USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 606 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 79 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.00641 USER MOD Single : A 59 MET CE :methyl -154:sc= 0 (180deg=-0.148) USER MOD Single : A 60 THR OG1 : rot 100:sc= -2.52! USER MOD Single : A 63 MET CE :methyl 152:sc= -0.24 (180deg=-1.02) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 67 LYS NZ :NH3+ -132:sc= 0.96 (180deg=0.406) USER MOD Single : A 68 GLN : amide:sc= -3.74! K(o=-3.7!,f=-0.18) USER MOD Single : A 70 SER OG : rot -111:sc= 1.25 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= -0.0056 (180deg=-0.112) USER MOD Single : A 72 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.56) USER MOD Single : A 74 SER OG : rot -52:sc= 1.07 USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= -0.0391 (180deg=-0.336) USER MOD Single : A 76 MET CE :methyl -169:sc= 0 (180deg=-0.0615) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.13) USER MOD Single : A 83 SER OG : rot -81:sc= 1.18 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -91:sc= 0.0434 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -118:sc= 0.653 USER MOD Single : A 103 MET CE :methyl -177:sc= -2.31! (180deg=-2.5!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= -0.207 (180deg=-0.207) USER MOD Single : A 109 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc=-0.00807 X(o=-0.0081,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= -0.0902 (180deg=-0.0902) USER MOD Single : A 117 GLN : amide:sc= -0.478 X(o=-0.48,f=-0.89) USER MOD Single : A 120 HIS : no HD1:sc= -0.019 X(o=-0.019,f=-0.031) USER MOD Single : A 133 SER OG : rot 180:sc= -0.292 USER MOD Single : A 136 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0495) USER MOD ----------------------------------------------------------------- ATOM 16 N MET A 59 10.146 4.983 2.528 1.00 0.25 N ATOM 17 CA MET A 59 8.988 4.299 1.927 1.00 0.17 C ATOM 18 C MET A 59 8.179 5.156 0.941 1.00 0.20 C ATOM 19 O MET A 59 7.827 6.293 1.222 1.00 0.29 O ATOM 20 CB MET A 59 8.066 3.773 3.031 1.00 0.16 C ATOM 21 CG MET A 59 7.945 4.708 4.238 1.00 0.25 C ATOM 22 SD MET A 59 6.883 4.041 5.535 1.00 0.75 S ATOM 23 CE MET A 59 7.082 5.285 6.807 1.00 0.59 C ATOM 0 HA MET A 59 9.401 3.480 1.339 1.00 0.17 H new ATOM 0 HB2 MET A 59 7.073 3.606 2.613 1.00 0.16 H new ATOM 0 HB3 MET A 59 8.436 2.805 3.369 1.00 0.16 H new ATOM 0 HG2 MET A 59 8.938 4.895 4.648 1.00 0.25 H new ATOM 0 HG3 MET A 59 7.549 5.669 3.909 1.00 0.25 H new ATOM 0 HE1 MET A 59 6.899 4.839 7.784 1.00 0.59 H new ATOM 0 HE2 MET A 59 8.097 5.681 6.773 1.00 0.59 H new ATOM 0 HE3 MET A 59 6.371 6.094 6.639 1.00 0.59 H new ATOM 33 N THR A 60 7.881 4.557 -0.212 1.00 0.19 N ATOM 34 CA THR A 60 7.077 5.165 -1.275 1.00 0.22 C ATOM 35 C THR A 60 5.587 4.991 -1.012 1.00 0.18 C ATOM 36 O THR A 60 5.107 3.883 -0.846 1.00 0.17 O ATOM 37 CB THR A 60 7.421 4.509 -2.629 1.00 0.29 C ATOM 38 OG1 THR A 60 8.796 4.749 -2.954 1.00 0.37 O ATOM 39 CG2 THR A 60 6.511 4.997 -3.750 1.00 0.34 C ATOM 0 H THR A 60 8.198 3.615 -0.439 1.00 0.19 H new ATOM 0 HA THR A 60 7.308 6.230 -1.298 1.00 0.22 H new ATOM 0 HB THR A 60 7.257 3.436 -2.529 1.00 0.29 H new ATOM 0 HG1 THR A 60 9.328 3.956 -2.732 1.00 0.37 H new ATOM 0 HG21 THR A 60 6.790 4.509 -4.684 1.00 0.34 H new ATOM 0 HG22 THR A 60 5.476 4.756 -3.509 1.00 0.34 H new ATOM 0 HG23 THR A 60 6.616 6.076 -3.860 1.00 0.34 H new ATOM 47 N ARG A 61 4.863 6.082 -1.037 1.00 0.20 N ATOM 48 CA ARG A 61 3.482 6.091 -0.606 1.00 0.18 C ATOM 49 C ARG A 61 2.522 6.028 -1.799 1.00 0.17 C ATOM 50 O ARG A 61 2.504 6.930 -2.638 1.00 0.18 O ATOM 51 CB ARG A 61 3.254 7.364 0.194 1.00 0.22 C ATOM 52 CG ARG A 61 2.079 7.313 1.142 1.00 0.33 C ATOM 53 CD ARG A 61 1.927 8.649 1.848 1.00 0.42 C ATOM 54 NE ARG A 61 2.369 8.591 3.237 1.00 0.84 N ATOM 55 CZ ARG A 61 2.206 9.578 4.113 1.00 1.13 C ATOM 56 NH1 ARG A 61 1.610 10.708 3.751 1.00 1.32 N ATOM 57 NH2 ARG A 61 2.643 9.428 5.355 1.00 1.91 N ATOM 0 H ARG A 61 5.210 6.987 -1.355 1.00 0.20 H new ATOM 0 HA ARG A 61 3.284 5.212 0.007 1.00 0.18 H new ATOM 0 HB2 ARG A 61 4.155 7.584 0.766 1.00 0.22 H new ATOM 0 HB3 ARG A 61 3.108 8.192 -0.500 1.00 0.22 H new ATOM 0 HG2 ARG A 61 1.168 7.076 0.593 1.00 0.33 H new ATOM 0 HG3 ARG A 61 2.226 6.519 1.874 1.00 0.33 H new ATOM 0 HD2 ARG A 61 2.503 9.407 1.316 1.00 0.42 H new ATOM 0 HD3 ARG A 61 0.883 8.960 1.813 1.00 0.42 H new ATOM 0 HE ARG A 61 2.832 7.740 3.556 1.00 0.84 H new ATOM 0 HH11 ARG A 61 1.273 10.824 2.795 1.00 1.32 H new ATOM 0 HH12 ARG A 61 1.489 11.460 4.429 1.00 1.32 H new ATOM 0 HH21 ARG A 61 3.101 8.560 5.633 1.00 1.91 H new ATOM 0 HH22 ARG A 61 2.522 10.181 6.033 1.00 1.91 H new ATOM 71 N LEU A 62 1.743 4.953 -1.882 1.00 0.16 N ATOM 72 CA LEU A 62 0.702 4.826 -2.900 1.00 0.15 C ATOM 73 C LEU A 62 -0.670 4.908 -2.261 1.00 0.12 C ATOM 74 O LEU A 62 -0.950 4.209 -1.290 1.00 0.20 O ATOM 75 CB LEU A 62 0.789 3.514 -3.715 1.00 0.23 C ATOM 76 CG LEU A 62 1.795 2.459 -3.263 1.00 0.20 C ATOM 77 CD1 LEU A 62 1.545 1.182 -4.036 1.00 0.28 C ATOM 78 CD2 LEU A 62 3.232 2.919 -3.483 1.00 0.32 C ATOM 0 H LEU A 62 1.813 4.153 -1.253 1.00 0.16 H new ATOM 0 HA LEU A 62 0.862 5.653 -3.592 1.00 0.15 H new ATOM 0 HB2 LEU A 62 -0.200 3.055 -3.716 1.00 0.23 H new ATOM 0 HB3 LEU A 62 1.020 3.776 -4.747 1.00 0.23 H new ATOM 0 HG LEU A 62 1.662 2.291 -2.194 1.00 0.20 H new ATOM 0 HD11 LEU A 62 2.258 0.420 -3.721 1.00 0.28 H new ATOM 0 HD12 LEU A 62 0.531 0.832 -3.842 1.00 0.28 H new ATOM 0 HD13 LEU A 62 1.665 1.373 -5.102 1.00 0.28 H new ATOM 0 HD21 LEU A 62 3.918 2.141 -3.149 1.00 0.32 H new ATOM 0 HD22 LEU A 62 3.393 3.114 -4.543 1.00 0.32 H new ATOM 0 HD23 LEU A 62 3.413 3.831 -2.914 1.00 0.32 H new ATOM 90 N MET A 63 -1.520 5.764 -2.800 1.00 0.10 N ATOM 91 CA MET A 63 -2.878 5.881 -2.305 1.00 0.13 C ATOM 92 C MET A 63 -3.756 4.808 -2.922 1.00 0.18 C ATOM 93 O MET A 63 -3.663 4.512 -4.114 1.00 0.39 O ATOM 94 CB MET A 63 -3.462 7.276 -2.570 1.00 0.18 C ATOM 95 CG MET A 63 -3.705 7.610 -4.038 1.00 0.29 C ATOM 96 SD MET A 63 -5.329 7.082 -4.635 1.00 1.09 S ATOM 97 CE MET A 63 -6.410 8.113 -3.645 1.00 1.80 C ATOM 0 H MET A 63 -1.294 6.385 -3.577 1.00 0.10 H new ATOM 0 HA MET A 63 -2.852 5.739 -1.225 1.00 0.13 H new ATOM 0 HB2 MET A 63 -4.406 7.365 -2.033 1.00 0.18 H new ATOM 0 HB3 MET A 63 -2.785 8.021 -2.152 1.00 0.18 H new ATOM 0 HG2 MET A 63 -3.606 8.686 -4.179 1.00 0.29 H new ATOM 0 HG3 MET A 63 -2.932 7.137 -4.644 1.00 0.29 H new ATOM 0 HE1 MET A 63 -7.339 8.292 -4.187 1.00 1.80 H new ATOM 0 HE2 MET A 63 -6.631 7.610 -2.704 1.00 1.80 H new ATOM 0 HE3 MET A 63 -5.919 9.065 -3.441 1.00 1.80 H new ATOM 107 N VAL A 64 -4.564 4.202 -2.083 1.00 0.11 N ATOM 108 CA VAL A 64 -5.538 3.222 -2.502 1.00 0.11 C ATOM 109 C VAL A 64 -6.918 3.727 -2.115 1.00 0.16 C ATOM 110 O VAL A 64 -7.039 4.489 -1.166 1.00 0.42 O ATOM 111 CB VAL A 64 -5.275 1.861 -1.820 1.00 0.14 C ATOM 112 CG1 VAL A 64 -6.250 0.817 -2.305 1.00 0.17 C ATOM 113 CG2 VAL A 64 -3.849 1.390 -2.060 1.00 0.18 C ATOM 0 H VAL A 64 -4.563 4.378 -1.078 1.00 0.11 H new ATOM 0 HA VAL A 64 -5.469 3.080 -3.580 1.00 0.11 H new ATOM 0 HB VAL A 64 -5.416 2.002 -0.748 1.00 0.14 H new ATOM 0 HG11 VAL A 64 -6.043 -0.132 -1.810 1.00 0.17 H new ATOM 0 HG12 VAL A 64 -7.267 1.133 -2.073 1.00 0.17 H new ATOM 0 HG13 VAL A 64 -6.145 0.694 -3.383 1.00 0.17 H new ATOM 0 HG21 VAL A 64 -3.695 0.430 -1.568 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.677 1.280 -3.131 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -3.151 2.122 -1.654 1.00 0.18 H new ATOM 123 N THR A 65 -7.949 3.353 -2.847 1.00 0.19 N ATOM 124 CA THR A 65 -9.298 3.748 -2.478 1.00 0.19 C ATOM 125 C THR A 65 -10.237 2.558 -2.426 1.00 0.20 C ATOM 126 O THR A 65 -10.302 1.758 -3.359 1.00 0.24 O ATOM 127 CB THR A 65 -9.870 4.806 -3.426 1.00 0.22 C ATOM 128 OG1 THR A 65 -9.233 4.716 -4.710 1.00 0.29 O ATOM 129 CG2 THR A 65 -9.695 6.200 -2.844 1.00 0.25 C ATOM 0 H THR A 65 -7.883 2.783 -3.691 1.00 0.19 H new ATOM 0 HA THR A 65 -9.222 4.182 -1.481 1.00 0.19 H new ATOM 0 HB THR A 65 -10.937 4.619 -3.549 1.00 0.22 H new ATOM 0 HG1 THR A 65 -9.607 5.395 -5.309 1.00 0.29 H new ATOM 0 HG21 THR A 65 -10.108 6.937 -3.533 1.00 0.25 H new ATOM 0 HG22 THR A 65 -10.217 6.264 -1.889 1.00 0.25 H new ATOM 0 HG23 THR A 65 -8.634 6.400 -2.692 1.00 0.25 H new ATOM 137 N GLU A 66 -10.962 2.448 -1.330 1.00 0.20 N ATOM 138 CA GLU A 66 -11.888 1.355 -1.136 1.00 0.22 C ATOM 139 C GLU A 66 -13.309 1.793 -1.483 1.00 0.24 C ATOM 140 O GLU A 66 -13.902 2.630 -0.803 1.00 0.31 O ATOM 141 