USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 59 MET CE :methyl -136:sc= 0 (180deg=-0.97) USER MOD Single : A 60 THR OG1 : rot 99:sc= -3.16! USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 0.0231 (180deg=0.00375) USER MOD Single : A 68 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.39) USER MOD Single : A 70 SER OG : rot 123:sc= 0.679 USER MOD Single : A 71 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0056) USER MOD Single : A 72 ASN : amide:sc= -0.262 K(o=-0.26,f=-4.8!) USER MOD Single : A 74 SER OG : rot -58:sc= 1.25 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 162:sc= -0.159 (180deg=-0.666) USER MOD Single : A 78 LYS NZ :NH3+ 159:sc= -0.337 (180deg=-0.797) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 75:sc= 1.23 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= 0.0477 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -119:sc= 1.14 USER MOD Single : A 103 MET CE :methyl -134:sc= -0.185 (180deg=-2.33) USER MOD Single : A 108 LYS NZ :NH3+ -168:sc= -0.027 (180deg=-0.227) USER MOD Single : A 109 THR OG1 : rot -143:sc= 0.319 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -2.44! C(o=-2.4!,f=-7.5!) USER MOD Single : A 120 HIS : no HD1:sc=-0.00265 X(o=-0.0027,f=-0.022) USER MOD Single : A 133 SER OG : rot -100:sc= -2.6! USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 58 11.616 5.190 5.850 1.00 0.67 N ATOM 2 CA GLU A 58 11.899 5.200 4.398 1.00 0.44 C ATOM 3 C GLU A 58 10.819 4.439 3.640 1.00 0.28 C ATOM 4 O GLU A 58 10.689 3.230 3.811 1.00 0.22 O ATOM 5 CB GLU A 58 13.267 4.593 4.131 1.00 0.74 C ATOM 6 CG GLU A 58 13.505 4.330 2.667 1.00 0.46 C ATOM 7 CD GLU A 58 14.924 3.907 2.378 1.00 1.11 C ATOM 8 OE1 GLU A 58 15.218 2.700 2.498 1.00 1.82 O ATOM 9 OE2 GLU A 58 15.745 4.777 2.025 1.00 1.28 O ATOM 0 HA GLU A 58 11.900 6.232 4.047 1.00 0.44 H new ATOM 0 HB2 GLU A 58 14.039 5.265 4.506 1.00 0.74 H new ATOM 0 HB3 GLU A 58 13.361 3.659 4.685 1.00 0.74 H new ATOM 0 HG2 GLU A 58 12.821 3.553 2.325 1.00 0.46 H new ATOM 0 HG3 GLU A 58 13.275 5.230 2.098 1.00 0.46 H new ATOM 16 N MET A 59 10.038 5.145 2.800 1.00 0.25 N ATOM 17 CA MET A 59 8.888 4.518 2.136 1.00 0.17 C ATOM 18 C MET A 59 8.132 5.446 1.175 1.00 0.20 C ATOM 19 O MET A 59 7.868 6.597 1.480 1.00 0.29 O ATOM 20 CB MET A 59 7.926 3.989 3.198 1.00 0.16 C ATOM 21 CG MET A 59 7.762 4.924 4.402 1.00 0.25 C ATOM 22 SD MET A 59 6.661 4.252 5.666 1.00 0.75 S ATOM 23 CE MET A 59 6.667 5.576 6.871 1.00 0.59 C ATOM 0 H MET A 59 10.180 6.129 2.571 1.00 0.25 H new ATOM 0 HA MET A 59 9.288 3.711 1.522 1.00 0.17 H new ATOM 0 HB2 MET A 59 6.950 3.824 2.742 1.00 0.16 H new ATOM 0 HB3 MET A 59 8.282 3.020 3.548 1.00 0.16 H new ATOM 0 HG2 MET A 59 8.740 5.115 4.843 1.00 0.25 H new ATOM 0 HG3 MET A 59 7.373 5.883 4.061 1.00 0.25 H new ATOM 0 HE1 MET A 59 6.767 5.156 7.872 1.00 0.59 H new ATOM 0 HE2 MET A 59 7.504 6.245 6.672 1.00 0.59 H new ATOM 0 HE3 MET A 59 5.733 6.134 6.803 1.00 0.59 H new ATOM 33 N THR A 60 7.776 4.899 0.017 1.00 0.19 N ATOM 34 CA THR A 60 6.998 5.595 -1.006 1.00 0.22 C ATOM 35 C THR A 60 5.508 5.298 -0.856 1.00 0.18 C ATOM 36 O THR A 60 5.097 4.152 -0.795 1.00 0.17 O ATOM 37 CB THR A 60 7.470 5.176 -2.411 1.00 0.29 C ATOM 38 OG1 THR A 60 8.808 5.641 -2.614 1.00 0.37 O ATOM 39 CG2 THR A 60 6.549 5.713 -3.499 1.00 0.34 C ATOM 0 H THR A 60 8.023 3.944 -0.243 1.00 0.19 H new ATOM 0 HA THR A 60 7.154 6.666 -0.876 1.00 0.22 H new ATOM 0 HB THR A 60 7.443 4.088 -2.475 1.00 0.29 H new ATOM 0 HG1 THR A 60 9.438 4.908 -2.449 1.00 0.37 H new ATOM 0 HG21 THR A 60 6.916 5.396 -4.475 1.00 0.34 H new ATOM 0 HG22 THR A 60 5.541 5.326 -3.347 1.00 0.34 H new ATOM 0 HG23 THR A 60 6.530 6.802 -3.455 1.00 0.34 H new ATOM 47 N ARG A 61 4.713 6.340 -0.839 1.00 0.20 N ATOM 48 CA ARG A 61 3.313 6.244 -0.500 1.00 0.18 C ATOM 49 C ARG A 61 2.429 6.130 -1.747 1.00 0.17 C ATOM 50 O ARG A 61 2.417 7.019 -2.597 1.00 0.18 O ATOM 51 CB ARG A 61 2.946 7.477 0.311 1.00 0.22 C ATOM 52 CG ARG A 61 1.707 7.308 1.151 1.00 0.33 C ATOM 53 CD ARG A 61 1.387 8.593 1.900 1.00 0.42 C ATOM 54 NE ARG A 61 1.470 8.410 3.347 1.00 0.84 N ATOM 55 CZ ARG A 61 0.761 9.105 4.234 1.00 1.13 C ATOM 56 NH1 ARG A 61 -0.095 10.037 3.828 1.00 1.32 N ATOM 57 NH2 ARG A 61 0.918 8.869 5.530 1.00 1.91 N ATOM 0 H ARG A 61 5.021 7.286 -1.062 1.00 0.20 H new ATOM 0 HA ARG A 61 3.142 5.338 0.081 1.00 0.18 H new ATOM 0 HB2 ARG A 61 3.782 7.734 0.962 1.00 0.22 H new ATOM 0 HB3 ARG A 61 2.801 8.317 -0.368 1.00 0.22 H new ATOM 0 HG2 ARG A 61 0.865 7.032 0.516 1.00 0.33 H new ATOM 0 HG3 ARG A 61 1.851 6.493 1.861 1.00 0.33 H new ATOM 0 HD2 ARG A 61 2.080 9.376 1.592 1.00 0.42 H new ATOM 0 HD3 ARG A 61 0.386 8.930 1.633 1.00 0.42 H new ATOM 0 HE ARG A 61 2.114 7.703 3.701 1.00 0.84 H new ATOM 0 HH11 ARG A 61 -0.212 10.223 2.832 1.00 1.32 H new ATOM 0 HH12 ARG A 61 -0.635 10.566 4.512 1.00 1.32 H new ATOM 0 HH21 ARG A 61 1.579 8.158 5.842 1.00 1.91 H new ATOM 0 HH22 ARG A 61 0.377 9.399 6.214 1.00 1.91 H new ATOM 71 N LEU A 62 1.722 5.007 -1.846 1.00 0.16 N ATOM 72 CA LEU A 62 0.724 4.786 -2.892 1.00 0.15 C ATOM 73 C LEU A 62 -0.674 4.792 -2.289 1.00 0.12 C ATOM 74 O LEU A 62 -1.042 3.872 -1.557 1.00 0.20 O ATOM 75 CB LEU A 62 0.946 3.445 -3.633 1.00 0.23 C ATOM 76 CG LEU A 62 1.919 2.464 -2.986 1.00 0.20 C ATOM 77 CD1 LEU A 62 1.701 1.085 -3.561 1.00 0.28 C ATOM 78 CD2 LEU A 62 3.365 2.889 -3.210 1.00 0.32 C ATOM 0 H LEU A 62 1.824 4.222 -1.202 1.00 0.16 H new ATOM 0 HA LEU A 62 0.829 5.597 -3.613 1.00 0.15 H new ATOM 0 HB2 LEU A 62 -0.019 2.949 -3.738 