 1.00 0.91 H new ATOM 0 HB2 ALA A 8 78.067 -2.512 3.417 1.00 0.91 H new ATOM 0 HB3 ALA A 8 77.603 -2.453 1.700 1.00 0.91 H new ATOM 126 N VAL A 9 77.970 -4.421 -0.045 1.00 0.97 N ATOM 127 CA VAL A 9 77.496 -5.164 -1.247 1.00 1.07 C ATOM 128 C VAL A 9 78.555 -6.176 -1.691 1.00 1.16 C ATOM 129 O VAL A 9 78.246 -7.202 -2.264 1.00 1.18 O ATOM 130 CB VAL A 9 77.291 -4.096 -2.321 1.00 1.21 C ATOM 131 CG1 VAL A 9 76.545 -4.703 -3.510 1.00 1.89 C ATOM 132 CG2 VAL A 9 76.470 -2.943 -1.740 1.00 1.49 C ATOM 0 H VAL A 9 78.113 -3.420 -0.181 1.00 0.97 H new ATOM 0 HA VAL A 9 76.581 -5.724 -1.052 1.00 1.07 H new ATOM 0 HB VAL A 9 78.260 -3.724 -2.653 1.00 1.21 H new ATOM 0 HG11 VAL A 9 76.399 -3.941 -4.276 1.00 1.89 H new ATOM 0 HG12 VAL A 9 77.128 -5.526 -3.924 1.00 1.89 H new ATOM 0 HG13 VAL A 9 75.575 -5.075 -3.179 1.00 1.89 H new ATOM 0 HG21 VAL A 9 76.323 -2.180 -2.504 1.00 1.49 H new ATOM 0 HG22 VAL A 9 75.501 -3.317 -1.409 1.00 1.49 H new ATOM 0 HG23 VAL A 9 77.001 -2.510 -0.892 1.00 1.49 H new ATOM 142 N GLU A 10 79.803 -5.896 -1.430 1.00 1.28 N ATOM 143 CA GLU A 10 80.881 -6.843 -1.834 1.00 1.44 C ATOM 144 C GLU A 10 80.624 -8.225 -1.229 1.00 1.41 C ATOM 145 O GLU A 10 81.075 -9.231 -1.739 1.00 1.54 O ATOM 146 CB GLU A 10 82.169 -6.241 -1.270 1.00 1.68 C ATOM 147 CG GLU A 10 83.109 -5.873 -2.419 1.00 2.16 C ATOM 148 CD GLU A 10 84.559 -6.062 -1.973 1.00 2.64 C ATOM 149 OE1 GLU A 10 85.046 -7.177 -2.064 1.00 3.13 O ATOM 150 OE2 GLU A 10 85.159 -5.088 -1.549 1.00 3.13 O ATOM 0 H GLU A 10 80.123 -5.052 -0.954 1.00 1.28 H new ATOM 0 HA GLU A 10 80.932 -6.974 -2.915 1.00 1.44 H new ATOM 0 HB2 GLU A 10 81.939 -5.356 -0.677 1.00 1.68 H new ATOM 0 HB3 GLU A 10 82.654 -6.954 -0.604 1.00 1.68 H new ATOM 0 HG2 GLU A 10 82.900 -6.497 -3.288 1.00 2.16 H new ATOM 0 HG3 GLU A 10 82.943 -4.839 -2.722 1.00 2.16 H new ATOM 157 N GLN A 11 79.900 -8.281 -0.144 1.00 1.37 N ATOM 158 CA GLN A 11 79.613 -9.598 0.494 1.00 1.43 C ATOM 159 C GLN A 11 78.320 -10.190 -0.074 1.00 1.24 C ATOM 160 O GLN A 11 78.234 -11.370 -0.348 1.00 1.31 O ATOM 161 CB GLN A 11 79.452 -9.289 1.982 1.00 1.58 C ATOM 162 CG GLN A 11 80.770 -8.748 2.536 1.00 1.88 C ATOM 163 CD GLN A 11 80.685 -8.654 4.061 1.00 2.09 C ATOM 164 OE1 GLN A 11 79.879 -7.915 4.591 1.00 2.64 O ATOM 165 NE2 GLN A 11 81.487 -9.377 4.794 1.00 2.48 N ATOM 0 H GLN A 11 79.495 -7.472 0.328 1.00 1.37 H new ATOM 0 HA GLN A 11 80.403 -10.327 0.312 1.00 1.43 H new ATOM 0 HB2 GLN A 11 78.656 -8.558 2.129 1.00 1.58 H new ATOM 0 HB3 GLN A 11 79.161 -10.190 2.522 1.00 1.58 H new ATOM 0 HG2 GLN A 11 81.593 -9.401 2.247 1.00 1.88 H new ATOM 0 HG3 GLN A 11 80.979 -7.766 2.112 1.00 1.88 H new ATOM 0 HE21 GLN A 11 82.164 -9.997 4.350 1.00 2.48 H new ATOM 0 HE22 GLN A 11 81.437 -9.322 5.811 1.00 2.48 H new ATOM 174 N LEU A 12 77.313 -9.379 -0.253 1.00 1.24 N ATOM 175 CA LEU A 12 76.029 -9.897 -0.804 1.00 1.13 C ATOM 176 C LEU A 12 76.280 -10.640 -2.118 1.00 1.02 C ATOM 177 O LEU A 12 77.158 -10.290 -2.881 1.00 1.28 O ATOM 178 CB LEU A 12 75.170 -8.654 -1.044 1.00 1.12 C ATOM 179 CG LEU A 12 74.679 -8.105 0.296 1.00 1.28 C ATOM 180 CD1 LEU A 12 74.161 -6.678 0.106 1.00 2.02 C ATOM 181 CD2 LEU A 12 73.548 -8.991 0.826 1.00 1.49 C ATOM 0 H LEU A 12 77.324 -8.381 -0.042 1.00 1.24 H new ATOM 0 HA LEU A 12 75.544 -10.602 -0.129 1.00 1.13 H new ATOM 0 HB2 LEU A 12 75.749 -7.895 -1.569 1.00 1.12 H new ATOM 0 HB3 LEU A 12 74.321 -8.904 -1.680 1.00 1.12 H new ATOM 0 HG LEU A 12 75.503 -8.100 1.009 1.00 1.28 H new ATOM 0 HD11 LEU A 12 73.811 -6.288 1.062 1.00 2.02 H new ATOM 0 HD12 LEU A 12 74.965 -6.046 -0.272 1.00 2.02 H new ATOM 0 HD13 LEU A 12 73.337 -6.682 -0.608 1.00 2.02 H new ATOM 0 HD21 LEU A 12 73.197 -8.601 1.781 1.00 1.49 H new ATOM 0 HD22 LEU A 12 72.725 -8.996 0.112 1.00 1.49 H new ATOM 0 HD23 LEU A 12 73.916 -10.008 0.963 1.00 1.49 H new ATOM 193 N THR A 13 75.517 -11.663 -2.387 1.00 0.93 N ATOM 194 CA THR A 13 75.715 -12.427 -3.652 1.00 0.93 C ATOM 195 C THR A 13 74.585 -12.117 -4.637 1.00 0.88 C ATOM 196 O THR A 13 73.579 -11.536 -4.282 1.00 0.86 O ATOM 197 CB THR A 13 75.678 -13.899 -3.236 1.00 1.03 C ATOM 198 OG1 THR A 13 74.336 -14.281 -2.967 1.00 1.13 O ATOM 199 CG2 THR A 13 76.529 -14.098 -1.980 1.00 1.20 C ATOM 0 H THR A 13 74.766 -12.003 -1.787 1.00 0.93 H new ATOM 0 HA THR A 13 76.650 -12.169 -4.150 1.00 0.93 H new ATOM 0 HB THR A 13 76.076 -14.514 -4.043 1.00 1.03 H new ATOM 0 HG1 THR A 13 74.292 -14.731 -2.097 1.00 1.13 H new ATOM 0 HG21 THR A 13 76.502 -15.147 -1.685 1.00 1.20 H new ATOM 0 HG22 THR A 13 77.558 -13.806 -2.188 1.00 1.20 H new ATOM 0 HG23 THR A 13 76.134 -13.483 -1.171 1.00 1.20 H new ATOM 207 N GLU A 14 74.743 -12.499 -5.876 1.00 0.88 N ATOM 208 CA GLU A 14 73.678 -12.223 -6.882 1.00 0.87 C ATOM 209 C GLU A 14 72.364 -12.887 -6.461 1.00 0.82 C ATOM 210 O GLU A 14 71.312 -12.282 -6.501 1.00 0.79 O ATOM 211 CB GLU A 14 74.194 -12.835 -8.185 1.00 0.99 C ATOM 212 CG GLU A 14 73.478 -12.188 -9.372 1.00 1.98 C ATOM 213 CD GLU A 14 74.239 -12.500 -10.661 1.00 2.36 C ATOM 214 OE1 GLU A 14 74.168 -13.633 -11.108 1.00 2.36 O ATOM 215 OE2 GLU A 14 74.879 -11.601 -11.181 1.00 3.17 O ATOM 0 H GLU A 14 75.562 -12.990 -6.234 1.00 0.88 H new ATOM 0 HA GLU A 14 73.475 -11.157 -6.984 1.00 0.87 H new ATOM 0 HB2 GLU A 14 75.270 -12.683 -8.269 1.00 0.99 H new ATOM 0 HB3 GLU A 14 74.023 -13.911 -8.186 1.00 0.99 H new ATOM 0 HG2 GLU A 14 72.456 -12.562 -9.441 1.00 1.98 H new ATOM 0 HG3 GLU A 14 73.414 -11.110 -9.227 1.00 1.98 H new ATOM 222 N GLU A 15 72.418 -14.127 -6.061 1.00 0.85 N ATOM 223 CA GLU A 15 71.171 -14.828 -5.640 1.00 0.84 C ATOM 224 C GLU A 15 70.562 -14.137 -4.416 1.00 0.76 C ATOM 225 O GLU A 15 69.359 -14.090 -4.252 1.00 0.70 O ATOM 226 CB GLU A 15 71.615 -16.249 -5.288 1.00 0.92 C ATOM 227 CG GLU A 15 70.714 -17.257 -6.004 1.00 1.49 C ATOM 228 CD GLU A 15 71.063 -18.672 -5.540 1.00 1.88 C ATOM 229 OE1 GLU A 15 71.707 -18.795 -4.510 1.00 2.62 O ATOM 230 OE2 GLU A 15 70.681 -19.609 -6.222 1.00 2.07 O ATOM 0 H GLU A 15 73.270 -14.685 -6.007 1.00 0.85 H new ATOM 0 HA GLU A 15 70.410 -14.820 -6.420 1.00 0.84 H new ATOM 0 HB2 GLU A 15 72.654 -16.400 -5.582 1.00 0.92 H new ATOM 0 HB3 GLU A 15 71.564 -16.401 -4.210 1.00 0.92 H new ATOM 0 HG2 GLU A 15 69.667 -17.041 -5.791 1.00 1.49 H new ATOM 0 HG3 GLU A 15 70.843 -17.174 -7.083 1.00 1.49 H new ATOM 237 N GLN A 16 71.384 -13.600 -3.557 1.00 0.79 N ATOM 238 CA GLN A 16 70.854 -12.911 -2.349 1.00 0.74 C ATOM 239 C GLN A 16 70.494 -11.460 -2.696 1.00 0.68 C ATOM 240 O GLN A 16 69.639 -10.858 -2.078 1.00 0.67 O ATOM 241 CB GLN A 16 72.006 -12.993 -1.330 1.00 0.79 C ATOM 242 CG GLN A 16 72.133 -11.686 -0.542 1.00 0.88 C ATOM 243 CD GLN A 16 72.702 -11.978 0.847 1.00 1.70 C ATOM 244 OE1 GLN A 16 73.902 -12.076 1.016 1.00 2.53 O ATOM 245 NE2 GLN A 16 71.887 -12.123 1.856 1.00 2.20 N ATOM 0 H GLN A 16 72.401 -13.609 -3.640 1.00 0.79 H new ATOM 0 HA GLN A 16 69.943 -13.361 -1.955 1.00 0.74 H new ATOM 0 HB2 GLN A 16 71.831 -13.821 -0.643 1.00 0.79 H new ATOM 0 HB3 GLN A 16 72.942 -13.202 -1.849 1.00 0.79 H new ATOM 0 HG2 GLN A 16 72.783 -10.991 -1.074 1.00 0.88 H new ATOM 0 HG3 GLN A 16 71.158 -11.207 -0.453 1.00 0.88 H new ATOM 0 HE21 GLN A 16 70.880 -12.041 1.714 1.00 2.20 H new ATOM 0 HE22 GLN A 16 72.257 -12.319 2.786 1.00 2.20 H new ATOM 254 N LYS A 17 71.142 -10.897 -3.679 1.00 0.69 N ATOM 255 CA LYS A 17 70.836 -9.489 -4.064 1.00 0.68 C ATOM 256 C LYS A 17 69.628 -9.447 -5.003 1.00 0.62 C ATOM 257 O LYS A 17 68.957 -8.442 -5.123 1.00 0.57 O ATOM 258 CB LYS A 17 72.091 -8.994 -4.782 1.00 0.79 C ATOM 259 CG LYS A 17 73.164 -8.644 -3.750 1.00 1.01 C ATOM 260 CD LYS A 17 74.233 -7.765 -4.402 1.00 1.53 C ATOM 261 CE LYS A 17 75.211 -8.645 -5.183 1.00 1.70 C ATOM 262 NZ LYS A 17 76.327 -7.733 -5.564 1.00 2.33 N ATOM 0 H LYS A 17 71.869 -11.350 -4.232 1.00 0.69 H new ATOM 0 HA LYS A 17 70.588 -8.870 -3.202 1.00 0.68 H new ATOM 0 HB2 LYS A 17 72.461 -9.762 -5.461 1.00 0.79 H new ATOM 0 HB3 LYS A 17 71.855 -8.119 -5.388 1.00 0.79 H new ATOM 0 HG2 LYS A 17 72.714 -8.122 -2.905 1.00 1.01 H new ATOM 0 HG3 LYS A 17 73.617 -9.555 -3.358 1.00 1.01 H new ATOM 0 HD2 LYS A 17 73.766 -7.041 -5.070 1.00 1.53 H new ATOM 0 HD3 LYS A 17 74.767 -7.198 -3.640 1.00 1.53 H new ATOM 0 HE2 LYS A 17 75.569 -9.475 -4.574 1.00 1.70 H new ATOM 0 HE3 LYS A 17 74.736 -9.078 -6.064 1.00 1.70 H new ATOM 0 HZ1 LYS A 17 76.924 -8.195 -6.280 1.00 2.33 H new ATOM 0 HZ2 LYS A 17 75.937 -6.851 -5.954 1.00 2.33 H new ATOM 0 HZ3 LYS A 17 76.900 -7.516 -4.724 1.00 2.33 H new ATOM 276 N ASN A 18 69.344 -10.534 -5.669 1.00 