CB GLU A 66 -11.827 0.833 0.302 1.00 0.25 C ATOM 142 CG GLU A 66 -10.453 0.331 0.721 1.00 0.35 C ATOM 143 CD GLU A 66 -9.479 1.447 1.040 1.00 0.54 C ATOM 144 OE1 GLU A 66 -9.708 2.163 2.035 1.00 0.79 O ATOM 145 OE2 GLU A 66 -8.489 1.611 0.298 1.00 0.92 O ATOM 0 H GLU A 66 -10.925 3.110 -0.555 1.00 0.20 H new ATOM 0 HA GLU A 66 -11.599 0.544 -1.804 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -12.134 1.630 0.980 1.00 0.25 H new ATOM 0 HB3 GLU A 66 -12.548 0.023 0.415 1.00 0.25 H new ATOM 0 HG2 GLU A 66 -10.559 -0.310 1.596 1.00 0.35 H new ATOM 0 HG3 GLU A 66 -10.040 -0.285 -0.078 1.00 0.35 H new ATOM 152 N LYS A 67 -13.835 1.226 -2.556 1.00 0.23 N ATOM 153 CA LYS A 67 -15.200 1.492 -3.002 1.00 0.26 C ATOM 154 C LYS A 67 -15.732 0.243 -3.685 1.00 0.26 C ATOM 155 O LYS A 67 -15.070 -0.773 -3.640 1.00 0.27 O ATOM 156 CB LYS A 67 -15.257 2.706 -3.948 1.00 0.32 C ATOM 157 CG LYS A 67 -14.316 2.622 -5.146 1.00 0.36 C ATOM 158 CD LYS A 67 -12.925 3.142 -4.812 1.00 0.34 C ATOM 159 CE LYS A 67 -11.931 2.867 -5.932 1.00 0.53 C ATOM 160 NZ LYS A 67 -12.316 3.523 -7.209 1.00 0.93 N ATOM 0 H LYS A 67 -13.329 0.566 -3.147 1.00 0.23 H new ATOM 0 HA LYS A 67 -15.822 1.737 -2.141 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -16.278 2.819 -4.312 1.00 0.32 H new ATOM 0 HB3 LYS A 67 -15.020 3.605 -3.379 1.00 0.32 H new ATOM 0 HG2 LYS A 67 -14.246 1.587 -5.481 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -14.730 3.198 -5.974 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -12.974 4.215 -4.625 1.00 0.34 H new ATOM 0 HD3 LYS A 67 -12.574 2.674 -3.892 1.00 0.34 H new ATOM 0 HE2 LYS A 67 -10.944 3.217 -5.631 1.00 0.53 H new ATOM 0 HE3 LYS A 67 -11.854 1.791 -6.089 1.00 0.53 H new ATOM 0 HZ1 LYS A 67 -12.250 2.835 -7.986 1.00 0.93 H new ATOM 0 HZ2 LYS A 67 -13.293 3.874 -7.139 1.00 0.93 H new ATOM 0 HZ3 LYS A 67 -11.675 4.320 -7.397 1.00 0.93 H new ATOM 174 N GLN A 68 -16.897 0.294 -4.319 1.00 0.33 N ATOM 175 CA GLN A 68 -17.450 -0.901 -4.978 1.00 0.41 C ATOM 176 C GLN A 68 -16.407 -1.562 -5.892 1.00 0.42 C ATOM 177 O GLN A 68 -16.448 -2.768 -6.139 1.00 0.53 O ATOM 178 CB GLN A 68 -18.717 -0.547 -5.767 1.00 0.49 C ATOM 179 CG GLN A 68 -19.253 -1.675 -6.648 1.00 1.52 C ATOM 180 CD GLN A 68 -20.001 -2.775 -5.897 1.00 2.26 C ATOM 181 OE1 GLN A 68 -20.904 -3.401 -6.452 1.00 2.79 O ATOM 182 NE2 GLN A 68 -19.641 -3.032 -4.646 1.00 3.05 N ATOM 0 H GLN A 68 -17.475 1.131 -4.395 1.00 0.33 H new ATOM 0 HA GLN A 68 -17.718 -1.618 -4.202 1.00 0.41 H new ATOM 0 HB2 GLN A 68 -19.496 -0.251 -5.064 1.00 0.49 H new ATOM 0 HB3 GLN A 68 -18.508 0.319 -6.395 1.00 0.49 H new ATOM 0 HG2 GLN A 68 -19.920 -1.247 -7.396 1.00 1.52 H new ATOM 0 HG3 GLN A 68 -18.418 -2.125 -7.186 1.00 1.52 H new ATOM 0 HE21 GLN A 68 -18.889 -2.497 -4.212 1.00 3.05 H new ATOM 0 HE22 GLN A 68 -20.116 -3.765 -4.119 1.00 3.05 H new ATOM 191 N GLU A 69 -15.466 -0.756 -6.358 1.00 0.36 N ATOM 192 CA GLU A 69 -14.341 -1.236 -7.140 1.00 0.40 C ATOM 193 C GLU A 69 -13.349 -2.020 -6.275 1.00 0.33 C ATOM 194 O GLU A 69 -13.108 -3.202 -6.504 1.00 0.39 O ATOM 195 CB GLU A 69 -13.626 -0.041 -7.747 1.00 0.45 C ATOM 196 CG GLU A 69 -12.505 -0.408 -8.706 1.00 1.10 C ATOM 197 CD GLU A 69 -11.986 0.787 -9.474 1.00 1.52 C ATOM 198 OE1 GLU A 69 -11.323 1.647 -8.858 1.00 2.34 O ATOM 199 OE2 GLU A 69 -12.210 0.862 -10.700 1.00 1.63 O ATOM 0 H GLU A 69 -15.462 0.252 -6.203 1.00 0.36 H new ATOM 0 HA GLU A 69 -14.719 -1.903 -7.915 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -14.354 0.574 -8.275 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -13.216 0.570 -6.943 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -11.686 -0.860 -8.147 1.00 1.10 H new ATOM 0 HG3 GLU A 69 -12.864 -1.160 -9.409 1.00 1.10 H new ATOM 206 N SER A 70 -12.792 -1.355 -5.267 1.00 0.27 N ATOM 207 CA SER A 70 -11.663 -1.906 -4.527 1.00 0.22 C ATOM 208 C SER A 70 -11.980 -2.131 -3.053 1.00 0.17 C ATOM 209 O SER A 70 -11.072 -2.233 -2.237 1.00 0.16 O ATOM 210 CB SER A 70 -10.476 -0.957 -4.644 1.00 0.26 C ATOM 211 OG SER A 70 -10.408 -0.393 -5.944 1.00 0.59 O ATOM 0 H SER A 70 -13.103 -0.438 -4.946 1.00 0.27 H new ATOM 0 HA SER A 70 -11.431 -2.878 -4.963 1.00 0.22 H new ATOM 0 HB2 SER A 70 -10.565 -0.163 -3.902 1.00 0.26 H new ATOM 0 HB3 SER A 70 -9.553 -1.494 -4.427 1.00 0.26 H new ATOM 0 HG SER A 70 -9.625 -0.748 -6.414 1.00 0.59 H new ATOM 217 N LYS A 71 -13.259 -2.201 -2.700 1.00 0.19 N ATOM 218 CA LYS A 71 -13.645 -2.485 -1.324 1.00 0.20 C ATOM 219 C LYS A 71 -13.051 -3.804 -0.849 1.00 0.19 C ATOM 220 O LYS A 71 -12.861 -4.014 0.345 1.00 0.22 O ATOM 221 CB LYS A 71 -15.166 -2.526 -1.156 1.00 0.32 C ATOM 222 CG LYS A 71 -15.759 -1.239 -0.596 1.00 0.59 C ATOM 223 CD LYS A 71 -15.271 -0.951 0.822 1.00 0.42 C ATOM 224 CE LYS A 71 -15.725 -2.011 1.818 1.00 1.12 C ATOM 225 NZ LYS A 71 -17.204 -2.060 1.951 1.00 1.70 N ATOM 0 H LYS A 71 -14.040 -2.066 -3.342 1.00 0.19 H new ATOM 0 HA LYS A 71 -13.251 -1.672 -0.715 1.00 0.20 H new ATOM 0 HB2 LYS A 71 -15.623 -2.735 -2.123 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -15.427 -3.353 -0.495 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -15.494 -0.405 -1.246 1.00 0.59 H new ATOM 0 HG3 LYS A 71 -16.847 -1.311 -0.597 1.00 0.59 H new ATOM 0 HD2 LYS A 71 -14.182 -0.896 0.825 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -15.640 0.024 1.140 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -15.358 -2.987 1.500 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -15.281 -1.806 2.792 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -17.461 -2.683 2.743 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 -17.568 -1.103 2.131 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 -17.620 -2.429 1.072 1.00 1.70 H new ATOM 239 N ASN A 72 -12.767 -4.686 -1.796 1.00 0.19 N ATOM 240 CA ASN A 72 -12.102 -5.953 -1.512 1.00 0.22 C ATOM 241 C ASN A 72 -10.771 -5.715 -0.795 1.00 0.20 C ATOM 242 O ASN A 72 -10.340 -6.510 0.040 1.00 0.27 O ATOM 243 CB ASN A 72 -11.859 -6.697 -2.828 1.00 0.26 C ATOM 244 CG ASN A 72 -11.233 -8.066 -2.630 1.00 1.15 C ATOM 245 OD1 ASN A 72 -11.458 -8.728 -1.617 1.00 2.13 O ATOM 246 ND2 ASN A 72 -10.447 -8.502 -3.599 1.00 1.62 N ATOM 0 H ASN A 72 -12.990 -4.546 -2.781 1.00 0.19 H new ATOM 0 HA ASN A 72 -12.739 -6.552 -0.861 1.00 0.22 H new ATOM 0 HB2 ASN A 72 -12.806 -6.810 -3.355 1.00 0.26 H new ATOM 0 HB3 ASN A 72 -11.210 -6.096 -3.464 1.00 0.26 H new ATOM 0 HD21 ASN A 72 -10.002 -9.417 -3.522 1.00 1.62 H new ATOM 0 HD22 ASN A 72 -10.285 -7.924 -4.423 1.00 1.62 H new ATOM 253 N PHE A 73 -10.148 -4.588 -1.108 1.00 0.16 N ATOM 254 CA PHE A 73 -8.843 -4.244 -0.572 1.00 0.14 C ATOM 255 C PHE A 73 -8.922 -3.809 0.887 1.00 0.14 C ATOM 256 O PHE A 73 -7.957 -3.983 1.634 1.00 0.14 O ATOM 257 CB PHE A 73 -8.218 -3.131 -1.423 1.00 0.14 C ATOM 258 CG PHE A 73 -6.896 -2.646 -0.910 1.00 0.13 C ATOM 259 CD1 PHE A 73 -6.830 -1.623 0.018 1.00 0.17 C ATOM 260 CD2 PHE A 73 -5.717 -3.203 -1.375 1.00 0.14 C ATOM 261 CE1 PHE A 73 -5.612 -1.162 0.467 1.00 0.19 C ATOM 262 CE2 PHE A 73 -4.501 -2.748 -0.922 1.00 0.16 C ATOM 263 CZ PHE A 73 -4.461 -1.775 0.075 1.00 0.15 C ATOM 0 H PHE A 73 -10.535 -3.888 -1.741 1.00 0.16 H new ATOM 0 HA PHE A 73 -8.217 -5.136 -0.610 1.00 0.14 H new ATOM 0 HB2 PHE A 73 -8.090 -3.495 -2.443 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -8.910 -2.290 -1.469 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -7.741 -1.182 0.394 1.00 0.17 H new ATOM 0 HD2 PHE A 73 -5.753 -4.002 -2.100 1.00 0.14 H new ATOM 0 HE1 PHE A 73 -5.570 -0.312 1.132 1.00 0.19 H new ATOM 0 HE2 PHE A 73 -3.584 -3.142 -1.336 1.00 0.16 H new ATOM 0 HZ PHE A 73 -3.521 -1.508 0.535 1.00 0.15 H new ATOM 273 N SER A 74 -10.071 -3.267 1.292 1.00 0.16 N ATOM 274 CA SER A 74 -10.224 -2.675 2.622 1.00 0.18 C ATOM 275 C SER A 74 -9.704 -3.609 3.715 1.00 0.18 C ATOM 276 O SER A 74 -8.882 -3.221 4.544 1.00 0.24 O ATOM 277 CB SER A 74 -11.686 -2.321 2.890 1.00 0.23 C ATOM 278 OG SER A 74 -12.518 -3.472 2.845 1.00 0.71 O ATOM 0 H SER A 74 -10.912 -3.226 0.716 1.00 0.16 H new ATOM 0 HA SER A 74 -9.628 -1.763 2.643 1.00 0.18 H new ATOM 0 HB2 SER A 74 -11.773 -1.846 3.867 1.00 0.23 H new ATOM 0 HB3 SER A 74 -12.027 -1.595 2.151 1.00 0.23 H new ATOM 0 HG SER A 74 -12.368 -3.952 2.004 1.00 0.71 H new ATOM 284 N LYS A 75 -10.177 -4.845 3.701 1.00 0.16 N ATOM 285 CA LYS A 75 -9.778 -5.821 4.698 1.00 0.18 C ATOM 286 C LYS A 75 -8.521 -6.568 4.286 1.00 0.15 C ATOM 287 O LYS A 75 -7.925 -7.259 5.104 1.00 0.20 O ATOM 288 CB LYS A 75 -10.905 -6.805 4.977 1.00 0.24 C ATOM 289 CG LYS A 75 -12.098 -6.172 5.675 1.00 0.76 C ATOM 290 CD LYS A 75 -11.710 -5.616 7.037 1.00 0.90 C ATOM 291 CE LYS A 75 -12.910 -5.032 7.763 1.00 1.87 C ATOM 292 NZ LYS A 75 -13.984 -6.043 7.964 1.00 2.17 N ATOM 0 H LYS A 75 -10.839 -5.195 3.008 1.00 0.16 H new ATOM 0 HA LYS A 75 -9.556 -5.271 5.613 1.00 0.18 H new ATOM 0 HB2 LYS A 75 -11.235 -7.245 4.036 1.00 0.24 H new ATOM 0 HB3 LYS A 75 -10.523 -7.619 5.593 1.00 0.24 H new ATOM 0 HG2 LYS A 75 -12.502 -5.372 5.055 1.00 0.76 H new ATOM 0 HG3 LYS A 75 -12.888 -6.913 5.794 1.00 0.76 H new ATOM 0 HD2 LYS A 75 -11.268 -6.408 7.642 1.00 0.90 H new ATOM 0 HD3 LYS A 75 -10.948 -4.846 6.913 1.00 0.90 H new ATOM 0 HE2 LYS A 75 -12.594 -4.641 8.730 1.00 1.87 H new ATOM 0 HE3 LYS A 75 -13.305 -4.191 7.193 1.00 1.87 H new ATOM 0 HZ1 LYS A 75 -14.663 -5.693 8.670 1.00 2.17 H new ATOM 0 HZ2 LYS A 75 -14.476 -6.210 7.063 1.00 2.17 H new ATOM 0 HZ3 LYS A 75 -13.564 -6.933 8.300 1.00 2.17 H new ATOM 306 N MET A 76 -8.121 -6.447 3.022 1.00 0.13 N ATOM 307 CA MET A 76 -6.868 -7.049 2.581 1.00 0.15 C ATOM 308 C MET A 76 -5.723 -6.384 3.305 1.00 0.16 C ATOM 309 O MET A 76 -4.869 -7.043 3.891 1.00 0.20 O ATOM 310 CB MET A 76 -6.642 -6.889 1.080 1.00 0.17 C ATOM 311 CG MET A 76 -5.408 -7.642 0.593 1.00 0.23 C ATOM 312 SD MET A 76 -5.800 -8.965 -0.571 1.00 0.51 S ATOM 313 CE MET A 76 -6.803 -10.041 0.451 1.00 1.35 C ATOM 0 H MET A 76 -8.636 -5.947 2.298 1.00 0.13 H new ATOM 0 HA MET A 76 -6.921 -8.114 2.805 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.519 -7.249 0.543 1.00 0.17 H new ATOM 0 HB3 MET A 76 -6.535 -5.831 0.842 1.00 0.17 H new ATOM 0 HG2 MET A 76 -4.724 -6.939 0.118 1.00 0.23 H new ATOM 0 HG3 MET A 76 -4.885 -8.064 1.451 1.00 0.23 H new ATOM 0 HE1 MET A 76 -6.957 -10.990 -0.062 1.00 1.35 H new ATOM 0 HE2 MET A 76 -6.296 -10.219 1.399 1.00 1.35 H new ATOM 0 HE3 MET A 76 -7.767 -9.569 0.639 1.00 1.35 H new ATOM 323 N ALA A 77 -5.729 -5.061 3.270 1.00 0.15 N ATOM 324 CA ALA A 77 -4.702 -4.276 3.934 1.00 0.19 C ATOM 325 C ALA A 77 -4.753 -4.477 5.444 1.00 0.26 C ATOM 326 O ALA A 77 -3.762 -4.294 6.144 1.00 0.47 O ATOM 327 CB ALA A 77 -4.850 -2.806 3.583 1.00 0.17 C ATOM 0 H ALA A 77 -6.436 -4.507 2.787 1.00 0.15 H new ATOM 0 HA ALA A 77 -3.729 -4.620 3.583 1.00 0.19 H new ATOM 0 HB1 ALA A 77 -4.074 -2.231 4.088 1.00 0.17 H new ATOM 0 HB2 ALA A 77 -4.753 -2.678 2.505 1.00 0.17 H new ATOM 0 HB3 ALA A 77 -5.830 -2.452 3.904 1.00 0.17 H new ATOM 333 N LYS A 78 -5.914 -4.874 5.934 1.00 0.17 N ATOM 334 CA LYS A 78 -6.112 -5.094 7.350 1.00 0.21 C ATOM 335 C LYS A 78 -6.003 -6.575 7.681 1.00 0.19 C ATOM 336 O LYS A 78 -6.278 -7.001 8.801 1.00 0.33 O ATOM 337 CB LYS A 78 -7.476 -4.551 7.742 1.00 0.32 C ATOM 338 CG LYS A 78 -7.631 -3.088 7.382 1.00 0.54 C ATOM 339 CD LYS A 78 -7.689 -2.209 8.612 1.00 0.46 C ATOM 340 CE LYS A 78 -9.115 -1.990 9.083 1.00 0.58 C ATOM 341 NZ LYS A 78 -9.162 -1.314 10.407 1.00 1.30 N ATOM 0 H LYS A 78 -6.740 -5.051 5.363 1.00 0.17 H new ATOM 0 HA LYS A 78 -5.339 -4.573 7.915 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -8.253 -5.131 7.244 1.00 0.32 H new ATOM 0 HB3 LYS A 78 -7.622 -4.677 8.815 1.00 0.32 H new ATOM 0 HG2 LYS A 78 -6.796 -2.778 6.753 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -8.540 -2.952 6.795 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -7.108 -2.666 9.413 1.00 0.46 H new ATOM 0 HD3 LYS A 78 -7.227 -1.246 8.393 1.00 0.46 H new ATOM 0 HE2 LYS A 78 -9.652 -1.389 8.349 1.00 0.58 H new ATOM 0 HE3 LYS A 78 -9.628 -2.950 9.146 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 -10.153 -1.182 10.694 1.00 1.30 H new ATOM 0 HZ2 LYS A 78 -8.672 -1.899 11.113 1.00 1.30 H new ATOM 0 HZ3 LYS A 78 -8.695 -0.387 10.340 1.00 1.30 H new ATOM 355 N SER A 79 -5.592 -7.349 6.694 1.00 0.13 N ATOM 356 CA SER A 79 -5.450 -8.786 6.854 1.00 0.14 C ATOM 357 C SER A 79 -4.059 -9.110 7.394 1.00 0.15 C ATOM 358 O SER A 79 -3.149 -8.289 7.293 1.00 0.17 O ATOM 359 CB SER A 79 -5.694 -9.490 5.517 1.00 0.21 C ATOM 360 OG SER A 79 -5.648 -10.900 5.651 1.00 0.30 O ATOM 0 H SER A 79 -5.349 -7.004 5.765 1.00 0.13 H new ATOM 0 HA SER A 79 -6.191 -9.145 7.568 1.00 0.14 H new ATOM 0 HB2 SER A 79 -6.666 -9.194 5.122 1.00 0.21 H new ATOM 0 HB3 SER A 79 -4.944 -9.168 4.794 1.00 0.21 H new ATOM 0 HG SER A 79 -5.810 -11.317 4.779 1.00 0.30 H new ATOM 366 N GLN A 80 -3.895 -10.305 7.952 1.00 0.26 N ATOM 367 CA GLN A 80 -2.637 -10.704 8.581 1.00 0.33 C ATOM 368 C GLN A 80 -1.480 -10.689 7.585 1.00 0.27 C ATOM 369 O GLN A 80 -0.332 -10.464 7.963 1.00 0.32 O ATOM 370 CB GLN A 80 -2.765 -12.096 9.202 1.00 0.45 C ATOM 371 CG GLN A 80 -3.837 -12.196 10.277 1.00 1.51 C ATOM 372 CD GLN A 80 -3.646 -11.194 11.401 1.00 1.98 C ATOM 373 OE1 GLN A 80 -2.957 -11.470 12.385 1.00 2.65 O ATOM 374 NE2 GLN A 80 -4.278 -10.035 11.282 1.00 2.42 N ATOM 0 H GLN A 80 -4.622 -11.020 7.982 1.00 0.26 H new ATOM 0 HA GLN A 80 -2.421 -9.978 9.365 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -2.987 -12.816 8.414 1.00 0.45 H new ATOM 0 HB3 GLN A 80 -1.805 -12.381 9.633 1.00 0.45 H new ATOM 0 HG2 GLN A 80 -4.815 -12.041 9.822 1.00 1.51 H new ATOM 0 HG3 GLN A 80 -3.834 -13.204 10.692 1.00 1.51 H new ATOM 0 HE21 GLN A 80 -4.839 -9.843 10.452 1.00 2.42 H new ATOM 0 HE22 GLN A 80 -4.203 -9.335 12.020 1.00 2.42 H new ATOM 383 N SER A 81 -1.786 -10.921 6.317 1.00 0.24 N ATOM 384 CA SER A 81 -0.769 -10.932 5.279 1.00 0.22 C ATOM 385 C SER A 81 -0.287 -9.516 4.957 1.00 0.16 C ATOM 386 O SER A 81 0.906 -9.218 5.047 1.00 0.18 O ATOM 387 CB SER A 81 -1.316 -11.609 4.022 1.00 0.27 C ATOM 388 OG SER A 81 -2.569 -11.058 3.647 1.00 0.99 O ATOM 0 H SER A 81 -2.732 -11.104 5.983 1.00 0.24 H new ATOM 0 HA SER A 81 0.087 -11.497 5.646 1.00 0.22 H new ATOM 0 HB2 SER A 81 -0.605 -11.492 3.204 1.00 0.27 H new ATOM 0 HB3 SER A 81 -1.425 -12.679 4.200 1.00 0.27 H new ATOM 0 HG SER A 81 -2.896 -11.507 2.840 1.00 0.99 H new ATOM 394 N PHE A 82 -1.215 -8.634 4.612 1.00 0.12 N ATOM 395 CA PHE A 82 -0.845 -7.311 4.142 1.00 0.11 C ATOM 396 C PHE A 82 -0.519 -6.366 5.298 1.00 0.12 C ATOM 397 O PHE A 82 0.119 -5.346 5.099 1.00 0.14 O ATOM 398 CB PHE A 82 -1.918 -6.700 3.245 1.00 0.12 C ATOM 399 CG PHE A 82 -1.332 -5.877 2.136 1.00 0.11 C ATOM 400 CD1 PHE A 82 -0.400 -6.431 1.276 1.00 0.09 C ATOM 401 CD2 PHE A 82 -1.688 -4.551 1.967 1.00 0.14 C ATOM 402 CE1 PHE A 82 0.166 -5.680 0.269 1.00 0.10 C ATOM 403 CE2 PHE A 82 -1.129 -3.795 0.964 1.00 0.13 C ATOM 404 CZ PHE A 82 -0.197 -4.356 0.115 1.00 0.09 C ATOM 0 H PHE A 82 -2.219 -8.810 4.649 1.00 0.12 H new ATOM 0 HA PHE A 82 0.058 -7.441 3.545 1.00 0.11 H new ATOM 0 HB2 PHE A 82 -2.529 -7.496 2.820 1.00 0.12 H new ATOM 0 HB3 PHE A 82 -2.580 -6.077 3.847 1.00 0.12 H new ATOM 0 HD1 PHE A 82 -0.113 -7.465 1.396 1.00 0.09 H new ATOM 0 HD2 PHE A 82 -2.414 -4.104 2.631 1.00 0.14 H new ATOM 0 HE1 PHE A 82 0.890 -6.125 -0.397 1.00 0.10 H new ATOM 0 HE2 PHE A 82 -1.419 -2.762 0.841 1.00 0.13 H new ATOM 0 HZ PHE A 82 0.248 -3.761 -0.669 1.00 0.09 H new ATOM 414 N SER A 83 -0.979 -6.662 6.495 1.00 0.13 N ATOM 415 CA SER A 83 -0.632 -5.820 7.633 1.00 0.17 C ATOM 416 C SER A 83 0.884 -5.801 7.851 1.00 0.21 C ATOM 417 O SER A 83 1.462 -4.774 8.195 1.00 0.40 O ATOM 418 CB SER A 83 -1.353 -6.299 8.894 1.00 0.21 C ATOM 419 OG SER A 83 -1.223 -7.700 9.053 1.00 1.17 O ATOM 0 H SER A 83 -1.580 -7.458 6.709 1.00 0.13 H new ATOM 0 HA SER A 83 -0.957 -4.802 7.417 1.00 0.17 H new ATOM 0 HB2 SER A 83 -0.943 -5.791 9.767 1.00 0.21 H new ATOM 0 HB3 SER A 83 -2.408 -6.032 8.837 1.00 0.21 H new ATOM 0 HG SER A 83 -1.878 -8.156 8.485 1.00 1.17 H new ATOM 425 N THR A 84 1.530 -6.931 7.592 1.00 0.17 N ATOM 426 CA THR A 84 2.938 -7.098 7.888 1.00 0.22 C ATOM 427 C THR A 84 3.851 -6.831 6.680 1.00 0.16 C ATOM 428 O THR A 84 4.917 -6.230 6.835 1.00 0.21 O ATOM 429 CB THR A 84 3.170 -8.527 8.430 1.00 0.36 C ATOM 430 OG1 THR A 84 3.047 -8.543 9.857 1.00 0.80 O ATOM 431 CG2 THR A 84 4.513 -9.093 8.008 1.00 0.64 C ATOM 0 H THR A 84 1.091 -7.751 7.173 1.00 0.17 H new ATOM 0 HA THR A 84 3.205 -6.353 8.637 1.00 0.22 H new ATOM 0 HB THR A 84 2.402 -9.166 7.995 1.00 0.36 H new ATOM 0 HG1 THR A 84 3.194 -9.454 10.188 1.00 0.80 H new ATOM 0 HG21 THR A 84 4.628 -10.098 8.414 1.00 0.64 H new ATOM 0 HG22 THR A 84 4.565 -9.133 6.920 1.00 0.64 H new ATOM 0 HG23 THR A 84 5.312 -8.455 8.387 1.00 0.64 H new ATOM 439 N ARG A 85 3.401 -7.234 5.487 1.00 0.15 N ATOM 440 CA ARG A 85 4.281 -7.389 4.316 1.00 0.16 C ATOM 441 C ARG A 85 5.297 -6.239 4.143 1.00 0.15 C ATOM 442 O ARG A 85 6.494 -6.486 4.025 1.00 0.15 O ATOM 443 CB ARG A 85 3.453 -7.614 3.029 