USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 829 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 37 TYR OH : rot 0:sc= 0.605 USER MOD Set 1.2: A 69 SER OG : rot -126:sc= 0.669 USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.155) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.595 USER MOD Single : A 9 LYS NZ :NH3+ -139:sc= 1.08 (180deg=0.206) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.2!) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= 0.708 (180deg=0.14) USER MOD Single : A 23 LYS NZ :NH3+ -133:sc= -0.821 (180deg=-3.04!) USER MOD Single : A 34 GLN : amide:sc= 0.464 K(o=0.46,f=-0.054) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00294 X(o=-0.0029,f=-0.16) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -170:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 175:sc= -0.177 (180deg=-0.201) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 174:sc=-0.000429 (180deg=-0.0648) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0151) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0504) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 69:sc= 0.0495 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -160:sc= 0.354 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.226 -3.475 20.925 1.00 62.40 N ATOM 2 CA MET A 1 -4.697 -2.952 19.647 1.00 24.40 C ATOM 3 C MET A 1 -3.498 -3.802 19.183 1.00 44.31 C ATOM 4 O MET A 1 -2.463 -3.862 19.855 1.00 3.24 O ATOM 5 CB MET A 1 -4.302 -1.454 19.784 1.00 15.21 C ATOM 6 CG MET A 1 -3.680 -0.837 18.521 1.00 44.31 C ATOM 7 SD MET A 1 -3.289 0.918 18.701 1.00 20.04 S ATOM 8 CE MET A 1 -4.928 1.650 18.723 1.00 23.34 C ATOM 0 H1 MET A 1 -6.034 -2.895 21.229 1.00 62.40 H new ATOM 0 H2 MET A 1 -5.535 -4.459 20.796 1.00 62.40 H new ATOM 0 H3 MET A 1 -4.481 -3.439 21.650 1.00 62.40 H new ATOM 0 HA MET A 1 -5.479 -3.019 18.891 1.00 24.40 H new ATOM 0 HB2 MET A 1 -5.190 -0.881 20.053 1.00 15.21 H new ATOM 0 HB3 MET A 1 -3.595 -1.352 20.608 1.00 15.21 H new ATOM 0 HG2 MET A 1 -2.769 -1.381 18.270 1.00 44.31 H new ATOM 0 HG3 MET A 1 -4.368 -0.965 17.686 1.00 44.31 H new ATOM 0 HE1 MET A 1 -4.845 2.731 18.614 1.00 23.34 H new ATOM 0 HE2 MET A 1 -5.518 1.247 17.900 1.00 23.34 H new ATOM 0 HE3 MET A 1 -5.418 1.417 19.668 1.00 23.34 H new ATOM 20 N LEU A 2 -3.673 -4.451 18.028 1.00 12.02 N ATOM 21 CA LEU A 2 -2.679 -5.332 17.391 1.00 3.40 C ATOM 22 C LEU A 2 -2.050 -4.630 16.174 1.00 61.22 C ATOM 23 O LEU A 2 -2.585 -3.633 15.686 1.00 72.22 O ATOM 24 CB LEU A 2 -3.361 -6.690 17.017 1.00 25.24 C ATOM 25 CG LEU A 2 -4.785 -6.622 16.346 1.00 2.14 C ATOM 26 CD1 LEU A 2 -4.747 -6.043 14.915 1.00 72.53 C ATOM 27 CD2 LEU A 2 -5.483 -7.999 16.361 1.00 35.44 C ATOM 0 H LEU A 2 -4.537 -4.378 17.490 1.00 12.02 H new ATOM 0 HA LEU A 2 -1.865 -5.548 18.083 1.00 3.40 H new ATOM 0 HB2 LEU A 2 -2.695 -7.227 16.342 1.00 25.24 H new ATOM 0 HB3 LEU A 2 -3.444 -7.287 17.925 1.00 25.24 H new ATOM 0 HG LEU A 2 -5.372 -5.932 16.951 1.00 2.14 H new ATOM 0 HD11 LEU A 2 -5.757 -6.021 14.504 1.00 72.53 H new ATOM 0 HD12 LEU A 2 -4.344 -5.030 14.943 1.00 72.53 H new ATOM 0 HD13 LEU A 2 -4.113 -6.668 14.286 1.00 72.53 H new ATOM 0 HD21 LEU A 2 -6.463 -7.915 15.890 1.00 35.44 H new ATOM 0 HD22 LEU A 2 -4.877 -8.720 15.812 1.00 35.44 H new ATOM 0 HD23 LEU A 2 -5.603 -8.335 17.391 1.00 35.44 H new ATOM 39 N THR A 3 -0.894 -5.117 15.712 1.00 62.41 N ATOM 40 CA THR A 3 -0.246 -4.590 14.503 1.00 5.31 C ATOM 41 C THR A 3 0.038 -5.727 13.506 1.00 22.41 C ATOM 42 O THR A 3 0.685 -6.723 13.856 1.00 14.40 O ATOM 43 CB THR A 3 1.082 -3.849 14.849 1.00 1.25 C ATOM 44 OG1 THR A 3 0.853 -2.907 15.907 1.00 31.13 O ATOM 45 CG2 THR A 3 1.650 -3.099 13.633 1.00 54.23 C ATOM 0 H THR A 3 -0.384 -5.879 16.159 1.00 62.41 H new ATOM 0 HA THR A 3 -0.930 -3.874 14.047 1.00 5.31 H new ATOM 0 HB THR A 3 1.805 -4.603 15.159 1.00 1.25 H new ATOM 0 HG1 THR A 3 1.691 -2.446 16.121 1.00 31.13 H new ATOM 0 HG21 THR A 3 2.575 -2.596 13.915 1.00 54.23 H new ATOM 0 HG22 THR A 3 1.853 -3.808 12.830 1.00 54.23 H new ATOM 0 HG23 THR A 3 0.925 -2.360 13.290 1.00 54.23 H new ATOM 53 N VAL A 4 -0.465 -5.576 12.272 1.00 10.35 N ATOM 54 CA VAL A 4 -0.119 -6.455 11.144 1.00 62.34 C ATOM 55 C VAL A 4 0.841 -5.715 10.196 1.00 33.45 C ATOM 56 O VAL A 4 0.745 -4.497 10.025 1.00 12.05 O ATOM 57 CB VAL A 4 -1.399 -6.935 10.361 1.00 43.33 C ATOM 58 CG1 VAL A 4 -2.227 -5.747 9.826 1.00 3.42 C ATOM 59 CG2 VAL A 4 -1.019 -7.917 9.218 1.00 22.32 C ATOM 0 H VAL A 4 -1.126 -4.838 12.027 1.00 10.35 H new ATOM 0 HA VAL A 4 0.368 -7.345 11.542 1.00 62.34 H new ATOM 0 HB VAL A 4 -2.030 -7.471 11.070 1.00 43.33 H new ATOM 0 HG11 VAL A 4 -3.100 -6.123 9.293 1.00 3.42 H new ATOM 0 HG12 VAL A 4 -2.551 -5.125 10.660 1.00 3.42 H new ATOM 0 HG13 VAL A 4 -1.615 -5.153 9.147 1.00 3.42 H new ATOM 0 HG21 VAL A 4 -1.921 -8.232 8.694 1.00 22.32 H new ATOM 0 HG22 VAL A 4 -0.349 -7.419 8.518 1.00 22.32 H new ATOM 0 HG23 VAL A 4 -0.520 -8.790 9.639 1.00 22.32 H new ATOM 69 N GLU A 5 1.779 -6.461 9.610 1.00 11.33 N ATOM 70 CA GLU A 5 2.726 -5.963 8.606 1.00 13.10 C ATOM 71 C GLU A 5 2.651 -6.857 7.370 1.00 71.44 C ATOM 72 O GLU A 5 2.509 -8.074 7.496 1.00 24.14 O ATOM 73 CB GLU A 5 4.172 -5.964 9.168 1.00 72.42 C ATOM 74 CG GLU A 5 4.362 -5.108 10.434 1.00 54.42 C ATOM 75 CD GLU A 5 5.794 -5.140 10.994 1.00 60.50 C ATOM 76 OE1 GLU A 5 6.145 -6.121 11.682 1.00 44.21 O ATOM 77 OE2 GLU A 5 6.562 -4.178 10.769 1.00 41.45 O ATOM 0 H GLU A 5 1.906 -7.450 9.824 1.00 11.33 H new ATOM 0 HA GLU A 5 2.463 -4.938 8.343 1.00 13.10 H new ATOM 0 HB2 GLU A 5 4.461 -6.991 9.391 1.00 72.42 H new ATOM 0 HB3 GLU A 5 4.850 -5.603 8.395 1.00 72.42 H new ATOM 0 HG2 GLU A 5 4.093 -4.076 10.208 1.00 54.42 H new ATOM 0 HG3 GLU A 5 3.673 -5.456 11.204 1.00 54.42 H new ATOM 84 N VAL A 6 2.748 -6.247 6.187 1.00 22.01 N ATOM 85 CA VAL A 6 2.833 -6.950 4.906 1.00 53.22 C ATOM 86 C VAL A 6 3.963 -6.311 4.075 1.00 25.51 C ATOM 87 O VAL A 6 4.059 -5.081 3.963 1.00 61.21 O ATOM 88 CB VAL A 6 1.460 -6.932 4.121 1.00 63.22 C ATOM 89 CG1 VAL A 6 1.000 -5.498 3.793 1.00 64.25 C ATOM 90 CG2 VAL A 6 1.532 -7.804 2.842 1.00 1.33 C ATOM 0 H VAL A 6 2.770 -5.232 6.091 1.00 22.01 H new ATOM 0 HA VAL A 6 3.057 -8.000 5.092 1.00 53.22 H new ATOM 0 HB VAL A 6 0.709 -7.366 4.781 1.00 63.22 H new ATOM 0 HG11 VAL A 6 0.053 -5.534 3.254 1.00 64.25 H new ATOM 0 HG12 VAL A 6 0.870 -4.937 4.718 1.00 64.25 H new ATOM 0 HG13 VAL A 6 1.751 -5.007 3.174 1.00 64.25 H new ATOM 0 HG21 VAL A 6 0.573 -7.771 2.325 1.00 1.33 H new ATOM 0 HG22 VAL A 6 2.312 -7.421 2.184 1.00 1.33 H new ATOM 0 HG23 VAL A 6 1.761 -8.834 3.116 1.00 1.33 H new ATOM 100 N GLU A 7 4.839 -7.148 3.551 1.00 24.12 N ATOM 101 CA GLU A 7 5.960 -6.741 2.710 1.00 34.41 C ATOM 102 C GLU A 7 5.587 -7.025 1.244 1.00 20.32 C ATOM 103 O GLU A 7 5.498 -8.186 0.826 1.00 13.32 O ATOM 104 CB GLU A 7 7.215 -7.527 3.172 1.00 44.12 C ATOM 105 CG GLU A 7 8.516 -7.156 2.455 1.00 62.01 C ATOM 106 CD GLU A 7 9.735 -7.844 3.081 1.00 22.24 C ATOM 107 OE1 GLU A 7 10.006 -9.013 2.756 1.00 43.11 O ATOM 108 OE2 GLU A 7 10.416 -7.230 3.924 1.00 15.25 O ATOM 0 H GLU A 7 4.793 -8.156 3.700 1.00 24.12 H new ATOM 0 HA GLU A 7 6.181 -5.677 2.796 1.00 34.41 H new ATOM 0 HB2 GLU A 7 7.350 -7.368 4.242 1.00 44.12 H new ATOM 0 HB3 GLU A 7 7.031 -8.592 3.029 1.00 44.12 H new ATOM 0 HG2 GLU A 7 8.443 -7.435 1.404 1.00 62.01 H new ATOM 0 HG3 GLU A 7 8.653 -6.075 2.489 1.00 62.01 H new ATOM 115 N VAL A 8 5.299 -5.953 0.497 1.00 12.00 N ATOM 116 CA VAL A 8 4.867 -6.017 -0.908 1.00 23.34 C ATOM 117 C VAL A 8 5.990 -5.485 -1.821 1.00 72.52 C ATOM 118 O VAL A 8 6.430 -4.359 -1.662 1.00 61.13 O ATOM 119 CB VAL A 8 3.548 -5.181 -1.124 1.00 60.44 C ATOM 120 CG1 VAL A 8 3.073 -5.259 -2.590 1.00 63.40 C ATOM 121 CG2 VAL A 8 2.430 -5.638 -0.148 1.00 43.04 C ATOM 0 H VAL A 8 5.360 -5.000 0.856 1.00 12.00 H new ATOM 0 HA VAL A 8 4.658 -7.056 -1.163 1.00 23.34 H new ATOM 0 HB VAL A 8 3.776 -4.138 -0.904 1.00 60.44 H new ATOM 0 HG11 VAL A 8 2.162 -4.673 -2.709 1.00 63.40 H new ATOM 0 HG12 VAL A 8 3.848 -4.861 -3.245 1.00 63.40 H new ATOM 0 HG13 VAL A 8 2.873 -6.298 -2.853 1.00 63.40 H new ATOM 0 HG21 VAL A 8 1.532 -5.044 -0.320 1.00 43.04 H new ATOM 0 HG22 VAL A 8 2.207 -6.691 -0.318 1.00 43.04 H new ATOM 0 HG23 VAL A 8 2.765 -5.500 0.880 1.00 43.04 H new ATOM 131 N LYS A 9 6.453 -6.320 -2.758 1.00 64.42 N ATOM 132 CA LYS A 9 7.513 -5.970 -3.716 1.00 41.33 C ATOM 133 C LYS A 9 6.869 -5.506 -5.048 1.00 41.23 C ATOM 134 O LYS A 9 6.355 -6.329 -5.806 1.00 21.50 O ATOM 135 CB LYS A 9 8.415 -7.218 -3.932 1.00 71.43 C ATOM 136 CG LYS A 9 9.714 -6.962 -4.730 1.00 4.22 C ATOM 137 CD LYS A 9 10.428 -8.270 -5.155 1.00 43.21 C ATOM 138 CE LYS A 9 10.808 -9.175 -3.968 1.00 63.11 C ATOM 139 NZ LYS A 9 11.764 -8.515 -3.040 1.00 51.03 N ATOM 0 H LYS A 9 6.099 -7.269 -2.875 1.00 64.42 H new ATOM 0 HA LYS A 9 8.125 -5.153 -3.334 1.00 41.33 H new ATOM 0 HB2 LYS A 9 8.681 -7.627 -2.957 1.00 71.43 H new ATOM 0 HB3 LYS A 9 7.834 -7.981 -4.450 1.00 71.43 H new ATOM 0 HG2 LYS A 9 9.479 -6.377 -5.619 1.00 4.22 H new ATOM 0 HG3 LYS A 9 10.394 -6.363 -4.125 1.00 4.22 H new ATOM 0 HD2 LYS A 9 9.779 -8.825 -5.832 1.00 43.21 H new ATOM 0 HD3 LYS A 9 11.330 -8.018 -5.713 1.00 43.21 H new ATOM 0 HE2 LYS A 9 9.906 -9.452 -3.421 1.00 63.11 H new ATOM 0 HE3 LYS A 9 11.249 -10.098 -4.344 1.00 63.11 H new ATOM 0 HZ1 LYS A 9 12.482 -9.202 -2.735 1.00 51.03 H new ATOM 0 HZ2 LYS A 9 12.228 -7.722 -3.526 1.00 51.03 H new ATOM 0 HZ3 LYS A 9 11.251 -8.159 -2.209 1.00 51.03 H new ATOM 153 N ILE A 10 6.912 -4.195 -5.324 1.00 1.54 N ATOM 154 CA ILE A 10 6.275 -3.592 -6.519 1.00 33.14 C ATOM 155 C ILE A 10 7.324 -3.483 -7.644 1.00 3.54 C ATOM 156 O ILE A 10 8.327 -2.770 -7.490 1.00 21.53 O ATOM 157 CB ILE A 10 5.676 -2.137 -6.259 1.00 33.22 C ATOM 158 CG1 ILE A 10 4.606 -2.119 -5.112 1.00 2.04 C ATOM 159 CG2 ILE A 10 5.070 -1.558 -7.566 1.00 75.42 C ATOM 160 CD1 ILE A 10 5.176 -2.142 -3.708 1.00 45.03 C ATOM 0 H ILE A 10 7.388 -3.517 -4.729 1.00 1.54 H new ATOM 0 HA ILE A 10 5.444 -4.244 -6.790 1.00 33.14 H new ATOM 0 HB ILE A 10 6.505 -1.509 -5.933 1.00 33.22 H new ATOM 0 HG12 ILE A 10 3.990 -1.227 -5.224 1.00 2.04 H new ATOM 0 HG13 ILE A 10 3.948 -2.979 -5.235 1.00 2.04 H new ATOM 0 HG21 ILE A 10 4.666 -0.565 -7.371 1.00 75.42 H new ATOM 0 HG22 ILE A 10 5.846 -1.490 -8.328 1.00 75.42 H new ATOM 0 HG23 ILE A 10 4.272 -2.212 -7.918 1.00 75.42 H new ATOM 0 HD11 ILE A 10 4.361 -2.127 -2.984 1.00 45.03 H new ATOM 0 HD12 ILE A 10 5.767 -3.047 -3.570 1.00 45.03 H new ATOM 0 HD13 ILE A 10 5.810 -1.268 -3.558 1.00 45.03 H new ATOM 172 N THR A 11 7.095 -4.200 -8.754 1.00 14.32 N ATOM 173 CA THR A 11 7.926 -4.105 -9.963 1.00 43.12 C ATOM 174 C THR A 11 7.140 -3.396 -11.100 1.00 42.12 C ATOM 175 O THR A 11 5.979 -3.732 -11.390 1.00 72.23 O ATOM 176 CB THR A 11 8.454 -5.513 -10.424 1.00 43.34 C ATOM 177 OG1 THR A 11 9.268 -5.374 -11.603 1.00 12.52 O ATOM 178 CG2 THR A 11 7.323 -6.520 -10.689 1.00 61.20 C ATOM 0 H THR A 11 6.326 -4.864 -8.839 1.00 14.32 H new ATOM 0 HA THR A 11 8.803 -3.505 -9.721 1.00 43.12 H new ATOM 0 HB THR A 11 9.050 -5.909 -9.602 1.00 43.34 H new ATOM 0 HG1 THR A 11 9.594 -6.255 -11.882 1.00 12.52 H new ATOM 0 HG21 THR A 11 7.750 -7.472 -11.004 1.00 61.20 H new ATOM 0 HG22 THR A 11 6.744 -6.666 -9.777 1.00 61.20 H new ATOM 0 HG23 THR A 11 6.672 -6.137 -11.475 1.00 61.20 H new ATOM 186 N ALA A 12 7.797 -2.395 -11.707 1.00 64.12 N ATOM 187 CA ALA A 12 7.253 -1.571 -12.802 1.00 70.50 C ATOM 188 C ALA A 12 8.378 -1.233 -13.803 1.00 72.52 C ATOM 189 O ALA A 12 9.550 -1.538 -13.546 1.00 33.04 O ATOM 190 CB ALA A 12 6.621 -0.289 -12.227 1.00 40.41 C ATOM 0 H ALA A 12 8.746 -2.128 -11.444 1.00 64.12 H new ATOM 0 HA ALA A 12 6.477 -2.126 -13.329 1.00 70.50 H new ATOM 0 HB1 ALA A 12 6.221 0.316 -13.041 1.00 40.41 H new ATOM 0 HB2 ALA A 12 5.815 -0.556 -11.543 1.00 40.41 H new ATOM 0 HB3 ALA A 12 7.379 0.281 -11.690 1.00 40.41 H new ATOM 196 N ASP A 13 8.008 -0.616 -14.945 1.00 1.41 N ATOM 197 CA ASP A 13 8.974 -0.155 -15.975 1.00 63.42 C ATOM 198 C ASP A 13 9.902 0.932 -15.418 1.00 63.42 C ATOM 199 O ASP A 13 11.077 1.005 -15.793 1.00 42.12 O ATOM 200 CB ASP A 13 8.254 0.378 -17.253 1.00 52.03 C ATOM 201 CG ASP A 13 7.653 -0.730 -18.137 1.00 60.22 C ATOM 202 OD1 ASP A 13 8.405 -1.655 -18.533 1.00 63.51 O ATOM 203 OD2 ASP A 13 6.446 -0.667 -18.471 1.00 13.11 O ATOM 0 H ASP A 13 7.035 -0.422 -15.182 1.00 1.41 H new ATOM 0 HA ASP A 13 9.569 -1.024 -16.254 1.00 63.42 H new ATOM 0 HB2 ASP A 13 7.459 1.061 -16.953 1.00 52.03 H new ATOM 0 HB3 ASP A 13 8.964 0.956 -17.844 1.00 52.03 H new ATOM 208 N ASP A 14 9.367 1.777 -14.527 1.00 13.22 N ATOM 209 CA ASP A 14 10.157 2.817 -13.849 1.00 34.32 C ATOM 210 C ASP A 14 9.829 2.814 -12.364 1.00 43.02 C ATOM 211 O ASP A 14 8.686 3.081 -11.978 1.00 12.32 O ATOM 212 CB ASP A 14 9.892 4.207 -14.468 1.00 71.13 C ATOM 213 CG ASP A 14 10.805 5.314 -13.921 1.00 32.00 C ATOM 214 OD1 ASP A 14 12.046 5.191 -14.058 1.00 2.42 O ATOM 215 OD2 ASP A 14 10.297 6.311 -13.374 1.00 33.24 O ATOM 0 H ASP A 14 8.384 1.761 -14.257 1.00 13.22 H new ATOM 0 HA ASP A 14 11.217 2.598 -13.981 1.00 34.32 H new ATOM 0 HB2 ASP A 14 10.021 4.144 -15.548 1.00 71.13 H new ATOM 0 HB3 ASP A 14 8.853 4.483 -14.287 1.00 71.13 H new ATOM 220 N GLU A 15 10.840 2.478 -11.547 1.00 44.32 N ATOM 221 CA GLU A 15 10.718 2.420 -10.077 1.00 5.01 C ATOM 222 C GLU A 15 10.468 3.811 -9.456 1.00 23.44 C ATOM 223 O GLU A 15 9.889 3.907 -8.372 1.00 15.21 O ATOM 224 CB GLU A 15 11.978 1.759 -9.429 1.00 32.10 C ATOM 225 CG GLU A 15 13.277 2.596 -9.424 1.00 63.54 C ATOM 226 CD GLU A 15 13.810 2.955 -10.821 1.00 61.12 C ATOM 227 OE1 GLU A 15 14.497 2.122 -11.428 1.00 42.03 O ATOM 228 OE2 GLU A 15 13.537 4.073 -11.314 1.00 52.41 O ATOM 0 H GLU A 15 11.771 2.237 -11.887 1.00 44.32 H new ATOM 0 HA GLU A 15 9.848 1.800 -9.862 1.00 5.01 H new ATOM 0 HB2 GLU A 15 11.735 1.502 -8.398 1.00 32.10 H new ATOM 0 HB3 GLU A 15 12.178 0.824 -9.952 1.00 32.10 H new ATOM 0 HG2 GLU A 15 13.098 3.517 -8.869 1.00 63.54 H new ATOM 0 HG3 GLU A 15 14.048 2.044 -8.886 1.00 63.54 H new ATOM 235 N ASN A 16 10.917 4.879 -10.147 1.00 64.11 N ATOM 236 CA ASN A 16 10.761 6.263 -9.667 1.00 44.52 C ATOM 237 C ASN A 16 9.283 6.676 -9.736 1.00 11.13 C ATOM 238 O ASN A 16 8.726 7.169 -8.754 1.00 70.32 O ATOM 239 CB ASN A 16 11.665 7.222 -10.483 1.00 41.24 C ATOM 240 CG ASN A 16 11.726 8.625 -9.891 1.00 3.24 C ATOM 241 OD1 ASN A 16 12.595 8.922 -9.068 1.00 1.51 O ATOM 242 ND2 ASN A 16 10.799 9.488 -10.276 1.00 25.43 N ATOM 0 H ASN A 16 11.394 4.805 -11.046 1.00 64.11 H new ATOM 0 HA ASN A 16 11.078 6.323 -8.626 1.00 44.52 H new ATOM 0 HB2 ASN A 16 12.673 6.810 -10.532 1.00 41.24 H new ATOM 0 HB3 ASN A 16 11.294 7.280 -11.506 1.00 41.24 H new ATOM 0 HD21 ASN A 16 10.789 10.432 -9.890 1.00 25.43 H new ATOM 0 HD22 ASN A 16 10.095 9.209 -10.959 1.00 25.43 H new ATOM 249 N LYS A 17 8.651 6.404 -10.894 1.00 43.33 N ATOM 250 CA LYS A 17 7.218 6.665 -11.115 1.00 20.30 C ATOM 251 C LYS A 17 6.355 5.735 -10.252 1.00 23.13 C ATOM 252 O LYS A 17 5.333 6.167 -9.722 1.00 43.02 O ATOM 253 CB LYS A 17 6.854 6.503 -12.616 1.00 43.23 C ATOM 254 CG LYS A 17 7.172 7.740 -13.478 1.00 53.30 C ATOM 255 CD LYS A 17 6.226 8.932 -13.182 1.00 31.40 C ATOM 256 CE LYS A 17 6.674 10.221 -13.882 1.00 33.21 C ATOM 257 NZ LYS A 17 8.000 10.665 -13.387 1.00 61.24 N ATOM 0 H LYS A 17 9.121 5.997 -11.702 1.00 43.33 H new ATOM 0 HA LYS A 17 7.014 7.694 -10.820 1.00 20.30 H new ATOM 0 HB2 LYS A 17 7.392 5.645 -13.019 1.00 43.23 H new ATOM 0 HB3 LYS A 17 5.790 6.280 -12.699 1.00 43.23 H new ATOM 0 HG2 LYS A 17 8.203 8.046 -13.301 1.00 53.30 H new ATOM 0 HG3 LYS A 17 7.095 7.473 -14.532 1.00 53.30 H new ATOM 0 HD2 LYS A 17 5.216 8.679 -13.504 1.00 31.40 H new ATOM 0 HD3 LYS A 17 6.185 9.101 -12.106 1.00 31.40 H new ATOM 0 HE2 LYS A 17 6.721 10.056 -14.958 1.00 33.21 H new ATOM 0 HE3 LYS A 17 5.937 11.006 -13.711 1.00 33.21 H new ATOM 0 HZ1 LYS A 17 8.124 11.678 -13.587 1.00 61.24 H new ATOM 0 HZ2 LYS A 17 8.059 10.505 -12.361 1.00 61.24 H new ATOM 0 HZ3 LYS A 17 8.748 10.124 -13.866 1.00 61.24 H new ATOM 271 N ALA A 18 6.789 4.463 -10.125 1.00 34.41 N ATOM 272 CA ALA A 18 6.121 3.466 -9.273 1.00 30.44 C ATOM 273 C ALA A 18 6.053 3.961 -7.822 1.00 12.42 C ATOM 274 O ALA A 18 5.010 3.868 -7.181 1.00 14.32 O ATOM 275 CB ALA A 18 6.846 2.111 -9.346 1.00 51.20 C ATOM 0 H ALA A 18 7.611 4.103 -10.610 1.00 34.41 H new ATOM 0 HA ALA A 18 5.104 3.328 -9.641 1.00 30.44 H new ATOM 0 HB1 ALA A 18 6.335 1.390 -8.708 1.00 51.20 H new ATOM 0 HB2 ALA A 18 6.843 1.752 -10.375 1.00 51.20 H new ATOM 0 HB3 ALA A 18 7.875 2.230 -9.006 1.00 51.20 H new ATOM 281 N GLU A 19 7.176 4.540 -7.347 1.00 24.41 N ATOM 282 CA GLU A 19 7.283 5.094 -5.992 1.00 42.13 C ATOM 283 C GLU A 19 6.348 6.309 -5.824 1.00 72.30 C ATOM 284 O GLU A 19 5.605 6.376 -4.850 1.00 42.23 O ATOM 285 CB GLU A 19 8.746 5.497 -5.672 1.00 33.11 C ATOM 286 CG GLU A 19 8.935 6.061 -4.251 1.00 24.34 C ATOM 287 CD GLU A 19 10.361 6.520 -3.971 1.00 3.35 C ATOM 288 OE1 GLU A 19 10.711 7.658 -4.361 1.00 14.51 O ATOM 289 OE2 GLU A 19 11.149 5.754 -3.384 1.00 12.31 O ATOM 0 H GLU A 19 8.030 4.634 -7.896 1.00 24.41 H new ATOM 0 HA GLU A 19 6.977 4.319 -5.289 1.00 42.13 H new ATOM 0 HB2 GLU A 19 9.389 4.626 -5.796 1.00 33.11 H new ATOM 0 HB3 GLU A 19 9.075 6.242 -6.396 1.00 33.11 H new ATOM 0 HG2 GLU A 19 8.255 6.901 -4.107 1.00 24.34 H new ATOM 0 HG3 GLU A 19 8.657 5.298 -3.524 1.00 24.34 H new ATOM 296 N GLU A 20 6.388 7.247 -6.803 1.00 35.32 N ATOM 297 CA GLU A 20 5.582 8.497 -6.781 1.00 61.31 C ATOM 298 C GLU A 20 4.076 8.193 -6.663 1.00 15.11 C ATOM 299 O GLU A 20 3.371 8.797 -5.836 1.00 4.32 O ATOM 300 CB GLU A 20 5.837 9.351 -8.057 1.00 64.04 C ATOM 301 CG GLU A 20 7.260 9.915 -8.178 1.00 22.23 C ATOM 302 CD GLU A 20 7.472 10.704 -9.478 1.00 70.42 C ATOM 303 OE1 GLU A 20 7.115 11.904 -9.519 1.00 1.43 O ATOM 304 OE2 GLU A 20 7.986 10.133 -10.468 1.00 44.04 O ATOM 0 H GLU A 20 6.979 7.160 -7.630 1.00 35.32 H new ATOM 0 HA GLU A 20 5.896 9.063 -5.904 1.00 61.31 H new ATOM 0 HB2 GLU A 20 5.627 8.740 -8.935 1.00 64.04 H new ATOM 0 HB3 GLU A 20 5.130 10.180 -8.070 1.00 64.04 H new ATOM 0 HG2 GLU A 20 7.464 10.564 -7.326 1.00 22.23 H new ATOM 0 HG3 GLU A 20 7.977 9.095 -8.133 1.00 22.23 H new ATOM 311 N ILE A 21 3.610 7.239 -7.490 1.00 65.30 N ATOM 312 CA ILE A 21 2.205 6.824 -7.524 1.00 42.11 C ATOM 313 C ILE A 21 1.814 6.154 -6.190 1.00 1.44 C ATOM 314 O ILE A 21 0.880 6.608 -5.535 1.00 22.34 O ATOM 315 CB ILE A 21 1.906 5.870 -8.749 1.00 10.45 C ATOM 316 CG1 ILE A 21 2.208 6.606 -10.100 1.00 12.10 C ATOM 317 CG2 ILE A 21 0.441 5.360 -8.718 1.00 64.22 C ATOM 318 CD1 ILE A 21 2.081 5.738 -11.345 1.00 54.20 C ATOM 0 H ILE A 21 4.202 6.737 -8.152 1.00 65.30 H new ATOM 0 HA ILE A 21 1.594 7.717 -7.658 1.00 42.11 H new ATOM 0 HB ILE A 21 2.562 5.003 -8.671 1.00 10.45 H new ATOM 0 HG12 ILE A 21 1.529 7.454 -10.195 1.00 12.10 H new ATOM 0 HG13 ILE A 21 3.219 7.011 -10.058 1.00 12.10 H new ATOM 0 HG21 ILE A 21 0.265 4.706 -9.572 1.00 64.22 H new ATOM 0 HG22 ILE A 21 0.268 4.806 -7.796 1.00 64.22 H new ATOM 0 HG23 ILE A 21 -0.241 6.209 -8.764 1.00 64.22 H new ATOM 0 HD11 ILE A 21 2.309 6.334 -12.229 1.00 54.20 H new ATOM 0 HD12 ILE A 21 2.780 4.904 -11.280 1.00 54.20 H new ATOM 0 HD13 ILE A 21 1.064 5.354 -11.419 1.00 54.20 H new ATOM 330 N VAL A 22 2.572 5.117 -5.770 1.00 11.50 N ATOM 331 CA VAL A 22 2.271 4.346 -4.544 1.00 31.22 C ATOM 332 C VAL A 22 2.246 5.259 -3.288 1.00 15.24 C ATOM 333 O VAL A 22 1.298 5.193 -2.510 1.00 71.12 O ATOM 334 CB VAL A 22 3.273 3.135 -4.358 1.00 74.15 C ATOM 335 CG1 VAL A 22 3.094 2.423 -3.000 1.00 62.43 C ATOM 336 CG2 VAL A 22 3.102 2.113 -5.504 1.00 33.41 C ATOM 0 H VAL A 22 3.402 4.793 -6.266 1.00 11.50 H new ATOM 0 HA VAL A 22 1.272 3.927 -4.663 1.00 31.22 H new ATOM 0 HB VAL A 22 4.279 3.554 -4.382 1.00 74.15 H new ATOM 0 HG11 VAL A 22 3.805 1.601 -2.924 1.00 62.43 H new ATOM 0 HG12 VAL A 22 3.271 3.132 -2.191 1.00 62.43 H new ATOM 0 HG13 VAL A 22 2.079 2.033 -2.925 1.00 62.43 H new ATOM 0 HG21 VAL A 22 3.798 1.287 -5.361 1.00 33.41 H new ATOM 0 HG22 VAL A 22 2.081 1.732 -5.502 1.00 33.41 H new ATOM 0 HG23 VAL A 22 3.306 2.599 -6.458 1.00 33.41 H new ATOM 346 N LYS A 23 3.248 6.160 -3.145 1.00 72.20 N ATOM 347 CA LYS A 23 3.324 7.113 -2.002 1.00 15.14 C ATOM 348 C LYS A 23 2.090 8.036 -1.956 1.00 25.42 C ATOM 349 O LYS A 23 1.464 8.193 -0.891 1.00 41.25 O ATOM 350 CB LYS A 23 4.615 7.983 -2.053 1.00 74.20 C ATOM 351 CG LYS A 23 5.920 7.227 -1.761 1.00 73.43 C ATOM 352 CD LYS A 23 7.190 8.125 -1.761 1.00 71.52 C ATOM 353 CE LYS A 23 7.273 9.111 -0.575 1.00 11.45 C ATOM 354 NZ LYS A 23 6.337 10.264 -0.695 1.00 65.44 N ATOM 0 H LYS A 23 4.019 6.250 -3.807 1.00 72.20 H new ATOM 0 HA LYS A 23 3.351 6.505 -1.098 1.00 15.14 H new ATOM 0 HB2 LYS A 23 4.690 8.438 -3.041 1.00 74.20 H new ATOM 0 HB3 LYS A 23 4.515 8.796 -1.334 1.00 74.20 H new ATOM 0 HG2 LYS A 23 5.834 6.738 -0.791 1.00 73.43 H new ATOM 0 HG3 LYS A 23 6.045 6.440 -2.505 1.00 73.43 H new ATOM 0 HD2 LYS A 23 8.073 7.485 -1.749 1.00 71.52 H new ATOM 0 HD3 LYS A 23 7.220 8.692 -2.692 1.00 71.52 H new ATOM 0 HE2 LYS A 23 7.059 8.574 0.349 1.00 11.45 H new ATOM 0 HE3 LYS A 23 8.293 9.488 -0.496 1.00 11.45 H new ATOM 0 HZ1 LYS A 23 6.845 11.147 -0.486 1.00 65.44 H new ATOM 0 HZ2 LYS A 23 5.957 10.304 -1.662 1.00 65.44 H new ATOM 0 HZ3 LYS A 23 5.554 10.147 -0.020 1.00 65.44 H new ATOM 368 N ARG A 24 1.761 8.646 -3.124 1.00 55.32 N ATOM 369 CA ARG A 24 0.553 9.484 -3.293 1.00 64.05 C ATOM 370 C ARG A 24 -0.678 8.747 -2.759 1.00 71.12 C ATOM 371 O ARG A 24 -1.359 9.222 -1.846 1.00 41.21 O ATOM 372 CB ARG A 24 0.331 9.824 -4.805 1.00 62.33 C ATOM 373 CG ARG A 24 -1.087 10.367 -5.160 1.00 72.35 C ATOM 374 CD ARG A 24 -1.443 10.224 -6.658 1.00 20.32 C ATOM 375 NE ARG A 24 -2.909 10.272 -6.882 1.00 72.15 N ATOM 376 CZ ARG A 24 -3.635 9.377 -7.582 1.00 4.11 C ATOM 377 NH1 ARG A 24 -3.058 8.331 -8.179 1.00 54.21 N ATOM 378 NH2 ARG A 24 -4.956 9.513 -7.649 1.00 74.33 N ATOM 0 H ARG A 24 2.326 8.569 -3.970 1.00 55.32 H new ATOM 0 HA ARG A 24 0.697 10.408 -2.733 1.00 64.05 H new ATOM 0 HB2 ARG A 24 1.072 10.563 -5.108 1.00 62.33 H new ATOM 0 HB3 ARG A 24 0.517 8.926 -5.394 1.00 62.33 H new ATOM 0 HG2 ARG A 24 -1.830 9.836 -4.565 1.00 72.35 H new ATOM 0 HG3 ARG A 24 -1.146 11.419 -4.879 1.00 72.35 H new ATOM 0 HD2 ARG A 24 -0.962 11.022 -7.224 1.00 20.32 H new ATOM 0 HD3 ARG A 24 -1.048 9.282 -7.037 1.00 20.32 H new ATOM 0 HE ARG A 24 -3.415 11.055 -6.468 1.00 72.15 H new ATOM 0 HH11 ARG A 24 -2.049 8.197 -8.110 1.00 54.21 H new ATOM 0 HH12 ARG A 24 -3.626 7.666 -8.704 1.00 54.21 H new ATOM 0 HH21 ARG A 24 -5.413 10.290 -7.173 1.00 74.33 H new ATOM 0 HH22 ARG A 24 -5.512 8.840 -8.177 1.00 74.33 H new ATOM 392 N VAL A 25 -0.891 7.553 -3.321 1.00 63.32 N ATOM 393 CA VAL A 25 -2.118 6.799 -3.153 1.00 41.21 C