0.65 N ATOM 277 CA ASN A 18 68.179 -10.554 -6.600 1.00 0.64 C ATOM 278 C ASN A 18 66.880 -10.316 -5.824 1.00 0.58 C ATOM 279 O ASN A 18 65.965 -9.680 -6.309 1.00 0.56 O ATOM 280 CB ASN A 18 68.188 -11.953 -7.218 1.00 0.73 C ATOM 281 CG ASN A 18 68.707 -11.872 -8.654 1.00 0.91 C ATOM 282 OD1 ASN A 18 68.527 -10.874 -9.322 1.00 1.55 O ATOM 283 ND2 ASN A 18 69.348 -12.890 -9.161 1.00 1.35 N ATOM 0 H ASN A 18 69.867 -11.407 -5.609 1.00 0.65 H new ATOM 0 HA ASN A 18 68.243 -9.775 -7.359 1.00 0.64 H new ATOM 0 HB2 ASN A 18 68.819 -12.618 -6.629 1.00 0.73 H new ATOM 0 HB3 ASN A 18 67.183 -12.374 -7.206 1.00 0.73 H new ATOM 0 HD21 ASN A 18 69.698 -12.847 -10.118 1.00 1.35 H new ATOM 0 HD22 ASN A 18 69.499 -13.728 -8.600 1.00 1.35 H new ATOM 290 N GLU A 19 66.792 -10.820 -4.624 1.00 0.62 N ATOM 291 CA GLU A 19 65.552 -10.619 -3.822 1.00 0.64 C ATOM 292 C GLU A 19 65.126 -9.150 -3.872 1.00 0.58 C ATOM 293 O GLU A 19 63.998 -8.830 -4.191 1.00 0.61 O ATOM 294 CB GLU A 19 65.931 -11.020 -2.396 1.00 0.75 C ATOM 295 CG GLU A 19 64.702 -11.585 -1.681 1.00 1.47 C ATOM 296 CD GLU A 19 64.245 -12.865 -2.385 1.00 2.01 C ATOM 297 OE1 GLU A 19 65.035 -13.422 -3.129 1.00 2.64 O ATOM 298 OE2 GLU A 19 63.113 -13.265 -2.169 1.00 2.50 O ATOM 0 H GLU A 19 67.524 -11.362 -4.164 1.00 0.62 H new ATOM 0 HA GLU A 19 64.715 -11.207 -4.200 1.00 0.64 H new ATOM 0 HB2 GLU A 19 66.727 -11.764 -2.416 1.00 0.75 H new ATOM 0 HB3 GLU A 19 66.315 -10.156 -1.854 1.00 0.75 H new ATOM 0 HG2 GLU A 19 64.940 -11.796 -0.638 1.00 1.47 H new ATOM 0 HG3 GLU A 19 63.897 -10.850 -1.682 1.00 1.47 H new ATOM 305 N PHE A 20 66.022 -8.252 -3.561 1.00 0.58 N ATOM 306 CA PHE A 20 65.667 -6.804 -3.596 1.00 0.59 C ATOM 307 C PHE A 20 65.267 -6.397 -5.015 1.00 0.53 C ATOM 308 O PHE A 20 64.305 -5.685 -5.219 1.00 0.54 O ATOM 309 CB PHE A 20 66.939 -6.071 -3.169 1.00 0.67 C ATOM 310 CG PHE A 20 67.052 -6.092 -1.663 1.00 1.04 C ATOM 311 CD1 PHE A 20 65.931 -5.815 -0.872 1.00 1.87 C ATOM 312 CD2 PHE A 20 68.279 -6.390 -1.058 1.00 1.85 C ATOM 313 CE1 PHE A 20 66.037 -5.835 0.523 1.00 2.57 C ATOM 314 CE2 PHE A 20 68.385 -6.410 0.337 1.00 2.52 C ATOM 315 CZ PHE A 20 67.264 -6.132 1.128 1.00 2.67 C ATOM 0 H PHE A 20 66.982 -8.458 -3.285 1.00 0.58 H new ATOM 0 HA PHE A 20 64.825 -6.569 -2.945 1.00 0.59 H new ATOM 0 HB2 PHE A 20 67.812 -6.546 -3.616 1.00 0.67 H new ATOM 0 HB3 PHE A 20 66.916 -5.042 -3.528 1.00 0.67 H new ATOM 0 HD1 PHE A 20 64.984 -5.586 -1.338 1.00 1.87 H new ATOM 0 HD2 PHE A 20 69.144 -6.604 -1.668 1.00 1.85 H new ATOM 0 HE1 PHE A 20 65.172 -5.621 1.133 1.00 2.57 H new ATOM 0 HE2 PHE A 20 69.332 -6.640 0.803 1.00 2.52 H new ATOM 0 HZ PHE A 20 67.346 -6.147 2.205 1.00 2.67 H new ATOM 325 N LYS A 21 65.998 -6.846 -5.999 1.00 0.53 N ATOM 326 CA LYS A 21 65.658 -6.486 -7.403 1.00 0.53 C ATOM 327 C LYS A 21 64.177 -6.766 -7.676 1.00 0.50 C ATOM 328 O LYS A 21 63.496 -5.990 -8.317 1.00 0.63 O ATOM 329 CB LYS A 21 66.545 -7.383 -8.268 1.00 0.61 C ATOM 330 CG LYS A 21 66.627 -6.810 -9.684 1.00 0.68 C ATOM 331 CD LYS A 21 67.126 -7.891 -10.645 1.00 1.26 C ATOM 332 CE LYS A 21 66.393 -7.764 -11.982 1.00 1.85 C ATOM 333 NZ LYS A 21 67.164 -8.619 -12.927 1.00 1.94 N ATOM 0 H LYS A 21 66.815 -7.446 -5.890 1.00 0.53 H new ATOM 0 HA LYS A 21 65.824 -5.429 -7.611 1.00 0.53 H new ATOM 0 HB2 LYS A 21 67.543 -7.452 -7.834 1.00 0.61 H new ATOM 0 HB3 LYS A 21 66.139 -8.394 -8.297 1.00 0.61 H new ATOM 0 HG2 LYS A 21 65.647 -6.452 -10.000 1.00 0.68 H new ATOM 0 HG3 LYS A 21 67.301 -5.953 -9.702 1.00 0.68 H new ATOM 0 HD2 LYS A 21 68.201 -7.790 -10.796 1.00 1.26 H new ATOM 0 HD3 LYS A 21 66.956 -8.879 -10.217 1.00 1.26 H new ATOM 0 HE2 LYS A 21 65.359 -8.100 -11.899 1.00 1.85 H new ATOM 0 HE3 LYS A 21 66.365 -6.728 -12.320 1.00 1.85 H new ATOM 0 HZ1 LYS A 21 66.722 -8.583 -13.867 1.00 1.94 H new ATOM 0 HZ2 LYS A 21 68.142 -8.271 -12.991 1.00 1.94 H new ATOM 0 HZ3 LYS A 21 67.168 -9.601 -12.583 1.00 1.94 H new ATOM 347 N ALA A 22 63.674 -7.868 -7.191 1.00 0.51 N ATOM 348 CA ALA A 22 62.238 -8.196 -7.421 1.00 0.60 C ATOM 349 C ALA A 22 61.349 -7.365 -6.492 1.00 0.51 C ATOM 350 O ALA A 22 60.138 -7.399 -6.582 1.00 0.50 O ATOM 351 CB ALA A 22 62.114 -9.685 -7.093 1.00 0.76 C ATOM 0 H ALA A 22 64.195 -8.555 -6.646 1.00 0.51 H new ATOM 0 HA ALA A 22 61.923 -7.976 -8.441 1.00 0.60 H new ATOM 0 HB1 ALA A 22 61.082 -10.005 -7.238 1.00 0.76 H new ATOM 0 HB2 ALA A 22 62.768 -10.258 -7.751 1.00 0.76 H new ATOM 0 HB3 ALA A 22 62.404 -9.855 -6.056 1.00 0.76 H new ATOM 357 N ALA A 23 61.940 -6.618 -5.599 1.00 0.51 N ATOM 358 CA ALA A 23 61.125 -5.787 -4.666 1.00 0.47 C ATOM 359 C ALA A 23 61.473 -4.306 -4.837 1.00 0.43 C ATOM 360 O ALA A 23 60.760 -3.435 -4.380 1.00 0.46 O ATOM 361 CB ALA A 23 61.510 -6.271 -3.267 1.00 0.58 C ATOM 0 H ALA A 23 62.950 -6.547 -5.475 1.00 0.51 H new ATOM 0 HA ALA A 23 60.055 -5.885 -4.851 1.00 0.47 H new ATOM 0 HB1 ALA A 23 60.951 -5.707 -2.520 1.00 0.58 H new ATOM 0 HB2 ALA A 23 61.275 -7.331 -3.171 1.00 0.58 H new ATOM 0 HB3 ALA A 23 62.578 -6.121 -3.111 1.00 0.58 H new ATOM 367 N PHE A 24 62.563 -4.014 -5.492 1.00 0.54 N ATOM 368 CA PHE A 24 62.955 -2.589 -5.692 1.00 0.56 C ATOM 369 C PHE A 24 62.393 -2.067 -7.017 1.00 0.56 C ATOM 370 O PHE A 24 61.820 -0.998 -7.081 1.00 0.60 O ATOM 371 CB PHE A 24 64.484 -2.602 -5.725 1.00 0.66 C ATOM 372 CG PHE A 24 64.992 -1.252 -6.170 1.00 0.60 C ATOM 373 CD1 PHE A 24 64.960 -0.166 -5.287 1.00 1.45 C ATOM 374 CD2 PHE A 24 65.496 -1.087 -7.465 1.00 1.24 C ATOM 375 CE1 PHE A 24 65.432 1.087 -5.700 1.00 1.61 C ATOM 376 CE2 PHE A 24 65.967 0.166 -7.878 1.00 1.24 C ATOM 377 CZ PHE A 24 65.936 1.252 -6.996 1.00 0.94 C ATOM 0 H PHE A 24 63.200 -4.700 -5.898 1.00 0.54 H new ATOM 0 HA PHE A 24 62.569 -1.939 -4.907 1.00 0.56 H new ATOM 0 HB2 PHE A 24 64.877 -2.842 -4.737 1.00 0.66 H new ATOM 0 HB3 PHE A 24 64.837 -3.377 -6.406 1.00 0.66 H new ATOM 0 HD1 PHE A 24 64.571 -0.294 -4.287 1.00 1.45 H new ATOM 0 HD2 PHE A 24 65.522 -1.925 -8.146 1.00 1.24 H new ATOM 0 HE1 PHE A 24 65.407 1.925 -5.019 1.00 1.61 H new ATOM 0 HE2 PHE A 24 66.354 0.294 -8.878 1.00 1.24 H new ATOM 0 HZ PHE A 24 66.301 2.217 -7.315 1.00 0.94 H new ATOM 387 N ASP A 25 62.554 -2.814 -8.075 1.00 0.58 N ATOM 388 CA ASP A 25 62.030 -2.360 -9.395 1.00 0.64 C ATOM 389 C ASP A 25 60.513 -2.158 -9.323 1.00 0.66 C ATOM 390 O ASP A 25 59.917 -1.543 -10.184 1.00 0.76 O ATOM 391 CB ASP A 25 62.373 -3.490 -10.367 1.00 0.68 C ATOM 392 CG ASP A 25 63.855 -3.408 -10.739 1.00 1.05 C ATOM 393 OD1 ASP A 25 64.644 -3.057 -9.878 1.00 1.78 O ATOM 394 OD2 ASP A 25 64.175 -3.699 -11.880 1.00 1.58 O ATOM 0 H ASP A 25 63.025 -3.719 -8.083 1.00 0.58 H new ATOM 0 HA ASP A 25 62.463 -1.409 -9.705 1.00 0.64 H new ATOM 0 HB2 ASP A 25 62.154 -4.456 -9.911 1.00 0.68 H new ATOM 0 HB3 ASP A 25 61.757 -3.413 -11.263 1.00 0.68 H new ATOM 399 N ILE A 26 59.884 -2.674 -8.301 1.00 0.61 N ATOM 400 CA ILE A 26 58.407 -2.513 -8.176 1.00 0.67 C ATOM 401 C ILE A 26 58.057 -1.064 -7.823 1.00 0.73 C ATOM 402 O ILE A 26 56.901 -0.701 -7.737 1.00 0.99 O ATOM 403 CB ILE A 26 58.006 -3.453 -7.044 1.00 0.70 C ATOM 404 CG1 ILE A 26 58.170 -4.900 -7.515 1.00 0.66 C ATOM 405 CG2 ILE A 26 56.545 -3.198 -6.664 1.00 0.83 C ATOM 406 CD1 ILE A 26 57.471 -5.838 -6.532 1.00 0.84 C ATOM 0 H ILE A 26 60.329 -3.199 -7.548 1.00 0.61 H new ATOM 0 HA ILE A 26 57.885 -2.744 -9.105 1.00 0.67 H new ATOM 0 HB ILE A 26 58.639 -3.277 -6.175 1.00 0.70 H new ATOM 0 HG12 ILE A 26 57.746 -5.019 -8.512 1.00 0.66 H new ATOM 0 HG13 ILE A 26 59.228 -5.153 -7.586 1.00 0.66 H new ATOM 0 HG21 ILE A 26 56.257 -3.869 -5.855 1.00 0.83 H new ATOM 0 HG22 ILE A 26 56.429 -2.165 -6.337 1.00 0.83 H new ATOM 0 HG23 ILE A 26 55.907 -3.378 -7.529 1.00 0.83 H new ATOM 0 HD11 ILE A 26 57.588 -6.869 -6.867 1.00 0.84 H new ATOM 0 HD12 ILE A 26 57.915 -5.725 -5.543 1.00 0.84 H new ATOM 0 HD13 ILE A 26 56.411 -5.590 -6.484 1.00 0.84 H new ATOM 418 N PHE A 27 59.043 -0.235 -7.619 1.00 0.57 N ATOM 419 CA PHE A 27 58.760 1.188 -7.272 1.00 0.63 C ATOM 420 C PHE A 27 59.793 2.111 -7.924 1.00 0.59 C ATOM 421 O PHE A 27 60.148 3.140 -7.384 1.00 0.67 O ATOM 422 CB PHE A 27 58.867 1.253 -5.748 1.00 0.70 C ATOM 423 CG PHE A 27 57.839 0.335 -5.132 1.00 0.67 C ATOM 424 CD1 PHE A 27 56.479 0.662 -5.198 1.00 1.44 C ATOM 425 CD2 PHE A 27 58.246 -0.844 -4.495 1.00 1.17 C ATOM 426 CE1 PHE A 27 55.526 -0.190 -4.628 1.00 1.65 C ATOM 427 CE2 PHE A 27 57.292 -1.695 -3.924 1.00 1.20 C ATOM 428 CZ PHE A 27 55.932 -1.368 -3.990 1.00 1.09 C ATOM 0 H PHE A 27 60.031 -0.480 -7.677 1.00 0.57 H new ATOM 0 HA PHE A 27 57.781 1.511 -7.626 1.00 0.63 H new ATOM 0 HB2 PHE A 27 59.868 0.961 -5.430 1.00 0.70 H new ATOM 0 HB3 PHE A 27 58.709 2.275 -5.405 1.00 0.70 H new ATOM 0 HD1 PHE A 27 56.165 1.572 -5.689 1.00 1.44 H new ATOM 0 HD2 PHE A 27 59.295 -1.097 -4.444 1.00 1.17 H new ATOM 0 HE1 PHE A 27 54.477 0.062 -4.680 1.00 1.65 H new ATOM 0 HE2 PHE A 27 57.605 -2.604 -3.432 1.00 1.20 H new ATOM 0 HZ PHE A 27 55.197 -2.024 -3.549 1.00 1.09 H new ATOM 438 N VAL A 28 60.275 1.753 -9.082 1.00 0.58 N ATOM 439 CA VAL A 28 61.282 2.613 -9.768 1.00 0.59 C ATOM 440 C VAL A 28 60.606 3.444 -10.861 1.00 0.64 C ATOM 441 O VAL A 28 61.226 3.840 -11.829 1.00 0.73 O ATOM 442 CB VAL A 28 62.284 1.637 -10.381 1.00 0.60 C ATOM 443 CG1 VAL A 28 63.362 2.420 -11.131 1.00 1.41 C ATOM 444 CG2 VAL A 28 62.936 0.813 -9.269 1.00 1.37 C ATOM 0 H VAL A 28 60.016 0.903 -9.583 1.00 0.58 H new ATOM 0 HA VAL A 28 61.762 3.314 -9.085 1.00 0.59 H new ATOM 0 HB VAL A 28 61.768 0.972 -11.073 1.00 0.60 H new ATOM 0 HG11 VAL A 28 64.078 1.725 -11.569 1.00 1.41 H new ATOM 0 HG12 VAL A 28 62.899 3.010 -11.922 1.00 1.41 H new ATOM 0 HG13 VAL A 28 63.878 3.084 -10.438 1.00 1.41 H new ATOM 0 HG21 VAL A 28 63.652 0.116 -9.705 1.00 1.37 H new ATOM 0 HG22 VAL A 28 63.453 1.479 -8.578 1.00 1.37 H new ATOM 0 HG23 VAL A 28 62.169 0.256 -8.731 1.00 1.37 H new ATOM 454 N LEU A 29 59.339 3.708 -10.713 1.00 0.75 N ATOM 455 CA LEU A 29 58.620 4.511 -11.743 1.00 0.91 C ATOM 456 C LEU A 29 59.476 5.701 -12.185 1.00 1.10 C ATOM 457 O LEU A 29 59.491 6.737 -11.550 1.00 1.54 O ATOM 458 CB LEU A 29 57.346 4.995 -11.049 1.00 1.17 C ATOM 459 CG LEU A 29 57.710 5.664 -9.723 1.00 1.49 C ATOM 460 CD1 LEU A 29 57.579 7.181 -9.863 1.00 2.09 C ATOM 461 CD2 LEU A 29 56.763 5.170 -8.626 1.00 1.73 C ATOM 0 H LEU A 29 58.769 3.403 -9.924 1.00 0.75 H new ATOM 0 HA LEU A 29 58.402 3.930 -12.639 1.00 0.91 H new ATOM 0 HB2 LEU A 29 56.815 5.699 -11.690 1.00 1.17 H new ATOM 0 HB3 LEU A 29 56.674 4.155 -10.872 1.00 1.17 H new ATOM 0 HG LEU A 29 58.737 5.411 -9.459 1.00 1.49 H new ATOM 0 HD11 LEU A 29 57.839 7.657 -8.918 1.00 2.09 H new ATOM 0 HD12 LEU A 29 58.252 7.534 -10.644 1.00 2.09 H new ATOM 0 HD13 LEU A 29 56.552 7.435 -10.127 1.00 2.09 H new ATOM 0 HD21 LEU A 29 57.022 5.646 -7.680 1.00 1.73 H new ATOM 0 HD22 LEU A 29 55.736 5.423 -8.891 1.00 1.73 H new ATOM 0 HD23 LEU A 29 56.856 4.089 -8.525 1.00 1.73 H new ATOM 473 N GLY A 30 60.189 5.561 -13.268 1.00 1.47 N ATOM 474 CA GLY A 30 61.041 6.683 -13.753 1.00 1.89 C ATOM 475 C GLY A 30 62.169 6.941 -12.751 1.00 1.94 C ATOM 476 O GLY A 30 63.065 6.137 -12.590 1.00 2.46 O ATOM 0 H GLY A 30 60.218 4.716 -13.839 1.00 1.47 H new ATOM 0 HA2 GLY A 30 61.458 6.440 -14.731 1.00 1.89 H new ATOM 0 HA3 GLY A 30 60.439 7.583 -13.878 1.00 1.89 H new ATOM 480 N ALA A 31 62.132 8.058 -12.077 1.00 1.89 N ATOM 481 CA ALA A 31 63.202 8.368 -11.086 1.00 2.14 C ATOM 482 C ALA A 31 64.567 8.417 -11.780 1.00 2.28 C ATOM 483 O ALA A 31 65.428 7.595 -11.536 1.00 2.46 O ATOM 484 CB ALA A 31 63.151 7.219 -10.079 1.00 1.97 C ATOM 0 H ALA A 31 61.407 8.770 -12.170 1.00 1.89 H new ATOM 0 HA ALA A 31 63.056 9.336 -10.607 1.00 2.14 H new ATOM 0 HB1 ALA A 31 63.911 7.373 -9.313 1.00 1.97 H new ATOM 0 HB2 ALA A 31 62.167 7.188 -9.612 1.00 1.97 H new ATOM 0 HB3 ALA A 31 63.339 6.276 -10.593 1.00 1.97 H new ATOM 490 N GLU A 32 64.770 9.378 -12.641 1.00 2.73 N ATOM 491 CA GLU A 32 66.076 9.488 -13.352 1.00 2.98 C ATOM 492 C GLU A 32 66.309 8.252 -14.226 1.00 2.33 C ATOM 493 O GLU A 32 66.233 8.314 -15.437 1.00 2.34 O ATOM 494 CB GLU A 32 67.129 9.570 -12.246 1.00 3.71 C ATOM 495 CG GLU A 32 67.628 11.011 -12.122 1.00 4.48 C ATOM 496 CD GLU A 32 69.107 11.074 -12.509 1.00 5.14 C ATOM 497 OE1 GLU A 32 69.928 10.670 -11.701 1.00 5.71 O ATOM 498 OE2 GLU A 32 69.394 11.526 -13.605 1.00 5.38 O ATOM 0 H GLU A 32 64.085 10.094 -12.883 1.00 2.73 H new ATOM 0 HA GLU A 32 66.113 10.355 -14.012 1.00 2.98 H new ATOM 0 HB2 GLU A 32 66.703 9.239 -11.299 1.00 3.71 H new ATOM 0 HB3 GLU A 32 67.962 8.904 -12.472 1.00 3.71 H new ATOM 0 HG2 GLU A 32 67.044 11.666 -12.768 1.00 4.48 H new ATOM 0 HG3 GLU A 32 67.493 11.367 -11.101 1.00 4.48 H new ATOM 505 N ASP A 33 66.590 7.132 -13.620 1.00 2.13 N ATOM 506 CA ASP A 33 66.827 5.892 -14.415 1.00 2.25 C ATOM 507 C ASP A 33 67.118 4.712 -13.483 1.00 1.67 C ATOM 508 O ASP A 33 68.257 4.394 -13.205 1.00 2.00 O ATOM 509 CB ASP A 33 68.051 6.202 -15.280 1.00 3.20 C ATOM 510 CG ASP A 33 68.043 5.301 -16.516 1.00 3.87 C ATOM 511 OD1 ASP A 33 67.021 4.684 -16.770 1.00 4.16 O ATOM 512 OD2 ASP A 33 69.059 5.243 -17.189 1.00 4.49 O ATOM 0 H ASP A 33 66.666 7.021 -12.609 1.00 2.13 H new ATOM 0 HA ASP A 33 65.960 5.617 -15.016 1.00 2.25 H new ATOM 0 HB2 ASP A 33 68.041 7.250 -15.580 1.00 3.20 H new ATOM 0 HB3 ASP A 33 68.964 6.043 -14.707 1.00 3.20 H new ATOM 517 N GLY A 34 66.096 4.059 -12.999 1.00 1.10 N ATOM 518 CA GLY A 34 66.316 2.899 -12.088 1.00 1.18 C ATOM 519 C GLY A 34 66.463 3.396 -10.648 1.00 0.92 C ATOM 520 O GLY A 34 67.405 3.059 -9.959 1.00 1.03 O ATOM 0 H GLY A 34 65.119 4.278 -13.195 1.00 1.10 H new ATOM 0 HA2 GLY A 34 65.479 2.204 -12.160 1.00 1.18 H new ATOM 0 HA3 GLY A 34 67.211 2.353 -12.388 1.00 1.18 H new ATOM 524 N CYS A 35 65.538 4.193 -10.187 1.00 0.78 N ATOM 525 CA CYS A 35 65.626 4.708 -8.790 1.00 0.68 C ATOM 526 C CYS A 35 64.223 4.894 -8.208 1.00 0.69 C ATOM 527 O CYS A 35 63.243 4.921 -8.925 1.00 0.89 O ATOM 528 CB CYS A 35 66.341 6.054 -8.910 1.00 0.78 C ATOM 529 SG CYS A 35 67.937 5.818 -9.727 1.00 1.27 S ATOM 0 H CYS A 35 64.726 4.510 -10.716 1.00 0.78 H new ATOM 0 HA CYS A 35 66.156 4.023 -8.128 1.00 0.68 H new ATOM 0 HB2 CYS A 35 65.729 6.754 -9.479 1.00 0.78 H new ATOM 0 HB3 CYS A 35 66.487 6.490 -7.922 1.00 0.78 H new ATOM 0 HG CYS A 35 68.246 4.555 -9.719 1.00 1.27 H new ATOM 535 N ILE A 36 64.117 5.024 -6.913 1.00 0.57 N ATOM 536 CA ILE A 36 62.773 5.208 -6.295 1.00 0.57 C ATOM 537 C ILE A 36 62.767 6.440 -5.387 1.00 0.50 C ATOM 538 O ILE A 36 63.794 7.024 -5.107 1.00 0.60 O ATOM 539 CB ILE A 36 62.535 3.938 -5.479 1.00 0.63 C ATOM 540 CG1 ILE A 36 63.457 3.931 -4.258 1.00 0.60 C ATOM 541 CG2 ILE A 36 62.833 2.713 -6.347 1.00 0.72 C ATOM 542 CD1 ILE A 36 63.009 2.836 -3.289 1.00 0.75 C ATOM 0 H ILE A 36 64.900 5.011 -6.259 1.00 0.57 H new ATOM 0 HA ILE A 36 61.995 5.365 -7.042 1.00 0.57 H new ATOM 0 HB ILE A 36 61.497 3.910 -5.149 1.00 0.63 H new ATOM 0 HG12 ILE A 36 64.488 3.758 -4.568 1.00 0.60 H new ATOM 0 HG13 ILE A 36 63.431 4.902 -3.764 1.00 0.60 H new ATOM 0 HG21 ILE A 36 62.664 1.806 -5.767 1.00 0.72 H new ATOM 0 HG22 ILE A 36 62.176 2.715 -7.217 1.00 0.72 H new ATOM 0 HG23 ILE A 36 63.872 2.744 -6.676 1.00 0.72 H new ATOM 0 HD11 ILE A 36 63.665 2.830 -2.419 1.00 0.75 H new ATOM 0 HD12 ILE A 36 61.985 3.029 -2.970 1.00 0.75 H new ATOM 0 HD13 ILE A 36 63.058 1.868 -3.787 1.00 0.75 H new ATOM 554 N SER A 37 61.613 6.839 -4.927 1.00 0.54 N ATOM 555 CA SER A 37 61.535 8.034 -4.039 1.00 0.50 C ATOM 556 C SER A 37 61.946 7.660 -2.611 1.00 0.48 C ATOM 557 O SER A 37 62.114 6.501 -2.287 1.00 0.60 O ATOM 558 CB SER A 37 60.068 8.462 -4.080 1.00 0.55 C ATOM 559 OG SER A 37 59.415 8.020 -2.898 1.00 1.02 O ATOM 0 H SER A 37 60.720 6.389 -5.128 1.00 0.54 H new ATOM 0 HA SER A 37 62.202 8.833 -4.362 1.00 0.50 H new ATOM 0 HB2 SER A 37 59.996 9.546 -4.165 1.00 0.55 H new ATOM 0 HB3 SER A 37 59.579 8.041 -4.958 1.00 0.55 H new ATOM 0 HG SER A 37 58.446 8.122 -3.002 1.00 1.02 H new ATOM 565 N THR A 38 62.108 8.632 -1.757 1.00 0.48 N ATOM 566 CA THR A 38 62.505 8.331 -0.351 1.00 0.53 C ATOM 567 C THR A 38 61.314 7.766 0.426 1.00 0.53 C ATOM 568 O THR A 38 61.468 6.942 1.306 1.00 0.59 O ATOM 569 CB THR A 38 62.940 9.675 0.234 1.00 0.64 C ATOM 570 OG1 THR A 38 61.826 10.556 0.268 1.00 0.62 O ATOM 571 CG2 THR A 38 64.045 10.278 -0.634 1.00 0.85 C ATOM 0 H THR A 38 61.983 9.622 -1.971 1.00 0.48 H new ATOM 0 HA THR A 38 63.300 7.587 -0.296 1.00 0.53 H new ATOM 0 HB THR A 38 63.318 9.527 1.246 1.00 0.64 H new ATOM 0 HG1 THR A 38 62.102 11.418 0.644 1.00 0.62 H new ATOM 0 HG21 THR A 38 64.354 11.236 -0.216 1.00 0.85 H new ATOM 0 HG22 THR A 38 64.899 9.601 -0.659 1.00 0.85 H new ATOM 0 HG23 THR A 38 63.671 10.428 -1.647 1.00 0.85 H new ATOM 579 N LYS A 39 60.126 8.202 0.109 1.00 0.60 N ATOM 580 CA LYS A 39 58.926 7.690 0.831 1.00 0.73 C ATOM 581 C LYS A 39 58.479 6.353 0.231 1.00 0.66 C ATOM 582 O LYS A 39 57.566 5.717 0.718 1.00 0.87 O ATOM 583 CB LYS A 39 57.851 8.758 0.621 1.00 0.90 C ATOM 584 CG LYS A 39 57.500 8.848 -0.865 1.00 1.78 C ATOM 585 CD LYS A 39 56.002 9.120 -1.019 1.00 2.12 C ATOM 