USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 639 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.197 USER MOD Single : A 30 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.038) USER MOD Single : A 31 SER OG : rot 180:sc= 0.104 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.02) USER MOD Single : A 43 GLN : amide:sc= -2.74 K(o=-2.7,f=-11!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.43! C(o=-3.4!,f=-3.4!) USER MOD Single : A 57 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.0011) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.83 X(o=-1.8,f=-1.7!) USER MOD Single : A 64 MET CE :methyl -129:sc= -0.956 (180deg=-1.77) USER MOD Single : A 67 GLN : amide:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.0037) USER MOD Single : A 79 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.3) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 89:sc= 0.897 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.0319 X(o=0.032,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 9.630 1.270 3.136 1.00 0.00 N ATOM 2 CA MET A 21 10.658 0.729 2.255 1.00 52.33 C ATOM 3 C MET A 21 11.208 1.813 1.332 1.00 63.31 C ATOM 4 O MET A 21 12.381 1.785 0.957 1.00 71.25 O ATOM 5 CB MET A 21 10.093 -0.425 1.426 1.00 2.52 C ATOM 6 CG MET A 21 10.728 -1.770 1.743 1.00 60.21 C ATOM 7 SD MET A 21 11.675 -2.434 0.359 1.00 13.12 S ATOM 8 CE MET A 21 10.354 -2.978 -0.722 1.00 51.14 C ATOM 0 HA MET A 21 11.474 0.356 2.875 1.00 52.33 H new ATOM 0 HB2 MET A 21 9.018 -0.491 1.595 1.00 2.52 H new ATOM 0 HB3 MET A 21 10.236 -0.205 0.368 1.00 2.52 H new ATOM 0 HG2 MET A 21 11.382 -1.664 2.608 1.00 60.21 H new ATOM 0 HG3 MET A 21 9.948 -2.480 2.018 1.00 60.21 H new ATOM 0 HE1 MET A 21 10.780 -3.414 -1.626 1.00 51.14 H new ATOM 0 HE2 MET A 21 9.749 -3.725 -0.209 1.00 51.14 H new ATOM 0 HE3 MET A 21 9.729 -2.126 -0.990 1.00 51.14 H new ATOM 18 N ILE A 22 10.352 2.763 0.968 1.00 72.20 N ATOM 19 CA ILE A 22 10.754 3.854 0.089 1.00 74.31 C ATOM 20 C ILE A 22 10.226 5.191 0.597 1.00 3.25 C ATOM 21 O ILE A 22 9.174 5.254 1.233 1.00 53.33 O ATOM 22 CB ILE A 22 10.253 3.632 -1.350 1.00 25.52 C ATOM 23 CG1 ILE A 22 8.728 3.510 -1.370 1.00 4.05 C ATOM 24 CG2 ILE A 22 10.896 2.389 -1.948 1.00 31.33 C ATOM 25 CD1 ILE A 22 8.042 4.647 -2.095 1.00 51.51 C ATOM 0 H ILE A 22 9.378 2.799 1.268 1.00 72.20 H new ATOM 0 HA ILE A 22 11.844 3.872 0.087 1.00 74.31 H new ATOM 0 HB ILE A 22 10.538 4.493 -1.955 1.00 25.52 H new ATOM 0 HG12 ILE A 22 8.453 2.568 -1.845 1.00 4.05 H new ATOM 0 HG13 ILE A 22 8.361 3.469 -0.344 1.00 4.05 H new ATOM 0 HG21 ILE A 22 10.532 2.245 -2.965 1.00 31.33 H new ATOM 0 HG22 ILE A 22 11.979 2.511 -1.964 1.00 31.33 H new ATOM 0 HG23 ILE A 22 10.638 1.519 -1.344 1.00 31.33 H new ATOM 0 HD11 ILE A 22 6.963 4.496 -2.070 1.00 51.51 H new ATOM 0 HD12 ILE A 22 8.288 5.590 -1.607 1.00 51.51 H new ATOM 0 HD13 ILE A 22 8.381 4.675 -3.131 1.00 51.51 H new ATOM 37 N SER A 23 10.963 6.260 0.311 1.00 14.52 N ATOM 38 CA SER A 23 10.571 7.597 0.741 1.00 24.41 C ATOM 39 C SER A 23 11.243 8.663 -0.119 1.00 72.30 C ATOM 40 O SER A 23 11.650 9.712 0.379 1.00 61.10 O ATOM 41 CB SER A 23 10.932 7.810 2.212 1.00 15.33 C ATOM 42 OG SER A 23 12.198 7.249 2.513 1.00 3.43 O ATOM 0 H SER A 23 11.835 6.226 -0.217 1.00 14.52 H new ATOM 0 HA SER A 23 9.491 7.687 0.623 1.00 24.41 H new ATOM 0 HB2 SER A 23 10.941 8.877 2.437 1.00 15.33 H new ATOM 0 HB3 SER A 23 10.170 7.357 2.846 1.00 15.33 H new ATOM 0 HG SER A 23 12.406 7.400 3.459 1.00 3.43 H new ATOM 48 N GLY A 24 11.355 8.386 -1.415 1.00 24.14 N ATOM 49 CA GLY A 24 11.978 9.329 -2.324 1.00 51.04 C ATOM 50 C GLY A 24 11.315 9.347 -3.686 1.00 72.32 C ATOM 51 O GLY A 24 11.931 8.983 -4.689 1.00 12.03 O ATOM 0 H GLY A 24 11.025 7.525 -1.851 1.00 24.14 H new ATOM 0 HA2 GLY A 24 11.937 10.328 -1.890 1.00 51.04 H new ATOM 0 HA3 GLY A 24 13.032 9.075 -2.440 1.00 51.04 H new ATOM 55 N LEU A 25 10.056 9.767 -3.724 1.00 31.11 N ATOM 56 CA LEU A 25 9.307 9.828 -4.975 1.00 21.41 C ATOM 57 C LEU A 25 9.003 11.273 -5.358 1.00 34.34 C ATOM 58 O LEU A 25 8.822 11.589 -6.534 1.00 44.25 O ATOM 59 CB LEU A 25 8.005 9.036 -4.851 1.00 14.10 C ATOM 60 CG LEU A 25 7.500 8.370 -6.131 1.00 4.43 C ATOM 61 CD1 LEU A 25 6.686 7.129 -5.803 1.00 51.30 C ATOM 62 CD2 LEU A 25 6.673 9.350 -6.952 1.00 33.24 C ATOM 0 H LEU A 25 9.532 10.071 -2.903 1.00 31.11 H new ATOM 0 HA LEU A 25 9.921 9.386 -5.760 1.00 21.41 H new ATOM 0 HB2 LEU A 25 8.143 8.264 -4.094 1.00 14.10 H new ATOM 0 HB3 LEU A 25 7.229 9.707 -4.484 1.00 14.10 H new ATOM 0 HG LEU A 25 8.363 8.067 -6.724 1.00 4.43 H new ATOM 0 HD11 LEU A 25 6.335 6.669 -6.727 1.00 51.30 H new ATOM 0 HD12 LEU A 25 7.308 6.419 -5.258 1.00 51.30 H new ATOM 0 HD13 LEU A 25 5.830 7.407 -5.189 1.00 51.30 H new ATOM 0 HD21 LEU A 25 6.322 8.859 -7.859 1.00 33.24 H new ATOM 0 HD22 LEU A 25 5.817 9.684 -6.366 1.00 33.24 H new ATOM 0 HD23 LEU A 25 7.287 10.210 -7.219 1.00 33.24 H new ATOM 74 N ARG A 26 8.950 12.146 -4.357 1.00 43.30 N ATOM 75 CA ARG A 26 8.669 13.557 -4.589 1.00 70.54 C ATOM 76 C ARG A 26 7.334 13.735 -5.307 1.00 71.23 C ATOM 77 O ARG A 26 7.270 13.718 -6.536 1.00 53.32 O ATOM 78 CB ARG A 26 9.791 14.194 -5.410 1.00 60.41 C ATOM 79 CG ARG A 26 10.969 14.664 -4.572 1.00 35.33 C ATOM 80 CD ARG A 26 12.189 13.782 -4.784 1.00 33.14 C ATOM 81 NE ARG A 26 13.264 14.099 -3.846 1.00 43.10 N ATOM 82 CZ ARG A 26 13.303 13.654 -2.595 1.00 51.43 C ATOM 83 NH1 ARG A 26 12.334 12.876 -2.134 1.00 64.12 N ATOM 84 NH2 ARG A 26 14.314 13.987 -1.804 1.00 24.53 N ATOM 0 H ARG A 26 9.098 11.901 -3.378 1.00 43.30 H new ATOM 0 HA ARG A 26 8.610 14.054 -3.621 1.00 70.54 H new ATOM 0 HB2 ARG A 26 10.145 13.473 -6.147 1.00 60.41 H new ATOM 0 HB3 ARG A 26 9.388 15.043 -5.963 1.00 60.41 H new ATOM 0 HG2 ARG A 26 11.214 15.694 -4.831 1.00 35.33 H new ATOM 0 HG3 ARG A 26 10.693 14.658 -3.518 1.00 35.33 H new ATOM 0 HD2 ARG A 26 11.904 12.736 -4.669 1.00 33.14 H new ATOM 0 HD3 ARG A 26 12.551 13.904 -5.805 1.00 33.14 H new ATOM 0 HE ARG A 26 14.026 14.695 -4.170 1.00 43.10 H new ATOM 0 HH11 ARG A 26 11.556 12.617 -2.740 1.00 64.12 H new ATOM 0 HH12 ARG A 26 12.367 12.536 -1.173 1.00 64.12 H new ATOM 0 HH21 ARG A 26 15.062 14.585 -2.156 1.00 24.53 H new ATOM 0 HH22 ARG A 26 14.344 13.645 -0.843 1.00 24.53 H new ATOM 98 N THR A 27 6.268 13.907 -4.530 1.00 74.20 N ATOM 99 CA THR A 27 4.935 14.085 -5.091 1.00 3.15 C ATOM 100 C THR A 27 4.726 15.519 -5.565 1.00 11.44 C ATOM 101 O THR A 27 5.383 16.445 -5.085 1.00 13.24 O ATOM 102 CB THR A 27 3.843 13.731 -4.065 1.00 64.45 C ATOM 103 OG1 THR A 27 3.985 14.547 -2.896 1.00 75.14 O ATOM 104 CG2 THR A 27 3.919 12.262 -3.678 1.00 62.34 C ATOM 0 H THR A 27 6.303 13.927 -3.511 1.00 74.20 H new ATOM 0 HA THR A 27 4.856 13.409 -5.942 1.00 3.15 H new ATOM 0 HB THR A 27 2.872 13.919 -4.522 1.00 64.45 H new ATOM 0 HG1 THR A 27 3.286 14.317 -2.249 1.00 75.14 H new ATOM 0 HG21 THR A 27 3.138 12.036 -2.952 1.00 62.34 H new ATOM 0 HG22 THR A 27 3.780 11.644 -4.565 1.00 62.34 H new ATOM 0 HG23 THR A 27 4.894 12.051 -3.239 1.00 62.34 H new ATOM 112 N LEU A 28 3.808 15.697 -6.508 1.00 61.05 N ATOM 113 CA LEU A 28 3.512 17.020 -7.047 1.00 24.32 C ATOM 114 C LEU A 28 2.338 17.657 -6.310 1.00 71.42 C ATOM 115 O LEU A 28 1.781 18.659 -6.759 1.00 42.34 O ATOM 116 CB LEU A 28 3.199 16.925 -8.542 1.00 1.20 C ATOM 117 CG LEU A 28 2.810 18.234 -9.231 1.00 31.40 C ATOM 118 CD1 LEU A 28 3.728 19.363 -8.789 1.00 43.04 C ATOM 119 CD2 LEU A 28 2.848 18.073 -10.743 1.00 12.14 C ATOM 0 H LEU A 28 3.256 14.942 -6.915 1.00 61.05 H new ATOM 0 HA LEU A 28 4.391 17.649 -6.905 1.00 24.32 H new ATOM 0 HB2 LEU A 28 4.072 16.516 -9.050 1.00 1.20 H new ATOM 0 HB3 LEU A 28 2.387 16.211 -8.678 1.00 1.20 H new ATOM 0 HG LEU A 28 1.791 18.487 -8.939 1.00 31.40 H new ATOM 0 HD11 LEU A 28 3.436 20.286 -9.289 1.00 43.04 H new ATOM 0 HD12 LEU A 28 3.649 19.495 -7.710 1.00 43.04 H new ATOM 0 HD13 LEU A 28 4.758 19.118 -9.050 1.00 43.04 H new ATOM 0 HD21 LEU A 28 2.568 19.014 -11.216 1.00 12.14 H new ATOM 0 HD22 LEU A 28 3.855 17.795 -11.054 1.00 12.14 H new ATOM 0 HD23 LEU A 28 2.148 17.294 -11.044 1.00 12.14 H new ATOM 131 N GLU A 29 1.969 17.070 -5.176 1.00 71.21 N ATOM 132 CA GLU A 29 0.861 17.583 -4.377 1.00 54.42 C ATOM 133 C GLU A 29 -0.434 17.588 -5.182 1.00 50.35 C ATOM 134 O GLU A 29 -0.996 18.645 -5.467 1.00 23.30 O ATOM 135 CB GLU A 29 1.172 18.998 -3.882 1.00 64.24 C ATOM 136 CG GLU A 29 1.913 19.029 -2.556 1.00 53.41 C ATOM 137 CD GLU A 29 3.362 18.598 -2.686 1.00 22.11 C ATOM 138 OE1 GLU A 29 4.068 19.148 -3.557 1.00 0.41 O ATOM 139 OE2 GLU A 29 3.787 17.711 -1.918 1.00 22.55 O ATOM 0 H GLU A 29 2.420 16.240 -4.790 1.00 71.21 H new ATOM 0 HA GLU A 29 0.732 16.925 -3.518 1.00 54.42 H new ATOM 0 HB2 GLU A 29 1.768 19.514 -4.634 1.00 64.24 H new ATOM 0 HB3 GLU A 29 0.239 19.552 -3.780 1.00 64.24 H new ATOM 0 HG2 GLU A 29 1.874 20.038 -2.146 1.00 53.41 H new ATOM 0 HG3 GLU A 29 1.406 18.376 -1.846 1.00 53.41 H new ATOM 146 N GLN A 30 -0.902 16.398 -5.546 1.00 11.21 N ATOM 147 CA GLN A 30 -2.131 16.265 -6.320 1.00 53.41 C ATOM 148 C GLN