USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 670 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 80 TYR OH : rot -127:sc= 0.168 USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 32 SER OG : rot 180:sc= -0.055 USER MOD Set 2.2: A 34 THR OG1 : rot 64:sc= 0.326 USER MOD Set 2.3: A 35 THR OG1 : rot -160:sc= -0.6 USER MOD Set 3.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 160:sc= -0.643 USER MOD Single : A 10 LYS NZ :NH3+ 166:sc= -0.0018 (180deg=-0.0914) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 14 MET CE :methyl -174:sc= -2.05 (180deg=-2.11!) USER MOD Single : A 20 CYS SG : rot 85:sc= -0.429 USER MOD Single : A 22 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0729) USER MOD Single : A 24 ASN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.8) USER MOD Single : A 28 LYS NZ :NH3+ -176:sc= -0.0513 (180deg=-0.0973) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 36 ASN : amide:sc= -0.99 K(o=-0.99,f=-7.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00693 USER MOD Single : A 53 MET CE :methyl 152:sc= -0.191 (180deg=-0.903) USER MOD Single : A 60 SER OG : rot -50:sc= 0.39 USER MOD Single : A 64 SER OG : rot 99:sc= 1.2 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0499) USER MOD Single : A 73 THR OG1 : rot -99:sc= 0.298 USER MOD Single : A 78 CYS SG : rot -28:sc= -0.462 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.141 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -5.677 -3.703 3.326 1.00 52.34 N ATOM 2 CA PRO A 1 -4.958 -4.002 2.084 1.00 33.32 C ATOM 3 C PRO A 1 -5.889 -4.478 0.975 1.00 25.01 C ATOM 4 O PRO A 1 -7.097 -4.600 1.175 1.00 60.42 O ATOM 5 CB PRO A 1 -3.996 -5.121 2.493 1.00 71.02 C ATOM 6 CG PRO A 1 -4.647 -5.772 3.663 1.00 74.43 C ATOM 7 CD PRO A 1 -5.383 -4.679 4.389 1.00 30.13 C ATOM 0 H2 PRO A 1 -6.680 -3.695 3.142 1.00 52.34 H new ATOM 0 H3 PRO A 1 -5.425 -2.768 3.646 1.00 52.34 H new ATOM 0 HA PRO A 1 -4.461 -3.121 1.678 1.00 33.32 H new ATOM 0 HB2 PRO A 1 -3.845 -5.830 1.679 1.00 71.02 H new ATOM 0 HB3 PRO A 1 -3.016 -4.724 2.756 1.00 71.02 H new ATOM 0 HG2 PRO A 1 -5.332 -6.557 3.342 1.00 74.43 H new ATOM 0 HG3 PRO A 1 -3.906 -6.241 4.311 1.00 74.43 H new ATOM 0 HD2 PRO A 1 -6.295 -5.050 4.857 1.00 30.13 H new ATOM 0 HD3 PRO A 1 -4.774 -4.241 5.180 1.00 30.13 H new ATOM 15 N GLY A 2 -5.319 -4.747 -0.195 1.00 34.43 N ATOM 16 CA GLY A 2 -6.113 -5.208 -1.320 1.00 52.43 C ATOM 17 C GLY A 2 -5.396 -5.040 -2.644 1.00 71.25 C ATOM 18 O GLY A 2 -5.839 -4.281 -3.506 1.00 34.30 O ATOM 0 H GLY A 2 -4.321 -4.654 -0.385 1.00 34.43 H new ATOM 0 HA2 GLY A 2 -6.364 -6.259 -1.177 1.00 52.43 H new ATOM 0 HA3 GLY A 2 -7.053 -4.657 -1.347 1.00 52.43 H new ATOM 22 N SER A 3 -4.284 -5.749 -2.807 1.00 72.21 N ATOM 23 CA SER A 3 -3.500 -5.671 -4.035 1.00 61.54 C ATOM 24 C SER A 3 -3.347 -7.050 -4.670 1.00 62.44 C ATOM 25 O SER A 3 -3.773 -8.057 -4.105 1.00 61.12 O ATOM 26 CB SER A 3 -2.122 -5.074 -3.748 1.00 31.31 C ATOM 27 OG SER A 3 -1.339 -5.954 -2.959 1.00 12.05 O ATOM 0 H SER A 3 -3.905 -6.384 -2.104 1.00 72.21 H new ATOM 0 HA SER A 3 -4.030 -5.024 -4.735 1.00 61.54 H new ATOM 0 HB2 SER A 3 -1.609 -4.868 -4.687 1.00 31.31 H new ATOM 0 HB3 SER A 3 -2.236 -4.121 -3.231 1.00 31.31 H new ATOM 0 HG SER A 3 -0.462 -5.550 -2.791 1.00 12.05 H new ATOM 33 N MET A 4 -2.737 -7.087 -5.850 1.00 71.22 N ATOM 34 CA MET A 4 -2.526 -8.341 -6.562 1.00 10.34 C ATOM 35 C MET A 4 -1.714 -9.317 -5.717 1.00 13.52 C ATOM 36 O MET A 4 -1.876 -10.532 -5.827 1.00 10.30 O ATOM 37 CB MET A 4 -1.813 -8.084 -7.892 1.00 21.22 C ATOM 38 CG MET A 4 -2.613 -7.221 -8.853 1.00 65.30 C ATOM 39 SD MET A 4 -4.137 -8.017 -9.397 1.00 72.13 S ATOM 40 CE MET A 4 -3.531 -9.018 -10.752 1.00 41.52 C ATOM 0 H MET A 4 -2.380 -6.263 -6.333 1.00 71.22 H new ATOM 0 HA MET A 4 -3.501 -8.785 -6.761 1.00 10.34 H new ATOM 0 HB2 MET A 4 -0.856 -7.602 -7.694 1.00 21.22 H new ATOM 0 HB3 MET A 4 -1.596 -9.040 -8.369 1.00 21.22 H new ATOM 0 HG2 MET A 4 -2.855 -6.274 -8.370 1.00 65.30 H new ATOM 0 HG3 MET A 4 -1.999 -6.988 -9.723 1.00 65.30 H new ATOM 0 HE1 MET A 4 -4.359 -9.573 -11.193 1.00 41.52 H new ATOM 0 HE2 MET A 4 -3.082 -8.374 -11.508 1.00 41.52 H new ATOM 0 HE3 MET A 4 -2.782 -9.718 -10.381 1.00 41.52 H new ATOM 50 N VAL A 5 -0.839 -8.777 -4.874 1.00 50.34 N ATOM 51 CA VAL A 5 -0.003 -9.600 -4.009 1.00 72.33 C ATOM 52 C VAL A 5 -0.850 -10.424 -3.048 1.00 44.51 C ATOM 53 O VAL A 5 -1.940 -10.010 -2.654 1.00 2.23 O ATOM 54 CB VAL A 5 0.985 -8.739 -3.199 1.00 11.11 C ATOM 55 CG1 VAL A 5 1.975 -9.621 -2.454 1.00 21.20 C ATOM 56 CG2 VAL A 5 1.709 -7.759 -4.109 1.00 11.22 C ATOM 0 H VAL A 5 -0.691 -7.773 -4.772 1.00 50.34 H new ATOM 0 HA VAL A 5 0.560 -10.271 -4.658 1.00 72.33 H new ATOM 0 HB VAL A 5 0.421 -8.165 -2.463 1.00 11.11 H new ATOM 0 HG11 VAL A 5 2.665 -8.996 -1.888 1.00 21.20 H new ATOM 0 HG12 VAL A 5 1.435 -10.277 -1.771 1.00 21.20 H new ATOM 0 HG13 VAL A 5 2.535 -10.224 -3.169 1.00 21.20 H new ATOM 0 HG21 VAL A 5 2.403 -7.159 -3.519 1.00 11.22 H new ATOM 0 HG22 VAL A 5 2.262 -8.310 -4.870 1.00 11.22 H new ATOM 0 HG23 VAL A 5 0.982 -7.105 -4.590 1.00 11.22 H new ATOM 66 N SER A 6 -0.342 -11.593 -2.672 1.00 10.42 N ATOM 67 CA SER A 6 -1.054 -12.479 -1.757 1.00 13.32 C ATOM 68 C SER A 6 -0.753 -12.117 -0.306 1.00 1.55 C ATOM 69 O SER A 6 0.285 -12.494 0.236 1.00 70.20 O ATOM 70 CB SER A 6 -0.669 -13.936 -2.021 1.00 31.11 C ATOM 71 OG SER A 6 -1.567 -14.825 -1.382 1.00 12.30 O ATOM 0 H SER A 6 0.560 -11.949 -2.987 1.00 10.42 H new ATOM 0 HA SER A 6 -2.123 -12.356 -1.930 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.667 -14.126 -3.094 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.344 -14.118 -1.663 1.00 31.11 H new ATOM 0 HG SER A 6 -1.511 -15.707 -1.805 1.00 12.30 H new ATOM 77 N GLU A 7 -1.670 -11.382 0.315 1.00 25.12 N ATOM 78 CA GLU A 7 -1.503 -10.967 1.703 1.00 23.40 C ATOM 79 C GLU A 7 -1.310 -12.177 2.613 1.00 11.43 C ATOM 80 O GLU A 7 -0.518 -12.139 3.553 1.00 4.20 O ATOM 81 CB GLU A 7 -2.715 -10.155 2.165 1.00 61.41 C ATOM 82 CG GLU A 7 -4.035 -10.893 2.015 1.00 52.15 C ATOM 83 CD GLU A 7 -5.163 -9.984 1.567 1.00 32.24 C ATOM 84 OE1 GLU A 7 -4.919 -9.117 0.702 1.00 13.40 O ATOM 85 OE2 GLU A 7 -6.291 -10.138 2.081 1.00 63.30 O ATOM 0 H GLU A 7 -2.535 -11.062 -0.120 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.612 -10.342 1.764 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -2.580 -9.879 3.211 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -2.760 -9.228 1.594 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -3.916 -11.701 1.293 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -4.300 -11.353 2.967 1.00 52.15 H new ATOM 92 N GLU A 8 -2.042 -13.249 2.325 1.00 62.33 N ATOM 93 CA GLU A 8 -1.953 -14.470 3.118 1.00 22.01 C ATOM 94 C GLU A 8 -0.512 -14.968 3.188 1.00 45.53 C ATOM 95 O GLU A 8 0.010 -15.237 4.271 1.00 0.33 O ATOM 96 CB GLU A 8 -2.851 -15.557 2.525 1.00 5.22 C ATOM 97 CG GLU A 8 -3.085 -16.731 3.461 1.00 4.01 C ATOM 98 CD GLU A 8 -4.204 -16.473 4.452 1.00 65.32 C ATOM 99 OE1 GLU A 8 -5.272 -15.984 4.026 1.00 10.50 O ATOM 100 OE2 GLU A 8 -4.012 -16.760 5.651 1.00 20.33 O ATOM 0 H GLU A 8 -2.703 -13.297 1.549 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.291 -14.242 4.129 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.813 -15.117 2.260 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.402 -15.923 1.602 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -3.322 -17.618 2.873 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -2.165 -16.946 4.005 1.00 4.01 H new ATOM 107 N ILE A 9 0.123 -15.090 2.027 1.00 60.43 N ATOM 108 CA ILE A 9 1.503 -15.555 1.958 1.00 52.14 C ATOM 109 C ILE A 9 2.469 -14.488 2.461 1.00 13.42 C ATOM 110 O ILE A 9 3.512 -14.800 3.036 1.00 51.22 O ATOM 111 CB ILE A 9 1.892 -15.947 0.520 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.782 -16.781 -0.123 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.206 -16.714 0.518 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.143 -17.316 -1.491 1.00 72.45 C ATOM 0 H ILE A 9 -0.296 -14.874 1.122 1.00 60.43 H new ATOM 0 HA ILE A 9 1.573 -16.434 2.598 1.00 52.14 H new ATOM 0 HB ILE A 9 2.023 -15.037 -0.066 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.541 -17.617 0.533 1.00 51.12 H new ATOM 0 HG13 ILE A 9 -0.118 -16.171 -0.206 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.468 -16.984 -0.505 1.00 50.42 H new ATOM 0 HG22 ILE A 9 3.993 -16.089 0.941 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.100 -17.619 1.117 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.310 -17.897 -1.886 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.356 -16.484 -2.162 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.024 -17.953 -1.412 1.00 72.45 H new ATOM 126 N LYS A 10 2.115 -13.226 2.242 1.00 24.45 N ATOM 127 CA LYS A 10 2.948 -12.111 2.675 1.00 53.51 C ATOM 128 C LYS A 10 3.315 -12.246 4.149 1.00 24.33 C ATOM 129 O LYS A 10 4.450 -11.977 4.543 1.00 33.51 O ATOM 130 CB LYS A 10 2.223 -10.783 2.439 1.00 74.03 C ATOM 131 CG LYS A 10 3.159 -9.595 2.303 1.00 54.41 C ATOM 132 CD LYS A 10 3.606 -9.079 3.661 1.00 65.13 C ATOM 133 CE LYS A 10 4.159 -7.666 3.566 1.00 45.24 C ATOM 134 NZ LYS A 10 3.080 -6.660 3.367 1.00 3.11 N ATOM 0 H LYS A 10 1.256 -12.950 1.767 1.00 24.45 H new ATOM 0 HA LYS A 10 3.866 -12.127 2.087 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.619 -10.864 1.535 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.537 -10.601 3.266 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.032 -9.883 1.717 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.658 -8.796 1.756 1.00 54.41 H new ATOM 0 HD2 LYS A 10 2.764 -9.095 4.353 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.368 -9.742 4.071 1.00 65.13 H new ATOM 0 HE2 LYS A 10 4.712 -7.431 4.476 1.00 45.24 H new ATOM 0 HE3 LYS A 10 4.867 -7.608 2.739 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 3.457 -5.707 3.543 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 2.727 -6.718 2.390 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 2.301 -6.851 4.029 1.00 3.11 H new ATOM 148 N ALA A 11 2.350 -12.669 4.959 1.00 50.21 N ATOM 149 CA ALA A 11 2.573 -12.843 6.388 1.00 34.33 C ATOM 150 C ALA A 11 3.499 -14.024 6.659 1.00 4.45 C ATOM 151 O ALA A 11 4.253 -14.022 7.631 1.00 53.20 O ATOM 152 CB ALA A 11 1.247 -13.033 7.110 1.00 43.42 C ATOM 0 H ALA A 11 1.406 -12.898 4.649 1.00 50.21 H new ATOM 0 HA ALA A 11 3.055 -11.942 6.768 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.429 -13.162 8.177 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.618 -12.157 6.952 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.743 -13.917 6.719 1.00 43.42 H new ATOM 158 N GLN A 12 3.435 -15.030 5.793 1.00 24.33 N ATOM 159 CA GLN A 12 4.267 -16.219 5.941 1.00 2.14 C ATOM 160 C GLN A 12 5.708 -15.928 5.533 1.00 42.14 C ATOM 161 O GLN A 12 6.649 -16.292 6.238 1.00 75.20 O ATOM 162 CB GLN A 12 3.709 -17.367 5.098 1.00 54.01 C ATOM 163 CG GLN A 12 2.550 -18.098 5.759 1.00 32.44 C ATOM 164 CD GLN A 12 2.987 -19.370 6.459 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.838 -20.469 5.923 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.529 -19.228 7.662 1.00 62.23 N ATOM 0 H GLN A 12 2.816 -15.046 4.982 1.00 24.33 H new ATOM 0 HA GLN A 12 4.256 -16.511 6.991 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.379 -16.974 4.136 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.508 -18.079 4.894 1.00 54.01 H new ATOM 0 HG2 GLN A 12 2.072 -17.436 6.481 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.801 -18.341 5.005 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.633 -18.298 8.068 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.841 -20.049 8.181 1.00 62.23 H new ATOM 175 N VAL A 13 5.874 -15.270 4.390 1.00 55.30 N ATOM 176 CA VAL A 13 7.199 -14.929 3.890 1.00 61.15 C ATOM 177 C VAL A 13 7.908 -13.957 4.826 1.00 35.34 C ATOM 178 O VAL A 13 9.097 -14.107 5.108 1.00 43.12 O ATOM 179 CB VAL A 13 7.125 -14.306 2.482 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.652 -15.335 1.467 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.212 -13.090 2.487 1.00 71.30 C ATOM 0 H VAL A 13 5.106 -14.963 3.793 1.00 55.30 H new ATOM 0 HA VAL A 13 7.766 -15.859 3.840 1.00 61.15 H new ATOM 0 HB VAL A 13 8.124 -13.981 2.193 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.606 -14.877 0.479 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.349 -16.173 1.446 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.662 -15.694 1.747 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.171 -12.662 1.485 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.210 -13.389 2.796 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.600 -12.347 3.184 1.00 71.30 H new ATOM 191 N MET A 14 7.171 -12.962 5.307 1.00 13.51 N ATOM 192 CA MET A 14 7.728 -11.966 6.215 1.00 42.15 C ATOM 193 C MET A 14 8.013 -12.577 7.583 1.00 13.12 C ATOM 194 O MET A 14 9.008 -12.245 8.226 1.00 73.12 O ATOM 195 CB MET A 14 6.769 -10.784 6.361 1.00 42.43 C ATOM 196 CG MET A 14 5.480 -11.134 7.085 1.00 3.14 C ATOM 197 SD MET A 14 5.558 -10.780 8.852 1.00 42.00 S ATOM 198 CE MET A 14 4.017 -11.501 9.410 1.00 52.44 C ATOM 0 H MET A 14 6.186 -12.824 5.083 1.00 13.51 H new ATOM 0 HA MET A 14 8.668 -11.611 5.792 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.273 -9.982 6.901 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.527 -10.399 5.371 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.656 -10.575 6.642 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.262 -12.192 6.940 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.868 -11.270 10.465 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.192 -11.090 8.829 1.00 52.44 H new ATOM 0 HE3 MET A 14 4.052 -12.582 9.276 1.00 52.44 H new ATOM 208 N GLU A 15 7.133 -13.472 8.022 1.00 31.13 N ATOM 209 CA GLU A 15 7.291 -14.127 9.315 1.00 3.51 C ATOM 210 C GLU A 15 8.492 -15.069 9.304 1.00 40.41 C ATOM 211 O GLU A 15 9.185 -15.221 10.310 1.00 50.11 O ATOM 212 CB GLU A 15 6.023 -14.903 9.676 1.00 51.42 C ATOM 213 CG GLU A 15 6.138 -15.687 10.972 1.00 64.33 C ATOM 214 CD GLU A 15 4.789 -16.111 11.521 1.00 14.11 C ATOM 215 OE1 GLU A 15 4.215 -17.088 10.996 1.00 72.54 O ATOM 216 OE2 GLU A 15 4.308 -15.464 12.474 1.00 12.44 O ATOM 0 H GLU A 15 6.304 -13.760 7.502 1.00 31.13 H new ATOM 0 HA GLU A 15 7.463 -13.356 10.066 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.190 -14.204 9.756 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.785 -15.591 8.865 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.752 -16.572 10.803 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.653 -15.079 11.715 1.00 64.33 H new ATOM 223 N SER A 16 8.730 -15.702 8.159 1.00 34.34 N ATOM 224 CA SER A 16 9.843 -16.632 8.018 1.00 4.21 C ATOM 225 C SER A 16 11.168 -15.884 7.914 1.00 25.30 C ATOM 226 O SER A 16 12.164 -16.274 8.522 1.00 71.45 O ATOM 227 CB SER A 16 9.645 -17.514 6.783 1.00 21.44 C ATOM 228 OG SER A 16 8.928 -18.692 7.107 1.00 73.30 O ATOM 0 H SER A 16 8.167 -15.587 7.316 1.00 34.34 H new ATOM 0 HA SER A 16 9.871 -17.263 8.907 1.00 4.21 H new ATOM 0 HB2 SER A 16 9.107 -16.956 6.017 1.00 21.44 H new ATOM 0 HB3 SER A 16 10.615 -17.779 6.362 1.00 21.44 H new ATOM 0 HG SER A 16 8.813 -19.237 6.301 1.00 73.30 H new ATOM 234 N VAL A 17 11.172 -14.804 7.139 1.00 40.23 N ATOM 235 CA VAL A 17 12.373 -13.998 6.956 1.00 71.33 C ATOM 236 C VAL A 17 12.824 -13.376 8.273 1.00 73.43 C ATOM 237 O VAL A 17 13.987 -13.494 8.660 1.00 75.50 O ATOM 238 CB VAL A 17 12.145 -12.878 5.924 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.354 -11.956 5.861 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.844 -13.470 4.555 1.00 64.43 C ATOM 0 H VAL A 17 10.356 -14.467 6.628 1.00 40.23 H new ATOM 0 HA VAL A 17 13.151 -14.668 6.589 1.00 71.33 H new ATOM 0 HB VAL A 17 11.284 -12.288 6.237 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.175 -11.171 5.127 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.520 -11.506 6.840 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.234 -12.530 5.571 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.685 -12.665 3.837 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.684 -14.084 4.231 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.946 -14.085 4.614 1.00 64.43 H new ATOM 250 N ILE A 18 11.896 -12.716 8.957 1.00 20.20 N ATOM 251 CA ILE A 18 12.198 -12.076 10.232 1.00 4.21 C ATOM 252 C ILE A 18 12.923 -13.035 11.169 1.00 21.34 C ATOM 253 O ILE A 18 13.993 -12.721 11.689 1.00 62.42 O ATOM 254 CB ILE A 18 10.918 -11.569 10.924 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.281 -10.445 10.105 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.234 -11.091 12.334 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.795 -10.290 10.346 1.00 14.31 C ATOM 0 H ILE A 18 10.929 -12.610 8.650 1.00 20.20 H new ATOM 0 HA ILE A 18 12.845 -11.226 10.014 1.00 4.21 H new ATOM 0 HB ILE A 18 10.207 -12.392 10.990 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.780 -9.505 10.343 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.451 -10.637 9.046 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.321 -10.736 12.811 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.649 -11.916 12.913 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.959 -10.279 12.289 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.410 -9.475 9.733 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.285 -11.216 10.081 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.618 -10.067 11.398 1.00 14.31 H new ATOM 269 N GLY A 19 12.334 -14.209 11.379 1.00 20.44 N ATOM 270 CA GLY A 19 12.940 -15.197 12.252 1.00 33.42 C ATOM 271 C GLY A 19 14.141 -15.872 11.620 1.00 43.03 C ATOM 272 O GLY A 19 15.008 -16.396 12.321 1.00 24.14 O ATOM 0 H GLY A 19 11.448 -14.493 10.960 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.245 -14.717 13.182 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.198 -15.952 12.511 1.00 33.42 H new ATOM 276 N CYS A 20 14.192 -15.860 10.293 1.00 11.52 N ATOM 277 CA CYS A 20 15.296 -16.479 9.565 1.00 1.22 C ATOM 278 C CYS A 20 16.615 -15.781 9.882 1.00 65.11 C ATOM 279 O CYS A 20 17.606 -16.429 10.219 1.00 25.20 O ATOM 280 CB CYS A 20 15.030 -16.432 8.060 1.00 12.21 C ATOM 281 SG CYS A 20 14.457 -17.999 7.363 1.00 23.42 S ATOM 0 H CYS A 20 13.483 -15.429 9.699 1.00 11.52 H new ATOM 0 HA CYS A 20 15.371 -17.519 9.882 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.285 -15.662 7.857 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.945 -16.132 7.549 1.00 12.21 H new ATOM 0 HG CYS A 20 13.169 -18.096 7.514 1.00 23.42 H new ATOM 287 N LEU A 21 16.619 -14.458 9.772 1.00 53.41 N ATOM 288 CA LEU A 21 17.817 -13.671 10.047 1.00 51.22 C ATOM 289 C LEU A 21 17.699 -12.947 11.384 1.00 15.30 C ATOM 290 O LEU A 21 18.565 -12.152 11.750 1.00 53.22 O ATOM 291 CB LEU A 21 18.055 -12.660 8.924 1.00 25.12 C ATOM 292 CG LEU A 21 16.823 -12.255 8.114 1.00 53.32 C ATOM 293 CD1 LEU A 21 17.001 -10.862 7.532 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.557 -13.267 7.008 1.00 52.43 C ATOM 0 H LEU A 21 15.807 -13.907 9.494 1.00 53.41 H new ATOM 0 HA LEU A 21 18.666 -14.353 10.099 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.491 -11.761 9.358 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.795 -13.075 8.240 1.00 25.12 H new ATOM 0 HG LEU A 21 15.961 -12.240 8.781 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.114 -10.591 6.959 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.143 -10.145 8.341 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.873 -10.849 6.878 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.677 -12.964 6.441 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.419 -13.314 6.342 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.385 -14.249 7.448 1.00 52.43 H new ATOM 306 N LYS A 22 16.623 -13.228 12.110 1.00 1.40 N ATOM 307 CA LYS A 22 16.392 -12.607 13.409 1.00 75.54 C ATOM 308 C LYS A 22 16.526 -11.091 13.318 1.00 52.33 C ATOM 309 O LYS A 22 17.612 -10.540 13.503 1.00 32.45 O ATOM 310 CB LYS A 22 17.379 -13.156 14.442 1.00 53.14 C ATOM 311 CG LYS A 22 17.403 -14.672 14.515 1.00 11.31 C ATOM 312 CD LYS A 22 16.098 -15.224 15.065 1.00 24.50 C ATOM 313 CE LYS A 22 16.112 -16.744 15.111 1.00 14.00 C ATOM 314 NZ LYS A 22 17.092 -17.261 16.107 1.00 54.14 N ATOM 0 H LYS A 22 15.896 -13.883 11.821 1.00 1.40 H new ATOM 0 HA LYS A 22 15.376 -12.846 13.723 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.380 -12.796 14.203 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.123 -12.757 15.424 1.00 53.14 H new ATOM 0 HG2 LYS A 22 17.583 -15.082 13.521 1.00 11.31 H new ATOM 0 HG3 LYS A 22 18.231 -14.994 15.147 1.00 11.31 H new ATOM 0 HD2 LYS A 22 15.929 -14.830 16.067 1.00 24.50 H new ATOM 0 HD3 LYS A 22 15.268 -14.885 14.445 1.00 24.50 H new ATOM 0 HE2 LYS A 22 15.115 -17.109 15.359 1.00 14.00 H new ATOM 0 HE3 LYS A 22 16.358 -17.135 14.124 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 16.976 -18.290 16.206 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 18.058 -17.050 15.785 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 16.926 -16.804 17.026 1.00 54.14 H new ATOM 328 N LEU A 23 15.415 -10.420 13.032 1.00 63.12 N ATOM 329 CA LEU A 23 15.407 -8.966 12.918 1.00 10.22 C ATOM 330 C LEU A 23 15.013 -8.318 14.242 1.00 71.20 C ATOM 331 O LEU A 23 14.487 -8.979 15.135 1.00 42.11 O ATOM 332 CB LEU A 23 14.443 -8.525 11.815 1.00 24.31 C ATOM 333 CG LEU A 23 14.960 -8.654 10.382 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.246 -7.863 10.205 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.177 -10.117 10.022 1.00 71.34 C ATOM 0 H LEU A 23 14.508 -10.860 12.875 1.00 63.12 H new ATOM 0 HA LEU A 23 16.415 -8.642 12.661 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.528 -9.111 11.904 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.173 -7.484 11.991 1.00 24.31 H new ATOM 0 HG LEU A 23 14.209 -8.243 9.707 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.599 -7.967 9.179 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.058 -6.811 10.419 1.00 62.24 H new ATOM 0 HD13 LEU A 23 17.004 -8.243 10.890 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.545 -10.189 8.999 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.908 -10.555 10.702 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.234 -10.656 10.107 1.00 71.34 H new ATOM 347 N ASN A 24 15.269 -7.019 14.359 1.00 45.20 N ATOM 348 CA ASN A 24 14.939 -6.280 15.572 1.00 65.04 C ATOM 349 C ASN A 24 13.804 -5.293 15.317 1.00 22.23 C ATOM 350 O ASN A 24 13.249 -5.240 14.219 1.00 61.52 O ATOM 351 CB ASN A 24 16.171 -5.536 16.092 1.00 25.14 C ATOM 352 CG ASN A 24 17.410 -6.410 16.110 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.583 -7.242 17.001 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.280 -6.224 15.124 1.00 12.31 N ATOM 0 H ASN A 24 15.704 -6.456 13.628 1.00 45.20 H new ATOM 0 HA ASN A 24 14.610 -6.996 16.325 1.00 65.04 H new ATOM 0 HB2 ASN A 24 16.355 -4.662 15.467 1.00 25.14 H new ATOM 0 HB3 ASN A 24 15.973 -5.171 17.100 1.00 25.14 H new ATOM 0 HD21 ASN A 24 19.133 -6.782 15.084 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.095 -5.523 14.407 1.00 12.31 H new ATOM 361 N ASP A 25 13.465 -4.513 16.338 1.00 44.23 N ATOM 362 CA ASP A 25 12.398 -3.526 16.224 1.00 34.40 C ATOM 363 C ASP A 25 12.717 -2.503 15.140 1.00 23.34 C ATOM 364 O ASP A 25 11.839 -2.095 14.380 1.00 45.40 O ATOM 365 CB ASP A 25 12.184 -2.820 17.563 1.00 1.51 C ATOM 366 CG ASP A 25 12.207 -3.780 18.735 1.00 64.32 C ATOM 367 OD1 ASP A 25 11.574 -4.851 18.637 1.00 20.14 O ATOM 368 OD2 ASP A 25 12.857 -3.461 19.753 1.00 24.33 O ATOM 0 H ASP A 25 13.914 -4.545 17.253 1.00 44.23 H new ATOM 0 HA ASP A 25 11.482 -4.047 15.946 1.00 34.40 H new ATOM 0 HB2 ASP A 25 12.959 -2.066 17.700 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.228 -2.296 17.545 1.00 1.51 H new ATOM 373 N GLU A 26 13.979 -2.091 15.074 1.00 23.44 N ATOM 374 CA GLU A 26 14.414 -1.113 14.083 1.00 51.55 C ATOM 375 C GLU A 26 14.345 -1.698 12.676 1.00 41.22 C ATOM 376 O GLU A 26 13.808 -1.076 11.761 1.00 64.53 O ATOM 377 CB GLU A 26 15.839 -0.647 14.385 1.00 23.33 C ATOM 378 CG GLU A 26 15.960 0.145 15.677 1.00 11.13 C ATOM 379 CD GLU A 26 15.259 1.489 15.605 1.00 33.12 C ATOM 380 OE1 GLU A 26 15.305 2.124 14.530 1.00 10.11 O ATOM 381 OE2 GLU A 26 14.667 1.904 16.622 1.00 53.41 O ATOM 0 H GLU A 26 14.719 -2.419 15.695 1.00 23.44 H new ATOM 0 HA GLU A 26 13.742 -0.257 14.135 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.493 -1.517 14.440 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.194 -0.033 13.558 1.00 23.33 H new ATOM 0 HG2 GLU A 26 15.539 -0.437 16.497 1.00 11.13 H new ATOM 0 HG3 GLU A 26 17.014 0.301 15.906 1.00 11.13 H new ATOM 388 N GLN A 27 14.894 -2.897 12.513 1.00 43.14 N ATOM 389 CA GLN A 27 14.897 -3.565 11.217 1.00 70.43 C ATOM 390 C GLN A 27 13.475 -3.762 10.703 1.00 74.33 C ATOM 391 O GLN A 27 13.224 -3.706 9.499 1.00 70.11 O ATOM 392 CB GLN A 27 15.607 -4.917 11.317 1.00 60.33 C ATOM 393 CG GLN A 27 16.984 -4.833 11.957 1.00 35.01 C ATOM 394 CD GLN A 27 17.783 -3.641 11.470 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.676 -2.543 12.016 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.591 -3.852 10.437 1.00 31.11 N ATOM 0 H GLN A 27 15.342 -3.426 13.261 1.00 43.14 H new ATOM 0 HA GLN A 27 15.435 -2.931 10.512 1.00 70.43 H new ATOM 0 HB2 GLN A 27 14.987 -5.602 11.896 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.705 -5.342 10.318 1.00 60.33 H new ATOM 0 HG2 GLN A 27 16.874 -4.774 13.040 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.536 -5.748 11.742 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.648 -4.779 10.015 1.00 31.11 H new ATOM 0 HE22 GLN A 27 19.154 -3.087 10.066 1.00 31.11 H new ATOM 405 N LYS A 28 12.545 -3.995 11.623 1.00 33.40 N ATOM 406 CA LYS A 28 11.147 -4.199 11.265 1.00 0.31 C ATOM 407 C LYS A 28 10.485 -2.880 10.878 1.00 73.13 C ATOM 408 O LYS A 28 9.483 -2.865 10.163 1.00 33.23 O ATOM 409 CB LYS A 28 10.388 -4.840 12.430 1.00 10.45 C ATOM 410 CG LYS A 28 10.867 -6.240 12.771 1.00 2.22 C ATOM 411 CD LYS A 28 10.534 -6.609 14.207 1.00 53.25 C ATOM 412 CE LYS A 28 10.651 -8.108 14.439 1.00 14.30 C ATOM 413 NZ LYS A 28 9.334 -8.793 14.313 1.00 1.02 N ATOM 0 H LYS A 28 12.735 -4.047 12.624 1.00 33.40 H new ATOM 0 HA LYS A 28 11.113 -4.868 10.405 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.489 -4.206 13.311 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.327 -4.878 12.184 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.406 -6.958 12.093 1.00 2.22 H new ATOM 0 HG3 LYS A 28 11.944 -6.304 12.618 1.00 2.22 H new ATOM 0 HD2 LYS A 28 11.206 -6.081 14.884 1.00 53.25 H new ATOM 0 HD3 LYS A 28 9.521 -6.281 14.443 1.00 53.25 H new ATOM 0 HE2 LYS A 28 11.352 -8.533 13.720 1.00 14.30 H new ATOM 0 HE3 LYS A 28 11.062 -8.291 15.432 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 9.443 -9.801 14.544 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 8.653 -8.359 14.969 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 8.985 -8.698 13.338 1.00 1.02 H new ATOM 427 N GLN A 29 11.053 -1.777 11.353 1.00 54.00 N ATOM 428 CA GLN A 29 10.518 -0.454 11.055 1.00 31.22 C ATOM 429 C GLN A 29 11.127 0.103 9.771 1.00 50.15 C ATOM 430 O GLN A 29 10.486 0.871 9.053 1.00 72.44 O ATOM 431 CB GLN A 29 10.789 0.503 12.218 1.00 30.00 C ATOM 432 CG GLN A 29 10.083 0.109 13.505 1.00 61.43 C ATOM 433 CD GLN A 29 8.687 0.689 13.607 1.00 52.42 C ATOM 434 OE1 GLN A 29 8.498 1.903 13.517 1.00 3.31 O ATOM 435 NE2 GLN A 29 7.698 -0.177 13.797 1.00 52.22 N ATOM 0 H GLN A 29 11.883 -1.773 11.946 1.00 54.00 H new ATOM 0 HA GLN A 29 9.441 -0.549 10.914 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.863 0.545 12.400 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.474 1.507 11.933 1.00 30.00 H new ATOM 0 HG2 GLN A 29 10.026 -0.978 13.565 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.675 0.445 14.357 1.00 61.43 H new ATOM 0 HE21 GLN A 29 7.900 -1.174 13.866 1.00 52.22 H new ATOM 0 HE22 GLN A 29 6.737 0.155 13.874 1.00 52.22 H new ATOM 444 N ILE A 30 12.365 -0.288 9.491 1.00 2.02 N ATOM 445 CA ILE A 30 13.058 0.172 8.294 1.00 13.22 C ATOM 446 C ILE A 30 12.938 -0.846 7.164 1.00 11.13 C ATOM 447 O ILE A 30 13.772 -0.885 6.258 1.00 22.43 O ATOM 448 CB ILE A 30 14.550 0.437 8.575 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.256 -0.861 8.971 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.705 1.485 9.667 1.00 14.42 C ATOM 451 CD1 ILE A 30 16.116 -1.441 7.871 1.00 63.02 C ATOM 0 H ILE A 30 12.909 -0.922 10.076 1.00 2.02 H new ATOM 0 HA ILE A 30 12.582 1.105 7.992 1.00 13.22 H new ATOM 0 HB ILE A 30 15.014 0.817 7.665 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.878 -0.674 9.847 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.508 -1.598 9.263 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.764 1.661 9.854 1.00 14.42 H new ATOM 0 HG22 ILE A 30 14.233 2.415 9.349 1.00 14.42 H new ATOM 0 HG23 ILE A 30 14.229 1.131 10.581 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.585 -2.360 8.222 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.496 -1.660 7.002 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.887 -0.722 7.595 1.00 63.02 H new ATOM 463 N LEU A 31 11.896 -1.667 7.224 1.00 64.14 N ATOM 464 CA LEU A 31 11.665 -2.684 6.205 1.00 21.12 C ATOM 465 C LEU A 31 10.586 -2.237 5.224 1.00 14.43 C ATOM 466 O LEU A 31 9.730 -1.417 5.558 1.00 1.54 O ATOM 467 CB LEU A 31 11.260 -4.006 6.858 1.00 41.11 C ATOM 468 CG LEU A 31 11.815 -5.274 6.208 1.00 20.21 C ATOM 469 CD1 LEU A 31 12.100 -6.334 7.261 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.846 -5.805 5.162 1.00 12.21 C ATOM 0 H LEU A 31 11.198 -1.648 7.967 1.00 64.14 H new ATOM 0 HA LEU A 31 12.594 -2.828 5.654 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.580 -3.986 7.900 1.00 41.11 H new ATOM 0 HB3 LEU A 31 10.172 -4.069 6.859 1.00 41.11 H new ATOM 0 HG LEU A 31 12.753 -5.024 5.712 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.494 -7.229 6.779 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.832 -5.952 7.972 1.00 40.33 H new ATOM 0 HD13 LEU A 31 11.178 -6.581 7.787 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.257 -6.707 4.710 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.892 -6.038 5.635 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.693 -5.050 4.391 1.00 12.21 H new ATOM 482 N SER A 32 10.630 -2.782 4.012 1.00 11.55 N ATOM 483 CA SER A 32 9.657 -2.438 2.982 1.00 52.24 C ATOM 484 C SER A 32 9.617 -3.507 1.895 1.00 35.45 C ATOM 485 O SER A 32 10.558 -4.283 1.735 1.00 30.51 O ATOM 486 CB SER A 32 9.995 -1.079 2.367 1.00 52.12 C ATOM 487 OG SER A 32 9.642 -1.041 0.994 1.00 54.11 O ATOM 0 H SER A 32 11.330 -3.464 3.720 1.00 11.55 H new ATOM 0 HA SER A 32 8.673 -2.383 3.448 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.467 -0.291 2.904 1.00 52.12 H new ATOM 0 HB3 SER A 32 11.061 -0.881 2.478 1.00 52.12 H new ATOM 0 HG SER A 32 9.866 -0.162 0.623 1.00 54.11 H new ATOM 493 N GLY A 33 8.517 -3.541 1.148 1.00 1.31 N ATOM 494 CA GLY A 33 8.373 -4.518 0.084 1.00 55.30 C ATOM 495 C GLY A 33 9.398 -4.333 -1.016 1.00 2.44 C ATOM 496 O GLY A 33 9.891 -5.306 -1.588 1.00 22.34 O ATOM 0 H GLY