586 CE LYS A 39 55.616 9.036 -2.497 1.00 2.70 C ATOM 587 NZ LYS A 39 54.151 8.768 -2.497 1.00 2.96 N ATOM 0 H LYS A 39 59.934 8.891 -0.619 1.00 0.60 H new ATOM 0 HA LYS A 39 59.124 7.514 1.888 1.00 0.73 H new ATOM 0 HB2 LYS A 39 56.961 8.512 1.201 1.00 0.90 H new ATOM 0 HB3 LYS A 39 58.208 9.723 0.980 1.00 0.90 H new ATOM 0 HG2 LYS A 39 58.076 9.644 -1.338 1.00 1.78 H new ATOM 0 HG3 LYS A 39 57.766 7.919 -1.369 1.00 1.78 H new ATOM 0 HD2 LYS A 39 55.429 8.395 -0.441 1.00 2.12 H new ATOM 0 HD3 LYS A 39 55.758 10.106 -0.624 1.00 2.12 H new ATOM 0 HE2 LYS A 39 55.848 9.964 -3.019 1.00 2.70 H new ATOM 0 HE3 LYS A 39 56.163 8.241 -3.003 1.00 2.70 H new ATOM 0 HZ1 LYS A 39 53.811 8.697 -3.477 1.00 2.96 H new ATOM 0 HZ2 LYS A 39 53.961 7.875 -1.999 1.00 2.96 H new ATOM 0 HZ3 LYS A 39 53.656 9.545 -2.014 1.00 2.96 H new ATOM 601 N GLU A 40 59.119 5.923 -0.822 1.00 0.52 N ATOM 602 CA GLU A 40 58.731 4.627 -1.453 1.00 0.56 C ATOM 603 C GLU A 40 59.490 3.469 -0.798 1.00 0.52 C ATOM 604 O GLU A 40 58.913 2.466 -0.430 1.00 0.59 O ATOM 605 CB GLU A 40 59.131 4.769 -2.921 1.00 0.71 C ATOM 606 CG GLU A 40 57.962 5.357 -3.714 1.00 1.06 C ATOM 607 CD GLU A 40 56.871 4.295 -3.879 1.00 1.41 C ATOM 608 OE1 GLU A 40 57.213 3.169 -4.196 1.00 1.60 O ATOM 609 OE2 GLU A 40 55.713 4.629 -3.684 1.00 2.23 O ATOM 0 H GLU A 40 59.893 6.411 -1.273 1.00 0.52 H new ATOM 0 HA GLU A 40 57.668 4.413 -1.338 1.00 0.56 H new ATOM 0 HB2 GLU A 40 60.005 5.414 -3.010 1.00 0.71 H new ATOM 0 HB3 GLU A 40 59.409 3.797 -3.329 1.00 0.71 H new ATOM 0 HG2 GLU A 40 57.560 6.229 -3.198 1.00 1.06 H new ATOM 0 HG3 GLU A 40 58.306 5.696 -4.691 1.00 1.06 H new ATOM 616 N LEU A 41 60.781 3.600 -0.650 1.00 0.51 N ATOM 617 CA LEU A 41 61.574 2.504 -0.021 1.00 0.54 C ATOM 618 C LEU A 41 61.004 2.162 1.357 1.00 0.56 C ATOM 619 O LEU A 41 61.230 1.090 1.883 1.00 0.70 O ATOM 620 CB LEU A 41 62.990 3.066 0.109 1.00 0.62 C ATOM 621 CG LEU A 41 62.950 4.379 0.892 1.00 0.64 C ATOM 622 CD1 LEU A 41 63.302 4.110 2.356 1.00 1.18 C ATOM 623 CD2 LEU A 41 63.964 5.358 0.296 1.00 1.40 C ATOM 0 H LEU A 41 61.320 4.417 -0.937 1.00 0.51 H new ATOM 0 HA LEU A 41 61.551 1.587 -0.610 1.00 0.54 H new ATOM 0 HB2 LEU A 41 63.632 2.347 0.617 1.00 0.62 H new ATOM 0 HB3 LEU A 41 63.418 3.233 -0.879 1.00 0.62 H new ATOM 0 HG LEU A 41 61.950 4.809 0.831 1.00 0.64 H new ATOM 0 HD11 LEU A 41 63.274 5.045 2.915 1.00 1.18 H new ATOM 0 HD12 LEU A 41 62.581 3.411 2.781 1.00 1.18 H new ATOM 0 HD13 LEU A 41 64.302 3.681 2.417 1.00 1.18 H new ATOM 0 HD21 LEU A 41 63.937 6.294 0.853 1.00 1.40 H new ATOM 0 HD22 LEU A 41 64.964 4.928 0.357 1.00 1.40 H new ATOM 0 HD23 LEU A 41 63.715 5.549 -0.748 1.00 1.40 H new ATOM 635 N GLY A 42 60.266 3.063 1.947 1.00 0.57 N ATOM 636 CA GLY A 42 59.684 2.785 3.290 1.00 0.60 C ATOM 637 C GLY A 42 58.909 1.467 3.248 1.00 0.55 C ATOM 638 O GLY A 42 59.254 0.511 3.913 1.00 0.57 O ATOM 0 H GLY A 42 60.041 3.978 1.557 1.00 0.57 H new ATOM 0 HA2 GLY A 42 60.476 2.730 4.037 1.00 0.60 H new ATOM 0 HA3 GLY A 42 59.022 3.599 3.587 1.00 0.60 H new ATOM 642 N LYS A 43 57.863 1.409 2.471 1.00 0.57 N ATOM 643 CA LYS A 43 57.064 0.152 2.386 1.00 0.58 C ATOM 644 C LYS A 43 57.954 -1.013 1.944 1.00 0.56 C ATOM 645 O LYS A 43 57.677 -2.162 2.228 1.00 0.60 O ATOM 646 CB LYS A 43 55.992 0.438 1.333 1.00 0.65 C ATOM 647 CG LYS A 43 54.838 1.208 1.979 1.00 0.99 C ATOM 648 CD LYS A 43 53.909 1.747 0.888 1.00 1.28 C ATOM 649 CE LYS A 43 52.558 1.035 0.972 1.00 1.53 C ATOM 650 NZ LYS A 43 52.850 -0.385 0.631 1.00 1.86 N ATOM 0 H LYS A 43 57.526 2.177 1.891 1.00 0.57 H new ATOM 0 HA LYS A 43 56.630 -0.128 3.346 1.00 0.58 H new ATOM 0 HB2 LYS A 43 56.417 1.018 0.514 1.00 0.65 H new ATOM 0 HB3 LYS A 43 55.627 -0.496 0.907 1.00 0.65 H new ATOM 0 HG2 LYS A 43 54.284 0.555 2.653 1.00 0.99 H new ATOM 0 HG3 LYS A 43 55.227 2.031 2.579 1.00 0.99 H new ATOM 0 HD2 LYS A 43 53.774 2.822 1.009 1.00 1.28 H new ATOM 0 HD3 LYS A 43 54.355 1.590 -0.094 1.00 1.28 H new ATOM 0 HE2 LYS A 43 52.128 1.121 1.970 1.00 1.53 H new ATOM 0 HE3 LYS A 43 51.839 1.468 0.276 1.00 1.53 H new ATOM 0 HZ1 LYS A 43 51.991 -0.836 0.256 1.00 1.86 H new ATOM 0 HZ2 LYS A 43 53.602 -0.422 -0.086 1.00 1.86 H new ATOM 0 HZ3 LYS A 43 53.161 -0.890 1.485 1.00 1.86 H new ATOM 664 N VAL A 44 59.024 -0.728 1.252 1.00 0.54 N ATOM 665 CA VAL A 44 59.930 -1.820 0.796 1.00 0.56 C ATOM 666 C VAL A 44 60.778 -2.329 1.967 1.00 0.59 C ATOM 667 O VAL A 44 61.122 -3.492 2.037 1.00 0.57 O ATOM 668 CB VAL A 44 60.813 -1.174 -0.272 1.00 0.59 C ATOM 669 CG1 VAL A 44 62.048 -2.043 -0.514 1.00 1.36 C ATOM 670 CG2 VAL A 44 60.022 -1.043 -1.576 1.00 1.36 C ATOM 0 H VAL A 44 59.309 0.214 0.983 1.00 0.54 H new ATOM 0 HA VAL A 44 59.384 -2.680 0.408 1.00 0.56 H new ATOM 0 HB VAL A 44 61.126 -0.187 0.068 1.00 0.59 H new ATOM 0 HG11 VAL A 44 62.675 -1.580 -1.276 1.00 1.36 H new ATOM 0 HG12 VAL A 44 62.613 -2.138 0.413 1.00 1.36 H new ATOM 0 HG13 VAL A 44 61.737 -3.031 -0.852 1.00 1.36 H new ATOM 0 HG21 VAL A 44 60.651 -0.583 -2.338 1.00 1.36 H new ATOM 0 HG22 VAL A 44 59.709 -2.031 -1.912 1.00 1.36 H new ATOM 0 HG23 VAL A 44 59.142 -0.422 -1.407 1.00 1.36 H new ATOM 680 N MET A 45 61.116 -1.466 2.885 1.00 0.74 N ATOM 681 CA MET A 45 61.941 -1.902 4.048 1.00 0.84 C ATOM 682 C MET A 45 61.147 -2.875 4.924 1.00 0.86 C ATOM 683 O MET A 45 61.651 -3.896 5.349 1.00 0.89 O ATOM 684 CB MET A 45 62.248 -0.617 4.820 1.00 0.96 C ATOM 685 CG MET A 45 63.561 -0.018 4.314 1.00 1.12 C ATOM 686 SD MET A 45 64.453 0.734 5.696 1.00 1.48 S ATOM 687 CE MET A 45 66.010 -0.163 5.479 1.00 0.73 C ATOM 0 H MET A 45 60.857 -0.479 2.881 1.00 0.74 H new ATOM 0 HA MET A 45 62.849 -2.420 3.739 1.00 0.84 H new ATOM 0 HB2 MET A 45 61.436 0.099 4.692 1.00 0.96 H new ATOM 0 HB3 MET A 45 62.320 -0.830 5.887 1.00 0.96 H new ATOM 0 HG2 MET A 45 64.172 -0.793 3.851 1.00 1.12 H new ATOM 0 HG3 MET A 45 63.360 0.730 3.547 1.00 1.12 H new ATOM 0 HE1 MET A 45 66.721 0.152 6.243 1.00 0.73 H new ATOM 0 HE2 MET A 45 65.829 -1.234 5.572 1.00 0.73 H new ATOM 0 HE3 MET A 45 66.419 0.052 4.492 1.00 0.73 H new ATOM 697 N ARG A 46 59.909 -2.566 5.197 1.00 0.94 N ATOM 698 CA ARG A 46 59.083 -3.473 6.045 1.00 1.04 C ATOM 699 C ARG A 46 58.629 -4.690 5.233 1.00 1.00 C ATOM 700 O ARG A 46 58.319 -5.731 5.777 1.00 1.04 O ATOM 701 CB ARG A 46 57.880 -2.631 6.470 1.00 1.21 C ATOM 702 CG ARG A 46 57.047 -2.275 5.238 1.00 1.04 C ATOM 703 CD ARG A 46 55.836 -1.442 5.663 1.00 1.77 C ATOM 704 NE ARG A 46 54.989 -2.374 6.457 1.00 2.29 N ATOM 705 CZ ARG A 46 53.857 -1.961 6.958 1.00 2.76 C ATOM 706 NH1 ARG A 46 52.945 -1.451 6.176 1.00 3.45 N ATOM 707 NH2 ARG A 46 53.638 -2.056 8.242 1.00 3.10 N ATOM 0 H ARG A 46 59.433 -1.725 4.870 1.00 0.94 H new ATOM 0 HA ARG A 46 59.637 -3.854 6.903 1.00 1.04 H new ATOM 0 HB2 ARG A 46 57.272 -3.182 7.187 1.00 1.21 H new ATOM 0 HB3 ARG A 46 58.217 -1.723 6.970 1.00 1.21 H new ATOM 0 HG2 ARG A 46 57.654 -1.717 4.525 1.00 1.04 H new ATOM 0 HG3 ARG A 46 56.718 -3.184 4.734 1.00 1.04 H new ATOM 0 HD2 ARG A 46 56.139 -0.580 6.257 1.00 1.77 H new ATOM 0 HD3 ARG A 46 55.297 -1.059 4.797 1.00 1.77 H new ATOM 0 HE ARG A 46 55.294 -3.335 6.609 1.00 2.29 H new ATOM 0 HH11 ARG A 46 53.117 -1.375 5.173 1.00 3.45 H new ATOM 0 HH12 ARG A 46 52.060 -1.128 6.567 1.00 3.45 H new ATOM 0 HH21 ARG A 46 54.352 -2.453 8.853 1.00 3.10 H new ATOM 0 HH22 ARG A 46 52.753 -1.733 8.634 1.00 3.10 H new ATOM 721 N MET A 47 58.588 -4.566 3.935 1.00 0.98 N ATOM 722 CA MET A 47 58.154 -5.716 3.090 1.00 1.04 C ATOM 723 C MET A 47 58.954 -6.968 3.456 1.00 0.99 C ATOM 724 O MET A 47 58.438 -8.068 3.459 1.00 1.07 O ATOM 725 CB MET A 47 58.455 -5.287 1.654 1.00 1.19 C ATOM 726 CG MET A 47 57.148 -4.928 0.944 1.00 1.37 C ATOM 727 SD MET A 47 57.140 -5.660 -0.712 1.00 1.89 S ATOM 728 CE MET A 47 57.407 -4.128 -1.637 1.00 1.30 C ATOM 0 H MET A 47 58.836 -3.720 3.423 1.00 0.98 H new ATOM 0 HA MET A 47 57.101 -5.959 3.229 1.00 1.04 H new ATOM 0 HB2 MET A 47 59.129 -4.430 1.653 1.00 1.19 H new ATOM 0 HB3 MET A 47 58.961 -6.092 1.121 1.00 1.19 H new ATOM 0 HG2 MET A 47 56.297 -5.293 1.519 1.00 1.37 H new ATOM 0 HG3 MET A 47 57.045 -3.845 0.875 1.00 1.37 H new ATOM 0 HE1 MET A 47 57.026 -4.244 -2.652 1.00 1.30 H new ATOM 0 HE2 MET A 47 56.883 -3.309 -1.144 1.00 1.30 H new ATOM 0 HE3 MET A 47 58.474 -3.906 -1.673 1.00 1.30 H new ATOM 738 N LEU A 48 60.213 -6.810 3.765 1.00 0.93 N ATOM 739 CA LEU A 48 61.046 -7.991 4.131 1.00 0.98 C ATOM 740 C LEU A 48 60.959 -8.252 5.637 1.00 1.32 C ATOM 741 O LEU A 48 61.309 -9.313 6.115 1.00 1.80 O ATOM 742 CB LEU A 48 62.471 -7.609 3.733 