1.00 0.19 C ATOM 444 CG ARG A 85 2.959 -6.351 2.343 1.00 0.17 C ATOM 445 CD ARG A 85 2.086 -5.556 3.256 1.00 0.14 C ATOM 446 NE ARG A 85 1.797 -4.215 2.752 1.00 0.14 N ATOM 447 CZ ARG A 85 1.728 -3.126 3.520 1.00 0.14 C ATOM 448 NH1 ARG A 85 1.834 -3.229 4.841 1.00 0.14 N ATOM 449 NH2 ARG A 85 1.531 -1.936 2.966 1.00 0.19 N ATOM 0 H ARG A 85 2.424 -7.461 5.303 1.00 0.15 H new ATOM 0 HA ARG A 85 4.881 -8.279 4.504 1.00 0.16 H new ATOM 0 HB2 ARG A 85 4.060 -8.178 2.321 1.00 0.19 H new ATOM 0 HB3 ARG A 85 2.591 -8.234 3.275 1.00 0.19 H new ATOM 0 HG2 ARG A 85 3.810 -5.746 2.029 1.00 0.17 H new ATOM 0 HG3 ARG A 85 2.405 -6.615 1.442 1.00 0.17 H new ATOM 0 HD2 ARG A 85 1.148 -6.090 3.408 1.00 0.14 H new ATOM 0 HD3 ARG A 85 2.568 -5.475 4.230 1.00 0.14 H new ATOM 0 HE ARG A 85 1.638 -4.105 1.751 1.00 0.14 H new ATOM 0 HH11 ARG A 85 1.969 -4.144 5.272 1.00 0.14 H new ATOM 0 HH12 ARG A 85 1.781 -2.393 5.424 1.00 0.14 H new ATOM 0 HH21 ARG A 85 1.432 -1.855 1.954 1.00 0.19 H new ATOM 0 HH22 ARG A 85 1.478 -1.103 3.552 1.00 0.19 H new ATOM 463 N ILE A 86 4.831 -4.991 4.137 1.00 0.13 N ATOM 464 CA ILE A 86 5.710 -3.860 3.905 1.00 0.13 C ATOM 465 C ILE A 86 6.244 -3.301 5.220 1.00 0.14 C ATOM 466 O ILE A 86 7.381 -2.844 5.290 1.00 0.16 O ATOM 467 CB ILE A 86 5.018 -2.727 3.113 1.00 0.10 C ATOM 468 CG1 ILE A 86 4.493 -3.245 1.785 1.00 0.14 C ATOM 469 CG2 ILE A 86 5.979 -1.590 2.871 1.00 0.13 C ATOM 470 CD1 ILE A 86 5.442 -4.194 1.114 1.00 0.21 C ATOM 0 H ILE A 86 3.853 -4.744 4.290 1.00 0.13 H new ATOM 0 HA ILE A 86 6.538 -4.237 3.305 1.00 0.13 H new ATOM 0 HB ILE A 86 4.179 -2.364 3.706 1.00 0.10 H new ATOM 0 HG12 ILE A 86 3.539 -3.747 1.948 1.00 0.14 H new ATOM 0 HG13 ILE A 86 4.300 -2.402 1.122 1.00 0.14 H new ATOM 0 HG21 ILE A 86 5.476 -0.801 2.312 1.00 0.13 H new ATOM 0 HG22 ILE A 86 6.323 -1.195 3.827 1.00 0.13 H new ATOM 0 HG23 ILE A 86 6.833 -1.951 2.299 1.00 0.13 H new ATOM 0 HD11 ILE A 86 5.013 -4.531 0.170 1.00 0.21 H new ATOM 0 HD12 ILE A 86 6.388 -3.688 0.923 1.00 0.21 H new ATOM 0 HD13 ILE A 86 5.615 -5.054 1.761 1.00 0.21 H new ATOM 482 N GLU A 87 5.402 -3.321 6.251 1.00 0.16 N ATOM 483 CA GLU A 87 5.770 -2.823 7.571 1.00 0.20 C ATOM 484 C GLU A 87 7.073 -3.435 8.079 1.00 0.22 C ATOM 485 O GLU A 87 7.845 -2.768 8.763 1.00 0.28 O ATOM 486 CB GLU A 87 4.633 -3.072 8.562 1.00 0.27 C ATOM 487 CG GLU A 87 3.398 -2.238 8.260 1.00 0.40 C ATOM 488 CD GLU A 87 2.488 -2.054 9.455 1.00 0.44 C ATOM 489 OE1 GLU A 87 2.991 -2.063 10.595 1.00 0.56 O ATOM 490 OE2 GLU A 87 1.273 -1.852 9.251 1.00 0.89 O ATOM 0 H GLU A 87 4.450 -3.682 6.194 1.00 0.16 H new ATOM 0 HA GLU A 87 5.939 -1.750 7.481 1.00 0.20 H new ATOM 0 HB2 GLU A 87 4.366 -4.129 8.544 1.00 0.27 H new ATOM 0 HB3 GLU A 87 4.980 -2.848 9.571 1.00 0.27 H new ATOM 0 HG2 GLU A 87 3.710 -1.259 7.897 1.00 0.40 H new ATOM 0 HG3 GLU A 87 2.837 -2.712 7.455 1.00 0.40 H new ATOM 497 N GLU A 88 7.336 -4.688 7.730 1.00 0.25 N ATOM 498 CA GLU A 88 8.578 -5.329 8.142 1.00 0.30 C ATOM 499 C GLU A 88 9.694 -5.032 7.148 1.00 0.32 C ATOM 500 O GLU A 88 10.874 -5.161 7.466 1.00 0.37 O ATOM 501 CB GLU A 88 8.395 -6.836 8.300 1.00 0.42 C ATOM 502 CG GLU A 88 7.433 -7.210 9.414 1.00 0.52 C ATOM 503 CD GLU A 88 7.610 -8.640 9.882 1.00 1.09 C ATOM 504 OE1 GLU A 88 7.425 -9.564 9.060 1.00 1.64 O ATOM 505 OE2 GLU A 88 7.918 -8.851 11.071 1.00 1.54 O ATOM 0 H GLU A 88 6.716 -5.274 7.171 1.00 0.25 H new ATOM 0 HA GLU A 88 8.858 -4.918 9.112 1.00 0.30 H new ATOM 0 HB2 GLU A 88 8.031 -7.251 7.360 1.00 0.42 H new ATOM 0 HB3 GLU A 88 9.364 -7.294 8.497 1.00 0.42 H new ATOM 0 HG2 GLU A 88 7.580 -6.535 10.257 1.00 0.52 H new ATOM 0 HG3 GLU A 88 6.409 -7.069 9.067 1.00 0.52 H new ATOM 512 N LEU A 89 9.313 -4.618 5.948 1.00 0.34 N ATOM 513 CA LEU A 89 10.276 -4.293 4.909 1.00 0.35 C ATOM 514 C LEU A 89 10.773 -2.855 5.046 1.00 0.34 C ATOM 515 O LEU A 89 11.833 -2.503 4.532 1.00 0.38 O ATOM 516 CB LEU A 89 9.671 -4.494 3.523 1.00 0.33 C ATOM 517 CG LEU A 89 10.478 -5.390 2.591 1.00 0.32 C ATOM 518 CD1 LEU A 89 11.957 -5.050 2.643 1.00 0.32 C ATOM 519 CD2 LEU A 89 10.256 -6.846 2.933 1.00 0.37 C ATOM 0 H LEU A 89 8.339 -4.499 5.670 1.00 0.34 H new ATOM 0 HA LEU A 89 11.123 -4.969 5.029 1.00 0.35 H new ATOM 0 HB2 LEU A 89 8.673 -4.918 3.637 1.00 0.33 H new ATOM 0 HB3 LEU A 89 9.551 -3.519 3.051 1.00 0.33 H new ATOM 0 HG LEU A 89 10.130 -5.214 1.573 1.00 0.32 H new ATOM 0 HD11 LEU A 89 12.505 -5.707 1.967 1.00 0.32 H new ATOM 0 HD12 LEU A 89 12.103 -4.013 2.339 1.00 0.32 H new ATOM 0 HD13 LEU A 89 12.326 -5.186 3.660 1.00 0.32 H new ATOM 0 HD21 LEU A 89 10.840 -7.471 2.258 1.00 0.37 H new ATOM 0 HD22 LEU A 89 10.570 -7.030 3.960 1.00 0.37 H new ATOM 0 HD23 LEU A 89 9.198 -7.087 2.828 1.00 0.37 H new ATOM 531 N GLY A 90 10.006 -2.028 5.736 1.00 0.31 N ATOM 532 CA GLY A 90 10.415 -0.658 5.951 1.00 0.31 C ATOM 533 C GLY A 90 9.275 0.334 5.793 1.00 0.26 C ATOM 534 O GLY A 90 9.291 1.407 6.396 1.00 0.29 O ATOM 0 H GLY A 90 9.109 -2.280 6.151 1.00 0.31 H new ATOM 0 HA2 GLY A 90 10.836 -0.563 6.952 1.00 0.31 H new ATOM 0 HA3 GLY A 90 11.208 -0.407 5.247 1.00 0.31 H new ATOM 538 N GLY A 91 8.286 -0.026 4.984 1.00 0.22 N ATOM 539 CA GLY A 91 7.143 0.848 4.769 1.00 0.18 C ATOM 540 C GLY A 91 6.001 0.526 5.718 1.00 0.14 C ATOM 541 O GLY A 91 6.251 0.017 6.810 1.00 0.16 O ATOM 0 H GLY A 91 8.253 -0.907 4.472 1.00 0.22 H new ATOM 0 HA2 GLY A 91 7.448 1.886 4.906 1.00 0.18 H new ATOM 0 HA3 GLY A 91 6.799 0.750 3.739 1.00 0.18 H new ATOM 545 N SER A 92 4.747 0.795 5.311 1.00 0.12 N ATOM 546 CA SER A 92 3.594 0.486 6.155 1.00 0.12 C ATOM 547 C SER A 92 2.266 0.883 5.506 1.00 0.11 C ATOM 548 O SER A 92 2.228 1.347 4.364 1.00 0.12 O ATOM 549 CB SER A 92 3.742 1.158 7.523 1.00 0.16 C ATOM 550 OG SER A 92 4.015 2.547 7.391 1.00 0.21 O ATOM 0 H SER A 92 4.515 1.220 4.413 1.00 0.12 H new ATOM 0 HA SER A 92 3.573 -0.596 6.284 1.00 0.12 H new ATOM 0 HB2 SER A 92 2.828 1.018 8.100 1.00 0.16 H new ATOM 0 HB3 SER A 92 4.547 0.679 8.081 1.00 0.16 H new ATOM 0 HG SER A 92 4.103 2.949 8.280 1.00 0.21 H new ATOM 556 N ILE A 93 1.179 0.643 6.236 1.00 0.14 N ATOM 557 CA ILE A 93 -0.170 0.979 5.786 1.00 0.13 C ATOM 558 C ILE A 93 -0.681 2.222 6.517 1.00 0.14 C ATOM 559 O ILE A 93 -0.520 2.338 7.730 1.00 0.25 O ATOM 560 CB ILE A 93 -1.154 -0.180 6.072 1.00 0.18 C ATOM 561 CG1 ILE A 93 -0.843 -1.409 5.226 1.00 0.18 C ATOM 562 CG2 ILE A 93 -2.580 0.255 5.812 1.00 0.22 C ATOM 563 CD1 ILE A 93 -1.179 -2.698 5.924 1.00 0.24 C ATOM 0 H ILE A 93 1.209 0.209 7.159 1.00 0.14 H new ATOM 0 HA ILE A 93 -0.118 1.163 4.713 1.00 0.13 H new ATOM 0 HB ILE A 93 -1.036 -0.445 7.123 1.00 0.18 H new ATOM 0 HG12 ILE A 93 -1.401 -1.351 4.291 1.00 0.18 H new ATOM 0 HG13 ILE A 93 0.216 -1.407 4.966 1.00 0.18 H new ATOM 0 HG21 ILE A 93 -3.257 -0.574 6.019 1.00 0.22 H new ATOM 0 HG22 ILE A 93 -2.828 1.096 6.460 1.00 0.22 H new ATOM 0 HG23 ILE A 93 -2.684 0.557 4.770 1.00 0.22 H new ATOM 0 HD11 ILE A 93 -0.936 -3.538 5.273 1.00 0.24 H new ATOM 0 HD12 ILE A 93 -0.602 -2.774 6.845 1.00 0.24 H new ATOM 0 HD13 ILE A 93 -2.243 -2.717 6.160 1.00 0.24 H new ATOM 575 N SER A 94 -1.280 3.147 5.780 1.00 0.09 N ATOM 576 CA SER A 94 -1.937 4.300 6.382 1.00 0.12 C ATOM 577 C SER A 94 -3.385 4.376 5.928 1.00 0.14 C ATOM 578 O SER A 94 -3.662 4.670 4.771 1.00 0.19 O ATOM 579 CB SER A 94 -1.212 5.588 6.004 1.00 0.15 C ATOM 580 OG SER A 94 0.182 5.479 6.253 1.00 0.17 O ATOM 0 H SER A 94 -1.325 3.122 4.761 1.00 0.09 H new ATOM 0 HA SER A 94 -1.907 4.184 7.465 1.00 0.12 H new ATOM 0 HB2 SER A 94 -1.381 5.809 4.950 1.00 0.15 H new ATOM 0 HB3 SER A 94 -1.623 6.421 6.574 1.00 0.15 H new ATOM 0 HG SER A 94 0.626 6.316 6.001 1.00 0.17 H new ATOM 586 N PHE A 95 -4.303 4.103 6.834 1.00 0.15 N ATOM 587 CA PHE A 95 -5.717 4.147 6.505 1.00 0.16 C ATOM 588 C PHE A 95 -6.300 5.523 6.742 1.00 0.18 C ATOM 589 O PHE A 95 -6.178 6.089 7.829 1.00 0.26 O ATOM 590 CB PHE A 95 -6.505 3.126 7.312 1.00 0.18 C ATOM 591 CG PHE A 95 -6.793 1.860 6.569 1.00 0.26 C ATOM 592 CD1 PHE A 95 -5.800 0.922 6.372 1.00 0.39 C ATOM 593 CD2 PHE A 95 -8.059 1.610 6.063 1.00 0.39 C ATOM 594 CE1 PHE A 95 -6.062 -0.247 5.686 1.00 0.50 C ATOM 595 CE2 PHE A 95 -8.328 0.445 5.376 1.00 0.50 C ATOM 596 CZ PHE A 95 -7.328 -0.486 5.187 1.00 0.52 C ATOM 0 H PHE A 95 -4.098 3.849 7.800 1.00 0.15 H new ATOM 0 HA PHE A 95 -5.799 3.906 5.445 1.00 0.16 H new ATOM 0 HB2 PHE A 95 -5.949 2.886 8.218 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -7.448 3.574 7.626 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -4.808 1.104 6.758 1.00 0.39 H new ATOM 0 HD2 