A 33 7.724 -2.910 1.261 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.469 -5.521 0.500 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.372 -4.443 -0.340 1.00 55.30 H new ATOM 500 N THR A 34 9.721 -3.078 -1.316 1.00 51.35 N ATOM 501 CA THR A 34 10.692 -2.767 -2.358 1.00 3.10 C ATOM 502 C THR A 34 12.086 -2.576 -1.771 1.00 64.01 C ATOM 503 O THR A 34 12.838 -1.700 -2.201 1.00 73.14 O ATOM 504 CB THR A 34 10.296 -1.498 -3.135 1.00 42.35 C ATOM 505 OG1 THR A 34 10.519 -0.338 -2.327 1.00 2.24 O ATOM 506 CG2 THR A 34 8.835 -1.556 -3.555 1.00 32.33 C ATOM 0 H THR A 34 9.324 -2.261 -0.852 1.00 51.35 H new ATOM 0 HA THR A 34 10.702 -3.615 -3.043 1.00 3.10 H new ATOM 0 HB THR A 34 10.914 -1.440 -4.031 1.00 42.35 H new ATOM 0 HG1 THR A 34 11.476 -0.253 -2.133 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.577 -0.649 -4.102 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.674 -2.424 -4.195 1.00 32.33 H new ATOM 0 HG23 THR A 34 8.205 -1.636 -2.669 1.00 32.33 H new ATOM 514 N THR A 35 12.427 -3.400 -0.785 1.00 44.01 N ATOM 515 CA THR A 35 13.730 -3.321 -0.139 1.00 42.43 C ATOM 516 C THR A 35 14.465 -4.655 -0.216 1.00 0.31 C ATOM 517 O THR A 35 13.912 -5.699 0.129 1.00 42.14 O ATOM 518 CB THR A 35 13.601 -2.905 1.338 1.00 23.32 C ATOM 519 OG1 THR A 35 12.984 -1.615 1.431 1.00 14.23 O ATOM 520 CG2 THR A 35 14.964 -2.869 2.012 1.00 52.31 C ATOM 0 H THR A 35 11.818 -4.130 -0.417 1.00 44.01 H new ATOM 0 HA THR A 35 14.301 -2.563 -0.674 1.00 42.43 H new ATOM 0 HB THR A 35 12.981 -3.643 1.847 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.185 -1.219 2.305 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.847 -2.573 3.054 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.419 -3.858 1.965 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.604 -2.150 1.500 1.00 52.31 H new ATOM 528 N ASN A 36 15.713 -4.612 -0.671 1.00 22.34 N ATOM 529 CA ASN A 36 16.523 -5.818 -0.793 1.00 3.42 C ATOM 530 C ASN A 36 16.971 -6.315 0.578 1.00 24.22 C ATOM 531 O ASN A 36 17.871 -5.742 1.195 1.00 54.35 O ATOM 532 CB ASN A 36 17.744 -5.551 -1.674 1.00 23.01 C ATOM 533 CG ASN A 36 18.344 -6.826 -2.236 1.00 71.14 C ATOM 534 OD1 ASN A 36 18.075 -7.921 -1.742 1.00 42.21 O ATOM 535 ND2 ASN A 36 19.161 -6.689 -3.273 1.00 21.54 N ATOM 0 H ASN A 36 16.185 -3.756 -0.961 1.00 22.34 H new ATOM 0 HA ASN A 36 15.910 -6.591 -1.257 1.00 3.42 H new ATOM 0 HB2 ASN A 36 17.459 -4.894 -2.496 1.00 23.01 H new ATOM 0 HB3 ASN A 36 18.500 -5.023 -1.092 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.594 -7.511 -3.693 1.00 21.54 H new ATOM 0 HD22 ASN A 36 19.355 -5.761 -3.650 1.00 21.54 H new ATOM 542 N LEU A 37 16.338 -7.383 1.051 1.00 42.04 N ATOM 543 CA LEU A 37 16.670 -7.957 2.350 1.00 41.12 C ATOM 544 C LEU A 37 18.042 -8.622 2.316 1.00 34.43 C ATOM 545 O LEU A 37 18.628 -8.914 3.359 1.00 41.43 O ATOM 546 CB LEU A 37 15.608 -8.976 2.766 1.00 32.32 C ATOM 547 CG LEU A 37 14.166 -8.468 2.796 1.00 23.33 C ATOM 548 CD1 LEU A 37 14.127 -6.995 3.171 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.492 -8.696 1.452 1.00 73.30 C ATOM 0 H LEU A 37 15.592 -7.869 0.554 1.00 42.04 H new ATOM 0 HA LEU A 37 16.695 -7.149 3.081 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.659 -9.824 2.083 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.861 -9.350 3.758 1.00 32.32 H new ATOM 0 HG LEU A 37 13.619 -9.029 3.554 1.00 23.33 H new ATOM 0 HD11 LEU A 37 13.093 -6.651 3.187 1.00 44.55 H new ATOM 0 HD12 LEU A 37 14.570 -6.859 4.157 1.00 44.55 H new ATOM 0 HD13 LEU A 37 14.690 -6.418 2.437 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.467 -8.328 1.492 1.00 73.30 H new ATOM 0 HD22 LEU A 37 14.039 -8.162 0.675 1.00 73.30 H new ATOM 0 HD23 LEU A 37 13.487 -9.762 1.224 1.00 73.30 H new ATOM 561 N ALA A 38 18.551 -8.856 1.111 1.00 11.43 N ATOM 562 CA ALA A 38 19.857 -9.482 0.941 1.00 64.01 C ATOM 563 C ALA A 38 20.975 -8.447 1.010 1.00 74.52 C ATOM 564 O ALA A 38 22.013 -8.680 1.630 1.00 11.43 O ATOM 565 CB ALA A 38 19.913 -10.236 -0.379 1.00 72.25 C ATOM 0 H ALA A 38 18.079 -8.622 0.238 1.00 11.43 H new ATOM 0 HA ALA A 38 20.002 -10.190 1.757 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.894 -10.698 -0.493 1.00 72.25 H new ATOM 0 HB2 ALA A 38 19.144 -11.009 -0.390 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.741 -9.542 -1.202 1.00 72.25 H new ATOM 571 N LYS A 39 20.757 -7.304 0.369 1.00 24.43 N ATOM 572 CA LYS A 39 21.745 -6.233 0.357 1.00 74.40 C ATOM 573 C LYS A 39 21.614 -5.358 1.599 1.00 20.11 C ATOM 574 O LYS A 39 22.591 -5.124 2.311 1.00 33.41 O ATOM 575 CB LYS A 39 21.586 -5.377 -0.902 1.00 32.01 C ATOM 576 CG LYS A 39 22.858 -5.259 -1.722 1.00 13.31 C ATOM 577 CD LYS A 39 23.006 -6.418 -2.693 1.00 0.14 C ATOM 578 CE LYS A 39 23.522 -5.951 -4.045 1.00 0.24 C ATOM 579 NZ LYS A 39 23.993 -7.088 -4.883 1.00 32.20 N ATOM 0 H LYS A 39 19.904 -7.096 -0.149 1.00 24.43 H new ATOM 0 HA LYS A 39 22.736 -6.687 0.357 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.801 -5.805 -1.525 1.00 32.01 H new ATOM 0 HB3 LYS A 39 21.256 -4.379 -0.613 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.850 -4.319 -2.274 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.720 -5.229 -1.056 1.00 13.31 H new ATOM 0 HD2 LYS A 39 23.690 -7.157 -2.277 1.00 0.14 H new ATOM 0 HD3 LYS A 39 22.043 -6.912 -2.821 1.00 0.14 H new ATOM 0 HE2 LYS A 39 22.731 -5.416 -4.570 1.00 0.24 H new ATOM 0 HE3 LYS A 39 24.340 -5.246 -3.897 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 24.337 -6.727 -5.796 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 24.765 -7.583 -4.394 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 23.206 -7.749 -5.046 1.00 32.20 H new ATOM 593 N ASP A 40 20.402 -4.879 1.853 1.00 63.34 N ATOM 594 CA ASP A 40 20.142 -4.031 3.012 1.00 12.34 C ATOM 595 C ASP A 40 20.670 -4.678 4.288 1.00 41.35 C ATOM 596 O ASP A 40 21.555 -4.137 4.952 1.00 11.14 O ATOM 597 CB ASP A 40 18.642 -3.759 3.146 1.00 60.32 C ATOM 598 CG ASP A 40 18.346 -2.589 4.063 1.00 10.42 C ATOM 599 OD1 ASP A 40 18.281 -1.446 3.565 1.00 22.23 O ATOM 600 OD2 ASP A 40 18.178 -2.818 5.280 1.00 43.03 O ATOM 0 H ASP A 40 19.584 -5.063 1.273 1.00 63.34 H new ATOM 0 HA ASP A 40 20.663 -3.085 2.863 1.00 12.34 H new ATOM 0 HB2 ASP A 40 18.222 -3.559 2.160 1.00 60.32 H new ATOM 0 HB3 ASP A 40 18.147 -4.651 3.529 1.00 60.32 H new ATOM 605 N PHE A 41 20.122 -5.841 4.627 1.00 51.23 N ATOM 606 CA PHE A 41 20.536 -6.562 5.826 1.00 55.34 C ATOM 607 C PHE A 41 21.846 -7.307 5.586 1.00 13.42 C ATOM 608 O PHE A 41 22.392 -7.932 6.494 1.00 4.32 O ATOM 609 CB PHE A 41 19.447 -7.546 6.257 1.00 32.53 C ATOM 610 CG PHE A 41 18.133 -6.888 6.567 1.00 72.32 C ATOM 611 CD1 PHE A 41 18.083 -5.747 7.350 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.949 -7.411 6.074 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.875 -5.139 7.639 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.737 -6.808 6.359 1.00 63.51 C ATOM 615 CZ PHE A 41 15.700 -5.671 7.141 1.00 32.44 C ATOM 0 H PHE A 41 19.390 -6.304 4.088 1.00 51.23 H new ATOM 0 HA PHE A 41 20.693 -5.834 6.622 1.00 55.34 H new ATOM 0 HB2 PHE A 41 19.299 -8.281 5.466 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.788 -8.090 7.137 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.998 -5.327 7.740 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.972 -8.299 5.460 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.849 -4.250 8.252 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.820 -7.226 5.970 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.755 -5.198 7.363 1.00 32.44 H new ATOM 625 N ASN A 42 22.344 -7.235 4.356 1.00 62.01 N ATOM 626 CA ASN A 42 23.589 -7.904 3.995 1.00 43.41 C ATOM 627 C ASN A 42 23.551 -9.377 4.393 1.00 32.20 C ATOM 628 O ASN A 42 24.498 -9.896 4.985 1.00 14.03 O ATOM 629 CB ASN A 42 24.777 -7.214 4.668 1.00 74.50 C ATOM 630 CG ASN A 42 25.326 -6.068 3.838 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.124 -4.899 4.164 1.00 64.32 O ATOM 632 ND2 ASN A 42 26.024 -6.402 2.760 1.00 71.31 N ATOM 0 H ASN A 42 21.905 -6.720 3.593 1.00 62.01 H new ATOM 0 HA ASN A 42 23.705 -7.841 2.913 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.470 -6.838 5.644 1.00 74.50 H new ATOM 0 HB3 ASN A 42 25.567 -7.944 4.842 1.00 74.50 H new ATOM 0 HD21 ASN A 42 26.419 -5.675 2.163 1.00 71.31 H new ATOM 0 HD22 ASN A 42 26.166 -7.385 2.529 1.00 71.31 H new ATOM 639 N LEU A 43 22.450 -10.044 4.064 1.00 0.14 N ATOM 640 CA LEU A 43 22.288 -11.457 4.386 1.00 4.12 C ATOM 641 C LEU A 43 23.412 -12.288 3.775 1.00 55.50 C ATOM 642 O LEU A 43 23.962 -11.934 2.732 1.00 12.51 O ATOM 643 CB LEU A 43 20.934 -11.963 3.883 1.00 2.23 C ATOM 644 CG LEU A 43 19.710 -11.503 4.675 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.430 -11.960 3.991 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.771 -12.026 6.102 1.00 61.35 C ATOM 0 H LEU A 43 21.657 -9.629 3.575 1.00 0.14 H new ATOM 0 HA LEU A 43 22.330 -11.564 5.470 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.812 -11.646 2.847 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.953 -13.053 3.883 1.00 2.23 H new ATOM 0 HG LEU A 43 19.711 -10.414 4.709 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.569 -11.624 4.569 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.382 -11.536 2.988 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.421 -13.048 3.926 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.892 -11.689 6.651 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.795 -13.116 6.089 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.670 -11.649 6.590 1.00 61.35 H new ATOM 658 N ASP A 44 23.746 -13.394 4.430 1.00 13.11 N ATOM 659 CA ASP A 44 24.802 -14.277 3.951 1.00 72.53 C ATOM 660 C ASP A 44 24.241 -15.329 2.999 1.00 75.24 C ATOM 661 O ASP A 44 23.057 -15.661 3.054 1.00 40.44 O ATOM 662 CB ASP A 44 25.501 -14.958 5.127 1.00 51.15 C ATOM 663 CG ASP A 44 26.963 -14.569 5.236 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.257 -13.531 5.863 1.00 30.42 O ATOM 665 OD2 ASP A 44 27.814 -15.306 4.694 1.00 63.34 O ATOM 0 H ASP A 44 23.300 -13.700 5.295 1.00 13.11 H new ATOM 0 HA ASP A 44 25.528 -13.672 3.409 1.00 72.53 H new ATOM 0 HB2 ASP A 44 24.988 -14.695 6.052 1.00 51.15 H new ATOM 0 HB3 ASP A 44 25.423 -16.039 5.015 1.00 51.15 H new ATOM 670 N SER A 45 25.099 -15.850 2.127 1.00 65.32 N ATOM 671 CA SER A 45 24.688 -16.861 1.160 1.00 60.12 C ATOM 672 C SER A 45 24.014 -18.039 1.859 