A 30 -3.330 16.779 -5.530 1.00 1.24 C ATOM 149 O GLN A 30 -3.640 16.270 -4.453 1.00 70.32 O ATOM 150 CB GLN A 30 -2.354 14.804 -6.715 1.00 14.42 C ATOM 151 CG GLN A 30 -1.178 14.188 -7.455 1.00 43.14 C ATOM 152 CD GLN A 30 -0.745 12.862 -6.860 1.00 14.25 C ATOM 153 OE1 GLN A 30 -0.610 11.865 -7.570 1.00 75.34 O ATOM 154 NE2 GLN A 30 -0.525 12.844 -5.551 1.00 41.52 N ATOM 0 H GLN A 30 -0.449 15.513 -5.318 1.00 11.21 H new ATOM 0 HA GLN A 30 -2.029 16.867 -7.223 1.00 53.41 H new ATOM 0 HB2 GLN A 30 -2.554 14.220 -5.817 1.00 14.42 H new ATOM 0 HB3 GLN A 30 -3.243 14.737 -7.343 1.00 14.42 H new ATOM 0 HG2 GLN A 30 -1.448 14.042 -8.501 1.00 43.14 H new ATOM 0 HG3 GLN A 30 -0.338 14.882 -7.436 1.00 43.14 H new ATOM 0 HE21 GLN A 30 -0.649 13.694 -5.001 1.00 41.52 H new ATOM 0 HE22 GLN A 30 -0.232 11.980 -5.095 1.00 41.52 H new ATOM 163 N SER A 31 -4.001 17.790 -6.072 1.00 15.30 N ATOM 164 CA SER A 31 -5.164 18.376 -5.416 1.00 20.14 C ATOM 165 C SER A 31 -6.192 17.303 -5.072 1.00 72.11 C ATOM 166 O SER A 31 -6.106 16.169 -5.546 1.00 2.02 O ATOM 167 CB SER A 31 -5.801 19.439 -6.312 1.00 15.13 C ATOM 168 OG SER A 31 -4.894 19.875 -7.311 1.00 35.43 O ATOM 0 H SER A 31 -3.759 18.221 -6.964 1.00 15.30 H new ATOM 0 HA SER A 31 -4.829 18.845 -4.490 1.00 20.14 H new ATOM 0 HB2 SER A 31 -6.697 19.034 -6.782 1.00 15.13 H new ATOM 0 HB3 SER A 31 -6.116 20.289 -5.706 1.00 15.13 H new ATOM 0 HG SER A 31 -5.326 20.553 -7.872 1.00 35.43 H new ATOM 174 N VAL A 32 -7.166 17.668 -4.244 1.00 21.10 N ATOM 175 CA VAL A 32 -8.212 16.737 -3.837 1.00 5.34 C ATOM 176 C VAL A 32 -8.938 16.162 -5.047 1.00 4.34 C ATOM 177 O VAL A 32 -9.058 14.947 -5.193 1.00 0.24 O ATOM 178 CB VAL A 32 -9.238 17.418 -2.911 1.00 43.33 C ATOM 179 CG1 VAL A 32 -10.360 16.452 -2.558 1.00 72.24 C ATOM 180 CG2 VAL A 32 -8.557 17.939 -1.655 1.00 3.55 C ATOM 0 H VAL A 32 -7.252 18.601 -3.842 1.00 21.10 H new ATOM 0 HA VAL A 32 -7.723 15.928 -3.294 1.00 5.34 H new ATOM 0 HB VAL A 32 -9.673 18.266 -3.439 1.00 43.33 H new ATOM 0 HG11 VAL A 32 -11.076 16.949 -1.903 1.00 72.24 H new ATOM 0 HG12 VAL A 32 -10.864 16.131 -3.470 1.00 72.24 H new ATOM 0 HG13 VAL A 32 -9.945 15.583 -2.048 1.00 72.24 H new ATOM 0 HG21 VAL A 32 -9.296 18.417 -1.012 1.00 3.55 H new ATOM 0 HG22 VAL A 32 -8.094 17.109 -1.121 1.00 3.55 H new ATOM 0 HG23 VAL A 32 -7.792 18.665 -1.930 1.00 3.55 H new ATOM 190 N GLY A 33 -9.421 17.047 -5.916 1.00 71.41 N ATOM 191 CA GLY A 33 -10.130 16.609 -7.103 1.00 1.03 C ATOM 192 C GLY A 33 -9.309 15.656 -7.950 1.00 4.54 C ATOM 193 O GLY A 33 -9.706 14.513 -8.171 1.00 23.33 O ATOM 0 H GLY A 33 -9.333 18.058 -5.818 1.00 71.41 H new ATOM 0 HA2 GLY A 33 -11.059 16.120 -6.808 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -10.403 17.478 -7.701 1.00 1.03 H new ATOM 197 N GLU A 34 -8.162 16.129 -8.427 1.00 14.20 N ATOM 198 CA GLU A 34 -7.285 15.312 -9.257 1.00 2.12 C ATOM 199 C GLU A 34 -6.938 14.001 -8.556 1.00 53.45 C ATOM 200 O GLU A 34 -7.063 12.923 -9.136 1.00 72.43 O ATOM 201 CB GLU A 34 -6.003 16.077 -9.592 1.00 30.02 C ATOM 202 CG GLU A 34 -4.920 15.210 -10.211 1.00 30.44 C ATOM 203 CD GLU A 34 -5.352 14.588 -11.525 1.00 41.34 C ATOM 204 OE1 GLU A 34 -5.994 15.291 -12.333 1.00 3.31 O ATOM 205 OE2 GLU A 34 -5.047 13.397 -11.745 1.00 13.54 O ATOM 0 H GLU A 34 -7.819 17.074 -8.253 1.00 14.20 H new ATOM 0 HA GLU A 34 -7.814 15.082 -10.182 1.00 2.12 H new ATOM 0 HB2 GLU A 34 -6.243 16.889 -10.279 1.00 30.02 H new ATOM 0 HB3 GLU A 34 -5.615 16.534 -8.682 1.00 30.02 H new ATOM 0 HG2 GLU A 34 -4.027 15.813 -10.375 1.00 30.44 H new ATOM 0 HG3 GLU A 34 -4.648 14.420 -9.511 1.00 30.44 H new ATOM 212 N TRP A 35 -6.504 14.104 -7.305 1.00 34.44 N ATOM 213 CA TRP A 35 -6.138 12.927 -6.524 1.00 74.51 C ATOM 214 C TRP A 35 -7.256 11.890 -6.547 1.00 42.13 C ATOM 215 O TRP A 35 -7.035 10.731 -6.898 1.00 42.12 O ATOM 216 CB TRP A 35 -5.824 13.325 -5.081 1.00 72.25 C ATOM 217 CG TRP A 35 -5.625 12.150 -4.172 1.00 42.51 C ATOM 218 CD1 TRP A 35 -5.000 10.974 -4.476 1.00 34.01 C ATOM 219 CD2 TRP A 35 -6.054 12.038 -2.810 1.00 43.01 C ATOM 220 NE1 TRP A 35 -5.016 10.138 -3.386 1.00 22.00 N ATOM 221 CE2 TRP A 35 -5.656 10.768 -2.351 1.00 40.11 C ATOM 222 CE3 TRP A 35 -6.735 12.888 -1.934 1.00 34.34 C ATOM 223 CZ2 TRP A 35 -5.917 10.329 -1.056 1.00 54.43 C ATOM 224 CZ3 TRP A 35 -6.994 12.452 -0.650 1.00 62.41 C ATOM 225 CH2 TRP A 35 -6.586 11.182 -0.219 1.00 53.30 C ATOM 0 H TRP A 35 -6.397 14.989 -6.810 1.00 34.44 H new ATOM 0 HA TRP A 35 -5.249 12.485 -6.973 1.00 74.51 H new ATOM 0 HB2 TRP A 35 -4.925 13.941 -5.069 1.00 72.25 H new ATOM 0 HB3 TRP A 35 -6.637 13.940 -4.696 1.00 72.25 H new ATOM 0 HD1 TRP A 35 -4.558 10.736 -5.432 1.00 34.01 H new ATOM 0 HE1 TRP A 35 -4.616 9.200 -3.353 1.00 22.00 H new ATOM 0 HE3 TRP A 35 -7.053 13.869 -2.256 1.00 34.34 H new ATOM 0 HZ2 TRP A 35 -5.603 9.351 -0.723 1.00 54.43 H new ATOM 0 HZ3 TRP A 35 -7.520 13.101 0.035 1.00 62.41 H new ATOM 0 HH2 TRP A 35 -6.803 10.870 0.792 1.00 53.30 H new ATOM 236 N LEU A 36 -8.458 12.315 -6.171 1.00 32.21 N ATOM 237 CA LEU A 36 -9.612 11.423 -6.147 1.00 63.31 C ATOM 238 C LEU A 36 -9.980 10.973 -7.557 1.00 40.04 C ATOM 239 O LEU A 36 -10.503 9.876 -7.752 1.00 0.32 O ATOM 240 CB LEU A 36 -10.807 12.119 -5.494 1.00 64.11 C ATOM 241 CG LEU A 36 -10.604 12.587 -4.053 1.00 54.14 C ATOM 242 CD1 LEU A 36 -11.568 13.715 -3.718 1.00 32.45 C ATOM 243 CD2 LEU A 36 -10.781 11.427 -3.085 1.00 61.13 C ATOM 0 H LEU A 36 -8.658 13.271 -5.879 1.00 32.21 H new ATOM 0 HA LEU A 36 -9.348 10.543 -5.561 1.00 63.31 H new ATOM 0 HB2 LEU A 36 -11.075 12.983 -6.101 1.00 64.11 H new ATOM 0 HB3 LEU A 36 -11.657 11.437 -5.517 1.00 64.11 H new ATOM 0 HG LEU A 36 -9.586 12.964 -3.954 1.00 54.14 H new ATOM 0 HD11 LEU A 36 -11.409 14.036 -2.688 1.00 32.45 H new ATOM 0 HD12 LEU A 36 -11.393 14.555 -4.391 1.00 32.45 H new ATOM 0 HD13 LEU A 36 -12.593 13.364 -3.835 1.00 32.45 H new ATOM 0 HD21 LEU A 36 -10.633 11.779 -2.064 1.00 61.13 H new ATOM 0 HD22 LEU A 36 -11.787 11.019 -3.186 1.00 61.13 H new ATOM 0 HD23 LEU A 36 -10.050 10.650 -3.311 1.00 61.13 H new ATOM 255 N GLU A 37 -9.703 11.827 -8.538 1.00 14.23 N ATOM 256 CA GLU A 37 -10.004 11.515 -9.930 1.00 44.15 C ATOM 257 C GLU A 37 -9.156 10.345 -10.421 1.00 3.12 C ATOM 258 O GLU A 37 -9.571 9.593 -11.303 1.00 3.23 O ATOM 259 CB GLU A 37 -9.762 12.741 -10.814 1.00 0.32 C ATOM 260 CG GLU A 37 -11.024 13.280 -11.466 1.00 25.55 C ATOM 261 CD GLU A 37 -11.006 13.140 -12.976 1.00 54.15 C ATOM 262 OE1 GLU A 37 -9.956 13.429 -13.587 1.00 72.55 O ATOM 263 OE2 GLU A 37 -12.043 12.741 -13.546 1.00 22.41 O ATOM 0 H GLU A 37 -9.271 12.740 -8.394 1.00 14.23 H new ATOM 0 HA GLU A 37 -11.055 11.232 -9.993 1.00 44.15 H new ATOM 0 HB2 GLU A 37 -9.309 13.529 -10.212 1.00 0.32 H new ATOM 0 HB3 GLU A 37 -9.044 12.482 -11.592 1.00 0.32 H new ATOM 0 HG2 GLU A 37 -11.889 12.751 -11.066 1.00 25.55 H new ATOM 0 HG3 GLU A 37 -11.143 14.331 -11.204 1.00 25.55 H new ATOM 270 N SER A 38 -7.968 10.200 -9.845 1.00 41.52 N ATOM 271 CA SER A 38 -7.060 9.125 -10.227 1.00 43.50 C ATOM 272 C SER A 38 -7.574 7.777 -9.729 1.00 44.21 C ATOM 273 O SER A 38 -7.217 6.727 -10.265 1.00 32.52 O ATOM 274 CB SER A 38 -5.661 9.387 -9.666 1.00 63.23 C ATOM 275 OG SER A 38 -4.659 8.916 -10.552 1.00 32.02 O ATOM 0 H SER A 38 -7.611 10.813 -9.112 1.00 41.52 H new ATOM 0 HA SER A 38 -7.009 9.096 -11.315 1.00 43.50 H new ATOM 0 HB2 SER A 38 -5.528 10.456 -9.497 1.00 63.23 H new ATOM 0 HB3 SER A 38 -5.556 8.896 -8.699 1.00 63.23 H new ATOM 0 HG SER A 38 -3.774 9.097 -10.171 1.00 32.02 H new ATOM 281 N ILE A 39 -8.415 7.814 -8.701 1.00 24.35 N ATOM 282 CA ILE A 39 -8.980 6.597 -8.132 1.00 60.42 C ATOM 283 C ILE A 39 -10.445 6.435 -8.525 1.00 1.15 C ATOM 284 O ILE A 39 -11.021 5.358 -8.378 1.00 3.33 O ATOM 285 CB ILE A 39 -8.869 6.590 -6.596 1.00 4.50 C ATOM 286 CG1 ILE A 39 -9.703 7.724 -5.997 1.00 20.12 C ATOM 287 CG2 ILE A 39 -7.414 6.713 -6.169 1.00 42.04 C ATOM 288 CD1 ILE A 39 -9.784 7.683 -4.487 1.00 5.35 C ATOM 0 H ILE A 39 -8.720 8.674 -8.245 1.00 24.35 H new ATOM 0 HA ILE A 39 -8.404 5.764 -8.534 1.00 60.42 H new ATOM 0 HB ILE A 39 -9.258 5.642 -6.223 1.00 4.50 H new ATOM 0 HG12 ILE A 39 -9.276 8.679 -6.304 1.00 20.12 H new ATOM 0 HG13 ILE A 39 -10.711 7.679 -6.408 1.00 20.12 H new ATOM 0 HG21 ILE A 39 -7.352 6.707 -5.081 1.00 42.04 H new ATOM 0 HG22 ILE A 39 -6.845 5.874 -6.570 1.00 42.04 H new ATOM 0 HG23 ILE A 39 -7.001 7.647 -6.550 1.00 42.04 H new ATOM 0 HD11 ILE A 39 -10.391 8.516 -4.132 1.00 5.35 H new ATOM 0 HD12 ILE A 39 -10.239 6.744 -4.172 1.00 5.35 H new ATOM 0 HD13 ILE A 39 -8.781 7.760 -4.067 1.00 5.35 H new ATOM 300 N GLY A 40 -11.040 7.512 -9.027 1.00 71.22 N ATOM 301 CA GLY A 40 -12.432 7.467 -9.436 1.00 52.30 C ATOM 302 C GLY A 40 -13.377 7.853 -8.316 1.00 71.13 C ATOM 303 O GLY A 40 -14.557 7.499 -8.340 1.00 33.14 O ATOM 0 H GLY A 40 -10.584 8.415 -9.158 1.00 71.22 H new ATOM 0 HA2 GLY A 40 -12.581 8.139 -10.281 1.00 52.30 H new ATOM 0 HA3 GLY A 40 -12.674 6.462 -9.781 1.00 52.30 H new ATOM 307 N LEU A 41 -12.860 8.577 -7.330 1.00 43.40 N ATOM 308 CA LEU A 41 -13.666 9.010 -6.193 1.00 52.32 C ATOM 309 C LEU A 41 -13.829 10.526 -6.187 1.00 52.54 C ATOM 310 O LEU A 41 -14.247 11.111 -5.188 1.00 74.32 O ATOM 311 CB LEU A 41 -13.026 8.548 -4.884 1.00 71.33 C ATOM 312 CG LEU A 41 -13.992 8.208 -3.748 1.00 41.42 C ATOM 313 CD1 LEU A 41 -14.337 6.726 -3.768 1.00 31.25 C ATOM 314 CD2 LEU A 41 -13.394 8.600 -2.405 1.00 14.14 C ATOM 0 H LEU A 41 -11.886 8.877 -7.294 1.00 43.40 H new ATOM 0 HA LEU A 41 -14.654 8.558 -6.286 1.00 52.32 H new ATOM 0 HB2 LEU A 41 -12.417 7.668 -5.091 1.00 71.33 H new ATOM 0 HB3 LEU A 41 -12.350 9.330 -4.538 1.00 71.33 H new ATOM 0 HG LEU A 41 -14.910 8.777 -3.894 1.00 41.42 H new ATOM 0 HD11 LEU A 41 -15.025 6.502 -2.953 1.00 31.25 H new ATOM 0 HD12 LEU A 41 -14.806 6.475 -4.719 1.00 31.25 H new ATOM 0 HD13 LEU A 41 -13.427 6.139 -3.646 1.00 31.25 H new ATOM 0 HD21 LEU A 41 -14.095 8.351 -1.608 1.00 14.14 H new ATOM 0 HD22 LEU A 41 -12.461 8.058 -2.250 1.00 14.14 H new ATOM 0 HD23 LEU A 41 -13.197 9.672 -2.393 1.00 14.14 H new ATOM 326 N GLN A 42 -13.497 11.157 -7.310 1.00 45.22 N ATOM 327 CA GLN A 42 -13.608 12.605 -7.433 1.00 5.41 C ATOM 328 C GLN A 42 -15.033 13.068 -7.147 1.00 10.21 C ATOM 329 O GLN A 42 -15.248 14.184 -6.672 1.00 21.41 O ATOM 330 CB GLN A 42 -13.186 13.053 -8.833 1.00 41.24 C ATOM 331 CG GLN A 42 -12.714 14.496 -8.893 1.00 13.20 C ATOM 332 CD GLN A 42 -13.598 15.363 -9.768 1.00 4.11 C ATOM 333 OE1 GLN A 42 -14.052 16.429 -9.349 1.00 55.42 O ATOM 334 NE2 GLN A 42 -13.849 14.911 -10.990 1.00 33.04 N ATOM 0 H GLN A 42 -13.149 10.688 -8.146 1.00 45.22 H new ATOM 0 HA GLN A 42 -12.943 13.059 -6.698 1.00 5.41 H new ATOM 0 HB2 GLN A 42 -12.386 12.403 -9.188 1.00 41.24 H new ATOM 0 HB3 GLN A 42 -14.027 12.926 -9.515 1.00 41.24 H new ATOM 0 HG2 GLN A 42 -12.691 14.909 -7.884 1.00 13.20 H new ATOM 0 HG3 GLN A 42 -11.693 14.525 -9.273 1.00 13.20 H new ATOM 0 HE21 GLN A 42 -13.453 14.023 -11.297 1.00 33.04 H new ATOM 0 HE22 GLN A 42 -14.438 15.452 -11.623 1.00 33.04 H new ATOM 343 N GLN A 43 -16.000 12.205 -7.438 1.00 23.01 N ATOM 344 CA GLN A 43 -17.404 12.527 -7.213 1.00 42.31 C ATOM 345 C GLN A 43 -17.684 12.733 -5.727 1.00 31.15 C ATOM 346 O GLN A 43 -18.524 13.549 -5.351 1.00 2.15 O ATOM 347 CB GLN A 43 -18.299 11.416 -7.763 1.00 30.54 C ATOM 348 CG GLN A 43 -18.464 10.240 -6.813 1.00 13.14 C ATOM 349 CD GLN A 43 -17.180 9.455 -6.630 1.00 4.30 C ATOM 350 OE1 GLN A 43 -16.295 9.480 -7.487 1.00 75.43 O ATOM 351 NE2 GLN A 43 -17.071 8.752 -5.509 1.00 32.55 N ATOM 0 H GLN A 43 -15.837 11.278 -7.830 1.00 23.01 H new ATOM 0 HA GLN A 43 -17.626 13.456 -7.738 1.00 42.31 H new ATOM 0 HB2 GLN A 43 -19.282 11.831 -7.988 1.00 30.54 H new ATOM 0 HB3 GLN A 43 -17.881 11.057 -8.703 1.00 30.54 H new ATOM 0 HG2 GLN A 43 -18.804 10.605 -5.844 1.00 13.14 H new ATOM 0 HG3 GLN A 43 -19.240 9.576 -7.193 1.00 13.14 H new ATOM 0 HE21 GLN A 43 -17.829 8.760 -4.826 1.00 32.55 H new ATOM 0 HE22 GLN A 43 -16.229 8.204 -5.331 1.00 32.55 H new ATOM 360 N TYR A 44 -16.975 11.986 -4.888 1.00 53.33 N ATOM 361 CA TYR A 44 -17.148 12.084 -3.444 1.00 21.31 C ATOM 362 C TYR A 44 -16.253 13.173 -2.860 1.00 21.55 C ATOM 363 O TYR A 44 -16.153 13.322 -1.642 1.00 1.25 O ATOM 364 CB TYR A 44 -16.838 10.742 -2.780 1.00 62.50 C ATOM 365 CG TYR A 44 -18.037 10.103 -2.116 1.00 71.52 C ATOM 366 CD1 TYR A 44 -18.859 10.836 -1.269 1.00 40.54 C ATOM 367 CD2 TYR A 44 -18.346 8.766 -2.335 1.00 74.53 C ATOM 368 CE1 TYR A 44 -19.955 10.256 -0.660 1.00 14.14 C ATOM 369 CE2 TYR A 44 -19.441 8.178 -1.731 1.00 74.14 C ATOM 370 CZ TYR A 44 -20.243 8.927 -0.894 1.00 22.33 C ATOM 371 OH TYR A 44 -21.333 8.345 -0.290 1.00 21.24 O ATOM 0 H TYR A 44 -16.275 11.306 -5.183 1.00 53.33 H new ATOM 0 HA TYR A 44 -18.187 12.348 -3.245 1.00 21.31 H new ATOM 0 HB2 TYR A 44 -16.441 10.058 -3.530 1.00 62.50 H new ATOM 0 HB3 TYR A 44 -16.055 10.887 -2.035 1.00 62.50 H new ATOM 0 HD1 TYR A 44 -18.637 11.877 -1.084 1.00 40.54 H new ATOM 0 HD2 TYR A 44 -17.720 8.176 -2.988 1.00 74.53 H new ATOM 0 HE1 TYR A 44 -20.583 10.840 -0.004 1.00 14.14 H new ATOM 0 HE2 TYR A 44 -19.668 7.138 -1.913 1.00 74.14 H new ATOM 0 HH TYR A 44 -21.394 7.405 -0.561 1.00 21.24 H new ATOM 381 N GLU A 45 -15.605 13.932 -3.739 1.00 23.43 N ATOM 382 CA GLU A 45 -14.718 15.006 -3.311 1.00 45.35 C ATOM 383 C GLU A 45 -15.462 16.008 -2.432 1.00 61.44 C ATOM 384 O GLU A 45 -14.937 16.471 -1.419 1.00 44.32 O ATOM 385 CB GLU A 45 -14.123 15.721 -4.526 1.00 32.34 C ATOM 386 CG GLU A 45 -13.374 16.995 -4.176 1.00 42.53 C ATOM 387 CD GLU A 45 -14.069 18.240 -4.692 1.00 53.30 C ATOM 388 OE1 GLU A 45 -13.862 18.590 -5.874 1.00 31.32 O ATOM 389 OE2 GLU A 45 -14.820 18.865 -3.914 1.00 53.20 O ATOM 0 H GLU A 45 -15.678 13.822 -4.750 1.00 23.43 H new ATOM 0 HA GLU A 45 -13.911 14.565 -2.727 1.00 45.35 H new ATOM 0 HB2 GLU A 45 -13.445 15.041 -5.041 1.00 32.34 H new ATOM 0 HB3 GLU A 45 -14.925 15.961 -5.224 1.00 32.34 H new ATOM 0 HG2 GLU A 45 -13.269 17.064 -3.093 1.00 42.53 H new ATOM 0 HG3 GLU A 45 -12.368 16.946 -4.592 1.00 42.53 H new ATOM 396 N SER A 46 -16.686 16.339 -2.829 1.00 74.45 N ATOM 397 CA SER A 46 -17.502 17.289 -2.081 1.00 53.41 C ATOM 398 C SER A 46 -17.546 16.921 -0.602 1.00 2.32 C ATOM 399 O SER A 46 -17.481 17.788 0.270 1.00 40.42 O ATOM 400 CB SER A 46 -18.920 17.334 -2.650 1.00 21.35 C ATOM 401 OG SER A 46 -19.190 18.590 -3.251 1.00 71.21 O ATOM 0 H SER A 46 -17.135 15.964 -3.664 1.00 74.45 H new ATOM 0 HA SER A 46 -17.048 18.275 -2.178 1.00 53.41 H new ATOM 0 HB2 SER A 46 -19.045 16.541 -3.387 1.00 21.35 H new ATOM 0 HB3 SER A 46 -19.641 17.146 -1.854 1.00 21.35 H new ATOM 0 HG SER A 46 -20.102 18.592 -3.609 1.00 71.21 H new ATOM 407 N LYS A 47 -17.657 15.626 -0.324 1.00 52.31 N ATOM 408 CA LYS A 47 -17.709 15.138 1.049 1.00 32.00 C ATOM 409 C LYS A 47 -16.372 15.347 1.752 1.00 25.31 C ATOM 410 O LYS A 47 -16.325 15.626 2.950 1.00 3.24 O ATOM 411 CB LYS A 47 -18.084 13.655 1.072 1.00 45.22 C ATOM 412 CG LYS A 47 -19.568 13.405 1.280 1.00 41.21 C ATOM 413 CD LYS A 47 -20.395 13.977 0.139 1.00 40.34 C ATOM 414 CE LYS A 47 -21.883 13.929 0.451 1.00 24.10 C ATOM 415 NZ LYS A 47 -22.711 14.010 -0.783 1.00 44.25 N ATOM 0 H LYS A 47 -17.713 14.895 -1.033 1.00 52.31 H new ATOM 0 HA LYS A 47 -18.472 15.707 1.581 1.00 32.00 H new ATOM 0 HB2 LYS A 47 -17.775 13.196 0.133 1.00 45.22 H new ATOM 0 HB3 LYS A 47 -17.526 13.160 1.867 1.00 45.22 H new ATOM 0 HG2 LYS A 47 -19.750 12.333 1.361 1.00 41.21 H new ATOM 0 HG3 LYS A 47 -19.885 13.854 2.221 1.00 41.21 H new ATOM 0 HD2 LYS A 47 -20.094 15.008 -0.048 1.00 40.34 H new ATOM 0 HD3 LYS A 47 -20.195 13.416 -0.774 1.00 40.34 H new ATOM 0 HE2 LYS A 47 -22.113 13.006 0.983 1.00 24.10 H new ATOM 0 HE3 LYS A 47 -22.141 14.753 1.116 1.00 24.10 H new ATOM 0 HZ1 LYS A 47 -23.719 13.974 -0.528 1.00 44.25 H new ATOM 0 HZ2 LYS A 47 -22.511 14.903 -1.278 1.00 44.25 H new ATOM 0 HZ3 LYS A 47 -22.483 13.210 -1.407 1.00 44.25 H new ATOM 429 N LEU A 48 -15.286 15.211 0.999 1.00 0.24 N ATOM 430 CA LEU A 48 -13.946 15.386 1.549 1.00 61.20 C ATOM 431 C LEU A 48 -13.559 16.860 1.582 1.00 42.21 C ATOM 432 O LEU A 48 -12.504 17.225 2.102 1.00 23.30 O ATOM 433 CB LEU A 48 -12.928 14.598 0.724 1.00 13.43 C ATOM 434 CG LEU A 48 -11.670 14.143 1.465 1.00 44.52 C ATOM 435 CD1 LEU A 48 -11.185 12.808 0.922 1.00 2.33 C ATOM 436 CD2 LEU A 48 -10.577 15.195 1.356 1.00 4.51 C ATOM 0 H LEU A 48 -15.307 14.980 0.006 1.00 0.24 H new ATOM 0 HA LEU A 48 -13.947 15.007 2.571 1.00 61.20 H new ATOM 0 HB2 LEU A 48 -13.424 13.717 0.317 1.00 13.43 H new ATOM 0 HB3 LEU A 48 -12.624 15.212 -0.123 1.00 13.43 H new ATOM 0 HG LEU A 48 -11.918 14.015 2.519 1.00 44.52 H new ATOM 0 HD11 LEU A 48 -10.289 12.500 1.461 1.00 2.33 H new ATOM 0 HD12 LEU A 48 -11.964 12.057 1.054 1.00 2.33 H new ATOM 0 HD13 LEU A 48 -10.954 12.909 -0.138 1.00 2.33 H new ATOM 0 HD21 LEU A 48 -9.689 14.854 1.889 1.00 4.51 H new ATOM 0 HD22 LEU A 48 -10.330 15.356 0.307 1.00 4.51 H new ATOM 0 HD23 LEU A 48 -10.927 16.130 1.794 1.00 4.51 H new ATOM 448 N LEU A 49 -14.422 17.706 1.026 1.00 1.22 N ATOM 449 CA LEU A 49 -14.172 19.142 0.995 1.00 22.31 C ATOM 450 C LEU A 49 -15.047 19.870 2.010 1.00 21.04 C ATOM 451 O LEU A 49 -14.595 20.796 2.685 1.00 33.35 O ATOM 452 CB LEU A 49 -14.432 19.694 -0.408 1.00 14.24 C ATOM 453 CG LEU A 49 -14.344 21.213 -0.559 1.00 14.42 C ATOM 454 CD1 LEU A 49 -12.969 21.713 -0.144 1.00 13.31 C ATOM 455 CD2 LEU A 49 -14.654 21.625 -1.991 1.00 64.13 C ATOM 0 H LEU A 49 -15.300 17.421 0.591 1.00 1.22 H new ATOM 0 HA LEU A 49 -13.127 19.310 1.258 1.00 22.31 H new ATOM 0 HB2 LEU A 49 -13.717 19.239 -1.094 1.00 14.24 H new ATOM 0 HB3 LEU A 49 -15.425 19.375 -0.724 1.00 14.24 H new ATOM 0 HG LEU A 49 -15.086 21.668 0.098 1.00 14.42 H new ATOM 0 HD11 LEU A 49 -12.926 22.796 -0.258 1.00 13.31 H new ATOM 0 HD12 LEU A 49 -12.786 21.451 0.898 1.00 13.31 H new ATOM 0 HD13 LEU A 49 -12.209 21.251 -0.774 1.00 13.31 H new ATOM 0 HD21 LEU A 49 -14.587 22.709 -2.080 1.00 64.13 H new ATOM 0 HD22 LEU A 49 -13.936 21.160 -2.667 1.00 64.13 H new ATOM 0 HD23 LEU A 49 -15.661 21.301 -2.253 1.00 64.13 H new ATOM 467 N LEU A 50 -16.301 19.445 2.114 1.00 22.22 N ATOM 468 CA LEU A 50 -17.241 20.054 3.049 1.00 12.15 C ATOM 469 C LEU A 50 -16.822 19.789 4.492 1.00 64.21 C ATOM 470 O LEU A 50 -17.235 20.498 5.408 1.00 41.21 O ATOM 471 CB LEU A 50 -18.652 19.515 2.809 1.00 52.32 C ATOM 472 CG LEU A 50 -19.741 20.564 2.581 1.00 62.43 C ATOM 473 CD1 LEU A 50 -21.109 19.905 2.503 1.00 30.14 C ATOM 474 CD2 LEU A 50 -19.712 21.611 3.685 1.00 52.43 C ATOM 0 H LEU A 50 -16.691 18.681 1.562 1.00 22.22 H new ATOM 0 HA LEU A 50 -17.237 21.131 2.880 1.00 12.15 H new ATOM 0 HB2 LEU A 50 -18.625 18.854 1.942 1.00 52.32 H new ATOM 0 HB3 LEU A 50 -18.937 18.905 3.666 1.00 52.32 H new ATOM 0 HG LEU A 50 -19.547 21.062 1.631 1.00 62.43 H new ATOM 0 HD11 LEU A 50 -21.871 20.667 2.341 1.00 30.14 H new ATOM 0 HD12 LEU A 50 -21.124 19.195 1.676 1.00 30.14 H new ATOM 0 HD13 LEU A 50 -21.314 19.380 3.436 1.00 30.14 H new ATOM 0 HD21 LEU A 50 -20.494 22.350 3.507 1.00 52.43 H new ATOM 0 HD22 LEU A 50 -19.881 21.129 4.648 1.00 52.43 H new ATOM 0 HD23 LEU A 50 -18.741 22.105 3.692 1.00 52.43 H new ATOM 486 N ASN A 51 -15.996 18.765 4.685 1.00 73.41 N ATOM 487 CA ASN A 51 -15.520 18.408 6.016 1.00 22.20 C ATOM 488 C ASN A 51 -14.159 19.039 6.294 1.00 10.20 C ATOM 489 O ASN A 51 -13.419 18.584 7.165 1.00 2.33 O ATOM 490 CB ASN A 51 -15.428 16.886 6.156 1.00 60.44 C ATOM 491 CG ASN A 51 -16.705 16.278 6.701 1.00 52.20 C ATOM 492 OD1 ASN A 51 -16.735 15.770 7.822 1.00 50.43 O ATOM 493 ND2 ASN A 51 -17.768 16.324 5.907 1.00 53.10 N ATOM 0 H ASN A 51 -15.643 18.169 3.937 1.00 73.41 H new ATOM 0 HA ASN A 51 -16.234 18.791 6.745 1.00 22.20 H new ATOM 0 HB2 ASN A 51 -15.206 16.447 5.183 1.00 60.44 H new ATOM 0 HB3 ASN A 51 -14.598 16.634 6.816 1.00 60.44 H new ATOM 0 HD21 ASN A 51 -18.655 15.928 6.219 1.00 53.10 H new ATOM 0 HD22 ASN A 51 -17.698 16.755 4.985 1.00 53.10 H new ATOM 500 N GLY A 52 -13.838 20.091 5.548 1.00 21.34 N ATOM 501 CA GLY A 52 -12.567 20.768 5.730 1.00 23.12 C ATOM 502 C GLY A 52 -11.392 19.812 5.709 1.00 64.40 C ATOM 503 O GLY A 52 -10.357 20.075 6.321 1.00 20.35 O ATOM 0 H GLY A 52 -14.435 20.487 4.821 1.00 21.34 H new ATOM 0 HA2 GLY A 52 -12.440 21.512 4.944 1.00 23.12 H new ATOM 0 HA3 GLY A 52 -12.578 21.305 6.679 1.00 23.12 H new ATOM 507 N PHE A 53 -11.551 18.697 5.003 1.00 4.22 N ATOM 508 CA PHE A 53 -10.496 17.696 4.907 1.00 32.51 C ATOM 509 C PHE A 53 -9.773 17.793 3.567 1.00 13.43 C ATOM 510 O PHE A 53 -8.941 16.949 3.235 1.00 72.43 O ATOM 511 CB PHE A 53 -11.077 16.291 5.086 1.00 31.13 C ATOM 512 CG PHE A 53 -10.270 15.421 6.005 1.00 64.31 C ATOM 513 CD1 PHE A 53 -8.885 15.463 5.983 1.00 41.10 C ATOM 514 CD2 PHE A 53 -10.895 14.558 6.890 1.00 44.33 C ATOM 515 CE1 PHE A 53 -8.139 14.663 6.828 1.00 24.22 C ATOM 516 CE2 PHE A 53 -10.155 13.756 7.738 1.00 63.41 C ATOM 517 CZ PHE A 53 -8.775 13.808 7.706 1.00 3.33 C ATOM 0 H PHE A 53 -12.401 18.464 4.489 1.00 4.22 H new ATOM 0 HA PHE A 53 -9.776 17.887 5.703 1.00 32.51 H new ATOM 0 HB2 PHE A 53 -12.092 16.373 5.475 1.00 31.13 H new ATOM 0 HB3 PHE A 53 -11.147 15.809 4.111 1.00 31.13 H new ATOM 0 HD1 PHE A 53 -8.382 16.129 5.297 1.00 41.10 H new ATOM 0 HD2 PHE A 53 -11.974 14.511 6.918 1.00 44.33 H new ATOM 0 HE1 PHE A 53 -7.060 14.707 6.802 1.00 24.22 H new ATOM 0 HE2 PHE A 53 -10.655 13.089 8.425 1.00 63.41 H new ATOM 0 HZ PHE A 53 -8.195 13.181 8.367 1.00 3.33 H new ATOM 527 N ASP A 54 -10.100 18.828 2.799 1.00 43.25 N ATOM 528 CA ASP A 54 -9.484 19.037 1.495 1.00 25.30 C ATOM 529 C ASP A 54 -7.974 19.206 1.628 1.00 32.24 C ATOM 530 O ASP A 54 -7.232 19.033 0.661 1.00 35.14 O ATOM 531 CB ASP A 54 -10.089 20.265 0.813 1.00 54.31 C ATOM 532 CG ASP A 54 -9.396 21.552 1.217 1.00 72.24 C ATOM 533 OD1 ASP A 54 -9.437 21.895 2.417 1.00 75.13 O ATOM 534 OD2 ASP A 54 -8.814 22.216 0.333 1.00 65.04 O ATOM 0 H ASP A 54 -10.788 19.535 3.058 1.00 43.25 H new ATOM 0 HA ASP A 54 -9.680 18.157 0.883 1.00 25.30 H new ATOM 0 HB2 ASP A 54 -10.025 20.145 -0.268 1.00 54.31 H new ATOM 0 HB3 ASP A 54 -11.148 20.332 1.064 1.00 54.31 H new ATOM 539 N ASP A 55 -7.525 19.544 2.832 1.00 74.21 N ATOM 540 CA ASP A 55 -6.103 19.736 3.092 1.00 64.43 C ATOM 541 C ASP A 55 -5.296 18.533 2.615 1.00 73.45 C ATOM 542 O ASP A 55 -5.271 17.490 3.268 1.00 55.34 O ATOM 543 CB ASP A 55 -5.863 19.967 4.585 1.00 14.55 C ATOM 544 CG ASP A 55 -6.400 21.304 5.058 1.00 65.11 C ATOM 545 OD1 ASP A 55 -7.589 21.366 5.434 1.00 43.45 O ATOM 546 OD2 ASP A 55 -5.631 22.288 5.050 1.00 74.22 O ATOM 0 H ASP A 55 -8.125 19.691 3.643 1.00 74.21 H new ATOM 0 HA ASP A 55 -5.773 20.615 2.538 1.00 64.43 H new ATOM 0 HB2 ASP A 55 -6.336 19.167 5.154 1.00 14.55 H new ATOM 0 HB3 ASP A 55 -4.794 19.915 4.790 1.00 14.55 H new ATOM 551 N VAL A 56 -4.639 18.685 1.469 1.00 2.04 N ATOM 552 CA VAL A 56 -3.830 17.612 0.903 1.00 33.13 C ATOM 553 C VAL A 56 -2.570 17.377 1.730 1.00 42.44 C ATOM 554 O VAL A 56 -1.964 16.308 1.668 1.00 53.32 O ATOM 555 CB VAL A 56 -3.427 17.919 -0.551 1.00 31.43 C ATOM 556 CG1 VAL A 56 -2.559 16.803 -1.112 1.00 14.15 C ATOM 557 CG2 VAL A 56 -4.664 18.129 -1.413 1.00 54.40 C ATOM 0 H VAL A 56 -4.651 19.541 0.915 1.00 2.04 H new ATOM 0 HA VAL A 56 -4.444 16.712 0.919 1.00 33.13 H new ATOM 0 HB VAL A 56 -2.844 18.840 -0.562 1.00 31.43 H new ATOM 0 HG11 VAL A 56 -2.284 17.038 -2.140 1.00 14.15 H new ATOM 0 HG12 VAL A 56 -1.657 16.706 -0.508 1.00 14.15 H new ATOM 0 HG13 VAL A 56 -3.113 15.865 -1.090 1.00 14.15 H new ATOM 0 HG21 VAL A 56 -4.361 18.345 -2.438 1.00 54.40 H new ATOM 0 HG22 VAL A 56 -5.275 17.227 -1.398 1.00 54.40 H new ATOM 0 HG23 VAL A 56 -5.242 18.966 -1.022 1.00 54.40 H new ATOM 567 N HIS A 57 -2.182 18.386 2.504 1.00 51.41 N ATOM 568 CA HIS A 57 -0.994 18.291 3.345 1.00 40.15 C ATOM 569 C HIS A 57 -1.357 17.798 4.743 1.00 32.12 C ATOM 570 O HIS A 57 -0.569 17.929 5.682 1.00 2.24 O ATOM 571 CB HIS A 57 -0.296 19.647 3.435 1.00 5.31 C ATOM 572 CG HIS A 57 0.901 19.765 2.542 1.00 63.24 C ATOM 573 ND1 HIS A 57 2.002 20.534 2.857 1.00 24.20 N ATOM 574 CD2 HIS A 57 1.167 19.204 1.339 1.00 24.11 C ATOM 575 CE1 HIS A 57 2.892 20.442 1.885 1.00 23.40 C ATOM 576 NE2 HIS A 57 2.410 19.641 0.952 1.00 2.32 N ATOM 0 H HIS A 57 -2.673 19.278 2.566 1.00 51.41 H new ATOM 0 HA HIS A 57 -0.314 17.571 2.890 1.00 40.15 H new ATOM 0 HB2 HIS A 57 -1.009 20.431 3.179 1.00 5.31 H new ATOM 0 HB3 HIS A 57 0.012 19.820 4.466 1.00 5.31 H new ATOM 0 HD2 HIS A 57 0.522 18.537 0.787 1.00 24.11 H new ATOM 0 HE1 HIS A 57 3.851 20.938 1.858 1.00 23.40 H new ATOM 0 HE2 HIS A 57 2.884 19.388 0.085 1.00 2.32 H new ATOM 584 N PHE A 58 -2.551 17.233 4.875 1.00 2.54 N ATOM 585 CA PHE A 58 -3.019 16.723 6.159 1.00 32.34 C ATOM 586 C PHE A 58 -3.443 15.262 6.041 1.00 21.42 C ATOM 587 O PHE A 58 -3.843 14.639 7.027 1.00 1.22 O ATOM 588 CB PHE A 58 -4.188 17.566 6.672 1.00 44.13 C ATOM 589 CG PHE A 58 -3.954 18.148 8.037 1.00 63.33 C ATOM 590 CD1 PHE A 58 -2.799 18.864 8.310 1.00 41.43 C ATOM 591 CD2 PHE A 58 -4.888 17.980 9.046 1.00 34.41 C ATOM 592 CE1 PHE A 58 -2.581 19.400 9.565 1.00 24.23 C ATOM 593 CE2 PHE A 58 -4.675 18.514 10.303 1.00 33.51 C ATOM 594 CZ PHE A 58 -3.520 19.226 10.562 1.00 25.44 C ATOM 0 H PHE A 58 -3.214 17.116 4.108 1.00 2.54 H new ATOM 0 HA PHE A 58 -2.195 16.788 6.870 1.00 32.34 H new ATOM 0 HB2 PHE A 58 -4.378 18.376 5.968 1.00 44.13 H new ATOM 0 HB3 PHE A 58 -5.086 16.949 6.698 1.00 44.13 H new ATOM 0 HD1 PHE A 58 -2.062 19.005 7.534 1.00 41.43 H new ATOM 0 HD2 PHE A 58 -5.793 17.425 8.848 1.00 34.41 H new ATOM 0 HE1 PHE A 58 -1.676 19.955 9.766 1.00 24.23 H new ATOM 0 HE2 PHE A 58 -5.411 18.375 11.081 1.00 33.51 H new ATOM 0 HZ PHE A 58 -3.352 19.646 11.543 1.00 25.44 H new ATOM 604 N LEU A 59 -3.356 14.722 4.831 1.00 73.52 N ATOM 605 CA LEU A 59 -3.731 13.334 4.584 1.00 21.03 C ATOM 606 C LEU A 59 -2.829 12.379 5.360 1.00 4.40 C ATOM 607 O LEU A 59 -3.252 11.292 5.754 1.00 70.34 O ATOM 608 CB LEU A 59 -3.653 13.023 3.088 1.00 12.42 C ATOM 609 CG LEU A 59 -4.936 13.255 2.287 1.00 71.50 C ATOM 610 CD1 LEU A 59 -6.065 12.389 2.825 1.00 21.32 C ATOM 611 CD2 LEU A 59 -5.327 14.724 2.320 1.00 33.44 C ATOM 0 H LEU A 59 -3.029 15.224 4.005 1.00 73.52 H new ATOM 0 HA LEU A 59 -4.757 13.195 4.926 1.00 21.03 H new ATOM 0 HB2 LEU A 59 -2.861 13.631 2.651 1.00 12.42 H new ATOM 0 HB3 LEU A 59 -3.357 11.981 2.969 1.00 12.42 H new ATOM 0 HG LEU A 59 -4.751 12.972 1.251 1.00 71.50 H new ATOM 0 HD11 LEU A 59 -6.969 12.567 2.243 1.00 21.32 H new ATOM 0 HD12 LEU A 59 -5.786 11.338 2.748 1.00 21.32 H new ATOM 0 HD13 LEU A 59 -6.250 12.640 3.869 1.00 21.32 H new ATOM 0 HD21 LEU A 59 -6.242 14.870 1.745 1.00 33.44 H new ATOM 0 HD22 LEU A 59 -5.494 15.033 3.352 1.00 33.44 H new ATOM 0 HD23 LEU A 59 -4.526 15.323 1.887 1.00 33.44 H new ATOM 623 N GLY A 60 -1.585 12.794 5.578 1.00 54.22 N ATOM 624 CA GLY A 60 -0.645 11.964 6.309 1.00 72.21 C ATOM 625 C GLY A 60 -0.558 12.338 7.775 1.00 1.35 C ATOM 626 O GLY A 60 -0.059 11.565 8.591 1.00 11.54 O ATOM 0 H GLY A 60 -1.212 13.689 5.262 1.00 54.22 H new ATOM 0 HA2 GLY A 60 -0.943 10.919 6.221 1.00 72.21 H new ATOM 0 HA3 GLY A 60 0.342 12.053 5.856 1.00 72.21 H new ATOM 