ATOM 394 C VAL A 25 -2.285 6.302 -1.706 1.00 20.03 C ATOM 395 O VAL A 25 -3.372 6.411 -1.169 1.00 44.43 O ATOM 396 CB VAL A 25 -2.195 5.614 -4.175 1.00 64.42 C ATOM 397 CG1 VAL A 25 -3.483 4.803 -3.979 1.00 31.31 C ATOM 398 CG2 VAL A 25 -2.110 6.136 -5.627 1.00 32.44 C ATOM 0 H VAL A 25 -0.203 7.085 -3.911 1.00 63.32 H new ATOM 0 HA VAL A 25 -2.949 7.474 -3.360 1.00 41.21 H new ATOM 0 HB VAL A 25 -1.344 4.959 -3.990 1.00 64.42 H new ATOM 0 HG11 VAL A 25 -3.512 3.987 -4.701 1.00 31.31 H new ATOM 0 HG12 VAL A 25 -3.506 4.395 -2.968 1.00 31.31 H new ATOM 0 HG13 VAL A 25 -4.347 5.450 -4.129 1.00 31.31 H new ATOM 0 HG21 VAL A 25 -2.165 5.296 -6.319 1.00 32.44 H new ATOM 0 HG22 VAL A 25 -2.938 6.818 -5.817 1.00 32.44 H new ATOM 0 HG23 VAL A 25 -1.166 6.662 -5.770 1.00 32.44 H new ATOM 408 N ILE A 26 -1.195 5.803 -1.068 1.00 13.23 N ATOM 409 CA ILE A 26 -1.256 5.318 0.337 1.00 64.22 C ATOM 410 C ILE A 26 -1.584 6.482 1.287 1.00 40.43 C ATOM 411 O ILE A 26 -2.288 6.295 2.271 1.00 34.23 O ATOM 412 CB ILE A 26 0.073 4.638 0.838 1.00 65.14 C ATOM 413 CG1 ILE A 26 0.483 3.459 -0.079 1.00 23.20 C ATOM 414 CG2 ILE A 26 -0.073 4.132 2.307 1.00 12.41 C ATOM 415 CD1 ILE A 26 1.847 2.898 0.251 1.00 32.12 C ATOM 0 H ILE A 26 -0.273 5.726 -1.498 1.00 13.23 H new ATOM 0 HA ILE A 26 -2.039 4.559 0.347 1.00 64.22 H new ATOM 0 HB ILE A 26 0.854 5.397 0.802 1.00 65.14 H new ATOM 0 HG12 ILE A 26 -0.260 2.666 0.005 1.00 23.20 H new ATOM 0 HG13 ILE A 26 0.476 3.794 -1.116 1.00 23.20 H new ATOM 0 HG21 ILE A 26 0.860 3.667 2.626 1.00 12.41 H new ATOM 0 HG22 ILE A 26 -0.301 4.974 2.961 1.00 12.41 H new ATOM 0 HG23 ILE A 26 -0.880 3.401 2.362 1.00 12.41 H new ATOM 0 HD11 ILE A 26 2.076 2.075 -0.426 1.00 32.12 H new ATOM 0 HD12 ILE A 26 2.599 3.680 0.139 1.00 32.12 H new ATOM 0 HD13 ILE A 26 1.852 2.534 1.278 1.00 32.12 H new ATOM 427 N ASP A 27 -1.063 7.687 0.961 1.00 25.02 N ATOM 428 CA ASP A 27 -1.313 8.912 1.751 1.00 4.54 C ATOM 429 C ASP A 27 -2.803 9.324 1.629 1.00 51.03 C ATOM 430 O ASP A 27 -3.392 9.874 2.570 1.00 63.10 O ATOM 431 CB ASP A 27 -0.351 10.048 1.289 1.00 60.30 C ATOM 432 CG ASP A 27 -0.169 11.157 2.346 1.00 1.51 C ATOM 433 OD1 ASP A 27 0.702 11.010 3.239 1.00 52.45 O ATOM 434 OD2 ASP A 27 -0.867 12.186 2.281 1.00 73.01 O ATOM 0 H ASP A 27 -0.463 7.836 0.150 1.00 25.02 H new ATOM 0 HA ASP A 27 -1.111 8.719 2.805 1.00 4.54 H new ATOM 0 HB2 ASP A 27 0.622 9.618 1.052 1.00 60.30 H new ATOM 0 HB3 ASP A 27 -0.736 10.490 0.370 1.00 60.30 H new ATOM 439 N GLU A 28 -3.409 8.999 0.462 1.00 13.50 N ATOM 440 CA GLU A 28 -4.854 9.192 0.215 1.00 4.32 C ATOM 441 C GLU A 28 -5.694 8.103 0.918 1.00 41.31 C ATOM 442 O GLU A 28 -6.783 8.393 1.430 1.00 35.14 O ATOM 443 CB GLU A 28 -5.162 9.192 -1.306 1.00 74.34 C ATOM 444 CG GLU A 28 -4.392 10.242 -2.126 1.00 4.15 C ATOM 445 CD GLU A 28 -4.520 11.667 -1.568 1.00 4.22 C ATOM 446 OE1 GLU A 28 -5.583 12.293 -1.739 1.00 33.13 O ATOM 447 OE2 GLU A 28 -3.564 12.166 -0.944 1.00 33.43 O ATOM 0 H GLU A 28 -2.909 8.597 -0.331 1.00 13.50 H new ATOM 0 HA GLU A 28 -5.127 10.162 0.631 1.00 4.32 H new ATOM 0 HB2 GLU A 28 -4.937 8.204 -1.707 1.00 74.34 H new ATOM 0 HB3 GLU A 28 -6.230 9.357 -1.445 1.00 74.34 H new ATOM 0 HG2 GLU A 28 -3.338 9.966 -2.158 1.00 4.15 H new ATOM 0 HG3 GLU A 28 -4.756 10.228 -3.153 1.00 4.15 H new ATOM 454 N VAL A 29 -5.190 6.844 0.922 1.00 22.43 N ATOM 455 CA VAL A 29 -5.862 5.716 1.598 1.00 74.53 C ATOM 456 C VAL A 29 -5.818 5.929 3.115 1.00 65.54 C ATOM 457 O VAL A 29 -6.756 5.601 3.825 1.00 73.50 O ATOM 458 CB VAL A 29 -5.236 4.302 1.262 1.00 13.23 C ATOM 459 CG1 VAL A 29 -6.031 3.159 1.945 1.00 63.40 C ATOM 460 CG2 VAL A 29 -5.174 4.063 -0.254 1.00 32.31 C ATOM 0 H VAL A 29 -4.317 6.588 0.461 1.00 22.43 H new ATOM 0 HA VAL A 29 -6.886 5.705 1.225 1.00 74.53 H new ATOM 0 HB VAL A 29 -4.219 4.301 1.654 1.00 13.23 H new ATOM 0 HG11 VAL A 29 -5.577 2.200 1.695 1.00 63.40 H new ATOM 0 HG12 VAL A 29 -6.013 3.299 3.026 1.00 63.40 H new ATOM 0 HG13 VAL A 29 -7.063 3.174 1.595 1.00 63.40 H new ATOM 0 HG21 VAL A 29 -4.739 3.083 -0.450 1.00 32.31 H new ATOM 0 HG22 VAL A 29 -6.181 4.103 -0.670 1.00 32.31 H new ATOM 0 HG23 VAL A 29 -4.558 4.833 -0.719 1.00 32.31 H new ATOM 470 N GLU A 30 -4.720 6.521 3.581 1.00 65.43 N ATOM 471 CA GLU A 30 -4.479 6.760 5.001 1.00 2.33 C ATOM 472 C GLU A 30 -5.470 7.785 5.539 1.00 1.10 C ATOM 473 O GLU A 30 -6.118 7.532 6.550 1.00 71.12 O ATOM 474 CB GLU A 30 -3.012 7.200 5.234 1.00 65.41 C ATOM 475 CG GLU A 30 -2.626 7.448 6.721 1.00 42.40 C ATOM 476 CD GLU A 30 -2.350 8.928 7.039 1.00 52.10 C ATOM 477 OE1 GLU A 30 -3.298 9.660 7.386 1.00 42.35 O ATOM 478 OE2 GLU A 30 -1.175 9.359 6.954 1.00 5.34 O ATOM 0 H GLU A 30 -3.967 6.851 2.978 1.00 65.43 H new ATOM 0 HA GLU A 30 -4.633 5.831 5.550 1.00 2.33 H new ATOM 0 HB2 GLU A 30 -2.351 6.436 4.826 1.00 65.41 H new ATOM 0 HB3 GLU A 30 -2.829 8.115 4.670 1.00 65.41 H new ATOM 0 HG2 GLU A 30 -3.431 7.090 7.363 1.00 42.40 H new ATOM 0 HG3 GLU A 30 -1.740 6.860 6.962 1.00 42.40 H new ATOM 485 N ARG A 31 -5.642 8.901 4.801 1.00 60.25 N ATOM 486 CA ARG A 31 -6.496 10.011 5.239 1.00 72.22 C ATOM 487 C ARG A 31 -7.987 9.595 5.253 1.00 73.12 C ATOM 488 O ARG A 31 -8.749 10.059 6.105 1.00 72.44 O ATOM 489 CB ARG A 31 -6.269 11.279 4.362 1.00 31.20 C ATOM 490 CG ARG A 31 -6.875 11.245 2.939 1.00 24.45 C ATOM 491 CD ARG A 31 -6.688 12.575 2.168 1.00 42.41 C ATOM 492 NE ARG A 31 -5.321 12.767 1.645 1.00 41.34 N ATOM 493 CZ ARG A 31 -4.338 13.475 2.225 1.00 13.34 C ATOM 494 NH1 ARG A 31 -4.511 14.087 3.397 1.00 13.21 N ATOM 495 NH2 ARG A 31 -3.176 13.578 1.604 1.00 23.33 N ATOM 0 H ARG A 31 -5.196 9.052 3.896 1.00 60.25 H new ATOM 0 HA ARG A 31 -6.214 10.265 6.261 1.00 72.22 H new ATOM 0 HB2 ARG A 31 -6.682 12.139 4.890 1.00 31.20 H new ATOM 0 HB3 ARG A 31 -5.196 11.446 4.273 1.00 31.20 H new ATOM 0 HG2 ARG A 31 -6.413 10.436 2.373 1.00 24.45 H new ATOM 0 HG3 ARG A 31 -7.939 11.019 3.009 1.00 24.45 H new ATOM 0 HD2 ARG A 31 -7.394 12.606 1.338 1.00 42.41 H new ATOM 0 HD3 ARG A 31 -6.936 13.406 2.828 1.00 42.41 H new ATOM 0 HE ARG A 31 -5.101 12.318 0.756 1.00 41.34 H new ATOM 0 HH11 ARG A 31 -5.409 14.024 3.877 1.00 13.21 H new ATOM 0 HH12 ARG A 31 -3.746 14.618 3.813 1.00 13.21 H new ATOM 0 HH21 ARG A 31 -3.038 13.124 0.701 1.00 23.33 H new ATOM 0 HH22 ARG A 31 -2.417 14.111 2.028 1.00 23.33 H new ATOM 509 N GLU A 32 -8.388 8.694 4.316 1.00 25.42 N ATOM 510 CA GLU A 32 -9.768 8.156 4.277 1.00 2.43 C ATOM 511 C GLU A 32 -9.956 7.064 5.350 1.00 4.31 C ATOM 512 O GLU A 32 -11.049 6.911 5.895 1.00 63.01 O ATOM 513 CB GLU A 32 -10.164 7.645 2.851 1.00 64.31 C ATOM 514 CG GLU A 32 -9.399 6.406 2.336 1.00 44.13 C ATOM 515 CD GLU A 32 -9.792 5.967 0.906 1.00 44.10 C ATOM 516 OE1 GLU A 32 -10.950 5.547 0.712 1.00 41.13 O ATOM 517 OE2 GLU A 32 -8.940 6.014 -0.023 1.00 12.00 O ATOM 0 H GLU A 32 -7.778 8.330 3.585 1.00 25.42 H new ATOM 0 HA GLU A 32 -10.448 8.976 4.508 1.00 2.43 H new ATOM 0 HB2 GLU A 32 -11.229 7.414 2.853 1.00 64.31 H new ATOM 0 HB3 GLU A 32 -10.016 8.459 2.141 1.00 64.31 H new ATOM 0 HG2 GLU A 32 -8.330 6.618 2.358 1.00 44.13 H new ATOM 0 HG3 GLU A 32 -9.573 5.575 3.020 1.00 44.13 H new ATOM 524 N VAL A 33 -8.867 6.334 5.670 1.00 23.01 N ATOM 525 CA VAL A 33 -8.851 5.335 6.762 1.00 4.33 C ATOM 526 C VAL A 33 -8.897 6.034 8.134 1.00 32.43 C ATOM 527 O VAL A 33 -9.436 5.479 9.069 1.00 24.15 O ATOM 528 CB VAL A 33 -7.619 4.341 6.627 1.00 10.41 C ATOM 529 CG1 VAL A 33 -7.246 3.621 7.950 1.00 14.13 C ATOM 530 CG2 VAL A 33 -7.905 3.295 5.516 1.00 63.04 C ATOM 0 H VAL A 33 -7.976 6.419 5.181 1.00 23.01 H new ATOM 0 HA VAL A 33 -9.748 4.721 6.679 1.00 4.33 H new ATOM 0 HB VAL A 33 -6.758 4.954 6.361 1.00 10.41 H new ATOM 0 HG11 VAL A 33 -6.397 2.960 7.778 1.00 14.13 H new ATOM 0 HG12 VAL A 33 -6.982 4.361 8.705 1.00 14.13 H new ATOM 0 HG13 VAL A 33 -8.097 3.035 8.298 1.00 14.13 H new ATOM 0 HG21 VAL A 33 -7.057 2.616 5.428 1.00 63.04 H new ATOM 0 HG22 VAL A 33 -8.799 2.727 5.773 1.00 63.04 H new ATOM 0 HG23 VAL A 33 -8.060 3.806 4.566 1.00 63.04 H new ATOM 540 N GLN A 34 -8.394 7.278 8.245 1.00 54.12 N ATOM 541 CA GLN A 34 -8.497 8.055 9.510 1.00 13.02 C ATOM 542 C GLN A 34 -9.958 8.474 9.786 1.00 14.34 C ATOM 543 O GLN A 34 -10.301 8.853 10.911 1.00 25.54 O ATOM 544 CB GLN A 34 -7.591 9.317 9.496 1.00 4.22 C ATOM 545 CG GLN A 34 -6.095 9.055 9.239 1.00 25.44 C ATOM 546 CD GLN A 34 -5.506 7.879 10.029 1.00 74.41 C ATOM 547 OE1 GLN A 34 -5.040 8.040 11.154 1.00 25.13 O ATOM 548 NE2 GLN A 34 -5.508 6.696 9.434 1.00 4.44 N ATOM 0 H GLN A 34 -7.917 7.768 7.488 1.00 54.12 H new ATOM 0 HA GLN A 34 -8.153 7.397 10.308 1.00 13.02 H new ATOM 0 HB2 GLN A 34 -7.960 9.999 8.730 1.00 4.22 H new ATOM 0 HB3 GLN A 34 -7.694 9.827 10.454 1.00 4.22 H new ATOM 0 HG2 GLN A 34 -5.950 8.869 8.175 1.00 25.44 H new ATOM 0 HG3 GLN A 34 -5.535 9.957 9.484 1.00 25.44 H new ATOM 0 HE21 GLN A 34 -5.903 6.596 8.499 1.00 4.44 H new ATOM 0 HE22 GLN A 34 -5.115 5.885 9.911 1.00 4.44 H new ATOM 557 N LYS A 35 -10.787 8.421 8.728 1.00 0.40 N ATOM 558 CA LYS A 35 -12.214 8.771 8.789 1.00 33.04 C ATOM 559 C LYS A 35 -13.077 7.525 9.052 1.00 73.21 C ATOM 560 O LYS A 35 -14.101 7.615 9.734 1.00 35.15 O ATOM 561 CB LYS A 35 -12.644 9.461 7.466 1.00 64.01 C ATOM 562 CG LYS A 35 -11.797 10.700 7.130 1.00 31.52 C ATOM 563 CD LYS A 35 -12.256 11.450 5.861 1.00 43.02 C ATOM 564 CE LYS A 35 -11.407 12.710 5.605 1.00 45.03 C ATOM 565 NZ LYS A 35 -11.923 13.528 4.473 1.00 22.50 N ATOM 0 H LYS A 35 -10.481 8.131 7.799 1.00 0.40 H new ATOM 0 HA LYS A 35 -12.366 9.463 9.617 1.00 33.04 H new ATOM 0 HB2 LYS A 35 -12.569 8.744 6.648 1.00 64.01 H new ATOM 0 HB3 LYS A 35 -13.692 9.753 7.539 1.00 64.01 H new ATOM 0 HG2 LYS A 35 -11.826 11.387 7.976 1.00 31.52 H new ATOM 0 HG3 LYS A 35 -10.759 10.394 7.003 1.00 31.52 H new ATOM 0 HD2 LYS A 35 -12.188 10.784 5.000 1.00 43.02 H new ATOM 0 HD3 LYS A 35 -13.304 11.732 5.964 1.00 43.02 H new ATOM 0 HE2 LYS A 35 -11.386 13.319 6.509 1.00 45.03 H new ATOM 0 HE3 LYS A 35 -10.379 12.415 5.396 1.00 45.03 H new ATOM 0 HZ1 LYS A 35 -11.317 14.363 4.343 1.00 22.50 H new ATOM 0 HZ2 LYS A 35 -11.919 12.958 3.603 1.00 22.50 H new ATOM 0 HZ3 LYS A 35 -12.895 13.835 4.681 1.00 22.50 H new ATOM 579 N GLN A 36 -12.666 6.371 8.485 1.00 71.31 N ATOM 580 CA GLN A 36 -13.422 5.106 8.610 1.00 43.31 C ATOM 581 C GLN A 36 -12.953 4.320 9.852 1.00 40.50 C ATOM 582 O GLN A 36 -13.761 3.920 10.690 1.00 75.33 O ATOM 583 CB GLN A 36 -13.259 4.244 7.321 1.00 31.11 C ATOM 584 CG GLN A 36 -13.603 4.983 6.005 1.00 22.34 C ATOM 585 CD GLN A 36 -15.003 5.616 5.972 1.00 44.33 C ATOM 586 OE1 GLN A 36 -15.953 5.111 6.572 1.00 13.23 O ATOM 587 NE2 GLN A 36 -15.136 6.734 5.273 1.00 12.31 N ATOM 0 H GLN A 36 -11.811 6.289 7.934 1.00 71.31 H new ATOM 0 HA GLN A 36 -14.479 5.344 8.732 1.00 43.31 H new ATOM 0 HB2 GLN A 36 -12.230 3.889 7.265 1.00 31.11 H new ATOM 0 HB3 GLN A 36 -13.896 3.364 7.405 1.00 31.11 H new ATOM 0 HG2 GLN A 36 -12.862 5.764 5.838 1.00 22.34 H new ATOM 0 HG3 GLN A 36 -13.517 4.280 5.176 1.00 22.34 H new ATOM 0 HE21 GLN A 36 -14.332 7.130 4.786 1.00 12.31 H new ATOM 0 HE22 GLN A 36 -16.043 7.199 5.222 1.00 12.31 H new ATOM 596 N TYR A 37 -11.634 4.100 9.940 1.00 62.24 N ATOM 597 CA TYR A 37 -10.974 3.401 11.066 1.00 0.43 C ATOM 598 C TYR A 37 -10.119 4.428 11.874 1.00 71.14 C ATOM 599 O TYR A 37 -8.908 4.538 11.634 1.00 62.25 O ATOM 600 CB TYR A 37 -10.064 2.257 10.523 1.00 11.03 C ATOM 601 CG