1.00 0.23 H new ATOM 0 HB3 LEU A 62 1.302 3.666 -4.639 1.00 0.23 H new ATOM 0 HG LEU A 62 1.731 2.454 -1.912 1.00 0.20 H new ATOM 0 HD11 LEU A 62 2.396 0.384 -3.099 1.00 0.28 H new ATOM 0 HD12 LEU A 62 0.678 0.766 -3.363 1.00 0.28 H new ATOM 0 HD13 LEU A 62 1.871 1.108 -4.637 1.00 0.28 H new ATOM 0 HD21 LEU A 62 4.033 2.169 -2.737 1.00 0.32 H new ATOM 0 HD22 LEU A 62 3.572 2.927 -4.280 1.00 0.32 H new ATOM 0 HD23 LEU A 62 3.526 3.875 -2.774 1.00 0.32 H new ATOM 90 N MET A 63 -1.444 5.838 -2.564 1.00 0.10 N ATOM 91 CA MET A 63 -2.816 5.896 -2.091 1.00 0.13 C ATOM 92 C MET A 63 -3.674 4.877 -2.813 1.00 0.18 C ATOM 93 O MET A 63 -3.724 4.833 -4.043 1.00 0.39 O ATOM 94 CB MET A 63 -3.438 7.291 -2.244 1.00 0.18 C ATOM 95 CG MET A 63 -3.707 7.712 -3.681 1.00 0.29 C ATOM 96 SD MET A 63 -4.786 9.155 -3.793 1.00 1.09 S ATOM 97 CE MET A 63 -4.940 9.316 -5.571 1.00 1.80 C ATOM 0 H MET A 63 -1.143 6.648 -3.106 1.00 0.10 H new ATOM 0 HA MET A 63 -2.784 5.664 -1.026 1.00 0.13 H new ATOM 0 HB2 MET A 63 -4.376 7.319 -1.690 1.00 0.18 H new ATOM 0 HB3 MET A 63 -2.774 8.023 -1.783 1.00 0.18 H new ATOM 0 HG2 MET A 63 -2.760 7.932 -4.174 1.00 0.29 H new ATOM 0 HG3 MET A 63 -4.161 6.881 -4.220 1.00 0.29 H new ATOM 0 HE1 MET A 63 -5.580 10.167 -5.805 1.00 1.80 H new ATOM 0 HE2 MET A 63 -3.954 9.472 -6.009 1.00 1.80 H new ATOM 0 HE3 MET A 63 -5.380 8.407 -5.982 1.00 1.80 H new ATOM 107 N VAL A 64 -4.307 4.038 -2.036 1.00 0.11 N ATOM 108 CA VAL A 64 -5.297 3.116 -2.533 1.00 0.11 C ATOM 109 C VAL A 64 -6.665 3.620 -2.115 1.00 0.16 C ATOM 110 O VAL A 64 -6.805 4.167 -1.038 1.00 0.42 O ATOM 111 CB VAL A 64 -5.052 1.703 -1.965 1.00 0.14 C ATOM 112 CG1 VAL A 64 -6.167 0.758 -2.341 1.00 0.17 C ATOM 113 CG2 VAL A 64 -3.727 1.156 -2.451 1.00 0.18 C ATOM 0 H VAL A 64 -4.149 3.974 -1.030 1.00 0.11 H new ATOM 0 HA VAL A 64 -5.235 3.054 -3.620 1.00 0.11 H new ATOM 0 HB VAL A 64 -5.026 1.786 -0.878 1.00 0.14 H new ATOM 0 HG11 VAL A 64 -5.963 -0.229 -1.925 1.00 0.17 H new ATOM 0 HG12 VAL A 64 -7.110 1.132 -1.943 1.00 0.17 H new ATOM 0 HG13 VAL A 64 -6.234 0.687 -3.427 1.00 0.17 H new ATOM 0 HG21 VAL A 64 -3.572 0.159 -2.040 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.733 1.103 -3.540 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -2.921 1.812 -2.124 1.00 0.18 H new ATOM 123 N THR A 65 -7.659 3.502 -2.967 1.00 0.19 N ATOM 124 CA THR A 65 -8.998 3.909 -2.579 1.00 0.19 C ATOM 125 C THR A 65 -9.954 2.735 -2.597 1.00 0.20 C ATOM 126 O THR A 65 -10.013 1.989 -3.569 1.00 0.24 O ATOM 127 CB THR A 65 -9.529 5.033 -3.473 1.00 0.22 C ATOM 128 OG1 THR A 65 -8.877 4.995 -4.751 1.00 0.29 O ATOM 129 CG2 THR A 65 -9.320 6.391 -2.814 1.00 0.25 C ATOM 0 H THR A 65 -7.573 3.136 -3.915 1.00 0.19 H new ATOM 0 HA THR A 65 -8.932 4.289 -1.560 1.00 0.19 H new ATOM 0 HB THR A 65 -10.599 4.884 -3.617 1.00 0.22 H new ATOM 0 HG1 THR A 65 -9.224 5.716 -5.317 1.00 0.29 H new ATOM 0 HG21 THR A 65 -9.704 7.175 -3.466 1.00 0.25 H new ATOM 0 HG22 THR A 65 -9.850 6.419 -1.862 1.00 0.25 H new ATOM 0 HG23 THR A 65 -8.256 6.552 -2.642 1.00 0.25 H new ATOM 137 N GLU A 66 -10.687 2.571 -1.510 1.00 0.20 N ATOM 138 CA GLU A 66 -11.630 1.482 -1.375 1.00 0.22 C ATOM 139 C GLU A 66 -13.056 1.972 -1.625 1.00 0.24 C ATOM 140 O GLU A 66 -13.615 2.738 -0.840 1.00 0.31 O ATOM 141 CB GLU A 66 -11.530 0.836 0.009 1.00 0.25 C ATOM 142 CG GLU A 66 -10.146 0.316 0.361 1.00 0.35 C ATOM 143 CD GLU A 66 -9.229 1.401 0.876 1.00 0.54 C ATOM 144 OE1 GLU A 66 -9.479 1.923 1.978 1.00 0.79 O ATOM 145 OE2 GLU A 66 -8.260 1.741 0.164 1.00 0.92 O ATOM 0 H GLU A 66 -10.643 3.189 -0.700 1.00 0.20 H new ATOM 0 HA GLU A 66 -11.381 0.729 -2.123 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -11.832 1.566 0.760 1.00 0.25 H new ATOM 0 HB3 GLU A 66 -12.240 0.010 0.063 1.00 0.25 H new ATOM 0 HG2 GLU A 66 -10.237 -0.465 1.115 1.00 0.35 H new ATOM 0 HG3 GLU A 66 -9.700 -0.143 -0.521 1.00 0.35 H new ATOM 152 N LYS A 67 -13.629 1.523 -2.729 1.00 0.23 N ATOM 153 CA LYS A 67 -15.011 1.834 -3.081 1.00 0.26 C ATOM 154 C LYS A 67 -15.628 0.617 -3.751 1.00 0.26 C ATOM 155 O LYS A 67 -15.044 -0.447 -3.698 1.00 0.27 O ATOM 156 CB LYS A 67 -15.095 3.070 -3.996 1.00 0.32 C ATOM 157 CG LYS A 67 -14.220 2.997 -5.242 1.00 0.36 C ATOM 158 CD LYS A 67 -12.800 3.468 -4.966 1.00 0.34 C ATOM 159 CE LYS A 67 -11.897 3.263 -6.172 1.00 0.53 C ATOM 160 NZ LYS A 67 -12.384 3.996 -7.371 1.00 0.93 N ATOM 0 H LYS A 67 -13.152 0.932 -3.409 1.00 0.23 H new ATOM 0 HA LYS A 67 -15.566 2.075 -2.175 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -16.132 3.209 -4.303 1.00 0.32 H new ATOM 0 HB3 LYS A 67 -14.813 3.952 -3.421 1.00 0.32 H new ATOM 0 HG2 LYS A 67 -14.197 1.971 -5.610 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -14.659 3.609 -6.030 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -12.813 4.524 -4.696 1.00 0.34 H new ATOM 0 HD3 LYS A 67 -12.396 2.925 -4.112 1.00 0.34 H new ATOM 0 HE2 LYS A 67 -10.888 3.597 -5.929 1.00 0.53 H new ATOM 0 HE3 LYS A 67 -11.834 2.199 -6.400 1.00 0.53 H new ATOM 0 HZ1 LYS A 67 -11.808 3.734 -8.196 1.00 0.93 H new ATOM 0 HZ2 LYS A 67 -13.378 3.747 -7.550 1.00 0.93 H new ATOM 0 HZ3 LYS A 67 -12.308 5.020 -7.207 1.00 0.93 H new ATOM 174 N GLN A 68 -16.786 0.753 -4.384 1.00 0.33 N ATOM 175 CA GLN A 68 -17.434 -0.403 -5.018 1.00 0.41 C ATOM 176 C GLN A 68 -16.494 -1.109 -5.998 1.00 0.42 C ATOM 177 O GLN A 68 -16.674 -2.283 -6.322 1.00 0.53 O ATOM 178 CB GLN A 68 -18.725 0.010 -5.722 1.00 0.49 C ATOM 179 CG GLN A 68 -19.859 0.324 -4.762 1.00 1.52 C ATOM 180 CD GLN A 68 -20.168 -0.843 -3.848 1.00 2.26 C ATOM 181 OE1 GLN A 68 -20.964 -1.719 -4.187 1.00 2.79 O ATOM 182 NE2 GLN A 68 -19.557 -0.858 -2.674 1.00 3.05 N ATOM 0 H GLN A 68 -17.294 1.633 -4.475 1.00 0.33 H new ATOM 0 HA GLN A 68 -17.683 -1.109 -4.225 1.00 0.41 H new ATOM 0 HB2 GLN A 68 -18.529 0.886 -6.341 1.00 0.49 H new ATOM 0 HB3 GLN A 68 -19.037 -0.791 -6.393 1.00 0.49 H new ATOM 0 HG2 GLN A 68 -19.595 1.195 -4.162 1.00 1.52 H new ATOM 0 HG3 GLN A 68 -20.752 0.587 -5.329 1.00 1.52 H new ATOM 0 HE21 GLN A 68 -18.904 -0.114 -2.430 1.00 3.05 H new ATOM 0 HE22 GLN A 68 -19.739 -1.614 -2.014 1.00 3.05 H new ATOM 191 N GLU A 69 -15.490 -0.377 -6.447 1.00 0.36 N ATOM 192 CA GLU A 69 -14.432 -0.916 -7.280 1.00 0.40 C ATOM 193 C GLU A 69 -13.480 -1.802 -6.473 1.00 0.33 C ATOM 194 O GLU A 69 -13.329 -2.993 -6.746 1.00 0.39 O ATOM 195 CB GLU A 69 -13.645 0.244 -7.867 1.00 0.45 C ATOM 196 CG GLU A 69 -12.533 -0.172 -8.816 1.00 1.10 C ATOM 197 CD GLU A 69 -11.877 1.013 -9.491 1.00 1.52 C ATOM 198 OE1 GLU A 69 -11.231 1.817 -8.787 1.00 2.34 O ATOM 199 OE2 GLU A 69 -11.982 1.136 -10.727 1.00 1.63 O ATOM 0 H GLU A 69 -15.386 0.617 -6.241 1.00 0.36 H new ATOM 0 HA GLU A 69 -14.882 -1.525 -8.064 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -14.332 0.903 -8.398 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -13.213 0.824 -7.052 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -11.780 -0.735 -8.264 1.00 1.10 H new ATOM 0 HG3 GLU A 69 -12.938 -0.841 -9.575 1.00 1.10 H new ATOM 206 N SER A 70 -12.853 -1.205 -5.470 1.00 0.27 N ATOM 207 CA SER A 70 -11.730 -1.826 -4.786 1.00 0.22 C ATOM 208 C SER A 70 -11.951 -1.952 -3.281 1.00 0.17 C ATOM 209 O SER A 70 -10.992 -2.067 -2.522 1.00 0.16 O ATOM 210 CB SER A 70 -10.483 -0.994 -5.060 1.00 0.26 C ATOM 211 OG SER A 70 -10.843 0.355 -5.296 1.00 0.59 O ATOM 0 H SER A 70 -13.106 -0.285 -5.110 1.00 0.27 H new ATOM 0 HA SER A 70 -11.617 -2.840 -5.169 1.00 0.22 H new ATOM 0 HB2 SER A 70 -9.802 -1.054 -4.211 1.00 0.26 H new ATOM 0 HB3 SER A 70 -9.952 -1.394 -5.924 1.00 0.26 H new ATOM 0 HG SER A 70 -10.380 0.934 -4.655 1.00 0.59 H new ATOM 217 N LYS A 71 -13.204 -1.933 -2.840 1.00 0.19 N ATOM 218 CA LYS A 71 -13.507 -2.151 -1.432 1.00 0.20 C ATOM 219 C LYS A 71 -13.012 -3.515 -0.978 1.00 0.19 C ATOM 220 O LYS A 71 -12.810 -3.753 0.209 1.00 0.22 O ATOM 221 CB LYS A 71 -15.005 -2.016 -1.145 1.00 0.32 C ATOM 222 CG LYS A 71 -15.369 -0.704 -0.465 1.00 0.59 C ATOM 223 CD LYS A 71 -14.819 -0.636 0.951 1.00 0.42 C ATOM 224 CE LYS A 71 -15.043 0.731 1.581 1.00 1.12 C ATOM 225 NZ LYS A 71 -16.485 1.021 1.795 1.00 1.70 N ATOM 0 H LYS A 71 -14.019 -1.770 -3.432 1.00 0.19 H new ATOM 0 HA LYS A 71 -12.985 -1.378 -0.868 1.00 0.20 H new ATOM 0 HB2 LYS A 71 -15.557 -2.098 -2.082 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -15.324 -2.846 -0.514 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -14.978 0.130 -1.048 1.00 0.59 H new ATOM 0 HG3 LYS A 71 -16.453 -0.595 -0.440 1.00 0.59 H new ATOM 0 HD2 LYS A 71 -15.297 -1.401 1.563 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -13.752 -0.859 0.937 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -14.519 0.780 2.535 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -14.611 1.500 0.940 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -16.588 1.947 2.257 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 -16.976 1.034 0.878 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 -16.901 0.284 2.400 1.00 1.70 H new ATOM 239 N ASN A 72 -12.806 -4.398 -1.943 1.00 0.19 N ATOM 240 CA ASN A 72 -12.234 -5.717 -1.700 1.00 0.22 C ATOM 241 C ASN A 72 -10.856 -5.587 -1.058 1.00 0.20 C ATOM 242 O ASN A 72 -10.376 -6.501 -0.385 1.00 0.27 O ATOM 243 CB ASN A 72 -12.113 -6.490 -3.021 1.00 0.26 C ATOM 244 CG ASN A 72 -13.432 -6.629 -3.766 1.00 1.15 C ATOM 245 OD1 ASN A 72 -14.294 -5.748 -3.719 1.00 2.13 O ATOM 246 ND2 ASN A 72 -13.590 -7.731 -4.482 1.00 1.62 N ATOM 0 H ASN A 72 -13.031 -4.221 -2.922 1.00 0.19 H new ATOM 0 HA ASN A 72 -12.893 -6.260 -1.023 1.00 0.22 H new ATOM 0 HB2 ASN A 72 -11.393 -5.984 -3.664 1.00 0.26 H new ATOM 0 HB3 ASN A 72 -11.714 -7.483 -2.816 1.00 0.26 H new ATOM 0 HD21 ASN A 72 -14.446 -7.872 -5.018 1.00 1.62 H new ATOM 0 HD22 ASN A 72 -12.856 -8.439 -4.498 1.00 1.62 H new ATOM 253 N PHE A 73 -10.233 -4.434 -1.263 1.00 0.16 N ATOM 254 CA PHE A 73 -8.904 -4.167 -0.741 1.00 0.14 C ATOM 255 C PHE A 73 -8.953 -3.768 0.732 1.00 0.14 C ATOM 256 O PHE A 73 -7.986 -3.991 1.464 1.00 0.14 O ATOM 257 CB PHE A 73 -8.229 -3.056 -1.555 1.00 0.14 C ATOM 258 CG PHE A 73 -6.893 -2.643 -1.006 1.00 0.13 C ATOM 259 CD1 PHE A 73 -5.736 -3.267 -1.441 1.00 0.14 C ATOM 260 CD2 PHE A 73 -6.789 -1.618 -0.081 1.00 0.17 C ATOM 261 CE1 PHE A 73 -4.505 -2.880 -0.961 1.00 0.16 C ATOM 262 CE2 PHE A 73 -5.555 -1.226 0.395 1.00 0.19 C ATOM 263 CZ PHE A 73 -4.442 -1.905 0.057 1.00 0.15 C ATOM 0 H PHE A 73 -10.635 -3.662 -1.794 1.00 0.16 H new ATOM 0 HA PHE A 73 -8.323 -5.085 -0.827 1.00 0.14 H new ATOM 0 HB2 PHE A 73 -8.102 -3.395 -2.583 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -8.886 -2.187 -1.585 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -5.800 -4.066 -2.165 1.00 0.14 H new ATOM 0 HD2 PHE A 73 -7.681 -1.121 0.271 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -3.600 -3.316 -1.358 1.00 0.16 H new ATOM 0 HE2 PHE A 73 -5.481 -0.367 1.045 1.00 0.19 H new ATOM 0 HZ PHE A 73 -3.508 -1.705 0.561 1.00 0.15 H new ATOM 273 N SER A 74 -10.082 -3.203 1.162 1.00 0.16 N ATOM 274 CA SER A 74 -10.186 -2.596 2.490 1.00 0.18 