1.00 1.21 C ATOM 743 CG LEU A 48 62.739 -8.055 2.296 1.00 1.28 C ATOM 744 CD1 LEU A 48 61.988 -7.140 1.328 1.00 2.11 C ATOM 745 CD2 LEU A 48 64.240 -7.977 2.008 1.00 1.86 C ATOM 0 H LEU A 48 60.700 -5.914 3.780 1.00 0.93 H new ATOM 0 HA LEU A 48 60.715 -8.902 3.632 1.00 0.98 H new ATOM 0 HB2 LEU A 48 62.607 -6.531 3.821 1.00 1.21 H new ATOM 0 HB3 LEU A 48 63.186 -8.077 4.409 1.00 1.21 H new ATOM 0 HG LEU A 48 62.396 -9.082 2.166 1.00 1.28 H new ATOM 0 HD11 LEU A 48 62.180 -7.459 0.303 1.00 2.11 H new ATOM 0 HD12 LEU A 48 60.918 -7.195 1.531 1.00 2.11 H new ATOM 0 HD13 LEU A 48 62.330 -6.113 1.459 1.00 2.11 H new ATOM 0 HD21 LEU A 48 64.431 -8.295 0.983 1.00 1.86 H new ATOM 0 HD22 LEU A 48 64.583 -6.951 2.139 1.00 1.86 H new ATOM 0 HD23 LEU A 48 64.777 -8.630 2.696 1.00 1.86 H new ATOM 757 N GLY A 49 60.495 -7.291 6.389 1.00 1.36 N ATOM 758 CA GLY A 49 60.387 -7.484 7.862 1.00 1.95 C ATOM 759 C GLY A 49 60.933 -6.249 8.581 1.00 1.43 C ATOM 760 O GLY A 49 60.214 -5.546 9.262 1.00 1.92 O ATOM 0 H GLY A 49 60.186 -6.381 6.046 1.00 1.36 H new ATOM 0 HA2 GLY A 49 59.347 -7.651 8.142 1.00 1.95 H new ATOM 0 HA3 GLY A 49 60.945 -8.370 8.165 1.00 1.95 H new ATOM 764 N GLN A 50 62.202 -5.978 8.434 1.00 1.21 N ATOM 765 CA GLN A 50 62.793 -4.787 9.110 1.00 1.01 C ATOM 766 C GLN A 50 61.890 -3.566 8.912 1.00 1.02 C ATOM 767 O GLN A 50 61.502 -3.241 7.808 1.00 1.23 O ATOM 768 CB GLN A 50 64.144 -4.573 8.427 1.00 1.43 C ATOM 769 CG GLN A 50 65.265 -5.044 9.355 1.00 1.58 C ATOM 770 CD GLN A 50 66.127 -3.849 9.763 1.00 2.45 C ATOM 771 OE1 GLN A 50 66.383 -2.969 8.966 1.00 3.08 O ATOM 772 NE2 GLN A 50 66.590 -3.779 10.983 1.00 3.14 N ATOM 0 H GLN A 50 62.854 -6.529 7.876 1.00 1.21 H new ATOM 0 HA GLN A 50 62.900 -4.932 10.185 1.00 1.01 H new ATOM 0 HB2 GLN A 50 64.180 -5.124 7.487 1.00 1.43 H new ATOM 0 HB3 GLN A 50 64.278 -3.519 8.184 1.00 1.43 H new ATOM 0 HG2 GLN A 50 64.843 -5.520 10.240 1.00 1.58 H new ATOM 0 HG3 GLN A 50 65.877 -5.792 8.852 1.00 1.58 H new ATOM 0 HE21 GLN A 50 66.376 -4.518 11.653 1.00 3.14 H new ATOM 0 HE22 GLN A 50 67.166 -2.986 11.265 1.00 3.14 H new ATOM 781 N ASN A 51 61.553 -2.890 9.975 1.00 0.98 N ATOM 782 CA ASN A 51 60.673 -1.691 9.850 1.00 1.08 C ATOM 783 C ASN A 51 61.057 -0.644 10.897 1.00 0.93 C ATOM 784 O ASN A 51 60.527 -0.634 11.990 1.00 1.15 O ATOM 785 CB ASN A 51 59.258 -2.210 10.104 1.00 1.52 C ATOM 786 CG ASN A 51 59.264 -3.132 11.325 1.00 1.82 C ATOM 787 OD1 ASN A 51 59.963 -2.882 12.288 1.00 2.25 O ATOM 788 ND2 ASN A 51 58.509 -4.197 11.327 1.00 2.47 N ATOM 0 H ASN A 51 61.848 -3.115 10.925 1.00 0.98 H new ATOM 0 HA ASN A 51 60.762 -1.212 8.875 1.00 1.08 H new ATOM 0 HB2 ASN A 51 58.577 -1.375 10.269 1.00 1.52 H new ATOM 0 HB3 ASN A 51 58.895 -2.750 9.229 1.00 1.52 H new ATOM 0 HD21 ASN A 51 58.506 -4.818 12.136 1.00 2.47 H new ATOM 0 HD22 ASN A 51 57.922 -4.408 10.520 1.00 2.47 H new ATOM 795 N PRO A 52 61.973 0.208 10.523 1.00 0.72 N ATOM 796 CA PRO A 52 62.438 1.276 11.439 1.00 0.80 C ATOM 797 C PRO A 52 61.374 2.369 11.568 1.00 0.80 C ATOM 798 O PRO A 52 60.291 2.262 11.029 1.00 0.80 O ATOM 799 CB PRO A 52 63.689 1.815 10.754 1.00 0.85 C ATOM 800 CG PRO A 52 63.507 1.495 9.304 1.00 0.79 C ATOM 801 CD PRO A 52 62.654 0.254 9.225 1.00 0.71 C ATOM 0 HA PRO A 52 62.632 0.919 12.451 1.00 0.80 H new ATOM 0 HB2 PRO A 52 63.793 2.889 10.911 1.00 0.85 H new ATOM 0 HB3 PRO A 52 64.589 1.346 11.151 1.00 0.85 H new ATOM 0 HG2 PRO A 52 63.028 2.325 8.784 1.00 0.79 H new ATOM 0 HG3 PRO A 52 64.471 1.331 8.822 1.00 0.79 H new ATOM 0 HD2 PRO A 52 61.941 0.311 8.402 1.00 0.71 H new ATOM 0 HD3 PRO A 52 63.260 -0.637 9.060 1.00 0.71 H new ATOM 809 N THR A 53 61.675 3.421 12.280 1.00 0.87 N ATOM 810 CA THR A 53 60.681 4.521 12.441 1.00 0.92 C ATOM 811 C THR A 53 60.550 5.311 11.137 1.00 0.82 C ATOM 812 O THR A 53 61.463 5.345 10.337 1.00 0.76 O ATOM 813 CB THR A 53 61.241 5.412 13.554 1.00 1.08 C ATOM 814 OG1 THR A 53 62.562 4.997 13.876 1.00 1.26 O ATOM 815 CG2 THR A 53 60.353 5.303 14.794 1.00 1.54 C ATOM 0 H THR A 53 62.565 3.566 12.757 1.00 0.87 H new ATOM 0 HA THR A 53 59.688 4.143 12.686 1.00 0.92 H new ATOM 0 HB THR A 53 61.260 6.447 13.213 1.00 1.08 H new ATOM 0 HG1 THR A 53 62.525 4.245 14.503 1.00 1.26 H new ATOM 0 HG21 THR A 53 60.753 5.938 15.585 1.00 1.54 H new ATOM 0 HG22 THR A 53 59.342 5.625 14.547 1.00 1.54 H new ATOM 0 HG23 THR A 53 60.331 4.268 15.136 1.00 1.54 H new ATOM 823 N PRO A 54 59.409 5.923 10.970 1.00 0.82 N ATOM 824 CA PRO A 54 59.146 6.725 9.751 1.00 0.75 C ATOM 825 C PRO A 54 59.947 8.030 9.788 1.00 0.73 C ATOM 826 O PRO A 54 60.394 8.526 8.772 1.00 0.69 O ATOM 827 CB PRO A 54 57.647 7.002 9.821 1.00 0.83 C ATOM 828 CG PRO A 54 57.303 6.903 11.273 1.00 0.94 C ATOM 829 CD PRO A 54 58.268 5.925 11.891 1.00 0.93 C ATOM 0 HA PRO A 54 59.437 6.217 8.831 1.00 0.75 H new ATOM 0 HB2 PRO A 54 57.409 7.989 9.425 1.00 0.83 H new ATOM 0 HB3 PRO A 54 57.084 6.278 9.232 1.00 0.83 H new ATOM 0 HG2 PRO A 54 57.381 7.878 11.755 1.00 0.94 H new ATOM 0 HG3 PRO A 54 56.275 6.564 11.403 1.00 0.94 H new ATOM 0 HD2 PRO A 54 58.564 6.236 12.893 1.00 0.93 H new ATOM 0 HD3 PRO A 54 57.827 4.932 11.982 1.00 0.93 H new ATOM 837 N GLU A 55 60.133 8.590 10.953 1.00 0.85 N ATOM 838 CA GLU A 55 60.906 9.860 11.055 1.00 0.87 C ATOM 839 C GLU A 55 62.408 9.565 11.022 1.00 0.84 C ATOM 840 O GLU A 55 63.217 10.429 10.748 1.00 0.82 O ATOM 841 CB GLU A 55 60.506 10.461 12.402 1.00 1.02 C ATOM 842 CG GLU A 55 59.273 11.348 12.221 1.00 1.48 C ATOM 843 CD GLU A 55 58.227 10.990 13.278 1.00 2.02 C ATOM 844 OE1 GLU A 55 58.114 9.819 13.599 1.00 2.57 O ATOM 845 OE2 GLU A 55 57.554 11.894 13.747 1.00 2.53 O ATOM 0 H GLU A 55 59.783 8.223 11.838 1.00 0.85 H new ATOM 0 HA GLU A 55 60.697 10.540 10.229 1.00 0.87 H new ATOM 0 HB2 GLU A 55 60.293 9.667 13.118 1.00 1.02 H new ATOM 0 HB3 GLU A 55 61.330 11.046 12.810 1.00 1.02 H new ATOM 0 HG2 GLU A 55 59.551 12.398 12.310 1.00 1.48 H new ATOM 0 HG3 GLU A 55 58.858 11.212 11.222 1.00 1.48 H new ATOM 852 N GLU A 56 62.785 8.346 11.296 1.00 0.88 N ATOM 853 CA GLU A 56 64.232 7.989 11.277 1.00 0.91 C ATOM 854 C GLU A 56 64.624 7.505 9.882 1.00 0.80 C ATOM 855 O GLU A 56 65.505 8.049 9.247 1.00 0.81 O ATOM 856 CB GLU A 56 64.377 6.860 12.299 1.00 1.00 C ATOM 857 CG GLU A 56 64.336 7.442 13.714 1.00 1.44 C ATOM 858 CD GLU A 56 65.728 7.354 14.341 1.00 1.39 C ATOM 859 OE1 GLU A 56 66.652 7.908 13.768 1.00 2.00 O ATOM 860 OE2 GLU A 56 65.847 6.734 15.385 1.00 1.79 O ATOM 0 H GLU A 56 62.153 7.581 11.532 1.00 0.88 H new ATOM 0 HA GLU A 56 64.875 8.835 11.518 1.00 0.91 H new ATOM 0 HB2 GLU A 56 63.575 6.133 12.170 1.00 1.00 H new ATOM 0 HB3 GLU A 56 65.316 6.330 12.140 1.00 1.00 H new ATOM 0 HG2 GLU A 56 64.004 8.480 13.683 1.00 1.44 H new ATOM 0 HG3 GLU A 56 63.616 6.896 14.323 1.00 1.44 H new ATOM 867 N LEU A 57 63.966 6.487 9.402 1.00 0.75 N ATOM 868 CA LEU A 57 64.281 5.962 8.045 1.00 0.70 C ATOM 869 C LEU A 57 64.488 7.132 7.075 1.00 0.67 C ATOM 870 O LEU A 57 65.330 7.083 6.199 1.00 0.71 O ATOM 871 CB LEU A 57 63.048 5.116 7.679 1.00 0.69 C ATOM 872 CG LEU A 57 62.793 5.121 6.166 1.00 1.00 C ATOM 873 CD1 LEU A 57 62.145 6.447 5.762 1.00 1.51 C ATOM 874 CD2 LEU A 57 64.116 4.940 5.417 1.00 1.41 C ATOM 0 H LEU A 57 63.220 5.994 9.894 1.00 0.75 H new ATOM 0 HA LEU A 57 65.196 5.372 8.002 1.00 0.70 H new ATOM 0 HB2 LEU A 57 63.194 4.091 8.021 1.00 0.69 H new ATOM 0 HB3 LEU A 57 62.172 5.504 8.198 1.00 0.69 H new ATOM 0 HG LEU A 57 62.124 4.300 5.909 1.00 1.00 H new ATOM 0 HD11 LEU A 57 61.964 6.451 4.687 1.00 1.51 H new ATOM 0 HD12 LEU A 57 61.199 6.565 6.290 1.00 1.51 H new ATOM 0 HD13 LEU A 57 62.810 7.271 6.021 1.00 1.51 H new ATOM 0 HD21 LEU A 57 63.930 4.944 4.343 1.00 1.41 H new ATOM 0 HD22 LEU A 57 64.793 5.756 5.671 1.00 1.41 H new ATOM 0 HD23 LEU A 57 64.569 3.991 5.703 1.00 1.41 H new ATOM 886 N GLN A 58 63.728 8.182 7.224 1.00 0.68 N ATOM 887 CA GLN A 58 63.882 9.351 6.310 1.00 0.72 C ATOM 888 C GLN A 58 65.166 10.115 6.638 1.00 0.71 C ATOM 889 O GLN A 58 65.985 10.371 5.778 1.00 0.79 O ATOM 890 CB GLN A 58 62.656 10.226 6.575 1.00 0.79 C ATOM 891 CG GLN A 58 61.753 10.226 5.340 1.00 1.09 C ATOM 892 CD GLN A 58 61.526 11.667 4.874 1.00 1.67 C ATOM 893 OE1 GLN A 58 60.734 12.385 5.449 1.00 2.37 O ATOM 894 NE2 GLN A 58 62.194 12.121 3.849 1.00 2.20 N ATOM 0 H GLN A 58 63.007 8.282 7.939 1.00 0.68 H new ATOM 0 HA GLN A 58 63.950 9.050 5.265 1.00 0.72 H new ATOM 0 HB2 GLN A 58 62.108 9.851 7.439 1.00 0.79 H new ATOM 0 HB3 GLN A 58 62.967 11.244 6.812 1.00 0.79 H new ATOM 0 HG2 GLN A 58 62.211 9.642 4.542 