TYR A 37 -10.673 1.350 9.434 1.00 21.12 C ATOM 602 CD1 TYR A 37 -10.607 1.700 8.074 1.00 52.22 C ATOM 603 CD2 TYR A 37 -11.269 0.124 9.748 1.00 55.22 C ATOM 604 CE1 TYR A 37 -11.128 0.877 7.088 1.00 22.42 C ATOM 605 CE2 TYR A 37 -11.785 -0.702 8.759 1.00 61.33 C ATOM 606 CZ TYR A 37 -11.709 -0.324 7.435 1.00 23.41 C ATOM 607 OH TYR A 37 -12.223 -1.155 6.460 1.00 73.44 O ATOM 0 H TYR A 37 -10.979 4.406 9.221 1.00 62.24 H new ATOM 0 HA TYR A 37 -11.730 2.964 11.718 1.00 0.43 H new ATOM 0 HB2 TYR A 37 -9.154 2.705 10.124 1.00 11.03 H new ATOM 0 HB3 TYR A 37 -9.768 1.629 11.363 1.00 11.03 H new ATOM 0 HD1 TYR A 37 -10.140 2.632 7.791 1.00 52.22 H new ATOM 0 HD2 TYR A 37 -11.329 -0.186 10.781 1.00 55.22 H new ATOM 0 HE1 TYR A 37 -11.079 1.176 6.051 1.00 22.42 H new ATOM 0 HE2 TYR A 37 -12.246 -1.641 9.027 1.00 61.33 H new ATOM 0 HH TYR A 37 -12.089 -0.747 5.579 1.00 73.44 H new ATOM 617 N PRO A 38 -10.725 5.200 12.832 1.00 14.34 N ATOM 618 CA PRO A 38 -10.063 6.393 13.439 1.00 65.21 C ATOM 619 C PRO A 38 -8.820 6.072 14.300 1.00 52.30 C ATOM 620 O PRO A 38 -7.938 6.926 14.450 1.00 54.12 O ATOM 621 CB PRO A 38 -11.195 7.032 14.285 1.00 51.11 C ATOM 622 CG PRO A 38 -12.110 5.890 14.621 1.00 53.14 C ATOM 623 CD PRO A 38 -12.086 4.985 13.404 1.00 33.24 C ATOM 0 HA PRO A 38 -9.655 7.050 12.670 1.00 65.21 H new ATOM 0 HB2 PRO A 38 -10.800 7.501 15.186 1.00 51.11 H new ATOM 0 HB3 PRO A 38 -11.718 7.807 13.725 1.00 51.11 H new ATOM 0 HG2 PRO A 38 -11.768 5.361 15.511 1.00 53.14 H new ATOM 0 HG3 PRO A 38 -13.120 6.243 14.828 1.00 53.14 H new ATOM 0 HD2 PRO A 38 -12.246 3.942 13.677 1.00 33.24 H new ATOM 0 HD3 PRO A 38 -12.867 5.251 12.691 1.00 33.24 H new ATOM 631 N ASN A 39 -8.758 4.851 14.864 1.00 32.11 N ATOM 632 CA ASN A 39 -7.635 4.418 15.739 1.00 64.44 C ATOM 633 C ASN A 39 -6.643 3.520 14.979 1.00 24.42 C ATOM 634 O ASN A 39 -5.722 2.954 15.583 1.00 62.42 O ATOM 635 CB ASN A 39 -8.174 3.687 16.999 1.00 73.10 C ATOM 636 CG ASN A 39 -9.131 4.554 17.821 1.00 3.51 C ATOM 637 OD1 ASN A 39 -10.329 4.601 17.543 1.00 40.44 O ATOM 638 ND2 ASN A 39 -8.618 5.245 18.831 1.00 73.51 N ATOM 0 H ASN A 39 -9.475 4.137 14.732 1.00 32.11 H new ATOM 0 HA ASN A 39 -7.099 5.313 16.056 1.00 64.44 H new ATOM 0 HB2 ASN A 39 -8.688 2.776 16.693 1.00 73.10 H new ATOM 0 HB3 ASN A 39 -7.335 3.385 17.626 1.00 73.10 H new ATOM 0 HD21 ASN A 39 -9.221 5.837 19.403 1.00 73.51 H new ATOM 0 HD22 ASN A 39 -7.621 5.185 19.036 1.00 73.51 H new ATOM 645 N ALA A 40 -6.820 3.398 13.653 1.00 4.35 N ATOM 646 CA ALA A 40 -5.930 2.601 12.795 1.00 2.12 C ATOM 647 C ALA A 40 -4.902 3.513 12.107 1.00 44.22 C ATOM 648 O ALA A 40 -5.270 4.471 11.421 1.00 32.22 O ATOM 649 CB ALA A 40 -6.745 1.822 11.765 1.00 2.23 C ATOM 0 H ALA A 40 -7.583 3.848 13.147 1.00 4.35 H new ATOM 0 HA ALA A 40 -5.391 1.883 13.413 1.00 2.12 H new ATOM 0 HB1 ALA A 40 -6.073 1.237 11.137 1.00 2.23 H new ATOM 0 HB2 ALA A 40 -7.437 1.154 12.278 1.00 2.23 H new ATOM 0 HB3 ALA A 40 -7.308 2.519 11.144 1.00 2.23 H new ATOM 655 N THR A 41 -3.615 3.197 12.300 1.00 71.44 N ATOM 656 CA THR A 41 -2.486 3.998 11.816 1.00 61.35 C ATOM 657 C THR A 41 -1.683 3.204 10.765 1.00 25.22 C ATOM 658 O THR A 41 -1.200 2.101 11.047 1.00 24.43 O ATOM 659 CB THR A 41 -1.584 4.385 13.030 1.00 33.45 C ATOM 660 OG1 THR A 41 -2.367 5.125 13.985 1.00 63.35 O ATOM 661 CG2 THR A 41 -0.355 5.215 12.620 1.00 23.12 C ATOM 0 H THR A 41 -3.325 2.361 12.807 1.00 71.44 H new ATOM 0 HA THR A 41 -2.853 4.907 11.339 1.00 61.35 H new ATOM 0 HB THR A 41 -1.213 3.459 13.468 1.00 33.45 H new ATOM 0 HG1 THR A 41 -1.805 5.369 14.750 1.00 63.35 H new ATOM 0 HG21 THR A 41 0.234 5.454 13.505 1.00 23.12 H new ATOM 0 HG22 THR A 41 0.255 4.641 11.922 1.00 23.12 H new ATOM 0 HG23 THR A 41 -0.682 6.138 12.142 1.00 23.12 H new ATOM 669 N ILE A 42 -1.566 3.774 9.555 1.00 35.31 N ATOM 670 CA ILE A 42 -0.806 3.169 8.449 1.00 5.34 C ATOM 671 C ILE A 42 0.626 3.731 8.438 1.00 33.51 C ATOM 672 O ILE A 42 0.846 4.892 8.087 1.00 50.43 O ATOM 673 CB ILE A 42 -1.486 3.436 7.053 1.00 73.41 C ATOM 674 CG1 ILE A 42 -2.978 2.978 7.077 1.00 54.42 C ATOM 675 CG2 ILE A 42 -0.696 2.731 5.913 1.00 72.32 C ATOM 676 CD1 ILE A 42 -3.740 3.253 5.797 1.00 11.44 C ATOM 0 H ILE A 42 -1.996 4.668 9.316 1.00 35.31 H new ATOM 0 HA ILE A 42 -0.787 2.091 8.611 1.00 5.34 H new ATOM 0 HB ILE A 42 -1.467 4.508 6.856 1.00 73.41 H new ATOM 0 HG12 ILE A 42 -3.013 1.908 7.283 1.00 54.42 H new ATOM 0 HG13 ILE A 42 -3.485 3.479 7.902 1.00 54.42 H new ATOM 0 HG21 ILE A 42 -1.182 2.928 4.958 1.00 72.32 H new ATOM 0 HG22 ILE A 42 0.324 3.114 5.887 1.00 72.32 H new ATOM 0 HG23 ILE A 42 -0.676 1.656 6.095 1.00 72.32 H new ATOM 0 HD11 ILE A 42 -4.767 2.903 5.902 1.00 11.44 H new ATOM 0 HD12 ILE A 42 -3.741 4.325 5.597 1.00 11.44 H new ATOM 0 HD13 ILE A 42 -3.261 2.730 4.969 1.00 11.44 H new ATOM 688 N THR A 43 1.579 2.916 8.876 1.00 52.05 N ATOM 689 CA THR A 43 3.011 3.182 8.724 1.00 55.45 C ATOM 690 C THR A 43 3.471 2.559 7.401 1.00 2.45 C ATOM 691 O THR A 43 3.159 1.410 7.129 1.00 13.41 O ATOM 692 CB THR A 43 3.797 2.583 9.933 1.00 24.50 C ATOM 693 OG1 THR A 43 3.338 3.210 11.146 1.00 14.43 O ATOM 694 CG2 THR A 43 5.322 2.756 9.809 1.00 34.22 C ATOM 0 H THR A 43 1.379 2.038 9.354 1.00 52.05 H new ATOM 0 HA THR A 43 3.204 4.255 8.707 1.00 55.45 H new ATOM 0 HB THR A 43 3.603 1.510 9.948 1.00 24.50 H new ATOM 0 HG1 THR A 43 3.825 2.838 11.911 1.00 14.43 H new ATOM 0 HG21 THR A 43 5.810 2.319 10.680 1.00 34.22 H new ATOM 0 HG22 THR A 43 5.673 2.255 8.907 1.00 34.22 H new ATOM 0 HG23 THR A 43 5.564 3.817 9.752 1.00 34.22 H new ATOM 702 N ARG A 44 4.172 3.328 6.558 1.00 43.01 N ATOM 703 CA ARG A 44 4.626 2.845 5.244 1.00 62.13 C ATOM 704 C ARG A 44 6.008 3.405 4.908 1.00 52.44 C ATOM 705 O ARG A 44 6.302 4.574 5.187 1.00 34.41 O ATOM 706 CB ARG A 44 3.607 3.168 4.107 1.00 4.45 C ATOM 707 CG ARG A 44 3.303 4.669 3.840 1.00 31.20 C ATOM 708 CD ARG A 44 2.431 5.329 4.930 1.00 11.32 C ATOM 709 NE ARG A 44 1.940 6.648 4.510 1.00 54.50 N ATOM 710 CZ ARG A 44 1.098 7.423 5.206 1.00 20.12 C ATOM 711 NH1 ARG A 44 0.638 7.042 6.388 1.00 10.43 N ATOM 712 NH2 ARG A 44 0.697 8.579 4.711 1.00 11.43 N ATOM 0 H ARG A 44 4.439 4.291 6.762 1.00 43.01 H new ATOM 0 HA ARG A 44 4.695 1.759 5.311 1.00 62.13 H new ATOM 0 HB2 ARG A 44 3.980 2.728 3.182 1.00 4.45 H new ATOM 0 HB3 ARG A 44 2.667 2.668 4.342 1.00 4.45 H new ATOM 0 HG2 ARG A 44 4.244 5.213 3.762 1.00 31.20 H new ATOM 0 HG3 ARG A 44 2.799 4.763 2.878 1.00 31.20 H new ATOM 0 HD2 ARG A 44 1.584 4.682 5.160 1.00 11.32 H new ATOM 0 HD3 ARG A 44 3.011 5.432 5.847 1.00 11.32 H new ATOM 0 HE ARG A 44 2.268 7.004 3.612 1.00 54.50 H new ATOM 0 HH11 ARG A 44 0.924 6.146 6.782 1.00 10.43 H new ATOM 0 HH12 ARG A 44 -0.003 7.645 6.904 1.00 10.43 H new ATOM 0 HH21 ARG A 44 1.028 8.884 3.796 1.00 11.43 H new ATOM 0 HH22 ARG A 44 0.056 9.167 5.244 1.00 11.43 H new ATOM 726 N THR A 45 6.861 2.540 4.336 1.00 52.04 N ATOM 727 CA THR A 45 8.186 2.907 3.839 1.00 55.24 C ATOM 728 C THR A 45 8.465 2.119 2.546 1.00 71.13 C ATOM 729 O THR A 45 8.430 0.882 2.545 1.00 51.24 O ATOM 730 CB THR A 45 9.309 2.621 4.900 1.00 52.52 C ATOM 731 OG1 THR A 45 8.998 3.296 6.140 1.00 14.02 O ATOM 732 CG2 THR A 45 10.696 3.084 4.398 1.00 53.53 C ATOM 0 H THR A 45 6.641 1.552 4.206 1.00 52.04 H new ATOM 0 HA THR A 45 8.198 3.979 3.640 1.00 55.24 H new ATOM 0 HB THR A 45 9.346 1.544 5.062 1.00 52.52 H new ATOM 0 HG1 THR A 45 9.701 3.112 6.798 1.00 14.02 H new ATOM 0 HG21 THR A 45 11.448 2.870 5.158 1.00 53.53 H new ATOM 0 HG22 THR A 45 10.947 2.553 3.480 1.00 53.53 H new ATOM 0 HG23 THR A 45 10.673 4.156 4.202 1.00 53.53 H new ATOM 740 N LEU A 46 8.699 2.851 1.453 1.00 32.45 N ATOM 741 CA LEU A 46 9.054 2.291 0.147 1.00 72.25 C ATOM 742 C LEU A 46 10.582 2.247 0.040 1.00 32.14 C ATOM 743 O LEU A 46 11.249 3.256 0.296 1.00 0.23 O ATOM 744 CB LEU A 46 8.459 3.156 -1.002 1.00 35.24 C ATOM 745 CG LEU A 46 6.895 3.202 -1.113 1.00 1.35 C ATOM 746 CD1 LEU A 46 6.240 4.041 0.011 1.00 44.31 C ATOM 747 CD2 LEU A 46 6.463 3.707 -2.500 1.00 44.44 C ATOM 0 H LEU A 46 8.646 3.870 1.452 1.00 32.45 H new ATOM 0 HA LEU A 46 8.642 1.286 0.055 1.00 72.25 H new ATOM 0 HB2 LEU A 46 8.822 4.177 -0.882 1.00 35.24 H new ATOM 0 HB3 LEU A 46 8.856 2.786 -1.947 1.00 35.24 H new ATOM 0 HG LEU A 46 6.539 2.180 -0.985 1.00 1.35 H new ATOM 0 HD11 LEU A 46 5.157 4.038 -0.116 1.00 44.31 H new ATOM 0 HD12 LEU A 46 6.493 3.611 0.980 1.00 44.31 H new ATOM 0 HD13 LEU A 46 6.608 5.066 -0.039 1.00 44.31 H new ATOM 0 HD21 LEU A 46 5.375 3.731 -2.556 1.00 44.44 H new ATOM 0 HD22 LEU A 46 6.857 4.711 -2.661 1.00 44.44 H new ATOM 0 HD23 LEU A 46 6.851 3.038 -3.268 1.00 44.44 H new ATOM 759 N THR A 47 11.136 1.079 -0.302 1.00 40.14 N ATOM 760 CA THR A 47 12.589 0.866 -0.344 1.00 4.45 C ATOM 761 C THR A 47 13.043 0.596 -1.785 1.00 34.21 C ATOM 762 O THR A 47 12.532 -0.307 -2.440 1.00 42.12 O ATOM 763 CB THR A 47 12.986 -0.320 0.590 1.00 60.44 C ATOM 764 OG1 THR A 47 12.398 -0.111 1.889 1.00 61.42 O ATOM 765 CG2 THR A 47 14.509 -0.461 0.748 1.00 70.15 C ATOM 0 H THR A 47 10.592 0.255 -0.557 1.00 40.14 H new ATOM 0 HA THR A 47 13.089 1.767 0.011 1.00 4.45 H new ATOM 0 HB THR A 47 12.616 -1.237 0.132 1.00 60.44 H new ATOM 0 HG1 THR A 47 12.767 -0.761 2.523 1.00 61.42 H new ATOM 0 HG21 THR A 47 14.730 -1.300 1.407 1.00 70.15 H new ATOM 0 HG22 THR A 47 14.961 -0.637 -0.228 1.00 70.15 H new ATOM 0 HG23 THR A 47 14.917 0.454 1.177 1.00 70.15 H new ATOM 773 N ARG A 48 13.997 1.396 -2.267 1.00 31.42 N ATOM 774 CA ARG A 48 14.561 1.262 -3.615 1.00 44.03 C ATOM 775 C ARG A 48 15.687 0.218 -3.550 1.00 73.23 C ATOM 776 O ARG A 48 16.763 0.488 -3.002 1.00 23.32 O ATOM 777 CB ARG A 48 15.083 2.648 -4.096 1.00 61.33 C ATOM 778 CG ARG A 48 14.014 3.771 -4.056 1.00 51.31 C ATOM 779 CD ARG A 48 12.979 3.677 -5.199 1.00 2.14 C ATOM 780 NE ARG A 48 13.514 4.205 -6.472 1.00 54.35 N ATOM 781 CZ ARG A 48 13.263 5.427 -6.972 1.00 41.12 C ATOM 782 NH1 ARG A 48 12.478 6.285 -6.330 1.00 12.24 N ATOM 783 NH2 ARG A 48 13.812 5.790 -8.124 1.00 21.32 N ATOM 0 H ARG A 48 14.404 2.161 -1.730 1.00 31.42 H new ATOM 0 HA ARG A 48 13.810 0.930 -4.332 1.00 44.03 H new ATOM 0 HB2 ARG A 48 15.928 2.942 -3.474 1.00 61.33 H new ATOM 0 HB3 ARG A 48 15.456 2.551 -5.116 1.00 61.33 H new ATOM 0 HG2 ARG A 48 13.492 3.731 -3.100 1.00 51.31 H new ATOM 0 HG3 ARG A 48 14.513 4.739 -4.107 1.00 51.31 H new ATOM 0 HD2 ARG A 48 12.681 2.637 -5.334 1.00 2.14 H new ATOM 0 HD3 ARG A 48 12.083 4.233 -4.924 1.00 2.14 H new ATOM 0 HE ARG A 48 14.123 3.592 -7.015 1.00 54.35 H new ATOM 0 HH11 ARG A 48 12.053 6.021 -5.441 1.00 12.24 H new ATOM 0 HH12 ARG A 48 12.300 7.208 -6.726 1.00 12.24 H new ATOM 0 HH21 ARG A 48 14.421 5.143 -8.625 1.00 21.32 H new ATOM 0 HH22 ARG A 48 13.625 6.716 -8.509 1.00 21.32 H new ATOM 797 N ASP A 49 15.395 -0.993 -4.044 1.00 24.14 N ATOM 798 CA ASP A 49 16.317 -2.144 -4.002 1.00 3.53 C ATOM 799 C ASP A 49 16.437 -2.756 -5.406 1.00 63.23 C ATOM 800 O ASP A 49 15.510 -3.436 -5.871 1.00 33.54 O ATOM 801 CB ASP A 49 15.806 -3.195 -2.973 1.00 14.45 C ATOM 802 CG ASP A 49 16.735 -4.417 -2.822 1.00 64.34 C ATOM 803 OD1 ASP A 49 17.820 -4.282 -2.202 1.00 3.55 O ATOM 804 OD2 ASP A 49 16.378 -5.517 -3.297 1.00 65.44 O ATOM 0 H ASP A 49 14.503 -1.207 -4.490 1.00 24.14 H new ATOM 0 HA ASP A 49 17.306 -1.813 -3.684 1.00 3.53 H new ATOM 0 HB2 ASP A 49 15.692 -2.714 -2.002 1.00 14.45 H new ATOM 0 HB3 ASP A 49 14.817 -3.537 -3.277 1.00 