PHE A 95 -8.845 2.337 6.209 1.00 0.39 H new ATOM 0 HE1 PHE A 95 -5.277 -0.975 5.539 1.00 0.50 H new ATOM 0 HE2 PHE A 95 -9.319 0.262 4.987 1.00 0.50 H new ATOM 0 HZ PHE A 95 -7.534 -1.400 4.650 1.00 0.52 H new ATOM 606 N LEU A 96 -6.928 6.048 5.710 1.00 0.16 N ATOM 607 CA LEU A 96 -7.654 7.293 5.793 1.00 0.18 C ATOM 608 C LEU A 96 -9.136 6.966 5.628 1.00 0.21 C ATOM 609 O LEU A 96 -9.739 7.210 4.572 1.00 0.23 O ATOM 610 CB LEU A 96 -7.195 8.283 4.705 1.00 0.20 C ATOM 611 CG LEU A 96 -5.674 8.487 4.542 1.00 0.21 C ATOM 612 CD1 LEU A 96 -4.982 8.647 5.888 1.00 0.70 C ATOM 613 CD2 LEU A 96 -5.051 7.349 3.749 1.00 0.79 C ATOM 0 H LEU A 96 -6.948 5.618 4.785 1.00 0.16 H new ATOM 0 HA LEU A 96 -7.467 7.772 6.754 1.00 0.18 H new ATOM 0 HB2 LEU A 96 -7.596 7.946 3.749 1.00 0.20 H new ATOM 0 HB3 LEU A 96 -7.646 9.252 4.916 1.00 0.20 H new ATOM 0 HG LEU A 96 -5.530 9.412 3.983 1.00 0.21 H new ATOM 0 HD11 LEU A 96 -3.912 8.788 5.733 1.00 0.70 H new ATOM 0 HD12 LEU A 96 -5.391 9.514 6.407 1.00 0.70 H new ATOM 0 HD13 LEU A 96 -5.146 7.753 6.490 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -3.979 7.519 3.650 1.00 0.79 H new ATOM 0 HD22 LEU A 96 -5.222 6.407 4.269 1.00 0.79 H new ATOM 0 HD23 LEU A 96 -5.505 7.305 2.759 1.00 0.79 H new ATOM 625 N THR A 97 -9.706 6.378 6.672 1.00 0.24 N ATOM 626 CA THR A 97 -11.045 5.800 6.618 1.00 0.29 C ATOM 627 C THR A 97 -12.138 6.857 6.454 1.00 0.34 C ATOM 628 O THR A 97 -13.302 6.521 6.229 1.00 0.41 O ATOM 629 CB THR A 97 -11.318 4.956 7.880 1.00 0.33 C ATOM 630 OG1 THR A 97 -10.842 5.658 9.039 1.00 0.36 O ATOM 631 CG2 THR A 97 -10.635 3.595 7.786 1.00 0.35 C ATOM 0 H THR A 97 -9.253 6.288 7.582 1.00 0.24 H new ATOM 0 HA THR A 97 -11.075 5.162 5.735 1.00 0.29 H new ATOM 0 HB THR A 97 -12.393 4.794 7.962 1.00 0.33 H new ATOM 0 HG1 THR A 97 -9.915 5.399 9.220 1.00 0.36 H new ATOM 0 HG21 THR A 97 -10.843 3.020 8.688 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.014 3.057 6.917 1.00 0.35 H new ATOM 0 HG23 THR A 97 -9.559 3.734 7.685 1.00 0.35 H new ATOM 639 N GLU A 98 -11.755 8.130 6.554 1.00 0.34 N ATOM 640 CA GLU A 98 -12.692 9.236 6.369 1.00 0.42 C ATOM 641 C GLU A 98 -13.386 9.160 5.015 1.00 0.38 C ATOM 642 O GLU A 98 -14.562 9.496 4.889 1.00 0.39 O ATOM 643 CB GLU A 98 -11.979 10.585 6.491 1.00 0.52 C ATOM 644 CG GLU A 98 -10.731 10.717 5.628 1.00 0.85 C ATOM 645 CD GLU A 98 -10.203 12.138 5.596 1.00 1.14 C ATOM 646 OE1 GLU A 98 -9.400 12.501 6.479 1.00 1.45 O ATOM 647 OE2 GLU A 98 -10.600 12.903 4.689 1.00 1.39 O ATOM 0 H GLU A 98 -10.800 8.420 6.763 1.00 0.34 H new ATOM 0 HA GLU A 98 -13.442 9.150 7.155 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -12.678 11.377 6.222 1.00 0.52 H new ATOM 0 HB3 GLU A 98 -11.704 10.744 7.534 1.00 0.52 H new ATOM 0 HG2 GLU A 98 -9.956 10.052 6.009 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -10.958 10.393 4.612 1.00 0.85 H new ATOM 654 N THR A 99 -12.650 8.729 4.005 1.00 0.37 N ATOM 655 CA THR A 99 -13.181 8.653 2.660 1.00 0.37 C ATOM 656 C THR A 99 -13.023 7.247 2.086 1.00 0.34 C ATOM 657 O THR A 99 -13.791 6.831 1.220 1.00 0.55 O ATOM 658 CB THR A 99 -12.481 9.689 1.755 1.00 0.44 C ATOM 659 OG1 THR A 99 -12.728 11.013 2.252 1.00 0.50 O ATOM 660 CG2 THR A 99 -12.956 9.590 0.313 1.00 0.49 C ATOM 0 H THR A 99 -11.680 8.426 4.094 1.00 0.37 H new ATOM 0 HA THR A 99 -14.246 8.880 2.699 1.00 0.37 H new ATOM 0 HB THR A 99 -11.412 9.477 1.772 1.00 0.44 H new ATOM 0 HG1 THR A 99 -12.281 11.667 1.676 1.00 0.50 H new ATOM 0 HG21 THR A 99 -12.440 10.335 -0.292 1.00 0.49 H new ATOM 0 HG22 THR A 99 -12.738 8.595 -0.074 1.00 0.49 H new ATOM 0 HG23 THR A 99 -14.030 9.769 0.271 1.00 0.49 H new ATOM 668 N GLY A 100 -12.049 6.504 2.594 1.00 0.19 N ATOM 669 CA GLY A 100 -11.799 5.178 2.066 1.00 0.18 C ATOM 670 C GLY A 100 -10.499 5.115 1.300 1.00 0.16 C ATOM 671 O GLY A 100 -10.441 4.534 0.225 1.00 0.21 O ATOM 0 H GLY A 100 -11.433 6.792 3.355 1.00 0.19 H new ATOM 0 HA2 GLY A 100 -11.773 4.460 2.885 1.00 0.18 H new ATOM 0 HA3 GLY A 100 -12.621 4.886 1.412 1.00 0.18 H new ATOM 675 N VAL A 101 -9.475 5.776 1.817 1.00 0.13 N ATOM 676 CA VAL A 101 -8.162 5.743 1.197 1.00 0.14 C ATOM 677 C VAL A 101 -7.194 4.953 2.063 1.00 0.12 C ATOM 678 O VAL A 101 -7.159 5.127 3.276 1.00 0.23 O ATOM 679 CB VAL A 101 -7.593 7.165 0.973 1.00 0.16 C ATOM 680 CG1 VAL A 101 -6.216 7.105 0.316 1.00 0.21 C ATOM 681 CG2 VAL A 101 -8.552 8.006 0.144 1.00 0.23 C ATOM 0 H VAL A 101 -9.529 6.341 2.664 1.00 0.13 H new ATOM 0 HA VAL A 101 -8.276 5.262 0.226 1.00 0.14 H new ATOM 0 HB VAL A 101 -7.480 7.640 1.947 1.00 0.16 H new ATOM 0 HG11 VAL A 101 -5.838 8.117 0.170 1.00 0.21 H new ATOM 0 HG12 VAL A 101 -5.531 6.551 0.958 1.00 0.21 H new ATOM 0 HG13 VAL A 101 -6.295 6.604 -0.649 1.00 0.21 H new ATOM 0 HG21 VAL A 101 -8.131 9.001 -0.001 1.00 0.23 H new ATOM 0 HG22 VAL A 101 -8.706 7.533 -0.826 1.00 0.23 H new ATOM 0 HG23 VAL A 101 -9.507 8.088 0.664 1.00 0.23 H new ATOM 691 N THR A 102 -6.438 4.072 1.446 1.00 0.10 N ATOM 692 CA THR A 102 -5.370 3.372 2.130 1.00 0.09 C ATOM 693 C THR A 102 -4.025 3.715 1.494 1.00 0.09 C ATOM 694 O THR A 102 -3.717 3.268 0.399 1.00 0.10 O ATOM 695 CB THR A 102 -5.583 1.848 2.091 1.00 0.10 C ATOM 696 OG1 THR A 102 -6.863 1.523 2.640 1.00 0.11 O ATOM 697 CG2 THR A 102 -4.500 1.141 2.888 1.00 0.12 C ATOM 0 H THR A 102 -6.544 3.821 0.463 1.00 0.10 H new ATOM 0 HA THR A 102 -5.376 3.694 3.171 1.00 0.09 H new ATOM 0 HB THR A 102 -5.534 1.518 1.053 1.00 0.10 H new ATOM 0 HG1 THR A 102 -6.745 0.957 3.431 1.00 0.11 H new ATOM 0 HG21 THR A 102 -4.665 0.064 2.850 1.00 0.12 H new ATOM 0 HG22 THR A 102 -3.524 1.374 2.462 1.00 0.12 H new ATOM 0 HG23 THR A 102 -4.533 1.477 3.924 1.00 0.12 H new ATOM 705 N MET A 103 -3.232 4.528 2.170 1.00 0.10 N ATOM 706 CA MET A 103 -1.919 4.903 1.649 1.00 0.10 C ATOM 707 C MET A 103 -0.871 3.875 2.056 1.00 0.10 C ATOM 708 O MET A 103 -0.557 3.729 3.236 1.00 0.13 O ATOM 709 CB MET A 103 -1.498 6.294 2.137 1.00 0.12 C ATOM 710 CG MET A 103 -1.680 7.415 1.117 1.00 0.20 C ATOM 711 SD MET A 103 -1.178 9.026 1.763 1.00 1.26 S ATOM 712 CE MET A 103 -2.331 9.265 3.105 1.00 1.19 C ATOM 0 H MET A 103 -3.467 4.940 3.073 1.00 0.10 H new ATOM 0 HA MET A 103 -1.993 4.931 0.562 1.00 0.10 H new ATOM 0 HB2 MET A 103 -2.072 6.539 3.031 1.00 0.12 H new ATOM 0 HB3 MET A 103 -0.449 6.258 2.432 1.00 0.12 H new ATOM 0 HG2 MET A 103 -1.098 7.188 0.224 1.00 0.20 H new ATOM 0 HG3 MET A 103 -2.726 7.459 0.813 1.00 0.20 H new ATOM 0 HE1 MET A 103 -2.167 10.244 3.555 1.00 1.19 H new ATOM 0 HE2 MET A 103 -3.350 9.207 2.724 1.00 1.19 H new ATOM 0 HE3 MET A 103 -2.180 8.490 3.857 1.00 1.19 H new ATOM 722 N ILE A 104 -0.343 3.148 1.081 1.00 0.08 N ATOM 723 CA ILE A 104 0.720 2.191 1.342 1.00 0.08 C ATOM 724 C ILE A 104 2.065 2.799 1.058 1.00 0.08 C ATOM 725 O ILE A 104 2.354 3.203 -0.059 1.00 0.12 O ATOM 726 CB ILE A 104 0.591 0.878 0.530 1.00 0.08 C ATOM 727 CG1 ILE A 104 -0.468 -0.019 1.154 1.00 0.10 C ATOM 728 CG2 ILE A 104 1.927 0.135 0.451 1.00 0.10 C ATOM 729 CD1 ILE A 104 -1.869 0.322 0.728 1.00 0.10 C ATOM 0 H ILE A 104 -0.633 3.203 0.105 1.00 0.08 H new ATOM 0 HA ILE A 104 0.625 1.937 2.398 1.00 0.08 H new ATOM 0 HB ILE A 104 0.292 1.139 -0.485 1.00 0.08 H new ATOM 0 HG12 ILE A 104 -0.258 -1.055 0.888 1.00 0.10 H new ATOM 0 HG13 ILE A 104 -0.399 0.052 2.240 1.00 0.10 H new ATOM 0 HG21 ILE A 104 1.800 -0.781 -0.126 1.00 0.10 H new ATOM 0 HG22 ILE A 104 2.668 0.770 -0.035 1.00 0.10 H new ATOM 0 HG23 ILE A 104 2.265 -0.113 1.457 1.00 0.10 H new ATOM 0 HD11 ILE A 104 -2.572 -0.357 1.211 1.00 0.10 H new ATOM 0 HD12 ILE A 104 -2.098 1.347 1.018 1.00 0.10 H new ATOM 0 HD13 ILE A 104 -1.954 0.223 -0.354 1.00 0.10 H new ATOM 741 N GLU A 105 2.879 2.855 2.078 1.00 0.09 N ATOM 742 CA GLU A 105 4.228 3.320 1.933 1.00 0.10 C ATOM 743 C GLU A 105 5.166 2.120 1.812 1.00 0.10 C ATOM 744 O GLU A 105 5.160 1.247 2.669 1.00 0.13 O ATOM 745 CB GLU A 105 4.594 4.178 3.137 1.00 0.13 C ATOM 746 CG GLU A 105 4.815 5.626 2.774 1.00 0.19 C ATOM 747 CD GLU A 105 4.783 6.549 3.973 1.00 0.35 C ATOM 748 OE1 GLU A 105 3.709 6.709 4.583 1.00 0.48 O ATOM 749 OE2 GLU A 105 5.847 7.102 4.324 1.00 0.45 O ATOM 0 H GLU A 105 2.625 2.581 3.027 1.00 0.09 H new ATOM 0 HA GLU A 105 4.324 3.926 1.032 1.00 0.10 H new ATOM 0 HB2 GLU A 105 3.800 4.111 3.881 1.00 0.13 H new ATOM 0 HB3 GLU A 105 5.498 3.781 3.599 1.00 0.13 H new ATOM 0 HG2 GLU A 105 5.777 5.726 2.271 1.00 0.19 H new ATOM 0 HG3 GLU A 105 4.050 5.937 2.063 1.00 0.19 H new ATOM 756 N LEU A 106 5.924 2.058 0.729 1.00 0.12 N ATOM 757 CA LEU A 106 6.877 0.979 