1.00 1.09 H new ATOM 0 HG3 GLN A 58 60.799 9.753 5.574 1.00 1.09 H new ATOM 0 HE21 GLN A 58 62.859 11.517 3.366 1.00 2.20 H new ATOM 0 HE22 GLN A 58 62.051 13.079 3.531 1.00 2.20 H new ATOM 903 N GLU A 59 65.348 10.482 7.877 1.00 0.70 N ATOM 904 CA GLU A 59 66.579 11.232 8.258 1.00 0.72 C ATOM 905 C GLU A 59 67.811 10.578 7.627 1.00 0.73 C ATOM 906 O GLU A 59 68.660 11.243 7.068 1.00 0.75 O ATOM 907 CB GLU A 59 66.643 11.138 9.784 1.00 0.75 C ATOM 908 CG GLU A 59 66.016 12.393 10.398 1.00 1.37 C ATOM 909 CD GLU A 59 66.250 12.392 11.910 1.00 1.66 C ATOM 910 OE1 GLU A 59 66.757 11.402 12.410 1.00 2.02 O ATOM 911 OE2 GLU A 59 65.919 13.382 12.541 1.00 2.42 O ATOM 0 H GLU A 59 64.699 10.295 8.641 1.00 0.70 H new ATOM 0 HA GLU A 59 66.557 12.266 7.914 1.00 0.72 H new ATOM 0 HB2 GLU A 59 66.114 10.249 10.127 1.00 0.75 H new ATOM 0 HB3 GLU A 59 67.678 11.039 10.110 1.00 0.75 H new ATOM 0 HG2 GLU A 59 66.453 13.286 9.952 1.00 1.37 H new ATOM 0 HG3 GLU A 59 64.947 12.420 10.185 1.00 1.37 H new ATOM 918 N MET A 60 67.915 9.280 7.711 1.00 0.79 N ATOM 919 CA MET A 60 69.090 8.586 7.114 1.00 0.84 C ATOM 920 C MET A 60 69.136 8.832 5.604 1.00 0.82 C ATOM 921 O MET A 60 70.193 8.953 5.016 1.00 0.96 O ATOM 922 CB MET A 60 68.867 7.102 7.409 1.00 0.93 C ATOM 923 CG MET A 60 70.171 6.335 7.185 1.00 1.27 C ATOM 924 SD MET A 60 69.794 4.623 6.734 1.00 1.65 S ATOM 925 CE MET A 60 69.270 4.066 8.373 1.00 0.97 C ATOM 0 H MET A 60 67.237 8.670 8.167 1.00 0.79 H new ATOM 0 HA MET A 60 70.034 8.945 7.524 1.00 0.84 H new ATOM 0 HB2 MET A 60 68.528 6.972 8.437 1.00 0.93 H new ATOM 0 HB3 MET A 60 68.084 6.706 6.763 1.00 0.93 H new ATOM 0 HG2 MET A 60 70.754 6.810 6.396 1.00 1.27 H new ATOM 0 HG3 MET A 60 70.779 6.359 8.089 1.00 1.27 H new ATOM 0 HE1 MET A 60 69.985 3.338 8.756 1.00 0.97 H new ATOM 0 HE2 MET A 60 69.223 4.919 9.050 1.00 0.97 H new ATOM 0 HE3 MET A 60 68.285 3.604 8.303 1.00 0.97 H new ATOM 935 N ILE A 61 67.996 8.908 4.973 1.00 0.76 N ATOM 936 CA ILE A 61 67.971 9.148 3.501 1.00 0.78 C ATOM 937 C ILE A 61 68.481 10.557 3.186 1.00 0.77 C ATOM 938 O ILE A 61 69.067 10.798 2.149 1.00 0.82 O ATOM 939 CB ILE A 61 66.503 9.009 3.104 1.00 0.81 C ATOM 940 CG1 ILE A 61 66.065 7.552 3.269 1.00 0.90 C ATOM 941 CG2 ILE A 61 66.326 9.432 1.645 1.00 0.89 C ATOM 942 CD1 ILE A 61 64.577 7.426 2.938 1.00 0.98 C ATOM 0 H ILE A 61 67.080 8.814 5.413 1.00 0.76 H new ATOM 0 HA ILE A 61 68.609 8.451 2.957 1.00 0.78 H new ATOM 0 HB ILE A 61 65.893 9.647 3.744 1.00 0.81 H new ATOM 0 HG12 ILE A 61 66.650 6.909 2.612 1.00 0.90 H new ATOM 0 HG13 ILE A 61 66.251 7.219 4.290 1.00 0.90 H new ATOM 0 HG21 ILE A 61 65.278 9.333 1.362 1.00 0.89 H new ATOM 0 HG22 ILE A 61 66.637 10.470 1.527 1.00 0.89 H new ATOM 0 HG23 ILE A 61 66.937 8.795 1.005 1.00 0.89 H new ATOM 0 HD11 ILE A 61 64.265 6.388 3.055 1.00 0.98 H new ATOM 0 HD12 ILE A 61 63.999 8.057 3.613 1.00 0.98 H new ATOM 0 HD13 ILE A 61 64.405 7.742 1.909 1.00 0.98 H new ATOM 954 N ASP A 62 68.261 11.489 4.071 1.00 0.82 N ATOM 955 CA ASP A 62 68.731 12.881 3.821 1.00 0.90 C ATOM 956 C ASP A 62 70.250 12.902 3.630 1.00 0.85 C ATOM 957 O ASP A 62 70.770 13.612 2.791 1.00 0.91 O ATOM 958 CB ASP A 62 68.336 13.666 5.073 1.00 1.03 C ATOM 959 CG ASP A 62 67.279 14.709 4.709 1.00 1.58 C ATOM 960 OD1 ASP A 62 66.242 14.319 4.195 1.00 2.06 O ATOM 961 OD2 ASP A 62 67.523 15.880 4.949 1.00 2.24 O ATOM 0 H ASP A 62 67.776 11.347 4.957 1.00 0.82 H new ATOM 0 HA ASP A 62 68.293 13.307 2.919 1.00 0.90 H new ATOM 0 HB2 ASP A 62 67.947 12.988 5.832 1.00 1.03 H new ATOM 0 HB3 ASP A 62 69.212 14.154 5.500 1.00 1.03 H new ATOM 966 N GLU A 63 70.965 12.127 4.398 1.00 0.84 N ATOM 967 CA GLU A 63 72.446 12.099 4.257 1.00 0.91 C ATOM 968 C GLU A 63 72.839 11.094 3.166 1.00 1.01 C ATOM 969 O GLU A 63 73.913 11.162 2.602 1.00 1.32 O ATOM 970 CB GLU A 63 72.952 11.668 5.643 1.00 0.99 C ATOM 971 CG GLU A 63 74.202 10.794 5.511 1.00 1.35 C ATOM 972 CD GLU A 63 75.324 11.602 4.858 1.00 1.55 C ATOM 973 OE1 GLU A 63 75.546 12.723 5.285 1.00 2.14 O ATOM 974 OE2 GLU A 63 75.943 11.086 3.942 1.00 2.00 O ATOM 0 H GLU A 63 70.586 11.512 5.118 1.00 0.84 H new ATOM 0 HA GLU A 63 72.874 13.056 3.959 1.00 0.91 H new ATOM 0 HB2 GLU A 63 73.179 12.549 6.244 1.00 0.99 H new ATOM 0 HB3 GLU A 63 72.170 11.118 6.167 1.00 0.99 H new ATOM 0 HG2 GLU A 63 74.517 10.442 6.493 1.00 1.35 H new ATOM 0 HG3 GLU A 63 73.979 9.911 4.912 1.00 1.35 H new ATOM 981 N VAL A 64 71.972 10.166 2.865 1.00 0.92 N ATOM 982 CA VAL A 64 72.290 9.161 1.811 1.00 1.07 C ATOM 983 C VAL A 64 71.945 9.722 0.429 1.00 1.13 C ATOM 984 O VAL A 64 72.659 9.514 -0.533 1.00 1.54 O ATOM 985 CB VAL A 64 71.408 7.954 2.136 1.00 1.23 C ATOM 986 CG1 VAL A 64 71.334 7.029 0.921 1.00 2.24 C ATOM 987 CG2 VAL A 64 72.006 7.190 3.319 1.00 1.42 C ATOM 0 H VAL A 64 71.057 10.060 3.303 1.00 0.92 H new ATOM 0 HA VAL A 64 73.348 8.899 1.794 1.00 1.07 H new ATOM 0 HB VAL A 64 70.406 8.298 2.391 1.00 1.23 H new ATOM 0 HG11 VAL A 64 70.705 6.170 1.155 1.00 2.24 H new ATOM 0 HG12 VAL A 64 70.908 7.571 0.077 1.00 2.24 H new ATOM 0 HG13 VAL A 64 72.336 6.686 0.664 1.00 2.24 H new ATOM 0 HG21 VAL A 64 71.378 6.330 3.551 1.00 1.42 H new ATOM 0 HG22 VAL A 64 73.009 6.849 3.062 1.00 1.42 H new ATOM 0 HG23 VAL A 64 72.058 7.847 4.188 1.00 1.42 H new ATOM 997 N ASP A 65 70.856 10.431 0.325 1.00 1.00 N ATOM 998 CA ASP A 65 70.462 11.006 -0.993 1.00 1.14 C ATOM 999 C ASP A 65 70.837 12.488 -1.059 1.00 1.45 C ATOM 1000 O ASP A 65 69.992 13.346 -1.228 1.00 1.74 O ATOM 1001 CB ASP A 65 68.943 10.836 -1.062 1.00 1.21 C ATOM 1002 CG ASP A 65 68.607 9.516 -1.757 1.00 2.09 C ATOM 1003 OD1 ASP A 65 69.519 8.737 -1.980 1.00 2.63 O ATOM 1004 OD2 ASP A 65 67.443 9.308 -2.056 1.00 2.83 O ATOM 0 H ASP A 65 70.221 10.638 1.096 1.00 1.00 H new ATOM 0 HA ASP A 65 70.967 10.513 -1.824 1.00 1.14 H new ATOM 0 HB2 ASP A 65 68.519 10.848 -0.058 1.00 1.21 H new ATOM 0 HB3 ASP A 65 68.498 11.669 -1.606 1.00 1.21 H new ATOM 1009 N GLU A 66 72.097 12.799 -0.929 1.00 1.86 N ATOM 1010 CA GLU A 66 72.522 14.226 -0.986 1.00 2.47 C ATOM 1011 C GLU A 66 72.327 14.776 -2.401 1.00 2.75 C ATOM 1012 O GLU A 66 71.977 15.925 -2.589 1.00 3.27 O ATOM 1013 CB GLU A 66 74.005 14.216 -0.613 1.00 3.01 C ATOM 1014 CG GLU A 66 74.497 15.653 -0.432 1.00 3.52 C ATOM 1015 CD GLU A 66 75.579 15.957 -1.468 1.00 4.01 C ATOM 1016 OE1 GLU A 66 75.675 15.212 -2.430 1.00 4.48 O ATOM 1017 OE2 GLU A 66 76.293 16.928 -1.282 1.00 4.34 O ATOM 0 H GLU A 66 72.851 12.127 -0.786 1.00 1.86 H new ATOM 0 HA GLU A 66 71.940 14.858 -0.315 1.00 2.47 H new ATOM 0 HB2 GLU A 66 74.155 13.651 0.307 1.00 3.01 H new ATOM 0 HB3 GLU A 66 74.583 13.718 -1.391 1.00 3.01 H new ATOM 0 HG2 GLU A 66 73.666 16.350 -0.544 1.00 3.52 H new ATOM 0 HG3 GLU A 66 74.894 15.789 0.574 1.00 3.52 H new ATOM 1024 N ASP A 67 72.551 13.964 -3.398 1.00 2.74 N ATOM 1025 CA ASP A 67 72.378 14.437 -4.801 1.00 3.19 C ATOM 1026 C ASP A 67 71.215 13.694 -5.465 1.00 2.83 C ATOM 1027 O ASP A 67 70.651 14.148 -6.440 1.00 3.27 O ATOM 1028 CB ASP A 67 73.696 14.103 -5.499 1.00 4.15 C ATOM 1029 CG ASP A 67 74.091 12.660 -5.183 1.00 4.87 C ATOM 1030 OD1 ASP A 67 74.460 12.401 -4.049 1.00 5.28 O ATOM 1031 OD2 ASP A 67 74.016 11.836 -6.080 1.00 5.31 O ATOM 0 H ASP A 67 72.847 12.993 -3.301 1.00 2.74 H new ATOM 0 HA ASP A 67 72.150 15.501 -4.854 1.00 3.19 H new ATOM 0 HB2 ASP A 67 73.593 14.235 -6.576 1.00 4.15 H new ATOM 0 HB3 ASP A 67 74.478 14.786 -5.168 1.00 4.15 H new ATOM 1036 N GLY A 68 70.854 12.554 -4.943 1.00 2.35 N ATOM 1037 CA GLY A 68 69.729 11.783 -5.542 1.00 2.67 C ATOM 1038 C GLY A 68 68.482 12.667 -5.605 1.00 2.07 C ATOM 1039 O GLY A 68 67.562 12.405 -6.353 1.00 2.77 O ATOM 0 H GLY A 68 71.290 12.123 -4.127 1.00 2.35 H new ATOM 0 HA2 GLY A 68 69.998 11.444 -6.542 1.00 2.67 H new ATOM 0 HA3 GLY A 68 69.527 10.892 -4.947 1.00 2.67 H new ATOM 1043 N SER A 69 68.445 13.713 -4.826 1.00 1.42 N ATOM 1044 CA SER A 69 67.256 14.617 -4.838 1.00 1.79 C ATOM 1045 C SER A 69 66.049 13.914 -4.212 1.00 1.42 C ATOM 1046 O SER A 69 64.932 14.047 -4.674 1.00 1.97 O ATOM 1047 CB SER A 69 66.997 14.920 -6.314 1.00 2.79 C ATOM 1048 OG SER A 69 66.620 16.284 -6.454 1.00 3.72 O ATOM 0 H SER A 69 69.187 13.983 -4.180 1.00 1.42 H new ATOM 0 HA SER A 69 67.426 15.527 -4.262 1.00 1.79 H new ATOM 0 HB2 SER A 69 67.892 14.716 -6.902 1.00 2.79 H new ATOM 0 HB3 SER A 69 66.209 14.272 -6.698 1.00 2.79 H new ATOM 0 HG SER A 69 66.455 16.482 -7.399 1.00 3.72 H new ATOM 1054 N GLY A 70 66.263 13.171 -3.161 1.00 1.01 N ATOM 1055 CA GLY A 70 65.129 12.464 -2.502 1.00 1.07 C