14.45 H new ATOM 809 N ASP A 50 17.553 -2.422 -6.090 1.00 15.24 N ATOM 810 CA ASP A 50 17.927 -2.973 -7.413 1.00 73.50 C ATOM 811 C ASP A 50 16.864 -2.673 -8.492 1.00 43.20 C ATOM 812 O ASP A 50 16.580 -3.516 -9.356 1.00 54.24 O ATOM 813 CB ASP A 50 18.231 -4.494 -7.301 1.00 2.33 C ATOM 814 CG ASP A 50 19.481 -4.773 -6.449 1.00 64.43 C ATOM 815 OD1 ASP A 50 19.373 -4.806 -5.202 1.00 31.40 O ATOM 816 OD2 ASP A 50 20.575 -4.974 -7.016 1.00 34.33 O ATOM 0 H ASP A 50 18.232 -1.750 -5.733 1.00 15.24 H new ATOM 0 HA ASP A 50 18.838 -2.470 -7.738 1.00 73.50 H new ATOM 0 HB2 ASP A 50 17.373 -5.003 -6.863 1.00 2.33 H new ATOM 0 HB3 ASP A 50 18.373 -4.909 -8.299 1.00 2.33 H new ATOM 821 N GLY A 51 16.307 -1.443 -8.439 1.00 64.51 N ATOM 822 CA GLY A 51 15.328 -0.970 -9.426 1.00 42.44 C ATOM 823 C GLY A 51 13.918 -1.474 -9.175 1.00 34.41 C ATOM 824 O GLY A 51 13.051 -1.324 -10.036 1.00 31.12 O ATOM 0 H GLY A 51 16.525 -0.759 -7.714 1.00 64.51 H new ATOM 0 HA2 GLY A 51 15.321 0.120 -9.424 1.00 42.44 H new ATOM 0 HA3 GLY A 51 15.646 -1.285 -10.420 1.00 42.44 H new ATOM 828 N THR A 52 13.694 -2.080 -7.999 1.00 71.54 N ATOM 829 CA THR A 52 12.372 -2.553 -7.565 1.00 51.12 C ATOM 830 C THR A 52 12.002 -1.867 -6.237 1.00 41.40 C ATOM 831 O THR A 52 12.826 -1.810 -5.320 1.00 64.44 O ATOM 832 CB THR A 52 12.376 -4.110 -7.385 1.00 51.54 C ATOM 833 OG1 THR A 52 12.999 -4.729 -8.524 1.00 13.33 O ATOM 834 CG2 THR A 52 10.958 -4.680 -7.222 1.00 42.30 C ATOM 0 H THR A 52 14.432 -2.257 -7.317 1.00 71.54 H new ATOM 0 HA THR A 52 11.633 -2.301 -8.326 1.00 51.12 H new ATOM 0 HB THR A 52 12.935 -4.328 -6.475 1.00 51.54 H new ATOM 0 HG1 THR A 52 13.001 -5.702 -8.407 1.00 13.33 H new ATOM 0 HG21 THR A 52 11.012 -5.762 -7.100 1.00 42.30 H new ATOM 0 HG22 THR A 52 10.488 -4.239 -6.343 1.00 42.30 H new ATOM 0 HG23 THR A 52 10.367 -4.444 -8.107 1.00 42.30 H new ATOM 842 N VAL A 53 10.769 -1.341 -6.148 1.00 2.25 N ATOM 843 CA VAL A 53 10.277 -0.642 -4.948 1.00 1.42 C ATOM 844 C VAL A 53 9.592 -1.648 -4.012 1.00 51.31 C ATOM 845 O VAL A 53 8.477 -2.070 -4.285 1.00 73.54 O ATOM 846 CB VAL A 53 9.265 0.508 -5.338 1.00 14.34 C ATOM 847 CG1 VAL A 53 8.760 1.262 -4.093 1.00 3.13 C ATOM 848 CG2 VAL A 53 9.906 1.480 -6.344 1.00 34.04 C ATOM 0 H VAL A 53 10.086 -1.388 -6.904 1.00 2.25 H new ATOM 0 HA VAL A 53 11.127 -0.188 -4.438 1.00 1.42 H new ATOM 0 HB VAL A 53 8.402 0.042 -5.813 1.00 14.34 H new ATOM 0 HG11 VAL A 53 8.066 2.045 -4.399 1.00 3.13 H new ATOM 0 HG12 VAL A 53 8.250 0.565 -3.428 1.00 3.13 H new ATOM 0 HG13 VAL A 53 9.606 1.710 -3.571 1.00 3.13 H new ATOM 0 HG21 VAL A 53 9.192 2.263 -6.599 1.00 34.04 H new ATOM 0 HG22 VAL A 53 10.795 1.929 -5.900 1.00 34.04 H new ATOM 0 HG23 VAL A 53 10.186 0.937 -7.247 1.00 34.04 H new ATOM 858 N GLU A 54 10.253 -2.029 -2.907 1.00 10.10 N ATOM 859 CA GLU A 54 9.682 -2.962 -1.931 1.00 61.25 C ATOM 860 C GLU A 54 9.129 -2.165 -0.738 1.00 71.40 C ATOM 861 O GLU A 54 9.873 -1.594 0.066 1.00 62.34 O ATOM 862 CB GLU A 54 10.719 -4.019 -1.492 1.00 4.14 C ATOM 863 CG GLU A 54 10.151 -5.078 -0.512 1.00 44.22 C ATOM 864 CD GLU A 54 11.062 -6.298 -0.341 1.00 61.31 C ATOM 865 OE1 GLU A 54 12.224 -6.130 0.086 1.00 42.22 O ATOM 866 OE2 GLU A 54 10.631 -7.427 -0.659 1.00 4.34 O ATOM 0 H GLU A 54 11.189 -1.701 -2.669 1.00 10.10 H new ATOM 0 HA GLU A 54 8.862 -3.512 -2.392 1.00 61.25 H new ATOM 0 HB2 GLU A 54 11.106 -4.525 -2.376 1.00 4.14 H new ATOM 0 HB3 GLU A 54 11.562 -3.514 -1.020 1.00 4.14 H new ATOM 0 HG2 GLU A 54 9.992 -4.613 0.461 1.00 44.22 H new ATOM 0 HG3 GLU A 54 9.176 -5.409 -0.871 1.00 44.22 H new ATOM 873 N LEU A 55 7.807 -2.147 -0.666 1.00 24.45 N ATOM 874 CA LEU A 55 7.011 -1.399 0.304 1.00 33.45 C ATOM 875 C LEU A 55 6.713 -2.270 1.531 1.00 65.22 C ATOM 876 O LEU A 55 6.497 -3.475 1.415 1.00 73.24 O ATOM 877 CB LEU A 55 5.687 -0.998 -0.400 1.00 74.50 C ATOM 878 CG LEU A 55 4.506 -0.486 0.482 1.00 31.51 C ATOM 879 CD1 LEU A 55 4.834 0.852 1.170 1.00 32.14 C ATOM 880 CD2 LEU A 55 3.211 -0.406 -0.360 1.00 4.11 C ATOM 0 H LEU A 55 7.227 -2.680 -1.314 1.00 24.45 H new ATOM 0 HA LEU A 55 7.551 -0.516 0.645 1.00 33.45 H new ATOM 0 HB2 LEU A 55 5.920 -0.221 -1.128 1.00 74.50 H new ATOM 0 HB3 LEU A 55 5.333 -1.863 -0.960 1.00 74.50 H new ATOM 0 HG LEU A 55 4.345 -1.204 1.286 1.00 31.51 H new ATOM 0 HD11 LEU A 55 3.983 1.169 1.773 1.00 32.14 H new ATOM 0 HD12 LEU A 55 5.707 0.727 1.811 1.00 32.14 H new ATOM 0 HD13 LEU A 55 5.045 1.608 0.414 1.00 32.14 H new ATOM 0 HD21 LEU A 55 2.393 -0.048 0.264 1.00 4.11 H new ATOM 0 HD22 LEU A 55 3.360 0.282 -1.192 1.00 4.11 H new ATOM 0 HD23 LEU A 55 2.966 -1.396 -0.746 1.00 4.11 H new ATOM 892 N ARG A 56 6.735 -1.641 2.711 1.00 24.25 N ATOM 893 CA ARG A 56 6.288 -2.257 3.968 1.00 50.22 C ATOM 894 C ARG A 56 5.071 -1.483 4.491 1.00 43.40 C ATOM 895 O ARG A 56 5.202 -0.312 4.861 1.00 44.51 O ATOM 896 CB ARG A 56 7.425 -2.269 5.038 1.00 54.00 C ATOM 897 CG ARG A 56 8.509 -3.361 4.843 1.00 33.02 C ATOM 898 CD ARG A 56 9.497 -3.104 3.686 1.00 65.33 C ATOM 899 NE ARG A 56 10.468 -4.205 3.582 1.00 23.30 N ATOM 900 CZ ARG A 56 11.566 -4.217 2.821 1.00 20.53 C ATOM 901 NH1 ARG A 56 11.880 -3.185 2.042 1.00 73.13 N ATOM 902 NH2 ARG A 56 12.337 -5.290 2.836 1.00 44.32 N ATOM 0 H ARG A 56 7.066 -0.683 2.823 1.00 24.25 H new ATOM 0 HA ARG A 56 6.017 -3.295 3.774 1.00 50.22 H new ATOM 0 HB2 ARG A 56 7.912 -1.294 5.038 1.00 54.00 H new ATOM 0 HB3 ARG A 56 6.974 -2.400 6.022 1.00 54.00 H new ATOM 0 HG2 ARG A 56 9.076 -3.458 5.769 1.00 33.02 H new ATOM 0 HG3 ARG A 56 8.013 -4.316 4.671 1.00 33.02 H new ATOM 0 HD2 ARG A 56 8.950 -3.004 2.748 1.00 65.33 H new ATOM 0 HD3 ARG A 56 10.022 -2.163 3.851 1.00 65.33 H new ATOM 0 HE ARG A 56 10.286 -5.037 4.143 1.00 23.30 H new ATOM 0 HH11 ARG A 56 11.277 -2.363 2.017 1.00 73.13 H new ATOM 0 HH12 ARG A 56 12.724 -3.216 1.469 1.00 73.13 H new ATOM 0 HH21 ARG A 56 12.089 -6.088 3.421 1.00 44.32 H new ATOM 0 HH22 ARG A 56 13.180 -5.320 2.263 1.00 44.32 H new ATOM 916 N ILE A 57 3.893 -2.128 4.478 1.00 10.44 N ATOM 917 CA ILE A 57 2.663 -1.589 5.077 1.00 40.34 C ATOM 918 C ILE A 57 2.498 -2.193 6.480 1.00 22.50 C ATOM 919 O ILE A 57 2.384 -3.405 6.629 1.00 15.20 O ATOM 920 CB ILE A 57 1.392 -1.918 4.200 1.00 72.11 C ATOM 921 CG1 ILE A 57 1.447 -1.189 2.826 1.00 40.41 C ATOM 922 CG2 ILE A 57 0.075 -1.585 4.946 1.00 1.43 C ATOM 923 CD1 ILE A 57 1.404 0.329 2.916 1.00 73.33 C ATOM 0 H ILE A 57 3.768 -3.045 4.048 1.00 10.44 H new ATOM 0 HA ILE A 57 2.748 -0.504 5.133 1.00 40.34 H new ATOM 0 HB ILE A 57 1.403 -2.992 4.014 1.00 72.11 H new ATOM 0 HG12 ILE A 57 2.360 -1.484 2.309 1.00 40.41 H new ATOM 0 HG13 ILE A 57 0.610 -1.528 2.215 1.00 40.41 H new ATOM 0 HG21 ILE A 57 -0.775 -1.826 4.308 1.00 1.43 H new ATOM 0 HG22 ILE A 57 0.018 -2.171 5.863 1.00 1.43 H new ATOM 0 HG23 ILE A 57 0.055 -0.523 5.192 1.00 1.43 H new ATOM 0 HD11 ILE A 57 1.447 0.754 1.913 1.00 73.33 H new ATOM 0 HD12 ILE A 57 0.479 0.639 3.402 1.00 73.33 H new ATOM 0 HD13 ILE A 57 2.255 0.683 3.497 1.00 73.33 H new ATOM 935 N LYS A 58 2.486 -1.334 7.487 1.00 61.24 N ATOM 936 CA LYS A 58 2.357 -1.708 8.889 1.00 74.12 C ATOM 937 C LYS A 58 1.107 -1.014 9.443 1.00 71.11 C ATOM 938 O LYS A 58 1.136 0.180 9.742 1.00 64.32 O ATOM 939 CB LYS A 58 3.649 -1.257 9.629 1.00 45.42 C ATOM 940 CG LYS A 58 3.679 -1.541 11.141 1.00 14.43 C ATOM 941 CD LYS A 58 4.968 -1.025 11.826 1.00 72.03 C ATOM 942 CE LYS A 58 5.069 -1.451 13.300 1.00 0.24 C ATOM 943 NZ LYS A 58 5.183 -2.932 13.436 1.00 24.45 N ATOM 0 H LYS A 58 2.568 -0.327 7.348 1.00 61.24 H new ATOM 0 HA LYS A 58 2.245 -2.784 9.024 1.00 74.12 H new ATOM 0 HB2 LYS A 58 4.503 -1.752 9.167 1.00 45.42 H new ATOM 0 HB3 LYS A 58 3.780 -0.186 9.475 1.00 45.42 H new ATOM 0 HG2 LYS A 58 2.813 -1.075 11.610 1.00 14.43 H new ATOM 0 HG3 LYS A 58 3.591 -2.615 11.306 1.00 14.43 H new ATOM 0 HD2 LYS A 58 5.837 -1.398 11.284 1.00 72.03 H new ATOM 0 HD3 LYS A 58 4.997 0.063 11.764 1.00 72.03 H new ATOM 0 HE2 LYS A 58 5.936 -0.975 13.759 1.00 0.24 H new ATOM 0 HE3 LYS A 58 4.190 -1.102 13.842 1.00 0.24 H new ATOM 0 HZ1 LYS A 58 5.334 -3.178 14.435 1.00 24.45 H new ATOM 0 HZ2 LYS A 58 4.308 -3.380 13.098 1.00 24.45 H new ATOM 0 HZ3 LYS A 58 5.987 -3.272 12.870 1.00 24.45 H new ATOM 957 N VAL A 59 0.002 -1.761 9.551 1.00 0.11 N ATOM 958 CA VAL A 59 -1.280 -1.227 10.031 1.00 40.00 C ATOM 959 C VAL A 59 -1.489 -1.648 11.487 1.00 43.11 C ATOM 960 O VAL A 59 -1.679 -2.836 11.779 1.00 54.34 O ATOM 961 CB VAL A 59 -2.504 -1.705 9.152 1.00 3.24 C ATOM 962 CG1 VAL A 59 -3.834 -1.123 9.686 1.00 24.23 C ATOM 963 CG2 VAL A 59 -2.300 -1.327 7.668 1.00 71.02 C ATOM 0 H VAL A 59 -0.030 -2.751 9.309 1.00 0.11 H new ATOM 0 HA VAL A 59 -1.236 -0.141 9.951 1.00 40.00 H new ATOM 0 HB VAL A 59 -2.559 -2.791 9.222 1.00 3.24 H new ATOM 0 HG11 VAL A 59 -4.659 -1.468 9.062 1.00 24.23 H new ATOM 0 HG12 VAL A 59 -3.991 -1.456 10.712 1.00 24.23 H new ATOM 0 HG13 VAL A 59 -3.791 -0.034 9.660 1.00 24.23 H new ATOM 0 HG21 VAL A 59 -3.156 -1.667 7.085 1.00 71.02 H new ATOM 0 HG22 VAL A 59 -2.206 -0.245 7.578 1.00 71.02 H new ATOM 0 HG23 VAL A 59 -1.394 -1.802 7.293 1.00 71.02 H new ATOM 973 N LYS A 60 -1.409 -0.671 12.396 1.00 60.22 N ATOM 974 CA LYS A 60 -1.714 -0.871 13.810 1.00 45.04 C ATOM 975 C LYS A 60 -3.188 -0.494 14.022 1.00 12.40 C ATOM 976 O LYS A 60 -3.548 0.682 13.938 1.00 21.50 O ATOM 977 CB LYS A 60 -0.780 0.010 14.674 1.00 23.34 C ATOM 978 CG LYS A 60 -0.911 -0.212 16.195 1.00 54.20 C ATOM 979 CD LYS A 60 0.013 0.723 17.014 1.00 41.52 C ATOM 980 CE LYS A 60 -0.328 2.207 16.803 1.00 0.21 C ATOM 981 NZ LYS A 60 0.626 3.117 17.491 1.00 23.15 N ATOM 0 H LYS A 60 -1.130 0.283 12.167 1.00 60.22 H new ATOM 0 HA LYS A 60 -1.554 -1.908 14.106 1.00 45.04 H new ATOM 0 HB2 LYS A 60 0.252 -0.181 14.380 1.00 23.34 H new ATOM 0 HB3 LYS A 60 -0.985 1.058 14.454 1.00 23.34 H new ATOM 0 HG2 LYS A 60 -1.946 -0.048 16.495 1.00 54.20 H new ATOM 0 HG3 LYS A 60 -0.672 -1.249 16.429 1.00 54.20 H new ATOM 0 HD2 LYS A 60 -0.073 0.479 18.073 1.00 41.52 H new ATOM 0 HD3 LYS A 60 1.050 0.546 16.729 1.00 41.52 H new ATOM 0 HE2 LYS A 60 -0.329 2.427 15.736 1.00 0.21 H new ATOM 0 HE3 LYS A 60 -1.336 2.400 17.169 1.00 0.21 H new ATOM 0 HZ1 LYS A 60 0.351 4.105 17.317 1.00 23.15 H new ATOM 0 HZ2 LYS A 60 0.610 2.928 18.514 1.00 23.15 H new ATOM 0 HZ3 LYS A 60 1.586 2.955 17.125 1.00 23.15 H new ATOM 995 N ALA A 61 -4.022 -1.502 14.283 1.00 54.13 N ATOM 996 CA ALA A 61 -5.484 -1.352 14.405 1.00 42.40 C ATOM 997 C ALA A 61 -5.984 -2.195 15.583 1.00 63.33 C ATOM 998 O ALA A 61 -5.204 -2.922 16.198 1.00 4.34 O ATOM 999 CB ALA A 61 -6.166 -1.770 13.088 1.00 32.22 C ATOM 0 H ALA A 61 -3.702 -2.461 14.418 1.00 54.13 H new ATOM 0 HA ALA A 61 -5.735 -0.309 14.596 1.00 42.40 H new ATOM 0 HB1 ALA A 61 -7.246 -1.657 13.185 1.00 32.22 H new ATOM 0 HB2 ALA A 61 -5.807 -1.138 12.276 1.00 32.22 H new ATOM 0 HB3 ALA A 61 -5.929 -2.811 12.870 1.00 32.22 H new ATOM 1005 N ASP A 62 -7.279 -2.096 15.903 1.00 52.11 N ATOM 1006 CA ASP A 62 -7.880 -2.867 17.010 1.00 51.54 C ATOM 1007 C ASP A 62 -8.145 -4.313 16.564 1.00 14.35 C ATOM 1008 O ASP A 62 -7.802 -5.268 17.264 1.00 34.42 O ATOM 1009 CB ASP A 62 -9.193 -2.198 17.490 1.00 22.43 C ATOM 1010 CG ASP A 62 -9.817 -2.932 18.695 1.00 72.51 C ATOM 1011 OD1 ASP A 62 -9.385 -2.670 19.846 1.00 2.43 O ATOM 1012 OD2 ASP A 62 -10.723 -3.784 18.500 1.00 3.33 O ATOM 0 H ASP A 62 -7.937 -1.490 15.413 1.00 52.11 H new ATOM 0 HA ASP A 62 -7.179 -2.881 