0.494 1.00 0.12 C ATOM 758 C LEU A 106 8.155 1.531 -0.106 1.00 0.16 C ATOM 759 O LEU A 106 8.138 2.165 -1.156 1.00 0.19 O ATOM 760 CB LEU A 106 6.271 -0.082 -0.434 1.00 0.12 C ATOM 761 CG LEU A 106 7.224 -1.203 -0.896 1.00 0.14 C ATOM 762 CD1 LEU A 106 6.430 -2.410 -1.319 1.00 0.17 C ATOM 763 CD2 LEU A 106 8.094 -0.768 -2.067 1.00 0.16 C ATOM 0 H LEU A 106 5.898 2.755 -0.015 1.00 0.12 H new ATOM 0 HA LEU A 106 7.111 0.510 1.450 1.00 0.12 H new ATOM 0 HB2 LEU A 106 5.424 -0.540 0.076 1.00 0.12 H new ATOM 0 HB3 LEU A 106 5.877 0.420 -1.318 1.00 0.12 H new ATOM 0 HG LEU A 106 7.870 -1.440 -0.051 1.00 0.14 H new ATOM 0 HD11 LEU A 106 7.110 -3.197 -1.644 1.00 0.17 H new ATOM 0 HD12 LEU A 106 5.836 -2.768 -0.478 1.00 0.17 H new ATOM 0 HD13 LEU A 106 5.768 -2.140 -2.142 1.00 0.17 H new ATOM 0 HD21 LEU A 106 8.749 -1.589 -2.358 1.00 0.16 H new ATOM 0 HD22 LEU A 106 7.459 -0.494 -2.910 1.00 0.16 H new ATOM 0 HD23 LEU A 106 8.698 0.091 -1.773 1.00 0.16 H new ATOM 775 N PRO A 107 9.286 1.288 0.537 1.00 0.17 N ATOM 776 CA PRO A 107 10.574 1.773 0.062 1.00 0.21 C ATOM 777 C PRO A 107 11.095 0.961 -1.105 1.00 0.25 C ATOM 778 O PRO A 107 10.887 -0.239 -1.182 1.00 0.20 O ATOM 779 CB PRO A 107 11.474 1.587 1.267 1.00 0.23 C ATOM 780 CG PRO A 107 10.898 0.413 1.973 1.00 0.21 C ATOM 781 CD PRO A 107 9.414 0.490 1.763 1.00 0.17 C ATOM 0 HA PRO A 107 10.519 2.799 -0.301 1.00 0.21 H new ATOM 0 HB2 PRO A 107 12.507 1.405 0.969 1.00 0.23 H new ATOM 0 HB3 PRO A 107 11.477 2.472 1.903 1.00 0.23 H new ATOM 0 HG2 PRO A 107 11.301 -0.518 1.574 1.00 0.21 H new ATOM 0 HG3 PRO A 107 11.143 0.437 3.035 1.00 0.21 H new ATOM 0 HD2 PRO A 107 8.973 -0.500 1.646 1.00 0.17 H new ATOM 0 HD3 PRO A 107 8.913 0.965 2.606 1.00 0.17 H new ATOM 789 N LYS A 108 11.804 1.609 -2.000 1.00 0.40 N ATOM 790 CA LYS A 108 12.384 0.915 -3.135 1.00 0.47 C ATOM 791 C LYS A 108 13.637 0.171 -2.693 1.00 0.50 C ATOM 792 O LYS A 108 14.360 -0.409 -3.501 1.00 0.59 O ATOM 793 CB LYS A 108 12.671 1.917 -4.241 1.00 0.62 C ATOM 794 CG LYS A 108 11.403 2.596 -4.720 1.00 0.69 C ATOM 795 CD LYS A 108 11.677 3.956 -5.334 1.00 0.99 C ATOM 796 CE LYS A 108 10.386 4.724 -5.563 1.00 0.68 C ATOM 797 NZ LYS A 108 10.606 5.979 -6.333 1.00 1.10 N ATOM 0 H LYS A 108 11.995 2.611 -1.968 1.00 0.40 H new ATOM 0 HA LYS A 108 11.686 0.175 -3.528 1.00 0.47 H new ATOM 0 HB2 LYS A 108 13.373 2.669 -3.879 1.00 0.62 H new ATOM 0 HB3 LYS A 108 13.151 1.409 -5.078 1.00 0.62 H new ATOM 0 HG2 LYS A 108 10.908 1.961 -5.455 1.00 0.69 H new ATOM 0 HG3 LYS A 108 10.715 2.710 -3.882 1.00 0.69 H new ATOM 0 HD2 LYS A 108 12.333 4.529 -4.678 1.00 0.99 H new ATOM 0 HD3 LYS A 108 12.202 3.832 -6.281 1.00 0.99 H new ATOM 0 HE2 LYS A 108 9.679 4.091 -6.099 1.00 0.68 H new ATOM 0 HE3 LYS A 108 9.933 4.965 -4.601 1.00 0.68 H new ATOM 0 HZ1 LYS A 108 9.698 6.469 -6.465 1.00 1.10 H new ATOM 0 HZ2 LYS A 108 11.260 6.596 -5.811 1.00 1.10 H new ATOM 0 HZ3 LYS A 108 11.014 5.749 -7.262 1.00 1.10 H new ATOM 811 N THR A 109 13.869 0.196 -1.385 1.00 0.47 N ATOM 812 CA THR A 109 14.925 -0.578 -0.767 1.00 0.53 C ATOM 813 C THR A 109 14.437 -1.992 -0.441 1.00 0.46 C ATOM 814 O THR A 109 15.237 -2.874 -0.120 1.00 0.53 O ATOM 815 CB THR A 109 15.431 0.106 0.516 1.00 0.62 C ATOM 816 OG1 THR A 109 14.333 0.371 1.398 1.00 0.61 O ATOM 817 CG2 THR A 109 16.144 1.412 0.188 1.00 0.72 C ATOM 0 H THR A 109 13.326 0.756 -0.728 1.00 0.47 H new ATOM 0 HA THR A 109 15.750 -0.641 -1.477 1.00 0.53 H new ATOM 0 HB THR A 109 16.137 -0.567 1.004 1.00 0.62 H new ATOM 0 HG1 THR A 109 14.665 0.804 2.212 1.00 0.61 H new ATOM 0 HG21 THR A 109 16.493 1.878 1.110 1.00 0.72 H new ATOM 0 HG22 THR A 109 16.996 1.208 -0.461 1.00 0.72 H new ATOM 0 HG23 THR A 109 15.454 2.086 -0.320 1.00 0.72 H new ATOM 825 N VAL A 110 13.116 -2.207 -0.521 1.00 0.34 N ATOM 826 CA VAL A 110 12.558 -3.548 -0.359 1.00 0.28 C ATOM 827 C VAL A 110 13.061 -4.451 -1.471 1.00 0.25 C ATOM 828 O VAL A 110 13.561 -3.973 -2.495 1.00 0.28 O ATOM 829 CB VAL A 110 11.010 -3.596 -0.383 1.00 0.21 C ATOM 830 CG1 VAL A 110 10.392 -2.553 0.526 1.00 0.21 C ATOM 831 CG2 VAL A 110 10.478 -3.462 -1.795 1.00 0.17 C ATOM 0 H VAL A 110 12.425 -1.477 -0.695 1.00 0.34 H new ATOM 0 HA VAL A 110 12.886 -3.882 0.625 1.00 0.28 H new ATOM 0 HB VAL A 110 10.719 -4.574 0.000 1.00 0.21 H new ATOM 0 HG11 VAL A 110 9.306 -2.625 0.476 1.00 0.21 H new ATOM 0 HG12 VAL A 110 10.720 -2.723 1.551 1.00 0.21 H new ATOM 0 HG13 VAL A 110 10.705 -1.559 0.205 1.00 0.21 H new ATOM 0 HG21 VAL A 110 9.389 -3.499 -1.778 1.00 0.17 H new ATOM 0 HG22 VAL A 110 10.802 -2.511 -2.217 1.00 0.17 H new ATOM 0 HG23 VAL A 110 10.860 -4.279 -2.407 1.00 0.17 H new ATOM 841 N SER A 111 12.955 -5.749 -1.264 1.00 0.24 N ATOM 842 CA SER A 111 13.200 -6.687 -2.335 1.00 0.22 C ATOM 843 C SER A 111 12.256 -6.362 -3.490 1.00 0.17 C ATOM 844 O SER A 111 11.086 -6.068 -3.264 1.00 0.18 O ATOM 845 CB SER A 111 12.979 -8.115 -1.835 1.00 0.27 C ATOM 846 OG SER A 111 13.838 -8.402 -0.744 1.00 0.96 O ATOM 0 H SER A 111 12.703 -6.173 -0.371 1.00 0.24 H new ATOM 0 HA SER A 111 14.231 -6.608 -2.680 1.00 0.22 H new ATOM 0 HB2 SER A 111 11.940 -8.242 -1.530 1.00 0.27 H new ATOM 0 HB3 SER A 111 13.162 -8.822 -2.644 1.00 0.27 H new ATOM 0 HG SER A 111 13.681 -9.319 -0.437 1.00 0.96 H new ATOM 852 N GLU A 112 12.771 -6.378 -4.712 1.00 0.21 N ATOM 853 CA GLU A 112 11.980 -6.052 -5.902 1.00 0.26 C ATOM 854 C GLU A 112 10.661 -6.825 -5.917 1.00 0.24 C ATOM 855 O GLU A 112 9.631 -6.319 -6.364 1.00 0.28 O ATOM 856 CB GLU A 112 12.795 -6.373 -7.154 1.00 0.35 C ATOM 857 CG GLU A 112 12.087 -6.063 -8.459 1.00 0.46 C ATOM 858 CD GLU A 112 12.894 -6.504 -9.662 1.00 0.63 C ATOM 859 OE1 GLU A 112 13.898 -5.841 -9.984 1.00 1.03 O ATOM 860 OE2 GLU A 112 12.529 -7.519 -10.289 1.00 0.80 O ATOM 0 H GLU A 112 13.743 -6.615 -4.911 1.00 0.21 H new ATOM 0 HA GLU A 112 11.742 -4.989 -5.882 1.00 0.26 H new ATOM 0 HB2 GLU A 112 13.729 -5.811 -7.119 1.00 0.35 H new ATOM 0 HB3 GLU A 112 13.058 -7.431 -7.140 1.00 0.35 H new ATOM 0 HG2 GLU A 112 11.117 -6.560 -8.472 1.00 0.46 H new ATOM 0 HG3 GLU A 112 11.898 -4.991 -8.523 1.00 0.46 H new ATOM 867 N HIS A 113 10.707 -8.045 -5.405 1.00 0.23 N ATOM 868 CA HIS A 113 9.517 -8.876 -5.256 1.00 0.27 C ATOM 869 C HIS A 113 8.504 -8.203 -4.345 1.00 0.25 C ATOM 870 O HIS A 113 7.329 -8.094 -4.675 1.00 0.41 O ATOM 871 CB HIS A 113 9.901 -10.234 -4.679 1.00 0.32 C ATOM 872 CG HIS A 113 10.687 -11.094 -5.628 1.00 0.40 C ATOM 873 ND1 HIS A 113 10.211 -12.283 -6.135 1.00 0.71 N ATOM 874 CD2 HIS A 113 11.918 -10.926 -6.166 1.00 0.46 C ATOM 875 CE1 HIS A 113 11.115 -12.807 -6.942 1.00 0.73 C ATOM 876 NE2 HIS A 113 12.161 -12.005 -6.980 1.00 0.55 N ATOM 0 H HIS A 113 11.567 -8.488 -5.081 1.00 0.23 H new ATOM 0 HA HIS A 113 9.067 -9.013 -6.239 1.00 0.27 H new ATOM 0 HB2 HIS A 113 10.486 -10.081 -3.772 1.00 0.32 H new ATOM 0 HB3 HIS A 113 8.994 -10.765 -4.388 1.00 0.32 H new ATOM 0 HD2 HIS A 113 12.586 -10.096 -5.988 1.00 0.46 H new ATOM 0 HE1 HIS A 113 11.015 -13.737 -7.481 1.00 0.73 H new ATOM 0 HE2 HIS A 113 13.010 -12.160 -7.524 1.00 0.55 H new ATOM 885 N ASP A 114 8.980 -7.730 -3.205 1.00 0.23 N ATOM 886 CA ASP A 114 8.138 -7.055 -2.230 1.00 0.26 C ATOM 887 C ASP A 114 7.637 -5.735 -2.780 1.00 0.25 C ATOM 888 O ASP A 114 6.549 -5.287 -2.446 1.00 0.33 O ATOM 889 CB ASP A 114 8.912 -6.841 -0.925 1.00 0.31 C ATOM 890 CG ASP A 114 9.171 -8.147 -0.203 1.00 1.20 C ATOM 891 OD1 ASP A 114 10.118 -8.865 -0.585 1.00 2.05 O ATOM 892 OD2 ASP A 114 8.440 -8.449 0.762 1.00 1.13 O ATOM 0 H ASP A 114 9.959 -7.803 -2.929 1.00 0.23 H new ATOM 0 HA ASP A 114 7.272 -7.683 -2.021 1.00 0.26 H new ATOM 0 HB2 ASP A 114 9.861 -6.351 -1.142 1.00 0.31 H new ATOM 0 HB3 ASP A 114 8.349 -6.172 -0.274 1.00 0.31 H new ATOM 897 N MET A 115 8.419 -5.131 -3.650 1.00 0.23 N ATOM 898 CA MET A 115 8.026 -3.875 -4.257 1.00 0.23 C ATOM 899 C MET A 115 6.948 -4.100 -5.304 1.00 0.24 C ATOM 900 O MET A 115 5.900 -3.469 -5.274 1.00 0.47 O ATOM 901 CB MET A 115 9.235 -3.184 -4.889 1.00 0.20 C ATOM 902 CG MET A 115 8.889 -1.889 -5.605 1.00 0.22 C ATOM 903 SD MET A 115 10.323 -1.116 -6.378 1.00 0.22 S ATOM 904 CE MET A 115 9.551 0.280 -7.195 1.00 1.62 C ATOM 0 H MET A 115 9.326 -5.486 -3.952 1.00 0.23 H new ATOM 0 HA MET A 115 7.623 -3.231 -3.475 1.00 0.23 H new ATOM 0 HB2 MET A 115 9.971 -2.975 -4.112 1.00 0.20 H new ATOM 0 HB3 MET A 115 9.704 -3.867 -5.597 1.00 0.20 H new ATOM 0 HG2 MET A 115 8.135 -2.090 -6.366 1.00 0.22 H new ATOM 0 HG3 MET A 115 8.446 -1.193 -4.893 1.00 0.22 H new ATOM 0 HE1 MET A 115 10.310 0.860 -7.720 1.00 