1.00 31.24 C ATOM 673 O SER A 45 23.176 -18.726 1.274 1.00 40.22 O ATOM 674 CB SER A 45 25.895 -17.352 0.359 1.00 63.42 C ATOM 675 OG SER A 45 27.027 -17.520 1.194 1.00 12.42 O ATOM 0 H SER A 45 26.083 -15.588 2.071 1.00 65.32 H new ATOM 0 HA SER A 45 23.970 -16.405 0.478 1.00 60.12 H new ATOM 0 HB2 SER A 45 25.653 -18.298 -0.126 1.00 63.42 H new ATOM 0 HB3 SER A 45 26.125 -16.638 -0.432 1.00 63.42 H new ATOM 0 HG SER A 45 27.784 -17.836 0.659 1.00 12.42 H new ATOM 681 N LEU A 46 24.386 -18.265 3.114 1.00 71.33 N ATOM 682 CA LEU A 46 23.819 -19.359 3.894 1.00 25.25 C ATOM 683 C LEU A 46 22.383 -19.050 4.302 1.00 62.14 C ATOM 684 O LEU A 46 21.486 -19.875 4.128 1.00 62.33 O ATOM 685 CB LEU A 46 24.671 -19.619 5.138 1.00 13.24 C ATOM 686 CG LEU A 46 26.148 -19.922 4.890 1.00 31.11 C ATOM 687 CD1 LEU A 46 26.945 -19.789 6.178 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.314 -21.315 4.299 1.00 75.23 C ATOM 0 H LEU A 46 25.078 -17.705 3.613 1.00 71.33 H new ATOM 0 HA LEU A 46 23.815 -20.253 3.271 1.00 25.25 H new ATOM 0 HB2 LEU A 46 24.604 -18.747 5.788 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.236 -20.457 5.683 1.00 13.24 H new ATOM 0 HG LEU A 46 26.533 -19.196 4.174 1.00 31.11 H new ATOM 0 HD11 LEU A 46 27.994 -20.009 5.981 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.853 -18.772 6.560 1.00 42.14 H new ATOM 0 HD13 LEU A 46 26.560 -20.491 6.918 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.372 -21.514 4.129 1.00 75.23 H new ATOM 0 HD22 LEU A 46 25.912 -22.054 4.992 1.00 75.23 H new ATOM 0 HD23 LEU A 46 25.777 -21.375 3.353 1.00 75.23 H new ATOM 700 N ASP A 47 22.171 -17.855 4.845 1.00 2.12 N ATOM 701 CA ASP A 47 20.843 -17.434 5.274 1.00 55.22 C ATOM 702 C ASP A 47 19.847 -17.514 4.121 1.00 62.23 C ATOM 703 O ASP A 47 18.766 -18.086 4.259 1.00 64.30 O ATOM 704 CB ASP A 47 20.890 -16.009 5.825 1.00 35.55 C ATOM 705 CG ASP A 47 20.334 -15.913 7.233 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.113 -16.112 7.402 1.00 73.34 O ATOM 707 OD2 ASP A 47 21.120 -15.639 8.165 1.00 22.24 O ATOM 0 H ASP A 47 22.903 -17.161 4.998 1.00 2.12 H new ATOM 0 HA ASP A 47 20.512 -18.110 6.063 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.921 -15.655 5.820 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.323 -15.350 5.168 1.00 35.55 H new ATOM 712 N PHE A 48 20.220 -16.937 2.983 1.00 64.30 N ATOM 713 CA PHE A 48 19.360 -16.942 1.806 1.00 64.44 C ATOM 714 C PHE A 48 18.900 -18.358 1.474 1.00 11.41 C ATOM 715 O PHE A 48 17.716 -18.599 1.239 1.00 74.22 O ATOM 716 CB PHE A 48 20.095 -16.338 0.608 1.00 22.22 C ATOM 717 CG PHE A 48 19.177 -15.821 -0.461 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.540 -14.599 -0.315 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.948 -16.557 -1.613 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.693 -14.120 -1.297 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.104 -16.083 -2.599 1.00 10.41 C ATOM 722 CZ PHE A 48 17.474 -14.864 -2.440 1.00 43.02 C ATOM 0 H PHE A 48 21.112 -16.460 2.852 1.00 64.30 H new ATOM 0 HA PHE A 48 18.481 -16.336 2.027 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.730 -15.523 0.955 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.752 -17.093 0.177 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.707 -14.014 0.577 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.435 -17.512 -1.741 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.203 -13.166 -1.171 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.937 -16.665 -3.493 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.811 -14.493 -3.208 1.00 43.02 H new ATOM 732 N VAL A 49 19.846 -19.292 1.456 1.00 31.14 N ATOM 733 CA VAL A 49 19.540 -20.685 1.153 1.00 4.02 C ATOM 734 C VAL A 49 18.426 -21.211 2.052 1.00 75.11 C ATOM 735 O VAL A 49 17.433 -21.758 1.572 1.00 13.45 O ATOM 736 CB VAL A 49 20.781 -21.581 1.316 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.420 -23.041 1.090 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.883 -21.143 0.362 1.00 40.22 C ATOM 0 H VAL A 49 20.831 -19.109 1.648 1.00 31.14 H new ATOM 0 HA VAL A 49 19.211 -20.718 0.114 1.00 4.02 H new ATOM 0 HB VAL A 49 21.151 -21.477 2.336 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.310 -23.659 1.209 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.666 -23.346 1.816 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.024 -23.166 0.082 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.753 -21.787 0.491 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.526 -21.217 -0.665 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.161 -20.111 0.576 1.00 40.22 H new ATOM 748 N ASP A 50 18.599 -21.042 3.359 1.00 22.50 N ATOM 749 CA ASP A 50 17.608 -21.498 4.326 1.00 13.12 C ATOM 750 C ASP A 50 16.275 -20.785 4.116 1.00 71.13 C ATOM 751 O ASP A 50 15.210 -21.351 4.368 1.00 54.43 O ATOM 752 CB ASP A 50 18.108 -21.259 5.752 1.00 0.42 C ATOM 753 CG ASP A 50 19.131 -22.290 6.186 1.00 65.22 C ATOM 754 OD1 ASP A 50 19.257 -23.327 5.501 1.00 60.22 O ATOM 755 OD2 ASP A 50 19.806 -22.059 7.211 1.00 24.13 O ATOM 0 H ASP A 50 19.416 -20.593 3.772 1.00 22.50 H new ATOM 0 HA ASP A 50 17.456 -22.567 4.176 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.548 -20.264 5.818 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.262 -21.279 6.439 1.00 0.42 H new ATOM 760 N LEU A 51 16.341 -19.543 3.653 1.00 21.14 N ATOM 761 CA LEU A 51 15.139 -18.752 3.408 1.00 73.32 C ATOM 762 C LEU A 51 14.322 -19.343 2.264 1.00 12.04 C ATOM 763 O LEU A 51 13.153 -19.691 2.439 1.00 41.05 O ATOM 764 CB LEU A 51 15.514 -17.304 3.088 1.00 42.44 C ATOM 765 CG LEU A 51 15.449 -16.319 4.256 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.423 -15.171 4.041 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.032 -15.793 4.432 1.00 62.45 C ATOM 0 H LEU A 51 17.214 -19.061 3.439 1.00 21.14 H new ATOM 0 HA LEU A 51 14.530 -18.772 4.312 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.527 -17.293 2.686 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.853 -16.945 2.299 1.00 42.44 H new ATOM 0 HG LEU A 51 15.735 -16.845 5.167 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.363 -14.480 4.882 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.437 -15.563 3.966 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.168 -14.645 3.121 1.00 12.25 H new ATOM 0 HD21 LEU A 51 14.005 -15.094 5.268 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.717 -15.283 3.521 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.357 -16.625 4.633 1.00 62.45 H new ATOM 779 N ILE A 52 14.944 -19.455 1.095 1.00 42.41 N ATOM 780 CA ILE A 52 14.274 -20.007 -0.076 1.00 64.52 C ATOM 781 C ILE A 52 13.794 -21.430 0.185 1.00 62.04 C ATOM 782 O ILE A 52 12.716 -21.824 -0.260 1.00 73.21 O ATOM 783 CB ILE A 52 15.202 -20.008 -1.306 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.507 -20.740 -0.987 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.483 -18.583 -1.758 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.513 -20.700 -2.115 1.00 45.42 C ATOM 0 H ILE A 52 15.910 -19.171 0.934 1.00 42.41 H new ATOM 0 HA ILE A 52 13.415 -19.368 -0.279 1.00 64.52 H new ATOM 0 HB ILE A 52 14.703 -20.534 -2.120 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.954 -20.298 -0.097 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.282 -21.779 -0.748 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.140 -18.600 -2.628 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.545 -18.093 -2.021 1.00 40.14 H new ATOM 0 HG23 ILE A 52 15.965 -18.033 -0.950 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.413 -21.238 -1.819 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.085 -21.169 -3.001 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.767 -19.664 -2.339 1.00 45.42 H new ATOM 798 N MET A 53 14.599 -22.197 0.913 1.00 51.11 N ATOM 799 CA MET A 53 14.254 -23.576 1.237 1.00 32.40 C ATOM 800 C MET A 53 13.081 -23.629 2.209 1.00 13.42 C ATOM 801 O MET A 53 12.202 -24.484 2.091 1.00 74.24 O ATOM 802 CB MET A 53 15.462 -24.299 1.837 1.00 44.13 C ATOM 803 CG MET A 53 16.530 -24.650 0.814 1.00 25.10 C ATOM 804 SD MET A 53 17.157 -26.328 1.012 1.00 72.30 S ATOM 805 CE MET A 53 15.664 -27.281 0.749 1.00 3.12 C ATOM 0 H MET A 53 15.495 -21.887 1.290 1.00 51.11 H new ATOM 0 HA MET A 53 13.961 -24.077 0.314 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.904 -23.671 2.610 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.123 -25.213 2.324 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.118 -24.536 -0.189 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.357 -23.945 0.901 1.00 25.10 H new ATOM 0 HE1 MET A 53 15.924 -28.262 0.350 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.138 -27.402 1.696 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.020 -26.760 0.040 1.00 3.12 H new ATOM 815 N SER A 54 13.072 -22.710 3.169 1.00 2.33 N ATOM 816 CA SER A 54 12.007 -22.655 4.164 1.00 62.54 C ATOM 817 C SER A 54 10.661 -22.370 3.505 1.00 44.30 C ATOM 818 O SER A 54 9.692 -23.104 3.702 1.00 20.01 O ATOM 819 CB SER A 54 12.312 -21.581 5.210 1.00 71.54 C ATOM 820 OG SER A 54 11.159 -21.263 5.968 1.00 73.12 O ATOM 0 H SER A 54 13.790 -21.994 3.279 1.00 2.33 H new ATOM 0 HA SER A 54 11.953 -23.626 4.655 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.102 -21.931 5.874 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.685 -20.684 4.716 1.00 71.54 H new ATOM 0 HG SER A 54 11.382 -20.576 6.630 1.00 73.12 H new ATOM 826 N LEU A 55 10.608 -21.299 2.721 1.00 14.25 N ATOM 827 CA LEU A 55 9.381 -20.915 2.031 1.00 10.24 C ATOM 828 C LEU A 55 8.991 -21.961 0.993 1.00 75.25 C ATOM 829 O LEU A 55 7.810 -22.253 0.807 1.00 71.11 O ATOM 830 CB LEU A 55 9.556 -19.553 1.359 1.00 41.14 C ATOM 831 CG LEU A 55 9.142 -18.336 2.188 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.585 -17.050 1.508 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.637 -18.331 2.412 1.00 42.13 C ATOM 0 H LEU A 55 11.400 -20.681 2.547 1.00 14.25 H new ATOM 0 HA LEU A 55 8.583 -20.848 2.770 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.604 -19.439 1.082 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.980 -19.550 0.434 1.00 41.14 H new ATOM 0 HG LEU A 55 9.634 -18.397 3.159 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.281 -16.195 2.113 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.670 -17.051 1.399 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.122 -16.981 0.524 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.360 -17.458 3.004 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.126 -18.294 1.450 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.345 -19.237 2.943 1.00 42.13 H new ATOM 845 N GLU A 56 9.991 -22.523 0.321 1.00 54.04 N ATOM 846 CA GLU A 56 9.751 -23.539 -0.698 1.00 2.32 C ATOM 847 C GLU A 56 9.003 -24.732 -0.111 1.00 62.44 C ATOM 848 O GLU A 56 7.977 -25.156 -0.641 1.00 54.25 O ATOM 849 CB GLU A 56 11.074 -24.002 -1.310 1.00 1.43 C ATOM 850 CG GLU A 56 10.909 -25.054 -2.394 1.00 42.31 C ATOM 851 CD GLU A 56 12.187 -25.824 -2.660 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.277 -25.239 -2.490 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.098 -27.011 -3.037 1.00 62.11 O ATOM 0 H GLU A 56 10.974 -22.292 0.464 1.00 54.04 H new ATOM 0 HA GLU A 56 9.134 -23.095 -1.479 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.592 -23.139 -1.729 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.709 -24.403 -0.520 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.124 -25.751 -2.102 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.581 -24.572 -3.315 1.00 42.31 H new ATOM 860 N GLU A 57 9.526 -25.270 0.986 1.00 54.50 N ATOM 861 CA GLU A 57 8.910 -26.415 1.644 1.00 24.33 C ATOM 862 C GLU A 57 7.614 -26.010 2.340 1.00 63.24 C ATOM 863 O GLU A 57 6.684 -26.810 2.460 1.00 51.32 O ATOM 864 CB GLU A 57 9.876 -27.031 2.659 1.00 70.42 C ATOM 865 CG GLU A 57 10.104 -26.163 3.886 1.00 45.51 C ATOM 866 CD GLU A 57 10.951 -26.850 4.938 1.00 41.40 C ATOM 867 OE1 GLU A 57 10.831 -28.085 5.083 1.00 54.44 O ATOM 868 OE2 GLU A 57 11.736 -26.155 5.617 1.00 54.52 O ATOM 0 H GLU A 57 10.375 -24.931 1.438 1.00 54.50 H new ATOM 0 HA GLU A 57 8.676 -27.157 0.880 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.488 -27.999 2.976 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.833 -27.215 2.172 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.589 -25.235 3.584 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.141 -25.894 4.320 1.00 45.51 H new ATOM 875 N ARG A 58 7.560 -24.764 2.798 1.00 53.32 N ATOM 876 CA ARG A 58 6.379 -24.253 3.484 1.00 13.33 C ATOM 877 C ARG A 58 5.152 -24.324 2.580 1.00 74.53 C ATOM 878 O ARG A 58 4.144 -24.938 2.930 1.00 31.54 O ATOM 879 CB ARG A 58 6.610 -22.809 3.936 1.00 54.15 C ATOM 880 CG ARG A 58 5.435 -22.212 4.692 1.00 74.42 C ATOM 881 CD ARG A 58 5.605 -22.364 6.196 1.00 52.45 C ATOM 882 NE ARG A 58 5.145 -23.667 6.669 1.00 53.44 N ATOM 883 CZ ARG A 58 5.338 -24.109 7.907 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.978 -23.356 8.791 1.00 42.21 N ATOM 885 NH2 ARG A 58 4.889 -25.305 8.263 1.00 23.43 N ATOM 0 H ARG A 58 8.320 -24.090 2.707 1.00 53.32 H new ATOM 0 HA ARG A 58 6.200 -24.877 4.360 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.495 -22.773 4.571 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.819 -22.193 3.062 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.338 -21.156 4.441 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.513 -22.701 4.378 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.655 -22.233 6.457 1.00 52.45 H new ATOM 0 HD3 ARG A 58 5.049 -21.576 6.705 1.00 52.45 H new ATOM 0 HE ARG A 58 4.649 -24.270 6.013 1.00 53.44 H new ATOM 0 HH11 ARG A 58 6.323 -22.435 8.521 1.00 42.21 H new ATOM 0 HH12 ARG A 58 6.125 -23.698 9.741 1.00 42.21 H new ATOM 0 HH21 ARG A 58 4.395 -25.887 7.586 1.00 23.43 H new ATOM 0 HH22 ARG A 58 5.038 -25.643 9.214 1.00 23.43 H new ATOM 899 N PHE A 59 5.244 -23.690 1.416 1.00 13.35 N ATOM 900 CA PHE A 59 4.141 -23.680 0.462 1.00 45.43 C ATOM 901 C PHE A 59 4.325 -24.766 -0.595 1.00 63.14 C ATOM 902 O PHE A 59 3.614 -24.797 -1.599 1.00 53.21 O ATOM 903 CB PHE A 59 4.034 -22.310 -0.212 1.00 45.14 C ATOM 904 CG PHE A 59 3.540 -21.228 0.705 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.429 -20.490 1.469 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.186 -20.950 0.804 1.00 71.35 C ATOM 907 CE1 PHE A 59 3.978 -19.492 2.313 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.729 -19.955 1.647 1.00 62.10 C ATOM 909 CZ PHE A 59 2.626 -19.225 2.404 1.00 34.21 C ATOM 0 H PHE A 59 6.071 -23.177 1.110 1.00 13.35 H new ATOM 0 HA PHE A 59 3.220 -23.882 1.008 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.013 -22.028 -0.600 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.362 -22.386 -1.067 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.487 -20.697 1.405 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.480 -21.517 0.216 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.682 -18.922 2.901 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.671 -19.748 1.714 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.271 -18.448 3.065 1.00 34.21 H new ATOM 919 N SER A 60 5.286 -25.654 -0.361 1.00 31.03 N ATOM 920 CA SER A 60 5.568 -26.738 -1.293 1.00 23.01 C ATOM 921 C SER A 60 5.747 -26.204 -2.711 1.00 74.45 C ATOM 922 O SER A 60 5.442 -26.888 -3.688 1.00 64.52 O ATOM 923 CB SER A 60 4.440 -27.770 -1.264 1.00 35.11 C ATOM 924 OG SER A 60 4.817 -28.958 -1.940 1.00 74.33 O ATOM 0 H SER A 60 5.882 -25.644 0.466 1.00 31.03 H new ATOM 0 HA SER A 60 6.497 -27.216 -0.984 1.00 23.01 H new ATOM 0 HB2 SER A 60 4.182 -28.002 -0.231 1.00 35.11 H new ATOM 0 HB3 SER A 60 3.548 -27.351 -1.729 1.00 35.11 H new ATOM 0 HG SER A 60 5.170 -28.732 -2.826 1.00 74.33 H new ATOM 930 N LEU A 61 6.246 -24.977 -2.815 1.00 21.40 N ATOM 931 CA LEU A 61 6.466 -24.348 -4.112 1.00 71.22 C ATOM 932 C LEU A 61 7.712 -24.913 -4.786 1.00 54.53 C ATOM 933 O LEU A 61 8.618 -25.410 -4.119 1.00 0.43 O ATOM 934 CB LEU A 61 6.603 -22.832 -3.950 1.00 74.25 C ATOM 935 CG LEU A 61 6.894 -22.045 -5.228 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.766 -22.221 -6.233 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.103 -20.571 -4.910 1.00 62.50 C ATOM 0 H LEU A 61 6.506 -24.398 -2.016 1.00 21.40 H new ATOM 0 HA LEU A 61 5.604 -24.563 -4.743 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.681 -22.449 -3.513 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.401 -22.634 -3.235 1.00 74.25 H new ATOM 0 HG LEU A 61 7.811 -22.435 -5.671 1.00 13.52 H new ATOM 0 HD11 LEU A 61 5.991 -21.653 -7.136 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.664 -23.277 -6.484 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.833 -21.859 -5.800 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.309 -20.026 -5.831 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.204 -20.168 -4.443 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.946 -20.462 -4.228 1.00 62.50 H new ATOM 949 N GLU A 62 7.750 -24.831 -6.113 1.00 64.11 N ATOM 950 CA GLU A 62 8.886 -25.333 -6.876 1.00 40.54 C ATOM 951 C GLU A 62 9.783 -24.187 -7.336 1.00 32.21 C ATOM 952 O GLU A 62 9.540 -23.574 -8.376 1.00 65.30 O ATOM 953 CB GLU A 62 8.401 -26.132 -8.088 1.00 3.23 C ATOM 954 CG GLU A 62 9.509 -26.889 -8.801 1.00 44.02 C ATOM 955 CD GLU A 62 8.977 -27.932 -9.765 1.00 2.22 C ATOM 956 OE1 GLU A 62 8.489 -27.542 -10.848 1.00 33.24 O ATOM 957 OE2 GLU A 62 9.049 -29.134 -9.438 1.00 32.41 O ATOM 0 H GLU A 62 7.008 -24.422 -6.681 1.00 64.11 H new ATOM 0 HA GLU A 62 9.466 -25.987 -6.226 1.00 40.54 H new ATOM 0 HB2 GLU A 62 7.639 -26.840 -7.764 1.00 3.23 H new ATOM 0 HB3 GLU A 62 7.925 -25.452 -8.794 1.00 3.23 H new ATOM 0 HG2 GLU A 62 10.135 -26.182 -9.346 1.00 44.02 H new ATOM 0 HG3 GLU A 62 10.146 -27.374 -8.062 1.00 44.02 H new ATOM 964 N ILE A 63 10.818 -23.904 -6.553 1.00 12.34 N ATOM 965 CA ILE A 63 11.751 -22.832 -6.879 1.00 13.42 C ATOM 966 C ILE A 63 13.018 -23.384 -7.524 1.00 50.35 C ATOM 967 O ILE A 63 13.494 -24.458 -7.159 1.00 1.03 O ATOM 968 CB ILE A 63 12.137 -22.021 -5.628 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.881 -21.502 -4.923 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.053 -20.868 -6.006 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.157 -20.906 -3.561 1.00 31.30 C ATOM 0 H ILE A 63 11.032 -24.402 -5.689 1.00 12.34 H new ATOM 0 HA ILE A 63 11.243 -22.175 -7.585 1.00 13.42 H new ATOM 0 HB ILE A 63 12.674 -22.675 -4.940 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.406 -20.748 -5.551 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.170 -22.321 -4.815 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.317 -20.304 -5.111 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.959 -21.260 -6.468 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.541 -20.212 -6.710 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.223 -20.559 -3.120 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.604 -21.663 -2.916 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.844 -20.066 -3.664 1.00 31.30 H new ATOM 983 N SER A 64 13.560 -22.639 -8.483 1.00 62.12 N ATOM 984 CA SER A 64 14.771 -23.055 -9.180 1.00 24.42 C ATOM 985 C SER A 64 15.937 -22.131 -8.842 1.00 43.13 C ATOM 986 O SER A 64 15.837 -21.289 -7.949 1.00 51.43 O ATOM 987 CB SER A 64 14.536 -23.065 -10.692 1.00 11.30 C ATOM 988 OG SER A 64 13.278 -23.636 -11.008 1.00 62.42 O ATOM 0 H SER A 64 13.180 -21.745 -8.794 1.00 62.12 H new ATOM 0 HA SER A 64 15.022 -24.063 -8.851 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.584 -22.047 -11.078 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.329 -23.629 -11.183 1.00 11.30 H new ATOM 0 HG SER A 64 12.624 -22.922 -11.160 1.00 62.42 H new ATOM 994 N ASP A 65 17.041 -22.293 -9.562 1.00 62.34 N ATOM 995 CA ASP A 65 18.226 -21.474 -9.340 1.00 23.42 C ATOM 996 C ASP A 65 18.066 -20.100 -9.983 1.00 74.13 C ATOM 997 O ASP A 65 18.385 -19.079 -9.376 1.00 54.05 O ATOM 998 CB ASP A 65 19.467 -22.171 -9.902 1.00 52.11 C ATOM 999 CG ASP A 65 20.752 -21.637 -9.301 1.00 70.32 C ATOM 1000 OD1 ASP A 65 21.050 -21.979 -8.136 1.00 61.43 O ATOM 1001 OD2 ASP A 65 21.460 -20.878 -9.994 1.00 71.50 O ATOM 0 H ASP A 65 17.140 -22.985 -10.305 1.00 62.34 H new ATOM 0 HA ASP A 65 18.348 -21.341 -8.265 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.397 -23.242 -9.710 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.494 -22.042 -10.984 1.00 52.11 H new ATOM 1006 N GLU A 66 17.569 -20.084 -11.217 1.00 21.54 N ATOM 1007 CA GLU A 66 17.368 -18.835 -11.941 1.00 3.53 C ATOM 1008 C GLU A 66 16.153 -18.083 -11.405 1.00 44.45 C ATOM 1009 O GLU A 66 16.103 -16.853 -11.444 1.00 51.24 O ATOM 1010 CB GLU A 66 17.190 -19.110 -13.436 1.00 13.04 C ATOM 1011 CG GLU A 66 18.483 -19.014 -14.231 1.00 65.22 C ATOM 1012 CD GLU A 66 18.261 -19.150 -15.724 1.00 70.22 C ATOM 1013 OE1 GLU A 66 17.550 -18.300 -16.299 1.00 75.31 O ATOM 1014 OE2 GLU A 66 18.798 -20.109 -16.318 1.00 23.41 O ATOM 0 H GLU A 66 17.299 -20.921 -11.734 1.00 21.54 H new ATOM 0 HA GLU A 66 18.252 -18.214 -11.794 1.00 3.53 H new ATOM 0 HB2 GLU A 66 16.767 -20.106 -13.566 1.00 13.04 H new ATOM 0 HB3 GLU A 66 16.469 -18.402 -13.844 1.00 13.04 H new ATOM 0 HG2 GLU A 66 18.962 -18.057 -14.024 1.00 65.22 H new ATOM 0 HG3 GLU A 66 19.169 -19.792 -13.897 1.00 65.22 H new ATOM 1021 N ASP A 67 15.176 -18.831 -10.904 1.00 50.34 N ATOM 1022 CA ASP A 67 13.961 -18.237 -10.357 1.00 4.40 C ATOM 1023 C ASP A 67 14.292 -17.262 -9.231 1.00 63.04 C ATOM 1024 O ASP A 67 13.764 -16.152 -9.182 1.00 63.01 O ATOM 1025 CB ASP A 67 13.020 -19.328 -9.845 1.00 31.35 C ATOM 1026 CG ASP A 67 12.661 -20.335 -10.920 1.00 43.02 C ATOM 1027 OD1 ASP A 67 13.043 -20.116 -12.089 1.00 3.12 O ATOM 1028 OD2 ASP A 67 11.999 -21.341 -10.592 1.00 23.01 O ATOM 0 H ASP A 67 15.201 -19.850 -10.865 1.00 50.34 H new ATOM 0 HA ASP A 67 13.464 -17.686 -11.155 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.490 -19.846 -9.009 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.109 -18.868 -9.463 1.00 31.35 H new ATOM 1033 N ALA A 68 15.169 -17.686 -8.328 1.00 50.52 N ATOM 1034 CA ALA A 68 15.570 -16.852 -7.202 1.00 14.12 C ATOM 1035 C ALA A 68 16.401 -15.661 -7.671 1.00 75.14 C ATOM 1036 O ALA A 68 16.484 -14.642 -6.985 1.00 20.01 O ATOM 1037 CB ALA A 68 16.350 -17.674 -6.186 1.00 45.43 C ATOM 0 H ALA A 68 15.616 -18.603 -8.354 1.00 50.52 H new ATOM 0 HA ALA A 68 14.667 -16.469 -6.726 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.643 -17.038 -5.351 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.725 -18.488 -5.820 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.242 -18.085 -6.659 1.00 45.43 H new ATOM 1043 N GLN A 69 17.015 -15.799 -8.841 1.00 33.43 N ATOM 1044 CA GLN A 69 17.841 -14.734 -9.399 1.00 50.50 C ATOM 1045 C GLN A 69 17.038 -13.447 -9.554 1.00 42.43 C ATOM 1046 O GLN A 69 17.601 -12.353 -9.604 1.00 20.02 O ATOM 1047 CB GLN A 69 18.411 -15.159 -10.753 1.00 42.55 C ATOM 1048 CG GLN A 69 19.902 -14.895 -10.896 1.00 42.41 C ATOM 1049 CD GLN A 69 20.464 -15.412 -12.205 1.00 21.43 C ATOM 1050 OE1 GLN A 69 21.138 -16.442 -12.243 1.00 60.33 O ATOM 1051 NE2 GLN A 69 20.188 -14.698 -13.291 1.00 70.11 N ATOM 0 H GLN A 69 16.957 -16.636 -9.421 1.00 33.43 H new ATOM 0 HA GLN A 69 18.663 -14.547 -8.709 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.223 -16.223 -10.899 1.00 42.55 H new ATOM 0 HB3 GLN A 69 17.879 -14.630 -11.544 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.086 -13.823 -10.825 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.431 -15.365 -10.067 1.00 42.41 H new ATOM 0 HE21 GLN A 69 19.626 -13.850 -13.215 1.00 70.11 H new ATOM 0 HE22 GLN A 69 20.538 -14.997 -14.201 1.00 70.11 H new ATOM 1060 N LYS A 70 15.718 -13.584 -9.629 1.00 74.45 N ATOM 1061 CA LYS A 70 14.836 -12.432 -9.777 1.00 1.53 C ATOM 1062 C LYS A 70 14.010 -12.214 -8.514 1.00 1.43 C ATOM 1063 O LYS A 70 13.035 -11.462 -8.520 1.00 51.12 O ATOM 1064 CB LYS A 70 13.909 -12.625 -10.980 1.00 34.22 C ATOM 1065 CG LYS A 70 12.803 -13.639 -10.738 1.00 63.44 C ATOM 1066 CD LYS A 70 12.811 -14.734 -11.791 1.00 33.11 C ATOM 1067 CE LYS A 70 12.053 -14.314 -13.039 1.00 71.42 C ATOM 1068 NZ LYS A 70 12.937 -13.620 -14.018 1.00 44.31 N ATOM 0 H LYS A 70 15.236 -14.482 -9.590 1.00 74.45 H new ATOM 0 HA LYS A 70 15.455 -11.550 -9.941 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.461 -11.666 -11.241 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.502 -12.944 -11.838 1.00 34.22 H new ATOM 0 HG2 LYS A 70 12.924 -14.082 -9.750 1.00 63.44 H new ATOM 0 HG3 LYS A 70 11.837 -13.134 -10.744 1.00 63.44 H new ATOM 0 HD2 LYS A 70 13.840 -14.979 -12.054 1.00 33.11 H new ATOM 0 HD3 LYS A 70 12.363 -15.639 -11.380 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.611 -15.193 -13.508 1.00 71.42 H new ATOM 0 HE3 LYS A 70 11.231 -13.654 -12.760 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 12.404 -13.425 -14.889 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 13.272 -12.724 -13.609 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 13.753 -14.226 -14.239 1.00 44.31 H new ATOM 1082 N LEU A 71 14.407 -12.875 -7.432 1.00 13.15 N ATOM 1083 CA LEU A 71 13.703 -12.751 -6.160 1.00 10.42 C ATOM 1084 C LEU A 71 14.670 -12.396 -5.035 1.00 61.30 C ATOM 1085 O LEU A 71 15.475 -13.223 -4.612 1.00 61.23 O ATOM 1086 CB LEU A 71 12.975 -14.055 -5.829 1.00 23.55 C ATOM 1087 CG LEU A 71 12.029 -14.588 -6.905 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.458 -15.937 -6.495 1.00 21.03 C ATOM 1089 CD2 LEU A 71 10.910 -13.593 -7.173 1.00 12.53 C ATOM 0 H LEU A 71 15.212 -13.502 -7.410 1.00 13.15 H new ATOM 0 HA LEU A 71 12.973 -11.947 -6.254 1.00 10.42 H new ATOM 0 HB2 LEU A 71 13.721 -14.821 -5.618 1.00 23.55 H new ATOM 0 HB3 LEU A 71 12.404 -13.906 -4.913 1.00 23.55 H new ATOM 0 HG LEU A 71 12.597 -14.722 -7.825 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.787 -16.300 -7.274 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.271 -16.649 -6.356 1.00 21.03 H new ATOM 0 HD13 LEU A 71 10.906 -15.830 -5.561 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.247 -13.990 -7.942 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.344 -13.426 -6.256 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.336 -12.649 -7.513 1.00 12.53 H new ATOM 1101 N GLU A 72 14.582 -11.159 -4.555 1.00 14.33 N ATOM 1102 CA GLU A 72 15.448 -10.696 -3.479 1.00 73.52 C ATOM 1103 C GLU A 72 14.658 -9.887 -2.453 1.00 43.43 C ATOM 1104 O GLU A 72 14.852 -10.035 -1.245 1.00 73.12 O ATOM 1105 CB GLU A 72 16.591 -9.847 -4.042 1.00 41.34 C ATOM 1106 CG GLU A 72 16.118 -8.645 -4.843 1.00 21.33 C ATOM 1107 CD GLU A 72 17.061 -8.292 -5.976 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.175 -8.855 -6.019 1.00 52.00 O ATOM 1109 OE2 GLU A 72 16.686 -7.451 -6.820 1.00 42.31 O ATOM 0 H GLU A 72 13.920 -10.461 -4.895 1.00 14.33 H new ATOM 0 HA GLU A 72 15.866 -11.572 -2.983 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.216 -9.501 -3.218 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.218 -10.472 -4.677 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.128 -8.851 -5.250 1.00 21.33 H new ATOM 0 HG3 GLU A 72 16.017 -7.787 -4.178 1.00 21.33 H new ATOM 1116 N THR A 73 13.766 -9.032 -2.943 1.00 72.44 N ATOM 1117 CA THR A 73 12.947 -8.199 -2.071 1.00 4.34 C ATOM 1118 C THR A 73 11.661 -8.915 -1.676 1.00 12.00 C ATOM 1119 O THR A 73 11.206 -9.825 -2.370 1.00 42.34 O ATOM 1120 CB THR A 73 12.590 -6.861 -2.747 1.00 65.13 C ATOM 1121 OG1 THR A 73 11.622 -7.077 -3.780 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.829 -6.204 -3.335 1.00 4.33 C ATOM 0 H THR A 73 13.592 -8.898 -3.939 1.00 72.44 H new ATOM 0 HA THR A 73 13.538 -8.000 -1.177 1.00 4.34 H new ATOM 0 HB THR A 73 12.171 -6.197 -1.990 1.00 65.13 H new ATOM 0 HG1 THR A 73 12.072 -7.102 -4.650 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.552 -5.261 -3.807 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.551 -6.014 -2.541 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.273 -6.865 -4.079 1.00 4.33 H new ATOM 1130 N VAL A 74 11.076 -8.498 -0.557 1.00 44.25 N ATOM 1131 CA VAL A 74 9.840 -9.100 -0.070 1.00 71.10 C ATOM 1132 C VAL A 74 8.754 -9.064 -1.139 1.00 60.12 C ATOM 1133 O VAL A 74 8.004 -10.026 -1.308 1.00 22.51 O ATOM 1134 CB VAL A 74 9.327 -8.381 1.192 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.052 -9.038 1.698 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.397 -8.374 2.273 1.00 34.04 C ATOM 0 H VAL A 74 11.438 -7.746 0.029 1.00 44.25 H new ATOM 0 HA VAL A 74 10.067 -10.137 0.178 1.00 71.10 H new ATOM 0 HB VAL A 74 9.098 -7.347 0.933 1.00 25.12 H new ATOM 0 HG11 VAL A 74 7.704 -8.517 2.590 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.285 -8.987 0.925 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.252 -10.081 1.942 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.017 -7.862 3.157 1.00 34.04 H new ATOM 0 HG22 VAL A 74 10.659 -9.400 2.532 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.282 -7.855 1.905 1.00 34.04 H new ATOM 1146 N ASP A 75 8.676 -7.951 -1.859 1.00 22.54 N ATOM 1147 CA ASP A 75 7.681 -7.790 -2.914 1.00 40.14 C ATOM 1148 C ASP A 75 7.915 -8.795 -4.037 1.00 70.00 C ATOM 1149 O ASP A 75 7.017 -9.556 -4.400 1.00 42.53 O ATOM 1150 CB ASP A 75 7.722 -6.365 -3.470 1.00 63.23 C ATOM 1151 CG ASP A 75 6.656 -6.124 -4.520 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.470 -6.008 -4.147 1.00 1.32 O ATOM 1153 OD2 ASP A 75 7.008 -6.050 -5.716 1.00 23.41 O ATOM 0 H ASP A 75 9.290 -7.146 -1.732 1.00 22.54 H new ATOM 0 HA ASP A 75 6.697 -7.975 -2.484 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.591 -5.655 -2.653 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.704 -6.175 -3.903 1.00 63.23 H new ATOM 1158 N ASP A 76 9.125 -8.791 -4.586 1.00 53.01 N ATOM 1159 CA ASP A 76 9.477 -9.702 -5.669 1.00 32.13 C ATOM 1160 C ASP A 76 9.236 -11.152 -5.260 1.00 4.15 C ATOM 1161 O ASP A 76 8.589 -11.911 -5.980 1.00 73.03 O ATOM 1162 CB ASP A 76 10.939 -9.509 -6.073 1.00 73.52 C ATOM 1163 CG ASP A 76 11.160 -8.224 -6.848 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.209 -7.762 -7.512 1.00 14.20 O ATOM 1165 OD2 ASP A 76 12.285 -7.684 -6.793 1.00 43.24 O ATOM 0 H ASP A 76 9.879 -8.167 -4.299 1.00 53.01 H new ATOM 0 HA ASP A 76 8.840 -9.474 -6.523 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.562 -9.503 -5.179 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.260 -10.356 -6.680 1.00 73.52 H new ATOM 1170 N ILE A 77 9.761 -11.527 -4.098 1.00 33.41 N ATOM 1171 CA ILE A 77 9.604 -12.886 -3.593 1.00 42.01 C ATOM 1172 C ILE A 77 8.133 -13.224 -3.376 1.00 14.23 C ATOM 1173 O ILE A 77 7.625 -14.206 -3.917 1.00 4.43 O ATOM 1174 CB ILE A 77 10.367 -13.085 -2.270 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.853 -12.779 -2.461 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.175 -14.506 -1.758 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.587 -12.511 -1.166 1.00 0.20 C ATOM 0 H ILE A 77 10.298 -10.910 -3.489 1.00 33.41 H new ATOM 0 HA ILE A 77 10.020 -13.555 -4.347 1.00 42.01 H new ATOM 0 HB ILE A 77 9.966 -12.394 -1.529 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.326 -13.619 -2.970 