17.845 1.00 51.54 H new ATOM 0 HB2 ASP A 62 -8.992 -1.162 17.763 1.00 22.43 H new ATOM 0 HB3 ASP A 62 -9.909 -2.178 16.669 1.00 22.43 H new ATOM 1017 N THR A 63 -8.765 -4.449 15.389 1.00 5.51 N ATOM 1018 CA THR A 63 -9.180 -5.739 14.826 1.00 0.41 C ATOM 1019 C THR A 63 -8.284 -6.099 13.625 1.00 24.31 C ATOM 1020 O THR A 63 -8.130 -5.277 12.713 1.00 3.32 O ATOM 1021 CB THR A 63 -10.667 -5.649 14.375 1.00 53.32 C ATOM 1022 OG1 THR A 63 -11.465 -5.095 15.436 1.00 73.44 O ATOM 1023 CG2 THR A 63 -11.234 -7.014 13.968 1.00 5.11 C ATOM 0 H THR A 63 -8.997 -3.655 14.792 1.00 5.51 H new ATOM 0 HA THR A 63 -9.079 -6.516 15.584 1.00 0.41 H new ATOM 0 HB THR A 63 -10.702 -5.001 13.499 1.00 53.32 H new ATOM 0 HG1 THR A 63 -12.400 -5.039 15.147 1.00 73.44 H new ATOM 0 HG21 THR A 63 -12.274 -6.899 13.661 1.00 5.11 H new ATOM 0 HG22 THR A 63 -10.653 -7.416 13.138 1.00 5.11 H new ATOM 0 HG23 THR A 63 -11.179 -7.698 14.815 1.00 5.11 H new ATOM 1031 N GLU A 64 -7.702 -7.327 13.630 1.00 22.31 N ATOM 1032 CA GLU A 64 -6.806 -7.800 12.550 1.00 53.34 C ATOM 1033 C GLU A 64 -7.546 -7.919 11.213 1.00 2.13 C ATOM 1034 O GLU A 64 -6.981 -7.591 10.188 1.00 42.10 O ATOM 1035 CB GLU A 64 -6.132 -9.155 12.906 1.00 11.53 C ATOM 1036 CG GLU A 64 -7.109 -10.325 13.117 1.00 70.30 C ATOM 1037 CD GLU A 64 -6.408 -11.681 13.218 1.00 33.53 C ATOM 1038 OE1 GLU A 64 -6.029 -12.232 12.163 1.00 52.31 O ATOM 1039 OE2 GLU A 64 -6.233 -12.200 14.340 1.00 15.25 O ATOM 0 H GLU A 64 -7.841 -8.008 14.376 1.00 22.31 H new ATOM 0 HA GLU A 64 -6.024 -7.047 12.447 1.00 53.34 H new ATOM 0 HB2 GLU A 64 -5.437 -9.420 12.109 1.00 11.53 H new ATOM 0 HB3 GLU A 64 -5.542 -9.024 13.813 1.00 11.53 H new ATOM 0 HG2 GLU A 64 -7.684 -10.151 14.027 1.00 70.30 H new ATOM 0 HG3 GLU A 64 -7.820 -10.351 12.291 1.00 70.30 H new ATOM 1046 N GLU A 65 -8.818 -8.357 11.254 1.00 3.51 N ATOM 1047 CA GLU A 65 -9.662 -8.539 10.053 1.00 23.40 C ATOM 1048 C GLU A 65 -9.876 -7.182 9.352 1.00 10.53 C ATOM 1049 O GLU A 65 -9.737 -7.067 8.132 1.00 14.00 O ATOM 1050 CB GLU A 65 -11.001 -9.212 10.485 1.00 21.12 C ATOM 1051 CG GLU A 65 -11.938 -9.698 9.342 1.00 2.15 C ATOM 1052 CD GLU A 65 -12.737 -8.577 8.641 1.00 60.14 C ATOM 1053 OE1 GLU A 65 -13.516 -7.886 9.326 1.00 54.44 O ATOM 1054 OE2 GLU A 65 -12.576 -8.367 7.417 1.00 22.53 O ATOM 0 H GLU A 65 -9.294 -8.596 12.124 1.00 3.51 H new ATOM 0 HA GLU A 65 -9.175 -9.192 9.329 1.00 23.40 H new ATOM 0 HB2 GLU A 65 -10.764 -10.067 11.118 1.00 21.12 H new ATOM 0 HB3 GLU A 65 -11.555 -8.504 11.101 1.00 21.12 H new ATOM 0 HG2 GLU A 65 -11.338 -10.219 8.596 1.00 2.15 H new ATOM 0 HG3 GLU A 65 -12.640 -10.425 9.751 1.00 2.15 H new ATOM 1061 N LYS A 66 -10.159 -6.151 10.163 1.00 71.41 N ATOM 1062 CA LYS A 66 -10.352 -4.776 9.677 1.00 24.53 C ATOM 1063 C LYS A 66 -9.015 -4.155 9.233 1.00 35.03 C ATOM 1064 O LYS A 66 -9.000 -3.292 8.363 1.00 3.33 O ATOM 1065 CB LYS A 66 -11.027 -3.920 10.773 1.00 44.10 C ATOM 1066 CG LYS A 66 -12.440 -4.419 11.162 1.00 62.33 C ATOM 1067 CD LYS A 66 -13.062 -3.615 12.330 1.00 34.43 C ATOM 1068 CE LYS A 66 -13.286 -2.135 12.000 1.00 33.25 C ATOM 1069 NZ LYS A 66 -13.802 -1.382 13.170 1.00 61.43 N ATOM 0 H LYS A 66 -10.260 -6.247 11.173 1.00 71.41 H new ATOM 0 HA LYS A 66 -11.006 -4.802 8.805 1.00 24.53 H new ATOM 0 HB2 LYS A 66 -10.395 -3.916 11.661 1.00 44.10 H new ATOM 0 HB3 LYS A 66 -11.097 -2.889 10.426 1.00 44.10 H new ATOM 0 HG2 LYS A 66 -13.095 -4.354 10.293 1.00 62.33 H new ATOM 0 HG3 LYS A 66 -12.384 -5.471 11.441 1.00 62.33 H new ATOM 0 HD2 LYS A 66 -14.015 -4.066 12.605 1.00 34.43 H new ATOM 0 HD3 LYS A 66 -12.411 -3.691 13.201 1.00 34.43 H new ATOM 0 HE2 LYS A 66 -12.348 -1.691 11.667 1.00 33.25 H new ATOM 0 HE3 LYS A 66 -13.991 -2.050 11.173 1.00 33.25 H new ATOM 0 HZ1 LYS A 66 -13.941 -0.385 12.908 1.00 61.43 H new ATOM 0 HZ2 LYS A 66 -14.710 -1.790 13.473 1.00 61.43 H new ATOM 0 HZ3 LYS A 66 -13.118 -1.442 13.951 1.00 61.43 H new ATOM 1083 N ALA A 67 -7.902 -4.618 9.831 1.00 2.03 N ATOM 1084 CA ALA A 67 -6.545 -4.190 9.445 1.00 35.13 C ATOM 1085 C ALA A 67 -6.133 -4.813 8.094 1.00 51.31 C ATOM 1086 O ALA A 67 -5.440 -4.173 7.298 1.00 44.31 O ATOM 1087 CB ALA A 67 -5.551 -4.553 10.556 1.00 4.44 C ATOM 0 H ALA A 67 -7.918 -5.297 10.592 1.00 2.03 H new ATOM 0 HA ALA A 67 -6.538 -3.108 9.316 1.00 35.13 H new ATOM 0 HB1 ALA A 67 -4.549 -4.235 10.266 1.00 4.44 H new ATOM 0 HB2 ALA A 67 -5.838 -4.051 11.480 1.00 4.44 H new ATOM 0 HB3 ALA A 67 -5.558 -5.632 10.712 1.00 4.44 H new ATOM 1093 N LYS A 68 -6.595 -6.061 7.843 1.00 11.24 N ATOM 1094 CA LYS A 68 -6.402 -6.759 6.552 1.00 35.41 C ATOM 1095 C LYS A 68 -7.215 -6.060 5.456 1.00 43.44 C ATOM 1096 O LYS A 68 -6.801 -6.018 4.301 1.00 35.42 O ATOM 1097 CB LYS A 68 -6.846 -8.246 6.632 1.00 40.30 C ATOM 1098 CG LYS A 68 -6.086 -9.110 7.650 1.00 31.32 C ATOM 1099 CD LYS A 68 -4.582 -9.262 7.343 1.00 22.23 C ATOM 1100 CE LYS A 68 -3.858 -10.045 8.449 1.00 72.10 C ATOM 1101 NZ LYS A 68 -4.416 -11.408 8.658 1.00 52.41 N ATOM 0 H LYS A 68 -7.111 -6.611 8.530 1.00 11.24 H new ATOM 0 HA LYS A 68 -5.338 -6.726 6.317 1.00 35.41 H new ATOM 0 HB2 LYS A 68 -7.908 -8.277 6.876 1.00 40.30 H new ATOM 0 HB3 LYS A 68 -6.733 -8.694 5.645 1.00 40.30 H new ATOM 0 HG2 LYS A 68 -6.202 -8.672 8.641 1.00 31.32 H new ATOM 0 HG3 LYS A 68 -6.542 -10.100 7.684 1.00 31.32 H new ATOM 0 HD2 LYS A 68 -4.454 -9.775 6.390 1.00 22.23 H new ATOM 0 HD3 LYS A 68 -4.130 -8.276 7.238 1.00 22.23 H new ATOM 0 HE2 LYS A 68 -2.801 -10.126 8.196 1.00 72.10 H new ATOM 0 HE3 LYS A 68 -3.921 -9.486 9.383 1.00 72.10 H new ATOM 0 HZ1 LYS A 68 -3.826 -11.924 9.342 1.00 52.41 H new ATOM 0 HZ2 LYS A 68 -5.386 -11.333 9.025 1.00 52.41 H new ATOM 0 HZ3 LYS A 68 -4.426 -11.921 7.754 1.00 52.41 H new ATOM 1115 N SER A 69 -8.397 -5.546 5.857 1.00 61.13 N ATOM 1116 CA SER A 69 -9.277 -4.747 4.996 1.00 64.21 C ATOM 1117 C SER A 69 -8.551 -3.474 4.536 1.00 62.53 C ATOM 1118 O SER A 69 -8.564 -3.153 3.359 1.00 44.10 O ATOM 1119 CB SER A 69 -10.571 -4.391 5.758 1.00 75.02 C ATOM 1120 OG SER A 69 -11.440 -3.566 4.997 1.00 55.33 O ATOM 0 H SER A 69 -8.766 -5.679 6.799 1.00 61.13 H new ATOM 0 HA SER A 69 -9.541 -5.329 4.113 1.00 64.21 H new ATOM 0 HB2 SER A 69 -11.092 -5.309 6.031 1.00 75.02 H new ATOM 0 HB3 SER A 69 -10.314 -3.883 6.687 1.00 75.02 H new ATOM 0 HG SER A 69 -11.667 -2.765 5.514 1.00 55.33 H new ATOM 1126 N ILE A 70 -7.888 -2.791 5.489 1.00 52.43 N ATOM 1127 CA ILE A 70 -7.102 -1.570 5.225 1.00 72.05 C ATOM 1128 C ILE A 70 -5.958 -1.856 4.229 1.00 70.23 C ATOM 1129 O ILE A 70 -5.776 -1.108 3.264 1.00 63.24 O ATOM 1130 CB ILE A 70 -6.533 -0.984 6.568 1.00 61.35 C ATOM 1131 CG1 ILE A 70 -7.702 -0.556 7.502 1.00 5.53 C ATOM 1132 CG2 ILE A 70 -5.571 0.197 6.312 1.00 0.24 C ATOM 1133 CD1 ILE A 70 -7.280 -0.192 8.906 1.00 64.24 C ATOM 0 H ILE A 70 -7.883 -3.072 6.469 1.00 52.43 H new ATOM 0 HA ILE A 70 -7.763 -0.829 4.776 1.00 72.05 H new ATOM 0 HB ILE A 70 -5.957 -1.767 7.061 1.00 61.35 H new ATOM 0 HG12 ILE A 70 -8.212 0.298 7.057 1.00 5.53 H new ATOM 0 HG13 ILE A 70 -8.426 -1.369 7.553 1.00 5.53 H new ATOM 0 HG21 ILE A 70 -5.198 0.576 7.264 1.00 0.24 H new ATOM 0 HG22 ILE A 70 -4.733 -0.142 5.703 1.00 0.24 H new ATOM 0 HG23 ILE A 70 -6.102 0.992 5.788 1.00 0.24 H new ATOM 0 HD11 ILE A 70 -8.157 0.093 9.487 1.00 64.24 H new ATOM 0 HD12 ILE A 70 -6.798 -1.050 9.375 1.00 64.24 H new ATOM 0 HD13 ILE A 70 -6.581 0.643 8.871 1.00 64.24 H new ATOM 1145 N ILE A 71 -5.226 -2.964 4.469 1.00 63.23 N ATOM 1146 CA ILE A 71 -4.166 -3.448 3.565 1.00 52.14 C ATOM 1147 C ILE A 71 -4.733 -3.712 2.160 1.00 43.44 C ATOM 1148 O ILE A 71 -4.145 -3.298 1.163 1.00 21.43 O ATOM 1149 CB ILE A 71 -3.484 -4.755 4.127 1.00 10.15 C ATOM 1150 CG1 ILE A 71 -2.718 -4.441 5.451 1.00 63.23 C ATOM 1151 CG2 ILE A 71 -2.547 -5.414 3.077 1.00 52.52 C ATOM 1152 CD1 ILE A 71 -2.088 -5.649 6.115 1.00 65.40 C ATOM 0 H ILE A 71 -5.355 -3.547 5.296 1.00 63.23 H new ATOM 0 HA ILE A 71 -3.406 -2.669 3.501 1.00 52.14 H new ATOM 0 HB ILE A 71 -4.272 -5.476 4.346 1.00 10.15 H new ATOM 0 HG12 ILE A 71 -1.937 -3.710 5.240 1.00 63.23 H new ATOM 0 HG13 ILE A 71 -3.409 -3.975 6.154 1.00 63.23 H new ATOM 0 HG21 ILE A 71 -2.097 -6.311 3.503 1.00 52.52 H new ATOM 0 HG22 ILE A 71 -3.124 -5.683 2.192 1.00 52.52 H new ATOM 0 HG23 ILE A 71 -1.762 -4.711 2.798 1.00 52.52 H new ATOM 0 HD11 ILE A 71 -1.578 -5.338 7.027 1.00 65.40 H new ATOM 0 HD12 ILE A 71 -2.863 -6.374 6.362 1.00 65.40 H new ATOM 0 HD13 ILE A 71 -1.369 -6.105 5.434 1.00 65.40 H new ATOM 1164 N LYS A 72 -5.909 -4.360 2.110 1.00 22.14 N ATOM 1165 CA LYS A 72 -6.577 -4.713 0.855 1.00 63.42 C ATOM 1166 C LYS A 72 -6.993 -3.444 0.088 1.00 75.51 C ATOM 1167 O LYS A 72 -6.864 -3.397 -1.131 1.00 33.14 O ATOM 1168 CB LYS A 72 -7.809 -5.610 1.137 1.00 20.14 C ATOM 1169 CG LYS A 72 -8.567 -6.098 -0.125 1.00 31.33 C ATOM 1170 CD LYS A 72 -7.677 -6.898 -1.108 1.00 62.11 C ATOM 1171 CE LYS A 72 -7.067 -8.170 -0.482 1.00 73.23 C ATOM 1172 NZ LYS A 72 -8.104 -9.115 0.007 1.00 10.32 N ATOM 0 H LYS A 72 -6.421 -4.652 2.943 1.00 22.14 H new ATOM 0 HA LYS A 72 -5.877 -5.272 0.234 1.00 63.42 H new ATOM 0 HB2 LYS A 72 -7.483 -6.481 1.706 1.00 20.14 H new ATOM 0 HB3 LYS A 72 -8.504 -5.058 1.769 1.00 20.14 H new ATOM 0 HG2 LYS A 72 -9.406 -6.722 0.183 1.00 31.33 H new ATOM 0 HG3 LYS A 72 -8.985 -5.236 -0.645 1.00 31.33 H new ATOM 0 HD2 LYS A 72 -8.270 -7.178 -1.978 1.00 62.11 H new ATOM 0 HD3 LYS A 72 -6.872 -6.255 -1.464 1.00 62.11 H new ATOM 0 HE2 LYS A 72 -6.442 -8.671 -1.221 1.00 73.23 H new ATOM 0 HE3 LYS A 72 -6.417 -7.888 0.346 1.00 73.23 H new ATOM 0 HZ1 LYS A 72 -7.646 -9.975 0.372 1.00 10.32 H new ATOM 0 HZ2 LYS A 72 -8.652 -8.665 0.768 1.00 10.32 H new ATOM 0 HZ3 LYS A 72 -8.740 -9.368 -0.776 1.00 10.32 H new ATOM 1186 N LEU A 73 -7.454 -2.416 0.830 1.00 71.54 N ATOM 1187 CA LEU A 73 -7.794 -1.101 0.265 1.00 41.24 C ATOM 1188 C LEU A 73 -6.549 -0.486 -0.402 1.00 73.14 C ATOM 1189 O LEU A 73 -6.610 -0.105 -1.559 1.00 63.42 O ATOM 1190 CB LEU A 73 -8.389 -0.156 1.368 1.00 41.43 C ATOM 1191 CG LEU A 73 -9.952 -0.139 1.522 1.00 11.52 C ATOM 1192 CD1 LEU A 73 -10.561 -1.552 1.663 1.00 55.43 C ATOM 1193 CD2 LEU A 73 -10.358 0.759 2.714 1.00 43.02 C ATOM 0 H LEU A 73 -7.600 -2.478 1.838 1.00 71.54 H new ATOM 0 HA LEU A 73 -8.563 -1.226 -0.497 1.00 41.24 H new ATOM 0 HB2 LEU A 73 -7.957 -0.440 2.327 1.00 41.43 H new ATOM 0 HB3 LEU A 73 -8.058 0.861 1.158 1.00 41.43 H new ATOM 0 HG LEU A 73 -10.360 0.277 0.601 1.00 11.52 H new ATOM 0 HD11 LEU A 73 -11.643 -1.473 1.766 1.00 55.43 H new ATOM 0 HD12 LEU A 73 -10.323 -2.141 0.777 1.00 55.43 H new ATOM 0 HD13 LEU A 73 -10.147 -2.040 2.545 1.00 55.43 H new ATOM 0 HD21 LEU A 73 -11.444 0.764 2.812 1.00 43.02 H new ATOM 0 HD22 LEU A 73 -9.912 0.371 3.630 1.00 43.02 H new ATOM 0 HD23 LEU A 73 -10.005 1.775 2.541 1.00 43.02 H new ATOM 1205 N ILE A 74 -5.416 -0.483 0.333 1.00 15.32 N ATOM 1206 CA ILE A 74 -4.121 0.043 -0.147 1.00 64.31 C ATOM 1207 C ILE A 74 -3.693 -0.655 -1.451 1.00 33.13 C ATOM 1208 O ILE A 74 -3.373 0.006 -2.421 1.00 62.01 O ATOM 1209 CB ILE A 74 -3.001 -0.133 0.950 1.00 45.03 C ATOM 1210 CG1 ILE A 74 -3.364 0.698 2.220 1.00 22.34 C ATOM 1211 CG2 ILE A 74 -1.597 0.256 0.417 1.00 4.40 C ATOM 1212 CD1 ILE A 74 -2.435 0.507 3.398 1.00 22.42 C ATOM 0 H ILE A 74 -5.375 -0.849 1.284 1.00 15.32 H new ATOM 0 HA ILE A 74 -4.250 1.107 -0.347 1.00 64.31 H new ATOM 0 HB ILE A 74 -2.957 -1.189 1.216 1.00 45.03 H new ATOM 0 HG12 ILE