C ATOM 275 C SER A 74 -9.725 -3.554 3.589 1.00 0.18 C ATOM 276 O SER A 74 -8.936 -3.190 4.459 1.00 0.24 O ATOM 277 CB SER A 74 -11.619 -2.133 2.760 1.00 0.23 C ATOM 278 OG SER A 74 -12.533 -3.220 2.739 1.00 0.71 O ATOM 0 H SER A 74 -10.938 -3.153 0.610 1.00 0.16 H new ATOM 0 HA SER A 74 -9.524 -1.730 2.504 1.00 0.18 H new ATOM 0 HB2 SER A 74 -11.665 -1.637 3.730 1.00 0.23 H new ATOM 0 HB3 SER A 74 -11.911 -1.397 2.011 1.00 0.23 H new ATOM 0 HG SER A 74 -12.483 -3.673 1.871 1.00 0.71 H new ATOM 284 N LYS A 75 -10.209 -4.786 3.545 1.00 0.16 N ATOM 285 CA LYS A 75 -9.837 -5.774 4.543 1.00 0.18 C ATOM 286 C LYS A 75 -8.559 -6.508 4.135 1.00 0.15 C ATOM 287 O LYS A 75 -7.918 -7.142 4.964 1.00 0.20 O ATOM 288 CB LYS A 75 -10.966 -6.773 4.751 1.00 0.24 C ATOM 289 CG LYS A 75 -10.846 -7.544 6.052 1.00 0.76 C ATOM 290 CD LYS A 75 -11.030 -6.640 7.262 1.00 0.90 C ATOM 291 CE LYS A 75 -10.939 -7.420 8.563 1.00 1.87 C ATOM 292 NZ LYS A 75 -11.176 -6.550 9.745 1.00 2.17 N ATOM 0 H LYS A 75 -10.857 -5.123 2.833 1.00 0.16 H new ATOM 0 HA LYS A 75 -9.651 -5.250 5.481 1.00 0.18 H new ATOM 0 HB2 LYS A 75 -11.919 -6.244 4.736 1.00 0.24 H new ATOM 0 HB3 LYS A 75 -10.979 -7.476 3.918 1.00 0.24 H new ATOM 0 HG2 LYS A 75 -11.592 -8.338 6.074 1.00 0.76 H new ATOM 0 HG3 LYS A 75 -9.869 -8.024 6.102 1.00 0.76 H new ATOM 0 HD2 LYS A 75 -10.270 -5.859 7.252 1.00 0.90 H new ATOM 0 HD3 LYS A 75 -11.999 -6.144 7.202 1.00 0.90 H new ATOM 0 HE2 LYS A 75 -11.670 -8.229 8.554 1.00 1.87 H new ATOM 0 HE3 LYS A 75 -9.955 -7.881 8.642 1.00 1.87 H new ATOM 0 HZ1 LYS A 75 -11.106 -7.118 10.614 1.00 2.17 H new ATOM 0 HZ2 LYS A 75 -10.463 -5.793 9.767 1.00 2.17 H new ATOM 0 HZ3 LYS A 75 -12.125 -6.130 9.682 1.00 2.17 H new ATOM 306 N MET A 76 -8.189 -6.411 2.857 1.00 0.13 N ATOM 307 CA MET A 76 -6.981 -7.072 2.356 1.00 0.15 C ATOM 308 C MET A 76 -5.756 -6.495 3.030 1.00 0.16 C ATOM 309 O MET A 76 -4.907 -7.222 3.541 1.00 0.20 O ATOM 310 CB MET A 76 -6.827 -6.897 0.843 1.00 0.17 C ATOM 311 CG MET A 76 -5.690 -7.727 0.257 1.00 0.23 C ATOM 312 SD MET A 76 -5.945 -9.501 0.472 1.00 0.51 S ATOM 313 CE MET A 76 -7.469 -9.743 -0.438 1.00 1.35 C ATOM 0 H MET A 76 -8.705 -5.884 2.152 1.00 0.13 H new ATOM 0 HA MET A 76 -7.078 -8.134 2.581 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.761 -7.175 0.354 1.00 0.17 H new ATOM 0 HB3 MET A 76 -6.652 -5.844 0.621 1.00 0.17 H new ATOM 0 HG2 MET A 76 -5.592 -7.504 -0.805 1.00 0.23 H new ATOM 0 HG3 MET A 76 -4.752 -7.438 0.731 1.00 0.23 H new ATOM 0 HE1 MET A 76 -7.589 -10.801 -0.671 1.00 1.35 H new ATOM 0 HE2 MET A 76 -8.311 -9.407 0.167 1.00 1.35 H new ATOM 0 HE3 MET A 76 -7.435 -9.169 -1.364 1.00 1.35 H new ATOM 323 N ALA A 77 -5.680 -5.178 3.013 1.00 0.15 N ATOM 324 CA ALA A 77 -4.577 -4.470 3.635 1.00 0.19 C ATOM 325 C ALA A 77 -4.535 -4.761 5.131 1.00 0.26 C ATOM 326 O ALA A 77 -3.477 -4.994 5.711 1.00 0.47 O ATOM 327 CB ALA A 77 -4.708 -2.979 3.386 1.00 0.17 C ATOM 0 H ALA A 77 -6.373 -4.573 2.572 1.00 0.15 H new ATOM 0 HA ALA A 77 -3.643 -4.816 3.192 1.00 0.19 H new ATOM 0 HB1 ALA A 77 -3.875 -2.457 3.857 1.00 0.17 H new ATOM 0 HB2 ALA A 77 -4.697 -2.787 2.313 1.00 0.17 H new ATOM 0 HB3 ALA A 77 -5.647 -2.621 3.809 1.00 0.17 H new ATOM 333 N LYS A 78 -5.711 -4.756 5.734 1.00 0.17 N ATOM 334 CA LYS A 78 -5.872 -5.006 7.146 1.00 0.21 C ATOM 335 C LYS A 78 -5.754 -6.475 7.508 1.00 0.19 C ATOM 336 O LYS A 78 -5.803 -6.839 8.681 1.00 0.33 O ATOM 337 CB LYS A 78 -7.212 -4.477 7.545 1.00 0.32 C ATOM 338 CG LYS A 78 -7.224 -2.988 7.394 1.00 0.54 C ATOM 339 CD LYS A 78 -8.591 -2.418 7.465 1.00 0.46 C ATOM 340 CE LYS A 78 -9.167 -2.489 8.846 1.00 0.58 C ATOM 341 NZ LYS A 78 -8.177 -2.138 9.906 1.00 1.30 N ATOM 0 H LYS A 78 -6.588 -4.575 5.246 1.00 0.17 H new ATOM 0 HA LYS A 78 -5.068 -4.504 7.684 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -7.990 -4.923 6.925 1.00 0.32 H new ATOM 0 HB3 LYS A 78 -7.431 -4.751 8.577 1.00 0.32 H new ATOM 0 HG2 LYS A 78 -6.608 -2.542 8.175 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -6.772 -2.720 6.439 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -8.566 -1.379 7.137 1.00 0.46 H new ATOM 0 HD3 LYS A 78 -9.242 -2.954 6.775 1.00 0.46 H new ATOM 0 HE2 LYS A 78 -10.020 -1.813 8.914 1.00 0.58 H new ATOM 0 HE3 LYS A 78 -9.543 -3.496 9.026 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 -8.680 -1.857 10.772 1.00 1.30 H new ATOM 0 HZ2 LYS A 78 -7.576 -2.963 10.107 1.00 1.30 H new ATOM 0 HZ3 LYS A 78 -7.583 -1.349 9.579 1.00 1.30 H new ATOM 355 N SER A 79 -5.605 -7.316 6.507 1.00 0.13 N ATOM 356 CA SER A 79 -5.483 -8.739 6.748 1.00 0.14 C ATOM 357 C SER A 79 -4.089 -9.039 7.291 1.00 0.15 C ATOM 358 O SER A 79 -3.170 -8.235 7.111 1.00 0.17 O ATOM 359 CB SER A 79 -5.756 -9.530 5.467 1.00 0.21 C ATOM 360 OG SER A 79 -5.745 -10.927 5.705 1.00 0.30 O ATOM 0 H SER A 79 -5.566 -7.043 5.525 1.00 0.13 H new ATOM 0 HA SER A 79 -6.225 -9.045 7.486 1.00 0.14 H new ATOM 0 HB2 SER A 79 -6.723 -9.238 5.057 1.00 0.21 H new ATOM 0 HB3 SER A 79 -5.004 -9.282 4.718 1.00 0.21 H new ATOM 0 HG SER A 79 -5.924 -11.403 4.867 1.00 0.30 H new ATOM 366 N GLN A 80 -3.933 -10.185 7.947 1.00 0.26 N ATOM 367 CA GLN A 80 -2.685 -10.532 8.625 1.00 0.33 C ATOM 368 C GLN A 80 -1.484 -10.409 7.689 1.00 0.27 C ATOM 369 O GLN A 80 -0.461 -9.829 8.056 1.00 0.32 O ATOM 370 CB GLN A 80 -2.763 -11.953 9.177 1.00 0.45 C ATOM 371 CG GLN A 80 -1.524 -12.376 9.948 1.00 1.51 C ATOM 372 CD GLN A 80 -1.587 -13.812 10.419 1.00 1.98 C ATOM 373 OE1 GLN A 80 -2.788 -14.298 10.661 1.00 2.65 O flip ATOM 