ATOM 1056 C GLY A 70 64.812 11.175 -3.262 1.00 0.84 C ATOM 1057 O GLY A 70 63.670 10.775 -3.373 1.00 0.87 O ATOM 0 H GLY A 70 67.175 13.023 -2.730 1.00 1.01 H new ATOM 0 HA2 GLY A 70 65.383 12.234 -1.467 1.00 1.07 H new ATOM 0 HA3 GLY A 70 64.251 13.109 -2.478 1.00 1.07 H new ATOM 1061 N THR A 71 65.811 10.519 -3.786 1.00 0.70 N ATOM 1062 CA THR A 71 65.559 9.254 -4.536 1.00 0.55 C ATOM 1063 C THR A 71 66.775 8.328 -4.439 1.00 0.54 C ATOM 1064 O THR A 71 67.899 8.741 -4.640 1.00 0.72 O ATOM 1065 CB THR A 71 65.328 9.691 -5.985 1.00 0.60 C ATOM 1066 OG1 THR A 71 66.493 10.340 -6.476 1.00 0.83 O ATOM 1067 CG2 THR A 71 64.142 10.655 -6.044 1.00 0.81 C ATOM 0 H THR A 71 66.789 10.803 -3.728 1.00 0.70 H new ATOM 0 HA THR A 71 64.709 8.700 -4.138 1.00 0.55 H new ATOM 0 HB THR A 71 65.115 8.816 -6.599 1.00 0.60 H new ATOM 0 HG1 THR A 71 66.539 11.249 -6.112 1.00 0.83 H new ATOM 0 HG21 THR A 71 63.977 10.966 -7.075 1.00 0.81 H new ATOM 0 HG22 THR A 71 63.249 10.156 -5.668 1.00 0.81 H new ATOM 0 HG23 THR A 71 64.354 11.530 -5.430 1.00 0.81 H new ATOM 1075 N VAL A 72 66.557 7.077 -4.132 1.00 0.52 N ATOM 1076 CA VAL A 72 67.703 6.125 -4.022 1.00 0.65 C ATOM 1077 C VAL A 72 67.688 5.114 -5.167 1.00 0.56 C ATOM 1078 O VAL A 72 66.724 4.989 -5.896 1.00 0.57 O ATOM 1079 CB VAL A 72 67.521 5.391 -2.690 1.00 0.92 C ATOM 1080 CG1 VAL A 72 68.092 6.239 -1.559 1.00 1.52 C ATOM 1081 CG2 VAL A 72 66.035 5.123 -2.427 1.00 1.23 C ATOM 0 H VAL A 72 65.638 6.673 -3.953 1.00 0.52 H new ATOM 0 HA VAL A 72 68.652 6.659 -4.071 1.00 0.65 H new ATOM 0 HB VAL A 72 68.048 4.438 -2.739 1.00 0.92 H new ATOM 0 HG11 VAL A 72 67.962 5.716 -0.611 1.00 1.52 H new ATOM 0 HG12 VAL A 72 69.153 6.413 -1.735 1.00 1.52 H new ATOM 0 HG13 VAL A 72 67.569 7.195 -1.521 1.00 1.52 H new ATOM 0 HG21 VAL A 72 65.922 4.601 -1.477 1.00 1.23 H new ATOM 0 HG22 VAL A 72 65.496 6.070 -2.387 1.00 1.23 H new ATOM 0 HG23 VAL A 72 65.629 4.508 -3.230 1.00 1.23 H new ATOM 1091 N ASP A 73 68.754 4.379 -5.307 1.00 0.64 N ATOM 1092 CA ASP A 73 68.828 3.350 -6.380 1.00 0.70 C ATOM 1093 C ASP A 73 69.274 2.024 -5.764 1.00 0.70 C ATOM 1094 O ASP A 73 69.371 1.896 -4.560 1.00 0.71 O ATOM 1095 CB ASP A 73 69.878 3.873 -7.363 1.00 0.85 C ATOM 1096 CG ASP A 73 71.241 3.929 -6.672 1.00 1.25 C ATOM 1097 OD1 ASP A 73 71.264 4.041 -5.457 1.00 1.72 O ATOM 1098 OD2 ASP A 73 72.240 3.861 -7.369 1.00 1.91 O ATOM 0 H ASP A 73 69.585 4.448 -4.719 1.00 0.64 H new ATOM 0 HA ASP A 73 67.872 3.180 -6.876 1.00 0.70 H new ATOM 0 HB2 ASP A 73 69.928 3.224 -8.237 1.00 0.85 H new ATOM 0 HB3 ASP A 73 69.597 4.865 -7.718 1.00 0.85 H new ATOM 1103 N PHE A 74 69.552 1.035 -6.565 1.00 0.81 N ATOM 1104 CA PHE A 74 69.995 -0.266 -5.990 1.00 0.87 C ATOM 1105 C PHE A 74 71.379 -0.113 -5.359 1.00 0.76 C ATOM 1106 O PHE A 74 71.838 -0.968 -4.628 1.00 0.74 O ATOM 1107 CB PHE A 74 70.040 -1.236 -7.172 1.00 1.04 C ATOM 1108 CG PHE A 74 70.084 -2.654 -6.656 1.00 1.34 C ATOM 1109 CD1 PHE A 74 68.991 -3.180 -5.959 1.00 2.11 C ATOM 1110 CD2 PHE A 74 71.220 -3.445 -6.877 1.00 2.16 C ATOM 1111 CE1 PHE A 74 69.032 -4.496 -5.481 1.00 3.02 C ATOM 1112 CE2 PHE A 74 71.260 -4.760 -6.399 1.00 3.14 C ATOM 1113 CZ PHE A 74 70.166 -5.285 -5.701 1.00 3.42 C ATOM 0 H PHE A 74 69.493 1.069 -7.583 1.00 0.81 H new ATOM 0 HA PHE A 74 69.326 -0.622 -5.207 1.00 0.87 H new ATOM 0 HB2 PHE A 74 69.164 -1.095 -7.806 1.00 1.04 H new ATOM 0 HB3 PHE A 74 70.916 -1.034 -7.789 1.00 1.04 H new ATOM 0 HD1 PHE A 74 68.115 -2.571 -5.789 1.00 2.11 H new ATOM 0 HD2 PHE A 74 72.064 -3.040 -7.416 1.00 2.16 H new ATOM 0 HE1 PHE A 74 68.188 -4.902 -4.943 1.00 3.02 H new ATOM 0 HE2 PHE A 74 72.135 -5.370 -6.569 1.00 3.14 H new ATOM 0 HZ PHE A 74 70.197 -6.300 -5.332 1.00 3.42 H new ATOM 1123 N ASP A 75 72.044 0.977 -5.628 1.00 0.79 N ATOM 1124 CA ASP A 75 73.395 1.192 -5.034 1.00 0.78 C ATOM 1125 C ASP A 75 73.256 1.841 -3.656 1.00 0.71 C ATOM 1126 O ASP A 75 73.938 1.482 -2.717 1.00 0.67 O ATOM 1127 CB ASP A 75 74.110 2.134 -6.003 1.00 0.96 C ATOM 1128 CG ASP A 75 73.929 1.632 -7.436 1.00 1.50 C ATOM 1129 OD1 ASP A 75 73.754 0.436 -7.607 1.00 1.99 O ATOM 1130 OD2 ASP A 75 73.969 2.451 -8.340 1.00 2.18 O ATOM 0 H ASP A 75 71.711 1.728 -6.233 1.00 0.79 H new ATOM 0 HA ASP A 75 73.945 0.261 -4.898 1.00 0.78 H new ATOM 0 HB2 ASP A 75 73.709 3.143 -5.907 1.00 0.96 H new ATOM 0 HB3 ASP A 75 75.171 2.188 -5.757 1.00 0.96 H new ATOM 1135 N GLU A 76 72.371 2.792 -3.528 1.00 0.74 N ATOM 1136 CA GLU A 76 72.181 3.462 -2.211 1.00 0.72 C ATOM 1137 C GLU A 76 71.365 2.563 -1.277 1.00 0.61 C ATOM 1138 O GLU A 76 71.794 2.232 -0.190 1.00 0.60 O ATOM 1139 CB GLU A 76 71.410 4.745 -2.527 1.00 0.82 C ATOM 1140 CG GLU A 76 72.265 5.650 -3.415 1.00 0.96 C ATOM 1141 CD GLU A 76 72.488 6.992 -2.713 1.00 1.36 C ATOM 1142 OE1 GLU A 76 71.564 7.464 -2.072 1.00 2.14 O ATOM 1143 OE2 GLU A 76 73.580 7.523 -2.828 1.00 2.01 O ATOM 0 H GLU A 76 71.771 3.134 -4.279 1.00 0.74 H new ATOM 0 HA GLU A 76 73.127 3.668 -1.711 1.00 0.72 H new ATOM 0 HB2 GLU A 76 70.473 4.504 -3.030 1.00 0.82 H new ATOM 0 HB3 GLU A 76 71.152 5.263 -1.603 1.00 0.82 H new ATOM 0 HG2 GLU A 76 73.223 5.173 -3.623 1.00 0.96 H new ATOM 0 HG3 GLU A 76 71.772 5.807 -4.374 1.00 0.96 H new ATOM 1150 N PHE A 77 70.193 2.166 -1.694 1.00 0.60 N ATOM 1151 CA PHE A 77 69.353 1.289 -0.828 1.00 0.54 C ATOM 1152 C PHE A 77 70.213 0.200 -0.180 1.00 0.48 C ATOM 1153 O PHE A 77 70.326 0.121 1.027 1.00 0.55 O ATOM 1154 CB PHE A 77 68.325 0.667 -1.772 1.00 0.61 C ATOM 1155 CG PHE A 77 67.443 -0.284 -0.999 1.00 0.67 C ATOM 1156 CD1 PHE A 77 66.537 0.213 -0.055 1.00 1.52 C ATOM 1157 CD2 PHE A 77 67.530 -1.663 -1.228 1.00 1.30 C ATOM 1158 CE1 PHE A 77 65.719 -0.669 0.662 1.00 1.78 C ATOM 1159 CE2 PHE A 77 66.712 -2.544 -0.512 1.00 1.38 C ATOM 1160 CZ PHE A 77 65.807 -2.048 0.434 1.00 1.25 C ATOM 0 H PHE A 77 69.781 2.410 -2.595 1.00 0.60 H new ATOM 0 HA PHE A 77 68.880 1.843 -0.017 1.00 0.54 H new ATOM 0 HB2 PHE A 77 67.720 1.447 -2.233 1.00 0.61 H new ATOM 0 HB3 PHE A 77 68.830 0.137 -2.579 1.00 0.61 H new ATOM 0 HD1 PHE A 77 66.469 1.276 0.120 1.00 1.52 H new ATOM 0 HD2 PHE A 77 68.228 -2.046 -1.957 1.00 1.30 H new ATOM 0 HE1 PHE A 77 65.020 -0.286 1.391 1.00 1.78 H new ATOM 0 HE2 PHE A 77 66.779 -3.607 -0.689 1.00 1.38 H new ATOM 0 HZ PHE A 77 65.177 -2.728 0.988 1.00 1.25 H new ATOM 1170 N LEU A 78 70.819 -0.641 -0.973 1.00 0.46 N ATOM 1171 CA LEU A 78 71.669 -1.726 -0.402 1.00 0.49 C ATOM 1172 C LEU A 78 72.567 -1.173 0.708 1.00 0.48 C ATOM 1173 O LEU A 78 72.618 -1.706 1.799 1.00 0.54 O ATOM 1174 CB LEU A 78 72.513 -2.225 -1.575 1.00 0.56 C ATOM 1175 CG LEU A 78 71.990 -3.586 -2.036 1.00 0.78 C ATOM 1176 CD1 LEU A 78 70.906 -3.383 -3.096 1.00 1.70 C ATOM 1177 CD2 LEU A 78 73.143 -4.397 -2.633 1.00 0.70 C ATOM 0 H LEU A 78 70.763 -0.624 -1.991 1.00 0.46 H new ATOM 0 HA LEU A 78 71.074 -2.523 0.043 1.00 0.49 H new ATOM 0 HB2 LEU A 78 72.472 -1.510 -2.397 1.00 0.56 H new ATOM 0 HB3 LEU A 78 73.558 -2.307 -1.276 1.00 0.56 H new ATOM 0 HG LEU A 78 71.569 -4.122 -1.186 1.00 0.78 H new ATOM 0 HD11 LEU A 78 70.533 -4.353 -3.425 1.00 1.70 H new ATOM 0 HD12 LEU A 78 70.086 -2.804 -2.672 1.00 1.70 H new ATOM 0 HD13 LEU A 78 71.326 -2.848 -3.948 1.00 1.70 H new ATOM 0 HD21 LEU A 78 72.773 -5.368 -2.962 1.00 0.70 H new ATOM 0 HD22 LEU A 78 73.563 -3.861 -3.484 1.00 0.70 H new ATOM 0 HD23 LEU A 78 73.916 -4.541 -1.878 1.00 0.70 H new ATOM 1189 N VAL A 79 73.275 -0.111 0.440 1.00 0.46 N ATOM 1190 CA VAL A 79 74.168 0.470 1.483 1.00 0.51 C ATOM 1191 C VAL A 79 73.354 0.863 2.718 1.00 0.53 C ATOM 1192 O VAL A 79 73.824 0.780 3.836 1.00 0.64 O ATOM 1193 CB VAL A 79 74.784 1.709 0.833 1.00 0.54 C ATOM 1194 CG1 VAL A 79 75.806 2.330 1.787 1.00 0.67 C ATOM 1195 CG2 VAL A 79 75.482 1.307 -0.467 1.00 0.62 C ATOM 0 H VAL A 79 73.274 0.379 -0.454 1.00 0.46 H new ATOM 0 HA VAL A 79 74.928 -0.237 1.815 1.00 0.51 H new ATOM 0 HB VAL A 79 74.000 2.434 0.617 1.00 0.54 H new ATOM 0 HG11 VAL A 79 76.246 3.214 1.324 1.00 0.67 H new ATOM 0 HG12 VAL A 79 75.311 2.615 2.715 1.00 0.67 H new ATOM 0 HG13 VAL A 79 76.591 1.605 2.002 1.00 0.67 H new ATOM 0 HG21 VAL A 79 75.922 2.189 -0.932 1.00 0.62 H new ATOM 0 HG22 VAL A 79 76.267 0.582 -0.250 1.00 0.62 H new ATOM 0 HG23 VAL A 79 74.756 0.862 -1.147 1.00 0.62 H new ATOM 1205 N MET A 80 72.137 1.288 2.524 1.00 0.52 N ATOM 1206 CA MET A 80 71.293 1.686 3.687 1.00 0.60 C ATOM 1207 C MET A 80 70.804 0.443 4.435 1.00 0.62 C ATOM 1208 O MET A 80 70.535 0.485 5.619 1.00 0.71 O ATOM 1209 CB MET A 80 70.113 2.445 3.079 1.00 0.66 C ATOM 1210 CG MET A 80 70.558 3.857 