1.62 H new ATOM 0 HE2 MET A 115 8.811 -0.080 -7.909 1.00 1.62 H new ATOM 0 HE3 MET A 115 9.062 0.911 -6.453 1.00 1.62 H new ATOM 914 N ASP A 116 7.201 -5.012 -6.220 1.00 0.15 N ATOM 915 CA ASP A 116 6.286 -5.234 -7.329 1.00 0.18 C ATOM 916 C ASP A 116 5.080 -6.049 -6.893 1.00 0.19 C ATOM 917 O ASP A 116 3.944 -5.610 -7.045 1.00 0.24 O ATOM 918 CB ASP A 116 7.005 -5.947 -8.471 1.00 0.23 C ATOM 919 CG ASP A 116 6.264 -5.827 -9.785 1.00 0.42 C ATOM 920 OD1 ASP A 116 5.258 -6.548 -9.964 1.00 0.64 O ATOM 921 OD2 ASP A 116 6.670 -5.014 -10.639 1.00 0.61 O ATOM 0 H ASP A 116 8.027 -5.610 -6.222 1.00 0.15 H new ATOM 0 HA ASP A 116 5.936 -4.261 -7.673 1.00 0.18 H new ATOM 0 HB2 ASP A 116 8.006 -5.530 -8.582 1.00 0.23 H new ATOM 0 HB3 ASP A 116 7.124 -7.001 -8.220 1.00 0.23 H new ATOM 926 N GLN A 117 5.338 -7.216 -6.324 1.00 0.17 N ATOM 927 CA GLN A 117 4.283 -8.167 -6.003 1.00 0.18 C ATOM 928 C GLN A 117 3.405 -7.707 -4.847 1.00 0.15 C ATOM 929 O GLN A 117 2.218 -7.999 -4.829 1.00 0.17 O ATOM 930 CB GLN A 117 4.870 -9.542 -5.695 1.00 0.23 C ATOM 931 CG GLN A 117 5.096 -10.396 -6.931 1.00 0.96 C ATOM 932 CD GLN A 117 3.806 -10.649 -7.691 1.00 1.67 C ATOM 933 OE1 GLN A 117 3.440 -9.891 -8.591 1.00 2.42 O ATOM 934 NE2 GLN A 117 3.101 -11.710 -7.328 1.00 2.30 N ATOM 0 H GLN A 117 6.276 -7.530 -6.073 1.00 0.17 H new ATOM 0 HA GLN A 117 3.648 -8.232 -6.886 1.00 0.18 H new ATOM 0 HB2 GLN A 117 5.818 -9.415 -5.173 1.00 0.23 H new ATOM 0 HB3 GLN A 117 4.201 -10.070 -5.016 1.00 0.23 H new ATOM 0 HG2 GLN A 117 5.812 -9.902 -7.587 1.00 0.96 H new ATOM 0 HG3 GLN A 117 5.537 -11.349 -6.638 1.00 0.96 H new ATOM 0 HE21 GLN A 117 3.438 -12.314 -6.578 1.00 2.30 H new ATOM 0 HE22 GLN A 117 2.222 -11.923 -7.799 1.00 2.30 H new ATOM 943 N LEU A 118 3.961 -6.988 -3.885 1.00 0.14 N ATOM 944 CA LEU A 118 3.161 -6.560 -2.744 1.00 0.13 C ATOM 945 C LEU A 118 2.318 -5.343 -3.086 1.00 0.12 C ATOM 946 O LEU A 118 1.170 -5.238 -2.662 1.00 0.13 O ATOM 947 CB LEU A 118 4.023 -6.297 -1.522 1.00 0.12 C ATOM 948 CG LEU A 118 4.611 -7.562 -0.880 1.00 0.15 C ATOM 949 CD1 LEU A 118 5.550 -7.201 0.252 1.00 0.18 C ATOM 950 CD2 LEU A 118 3.503 -8.469 -0.363 1.00 0.16 C ATOM 0 H LEU A 118 4.937 -6.693 -3.867 1.00 0.14 H new ATOM 0 HA LEU A 118 2.485 -7.379 -2.500 1.00 0.13 H new ATOM 0 HB2 LEU A 118 4.840 -5.633 -1.804 1.00 0.12 H new ATOM 0 HB3 LEU A 118 3.427 -5.769 -0.778 1.00 0.12 H new ATOM 0 HG LEU A 118 5.173 -8.096 -1.646 1.00 0.15 H new ATOM 0 HD11 LEU A 118 5.955 -8.112 0.693 1.00 0.18 H new ATOM 0 HD12 LEU A 118 6.366 -6.590 -0.133 1.00 0.18 H new ATOM 0 HD13 LEU A 118 5.005 -6.641 1.012 1.00 0.18 H new ATOM 0 HD21 LEU A 118 3.942 -9.359 0.088 1.00 0.16 H new ATOM 0 HD22 LEU A 118 2.915 -7.936 0.384 1.00 0.16 H new ATOM 0 HD23 LEU A 118 2.857 -8.762 -1.191 1.00 0.16 H new ATOM 962 N LEU A 119 2.874 -4.425 -3.860 1.00 0.13 N ATOM 963 CA LEU A 119 2.083 -3.307 -4.372 1.00 0.13 C ATOM 964 C LEU A 119 1.107 -3.813 -5.423 1.00 0.13 C ATOM 965 O LEU A 119 0.160 -3.130 -5.802 1.00 0.14 O ATOM 966 CB LEU A 119 2.978 -2.216 -4.952 1.00 0.14 C ATOM 967 CG LEU A 119 4.050 -1.699 -3.991 1.00 0.11 C ATOM 968 CD1 LEU A 119 4.711 -0.448 -4.539 1.00 0.12 C ATOM 969 CD2 LEU A 119 3.468 -1.455 -2.603 1.00 0.17 C ATOM 0 H LEU A 119 3.853 -4.426 -4.146 1.00 0.13 H new ATOM 0 HA LEU A 119 1.525 -2.868 -3.545 1.00 0.13 H new ATOM 0 HB2 LEU A 119 3.466 -2.601 -5.847 1.00 0.14 H new ATOM 0 HB3 LEU A 119 2.354 -1.379 -5.264 1.00 0.14 H new ATOM 0 HG LEU A 119 4.818 -2.467 -3.897 1.00 0.11 H new ATOM 0 HD11 LEU A 119 5.469 -0.100 -3.838 1.00 0.12 H new ATOM 0 HD12 LEU A 119 5.179 -0.674 -5.497 1.00 0.12 H new ATOM 0 HD13 LEU A 119 3.960 0.330 -4.677 1.00 0.12 H new ATOM 0 HD21 LEU A 119 4.251 -1.088 -1.940 1.00 0.17 H new ATOM 0 HD22 LEU A 119 2.671 -0.715 -2.668 1.00 0.17 H new ATOM 0 HD23 LEU A 119 3.066 -2.388 -2.208 1.00 0.17 H new ATOM 981 N HIS A 120 1.357 -5.025 -5.881 1.00 0.13 N ATOM 982 CA HIS A 120 0.468 -5.706 -6.801 1.00 0.13 C ATOM 983 C HIS A 120 -0.580 -6.487 -6.027 1.00 0.13 C ATOM 984 O HIS A 120 -1.669 -6.739 -6.527 1.00 0.14 O ATOM 985 CB HIS A 120 1.279 -6.655 -7.660 1.00 0.14 C ATOM 986 CG HIS A 120 0.587 -7.168 -8.885 1.00 0.21 C ATOM 987 ND1 HIS A 120 0.972 -6.825 -10.161 1.00 0.30 N ATOM 988 CD2 HIS A 120 -0.446 -8.032 -9.027 1.00 0.25 C ATOM 989 CE1 HIS A 120 0.211 -7.456 -11.035 1.00 0.37 C ATOM 990 NE2 HIS A 120 -0.654 -8.196 -10.373 1.00 0.34 N ATOM 0 H HIS A 120 2.183 -5.565 -5.625 1.00 0.13 H new ATOM 0 HA HIS A 120 -0.034 -4.973 -7.432 1.00 0.13 H new ATOM 0 HB2 HIS A 120 2.194 -6.148 -7.966 1.00 0.14 H new ATOM 0 HB3 HIS A 120 1.576 -7.507 -7.048 1.00 0.14 H new ATOM 0 HD2 HIS A 120 -1.002 -8.504 -8.230 1.00 0.25 H new ATOM 0 HE1 HIS A 120 0.285 -7.379 -12.110 1.00 0.37 H new ATOM 0 HE2 HIS A 120 -1.365 -8.795 -10.793 1.00 0.34 H new ATOM 999 N ASP A 121 -0.232 -6.879 -4.805 1.00 0.12 N ATOM 1000 CA ASP A 121 -1.171 -7.567 -3.920 1.00 0.12 C ATOM 1001 C ASP A 121 -2.305 -6.615 -3.635 1.00 0.11 C ATOM 1002 O ASP A 121 -3.449 -7.007 -3.419 1.00 0.13 O ATOM 1003 CB ASP A 121 -0.495 -7.973 -2.608 1.00 0.14 C ATOM 1004 CG ASP A 121 -1.223 -9.096 -1.898 1.00 0.23 C ATOM 1005 OD1 ASP A 121 -1.386 -10.181 -2.504 1.00 0.42 O ATOM 1006 OD2 ASP A 121 -1.609 -8.918 -0.725 1.00 0.42 O ATOM 0 H ASP A 121 0.694 -6.733 -4.403 1.00 0.12 H new ATOM 0 HA ASP A 121 -1.532 -8.477 -4.400 1.00 0.12 H new ATOM 0 HB2 ASP A 121 0.530 -8.282 -2.813 1.00 0.14 H new ATOM 0 HB3 ASP A 121 -0.441 -7.107 -1.949 1.00 0.14 H new ATOM 1011 N ILE A 122 -1.941 -5.345 -3.663 1.00 0.10 N ATOM 1012 CA ILE A 122 -2.885 -4.258 -3.618 1.00 0.10 C ATOM 1013 C ILE A 122 -3.903 -4.413 -4.739 1.00 0.10 C ATOM 1014 O ILE A 122 -5.108 -4.495 -4.501 1.00 0.11 O ATOM 1015 CB ILE A 122 -2.143 -2.914 -3.762 1.00 0.10 C ATOM 1016 CG1 ILE A 122 -1.106 -2.802 -2.648 1.00 0.10 C ATOM 1017 CG2 ILE A 122 -3.116 -1.746 -3.738 1.00 0.11 C ATOM 1018 CD1 ILE A 122 -0.434 -1.456 -2.549 1.00 0.10 C ATOM 0 H ILE A 122 -0.968 -5.043 -3.718 1.00 0.10 H new ATOM 0 HA ILE A 122 -3.405 -4.275 -2.660 1.00 0.10 H new ATOM 0 HB ILE A 122 -1.636 -2.880 -4.726 1.00 0.10 H new ATOM 0 HG12 ILE A 122 -1.589 -3.023 -1.696 1.00 0.10 H new ATOM 0 HG13 ILE A 122 -0.342 -3.564 -2.802 1.00 0.10 H new ATOM 0 HG21 ILE A 122 -2.565 -0.811 -3.841 1.00 0.11 H new ATOM 0 HG22 ILE A 122 -3.822 -1.844 -4.562 1.00 0.11 H new ATOM 0 HG23 ILE A 122 -3.659 -1.744 -2.793 1.00 0.11 H new ATOM 0 HD11 ILE A 122 0.286 -1.468 -1.731 1.00 0.10 H new ATOM 0 HD12 ILE A 122 0.082 -1.237 -3.484 1.00 0.10 H new ATOM 0 HD13 ILE A 122 -1.184 -0.688 -2.360 1.00 0.10 H new ATOM 1030 N LEU A 123 -3.391 -4.502 -5.957 1.00 0.11 N ATOM 1031 CA LEU A 123 -4.220 -4.646 -7.150 1.00 0.12 C ATOM 1032 C LEU A 123 -4.941 -5.990 -7.169 1.00 0.13 C ATOM 1033 O LEU A 123 -6.029 -6.113 -7.730 1.00 0.14 O ATOM 1034 CB LEU A 123 -3.357 -4.517 -8.408 1.00 0.14 C ATOM 1035 CG LEU A 123 -3.107 -3.096 -8.916 1.00 0.15 C ATOM 1036 CD1 LEU A 123 -2.503 -2.229 -7.829 1.00 0.16 C ATOM 1037 CD2 LEU A 123 -2.193 -3.134 -10.128 1.00 0.20 C ATOM 0 H LEU A 123 -2.390 -4.477 -6.149 1.00 0.11 H new ATOM 0 HA LEU A 123 -4.968 -3.853 -7.131 1.00 0.12 H new ATOM 0 HB2 LEU A 123 -2.392 -4.984 -8.210 1.00 0.14 H new ATOM 0 HB3 LEU A 123 -3.830 -5.088 -9.207 1.00 0.14 H new ATOM 0 HG LEU A 123 -4.064 -2.659 -9.203 1.00 0.15 H new ATOM 0 HD11 LEU A 123 -2.335 -1.224 -8.216 1.00 0.16 H new ATOM 0 HD12 LEU A 123 -3.185 -2.182 -6.980 1.00 0.16 H new ATOM 0 HD13 LEU A 123 -1.554 -2.657 -7.508 1.00 0.16 H new ATOM 0 HD21 LEU A 123 -2.019 -2.119 -10.485 1.00 0.20 H new ATOM 0 HD22 LEU A 123 -1.242 -3.590 -9.852 1.00 0.20 H new ATOM 0 HD23 LEU A 123 -2.661 -3.721 -10.918 1.00 0.20 H new ATOM 1049 N ALA A 124 -4.324 -6.991 -6.557 1.00 0.14 N ATOM 1050 CA ALA A 124 -4.919 -8.315 -6.441 1.00 0.16 C ATOM 1051 C ALA A 124 -6.193 -8.250 -5.614 1.00 0.17 C ATOM 1052 O ALA A 124 -7.067 -9.113 -5.705 1.00 0.23 O ATOM 1053 CB ALA A 124 -3.928 -9.273 -5.808 1.00 0.17 C ATOM 0 H ALA A 124 -3.402 -6.909 -6.129 1.00 0.14 H new ATOM 0 HA ALA A 124 -5.172 -8.677 -7.437 1.00 0.16 H new ATOM 0 HB1 ALA A 124 -4.380 -10.261 -5.724 1.00 0.17 H new ATOM 0 HB2 ALA A 124 -3.034 -9.334 -6.428 1.00 0.17 H new ATOM 0 HB3 ALA A 124 -3.657 -8.913 -4.816 1.00 0.17 H new ATOM 1059 N ALA A 125 -6.288 -7.198 -4.821 1.00 0.13 N ATOM 1060 CA ALA A 125 -7.438 -6.966 -3.977 1.00 0.14 C ATOM 1061 C ALA A 125 -8.344 -5.934 -4.626 1.00 0.14 C ATOM 1062 O ALA A 125 -9.321 -5.478 -4.039 1.00 0.20 O ATOM 1063 CB ALA A 125 -6.982 -6.498 -2.608 1.00 0.15 C ATOM 0 H ALA A 