374 NE2 GLN A 80 -0.563 -14.482 10.552 1.00 2.42 N flip ATOM 0 H GLN A 80 -4.661 -10.895 8.024 1.00 0.26 H new ATOM 0 HA GLN A 80 -2.549 -9.828 9.446 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -3.632 -12.033 9.830 1.00 0.45 H new ATOM 0 HB3 GLN A 80 -2.921 -12.646 8.351 1.00 0.45 H new ATOM 0 HG2 GLN A 80 -0.646 -12.244 9.316 1.00 1.51 H new ATOM 0 HG3 GLN A 80 -1.397 -11.721 10.810 1.00 1.51 H new ATOM 0 HE21 GLN A 80 0.347 -14.067 10.354 1.00 2.42 H new ATOM 0 HE22 GLN A 80 -0.625 -15.452 10.860 1.00 2.42 H new ATOM 383 N SER A 81 -1.625 -10.939 6.481 1.00 0.24 N ATOM 384 CA SER A 81 -0.546 -10.926 5.507 1.00 0.22 C ATOM 385 C SER A 81 -0.094 -9.504 5.199 1.00 0.16 C ATOM 386 O SER A 81 1.090 -9.173 5.305 1.00 0.18 O ATOM 387 CB SER A 81 -0.987 -11.623 4.225 1.00 0.27 C ATOM 388 OG SER A 81 0.047 -11.628 3.256 1.00 0.99 O ATOM 0 H SER A 81 -2.482 -11.385 6.153 1.00 0.24 H new ATOM 0 HA SER A 81 0.300 -11.463 5.936 1.00 0.22 H new ATOM 0 HB2 SER A 81 -1.282 -12.648 4.450 1.00 0.27 H new ATOM 0 HB3 SER A 81 -1.865 -11.120 3.820 1.00 0.27 H new ATOM 0 HG SER A 81 -0.266 -12.083 2.446 1.00 0.99 H new ATOM 394 N PHE A 82 -1.041 -8.650 4.844 1.00 0.12 N ATOM 395 CA PHE A 82 -0.702 -7.312 4.409 1.00 0.11 C ATOM 396 C PHE A 82 -0.398 -6.408 5.603 1.00 0.12 C ATOM 397 O PHE A 82 0.291 -5.407 5.472 1.00 0.14 O ATOM 398 CB PHE A 82 -1.802 -6.710 3.542 1.00 0.12 C ATOM 399 CG PHE A 82 -1.247 -5.896 2.409 1.00 0.11 C ATOM 400 CD1 PHE A 82 -0.472 -6.481 1.425 1.00 0.09 C ATOM 401 CD2 PHE A 82 -1.523 -4.540 2.324 1.00 0.14 C ATOM 402 CE1 PHE A 82 0.025 -5.732 0.383 1.00 0.10 C ATOM 403 CE2 PHE A 82 -1.031 -3.784 1.279 1.00 0.13 C ATOM 404 CZ PHE A 82 -0.192 -4.404 0.321 1.00 0.09 C ATOM 0 H PHE A 82 -2.039 -8.860 4.849 1.00 0.12 H new ATOM 0 HA PHE A 82 0.198 -7.386 3.799 1.00 0.11 H new ATOM 0 HB2 PHE A 82 -2.426 -7.509 3.142 1.00 0.12 H new ATOM 0 HB3 PHE A 82 -2.445 -6.082 4.158 1.00 0.12 H new ATOM 0 HD1 PHE A 82 -0.254 -7.538 1.475 1.00 0.09 H new ATOM 0 HD2 PHE A 82 -2.130 -4.070 3.084 1.00 0.14 H new ATOM 0 HE1 PHE A 82 0.597 -6.215 -0.395 1.00 0.10 H new ATOM 0 HE2 PHE A 82 -1.282 -2.737 1.193 1.00 0.13 H new ATOM 0 HZ PHE A 82 0.272 -3.814 -0.456 1.00 0.09 H new ATOM 414 N SER A 83 -0.896 -6.758 6.772 1.00 0.13 N ATOM 415 CA SER A 83 -0.581 -5.991 7.966 1.00 0.17 C ATOM 416 C SER A 83 0.909 -6.083 8.292 1.00 0.21 C ATOM 417 O SER A 83 1.430 -5.283 9.056 1.00 0.40 O ATOM 418 CB SER A 83 -1.411 -6.476 9.155 1.00 0.21 C ATOM 419 OG SER A 83 -2.794 -6.267 8.929 1.00 1.17 O ATOM 0 H SER A 83 -1.512 -7.557 6.923 1.00 0.13 H new ATOM 0 HA SER A 83 -0.829 -4.948 7.771 1.00 0.17 H new ATOM 0 HB2 SER A 83 -1.223 -7.536 9.326 1.00 0.21 H new ATOM 0 HB3 SER A 83 -1.103 -5.948 10.057 1.00 0.21 H new ATOM 0 HG SER A 83 -3.126 -6.935 8.293 1.00 1.17 H new ATOM 425 N THR A 84 1.567 -7.101 7.756 1.00 0.17 N ATOM 426 CA THR A 84 2.984 -7.303 7.945 1.00 0.22 C ATOM 427 C THR A 84 3.844 -6.859 6.746 1.00 0.16 C ATOM 428 O THR A 84 4.906 -6.264 6.927 1.00 0.21 O ATOM 429 CB THR A 84 3.221 -8.792 8.213 1.00 0.36 C ATOM 430 OG1 THR A 84 2.634 -9.172 9.464 1.00 0.80 O ATOM 431 CG2 THR A 84 4.689 -9.110 8.198 1.00 0.64 C ATOM 0 H THR A 84 1.123 -7.812 7.174 1.00 0.17 H new ATOM 0 HA THR A 84 3.291 -6.680 8.785 1.00 0.22 H new ATOM 0 HB THR A 84 2.744 -9.365 7.418 1.00 0.36 H new ATOM 0 HG1 THR A 84 2.791 -10.126 9.623 1.00 0.80 H new ATOM 0 HG21 THR A 84 4.833 -10.173 8.391 1.00 0.64 H new ATOM 0 HG22 THR A 84 5.106 -8.858 7.223 1.00 0.64 H new ATOM 0 HG23 THR A 84 5.195 -8.530 8.970 1.00 0.64 H new ATOM 439 N ARG A 85 3.359 -7.131 5.533 1.00 0.15 N ATOM 440 CA ARG A 85 4.216 -7.249 4.339 1.00 0.16 C ATOM 441 C ARG A 85 5.284 -6.137 4.190 1.00 0.15 C ATOM 442 O ARG A 85 6.475 -6.432 4.130 1.00 0.15 O ATOM 443 CB ARG A 85 3.363 -7.399 3.062 1.00 0.19 C ATOM 444 CG ARG A 85 2.891 -6.100 2.441 1.00 0.17 C ATOM 445 CD ARG A 85 2.072 -5.319 3.415 1.00 0.14 C ATOM 446 NE ARG A 85 1.859 -3.932 3.001 1.00 0.14 N ATOM 447 CZ ARG A 85 1.882 -2.892 3.840 1.00 0.14 C ATOM 448 NH1 ARG A 85 1.950 -3.094 5.152 1.00 0.14 N ATOM 449 NH2 ARG A 85 1.794 -1.654 3.364 1.00 0.19 N ATOM 0 H ARG A 85 2.367 -7.276 5.345 1.00 0.15 H new ATOM 0 HA ARG A 85 4.795 -8.161 4.487 1.00 0.16 H new ATOM 0 HB2 ARG A 85 3.943 -7.947 2.320 1.00 0.19 H new ATOM 0 HB3 ARG A 85 2.490 -8.008 3.298 1.00 0.19 H new ATOM 0 HG2 ARG A 85 3.750 -5.509 2.124 1.00 0.17 H new ATOM 0 HG3 ARG A 85 2.302 -6.310 1.548 1.00 0.17 H new ATOM 0 HD2 ARG A 85 1.106 -5.807 3.542 1.00 0.14 H new ATOM 0 HD3 ARG A 85 2.565 -5.330 4.387 1.00 0.14 H new ATOM 0 HE ARG A 85 1.682 -3.748 2.013 1.00 0.14 H new ATOM 0 HH11 ARG A 85 1.985 -4.044 5.521 1.00 0.14 H new ATOM 0 HH12 ARG A 85 1.967 -2.299 5.790 1.00 0.14 H new ATOM 0 HH21 ARG A 85 1.709 -1.499 2.359 1.00 0.19 H new ATOM 0 HH22 ARG A 85 1.811 -0.859 4.003 1.00 0.19 H new ATOM 463 N ILE A 86 4.868 -4.874 4.143 1.00 0.13 N ATOM 464 CA ILE A 86 5.790 -3.774 3.892 1.00 0.13 C ATOM 465 C ILE A 86 6.326 -3.241 5.207 1.00 0.14 C ATOM 466 O ILE A 86 7.408 -2.658 5.272 1.00 0.16 O ATOM 467 CB ILE A 86 5.120 -2.616 3.112 1.00 0.10 C ATOM 468 CG1 ILE A 86 4.564 -3.109 1.783 1.00 0.14 C ATOM 469 CG2 ILE A 86 6.099 -1.487 2.885 1.00 0.13 C ATOM 470 CD1 ILE A 86 5.460 -4.105 1.099 1.00 0.21 C ATOM 0 H ILE A 86 3.898 -4.589 4.276 1.00 0.13 H new ATOM 0 HA ILE A 86 6.603 -4.167 3.281 1.00 0.13 H new ATOM 0 HB ILE A 86 4.292 -2.240 3.713 1.00 0.10 H new ATOM 0 HG12 ILE A 86 3.588 -3.564 1.951 1.00 0.14 H new ATOM 0 HG13 ILE A 86 4.409 -2.256 