A 74 -3.375 1.755 1.953 1.00 22.34 H new ATOM 0 HG13 ILE A 74 -4.376 0.437 2.529 1.00 22.34 H new ATOM 0 HG21 ILE A 74 -0.858 0.119 1.206 1.00 4.40 H new ATOM 0 HG22 ILE A 74 -1.342 -0.377 -0.433 1.00 4.40 H new ATOM 0 HG23 ILE A 74 -1.603 1.300 0.103 1.00 4.40 H new ATOM 0 HD11 ILE A 74 -2.771 1.126 4.230 1.00 22.42 H new ATOM 0 HD12 ILE A 74 -2.440 -0.540 3.699 1.00 22.42 H new ATOM 0 HD13 ILE A 74 -1.423 0.798 3.115 1.00 22.42 H new ATOM 1224 N GLU A 75 -3.752 -1.996 -1.453 1.00 72.24 N ATOM 1225 CA GLU A 75 -3.316 -2.836 -2.587 1.00 60.53 C ATOM 1226 C GLU A 75 -4.187 -2.623 -3.840 1.00 33.33 C ATOM 1227 O GLU A 75 -3.666 -2.517 -4.958 1.00 63.01 O ATOM 1228 CB GLU A 75 -3.315 -4.322 -2.160 1.00 64.25 C ATOM 1229 CG GLU A 75 -2.276 -4.647 -1.072 1.00 42.24 C ATOM 1230 CD GLU A 75 -0.836 -4.313 -1.499 1.00 5.04 C ATOM 1231 OE1 GLU A 75 -0.334 -4.979 -2.440 1.00 13.12 O ATOM 1232 OE2 GLU A 75 -0.214 -3.398 -0.912 1.00 32.15 O ATOM 0 H GLU A 75 -4.106 -2.535 -0.663 1.00 72.24 H new ATOM 0 HA GLU A 75 -2.304 -2.537 -2.859 1.00 60.53 H new ATOM 0 HB2 GLU A 75 -4.307 -4.588 -1.795 1.00 64.25 H new ATOM 0 HB3 GLU A 75 -3.120 -4.943 -3.034 1.00 64.25 H new ATOM 0 HG2 GLU A 75 -2.519 -4.091 -0.167 1.00 42.24 H new ATOM 0 HG3 GLU A 75 -2.339 -5.706 -0.822 1.00 42.24 H new ATOM 1239 N GLU A 76 -5.513 -2.545 -3.636 1.00 61.23 N ATOM 1240 CA GLU A 76 -6.481 -2.312 -4.728 1.00 52.41 C ATOM 1241 C GLU A 76 -6.326 -0.898 -5.306 1.00 5.32 C ATOM 1242 O GLU A 76 -6.447 -0.694 -6.516 1.00 53.32 O ATOM 1243 CB GLU A 76 -7.930 -2.529 -4.226 1.00 51.25 C ATOM 1244 CG GLU A 76 -8.263 -3.986 -3.848 1.00 44.30 C ATOM 1245 CD GLU A 76 -8.104 -4.973 -5.013 1.00 12.52 C ATOM 1246 OE1 GLU A 76 -8.967 -4.972 -5.917 1.00 23.42 O ATOM 1247 OE2 GLU A 76 -7.116 -5.750 -5.036 1.00 23.50 O ATOM 0 H GLU A 76 -5.945 -2.641 -2.717 1.00 61.23 H new ATOM 0 HA GLU A 76 -6.274 -3.031 -5.520 1.00 52.41 H new ATOM 0 HB2 GLU A 76 -8.099 -1.894 -3.357 1.00 51.25 H new ATOM 0 HB3 GLU A 76 -8.623 -2.200 -5.001 1.00 51.25 H new ATOM 0 HG2 GLU A 76 -7.616 -4.297 -3.028 1.00 44.30 H new ATOM 0 HG3 GLU A 76 -9.288 -4.032 -3.480 1.00 44.30 H new ATOM 1254 N ARG A 77 -6.047 0.062 -4.418 1.00 64.01 N ATOM 1255 CA ARG A 77 -5.896 1.475 -4.771 1.00 40.41 C ATOM 1256 C ARG A 77 -4.593 1.706 -5.570 1.00 44.22 C ATOM 1257 O ARG A 77 -4.644 2.195 -6.707 1.00 22.24 O ATOM 1258 CB ARG A 77 -5.897 2.344 -3.484 1.00 4.45 C ATOM 1259 CG ARG A 77 -7.271 2.560 -2.793 1.00 30.22 C ATOM 1260 CD ARG A 77 -8.216 3.495 -3.565 1.00 42.04 C ATOM 1261 NE ARG A 77 -9.255 4.083 -2.687 1.00 71.44 N ATOM 1262 CZ ARG A 77 -10.473 4.478 -3.090 1.00 22.34 C ATOM 1263 NH1 ARG A 77 -10.841 4.347 -4.366 1.00 31.04 N ATOM 1264 NH2 ARG A 77 -11.306 5.021 -2.210 1.00 4.14 N ATOM 0 H ARG A 77 -5.919 -0.124 -3.423 1.00 64.01 H new ATOM 0 HA ARG A 77 -6.737 1.766 -5.400 1.00 40.41 H new ATOM 0 HB2 ARG A 77 -5.221 1.885 -2.762 1.00 4.45 H new ATOM 0 HB3 ARG A 77 -5.483 3.321 -3.732 1.00 4.45 H new ATOM 0 HG2 ARG A 77 -7.758 1.593 -2.664 1.00 30.22 H new ATOM 0 HG3 ARG A 77 -7.105 2.969 -1.796 1.00 30.22 H new ATOM 0 HD2 ARG A 77 -7.637 4.295 -4.027 1.00 42.04 H new ATOM 0 HD3 ARG A 77 -8.695 2.941 -4.372 1.00 42.04 H new ATOM 0 HE ARG A 77 -9.027 4.196 -1.699 1.00 71.44 H new ATOM 0 HH11 ARG A 77 -10.195 3.944 -5.044 1.00 31.04 H new ATOM 0 HH12 ARG A 77 -11.769 4.650 -4.663 1.00 31.04 H new ATOM 0 HH21 ARG A 77 -11.018 5.135 -1.238 1.00 4.14 H new ATOM 0 HH22 ARG A 77 -12.234 5.324 -2.506 1.00 4.14 H new ATOM 1278 N ILE A 78 -3.428 1.336 -4.968 1.00 64.01 N ATOM 1279 CA ILE A 78 -2.095 1.596 -5.553 1.00 63.04 C ATOM 1280 C ILE A 78 -1.952 0.912 -6.918 1.00 24.43 C ATOM 1281 O ILE A 78 -1.358 1.480 -7.825 1.00 24.51 O ATOM 1282 CB ILE A 78 -0.883 1.173 -4.616 1.00 41.24 C ATOM 1283 CG1 ILE A 78 -0.849 -0.370 -4.348 1.00 63.45 C ATOM 1284 CG2 ILE A 78 -0.916 1.964 -3.286 1.00 44.34 C ATOM 1285 CD1 ILE A 78 0.333 -0.858 -3.516 1.00 23.25 C ATOM 0 H ILE A 78 -3.394 0.853 -4.070 1.00 64.01 H new ATOM 0 HA ILE A 78 -2.039 2.678 -5.669 1.00 63.04 H new ATOM 0 HB ILE A 78 0.035 1.423 -5.147 1.00 41.24 H new ATOM 0 HG12 ILE A 78 -1.771 -0.655 -3.842 1.00 63.45 H new ATOM 0 HG13 ILE A 78 -0.837 -0.889 -5.306 1.00 63.45 H new ATOM 0 HG21 ILE A 78 -0.078 1.659 -2.660 1.00 44.34 H new ATOM 0 HG22 ILE A 78 -0.843 3.031 -3.495 1.00 44.34 H new ATOM 0 HG23 ILE A 78 -1.851 1.760 -2.765 1.00 44.34 H new ATOM 0 HD11 ILE A 78 0.266 -1.938 -3.387 1.00 23.25 H new ATOM 0 HD12 ILE A 78 1.264 -0.611 -4.027 1.00 23.25 H new ATOM 0 HD13 ILE A 78 0.315 -0.374 -2.540 1.00 23.25 H new ATOM 1297 N GLU A 79 -2.531 -0.305 -7.044 1.00 3.15 N ATOM 1298 CA GLU A 79 -2.548 -1.049 -8.303 1.00 14.41 C ATOM 1299 C GLU A 79 -3.443 -0.350 -9.336 1.00 50.22 C ATOM 1300 O GLU A 79 -3.005 -0.133 -10.451 1.00 14.43 O ATOM 1301 CB GLU A 79 -3.002 -2.515 -8.099 1.00 55.41 C ATOM 1302 CG GLU A 79 -3.121 -3.308 -9.422 1.00 41.21 C ATOM 1303 CD GLU A 79 -3.490 -4.776 -9.236 1.00 34.33 C ATOM 1304 OE1 GLU A 79 -4.552 -5.057 -8.645 1.00 62.30 O ATOM 1305 OE2 GLU A 79 -2.748 -5.664 -9.718 1.00 22.45 O ATOM 0 H GLU A 79 -2.994 -0.787 -6.274 1.00 3.15 H new ATOM 0 HA GLU A 79 -1.526 -1.069 -8.681 1.00 14.41 H new ATOM 0 HB2 GLU A 79 -2.293 -3.020 -7.443 1.00 55.41 H new ATOM 0 HB3 GLU A 79 -3.966 -2.522 -7.591 1.00 55.41 H new ATOM 0 HG2 GLU A 79 -3.873 -2.832 -10.052 1.00 41.21 H new ATOM 0 HG3 GLU A 79 -2.173 -3.247 -9.956 1.00 41.21 H new ATOM 1312 N GLU A 80 -4.680 0.041 -8.939 1.00 54.51 N ATOM 1313 CA GLU A 80 -5.670 0.641 -9.874 1.00 65.00 C ATOM 1314 C GLU A 80 -5.116 1.930 -10.521 1.00 40.24 C ATOM 1315 O GLU A 80 -5.395 2.217 -11.689 1.00 73.11 O ATOM 1316 CB GLU A 80 -7.017 0.921 -9.143 1.00 55.35 C ATOM 1317 CG GLU A 80 -8.168 1.389 -10.065 1.00 10.43 C ATOM 1318 CD GLU A 80 -9.518 1.535 -9.344 1.00 31.45 C ATOM 1319 OE1 GLU A 80 -10.178 0.508 -9.079 1.00 3.02 O ATOM 1320 OE2 GLU A 80 -9.945 2.673 -9.056 1.00 53.41 O ATOM 0 H GLU A 80 -5.017 -0.047 -7.980 1.00 54.51 H new ATOM 0 HA GLU A 80 -5.857 -0.077 -10.672 1.00 65.00 H new ATOM 0 HB2 GLU A 80 -7.330 0.014 -8.626 1.00 55.35 H new ATOM 0 HB3 GLU A 80 -6.849 1.681 -8.380 1.00 55.35 H new ATOM 0 HG2 GLU A 80 -7.898 2.347 -10.510 1.00 10.43 H new ATOM 0 HG3 GLU A 80 -8.278 0.677 -10.883 1.00 10.43 H new ATOM 1327 N GLU A 81 -4.286 2.664 -9.761 1.00 10.43 N ATOM 1328 CA GLU A 81 -3.673 3.920 -10.223 1.00 21.34 C ATOM 1329 C GLU A 81 -2.379 3.653 -11.033 1.00 23.23 C ATOM 1330 O GLU A 81 -2.168 4.265 -12.087 1.00 24.03 O ATOM 1331 CB GLU A 81 -3.374 4.841 -9.016 1.00 15.35 C ATOM 1332 CG GLU A 81 -4.584 5.122 -8.095 1.00 41.24 C ATOM 1333 CD GLU A 81 -5.771 5.779 -8.816 1.00 40.23 C ATOM 1334 OE1 GLU A 81 -5.688 6.991 -9.131 1.00 42.23 O ATOM 1335 OE2 GLU A 81 -6.788 5.097 -9.070 1.00 24.14 O ATOM 0 H GLU A 81 -4.022 2.404 -8.811 1.00 10.43 H new ATOM 0 HA GLU A 81 -4.382 4.418 -10.885 1.00 21.34 H new ATOM 0 HB2 GLU A 81 -2.580 4.389 -8.421 1.00 15.35 H new ATOM 0 HB3 GLU A 81 -2.991 5.791 -9.389 1.00 15.35 H new ATOM 0 HG2 GLU A 81 -4.915 4.184 -7.649 1.00 41.24 H new ATOM 0 HG3 GLU A 81 -4.264 5.768 -7.277 1.00 41.24 H new ATOM 1342 N LEU A 82 -1.523 2.736 -10.534 1.00 54.53 N ATOM 1343 CA LEU A 82 -0.192 2.443 -11.137 1.00 65.53 C ATOM 1344 C LEU A 82 -0.353 1.713 -12.486 1.00 15.12 C ATOM 1345 O LEU A 82 0.429 1.921 -13.411 1.00 74.54 O ATOM 1346 CB LEU A 82 0.681 1.601 -10.134 1.00 20.35 C ATOM 1347 CG LEU A 82 2.206 1.953 -10.015 1.00 54.52 C ATOM 1348 CD1 LEU A 82 2.878 1.102 -8.927 1.00 2.45 C ATOM 1349 CD2 LEU A 82 2.958 1.791 -11.349 1.00 40.23 C ATOM 0 H LEU A 82 -1.728 2.177 -9.706 1.00 54.53 H new ATOM 0 HA LEU A 82 0.322 3.385 -11.331 1.00 65.53 H new ATOM 0 HB2 LEU A 82 0.237 1.696 -9.143 1.00 20.35 H new ATOM 0 HB3 LEU A 82 0.601 0.552 -10.420 1.00 20.35 H new ATOM 0 HG LEU A 82 2.261 3.005 -9.736 1.00 54.52 H new ATOM 0 HD11 LEU A 82 3.934 1.363 -8.862 1.00 2.45 H new ATOM 0 HD12 LEU A 82 2.397 1.293 -7.967 1.00 2.45 H new ATOM 0 HD13 LEU A 82 2.780 0.046 -9.179 1.00 2.45 H new ATOM 0 HD21 LEU A 82 4.008 2.048 -11.208 1.00 40.23 H new ATOM 0 HD22 LEU A 82 2.879 0.758 -11.688 1.00 40.23 H new ATOM 0 HD23 LEU A 82 2.520 2.453 -12.096 1.00 40.23 H new ATOM 1361 N ARG A 83 -1.410 0.890 -12.576 1.00 42.45 N ATOM 1362 CA ARG A 83 -1.696 0.028 -13.742 1.00 30.22 C ATOM 1363 C ARG A 83 -2.074 0.868 -14.981 1.00 22.15 C ATOM 1364 O ARG A 83 -1.936 0.415 -16.127 1.00 4.22 O ATOM 1365 CB ARG A 83 -2.825 -0.970 -13.377 1.00 41.24 C ATOM 1366 CG ARG A 83 -3.043 -2.123 -14.383 1.00 32.41 C ATOM 1367 CD ARG A 83 -4.237 -3.012 -13.987 1.00 13.44 C ATOM 1368 NE ARG A 83 -4.436 -4.157 -14.899 1.00 44.21 N ATOM 1369 CZ ARG A 83 -5.331 -4.219 -15.899 1.00 31.40 C ATOM 1370 NH1 ARG A 83 -6.127 -3.189 -16.171 1.00 62.42 N ATOM 1371 NH2 ARG A 83 -5.412 -5.320 -16.635 1.00 4.44 N ATOM 0 H ARG A 83 -2.102 0.801 -11.832 1.00 42.45 H new ATOM 0 HA ARG A 83 -0.796 -0.531 -13.998 1.00 30.22 H new ATOM 0 HB2 ARG A 83 -2.604 -1.400 -12.400 1.00 41.24 H new ATOM 0 HB3 ARG A 83 -3.758 -0.416 -13.278 1.00 41.24 H new ATOM 0 HG2 ARG A 83 -3.212 -1.710 -15.378 1.00 32.41 H new ATOM 0 HG3 ARG A 83 -2.140 -2.731 -14.439 1.00 32.41 H new ATOM 0 HD2 ARG A 83 -4.084 -3.385 -12.974 1.00 13.44 H new ATOM 0 HD3 ARG A 83 -5.143 -2.407 -13.971 1.00 13.44 H new ATOM 0 HE ARG A 83 -3.841 -4.973 -14.757 1.00 44.21 H new ATOM 0 HH11 ARG A 83 -6.063 -2.335 -15.617 1.00 62.42 H new ATOM 0 HH12 ARG A 83 -6.801 -3.253 -16.934 1.00 62.42 H new ATOM 0 HH21 ARG A 83 -4.798 -6.110 -16.440 1.00 4.44 H new ATOM 0 HH22 ARG A 83 -6.089 -5.376 -17.396 1.00 4.44 H new ATOM 1385 N LYS A 84 -2.537 2.105 -14.722 1.00 12.31 N ATOM 1386 CA LYS A 84 -2.859 3.084 -15.769 1.00 2.21 C ATOM 1387 C LYS A 84 -1.589 3.534 -16.516 1.00 51.25 C ATOM 1388 O LYS A 84 -1.650 3.809 -17.714 1.00 42.12 O ATOM 1389 CB LYS A 84 -3.604 4.301 -15.160 1.00 55.24 C ATOM 1390 CG LYS A 84 -4.882 3.912 -14.389 1.00 44.33 C ATOM 1391 CD LYS A 84 -5.684 5.132 -13.888 1.00 4.13 C ATOM 1392 CE LYS A 84 -6.876 4.732 -12.998 1.00 21.22 C ATOM 1393 NZ LYS A 84 -7.766 3.726 -13.649 1.00 24.31 N ATOM 0 H LYS A 84 -2.698 2.452 -13.776 1.00 12.31 H new ATOM 0 HA LYS A 84 -3.517 2.605 -16.494 1.00 2.21 H new ATOM 0 HB2 LYS A 84 -2.930 4.831 -14.487 1.00 55.24 H new ATOM 0 HB3 LYS A 84 -3.867 4.994 -15.959 1.00 55.24 H new ATOM 0 HG2 LYS A 84 -5.518 3.307 -15.035 1.00 44.33 H new ATOM 0 HG3 LYS A 84 -4.609 3.290 -13.537 1.00 44.33 H new ATOM 0 HD2 LYS A 84 -5.022 5.792 -13.327 1.00 4.13 H new ATOM 0 HD3 LYS A 84 -6.049 5.699 -14.744 1.00 4.13 H new ATOM 0 HE2 LYS A 84 -6.503 4.327 -12.058 1.00 21.22 H new ATOM 0 HE3 LYS A 84 -7.457 5.621 -12.754 1.00 21.22 H new ATOM 0 HZ1 LYS A 84 -8.612 3.580 -13.062 1.00 24.31 H new ATOM 0 HZ2 LYS A 84 -8.051 4.071 -14.588 1.00 24.31 H new ATOM 0 HZ3 LYS A 84 -7.256 2.826 -13.751 1.00 24.31 H new ATOM 1407 N ARG A 85 -0.445 3.604 -15.804 1.00 14.40 N ATOM 1408 CA ARG A 85 0.854 3.944 -16.426 1.00 74.31 C ATOM 1409 C ARG A 85 1.600 2.660 -16.843 1.00 2.01 C ATOM 1410 O ARG A 85 2.322 2.649 -17.841 1.00 52.42 O ATOM 1411 CB ARG A 85 1.748 4.763 -15.447 1.00 22.33 C ATOM 1412 CG ARG A 85 2.835 5.621 -16.165 1.00 32.40 C ATOM 1413 CD ARG A 85 4.026 5.989 -15.261 1.00 23.33 C ATOM 1414 NE ARG A 85 4.861 4.809 -14.990 1.00 34.33 N ATOM 1415 CZ ARG A 85 6.064 4.554 -15.537 1.00 2.02 C ATOM 1416 NH1 ARG A 85 6.630 5.408 -16.385 1.00 1.50 N ATOM 1417 NH2 ARG A 85 6.671 3.402 -15.275 1.00 