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.956 -11.912 -3.114 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.720 -14.632 -0.822 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.114 -14.691 -1.588 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.553 -15.213 -2.496 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.635 -12.302 -1.379 1.00 0.20 H new ATOM 0 HD12 ILE A 77 12.140 -11.652 -0.665 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.516 -13.386 -0.520 1.00 0.20 H new ATOM 1189 N CYS A 78 7.454 -12.404 -2.581 1.00 61.25 N ATOM 1190 CA CYS A 78 6.041 -12.616 -2.292 1.00 2.14 C ATOM 1191 C CYS A 78 5.233 -12.727 -3.581 1.00 72.24 C ATOM 1192 O CYS A 78 4.330 -13.557 -3.691 1.00 42.05 O ATOM 1193 CB CYS A 78 5.498 -11.473 -1.434 1.00 33.40 C ATOM 1194 SG CYS A 78 3.884 -11.809 -0.691 1.00 42.35 S ATOM 0 H CYS A 78 7.860 -11.586 -2.125 1.00 61.25 H new ATOM 0 HA CYS A 78 5.945 -13.552 -1.742 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.213 -11.257 -0.640 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.423 -10.576 -2.048 1.00 33.40 H new ATOM 0 HG CYS A 78 3.224 -12.639 -1.443 1.00 42.35 H new ATOM 1200 N ARG A 79 5.563 -11.884 -4.555 1.00 42.12 N ATOM 1201 CA ARG A 79 4.866 -11.885 -5.835 1.00 32.51 C ATOM 1202 C ARG A 79 5.042 -13.223 -6.548 1.00 62.11 C ATOM 1203 O ARG A 79 4.070 -13.832 -6.996 1.00 54.33 O ATOM 1204 CB ARG A 79 5.382 -10.751 -6.723 1.00 34.14 C ATOM 1205 CG ARG A 79 4.441 -10.390 -7.860 1.00 33.33 C ATOM 1206 CD ARG A 79 4.595 -11.343 -9.034 1.00 43.34 C ATOM 1207 NE ARG A 79 4.196 -10.726 -10.297 1.00 64.15 N ATOM 1208 CZ ARG A 79 4.446 -11.260 -11.487 1.00 42.12 C ATOM 1209 NH1 ARG A 79 5.089 -12.415 -11.577 1.00 41.13 N ATOM 1210 NH2 ARG A 79 4.051 -10.637 -12.591 1.00 72.00 N ATOM 0 H ARG A 79 6.309 -11.192 -4.481 1.00 42.12 H new ATOM 0 HA ARG A 79 3.804 -11.731 -5.642 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.550 -9.867 -6.108 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.348 -11.038 -7.139 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.411 -10.414 -7.503 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.641 -9.370 -8.189 1.00 33.33 H new ATOM 0 HD2 ARG A 79 5.633 -11.669 -9.102 1.00 43.34 H new ATOM 0 HD3 ARG A 79 3.992 -12.234 -8.859 1.00 43.34 H new ATOM 0 HE ARG A 79 3.698 -9.836 -10.263 1.00 64.15 H new ATOM 0 HH11 ARG A 79 5.393 -12.897 -10.731 1.00 41.13 H new ATOM 0 HH12 ARG A 79 5.280 -12.823 -12.492 1.00 41.13 H new ATOM 0 HH21 ARG A 79 3.555 -9.748 -12.525 1.00 72.00 H new ATOM 0 HH22 ARG A 79 4.243 -11.047 -13.505 1.00 72.00 H new ATOM 1224 N TYR A 80 6.287 -13.674 -6.650 1.00 65.34 N ATOM 1225 CA TYR A 80 6.591 -14.938 -7.311 1.00 50.23 C ATOM 1226 C TYR A 80 5.857 -16.093 -6.639 1.00 33.42 C ATOM 1227 O TYR A 80 5.365 -17.003 -7.307 1.00 3.40 O ATOM 1228 CB TYR A 80 8.098 -15.196 -7.294 1.00 55.12 C ATOM 1229 CG TYR A 80 8.481 -16.579 -7.773 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.529 -17.652 -6.891 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.795 -16.813 -9.105 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.877 -18.917 -7.323 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.143 -18.074 -9.547 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.184 -19.123 -8.652 1.00 53.44 C ATOM 1235 OH TYR A 80 9.532 -20.381 -9.087 1.00 12.11 O ATOM 0 H TYR A 80 7.103 -13.183 -6.283 1.00 65.34 H new ATOM 0 HA TYR A 80 6.253 -14.870 -8.345 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.592 -14.454 -7.921 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.471 -15.056 -6.279 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.290 -17.494 -5.850 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.767 -15.994 -9.808 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.909 -19.740 -6.624 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.382 -18.238 -10.587 1.00 4.04 H new ATOM 0 HH TYR A 80 10.384 -20.336 -9.570 1.00 12.11 H new ATOM 1245 N ILE A 81 5.788 -16.050 -5.313 1.00 75.45 N ATOM 1246 CA ILE A 81 5.113 -17.093 -4.550 1.00 44.21 C ATOM 1247 C ILE A 81 3.598 -16.987 -4.694 1.00 45.44 C ATOM 1248 O ILE A 81 2.897 -17.996 -4.737 1.00 63.42 O ATOM 1249 CB ILE A 81 5.481 -17.024 -3.055 1.00 32.32 C ATOM 1250 CG1 ILE A 81 6.991 -17.188 -2.872 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.728 -18.092 -2.275 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.450 -17.001 -1.443 1.00 20.45 C ATOM 0 H ILE A 81 6.191 -15.305 -4.745 1.00 75.45 H new ATOM 0 HA ILE A 81 5.448 -18.048 -4.955 1.00 44.21 H new ATOM 0 HB ILE A 81 5.191 -16.047 -2.668 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.284 -18.181 -3.212 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.506 -16.468 -3.508 1.00 21.53 H new ATOM 0 HG21 ILE A 81 4.998 -18.031 -1.221 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.655 -17.934 -2.384 1.00 70.44 H new ATOM 0 HG23 ILE A 81 4.991 -19.077 -2.660 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.531 -17.132 -1.388 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.188 -15.998 -1.105 1.00 20.45 H new ATOM 0 HD13 ILE A 81 6.963 -17.738 -0.805 1.00 20.45 H new ATOM 1264 N ALA A 82 3.102 -15.757 -4.770 1.00 24.44 N ATOM 1265 CA ALA A 82 1.671 -15.518 -4.914 1.00 74.32 C ATOM 1266 C ALA A 82 1.176 -15.961 -6.287 1.00 1.20 C ATOM 1267 O ALA A 82 0.148 -16.628 -6.401 1.00 72.43 O ATOM 1268 CB ALA A 82 1.356 -14.047 -4.686 1.00 50.42 C ATOM 0 H ALA A 82 3.670 -14.910 -4.734 1.00 24.44 H new ATOM 0 HA ALA A 82 1.151 -16.110 -4.161 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.284 -13.883 -4.797 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.665 -13.760 -3.681 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.893 -13.442 -5.417 1.00 50.42 H new ATOM 1274 N SER A 83 1.913 -15.585 -7.327 1.00 34.12 N ATOM 1275 CA SER A 83 1.546 -15.940 -8.692 1.00 43.14 C ATOM 1276 C SER A 83 1.359 -17.448 -8.830 1.00 54.13 C ATOM 1277 O SER A 83 0.603 -17.917 -9.682 1.00 22.31 O ATOM 1278 CB SER A 83 2.617 -15.455 -9.673 1.00 1.43 C ATOM 1279 OG SER A 83 2.262 -15.766 -11.009 1.00 10.43 O ATOM 0 H SER A 83 2.768 -15.034 -7.250 1.00 34.12 H new ATOM 0 HA SER A 83 0.600 -15.452 -8.927 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.749 -14.378 -9.570 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.574 -15.918 -9.430 1.00 1.43 H new ATOM 0 HG SER A 83 2.961 -15.445 -11.616 1.00 10.43 H new ATOM 1285 N LYS A 84 2.053 -18.204 -7.986 1.00 42.25 N ATOM 1286 CA LYS A 84 1.965 -19.659 -8.010 1.00 0.24 C ATOM 1287 C LYS A 84 0.713 -20.140 -7.283 1.00 65.15 C ATOM 1288 O LYS A 84 0.118 -21.152 -7.655 1.00 0.04 O ATOM 1289 CB LYS A 84 3.209 -20.277 -7.370 1.00 70.24 C ATOM 1290 CG LYS A 84 4.506 -19.884 -8.056 1.00 52.41 C ATOM 1291 CD LYS A 84 4.839 -20.827 -9.200 1.00 32.14 C ATOM 1292 CE LYS A 84 6.284 -20.671 -9.648 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.676 -21.718 -10.632 1.00 51.04 N ATOM 0 H LYS A 84 2.684 -17.832 -7.276 1.00 42.25 H new ATOM 0 HA LYS A 84 1.904 -19.977 -9.051 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.256 -19.976 -6.323 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.114 -21.363 -7.386 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.424 -18.865 -8.435 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.319 -19.890 -7.330 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.663 -21.856 -8.887 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.173 -20.631 -10.040 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.422 -19.685 -10.092 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.941 -20.724 -8.780 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 7.667 -21.577 -10.912 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 6.569 -22.658 -10.200 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 6.066 -21.651 -11.472 1.00 51.04 H new ATOM 1307 N SER A 85 0.318 -19.407 -6.247 1.00 10.43 N ATOM 1308 CA SER A 85 -0.862 -19.760 -5.467 1.00 43.33 C ATOM 1309 C SER A 85 -2.138 -19.335 -6.187 1.00 10.44 C ATOM 1310 O SER A 85 -2.100 -18.912 -7.342 1.00 32.24 O ATOM 1311 CB SER A 85 -0.800 -19.107 -4.085 1.00 24.21 C ATOM 1312 OG SER A 85 -1.757 -19.676 -3.208 1.00 62.21 O ATOM 0 H SER A 85 0.798 -18.565 -5.928 1.00 10.43 H new ATOM 0 HA SER A 85 -0.877 -20.843 -5.349 1.00 43.33 H new ATOM 0 HB2 SER A 85 0.199 -19.229 -3.666 1.00 24.21 H new ATOM 0 HB3 SER A 85 -0.979 -18.036 -4.177 1.00 24.21 H new ATOM 0 HG SER A 85 -1.696 -19.243 -2.331 1.00 62.21 H new ATOM 1318 N SER A 86 -3.267 -19.450 -5.496 1.00 23.42 N ATOM 1319 CA SER A 86 -4.555 -19.081 -6.069 1.00 64.32 C ATOM 1320 C SER A 86 -4.994 -17.705 -5.578 1.00 34.22 C ATOM 1321 O SER A 86 -6.188 -17.428 -5.456 1.00 3.04 O ATOM 1322 CB SER A 86 -5.616 -20.124 -5.709 1.00 61.24 C ATOM 1323 OG SER A 86 -5.765 -20.236 -4.304 1.00 32.21 O ATOM 0 H SER A 86 -3.316 -19.796 -4.538 1.00 23.42 H new ATOM 0 HA SER A 86 -4.444 -19.044 -7.153 1.00 64.32 H new ATOM 0 HB2 SER A 86 -6.570 -19.847 -6.158 1.00 61.24 H new ATOM 0 HB3 SER A 86 -5.336 -21.091 -6.126 1.00 61.24 H new ATOM 0 HG SER A 86 -6.449 -20.907 -4.100 1.00 32.21 H new ATOM 1329 N ASP A 87 -4.020 -16.844 -5.300 1.00 33.10 N ATOM 1330 CA ASP A 87 -4.304 -15.496 -4.825 1.00 34.24 C ATOM 1331 C ASP A 87 -5.224 -14.760 -5.793 1.00 52.42 C ATOM 1332 O ASP A 87 -5.136 -14.942 -7.007 1.00 53.21 O ATOM 1333 CB ASP A 87 -3.003 -14.712 -4.642 1.00 33.23 C ATOM 1334 CG ASP A 87 -2.350 -14.359 -5.963 1.00 3.24 C ATOM 1335 OD1 ASP A 87 -2.301 -15.234 -6.854 1.00 24.05 O ATOM 1336 OD2 ASP A 87 -1.888 -13.208 -6.107 1.00 61.42 O ATOM 0 H ASP A 87 -3.027 -17.057 -5.396 1.00 33.10 H new ATOM 0 HA ASP A 87 -4.810 -15.576 -3.863 1.00 34.24 H new ATOM 0 HB2 ASP A 87 -3.208 -13.797 -4.086 1.00 33.23 H new ATOM 0 HB3 ASP A 87 -2.309 -15.301 -4.042 1.00 33.23 H new ATOM 1341 N ALA A 88 -6.106 -13.929 -5.248 1.00 51.22 N ATOM 1342 CA ALA A 88 -7.041 -13.165 -6.065 1.00 24.22 C ATOM 1343 C ALA A 88 -6.504 -11.768 -6.353 1.00 25.02 C ATOM 1344 O ALA A 88 -6.243 -11.418 -7.505 1.00 32.15 O ATOM 1345 CB ALA A 88 -8.396 -13.080 -5.376 1.00 70.24 C ATOM 0 H ALA A 88 -6.193 -13.768 -4.245 1.00 51.22 H new ATOM 0 HA ALA A 88 -7.161 -13.683 -7.017 1.00 24.22 H new ATOM 0 HB1 ALA A 88 -9.085 -12.507 -5.997 1.00 70.24 H new ATOM 0 HB2 ALA A 88 -8.792 -14.085 -5.227 1.00 70.24 H new ATOM 0 HB3 ALA A 88 -8.283 -12.588 -4.410 1.00 70.24 H new TER 1351 ALA A 88