2.693 1.00 1.11 C ATOM 1211 SD MET A 80 69.367 5.059 3.335 1.00 1.23 S ATOM 1212 CE MET A 80 67.997 4.630 2.233 1.00 0.86 C ATOM 0 H MET A 80 71.690 1.377 1.612 1.00 0.52 H new ATOM 0 HA MET A 80 71.841 2.294 4.406 1.00 0.60 H new ATOM 0 HB2 MET A 80 69.741 1.917 2.201 1.00 0.66 H new ATOM 0 HB3 MET A 80 69.291 2.494 3.794 1.00 0.66 H new ATOM 0 HG2 MET A 80 71.550 4.061 3.096 1.00 1.11 H new ATOM 0 HG3 MET A 80 70.631 3.944 1.609 1.00 1.11 H new ATOM 0 HE1 MET A 80 67.811 5.455 1.546 1.00 0.86 H new ATOM 0 HE2 MET A 80 68.253 3.736 1.665 1.00 0.86 H new ATOM 0 HE3 MET A 80 67.101 4.440 2.824 1.00 0.86 H new ATOM 1222 N MET A 81 70.691 -0.664 3.754 1.00 0.61 N ATOM 1223 CA MET A 81 70.220 -1.908 4.427 1.00 0.72 C ATOM 1224 C MET A 81 71.354 -2.523 5.252 1.00 0.79 C ATOM 1225 O MET A 81 71.204 -2.792 6.427 1.00 0.91 O ATOM 1226 CB MET A 81 69.812 -2.846 3.290 1.00 0.75 C ATOM 1227 CG MET A 81 68.306 -3.103 3.356 1.00 1.01 C ATOM 1228 SD MET A 81 67.882 -3.783 4.980 1.00 1.71 S ATOM 1229 CE MET A 81 66.644 -4.974 4.410 1.00 1.66 C ATOM 0 H MET A 81 70.904 -0.761 2.761 1.00 0.61 H new ATOM 0 HA MET A 81 69.394 -1.719 5.113 1.00 0.72 H new ATOM 0 HB2 MET A 81 70.075 -2.405 2.328 1.00 0.75 H new ATOM 0 HB3 MET A 81 70.356 -3.787 3.368 1.00 0.75 H new ATOM 0 HG2 MET A 81 67.760 -2.175 3.184 1.00 1.01 H new ATOM 0 HG3 MET A 81 68.010 -3.798 2.570 1.00 1.01 H new ATOM 0 HE1 MET A 81 65.848 -5.054 5.150 1.00 1.66 H new ATOM 0 HE2 MET A 81 66.225 -4.637 3.462 1.00 1.66 H new ATOM 0 HE3 MET A 81 67.112 -5.949 4.274 1.00 1.66 H new ATOM 1239 N VAL A 82 72.488 -2.747 4.646 1.00 0.78 N ATOM 1240 CA VAL A 82 73.630 -3.343 5.398 1.00 0.90 C ATOM 1241 C VAL A 82 73.917 -2.523 6.657 1.00 0.94 C ATOM 1242 O VAL A 82 74.494 -3.010 7.609 1.00 1.13 O ATOM 1243 CB VAL A 82 74.815 -3.280 4.435 1.00 0.98 C ATOM 1244 CG1 VAL A 82 74.564 -4.220 3.255 1.00 1.83 C ATOM 1245 CG2 VAL A 82 74.976 -1.849 3.920 1.00 1.38 C ATOM 0 H VAL A 82 72.674 -2.544 3.664 1.00 0.78 H new ATOM 0 HA VAL A 82 73.424 -4.363 5.723 1.00 0.90 H new ATOM 0 HB VAL A 82 75.723 -3.585 4.955 1.00 0.98 H new ATOM 0 HG11 VAL A 82 75.409 -4.175 2.568 1.00 1.83 H new ATOM 0 HG12 VAL A 82 74.447 -5.240 3.621 1.00 1.83 H new ATOM 0 HG13 VAL A 82 73.656 -3.916 2.734 1.00 1.83 H new ATOM 0 HG21 VAL A 82 75.821 -1.802 3.233 1.00 1.38 H new ATOM 0 HG22 VAL A 82 74.068 -1.545 3.399 1.00 1.38 H new ATOM 0 HG23 VAL A 82 75.154 -1.178 4.760 1.00 1.38 H new ATOM 1255 N ARG A 83 73.518 -1.280 6.670 1.00 0.84 N ATOM 1256 CA ARG A 83 73.768 -0.429 7.869 1.00 0.93 C ATOM 1257 C ARG A 83 72.844 -0.848 9.015 1.00 0.93 C ATOM 1258 O ARG A 83 73.289 -1.174 10.097 1.00 1.23 O ATOM 1259 CB ARG A 83 73.453 0.997 7.417 1.00 0.95 C ATOM 1260 CG ARG A 83 73.942 1.987 8.477 1.00 1.53 C ATOM 1261 CD ARG A 83 74.362 3.295 7.800 1.00 1.50 C ATOM 1262 NE ARG A 83 73.903 4.368 8.723 1.00 1.75 N ATOM 1263 CZ ARG A 83 74.467 5.545 8.689 1.00 2.02 C ATOM 1264 NH1 ARG A 83 75.565 5.762 9.360 1.00 2.58 N ATOM 1265 NH2 ARG A 83 73.933 6.505 7.983 1.00 2.44 N ATOM 0 H ARG A 83 73.030 -0.817 5.903 1.00 0.84 H new ATOM 0 HA ARG A 83 74.790 -0.522 8.236 1.00 0.93 H new ATOM 0 HB2 ARG A 83 73.936 1.202 6.462 1.00 0.95 H new ATOM 0 HB3 ARG A 83 72.380 1.113 7.263 1.00 0.95 H new ATOM 0 HG2 ARG A 83 73.152 2.178 9.203 1.00 1.53 H new ATOM 0 HG3 ARG A 83 74.783 1.563 9.026 1.00 1.53 H new ATOM 0 HD2 ARG A 83 75.441 3.335 7.653 1.00 1.50 H new ATOM 0 HD3 ARG A 83 73.903 3.396 6.817 1.00 1.50 H new ATOM 0 HE ARG A 83 73.147 4.184 9.383 1.00 1.75 H new ATOM 0 HH11 ARG A 83 75.983 5.012 9.911 1.00 2.58 H new ATOM 0 HH12 ARG A 83 76.006 6.682 9.333 1.00 2.58 H new ATOM 0 HH21 ARG A 83 73.075 6.335 7.458 1.00 2.44 H new ATOM 0 HH22 ARG A 83 74.374 7.424 7.957 1.00 2.44 H new ATOM 1279 N CYS A 84 71.559 -0.841 8.786 1.00 0.81 N ATOM 1280 CA CYS A 84 70.606 -1.239 9.862 1.00 0.94 C ATOM 1281 C CYS A 84 70.831 -2.702 10.253 1.00 1.01 C ATOM 1282 O CYS A 84 71.497 -3.000 11.225 1.00 1.67 O ATOM 1283 CB CYS A 84 69.218 -1.055 9.251 1.00 1.20 C ATOM 1284 SG CYS A 84 68.775 0.700 9.277 1.00 1.56 S ATOM 0 H CYS A 84 71.127 -0.577 7.900 1.00 0.81 H new ATOM 0 HA CYS A 84 70.734 -0.645 10.767 1.00 0.94 H new ATOM 0 HB2 CYS A 84 69.207 -1.429 8.227 1.00 1.20 H new ATOM 0 HB3 CYS A 84 68.483 -1.635 9.810 1.00 1.20 H new ATOM 0 HG CYS A 84 67.595 0.857 8.755 1.00 1.56 H new ATOM 1290 N MET A 85 70.281 -3.618 9.502 1.00 1.25 N ATOM 1291 CA MET A 85 70.463 -5.061 9.830 1.00 1.43 C ATOM 1292 C MET A 85 70.189 -5.306 11.317 1.00 1.78 C ATOM 1293 O MET A 85 71.067 -5.190 12.148 1.00 2.66 O ATOM 1294 CB MET A 85 71.925 -5.362 9.497 1.00 1.49 C ATOM 1295 CG MET A 85 72.020 -5.918 8.075 1.00 1.71 C ATOM 1296 SD MET A 85 71.107 -7.478 7.975 1.00 1.93 S ATOM 1297 CE MET A 85 71.571 -7.903 6.279 1.00 1.59 C ATOM 0 H MET A 85 69.714 -3.429 8.676 1.00 1.25 H new ATOM 0 HA MET A 85 69.778 -5.700 9.273 1.00 1.43 H new ATOM 0 HB2 MET A 85 72.523 -4.455 9.585 1.00 1.49 H new ATOM 0 HB3 MET A 85 72.330 -6.082 10.208 1.00 1.49 H new ATOM 0 HG2 MET A 85 71.612 -5.199 7.364 1.00 1.71 H new ATOM 0 HG3 MET A 85 73.064 -6.077 7.804 1.00 1.71 H new ATOM 0 HE1 MET A 85 71.109 -8.851 6.002 1.00 1.59 H new ATOM 0 HE2 MET A 85 71.229 -7.121 5.601 1.00 1.59 H new ATOM 0 HE3 MET A 85 72.655 -7.994 6.210 1.00 1.59 H new ATOM 1307 N LYS A 86 68.975 -5.647 11.656 1.00 1.64 N ATOM 1308 CA LYS A 86 68.643 -5.900 13.088 1.00 2.09 C ATOM 1309 C LYS A 86 67.371 -6.746 13.194 1.00 1.80 C ATOM 1310 O LYS A 86 66.380 -6.476 12.546 1.00 2.13 O ATOM 1311 CB LYS A 86 68.419 -4.514 13.694 1.00 2.91 C ATOM 1312 CG LYS A 86 69.348 -4.326 14.896 1.00 3.84 C ATOM 1313 CD LYS A 86 68.807 -5.117 16.088 1.00 4.67 C ATOM 1314 CE LYS A 86 68.049 -4.176 17.026 1.00 5.16 C ATOM 1315 NZ LYS A 86 67.915 -4.930 18.303 1.00 6.26 N ATOM 0 H LYS A 86 68.199 -5.761 11.004 1.00 1.64 H new ATOM 0 HA LYS A 86 69.432 -6.447 13.605 1.00 2.09 H new ATOM 0 HB2 LYS A 86 68.612 -3.744 12.948 1.00 2.91 H new ATOM 0 HB3 LYS A 86 67.380 -4.404 14.004 1.00 2.91 H new ATOM 0 HG2 LYS A 86 70.354 -4.664 14.648 1.00 3.84 H new ATOM 0 HG3 LYS A 86 69.421 -3.269 15.151 1.00 3.84 H new ATOM 0 HD2 LYS A 86 68.146 -5.911 15.741 1.00 4.67 H new ATOM 0 HD3 LYS A 86 69.628 -5.596 16.622 1.00 4.67 H new ATOM 0 HE2 LYS A 86 68.593 -3.243 17.174 1.00 5.16 H new ATOM 0 HE3 LYS A 86 67.073 -3.914 16.618 1.00 5.16 H new ATOM 0 HZ1 LYS A 86 67.404 -4.348 18.998 1.00 6.26 H new ATOM 0 HZ2 LYS A 86 67.387 -5.810 18.133 1.00 6.26 H new ATOM 0 HZ3 LYS A 86 68.860 -5.159 18.671 1.00 6.26 H new ATOM 1329 N ASP A 87 67.392 -7.768 14.005 1.00 2.28 N ATOM 1330 CA ASP A 87 66.184 -8.631 14.150 1.00 2.97 C ATOM 1331 C ASP A 87 65.154 -7.952 15.056 1.00 3.59 C ATOM 1332 O ASP A 87 65.460 -7.018 15.769 1.00 4.32 O ATOM 1333 CB ASP A 87 66.695 -9.922 14.792 1.00 3.76 C ATOM 1334 CG ASP A 87 66.600 -11.067 13.782 1.00 4.49 C ATOM 1335 OD1 ASP A 87 66.981 -10.857 12.642 1.00 4.78 O ATOM 1336 OD2 ASP A 87 66.149 -12.133 14.166 1.00 5.14 O ATOM 0 H ASP A 87 68.193 -8.043 14.574 1.00 2.28 H new ATOM 0 HA ASP A 87 65.692 -8.817 13.195 1.00 2.97 H new ATOM 0 HB2 ASP A 87 67.727 -9.795 15.117 1.00 3.76 H new ATOM 0 HB3 ASP A 87 66.108 -10.156 15.680 1.00 3.76 H new ATOM 1341 N ASP A 88 63.933 -8.414 15.030 1.00 3.80 N ATOM 1342 CA ASP A 88 62.884 -7.794 15.890 1.00 4.81 C ATOM 1343 C ASP A 88 62.834 -6.282 15.653 1.00 5.29 C ATOM 1344 O ASP A 88 63.626 -5.534 16.190 1.00 5.56 O ATOM 1345 CB ASP A 88 63.315 -8.099 17.324 1.00 5.52 C ATOM 1346 CG ASP A 88 62.091 -8.495 18.151 1.00 6.22 C ATOM 1347 OD1 ASP A 88 61.040 -7.917 17.931 1.00 6.55 O ATOM 1348 OD2 ASP A 88 62.226 -9.370 18.990 1.00 6.70 O ATOM 0 H ASP A 88 63.617 -9.192 14.452 1.00 3.80 H new ATOM 0 HA ASP A 88 61.889 -8.183 15.674 1.00 4.81 H new ATOM 0 HB2 ASP A 88 64.048 -8.905 17.331 1.00 5.52 H new ATOM 0 HB3 ASP A 88 63.797 -7.226 17.764 1.00 5.52 H new ATOM 1353 N SER A 89 61.907 -5.827 14.856 1.00 5.81 N ATOM 1354 CA SER A 89 61.809 -4.363 14.587 1.00 6.66 C ATOM 1355 C SER A 89 63.161 -3.819 14.118 1.00 7.11 C ATOM 1356 O SER A 89 63.994 -4.619 13.725 1.00 7.53 O ATOM 1357 CB SER A 89 61.415 -3.741 15.927 1.00 7.31 C ATOM 1358 OG SER A 89 60.095 -3.223 15.835 1.00 7.59 O ATOM 1359 OXT SER A 89 63.339 -2.613 14.162 1.00 7.31 O ATOM 0 H SER A 89 61.214 -6.404 14.380 1.00 5.81 H new ATOM 0 HA SER A 89 61.087 -4.134 13.803 1.00 6.66 H new ATOM 0 HB2 SER A 89 61.470 -4.489 16.718 1.00 7.31 H new ATOM 0 HB3 SER A 89 62.112 -2.946 16.191 1.00 7.31 H new ATOM 0 HG SER A 89 59.839 -2.825 16.693 1.00 7.59 H new TER 1365 SER A 89