630 N SER A 61 -1.043 13.530 8.109 1.00 4.14 N ATOM 631 CA SER A 61 -1.014 14.008 9.487 1.00 1.23 C ATOM 632 C SER A 61 -2.291 13.619 10.224 1.00 33.14 C ATOM 633 O SER A 61 -2.245 12.971 11.268 1.00 43.52 O ATOM 634 CB SER A 61 -0.836 15.528 9.517 1.00 13.14 C ATOM 635 OG SER A 61 -0.123 15.934 10.673 1.00 63.22 O ATOM 0 H SER A 61 -1.460 14.182 7.445 1.00 4.14 H new ATOM 0 HA SER A 61 -0.168 13.540 9.991 1.00 1.23 H new ATOM 0 HB2 SER A 61 -0.302 15.853 8.624 1.00 13.14 H new ATOM 0 HB3 SER A 61 -1.812 16.012 9.499 1.00 13.14 H new ATOM 0 HG SER A 61 -0.021 16.909 10.669 1.00 63.22 H new ATOM 641 N ASN A 62 -3.431 14.022 9.672 1.00 31.22 N ATOM 642 CA ASN A 62 -4.723 13.716 10.278 1.00 31.45 C ATOM 643 C ASN A 62 -4.849 12.224 10.565 1.00 73.55 C ATOM 644 O ASN A 62 -4.207 11.398 9.916 1.00 54.32 O ATOM 645 CB ASN A 62 -5.859 14.169 9.359 1.00 13.43 C ATOM 646 CG ASN A 62 -6.983 14.845 10.120 1.00 23.14 C ATOM 647 OD1 ASN A 62 -7.015 16.069 10.241 1.00 61.15 O ATOM 648 ND2 ASN A 62 -7.912 14.048 10.636 1.00 20.24 N ATOM 0 H ASN A 62 -3.487 14.560 8.807 1.00 31.22 H new ATOM 0 HA ASN A 62 -4.791 14.256 11.223 1.00 31.45 H new ATOM 0 HB2 ASN A 62 -5.465 14.857 8.611 1.00 13.43 H new ATOM 0 HB3 ASN A 62 -6.254 13.307 8.822 1.00 13.43 H new ATOM 0 HD21 ASN A 62 -8.693 14.446 11.158 1.00 20.24 H new ATOM 0 HD22 ASN A 62 -7.845 13.038 10.510 1.00 20.24 H new ATOM 655 N VAL A 63 -5.682 11.883 11.544 1.00 25.41 N ATOM 656 CA VAL A 63 -5.895 10.490 11.918 1.00 4.52 C ATOM 657 C VAL A 63 -6.236 9.641 10.699 1.00 61.11 C ATOM 658 O VAL A 63 -5.701 8.547 10.522 1.00 32.03 O ATOM 659 CB VAL A 63 -7.022 10.353 12.957 1.00 61.31 C ATOM 660 CG1 VAL A 63 -8.278 11.069 12.481 1.00 74.22 C ATOM 661 CG2 VAL A 63 -7.310 8.887 13.242 1.00 12.02 C ATOM 0 H VAL A 63 -6.221 12.553 12.093 1.00 25.41 H new ATOM 0 HA VAL A 63 -4.963 10.134 12.357 1.00 4.52 H new ATOM 0 HB VAL A 63 -6.695 10.822 13.885 1.00 61.31 H new ATOM 0 HG11 VAL A 63 -9.064 10.961 13.229 1.00 74.22 H new ATOM 0 HG12 VAL A 63 -8.060 12.127 12.334 1.00 74.22 H new ATOM 0 HG13 VAL A 63 -8.611 10.633 11.539 1.00 74.22 H new ATOM 0 HG21 VAL A 63 -8.110 8.810 13.979 1.00 12.02 H new ATOM 0 HG22 VAL A 63 -7.616 8.391 12.321 1.00 12.02 H new ATOM 0 HG23 VAL A 63 -6.411 8.408 13.631 1.00 12.02 H new ATOM 671 N MET A 64 -7.132 10.152 9.859 1.00 61.20 N ATOM 672 CA MET A 64 -7.544 9.441 8.656 1.00 3.10 C ATOM 673 C MET A 64 -7.914 7.997 8.977 1.00 70.24 C ATOM 674 O MET A 64 -7.410 7.064 8.353 1.00 33.41 O ATOM 675 CB MET A 64 -6.427 9.472 7.611 1.00 12.44 C ATOM 676 CG MET A 64 -6.934 9.508 6.179 1.00 21.14 C ATOM 677 SD MET A 64 -7.562 11.130 5.704 1.00 63.40 S ATOM 678 CE MET A 64 -9.325 10.817 5.681 1.00 12.42 C ATOM 0 H MET A 64 -7.586 11.056 9.991 1.00 61.20 H new ATOM 0 HA MET A 64 -8.424 9.942 8.253 1.00 3.10 H new ATOM 0 HB2 MET A 64 -5.800 10.346 7.788 1.00 12.44 H new ATOM 0 HB3 MET A 64 -5.794 8.594 7.742 1.00 12.44 H new ATOM 0 HG2 MET A 64 -6.126 9.224 5.505 1.00 21.14 H new ATOM 0 HG3 MET A 64 -7.725 8.767 6.059 1.00 21.14 H new ATOM 0 HE1 MET A 64 -9.743 11.160 4.735 1.00 12.42 H new ATOM 0 HE2 MET A 64 -9.506 9.748 5.791 1.00 12.42 H new ATOM 0 HE3 MET A 64 -9.800 11.352 6.503 1.00 12.42 H new ATOM 688 N GLU A 65 -8.798 7.820 9.955 1.00 11.45 N ATOM 689 CA GLU A 65 -9.235 6.489 10.359 1.00 22.43 C ATOM 690 C GLU A 65 -10.522 6.096 9.640 1.00 24.51 C ATOM 691 O GLU A 65 -11.037 6.850 8.814 1.00 55.23 O ATOM 692 CB GLU A 65 -9.446 6.436 11.874 1.00 74.14 C ATOM 693 CG GLU A 65 -8.452 5.541 12.596 1.00 45.31 C ATOM 694 CD GLU A 65 -8.799 4.070 12.478 1.00 75.44 C ATOM 695 OE1 GLU A 65 -8.421 3.453 11.459 1.00 64.44 O ATOM 696 OE2 GLU A 65 -9.446 3.536 13.402 1.00 62.30 O ATOM 0 H GLU A 65 -9.225 8.582 10.482 1.00 11.45 H new ATOM 0 HA GLU A 65 -8.455 5.779 10.083 1.00 22.43 H new ATOM 0 HB2 GLU A 65 -9.373 7.446 12.278 1.00 74.14 H new ATOM 0 HB3 GLU A 65 -10.456 6.083 12.080 1.00 74.14 H new ATOM 0 HG2 GLU A 65 -7.455 5.709 12.189 1.00 45.31 H new ATOM 0 HG3 GLU A 65 -8.417 5.819 13.649 1.00 45.31 H new ATOM 703 N GLU A 66 -11.034 4.912 9.960 1.00 13.11 N ATOM 704 CA GLU A 66 -12.259 4.419 9.343 1.00 23.52 C ATOM 705 C GLU A 66 -13.426 5.363 9.620 1.00 74.04 C ATOM 706 O GLU A 66 -14.191 5.701 8.718 1.00 23.44 O ATOM 707 CB GLU A 66 -12.589 3.017 9.860 1.00 2.44 C ATOM 708 CG GLU A 66 -12.661 2.929 11.376 1.00 3.43 C ATOM 709 CD GLU A 66 -12.779 1.503 11.873 1.00 41.24 C ATOM 710 OE1 GLU A 66 -12.206 0.600 11.227 1.00 4.50 O ATOM 711 OE2 GLU A 66 -13.444 1.288 12.908 1.00 43.30 O ATOM 0 H GLU A 66 -10.620 4.277 10.642 1.00 13.11 H new ATOM 0 HA GLU A 66 -12.099 4.373 8.266 1.00 23.52 H new ATOM 0 HB2 GLU A 66 -13.543 2.699 9.440 1.00 2.44 H new ATOM 0 HB3 GLU A 66 -11.834 2.319 9.499 1.00 2.44 H new ATOM 0 HG2 GLU A 66 -11.770 3.387 11.805 1.00 3.43 H new ATOM 0 HG3 GLU A 66 -13.517 3.505 11.729 1.00 3.43 H new ATOM 718 N GLN A 67 -13.554 5.784 10.874 1.00 72.24 N ATOM 719 CA GLN A 67 -14.627 6.687 11.271 1.00 45.32 C ATOM 720 C GLN A 67 -14.490 8.036 10.572 1.00 64.44 C ATOM 721 O GLN A 67 -15.467 8.582 10.059 1.00 22.22 O ATOM 722 CB GLN A 67 -14.622 6.884 12.788 1.00 34.34 C ATOM 723 CG GLN A 67 -15.984 7.248 13.358 1.00 20.25 C ATOM 724 CD GLN A 67 -16.246 6.600 14.703 1.00 13.13 C ATOM 725 OE1 GLN A 67 -16.391 7.282 15.717 1.00 43.45 O ATOM 726 NE2 GLN A 67 -16.309 5.273 14.717 1.00 40.24 N ATOM 0 H GLN A 67 -12.928 5.514 11.632 1.00 72.24 H new ATOM 0 HA GLN A 67 -15.574 6.238 10.973 1.00 45.32 H new ATOM 0 HB2 GLN A 67 -14.271 5.968 13.264 1.00 34.34 H new ATOM 0 HB3 GLN A 67 -13.909 7.669 13.042 1.00 34.34 H new ATOM 0 HG2 GLN A 67 -16.053 8.331 13.461 1.00 20.25 H new ATOM 0 HG3 GLN A 67 -16.760 6.945 12.656 1.00 20.25 H new ATOM 0 HE21 GLN A 67 -16.183 4.747 13.852 1.00 40.24 H new ATOM 0 HE22 GLN A 67 -16.484 4.780 15.593 1.00 40.24 H new ATOM 735 N ASP A 68 -13.272 8.566 10.555 1.00 4.04 N ATOM 736 CA ASP A 68 -13.007 9.851 9.917 1.00 33.33 C ATOM 737 C ASP A 68 -13.556 9.875 8.494 1.00 4.50 C ATOM 738 O ASP A 68 -14.092 10.888 8.041 1.00 73.34 O ATOM 739 CB ASP A 68 -11.504 10.136 9.901 1.00 2.30 C ATOM 740 CG ASP A 68 -11.137 11.351 10.731 1.00 73.53 C ATOM 741 OD1 ASP A 68 -11.846 11.631 11.720 1.00 32.30 O ATOM 742 OD2 ASP A 68 -10.139 12.021 10.393 1.00 64.33 O ATOM 0 H ASP A 68 -12.453 8.126 10.975 1.00 4.04 H new ATOM 0 HA ASP A 68 -13.510 10.626 10.495 1.00 33.33 H new ATOM 0 HB2 ASP A 68 -10.968 9.266 10.279 1.00 2.30 H new ATOM 0 HB3 ASP A 68 -11.177 10.290 8.873 1.00 2.30 H new ATOM 747 N LEU A 69 -13.418 8.755 7.793 1.00 54.14 N ATOM 748 CA LEU A 69 -13.900 8.647 6.420 1.00 21.05 C ATOM 749 C LEU A 69 -15.420 8.543 6.383 1.00 72.33 C ATOM 750 O LEU A 69 -16.060 8.981 5.426 1.00 32.02 O ATOM 751 CB LEU A 69 -13.277 7.431 5.734 1.00 63.04 C ATOM 752 CG LEU A 69 -11.767 7.260 5.910 1.00 52.11 C ATOM 753 CD1 LEU A 69 -11.418 5.798 6.140 1.00 43.12 C ATOM 754 CD2 LEU A 69 -11.024 7.803 4.698 1.00 20.54 C ATOM 0 H LEU A 69 -12.976 7.909 8.153 1.00 54.14 H new ATOM 0 HA LEU A 69 -13.603 9.549 5.885 1.00 21.05 H new ATOM 0 HB2 LEU A 69 -13.770 6.535 6.110 1.00 63.04 H new ATOM 0 HB3 LEU A 69 -13.494 7.490 4.667 1.00 63.04 H new ATOM 0 HG LEU A 69 -11.456 7.828 6.787 1.00 52.11 H new ATOM 0 HD11 LEU A 69 -10.340 5.696 6.263 1.00 43.12 H new ATOM 0 HD12 LEU A 69 -11.921 5.441 7.039 1.00 43.12 H new ATOM 0 HD13 LEU A 69 -11.743 5.207 5.283 1.00 43.12 H new ATOM 0 HD21 LEU A 69 -9.951 7.673 4.841 1.00 20.54 H new ATOM 0 HD22 LEU A 69 -11.340 7.263 3.806 1.00 20.54 H new ATOM 0 HD23 LEU A 69 -11.248 8.863 4.579 1.00 20.54 H new ATOM 766 N ARG A 70 -15.995 7.964 7.433 1.00 23.24 N ATOM 767 CA ARG A 70 -17.441 7.804 7.521 1.00 72.12 C ATOM 768 C ARG A 70 -18.115 9.130 7.860 1.00 55.23 C ATOM 769 O ARG A 70 -19.185 9.445 7.339 1.00 53.31 O ATOM 770 CB ARG A 70 -17.795 6.754 8.576 1.00 3.23 C ATOM 771 CG ARG A 70 -19.266 6.370 8.582 1.00 42.20 C ATOM 772 CD ARG A 70 -19.448 4.867 8.728 1.00 62.45 C ATOM 773 NE ARG A 70 -20.643 4.391 8.035 1.00 4.14 N ATOM 774 CZ ARG A 70 -21.881 4.669 8.430 1.00 70.41 C ATOM 775 NH1 ARG A 70 -22.085 5.416 9.506 1.00 24.21 N ATOM 776 NH2 ARG A 70 -22.917 4.199 7.748 1.00 34.32 N ATOM 0 H ARG A 70 -15.481 7.598 8.234 1.00 23.24 H new ATOM 0 HA ARG A 70 -17.805 7.470 6.549 1.00 72.12 H new ATOM 0 HB2 ARG A 70 -17.195 5.860 8.403 1.00 3.23 H new ATOM 0 HB3 ARG A 70 -17.523 7.134 9.561 1.00 3.23 H new ATOM 0 HG2 ARG A 70 -19.773 6.880 9.401 1.00 42.20 H new ATOM 0 HG3 ARG A 70 -19.735 6.706 7.657 1.00 42.20 H new ATOM 0 HD2 ARG A 70 -18.571 4.355 8.332 1.00 62.45 H new ATOM 0 HD3 ARG A 70 -19.516 4.611 9.785 1.00 62.45 H new ATOM 0 HE ARG A 70 -20.520 3.814 7.203 1.00 4.14 H new ATOM 0 HH11 ARG A 70 -21.291 5.779 10.033 1.00 24.21 H new ATOM 0 HH12 ARG A 70 -23.036 5.628 9.807 1.00 24.21 H new ATOM 0 HH21 ARG A 70 -22.764 3.624 6.920 1.00 34.32 H new ATOM 0 HH22 ARG A 70 -23.867 4.413 8.052 1.00 34.32 H new ATOM 790 N ASP A 71 -17.483 9.902 8.737 1.00 53.33 N ATOM 791 CA ASP A 71 -18.022 11.193 9.146 1.00 60.01 C ATOM 792 C ASP A 71 -18.112 12.145 7.958 1.00 72.41 C ATOM 