125 -5.566 -6.481 -4.747 1.00 0.13 H new ATOM 0 HA ALA A 125 -7.998 -7.893 -3.855 1.00 0.14 H new ATOM 0 HB1 ALA A 125 -7.852 -6.324 -1.975 1.00 0.15 H new ATOM 0 HB2 ALA A 125 -6.350 -7.261 -2.155 1.00 0.15 H new ATOM 0 HB3 ALA A 125 -6.416 -5.572 -2.710 1.00 0.15 H new ATOM 1069 N GLY A 126 -7.996 -5.571 -5.851 1.00 0.13 N ATOM 1070 CA GLY A 126 -8.741 -4.570 -6.575 1.00 0.16 C ATOM 1071 C GLY A 126 -8.248 -3.181 -6.254 1.00 0.15 C ATOM 1072 O GLY A 126 -8.709 -2.194 -6.827 1.00 0.21 O ATOM 0 H GLY A 126 -7.201 -5.959 -6.359 1.00 0.13 H new ATOM 0 HA2 GLY A 126 -8.652 -4.751 -7.646 1.00 0.16 H new ATOM 0 HA3 GLY A 126 -9.799 -4.649 -6.325 1.00 0.16 H new ATOM 1076 N GLY A 127 -7.284 -3.128 -5.347 1.00 0.15 N ATOM 1077 CA GLY A 127 -6.782 -1.882 -4.827 1.00 0.16 C ATOM 1078 C GLY A 127 -6.150 -1.010 -5.885 1.00 0.19 C ATOM 1079 O GLY A 127 -5.510 -1.499 -6.814 1.00 0.35 O ATOM 0 H GLY A 127 -6.832 -3.954 -4.955 1.00 0.15 H new ATOM 0 HA2 GLY A 127 -7.599 -1.336 -4.356 1.00 0.16 H new ATOM 0 HA3 GLY A 127 -6.047 -2.090 -4.049 1.00 0.16 H new ATOM 1083 N VAL A 128 -6.347 0.282 -5.737 1.00 0.16 N ATOM 1084 CA VAL A 128 -5.809 1.261 -6.659 1.00 0.22 C ATOM 1085 C VAL A 128 -4.458 1.749 -6.162 1.00 0.18 C ATOM 1086 O VAL A 128 -4.214 1.763 -4.965 1.00 0.36 O ATOM 1087 CB VAL A 128 -6.768 2.458 -6.773 1.00 0.40 C ATOM 1088 CG1 VAL A 128 -6.372 3.368 -7.920 1.00 1.05 C ATOM 1089 CG2 VAL A 128 -8.199 1.966 -6.919 1.00 0.64 C ATOM 0 H VAL A 128 -6.887 0.685 -4.971 1.00 0.16 H new ATOM 0 HA VAL A 128 -5.692 0.795 -7.637 1.00 0.22 H new ATOM 0 HB VAL A 128 -6.701 3.048 -5.859 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -7.067 4.205 -7.977 1.00 1.05 H new ATOM 0 HG12 VAL A 128 -5.363 3.745 -7.754 1.00 1.05 H new ATOM 0 HG13 VAL A 128 -6.401 2.808 -8.855 1.00 1.05 H new ATOM 0 HG21 VAL A 128 -8.871 2.820 -6.999 1.00 0.64 H new ATOM 0 HG22 VAL A 128 -8.283 1.353 -7.816 1.00 0.64 H new ATOM 0 HG23 VAL A 128 -8.470 1.372 -6.047 1.00 0.64 H new ATOM 1099 N VAL A 129 -3.575 2.128 -7.070 1.00 0.21 N ATOM 1100 CA VAL A 129 -2.282 2.662 -6.673 1.00 0.20 C ATOM 1101 C VAL A 129 -2.054 4.048 -7.273 1.00 0.23 C ATOM 1102 O VAL A 129 -2.225 4.252 -8.478 1.00 0.32 O ATOM 1103 CB VAL A 129 -1.125 1.716 -7.060 1.00 0.24 C ATOM 1104 CG1 VAL A 129 -1.165 0.460 -6.203 1.00 0.21 C ATOM 1105 CG2 VAL A 129 -1.180 1.354 -8.539 1.00 0.31 C ATOM 0 H VAL A 129 -3.726 2.077 -8.077 1.00 0.21 H new ATOM 0 HA VAL A 129 -2.293 2.748 -5.586 1.00 0.20 H new ATOM 0 HB VAL A 129 -0.185 2.238 -6.879 1.00 0.24 H new ATOM 0 HG11 VAL A 129 -0.344 -0.199 -6.485 1.00 0.21 H new ATOM 0 HG12 VAL A 129 -1.066 0.733 -5.152 1.00 0.21 H new ATOM 0 HG13 VAL A 129 -2.113 -0.055 -6.356 1.00 0.21 H new ATOM 0 HG21 VAL A 129 -0.353 0.687 -8.781 1.00 0.31 H new ATOM 0 HG22 VAL A 129 -2.124 0.855 -8.757 1.00 0.31 H new ATOM 0 HG23 VAL A 129 -1.102 2.261 -9.139 1.00 0.31 H new ATOM 1115 N GLY A 130 -1.702 5.000 -6.420 1.00 0.35 N ATOM 1116 CA GLY A 130 -1.400 6.345 -6.874 1.00 0.36 C ATOM 1117 C GLY A 130 -0.210 6.930 -6.144 1.00 0.44 C ATOM 1118 O GLY A 130 -0.021 6.670 -4.960 1.00 0.85 O ATOM 0 H GLY A 130 -1.619 4.864 -5.413 1.00 0.35 H new ATOM 0 HA2 GLY A 130 -1.198 6.331 -7.945 1.00 0.36 H new ATOM 0 HA3 GLY A 130 -2.270 6.984 -6.722 1.00 0.36 H new ATOM 1122 N LEU A 131 0.587 7.725 -6.839 1.00 0.32 N ATOM 1123 CA LEU A 131 1.821 8.272 -6.279 1.00 0.33 C ATOM 1124 C LEU A 131 1.539 9.400 -5.289 1.00 0.32 C ATOM 1125 O LEU A 131 1.445 10.567 -5.672 1.00 0.45 O ATOM 1126 CB LEU A 131 2.746 8.782 -7.395 1.00 0.37 C ATOM 1127 CG LEU A 131 3.397 7.708 -8.282 1.00 0.46 C ATOM 1128 CD1 LEU A 131 4.090 6.651 -7.434 1.00 0.97 C ATOM 1129 CD2 LEU A 131 2.378 7.068 -9.217 1.00 1.17 C ATOM 0 H LEU A 131 0.403 8.010 -7.801 1.00 0.32 H new ATOM 0 HA LEU A 131 2.317 7.463 -5.743 1.00 0.33 H new ATOM 0 HB2 LEU A 131 2.173 9.453 -8.035 1.00 0.37 H new ATOM 0 HB3 LEU A 131 3.538 9.376 -6.939 1.00 0.37 H new ATOM 0 HG LEU A 131 4.150 8.200 -8.898 1.00 0.46 H new ATOM 0 HD11 LEU A 131 4.543 5.902 -8.084 1.00 0.97 H new ATOM 0 HD12 LEU A 131 4.864 7.121 -6.828 1.00 0.97 H new ATOM 0 HD13 LEU A 131 3.360 6.171 -6.782 1.00 0.97 H new ATOM 0 HD21 LEU A 131 2.871 6.313 -9.830 1.00 1.17 H new ATOM 0 HD22 LEU A 131 1.589 6.599 -8.629 1.00 1.17 H new ATOM 0 HD23 LEU A 131 1.945 7.833 -9.861 1.00 1.17 H new ATOM 1141 N ASP A 132 1.383 9.044 -4.017 1.00 0.24 N ATOM 1142 CA ASP A 132 1.298 10.037 -2.952 1.00 0.23 C ATOM 1143 C ASP A 132 2.662 10.618 -2.706 1.00 0.39 C ATOM 1144 O ASP A 132 2.848 11.832 -2.616 1.00 0.90 O ATOM 1145 CB ASP A 132 0.777 9.436 -1.648 1.00 0.25 C ATOM 1146 CG ASP A 132 -0.628 9.910 -1.349 1.00 0.65 C ATOM 1147 OD1 ASP A 132 -0.791 11.056 -0.908 1.00 0.98 O ATOM 1148 OD2 ASP A 132 -1.578 9.118 -1.534 1.00 1.06 O ATOM 0 H ASP A 132 1.313 8.077 -3.700 1.00 0.24 H new ATOM 0 HA ASP A 132 0.598 10.808 -3.274 1.00 0.23 H new ATOM 0 HB2 ASP A 132 0.790 8.348 -1.715 1.00 0.25 H new ATOM 0 HB3 ASP A 132 1.439 9.712 -0.827 1.00 0.25 H new ATOM 1153 N SER A 133 3.619 9.724 -2.600 1.00 0.55 N ATOM 1154 CA SER A 133 4.985 10.081 -2.322 1.00 0.69 C ATOM 1155 C SER A 133 5.890 8.975 -2.830 1.00 0.56 C ATOM 1156 O SER A 133 5.467 7.828 -2.920 1.00 0.87 O ATOM 1157 CB SER A 133 5.173 10.245 -0.806 1.00 0.95 C ATOM 1158 OG SER A 133 4.132 11.019 -0.238 1.00 1.30 O ATOM 0 H SER A 133 3.466 8.721 -2.706 1.00 0.55 H new ATOM 0 HA SER A 133 5.233 11.020 -2.817 1.00 0.69 H new ATOM 0 HB2 SER A 133 5.199 9.264 -0.333 1.00 0.95 H new ATOM 0 HB3 SER A 133 6.133 10.721 -0.606 1.00 0.95 H new ATOM 0 HG SER A 133 4.278 11.105 0.727 1.00 1.30 H new ATOM 1164 N GLU A 134 7.110 9.306 -3.196 1.00 0.53 N ATOM 1165 CA GLU A 134 8.119 8.283 -3.367 1.00 0.56 C ATOM 1166 C GLU A 134 8.801 8.097 -2.019 1.00 0.58 C ATOM 1167 O GLU A 134 8.278 8.609 -1.032 1.00 1.01 O ATOM 1168 CB GLU A 134 9.095 8.619 -4.496 1.00 0.88 C ATOM 1169 CG GLU A 134 10.005 9.804 -4.237 1.00 0.95 C ATOM 1170 CD GLU A 134 11.036 9.967 -5.334 1.00 1.45 C ATOM 1171 OE1 GLU A 134 11.964 9.138 -5.417 1.00 1.85 O ATOM 1172 OE2 GLU A 134 10.930 10.942 -6.109 1.00 1.80 O ATOM 0 H GLU A 134 7.424 10.259 -3.378 1.00 0.53 H new ATOM 0 HA GLU A 134 7.664 7.342 -3.678 1.00 0.56 H new ATOM 0 HB2 GLU A 134 9.714 7.743 -4.691 1.00 0.88 H new ATOM 0 HB3 GLU A 134 8.522 8.813 -5.403 1.00 0.88 H new ATOM 0 HG2 GLU A 134 9.407 10.712 -4.161 1.00 0.95 H new ATOM 0 HG3 GLU A 134 10.509 9.673 -3.280 1.00 0.95 H new ATOM 1179 N VAL A 135 9.895 7.328 -1.961 1.00 0.43 N ATOM 1180 CA VAL A 135 10.603 7.053 -0.695 1.00 0.38 C ATOM 1181 C VAL A 135 10.544 8.244 0.273 1.00 0.42 C ATOM 1182 O VAL A 135 11.265 9.227 0.115 1.00 0.52 O ATOM 1183 CB VAL A 135 12.072 6.651 -0.933 1.00 0.46 C ATOM 1184 CG1 VAL A 135 12.161 5.176 -1.297 1.00 0.41 C ATOM 1185 CG2 VAL A 135 12.704 7.508 -2.023 1.00 0.62 C ATOM 0 H VAL A 135 10.314 6.882 -2.777 1.00 0.43 H new ATOM 0 HA VAL A 135 10.081 6.212 -0.237 1.00 0.38 H new ATOM 0 HB VAL A 135 12.626 6.820 -0.009 1.00 0.46 H new ATOM 0 HG11 VAL A 135 13.204 4.904 -1.463 1.00 0.41 H new ATOM 0 HG12 VAL A 135 11.754 4.575 -0.483 1.00 0.41 H new ATOM 0 HG13 VAL A 135 11.589 4.990 -2.206 1.00 0.41 H new ATOM 0 HG21 VAL A 135 13.740 7.203 -2.170 1.00 0.62 H new ATOM 0 HG22 VAL A 135 12.152 7.379 -2.954 1.00 0.62 H new ATOM 0 HG23 VAL A 135 12.673 8.556 -1.726 1.00 0.62 H new ATOM 1195 N LYS A 136 9.641 8.117 1.256 1.00 0.40 N ATOM 1196 CA LYS A 136 9.293 9.163 2.227 1.00 0.50 C ATOM 1197 C LYS A 136 9.331 10.568 1.646 1.00 0.54 C ATOM 1198 O LYS A 136 10.158 11.402 2.010 1.00 0.52 O ATOM 1199 CB LYS A 136 10.069 9.057 3.546 1.00 0.60 C ATOM 1200 CG LYS A 136 11.317 8.198 3.502 1.00 0.59 C ATOM 1201 CD LYS A 136 12.475 8.839 2.756 1.00 1.23 C ATOM 1202 CE LYS A 136 12.846 10.197 3.334 1.00 1.54 C ATOM 1203 NZ LYS A 136 13.247 10.111 4.768 1.00 1.86 N ATOM 0 H LYS A 136 9.116 7.255 1.401 1.00 0.40 H new ATOM 0 HA LYS A 136 8.250 8.969 2.476 1.00 0.50 H new ATOM 0 HB2 LYS A 136 10.351 10.061 3.863 1.00 0.60 H new ATOM 0 HB3 LYS A 136 9.401 8.658 4.309 1.00 0.60 H new ATOM 0 HG2 LYS A 136 11.631 7.977 4.522 1.00 0.59 H new ATOM 0 HG3 LYS A 136 11.075 7.246 3.030 1.00 0.59 H new ATOM 0 HD2 LYS A 136 13.342 8.179 2.797 1.00 1.23 H new ATOM 0 HD3 LYS A 136 12.210 8.953 1.705 1.00 1.23 H new ATOM 0 HE2 LYS A 136 13.665 10.625 2.755 1.00 1.54 H new ATOM 0 HE3 LYS A 136 11.998 10.875 3.236 1.00 1.54 H new ATOM 0 HZ1 LYS A 136 13.571 11.044 5.094 1.00 1.86 H new ATOM 0 HZ2 LYS A 136 12.432 9.809 5.339 1.00 1.86 H new ATOM 0 HZ3 LYS A 136 14.018 9.421 4.872 1.00 1.86 H new