1.123 1.00 0.14 H new ATOM 0 HG21 ILE A 86 5.608 -0.684 2.335 1.00 0.13 H new ATOM 0 HG22 ILE A 86 6.447 -1.109 3.846 1.00 0.13 H new ATOM 0 HG23 ILE A 86 6.949 -1.853 2.310 1.00 0.13 H new ATOM 0 HD11 ILE A 86 5.006 -4.416 0.158 1.00 0.21 H new ATOM 0 HD12 ILE A 86 6.429 -3.647 0.901 1.00 0.21 H new ATOM 0 HD13 ILE A 86 5.595 -4.975 1.742 1.00 0.21 H new ATOM 482 N GLU A 87 5.538 -3.458 6.247 1.00 0.16 N ATOM 483 CA GLU A 87 5.870 -3.061 7.601 1.00 0.20 C ATOM 484 C GLU A 87 7.259 -3.576 7.994 1.00 0.22 C ATOM 485 O GLU A 87 7.950 -2.977 8.816 1.00 0.28 O ATOM 486 CB GLU A 87 4.817 -3.646 8.545 1.00 0.27 C ATOM 487 CG GLU A 87 3.388 -3.490 8.051 1.00 0.40 C ATOM 488 CD GLU A 87 2.700 -2.232 8.517 1.00 0.44 C ATOM 489 OE1 GLU A 87 2.791 -1.906 9.721 1.00 0.56 O ATOM 490 OE2 GLU A 87 2.022 -1.593 7.683 1.00 0.89 O ATOM 0 H GLU A 87 4.634 -3.924 6.170 1.00 0.16 H new ATOM 0 HA GLU A 87 5.882 -1.973 7.668 1.00 0.20 H new ATOM 0 HB2 GLU A 87 5.026 -4.706 8.693 1.00 0.27 H new ATOM 0 HB3 GLU A 87 4.909 -3.164 9.518 1.00 0.27 H new ATOM 0 HG2 GLU A 87 3.390 -3.506 6.961 1.00 0.40 H new ATOM 0 HG3 GLU A 87 2.807 -4.351 8.381 1.00 0.40 H new ATOM 497 N GLU A 88 7.661 -4.691 7.385 1.00 0.25 N ATOM 498 CA GLU A 88 8.957 -5.296 7.660 1.00 0.30 C ATOM 499 C GLU A 88 10.047 -4.651 6.816 1.00 0.32 C ATOM 500 O GLU A 88 11.222 -4.646 7.184 1.00 0.37 O ATOM 501 CB GLU A 88 8.928 -6.787 7.340 1.00 0.42 C ATOM 502 CG GLU A 88 7.876 -7.574 8.094 1.00 0.52 C ATOM 503 CD GLU A 88 8.010 -9.061 7.852 1.00 1.09 C ATOM 504 OE1 GLU A 88 8.106 -9.471 6.673 1.00 1.64 O ATOM 505 OE2 GLU A 88 8.015 -9.826 8.835 1.00 1.54 O ATOM 0 H GLU A 88 7.102 -5.193 6.695 1.00 0.25 H new ATOM 0 HA GLU A 88 9.171 -5.142 8.718 1.00 0.30 H new ATOM 0 HB2 GLU A 88 8.759 -6.912 6.270 1.00 0.42 H new ATOM 0 HB3 GLU A 88 9.908 -7.211 7.560 1.00 0.42 H new ATOM 0 HG2 GLU A 88 7.964 -7.370 9.161 1.00 0.52 H new ATOM 0 HG3 GLU A 88 6.884 -7.243 7.787 1.00 0.52 H new ATOM 512 N LEU A 89 9.642 -4.102 5.688 1.00 0.34 N ATOM 513 CA LEU A 89 10.575 -3.668 4.665 1.00 0.35 C ATOM 514 C LEU A 89 10.962 -2.205 4.813 1.00 0.34 C ATOM 515 O LEU A 89 11.885 -1.730 4.152 1.00 0.38 O ATOM 516 CB LEU A 89 9.975 -3.907 3.286 1.00 0.33 C ATOM 517 CG LEU A 89 10.744 -4.877 2.401 1.00 0.32 C ATOM 518 CD1 LEU A 89 12.229 -4.569 2.411 1.00 0.32 C ATOM 519 CD2 LEU A 89 10.493 -6.306 2.828 1.00 0.37 C ATOM 0 H LEU A 89 8.662 -3.944 5.454 1.00 0.34 H new ATOM 0 HA LEU A 89 11.485 -4.256 4.785 1.00 0.35 H new ATOM 0 HB2 LEU A 89 8.959 -4.282 3.410 1.00 0.33 H new ATOM 0 HB3 LEU A 89 9.901 -2.950 2.769 1.00 0.33 H new ATOM 0 HG LEU A 89 10.383 -4.755 1.380 1.00 0.32 H new ATOM 0 HD11 LEU A 89 12.752 -5.279 1.770 1.00 0.32 H new ATOM 0 HD12 LEU A 89 12.393 -3.557 2.042 1.00 0.32 H new ATOM 0 HD13 LEU A 89 12.611 -4.650 3.429 1.00 0.32 H new ATOM 0 HD21 LEU A 89 11.052 -6.982 2.182 1.00 0.37 H new ATOM 0 HD22 LEU A 89 10.817 -6.440 3.860 1.00 0.37 H new ATOM 0 HD23 LEU A 89 9.429 -6.527 2.750 1.00 0.37 H new ATOM 531 N GLY A 90 10.251 -1.486 5.659 1.00 0.31 N ATOM 532 CA GLY A 90 10.580 -0.100 5.882 1.00 0.31 C ATOM 533 C GLY A 90 9.375 0.799 5.741 1.00 0.26 C ATOM 534 O GLY A 90 9.339 1.900 6.289 1.00 0.29 O ATOM 0 H GLY A 90 9.455 -1.835 6.193 1.00 0.31 H new ATOM 0 HA2 GLY A 90 11.003 0.016 6.880 1.00 0.31 H new ATOM 0 HA3 GLY A 90 11.347 0.209 5.172 1.00 0.31 H new ATOM 538 N GLY A 91 8.389 0.322 4.999 1.00 0.22 N ATOM 539 CA GLY A 91 7.175 1.081 4.799 1.00 0.18 C ATOM 540 C GLY A 91 6.063 0.598 5.716 1.00 0.14 C ATOM 541 O GLY A 91 6.346 -0.042 6.728 1.00 0.16 O ATOM 0 H GLY A 91 8.409 -0.583 4.529 1.00 0.22 H new ATOM 0 HA2 GLY A 91 7.369 2.137 4.985 1.00 0.18 H new ATOM 0 HA3 GLY A 91 6.856 0.994 3.760 1.00 0.18 H new ATOM 545 N SER A 92 4.800 0.860 5.351 1.00 0.12 N ATOM 546 CA SER A 92 3.668 0.431 6.163 1.00 0.12 C ATOM 547 C SER A 92 2.342 0.890 5.559 1.00 0.11 C ATOM 548 O SER A 92 2.306 1.485 4.482 1.00 0.12 O ATOM 549 CB SER A 92 3.811 0.939 7.601 1.00 0.16 C ATOM 550 OG SER A 92 4.016 2.344 7.642 1.00 0.21 O ATOM 0 H SER A 92 4.544 1.365 4.502 1.00 0.12 H new ATOM 0 HA SER A 92 3.666 -0.659 6.179 1.00 0.12 H new ATOM 0 HB2 SER A 92 2.915 0.685 8.168 1.00 0.16 H new ATOM 0 HB3 SER A 92 4.648 0.435 8.084 1.00 0.16 H new ATOM 0 HG SER A 92 4.101 2.635 8.574 1.00 0.21 H new ATOM 556 N ILE A 93 1.253 0.554 6.236 1.00 0.14 N ATOM 557 CA ILE A 93 -0.091 0.918 5.804 1.00 0.13 C ATOM 558 C ILE A 93 -0.596 2.158 6.543 1.00 0.14 C ATOM 559 O ILE A 93 -0.331 2.337 7.729 1.00 0.25 O ATOM 560 CB ILE A 93 -1.079 -0.243 6.060 1.00 0.18 C ATOM 561 CG1 ILE A 93 -0.814 -1.402 5.118 1.00 0.18 C ATOM 562 CG2 ILE A 93 -2.508 0.221 5.891 1.00 0.22 C ATOM 563 CD1 ILE A 93 -1.202 -2.739 5.693 1.00 0.24 C ATOM 0 H ILE A 93 1.276 0.019 7.104 1.00 0.14 H new ATOM 0 HA ILE A 93 -0.037 1.132 4.737 1.00 0.13 H new ATOM 0 HB ILE A 93 -0.929 -0.579 7.086 1.00 0.18 H new ATOM 0 HG12 ILE A 93 -1.363 -1.240 4.191 1.00 0.18 H new ATOM 0 HG13 ILE A 93 0.245 -1.418 4.862 1.00 0.18 H new ATOM 0 HG21 ILE A 93 -3.186 -0.613 6.076 1.00 0.22 H new ATOM 0 HG22 ILE A 93 -2.717 1.022 6.600 1.00 0.22 H new ATOM 0 HG23 ILE A 93 -2.654 0.588 4.875 1.00 0.22 H new ATOM 0 HD11 ILE A 93 -0.986 -3.523 4.968 1.00 0.24 H new ATOM 0 HD12 ILE A 93 -0.634 -2.922 6.605 1.00 0.24 H new ATOM 0 HD13 ILE A 93 -2.267 -2.741 5.923 1.00 0.24 H new ATOM 575 N SER A 94 -1.309 3.016 5.827 1.00 0.09 N ATOM 576 CA SER A 94 -2.013 4.132 6.432 1.00 0.12 C ATOM 577 C SER A 94 -3.462 4.125 5.982 1.00 0.14 C ATOM 578 O SER A 94 -3.748 4.322 