793 O ASP A 71 -19.057 12.927 7.847 1.00 71.35 O ATOM 794 CB ASP A 71 -17.151 11.809 10.243 1.00 14.22 C ATOM 795 CG ASP A 71 -17.678 13.149 10.718 1.00 62.44 C ATOM 796 OD1 ASP A 71 -18.835 13.199 11.183 1.00 31.13 O ATOM 797 OD2 ASP A 71 -16.932 14.146 10.625 1.00 72.31 O ATOM 0 H ASP A 71 -16.597 9.656 9.178 1.00 53.33 H new ATOM 0 HA ASP A 71 -19.027 11.032 9.537 1.00 60.01 H new ATOM 0 HB2 ASP A 71 -17.097 11.123 11.088 1.00 14.22 H new ATOM 0 HB3 ASP A 71 -16.135 11.934 9.869 1.00 14.22 H new ATOM 802 N ILE A 72 -17.124 12.075 7.073 1.00 1.12 N ATOM 803 CA ILE A 72 -17.093 12.930 5.894 1.00 75.31 C ATOM 804 C ILE A 72 -18.073 12.441 4.833 1.00 44.42 C ATOM 805 O ILE A 72 -18.488 13.199 3.959 1.00 12.52 O ATOM 806 CB ILE A 72 -15.681 12.992 5.280 1.00 24.03 C ATOM 807 CG1 ILE A 72 -15.215 11.592 4.876 1.00 55.23 C ATOM 808 CG2 ILE A 72 -14.704 13.619 6.264 1.00 63.04 C ATOM 809 CD1 ILE A 72 -14.090 11.599 3.865 1.00 0.34 C ATOM 0 H ILE A 72 -16.334 11.434 7.150 1.00 1.12 H new ATOM 0 HA ILE A 72 -17.383 13.928 6.222 1.00 75.31 H new ATOM 0 HB ILE A 72 -15.716 13.614 4.386 1.00 24.03 H new ATOM 0 HG12 ILE A 72 -14.889 11.055 5.767 1.00 55.23 H new ATOM 0 HG13 ILE A 72 -16.060 11.041 4.463 1.00 55.23 H new ATOM 0 HG21 ILE A 72 -13.711 13.656 5.817 1.00 63.04 H new ATOM 0 HG22 ILE A 72 -15.031 14.630 6.507 1.00 63.04 H new ATOM 0 HG23 ILE A 72 -14.670 13.020 7.174 1.00 63.04 H new ATOM 0 HD11 ILE A 72 -13.810 10.573 3.625 1.00 0.34 H new ATOM 0 HD12 ILE A 72 -14.419 12.107 2.959 1.00 0.34 H new ATOM 0 HD13 ILE A 72 -13.229 12.121 4.282 1.00 0.34 H new ATOM 821 N GLY A 73 -18.444 11.167 4.921 1.00 1.12 N ATOM 822 CA GLY A 73 -19.375 10.597 3.964 1.00 1.33 C ATOM 823 C GLY A 73 -18.956 9.218 3.497 1.00 11.10 C ATOM 824 O GLY A 73 -19.792 8.328 3.341 1.00 73.00 O ATOM 0 H GLY A 73 -18.116 10.520 5.638 1.00 1.12 H new ATOM 0 HA2 GLY A 73 -20.365 10.539 4.416 1.00 1.33 H new ATOM 0 HA3 GLY A 73 -19.456 11.260 3.102 1.00 1.33 H new ATOM 828 N ILE A 74 -17.659 9.040 3.272 1.00 51.04 N ATOM 829 CA ILE A 74 -17.131 7.759 2.819 1.00 31.22 C ATOM 830 C ILE A 74 -17.425 6.655 3.829 1.00 75.21 C ATOM 831 O ILE A 74 -16.700 6.487 4.810 1.00 30.33 O ATOM 832 CB ILE A 74 -15.612 7.829 2.580 1.00 44.54 C ATOM 833 CG1 ILE A 74 -15.276 8.973 1.620 1.00 61.11 C ATOM 834 CG2 ILE A 74 -15.100 6.504 2.032 1.00 22.03 C ATOM 835 CD1 ILE A 74 -13.792 9.234 1.487 1.00 70.13 C ATOM 0 H ILE A 74 -16.954 9.767 3.396 1.00 51.04 H new ATOM 0 HA ILE A 74 -17.628 7.528 1.877 1.00 31.22 H new ATOM 0 HB ILE A 74 -15.118 8.022 3.533 1.00 44.54 H new ATOM 0 HG12 ILE A 74 -15.686 8.743 0.636 1.00 61.11 H new ATOM 0 HG13 ILE A 74 -15.767 9.883 1.966 1.00 61.11 H new ATOM 0 HG21 ILE A 74 -14.024 6.569 1.868 1.00 22.03 H new ATOM 0 HG22 ILE A 74 -15.311 5.709 2.747 1.00 22.03 H new ATOM 0 HG23 ILE A 74 -15.598 6.284 1.088 1.00 22.03 H new ATOM 0 HD11 ILE A 74 -13.628 10.057 0.791 1.00 70.13 H new ATOM 0 HD12 ILE A 74 -13.380 9.495 2.462 1.00 70.13 H new ATOM 0 HD13 ILE A 74 -13.297 8.338 1.112 1.00 70.13 H new ATOM 847 N SER A 75 -18.494 5.903 3.582 1.00 25.45 N ATOM 848 CA SER A 75 -18.885 4.816 4.471 1.00 13.40 C ATOM 849 C SER A 75 -18.740 3.466 3.775 1.00 74.40 C ATOM 850 O SER A 75 -19.097 2.428 4.331 1.00 20.24 O ATOM 851 CB SER A 75 -20.328 5.008 4.941 1.00 21.25 C ATOM 852 OG SER A 75 -21.135 5.544 3.906 1.00 33.10 O ATOM 0 H SER A 75 -19.104 6.027 2.774 1.00 25.45 H new ATOM 0 HA SER A 75 -18.223 4.831 5.337 1.00 13.40 H new ATOM 0 HB2 SER A 75 -20.738 4.052 5.268 1.00 21.25 H new ATOM 0 HB3 SER A 75 -20.347 5.674 5.803 1.00 21.25 H new ATOM 0 HG SER A 75 -22.053 5.656 4.231 1.00 33.10 H new ATOM 858 N ASP A 76 -18.215 3.490 2.555 1.00 53.52 N ATOM 859 CA ASP A 76 -18.021 2.270 1.782 1.00 32.34 C ATOM 860 C ASP A 76 -16.654 1.655 2.069 1.00 34.05 C ATOM 861 O ASP A 76 -15.694 2.347 2.408 1.00 20.20 O ATOM 862 CB ASP A 76 -18.159 2.559 0.287 1.00 33.23 C ATOM 863 CG ASP A 76 -19.495 2.109 -0.270 1.00 62.33 C ATOM 864 OD1 ASP A 76 -20.011 1.069 0.193 1.00 10.22 O ATOM 865 OD2 ASP A 76 -20.027 2.796 -1.167 1.00 35.40 O ATOM 0 H ASP A 76 -17.916 4.342 2.080 1.00 53.52 H new ATOM 0 HA ASP A 76 -18.790 1.557 2.079 1.00 32.34 H new ATOM 0 HB2 ASP A 76 -18.039 3.628 0.114 1.00 33.23 H new ATOM 0 HB3 ASP A 76 -17.356 2.057 -0.253 1.00 33.23 H new ATOM 870 N PRO A 77 -16.563 0.324 1.932 1.00 11.41 N ATOM 871 CA PRO A 77 -15.319 -0.412 2.173 1.00 74.34 C ATOM 872 C PRO A 77 -14.263 -0.132 1.107 1.00 3.05 C ATOM 873 O PRO A 77 -13.098 0.103 1.424 1.00 54.31 O ATOM 874 CB PRO A 77 -15.757 -1.878 2.117 1.00 62.34 C ATOM 875 CG PRO A 77 -16.979 -1.875 1.265 1.00 3.44 C ATOM 876 CD PRO A 77 -17.667 -0.564 1.531 1.00 12.32 C ATOM 0 HA PRO A 77 -14.854 -0.127 3.117 1.00 74.34 H new ATOM 0 HB2 PRO A 77 -14.977 -2.508 1.689 1.00 62.34 H new ATOM 0 HB3 PRO A 77 -15.970 -2.266 3.113 1.00 62.34 H new ATOM 0 HG2 PRO A 77 -16.720 -1.973 0.211 1.00 3.44 H new ATOM 0 HG3 PRO A 77 -17.629 -2.714 1.512 1.00 3.44 H new ATOM 0 HD2 PRO A 77 -18.180 -0.192 0.644 1.00 12.32 H new ATOM 0 HD3 PRO A 77 -18.416 -0.655 2.318 1.00 12.32 H new ATOM 884 N GLN A 78 -14.680 -0.159 -0.154 1.00 22.03 N ATOM 885 CA GLN A 78 -13.771 0.093 -1.265 1.00 20.20 C ATOM 886 C GLN A 78 -13.427 1.577 -1.362 1.00 31.22 C ATOM 887 O GLN A 78 -12.550 1.972 -2.130 1.00 34.23 O ATOM 888 CB GLN A 78 -14.390 -0.385 -2.579 1.00 23.11 C ATOM 889 CG GLN A 78 -15.773 0.188 -2.843 1.00 52.33 C ATOM 890 CD GLN A 78 -16.838 -0.886 -2.960 1.00 11.41 C ATOM 891 OE1 GLN A 78 -17.872 -0.826 -2.295 1.00 41.05 O ATOM 892 NE2 GLN A 78 -16.589 -1.876 -3.810 1.00 41.45 N ATOM 0 H GLN A 78 -15.642 -0.353 -0.432 1.00 22.03 H new ATOM 0 HA GLN A 78 -12.852 -0.464 -1.081 1.00 20.20 H new ATOM 0 HB2 GLN A 78 -13.730 -0.113 -3.402 1.00 23.11 H new ATOM 0 HB3 GLN A 78 -14.453 -1.473 -2.567 1.00 23.11 H new ATOM 0 HG2 GLN A 78 -16.039 0.871 -2.037 1.00 52.33 H new ATOM 0 HG3 GLN A 78 -15.750 0.773 -3.762 1.00 52.33 H new ATOM 0 HE21 GLN A 78 -15.718 -1.885 -4.341 1.00 41.45 H new ATOM 0 HE22 GLN A 78 -17.269 -2.627 -3.932 1.00 41.45 H new ATOM 901 N HIS A 79 -14.125 2.393 -0.578 1.00 40.31 N ATOM 902 CA HIS A 79 -13.892 3.833 -0.576 1.00 53.12 C ATOM 903 C HIS A 79 -13.143 4.260 0.682 1.00 14.42 C ATOM 904 O HIS A 79 -12.560 5.344 0.732 1.00 71.44 O ATOM 905 CB HIS A 79 -15.220 4.585 -0.673 1.00 4.55 C ATOM 906 CG HIS A 79 -15.946 4.354 -1.962 1.00 33.05 C ATOM 907 ND1 HIS A 79 -17.110 5.013 -2.299 1.00 23.33 N ATOM 908 CD2 HIS A 79 -15.667 3.533 -3.002 1.00 44.31 C ATOM 909 CE1 HIS A 79 -17.516 4.606 -3.488 1.00 34.04 C ATOM 910 NE2 HIS A 79 -16.656 3.707 -3.936 1.00 70.41 N ATOM 0 H HIS A 79 -14.855 2.082 0.063 1.00 40.31 H new ATOM 0 HA HIS A 79 -13.279 4.079 -1.443 1.00 53.12 H new ATOM 0 HB2 HIS A 79 -15.861 4.282 0.155 1.00 4.55 H new ATOM 0 HB3 HIS A 79 -15.033 5.653 -0.557 1.00 4.55 H new ATOM 0 HD2 HIS A 79 -14.822 2.865 -3.081 1.00 44.31 H new ATOM 0 HE1 HIS A 79 -18.400 4.949 -4.006 1.00 34.04 H new ATOM 0 HE2 HIS A 79 -16.718 3.222 -4.831 1.00 70.41 H new ATOM 918 N ARG A 80 -13.164 3.403 1.698 1.00 4.22 N ATOM 919 CA ARG A 80 -12.489 3.694 2.957 1.00 30.13 C ATOM 920 C ARG A 80 -11.045 3.202 2.925 1.00 13.34 C ATOM 921 O ARG A 80 -10.130 3.902 3.360 1.00 23.11 O ATOM 922 CB ARG A 80 -13.235 3.043 4.123 1.00 5.54 C ATOM 923 CG ARG A 80 -14.068 4.021 4.935 1.00 32.10 C ATOM 924 CD ARG A 80 -14.259 3.538 6.365 1.00 61.34 C ATOM 925 NE ARG A 80 -14.716 2.151 6.418 1.00 63.42 N ATOM 926 CZ ARG A 80 -15.985 1.791 6.268 1.00 71.04 C ATOM 927 NH1 ARG A 80 -16.918 2.708 6.056 1.00 64.32 N ATOM 928 NH2 ARG A 80 -16.323 0.508 6.329 1.00 51.11 N ATOM 0 H ARG A 80 -13.641 2.502 1.674 1.00 4.22 H new ATOM 0 HA ARG A 80 -12.484 4.775 3.097 1.00 30.13 H new ATOM 0 HB2 ARG A 80 -13.886 2.260 3.735 1.00 5.54 H new ATOM 0 HB3 ARG A 80 -12.513 2.560 4.781 1.00 5.54 H new ATOM 0 HG2 ARG A 80 -13.582 4.997 4.941 1.00 32.10 H new ATOM 0 HG3 ARG A 80 -15.041 4.153 4.461 1.00 32.10 H new ATOM 0 HD2 ARG A 80 -13.318 3.631 6.908 1.00 61.34 H new ATOM 0 HD3 ARG A 80 -14.983 4.178 6.870 1.00 61.34 H new ATOM 0 HE ARG A 80 -14.023 1.420 6.579 1.00 63.42 H new ATOM 0 HH11 ARG A 80 -16.662 3.694 6.008 1.00 64.32 H new ATOM 0 HH12 ARG A 80 -17.892 2.428 5.941 1.00 64.32 H new ATOM 0 HH21 ARG A 80 -15.608 -0.201 6.491 1.00 51.11 H new ATOM 0 HH22 ARG A 80 -17.298 0.231 6.214 1.00 51.11 H new ATOM 942 N ARG A 81 -10.849 1.993 2.409 1.00 52.33 N ATOM 943 CA ARG A 81 -9.516 1.407 2.322 1.00 13.14 C ATOM 944 C ARG A 81 -8.689 2.096 1.241 1.00 31.35 C ATOM 945 O ARG A 81 -7.469 2.216 1.359 1.00 21.33 O ATOM 946 CB ARG A 81 -9.614 -0.091 2.027 1.00 64.45 C ATOM 947 CG ARG A 81 -9.524 -0.963 3.268 1.00 51.20 C ATOM 948 CD ARG A 81 -8.114 -1.492 3.478 1.00 20.30 C ATOM 949 NE ARG A 81 -8.111 -2.789 4.150 1.00 44.34 N ATOM 950 CZ ARG A 81 -7.037 -3.564 4.244 1.00 62.31 C ATOM 951 NH1 ARG A 81 -5.886 -3.176 3.711 1.00 63.52 N ATOM 952 NH2 ARG A 81 -7.112 -4.732 4.871 1.00 72.44 N ATOM 0 H ARG A 81 -11.595 1.400 2.045 1.00 52.33 H new ATOM 0 HA ARG A 81 -9.019 1.550 3.282 1.00 13.14 H new ATOM 0 HB2 ARG A 