14.33 N ATOM 0 H ARG A 85 -0.393 3.430 -14.800 1.00 14.40 H new ATOM 0 HA ARG A 85 0.651 4.552 -17.308 1.00 74.31 H new ATOM 0 HB2 ARG A 85 1.114 5.419 -14.851 1.00 22.33 H new ATOM 0 HB3 ARG A 85 2.237 4.078 -14.754 1.00 22.33 H new ATOM 0 HG2 ARG A 85 3.204 5.074 -17.032 1.00 32.40 H new ATOM 0 HG3 ARG A 85 2.376 6.537 -16.537 1.00 32.40 H new ATOM 0 HD2 ARG A 85 4.626 6.762 -15.740 1.00 23.33 H new ATOM 0 HD3 ARG A 85 3.661 6.405 -14.322 1.00 23.33 H new ATOM 0 HE ARG A 85 4.496 4.123 -14.329 1.00 34.33 H new ATOM 0 HH11 ARG A 85 6.152 6.275 -16.631 1.00 1.50 H new ATOM 0 HH12 ARG A 85 7.542 5.196 -16.789 1.00 1.50 H new ATOM 0 HH21 ARG A 85 6.225 2.718 -14.663 1.00 14.33 H new ATOM 0 HH22 ARG A 85 7.583 3.201 -15.686 1.00 14.33 H new ATOM 1431 N ASP A 86 1.384 1.580 -16.077 1.00 34.42 N ATOM 1432 CA ASP A 86 2.127 0.313 -16.203 1.00 25.11 C ATOM 1433 C ASP A 86 1.144 -0.871 -16.341 1.00 65.23 C ATOM 1434 O ASP A 86 0.621 -1.349 -15.330 1.00 42.34 O ATOM 1435 CB ASP A 86 3.045 0.077 -14.967 1.00 72.33 C ATOM 1436 CG ASP A 86 4.252 1.009 -14.907 1.00 2.22 C ATOM 1437 OD1 ASP A 86 4.124 2.120 -14.373 1.00 51.31 O ATOM 1438 OD2 ASP A 86 5.341 0.630 -15.392 1.00 14.43 O ATOM 0 H ASP A 86 0.678 1.560 -15.341 1.00 34.42 H new ATOM 0 HA ASP A 86 2.749 0.379 -17.095 1.00 25.11 H new ATOM 0 HB2 ASP A 86 2.455 0.203 -14.059 1.00 72.33 H new ATOM 0 HB3 ASP A 86 3.395 -0.955 -14.979 1.00 72.33 H new ATOM 1443 N PRO A 87 0.881 -1.372 -17.589 1.00 32.33 N ATOM 1444 CA PRO A 87 0.018 -2.569 -17.818 1.00 23.32 C ATOM 1445 C PRO A 87 0.488 -3.834 -17.055 1.00 31.45 C ATOM 1446 O PRO A 87 -0.301 -4.754 -16.822 1.00 43.12 O ATOM 1447 CB PRO A 87 0.097 -2.784 -19.353 1.00 64.52 C ATOM 1448 CG PRO A 87 0.449 -1.435 -19.907 1.00 10.01 C ATOM 1449 CD PRO A 87 1.371 -0.806 -18.878 1.00 5.14 C ATOM 0 HA PRO A 87 -0.993 -2.403 -17.445 1.00 23.32 H new ATOM 0 HB2 PRO A 87 0.851 -3.527 -19.611 1.00 64.52 H new ATOM 0 HB3 PRO A 87 -0.852 -3.141 -19.753 1.00 64.52 H new ATOM 0 HG2 PRO A 87 0.943 -1.524 -20.875 1.00 10.01 H new ATOM 0 HG3 PRO A 87 -0.443 -0.827 -20.059 1.00 10.01 H new ATOM 0 HD2 PRO A 87 2.414 -1.065 -19.061 1.00 5.14 H new ATOM 0 HD3 PRO A 87 1.306 0.282 -18.891 1.00 5.14 H new ATOM 1457 N ASN A 88 1.782 -3.871 -16.681 1.00 23.54 N ATOM 1458 CA ASN A 88 2.390 -4.979 -15.918 1.00 2.42 C ATOM 1459 C ASN A 88 2.917 -4.463 -14.559 1.00 24.41 C ATOM 1460 O ASN A 88 4.012 -4.849 -14.124 1.00 11.13 O ATOM 1461 CB ASN A 88 3.537 -5.630 -16.754 1.00 51.03 C ATOM 1462 CG ASN A 88 3.046 -6.352 -18.015 1.00 32.11 C ATOM 1463 OD1 ASN A 88 2.879 -5.745 -19.068 1.00 21.54 O ATOM 1464 ND2 ASN A 88 2.815 -7.653 -17.919 1.00 50.21 N ATOM 0 H ASN A 88 2.441 -3.125 -16.902 1.00 23.54 H new ATOM 0 HA ASN A 88 1.634 -5.739 -15.721 1.00 2.42 H new ATOM 0 HB2 ASN A 88 4.249 -4.856 -17.043 1.00 51.03 H new ATOM 0 HB3 ASN A 88 4.075 -6.340 -16.126 1.00 51.03 H new ATOM 0 HD21 ASN A 88 2.490 -8.175 -18.733 1.00 50.21 H new ATOM 0 HD22 ASN A 88 2.962 -8.133 -17.031 1.00 50.21 H new ATOM 1471 N ALA A 89 2.141 -3.583 -13.888 1.00 23.43 N ATOM 1472 CA ALA A 89 2.462 -3.107 -12.517 1.00 61.01 C ATOM 1473 C ALA A 89 2.239 -4.243 -11.490 1.00 53.21 C ATOM 1474 O ALA A 89 1.272 -4.231 -10.718 1.00 33.22 O ATOM 1475 CB ALA A 89 1.628 -1.853 -12.165 1.00 64.44 C ATOM 0 H ALA A 89 1.284 -3.185 -14.272 1.00 23.43 H new ATOM 0 HA ALA A 89 3.514 -2.822 -12.481 1.00 61.01 H new ATOM 0 HB1 ALA A 89 1.878 -1.521 -11.157 1.00 64.44 H new ATOM 0 HB2 ALA A 89 1.851 -1.057 -12.875 1.00 64.44 H new ATOM 0 HB3 ALA A 89 0.567 -2.096 -12.214 1.00 64.44 H new ATOM 1481 N THR A 90 3.142 -5.229 -11.499 1.00 41.23 N ATOM 1482 CA THR A 90 2.993 -6.475 -10.745 1.00 42.21 C ATOM 1483 C THR A 90 3.499 -6.285 -9.309 1.00 63.33 C ATOM 1484 O THR A 90 4.599 -5.781 -9.098 1.00 42.42 O ATOM 1485 CB THR A 90 3.790 -7.617 -11.458 1.00 41.00 C ATOM 1486 OG1 THR A 90 3.337 -7.733 -12.818 1.00 73.14 O ATOM 1487 CG2 THR A 90 3.636 -8.972 -10.751 1.00 71.15 C ATOM 0 H THR A 90 4.007 -5.182 -12.037 1.00 41.23 H new ATOM 0 HA THR A 90 1.939 -6.749 -10.706 1.00 42.21 H new ATOM 0 HB THR A 90 4.846 -7.351 -11.424 1.00 41.00 H new ATOM 0 HG1 THR A 90 3.618 -6.943 -13.325 1.00 73.14 H new ATOM 0 HG21 THR A 90 4.209 -9.729 -11.287 1.00 71.15 H new ATOM 0 HG22 THR A 90 4.006 -8.893 -9.729 1.00 71.15 H new ATOM 0 HG23 THR A 90 2.584 -9.257 -10.735 1.00 71.15 H new ATOM 1495 N ILE A 91 2.672 -6.675 -8.329 1.00 72.43 N ATOM 1496 CA ILE A 91 3.004 -6.574 -6.895 1.00 22.51 C ATOM 1497 C ILE A 91 3.087 -7.991 -6.285 1.00 21.35 C ATOM 1498 O ILE A 91 2.167 -8.809 -6.452 1.00 54.52 O ATOM 1499 CB ILE A 91 1.986 -5.656 -6.082 1.00 51.30 C ATOM 1500 CG1 ILE A 91 0.514 -6.215 -6.021 1.00 22.22 C ATOM 1501 CG2 ILE A 91 1.988 -4.218 -6.655 1.00 65.23 C ATOM 1502 CD1 ILE A 91 -0.299 -6.083 -7.302 1.00 23.52 C ATOM 0 H ILE A 91 1.749 -7.072 -8.506 1.00 72.43 H new ATOM 0 HA ILE A 91 3.974 -6.083 -6.815 1.00 22.51 H new ATOM 0 HB ILE A 91 2.346 -5.654 -5.053 1.00 51.30 H new ATOM 0 HG12 ILE A 91 0.557 -7.269 -5.747 1.00 22.22 H new ATOM 0 HG13 ILE A 91 -0.017 -5.699 -5.221 1.00 22.22 H new ATOM 0 HG21 ILE A 91 1.289 -3.601 -6.091 1.00 65.23 H new ATOM 0 HG22 ILE A 91 2.990 -3.796 -6.576 1.00 65.23 H new ATOM 0 HG23 ILE A 91 1.687 -4.243 -7.702 1.00 65.23 H new ATOM 0 HD11 ILE A 91 -1.294 -6.499 -7.146 1.00 23.52 H new ATOM 0 HD12 ILE A 91 -0.384 -5.030 -7.572 1.00 23.52 H new ATOM 0 HD13 ILE A 91 0.199 -6.625 -8.106 1.00 23.52 H new ATOM 1514 N THR A 92 4.211 -8.286 -5.620 1.00 61.11 N ATOM 1515 CA THR A 92 4.453 -9.569 -4.959 1.00 34.44 C ATOM 1516 C THR A 92 4.097 -9.399 -3.477 1.00 12.44 C ATOM 1517 O THR A 92 4.831 -8.765 -2.728 1.00 33.52 O ATOM 1518 CB THR A 92 5.947 -10.006 -5.132 1.00 15.21 C ATOM 1519 OG1 THR A 92 6.270 -10.054 -6.533 1.00 30.23 O ATOM 1520 CG2 THR A 92 6.230 -11.377 -4.503 1.00 2.21 C ATOM 0 H THR A 92 4.986 -7.630 -5.526 1.00 61.11 H new ATOM 0 HA THR A 92 3.839 -10.351 -5.405 1.00 34.44 H new ATOM 0 HB THR A 92 6.566 -9.271 -4.617 1.00 15.21 H new ATOM 0 HG1 THR A 92 7.205 -10.326 -6.644 1.00 30.23 H new ATOM 0 HG21 THR A 92 7.279 -11.635 -4.650 1.00 2.21 H new ATOM 0 HG22 THR A 92 6.011 -11.340 -3.436 1.00 2.21 H new ATOM 0 HG23 THR A 92 5.601 -12.131 -4.976 1.00 2.21 H new ATOM 1528 N ARG A 93 2.957 -9.945 -3.070 1.00 54.12 N ATOM 1529 CA ARG A 93 2.385 -9.709 -1.741 1.00 4.10 C ATOM 1530 C ARG A 93 2.768 -10.855 -0.794 1.00 3.41 C ATOM 1531 O ARG A 93 2.381 -12.006 -1.016 1.00 23.14 O ATOM 1532 CB ARG A 93 0.855 -9.577 -1.896 1.00 64.44 C ATOM 1533 CG ARG A 93 0.090 -9.137 -0.631 1.00 14.15 C ATOM 1534 CD ARG A 93 -1.382 -8.817 -0.944 1.00 73.12 C ATOM 1535 NE ARG A 93 -1.483 -7.765 -1.983 1.00 44.01 N ATOM 1536 CZ ARG A 93 -2.078 -7.892 -3.181 1.00 34.20 C ATOM 1537 NH1 ARG A 93 -2.646 -9.041 -3.542 1.00 71.32 N ATOM 1538 NH2 ARG A 93 -2.071 -6.862 -4.020 1.00 1.12 N ATOM 0 H ARG A 93 2.397 -10.568 -3.652 1.00 54.12 H new ATOM 0 HA ARG A 93 2.778 -8.790 -1.305 1.00 4.10 H new ATOM 0 HB2 ARG A 93 0.649 -8.860 -2.691 1.00 64.44 H new ATOM 0 HB3 ARG A 93 0.457 -10.538 -2.223 1.00 64.44 H new ATOM 0 HG2 ARG A 93 0.140 -9.927 0.119 1.00 14.15 H new ATOM 0 HG3 ARG A 93 0.571 -8.258 -0.201 1.00 14.15 H new ATOM 0 HD2 ARG A 93 -1.891 -9.719 -1.283 1.00 73.12 H new ATOM 0 HD3 ARG A 93 -1.888 -8.488 -0.036 1.00 73.12 H new ATOM 0 HE ARG A 93 -1.062 -6.861 -1.769 1.00 44.01 H new ATOM 0 HH11 ARG A 93 -2.633 -9.838 -2.906 1.00 71.32 H new ATOM 0 HH12 ARG A 93 -3.094 -9.124 -4.454 1.00 71.32 H new ATOM 0 HH21 ARG A 93 -1.618 -5.989 -3.752 1.00 1.12 H new ATOM 0 HH22 ARG A 93 -2.519 -6.945 -4.933 1.00 1.12 H new ATOM 1552 N THR A 94 3.580 -10.545 0.218 1.00 54.33 N ATOM 1553 CA THR A 94 3.987 -11.502 1.252 1.00 21.33 C ATOM 1554 C THR A 94 3.737 -10.870 2.625 1.00 64.15 C ATOM 1555 O THR A 94 4.319 -9.832 2.925 1.00 34.54 O ATOM 1556 CB THR A 94 5.502 -11.862 1.101 1.00 31.44 C ATOM 1557 OG1 THR A 94 5.767 -12.304 -0.247 1.00 12.14 O ATOM 1558 CG2 THR A 94 5.926 -12.953 2.098 1.00 72.52 C ATOM 0 H THR A 94 3.978 -9.615 0.345 1.00 54.33 H new ATOM 0 HA THR A 94 3.407 -12.419 1.148 1.00 21.33 H new ATOM 0 HB THR A 94 6.083 -10.965 1.317 1.00 31.44 H new ATOM 0 HG1 THR A 94 6.717 -12.527 -0.337 1.00 12.14 H new ATOM 0 HG21 THR A 94 6.984 -13.177 1.964 1.00 72.52 H new ATOM 0 HG22 THR A 94 5.756 -12.602 3.116 1.00 72.52 H new ATOM 0 HG23 THR A 94 5.339 -13.855 1.922 1.00 72.52 H new ATOM 1566 N VAL A 95 2.875 -11.486 3.453 1.00 62.11 N ATOM 1567 CA VAL A 95 2.556 -10.948 4.782 1.00 23.34 C ATOM 1568 C VAL A 95 3.756 -11.190 5.726 1.00 52.32 C ATOM 1569 O VAL A 95 4.302 -12.302 5.801 1.00 3.24 O ATOM 1570 CB VAL A 95 1.211 -11.542 5.367 1.00 60.52 C ATOM 1571 CG1 VAL A 95 1.335 -13.037 5.745 1.00 50.45 C ATOM 1572 CG2 VAL A 95 0.702 -10.691 6.558 1.00 71.55 C ATOM 0 H VAL A 95 2.390 -12.353 3.224 1.00 62.11 H new ATOM 0 HA VAL A 95 2.385 -9.875 4.692 1.00 23.34 H new ATOM 0 HB VAL A 95 0.467 -11.490 4.572 1.00 60.52 H new ATOM 0 HG11 VAL A 95 0.384 -13.392 6.141 1.00 50.45 H new ATOM 0 HG12 VAL A 95 1.598 -13.616 4.860 1.00 50.45 H new ATOM 0 HG13 VAL A 95 2.110 -13.158 6.501 1.00 50.45 H new ATOM 0 HG21 VAL A 95 -0.223 -11.120 6.942 1.00 71.55 H new ATOM 0 HG22 VAL A 95 1.454 -10.683 7.347 1.00 71.55 H new ATOM 0 HG23 VAL A 95 0.517 -9.670 6.223 1.00 71.55 H new ATOM 1582 N ARG A 96 4.208 -10.115 6.387 1.00 31.41 N ATOM 1583 CA ARG A 96 5.413 -10.145 7.232 1.00 23.21 C ATOM 1584 C ARG A 96 5.049 -10.668 8.637 1.00 54.52 C ATOM 1585 O ARG A 96 5.768 -11.495 9.211 1.00 52.33 O ATOM 1586 CB ARG A 96 6.065 -8.737 7.292 1.00 11.24 C ATOM 1587 CG ARG A 96 7.506 -8.740 7.843 1.00 35.43 C ATOM 1588 CD ARG A 96 8.497 -9.507 6.932 1.00 63.22 C ATOM 1589 NE ARG A 96 9.798 -9.730 7.587 1.00 12.40 N ATOM 1590 CZ ARG A 96 10.991 -9.730 6.972 1.00 74.34 C ATOM 1591 NH1 ARG A 96 11.093 -9.514 5.663 1.00 3.24 N ATOM 1592 NH2 ARG A 96 12.086 -9.960 7.677 1.00 44.10 N ATOM 0 H ARG A 96 3.752 -9.203 6.352 1.00 31.41 H new ATOM 0 HA ARG A 96 6.146 -10.825 6.798 1.00 23.21 H new ATOM 0 HB2 ARG A 96 6.070 -8.306 6.291 1.00 11.24 H new ATOM 0 HB3 ARG A 96 5.449 -8.088 7.915 1.00 11.24 H new ATOM 0 HG2 ARG A 96 7.848 -7.711 7.959 1.00 35.43 H new ATOM 0 HG3 ARG A 96 7.509 -9.190 8.836 1.00 35.43 H new ATOM 0 HD2 ARG A 96 8.063 -10.467 6.654 1.00 63.22 H new ATOM 0 HD3 ARG A 96 8.648 -8.946 6.010 1.00 63.22 H new ATOM 0 HE ARG A 96 9.791 -9.899 8.593 1.00 12.40 H new ATOM 0 HH11 ARG A 96 10.255 -9.344 5.107 1.00 3.24 H new ATOM 0 HH12 ARG A 96 12.009 -9.518 5.215 1.00 3.24 H new ATOM 0 HH21 ARG A 96 12.020 -10.135 8.680 1.00 44.10 H new ATOM 0 HH22 ARG A 96 12.997 -9.962 7.218 1.00 44.10 H new ATOM 1606 N THR A 97 3.924 -10.171 9.178 1.00 64.32 N ATOM 1607 CA THR A 97 3.314 -10.725 10.388 1.00 14.33 C ATOM 1608 C THR A 97 2.582 -12.027 10.004 1.00 72.31 C ATOM 1609 O THR A 97 1.532 -11.991 9.371 1.00 25.01 O ATOM 1610 CB THR A 97 2.315 -9.710 11.036 1.00 40.33 C ATOM 1611 OG1 THR A 97 2.981 -8.453 11.233 1.00 43.23 O ATOM 1612 CG2 THR A 97 1.769 -10.214 12.384 1.00 44.53 C ATOM 0 H THR A 97 3.417 -9.377 8.787 1.00 64.32 H new ATOM 0 HA THR A 97 4.090 -10.929 11.125 1.00 14.33 H new ATOM 0 HB THR A 97 1.469 -9.596 10.358 1.00 40.33 H new ATOM 0 HG1 THR A 97 2.496 -7.928 11.903 1.00 43.23 H new ATOM 0 HG21 THR A 97 1.080 -9.477 12.796 1.00 44.53 H new ATOM 0 HG22 THR A 97 1.244 -11.157 12.234 1.00 44.53 H new ATOM 0 HG23 THR A 97 2.596 -10.365 13.078 1.00 44.53 H new