4.809 1.00 0.19 O ATOM 579 CB SER A 94 -1.355 5.446 6.030 1.00 0.15 C ATOM 580 OG SER A 94 0.051 5.365 6.192 1.00 0.17 O ATOM 0 H SER A 94 -1.414 2.957 4.814 1.00 0.09 H new ATOM 0 HA SER A 94 -1.971 4.033 7.517 1.00 0.12 H new ATOM 0 HB2 SER A 94 -1.595 5.678 4.992 1.00 0.15 H new ATOM 0 HB3 SER A 94 -1.751 6.259 6.638 1.00 0.15 H new ATOM 0 HG SER A 94 0.460 6.216 5.928 1.00 0.17 H new ATOM 586 N PHE A 95 -4.373 3.874 6.901 1.00 0.15 N ATOM 587 CA PHE A 95 -5.783 3.873 6.561 1.00 0.16 C ATOM 588 C PHE A 95 -6.423 5.210 6.862 1.00 0.18 C ATOM 589 O PHE A 95 -6.490 5.644 8.012 1.00 0.26 O ATOM 590 CB PHE A 95 -6.537 2.779 7.293 1.00 0.18 C ATOM 591 CG PHE A 95 -6.755 1.549 6.467 1.00 0.26 C ATOM 592 CD1 PHE A 95 -5.716 0.663 6.235 1.00 0.39 C ATOM 593 CD2 PHE A 95 -7.992 1.281 5.923 1.00 0.39 C ATOM 594 CE1 PHE A 95 -5.911 -0.472 5.476 1.00 0.50 C ATOM 595 CE2 PHE A 95 -8.195 0.147 5.160 1.00 0.50 C ATOM 596 CZ PHE A 95 -7.165 -0.727 4.936 1.00 0.52 C ATOM 0 H PHE A 95 -4.166 3.670 7.879 1.00 0.15 H new ATOM 0 HA PHE A 95 -5.844 3.682 5.490 1.00 0.16 H new ATOM 0 HB2 PHE A 95 -5.986 2.509 8.194 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -7.503 3.167 7.615 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -4.741 0.863 6.654 1.00 0.39 H new ATOM 0 HD2 PHE A 95 -8.811 1.964 6.095 1.00 0.39 H new ATOM 0 HE1 PHE A 95 -5.095 -1.157 5.303 1.00 0.50 H new ATOM 0 HE2 PHE A 95 -9.170 -0.051 4.739 1.00 0.50 H new ATOM 0 HZ PHE A 95 -7.327 -1.613 4.340 1.00 0.52 H new ATOM 606 N LEU A 96 -6.886 5.850 5.812 1.00 0.16 N ATOM 607 CA LEU A 96 -7.598 7.100 5.916 1.00 0.18 C ATOM 608 C LEU A 96 -9.081 6.792 5.708 1.00 0.21 C ATOM 609 O LEU A 96 -9.675 7.136 4.679 1.00 0.23 O ATOM 610 CB LEU A 96 -7.084 8.117 4.870 1.00 0.20 C ATOM 611 CG LEU A 96 -5.545 8.303 4.769 1.00 0.21 C ATOM 612 CD1 LEU A 96 -4.917 8.538 6.135 1.00 0.70 C ATOM 613 CD2 LEU A 96 -4.888 7.113 4.095 1.00 0.79 C ATOM 0 H LEU A 96 -6.777 5.514 4.855 1.00 0.16 H new ATOM 0 HA LEU A 96 -7.439 7.554 6.894 1.00 0.18 H new ATOM 0 HB2 LEU A 96 -7.454 7.813 3.891 1.00 0.20 H new ATOM 0 HB3 LEU A 96 -7.529 9.087 5.092 1.00 0.20 H new ATOM 0 HG LEU A 96 -5.374 9.188 4.157 1.00 0.21 H new ATOM 0 HD11 LEU A 96 -3.840 8.664 6.024 1.00 0.70 H new ATOM 0 HD12 LEU A 96 -5.343 9.437 6.581 1.00 0.70 H new ATOM 0 HD13 LEU A 96 -5.118 7.682 6.780 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -3.811 7.275 4.040 1.00 0.79 H new ATOM 0 HD22 LEU A 96 -5.090 6.211 4.672 1.00 0.79 H new ATOM 0 HD23 LEU A 96 -5.289 6.998 3.088 1.00 0.79 H new ATOM 625 N THR A 97 -9.662 6.108 6.695 1.00 0.24 N ATOM 626 CA THR A 97 -10.986 5.500 6.570 1.00 0.29 C ATOM 627 C THR A 97 -12.108 6.530 6.442 1.00 0.34 C ATOM 628 O THR A 97 -13.259 6.169 6.187 1.00 0.41 O ATOM 629 CB THR A 97 -11.267 4.564 7.768 1.00 0.33 C ATOM 630 OG1 THR A 97 -10.741 5.149 8.967 1.00 0.36 O ATOM 631 CG2 THR A 97 -10.650 3.183 7.552 1.00 0.35 C ATOM 0 H THR A 97 -9.226 5.960 7.605 1.00 0.24 H new ATOM 0 HA THR A 97 -10.974 4.923 5.645 1.00 0.29 H new ATOM 0 HB THR A 97 -12.346 4.440 7.859 1.00 0.33 H new ATOM 0 HG1 THR A 97 -9.821 4.841 9.105 1.00 0.36 H new ATOM 0 HG21 THR A 97 -10.866 2.549 8.412 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.073 2.732 6.654 1.00 0.35 H new ATOM 0 HG23 THR A 97 -9.571 3.281 7.435 1.00 0.35 H new ATOM 639 N GLU A 98 -11.776 7.806 6.604 1.00 0.34 N ATOM 640 CA GLU A 98 -12.751 8.878 6.434 1.00 0.42 C ATOM 641 C GLU A 98 -13.329 8.887 5.023 1.00 0.38 C ATOM 642 O GLU A 98 -14.513 9.159 4.829 1.00 0.39 O ATOM 643 CB GLU A 98 -12.123 10.240 6.731 1.00 0.52 C ATOM 644 CG GLU A 98 -10.761 10.457 6.094 1.00 0.85 C ATOM 645 CD GLU A 98 -10.245 11.860 6.323 1.00 1.14 C ATOM 646 OE1 GLU A 98 -10.584 12.759 5.530 1.00 1.39 O ATOM 647 OE2 GLU A 98 -9.488 12.069 7.292 1.00 1.45 O ATOM 0 H GLU A 98 -10.839 8.124 6.853 1.00 0.34 H new ATOM 0 HA GLU A 98 -13.558 8.691 7.143 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -12.800 11.021 6.386 1.00 0.52 H new ATOM 0 HB3 GLU A 98 -12.028 10.355 7.811 1.00 0.52 H new ATOM 0 HG2 GLU A 98 -10.051 9.738 6.503 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -10.827 10.265 5.023 1.00 0.85 H new ATOM 654 N THR A 99 -12.491 8.586 4.044 1.00 0.37 N ATOM 655 CA THR A 99 -12.903 8.618 2.655 1.00 0.37 C ATOM 656 C THR A 99 -12.725 7.239 2.010 1.00 0.34 C ATOM 657 O THR A 99 -13.230 6.973 0.916 1.00 0.55 O ATOM 658 CB THR A 99 -12.089 9.696 1.904 1.00 0.44 C ATOM 659 OG1 THR A 99 -12.295 10.967 2.534 1.00 0.50 O ATOM 660 CG2 THR A 99 -12.474 9.792 0.430 1.00 0.49 C ATOM 0 H THR A 99 -11.518 8.316 4.189 1.00 0.37 H new ATOM 0 HA THR A 99 -13.961 8.874 2.596 1.00 0.37 H new ATOM 0 HB THR A 99 -11.038 9.409 1.950 1.00 0.44 H new ATOM 0 HG1 THR A 99 -11.779 11.654 2.062 1.00 0.50 H new ATOM 0 HG21 THR A 99 -11.874 10.563 -0.053 1.00 0.49 H new ATOM 0 HG22 THR A 99 -12.293 8.834 -0.056 1.00 0.49 H new ATOM 0 HG23 THR A 99 -13.530 10.048 0.346 1.00 0.49 H new ATOM 668 N GLY A 100 -12.036 6.351 2.714 1.00 0.19 N ATOM 669 CA GLY A 100 -11.791 5.027 2.180 1.00 0.18 C ATOM 670 C GLY A 100 -10.501 4.969 1.406 1.00 0.16 C ATOM 671 O GLY A 100 -10.448 4.389 0.333 1.00 0.21 O ATOM 0 H GLY A 100 -11.644 6.523 3.640 1.00 0.19 H new ATOM 0 HA2 GLY A 100 -11.758 4.306 2.996 1.00 0.18 H new ATOM 0 HA3 GLY A 100 -12.618 4.737 1.532 1.00 0.18 H new ATOM 675 N VAL A 101 -9.479 5.636 1.911 1.00 0.13 N ATOM 676 CA VAL A 101 -8.181 5.606 1.275 1.00 0.14 C ATOM 677 C VAL A 101 -7.186 4.835 2.129 1.00 0.12 C ATOM 678 O VAL A 101 -7.109 5.037 3.337 