81 -10.558 -0.292 1.520 1.00 64.45 H new ATOM 0 HB3 ARG A 81 -8.816 -0.370 1.339 1.00 64.45 H new ATOM 0 HG2 ARG A 81 -9.831 -0.387 4.141 1.00 51.20 H new ATOM 0 HG3 ARG A 81 -10.217 -1.799 3.177 1.00 51.20 H new ATOM 0 HD2 ARG A 81 -7.613 -1.582 2.514 1.00 20.30 H new ATOM 0 HD3 ARG A 81 -7.542 -0.776 4.069 1.00 20.30 H new ATOM 0 HE ARG A 81 -8.981 -3.117 4.570 1.00 44.34 H new ATOM 0 HH11 ARG A 81 -5.824 -2.280 3.227 1.00 63.52 H new ATOM 0 HH12 ARG A 81 -5.063 -3.774 3.785 1.00 63.52 H new ATOM 0 HH21 ARG A 81 -7.995 -5.035 5.281 1.00 72.44 H new ATOM 0 HH22 ARG A 81 -6.286 -5.326 4.942 1.00 72.44 H new ATOM 966 N LYS A 82 -9.359 2.549 0.188 1.00 13.53 N ATOM 967 CA LYS A 82 -8.687 3.227 -0.915 1.00 64.41 C ATOM 968 C LYS A 82 -8.192 4.604 -0.484 1.00 20.04 C ATOM 969 O LYS A 82 -7.053 4.981 -0.766 1.00 33.00 O ATOM 970 CB LYS A 82 -9.633 3.364 -2.110 1.00 4.21 C ATOM 971 CG LYS A 82 -8.928 3.312 -3.453 1.00 41.51 C ATOM 972 CD LYS A 82 -9.890 2.960 -4.575 1.00 45.43 C ATOM 973 CE LYS A 82 -9.788 1.492 -4.958 1.00 33.41 C ATOM 974 NZ LYS A 82 -9.389 1.316 -6.383 1.00 53.50 N ATOM 0 H LYS A 82 -10.369 2.459 0.074 1.00 13.53 H new ATOM 0 HA LYS A 82 -7.827 2.626 -1.209 1.00 64.41 H new ATOM 0 HB2 LYS A 82 -10.376 2.567 -2.068 1.00 4.21 H new ATOM 0 HB3 LYS A 82 -10.173 4.307 -2.029 1.00 4.21 H new ATOM 0 HG2 LYS A 82 -8.465 4.277 -3.659 1.00 41.51 H new ATOM 0 HG3 LYS A 82 -8.126 2.575 -3.416 1.00 41.51 H new ATOM 0 HD2 LYS A 82 -10.910 3.186 -4.265 1.00 45.43 H new ATOM 0 HD3 LYS A 82 -9.677 3.580 -5.446 1.00 45.43 H new ATOM 0 HE2 LYS A 82 -9.060 0.998 -4.314 1.00 33.41 H new ATOM 0 HE3 LYS A 82 -10.748 1.005 -4.787 1.00 33.41 H new ATOM 0 HZ1 LYS A 82 -9.331 0.302 -6.604 1.00 53.50 H new ATOM 0 HZ2 LYS A 82 -10.096 1.765 -6.999 1.00 53.50 H new ATOM 0 HZ3 LYS A 82 -8.461 1.759 -6.541 1.00 53.50 H new ATOM 988 N LEU A 83 -9.052 5.351 0.199 1.00 25.51 N ATOM 989 CA LEU A 83 -8.701 6.685 0.669 1.00 70.13 C ATOM 990 C LEU A 83 -7.635 6.617 1.758 1.00 75.12 C ATOM 991 O LEU A 83 -6.912 7.585 1.995 1.00 34.51 O ATOM 992 CB LEU A 83 -9.944 7.403 1.202 1.00 44.33 C ATOM 993 CG LEU A 83 -10.021 8.905 0.925 1.00 35.54 C ATOM 994 CD1 LEU A 83 -11.052 9.197 -0.154 1.00 35.52 C ATOM 995 CD2 LEU A 83 -10.350 9.666 2.201 1.00 61.21 C ATOM 0 H LEU A 83 -9.998 5.055 0.440 1.00 25.51 H new ATOM 0 HA LEU A 83 -8.297 7.245 -0.174 1.00 70.13 H new ATOM 0 HB2 LEU A 83 -10.826 6.929 0.771 1.00 44.33 H new ATOM 0 HB3 LEU A 83 -9.994 7.249 2.280 1.00 44.33 H new ATOM 0 HG LEU A 83 -9.047 9.240 0.567 1.00 35.54 H new ATOM 0 HD11 LEU A 83 -11.093 10.271 -0.337 1.00 35.52 H new ATOM 0 HD12 LEU A 83 -10.772 8.682 -1.073 1.00 35.52 H new ATOM 0 HD13 LEU A 83 -12.031 8.848 0.174 1.00 35.52 H new ATOM 0 HD21 LEU A 83 -10.401 10.733 1.985 1.00 61.21 H new ATOM 0 HD22 LEU A 83 -11.311 9.328 2.589 1.00 61.21 H new ATOM 0 HD23 LEU A 83 -9.574 9.483 2.944 1.00 61.21 H new ATOM 1007 N LEU A 84 -7.541 5.466 2.415 1.00 52.43 N ATOM 1008 CA LEU A 84 -6.561 5.269 3.477 1.00 3.44 C ATOM 1009 C LEU A 84 -5.233 4.778 2.909 1.00 72.44 C ATOM 1010 O LEU A 84 -4.172 5.028 3.480 1.00 40.35 O ATOM 1011 CB LEU A 84 -7.090 4.270 4.507 1.00 62.31 C ATOM 1012 CG LEU A 84 -7.492 4.852 5.862 1.00 2.22 C ATOM 1013 CD1 LEU A 84 -8.298 6.128 5.677 1.00 61.53 C ATOM 1014 CD2 LEU A 84 -8.283 3.831 6.668 1.00 42.04 C ATOM 0 H LEU A 84 -8.132 4.655 2.231 1.00 52.43 H new ATOM 0 HA LEU A 84 -6.393 6.229 3.965 1.00 3.44 H new ATOM 0 HB2 LEU A 84 -7.956 3.763 4.081 1.00 62.31 H new ATOM 0 HB3 LEU A 84 -6.326 3.511 4.673 1.00 62.31 H new ATOM 0 HG LEU A 84 -6.585 5.097 6.414 1.00 2.22 H new ATOM 0 HD11 LEU A 84 -8.575 6.528 6.652 1.00 61.53 H new ATOM 0 HD12 LEU A 84 -7.698 6.863 5.141 1.00 61.53 H new ATOM 0 HD13 LEU A 84 -9.200 5.909 5.105 1.00 61.53 H new ATOM 0 HD21 LEU A 84 -8.561 4.263 7.630 1.00 42.04 H new ATOM 0 HD22 LEU A 84 -9.184 3.554 6.121 1.00 42.04 H new ATOM 0 HD23 LEU A 84 -7.671 2.944 6.832 1.00 42.04 H new ATOM 1026 N GLN A 85 -5.302 4.079 1.780 1.00 74.24 N ATOM 1027 CA GLN A 85 -4.104 3.553 1.135 1.00 44.01 C ATOM 1028 C GLN A 85 -3.412 4.633 0.310 1.00 32.52 C ATOM 1029 O GLN A 85 -2.185 4.732 0.303 1.00 55.32 O ATOM 1030 CB GLN A 85 -4.461 2.364 0.242 1.00 61.43 C ATOM 1031 CG GLN A 85 -3.338 1.349 0.101 1.00 71.24 C ATOM 1032 CD GLN A 85 -3.680 0.009 0.721 1.00 43.33 C ATOM 1033 OE1 GLN A 85 -3.574 -0.172 1.935 1.00 34.44 O ATOM 1034 NE2 GLN A 85 -4.094 -0.940 -0.110 1.00 23.34 N ATOM 0 H GLN A 85 -6.173 3.864 1.294 1.00 74.24 H new ATOM 0 HA GLN A 85 -3.418 3.221 1.914 1.00 44.01 H new ATOM 0 HB2 GLN A 85 -5.341 1.866 0.649 1.00 61.43 H new ATOM 0 HB3 GLN A 85 -4.733 2.732 -0.747 1.00 61.43 H new ATOM 0 HG2 GLN A 85 -3.111 1.209 -0.956 1.00 71.24 H new ATOM 0 HG3 GLN A 85 -2.437 1.743 0.571 1.00 71.24 H new ATOM 0 HE21 GLN A 85 -4.167 -0.747 -1.109 1.00 23.34 H new ATOM 0 HE22 GLN A 85 -4.339 -1.862 0.250 1.00 23.34 H new ATOM 1043 N ALA A 86 -4.207 5.440 -0.385 1.00 13.42 N ATOM 1044 CA ALA A 86 -3.670 6.514 -1.212 1.00 23.11 C ATOM 1045 C ALA A 86 -3.239 7.702 -0.358 1.00 41.35 C ATOM 1046 O ALA A 86 -2.472 8.554 -0.805 1.00 54.52 O ATOM 1047 CB ALA A 86 -4.700 6.950 -2.244 1.00 11.45 C ATOM 0 H ALA A 86 -5.225 5.371 -0.392 1.00 13.42 H new ATOM 0 HA ALA A 86 -2.790 6.134 -1.730 1.00 23.11 H new ATOM 0 HB1 ALA A 86 -4.286 7.752 -2.855 1.00 11.45 H new ATOM 0 HB2 ALA A 86 -4.957 6.104 -2.882 1.00 11.45 H new ATOM 0 HB3 ALA A 86 -5.596 7.306 -1.736 1.00 11.45 H new ATOM 1053 N ALA A 87 -3.738 7.752 0.873 1.00 50.32 N ATOM 1054 CA ALA A 87 -3.404 8.835 1.789 1.00 1.44 C ATOM 1055 C ALA A 87 -2.109 8.539 2.539 1.00 72.32 C ATOM 1056 O ALA A 87 -1.281 9.427 2.741 1.00 20.43 O ATOM 1057 CB ALA A 87 -4.544 9.066 2.772 1.00 23.42 C ATOM 0 H ALA A 87 -4.375 7.055 1.258 1.00 50.32 H new ATOM 0 HA ALA A 87 -3.255 9.741 1.202 1.00 1.44 H new ATOM 0 HB1 ALA A 87 -4.281 9.878 3.450 1.00 23.42 H new ATOM 0 HB2 ALA A 87 -5.449 9.330 2.224 1.00 23.42 H new ATOM 0 HB3 ALA A 87 -4.719 8.156 3.346 1.00 23.42 H new ATOM 1063 N ARG A 88 -1.941 7.286 2.950 1.00 40.04 N ATOM 1064 CA ARG A 88 -0.747 6.874 3.679 1.00 15.24 C ATOM 1065 C ARG A 88 0.439 6.716 2.733 1.00 1.23 C ATOM 1066 O ARG A 88 1.594 6.785 3.152 1.00 31.43 O ATOM 1067 CB ARG A 88 -1.004 5.560 4.418 1.00 34.33 C ATOM 1068 CG ARG A 88 -1.042 4.345 3.504 1.00 20.20 C ATOM 1069 CD ARG A 88 -1.784 3.186 4.151 1.00 33.11 C ATOM 1070 NE ARG A 88 -0.991 2.543 5.196 1.00 14.11 N ATOM 1071 CZ ARG A 88 -0.010 1.682 4.949 1.00 23.21 C ATOM 1072 NH1 ARG A 88 0.297 1.362 3.700 1.00 42.15 N ATOM 1073 NH2 ARG A 88 0.666 1.139 5.954 1.00 35.20 N ATOM 0 H ARG A 88 -2.617 6.539 2.791 1.00 40.04 H new ATOM 0 HA ARG A 88 -0.508 7.650 4.406 1.00 15.24 H new ATOM 0 HB2 ARG A 88 -0.226 5.416 5.168 1.00 34.33 H new ATOM 0 HB3 ARG A 88 -1.951 5.632 4.952 1.00 34.33 H new ATOM 0 HG2 ARG A 88 -1.527 4.610 2.564 1.00 20.20 H new ATOM 0 HG3 ARG A 88 -0.024 4.038 3.262 1.00 20.20 H new ATOM 0 HD2 ARG A 88 -2.720 3.547 4.577 1.00 33.11 H new ATOM 0 HD3 ARG A 88 -2.043 2.451 3.389 1.00 33.11 H new ATOM 0 HE ARG A 88 -1.202 2.767 6.168 1.00 14.11 H new ATOM 0 HH11 ARG A 88 -0.220 1.777 2.925 1.00 42.15 H new ATOM 0 HH12 ARG A 88 1.051 0.701 3.514 1.00 42.15 H new ATOM 0 HH21 ARG A 88 0.432 1.383 6.916 1.00 35.20 H new ATOM 0 HH22 ARG A 88 1.419 0.478 5.764 1.00 35.20 H new ATOM 1087 N SER A 89 0.146 6.501 1.454 1.00 60.43 N ATOM 1088 CA SER A 89 1.188 6.328 0.449 1.00 31.34 C ATOM 1089 C SER A 89 1.893 7.651 0.165 1.00 64.31 C ATOM 1090 O SER A 89 2.917 7.688 -0.519 1.00 22.54 O ATOM 1091 CB SER A 89 0.592 5.767 -0.843 1.00 41.01 C ATOM 1092 OG SER A 89 0.378 4.370 -0.742 1.00 40.14 O ATOM 0 H SER A 89 -0.805 6.443 1.090 1.00 60.43 H new ATOM 0 HA SER A 89 1.921 5.622 0.839 1.00 31.34 H new ATOM 0 HB2 SER A 89 -0.352 6.268 -1.059 1.00 41.01 H new ATOM 0 HB3 SER A 89 1.262 5.976 -1.677 1.00 41.01 H new ATOM 0 HG SER A 89 -0.514 4.202 -0.373 1.00 40.14 H new ATOM 1098 N LEU A 90 1.339 8.736 0.696 1.00 13.20 N ATOM 1099 CA LEU A 90 1.914 10.062 0.500 1.00 20.50 C ATOM 1100 C LEU A 90 3.203 10.220 1.300 1.00 33.31 C ATOM 1101 O LEU A 90 3.467 9.483 2.251 1.00 24.22 O ATOM 1102 CB LEU A 90 0.910 11.140 0.910 1.00 31.32 C ATOM 1103 CG LEU A 90 -0.020 11.646 -0.193 1.00 52.04 C ATOM 1104 CD1 LEU A 90 -1.448 11.188 0.061 1.00 13.43 C ATOM 1105 CD2 LEU A 90 0.046 13.163 -0.293 1.00 41.41 C ATOM 0 H LEU A 90 0.493 8.723 1.265 1.00 13.20 H new ATOM 0 HA LEU A 90 2.149 10.177 -0.558 1.00 20.50 H new ATOM 0 HB2 LEU A 90 0.298 10.748 1.722 1.00 31.32 H new ATOM 0 HB3 LEU A 90 1.463 11.990 1.310 1.00 31.32 H new ATOM 0 HG LEU A 90 0.311 11.225 -1.142 1.00 52.04 H new ATOM 0 HD11 LEU A 90 -2.096 11.558 -0.734 1.00 13.43 H new ATOM 0 HD12 LEU A 90 -1.483 10.099 0.080 1.00 13.43 H new ATOM 0 HD13 LEU A 90 -1.791 11.579 1.019 1.00 13.43 H new ATOM 0 HD21 LEU A 90 -0.622 13.505 -1.083 1.00 41.41 H new ATOM 0 HD22 LEU A 90 -0.259 13.604 0.656 1.00 41.41 H new ATOM 0 HD23 LEU A 90 1.067 13.468 -0.524 1.00 41.41 H new ATOM 1117 N PRO A 91 4.025 11.206 0.910 1.00 61.04 N ATOM 1118 CA PRO A 91 5.299 11.486 1.580 1.00 0.30 C ATOM 1119 C PRO A 91 5.104 12.069 2.976 1.00 31.13 C ATOM 1120 O PRO A 91 3.978 12.173 3.465 1.00 53.20 O ATOM 1121 CB PRO A 91 5.965 12.513 0.660 1.00 50.35 C ATOM 1122 CG PRO A 91 4.834 13.176 -0.048 1.00 2.33 C ATOM 1123 CD PRO A 91 3.774 12.123 -0.214 1.00 23.44 C ATOM 0 HA PRO A 91 5.888 10.581 1.730 1.00 0.30 H new ATOM 0 HB2 PRO A 91 6.552 13.233 1.230 1.00 50.35 H new ATOM 0 HB3 PRO A 91 6.645 12.032 -0.043 1.00 50.35 H new ATOM 0 HG2 PRO A 91 4.457 14.022 0.526 1.00 2.33 H new ATOM 0 HG3 PRO A 91 5.153 13.564 -1.015 1.00 2.33 H new ATOM 0 HD2 PRO A 91 2.772 12.550 -0.168 1.00 23.44 H new ATOM 0 HD3 PRO A 91 3.860 11.614 -1.174 1.00 23.44 H new ATOM 1131 N LYS A 92 6.206 12.446 3.613 1.00 32.51 N ATOM 1132 CA LYS A 92 6.157 13.020 4.953 1.00 1.54 C ATOM 1133 C LYS A 92 5.799 14.501 4.897 1.00 11.31 C ATOM 1134 O LYS A 92 6.038 15.171 3.892 1.00 11.14 O ATOM 1135 CB LYS A 92 7.503 12.837 5.659 1.00 24.45 C ATOM 1136 CG LYS A 92 8.630 13.645 5.039 1.00 34.54 C ATOM 1137 CD LYS A 92 9.928 12.856 5.003 1.00 43.24 C ATOM 1138 CE LYS A 92 11.119 13.725 5.379 1.00 22.10 C ATOM 1139 NZ LYS A 92 11.228 13.911 6.852 1.00 24.23 N ATOM 0 H LYS A 92 7.145 12.365 3.223 1.00 32.51 H new ATOM 0 HA LYS A 92 5.384 12.498 5.517 1.00 1.54 H new ATOM 0 HB2 LYS A 92 7.396 13.122 6.706 1.00 24.45 H new ATOM 0 HB3 LYS A 92 7.772 11.781 5.642 1.00 24.45 H new ATOM 0 HG2 LYS A 92 8.354 13.939 4.026 1.00 34.54 H new ATOM 0 HG3 LYS A 92 8.777 14.563 5.608 1.00 34.54 H new ATOM 0 HD2 LYS A 92 9.861 12.012 5.689 1.00 43.24 H new ATOM 0 HD3 LYS A 92 10.077 12.444 4.005 1.00 43.24 H new ATOM 0 HE2 LYS A 92 12.034 13.269 5.002 1.00 22.10 H new ATOM 0 HE3 LYS A 92 11.025 14.698 4.896 1.00 22.10 H new ATOM 0 HZ1 LYS A 92 12.052 14.509 7.066 1.00 24.23 H new ATOM 0 HZ2 LYS A 92 10.365 14.369 7.209 1.00 24.23 H new ATOM 0 HZ3 LYS A 92 11.343 12.985 7.311 1.00 24.23 H new ATOM 1153 N VAL A 93 5.224 15.009 5.985 1.00 22.10 N ATOM 1154 CA VAL A 93 4.836 16.411 6.061 1.00 41.34 C ATOM 1155 C VAL A 93 5.513 17.106 7.236 1.00 71.23 C ATOM 1156 O VAL A 93 5.763 16.493 8.274 1.00 62.52 O ATOM 1157 CB VAL A 93 3.309 16.564 6.197 1.00 15.35 C ATOM 1158 CG1 VAL A 93 2.833 16.004 7.529 1.00 45.14 C ATOM 1159 CG2 VAL A 93 2.905 18.023 6.048 1.00 64.23 C ATOM 0 H VAL A 93 5.017 14.469 6.825 1.00 22.10 H new ATOM 0 HA VAL A 93 5.159 16.880 5.131 1.00 41.34 H new ATOM 0 HB VAL A 93 2.831 15.995 5.399 1.00 15.35 H new ATOM 0 HG11 VAL A 93 1.752 16.121 7.607 1.00 45.14 H new ATOM 0 HG12 VAL A 93 3.089 14.946 7.591 1.00 45.14 H new ATOM 0 HG13 VAL A 93 3.316 16.543 8.344 1.00 45.14 H new ATOM 0 HG21 VAL A 93 1.823 18.113 6.147 1.00 64.23 H new ATOM 0 HG22 VAL A 93 3.391 18.616 6.823 1.00 64.23 H new ATOM 0 HG23 VAL A 93 3.211 18.387 5.067 1.00 64.23 H new ATOM 1169 N LYS A 94 5.806 18.392 7.068 1.00 33.11 N ATOM 1170 CA LYS A 94 6.452 19.173 8.116 1.00 74.13 C ATOM 1171 C LYS A 94 5.423 19.718 9.101 1.00 13.12 C ATOM 1172 O LYS A 94 5.191 20.926 9.165 1.00 64.04 O ATOM 1173 CB LYS A 94 7.249 20.326 7.503 1.00 63.31 C ATOM 1174 CG LYS A 94 8.082 21.095 8.514 1.00 1.04 C ATOM 1175 CD LYS A 94 8.647 22.372 7.915 1.00 2.13 C ATOM 1176 CE LYS A 94 8.542 23.538 8.886 1.00 55.41 C ATOM 1177 NZ LYS A 94 7.542 24.546 8.437 1.00 3.32 N ATOM 0 H LYS A 94 5.606 18.915 6.215 1.00 33.11 H new ATOM 0 HA LYS A 94 7.133 18.516 8.657 1.00 74.13 H new ATOM 0 HB2 LYS A 94 7.906 19.931 6.729 1.00 63.31 H new ATOM 0 HB3 LYS A 94 6.559 21.014 7.015 1.00 63.31 H new ATOM 0 HG2 LYS A 94 7.469 21.339 9.381 1.00 1.04 H new ATOM 0 HG3 LYS A 94 8.899 20.466 8.868 1.00 1.04 H new ATOM 0 HD2 LYS A 94 9.691 22.217 7.643 1.00 2.13 H new ATOM 0 HD3 LYS A 94 8.111 22.613 6.997 1.00 2.13 H new ATOM 0 HE2 LYS A 94 8.264 23.165 9.872 1.00 55.41 H new ATOM 0 HE3 LYS A 94 9.517 24.014 8.988 1.00 55.41 H new ATOM 0 HZ1 LYS A 94 7.500 25.324 9.126 1.00 3.32 H new ATOM 0 HZ2 LYS A 94 7.820 24.921 7.507 1.00 3.32 H new ATOM 0 HZ3 LYS A 94 6.606 24.098 8.364 1.00 3.32 H new ATOM 1191 N ALA A 95 4.810 18.822 9.866 1.00 43.24 N ATOM 1192 CA ALA A 95 3.808 19.216 10.850 1.00 22.34 C ATOM 1193 C ALA A 95 4.306 18.965 12.270 1.00 53.05 C ATOM 1194 O ALA A 95 3.525 18.631 13.163 1.00 63.35 O ATOM 1195 CB ALA A 95 2.506 18.467 10.605 1.00 52.25 C ATOM 0 H ALA A 95 4.989 17.819 9.824 1.00 43.24 H new ATOM 0 HA ALA A 95 3.626 20.285 10.740 1.00 22.34 H new ATOM 0 HB1 ALA A 95 1.767 18.770 11.346 1.00 52.25 H new ATOM 0 HB2 ALA A 95 2.135 18.699 9.607 1.00 52.25 H new ATOM 0 HB3 ALA A 95 2.682 17.394 10.686 1.00 52.25 H new ATOM 1201 N LEU A 96 5.608 19.130 12.472 1.00 64.45 N ATOM 1202 CA LEU A 96 6.211 18.921 13.785 1.00 14.02 C ATOM 1203 C LEU A 96 7.577 19.594 13.870 1.00 34.44 C ATOM 1204 O LEU A 96 7.833 20.390 14.772 1.00 71.42 O ATOM 1205 CB LEU A 96 6.346 17.425 14.074 1.00 51.12 C ATOM 1206 CG LEU A 96 5.663 16.921 15.345 1.00 73.52 C ATOM 1207 CD1 LEU A 96 5.287 15.455 15.204 1.00 13.14 C ATOM 1208 CD2 LEU A 96 6.565 17.129 16.554 1.00 22.44 C ATOM 0 H LEU A 96 6.267 19.408 11.745 1.00 64.45 H new ATOM 0 HA LEU A 96 5.559 19.371 14.533 1.00 14.02 H new ATOM 0 HB2 LEU A 96 5.941 16.874 13.225 1.00 51.12 H new ATOM 0 HB3 LEU A 96 7.407 17.182 14.135 1.00 51.12 H new ATOM 0 HG LEU A 96 4.749 17.496 15.495 1.00 73.52 H new ATOM 0 HD11 LEU A 96 4.802 15.114 16.119 1.00 13.14 H new ATOM 0 HD12 LEU A 96 4.603 15.334 14.364 1.00 13.14 H new ATOM 0 HD13 LEU A 96 6.186 14.864 15.028 1.00 13.14 H new ATOM 0 HD21 LEU A 96 6.062 16.764 17.450 1.00 22.44 H new ATOM 0 HD22 LEU A 96 7.496 16.581 16.412 1.00 22.44 H new ATOM 0 HD23 LEU A 96 6.783 18.191 16.667 1.00 22.44 H new ATOM 1220 N GLY A 97 8.451 19.269 12.923 1.00 30.52 N ATOM 1221 CA GLY A 97 9.779 19.852 12.908 1.00 24.04 C ATOM 1222 C GLY A 97 9.852 21.109 12.063 1.00 63.23 C ATOM 1223 O GLY A 97 8.828 21.612 11.599 1.00 25.44 O ATOM 0 H GLY A 97 8.263 18.612 12.166 1.00 30.52 H new ATOM 0 HA2 GLY A 97 10.081 20.086 13.929 1.00 24.04 H new ATOM 0 HA3 GLY A 97 10.490 19.119 12.526 1.00 24.04 H new ATOM 1227 N TYR A 98 11.063 21.617 11.864 1.00 25.14 N ATOM 1228 CA TYR A 98 11.263 22.826 11.073 1.00 64.42 C ATOM 1229 C TYR A 98 12.035 22.517 9.794 1.00 51.13 C ATOM 1230 O TYR A 98 12.803 23.345 9.303 1.00 44.34 O ATOM 1231 CB TYR A 98 12.013 23.877 11.892 1.00 63.01 C ATOM 1232 CG TYR A 98 11.605 25.298 11.571 1.00 12.11 C ATOM 1233 CD1 TYR A 98 10.431 25.837 12.084 1.00 14.42 C ATOM 1234 CD2 TYR A 98 12.392 26.100 10.755 1.00 53.53 C ATOM 1235 CE1 TYR A 98 10.054 27.133 11.793 1.00 72.14 C ATOM 1236 CE2 TYR A 98 12.023 27.398 10.459 1.00 3.43 C ATOM 1237 CZ TYR A 98 10.854 27.910 10.980 1.00 62.14 C ATOM 1238 OH TYR A 98 10.483 29.203 10.687 1.00 14.41 O ATOM 0 H TYR A 98 11.920 21.211 12.239 1.00 25.14 H new ATOM 0 HA TYR A 98 10.283 23.218 10.800 1.00 64.42 H new ATOM 0 HB2 TYR A 98 11.842 23.689 12.952 1.00 63.01 H new ATOM 0 HB3 TYR A 98 13.083 23.767 11.717 1.00 63.01 H new ATOM 0 HD1 TYR A 98 9.803 25.232 12.721 1.00 14.42 H new ATOM 0 HD2 TYR A 98 13.308 25.702 10.345 1.00 53.53 H new ATOM 0 HE1 TYR A 98 9.138 27.536 12.199 1.00 72.14 H new ATOM 0 HE2 TYR A 98 12.647 28.008 9.823 1.00 3.43 H new ATOM 0 HH TYR A 98 11.156 29.612 10.104 1.00 14.41 H new ATOM 1248 N ASP A 99 11.825 21.319 9.259 1.00 64.12 N ATOM 1249 CA ASP A 99 12.499 20.898 8.035 1.00 43.03 C ATOM 1250 C ASP A 99 11.717 19.791 7.336 1.00 30.11 C ATOM 1251 O ASP A 99 11.310 18.814 7.964 1.00 40.41 O ATOM 1252 CB ASP A 99 13.917 20.419 8.347 1.00 22.25 C ATOM 1253 CG ASP A 99 13.941 19.019 8.926 1.00 73.14 C ATOM 1254 OD1 ASP A 99 13.917 18.051 8.138 1.00 3.24 O ATOM 1255 OD2 ASP A 99 13.981 18.890 10.168 1.00 62.33 O ATOM 0 H ASP A 99 11.193 20.622 9.653 1.00 64.12 H new ATOM 0 HA ASP A 99 12.553 21.757 7.366 1.00 43.03 H new ATOM 0 HB2 ASP A 99 14.514 20.442 7.435 1.00 22.25 H new ATOM 0 HB3 ASP A 99 14.383 21.108 9.051 1.00 22.25 H new ATOM 1260 N GLY A 100 11.508 19.952 6.033 1.00 30.40 N ATOM 1261 CA GLY A 100 10.774 18.959 5.272 1.00 21.03 C ATOM 1262 C GLY A 100 11.241 18.870 3.832 1.00 71.20 C ATOM 1263 O GLY A 100 12.410 19.116 3.536 1.00 45.11 O ATOM 0 H GLY A 100 11.834 20.752 5.491 1.00 30.40 H new ATOM 0 HA2 GLY A 100 10.886 17.985 5.748 1.00 21.03 H new ATOM 0 HA3 GLY A 100 9.712 19.203 5.292 1.00 21.03 H new ATOM 1267 N ASN A 101 10.327 18.516 2.935 1.00 21.13 N ATOM 1268 CA ASN A 101 10.653 18.393 1.519 1.00 21.40 C ATOM 1269 C ASN A 101 11.750 17.355 1.301 1.00 52.20 C ATOM 1270 O ASN A 101 12.915 17.701 1.108 1.00 73.11 O ATOM 1271 CB ASN A 101 11.096 19.745 0.957 1.00 4.53 C ATOM 1272 CG ASN A 101 10.995 19.803 -0.555 1.00 13.32 C ATOM 1273 OD1 ASN A 101 9.969 20.204 -1.105 1.00 64.14 O ATOM 1274 ND2 ASN A 101 12.064 19.402 -1.235 1.00 14.14 N ATOM 0 H ASN A 101 9.355 18.309 3.163 1.00 21.13 H new ATOM 0 HA ASN A 101 9.757 18.064 0.993 1.00 21.40 H new ATOM 0 HB2 ASN A 101 10.482 20.534 1.390 1.00 4.53 H new ATOM 0 HB3 ASN A 101 12.125 19.941 1.258 1.00 4.53 H new ATOM 0 HD21 ASN A 101 12.056 19.419 -2.255 1.00 14.14 H new ATOM 0 HD22 ASN A 101 12.893 19.077 -0.737 1.00 14.14 H new TER 1281 ASN A 101