1.00 0.23 O ATOM 679 CB VAL A 101 -7.637 7.026 1.040 1.00 0.16 C ATOM 680 CG1 VAL A 101 -6.403 6.975 0.159 1.00 0.21 C ATOM 681 CG2 VAL A 101 -8.697 7.935 0.435 1.00 0.23 C ATOM 0 H VAL A 101 -9.526 6.203 2.758 1.00 0.13 H new ATOM 0 HA VAL A 101 -8.306 5.110 0.312 1.00 0.14 H new ATOM 0 HB VAL A 101 -7.360 7.447 2.007 1.00 0.16 H new ATOM 0 HG11 VAL A 101 -6.027 7.986 -0.000 1.00 0.21 H new ATOM 0 HG12 VAL A 101 -5.634 6.374 0.645 1.00 0.21 H new ATOM 0 HG13 VAL A 101 -6.660 6.528 -0.801 1.00 0.21 H new ATOM 0 HG21 VAL A 101 -8.279 8.930 0.282 1.00 0.23 H new ATOM 0 HG22 VAL A 101 -9.023 7.527 -0.522 1.00 0.23 H new ATOM 0 HG23 VAL A 101 -9.550 8.000 1.111 1.00 0.23 H new ATOM 691 N THR A 102 -6.448 3.946 1.505 1.00 0.10 N ATOM 692 CA THR A 102 -5.354 3.269 2.161 1.00 0.09 C ATOM 693 C THR A 102 -4.027 3.667 1.527 1.00 0.09 C ATOM 694 O THR A 102 -3.691 3.221 0.434 1.00 0.10 O ATOM 695 CB THR A 102 -5.503 1.744 2.078 1.00 0.10 C ATOM 696 OG1 THR A 102 -6.762 1.353 2.624 1.00 0.11 O ATOM 697 CG2 THR A 102 -4.387 1.058 2.847 1.00 0.12 C ATOM 0 H THR A 102 -6.588 3.673 0.532 1.00 0.10 H new ATOM 0 HA THR A 102 -5.373 3.568 3.209 1.00 0.09 H new ATOM 0 HB THR A 102 -5.447 1.446 1.031 1.00 0.10 H new ATOM 0 HG1 THR A 102 -6.616 0.762 3.392 1.00 0.11 H new ATOM 0 HG21 THR A 102 -4.508 -0.023 2.777 1.00 0.12 H new ATOM 0 HG22 THR A 102 -3.424 1.343 2.423 1.00 0.12 H new ATOM 0 HG23 THR A 102 -4.427 1.361 3.893 1.00 0.12 H new ATOM 705 N MET A 103 -3.276 4.514 2.206 1.00 0.10 N ATOM 706 CA MET A 103 -1.966 4.908 1.705 1.00 0.10 C ATOM 707 C MET A 103 -0.920 3.874 2.097 1.00 0.10 C ATOM 708 O MET A 103 -0.611 3.716 3.276 1.00 0.13 O ATOM 709 CB MET A 103 -1.545 6.285 2.216 1.00 0.12 C ATOM 710 CG MET A 103 -1.911 7.439 1.289 1.00 0.20 C ATOM 711 SD MET A 103 -3.660 7.817 1.280 1.00 1.26 S ATOM 712 CE MET A 103 -3.653 9.453 0.549 1.00 1.19 C ATOM 0 H MET A 103 -3.542 4.939 3.094 1.00 0.10 H new ATOM 0 HA MET A 103 -2.040 4.964 0.619 1.00 0.10 H new ATOM 0 HB2 MET A 103 -2.007 6.455 3.188 1.00 0.12 H new ATOM 0 HB3 MET A 103 -0.466 6.287 2.371 1.00 0.12 H new ATOM 0 HG2 MET A 103 -1.356 8.328 1.591 1.00 0.20 H new ATOM 0 HG3 MET A 103 -1.594 7.195 0.275 1.00 0.20 H new ATOM 0 HE1 MET A 103 -4.301 10.112 1.126 1.00 1.19 H new ATOM 0 HE2 MET A 103 -2.637 9.849 0.553 1.00 1.19 H new ATOM 0 HE3 MET A 103 -4.016 9.395 -0.477 1.00 1.19 H new ATOM 722 N ILE A 104 -0.391 3.150 1.122 1.00 0.08 N ATOM 723 CA ILE A 104 0.688 2.213 1.397 1.00 0.08 C ATOM 724 C ILE A 104 2.019 2.863 1.149 1.00 0.08 C ATOM 725 O ILE A 104 2.323 3.281 0.041 1.00 0.12 O ATOM 726 CB ILE A 104 0.615 0.912 0.566 1.00 0.08 C ATOM 727 CG1 ILE A 104 -0.464 -0.004 1.125 1.00 0.10 C ATOM 728 CG2 ILE A 104 1.964 0.190 0.549 1.00 0.10 C ATOM 729 CD1 ILE A 104 -1.845 0.313 0.616 1.00 0.10 C ATOM 0 H ILE A 104 -0.686 3.191 0.146 1.00 0.08 H new ATOM 0 HA ILE A 104 0.573 1.937 2.445 1.00 0.08 H new ATOM 0 HB ILE A 104 0.363 1.178 -0.460 1.00 0.08 H new ATOM 0 HG12 ILE A 104 -0.220 -1.036 0.872 1.00 0.10 H new ATOM 0 HG13 ILE A 104 -0.461 0.066 2.213 1.00 0.10 H new ATOM 0 HG21 ILE A 104 1.881 -0.721 -0.043 1.00 0.10 H new ATOM 0 HG22 ILE A 104 2.720 0.841 0.109 1.00 0.10 H new ATOM 0 HG23 ILE A 104 2.253 -0.065 1.569 1.00 0.10 H new ATOM 0 HD11 ILE A 104 -2.563 -0.379 1.056 1.00 0.10 H new ATOM 0 HD12 ILE A 104 -2.109 1.334 0.892 1.00 0.10 H new ATOM 0 HD13 ILE A 104 -1.864 0.214 -0.469 1.00 0.10 H new ATOM 741 N GLU A 105 2.803 2.952 2.186 1.00 0.09 N ATOM 742 CA GLU A 105 4.130 3.473 2.059 1.00 0.10 C ATOM 743 C GLU A 105 5.117 2.319 1.905 1.00 0.10 C ATOM 744 O GLU A 105 5.211 1.462 2.770 1.00 0.13 O ATOM 745 CB GLU A 105 4.453 4.339 3.271 1.00 0.13 C ATOM 746 CG GLU A 105 4.540 5.807 2.920 1.00 0.19 C ATOM 747 CD GLU A 105 4.372 6.730 4.112 1.00 0.35 C ATOM 748 OE1 GLU A 105 3.251 6.833 4.645 1.00 0.48 O ATOM 749 OE2 GLU A 105 5.378 7.324 4.549 1.00 0.45 O ATOM 0 H GLU A 105 2.543 2.669 3.131 1.00 0.09 H new ATOM 0 HA GLU A 105 4.208 4.099 1.170 1.00 0.10 H new ATOM 0 HB2 GLU A 105 3.687 4.195 4.033 1.00 0.13 H new ATOM 0 HB3 GLU A 105 5.399 4.015 3.705 1.00 0.13 H new ATOM 0 HG2 GLU A 105 5.505 6.003 2.453 1.00 0.19 H new ATOM 0 HG3 GLU A 105 3.774 6.041 2.180 1.00 0.19 H new ATOM 756 N LEU A 106 5.798 2.277 0.772 1.00 0.12 N ATOM 757 CA LEU A 106 6.797 1.259 0.491 1.00 0.12 C ATOM 758 C LEU A 106 8.005 1.887 -0.175 1.00 0.16 C ATOM 759 O LEU A 106 7.885 2.570 -1.187 1.00 0.19 O ATOM 760 CB LEU A 106 6.217 0.163 -0.412 1.00 0.12 C ATOM 761 CG LEU A 106 7.239 -0.860 -0.949 1.00 0.14 C ATOM 762 CD1 LEU A 106 6.559 -2.168 -1.253 1.00 0.17 C ATOM 763 CD2 LEU A 106 7.930 -0.369 -2.218 1.00 0.16 C ATOM 0 H LEU A 106 5.673 2.952 0.017 1.00 0.12 H new ATOM 0 HA LEU A 106 7.100 0.806 1.435 1.00 0.12 H new ATOM 0 HB2 LEU A 106 5.449 -0.374 0.144 1.00 0.12 H new ATOM 0 HB3 LEU A 106 5.723 0.638 -1.260 1.00 0.12 H new ATOM 0 HG LEU A 106 7.990 -0.992 -0.170 1.00 0.14 H new ATOM 0 HD11 LEU A 106 7.292 -2.880 -1.631 1.00 0.17 H new ATOM 0 HD12 LEU A 106 6.106 -2.562 -0.344 1.00 0.17 H new ATOM 0 HD13 LEU A 106 5.786 -2.010 -2.005 1.00 0.17 H new ATOM 0 HD21 LEU A 106 8.641 -1.122 -2.560 1.00 0.16 H new ATOM 0 HD22 LEU A 106 7.185 -0.195 -2.994 1.00 0.16 H new ATOM 0 HD23 LEU A 106 8.459 0.561 -2.008 1.00 0.16 H new ATOM 775 N PRO A 107 9.190 1.658 0.370 1.00 0.17 N ATOM 776 CA PRO A 107 10.422 2.195 -0.179 1.00 0.21 C ATOM 777 C PRO A 107 10.904 1.376 -1.364 1.00 0.25 C ATOM 778 O PRO A 107 10.739 0.164 -1.397 1.00 0.20 O ATOM 779 CB PRO A 107 11.383 2.059 0.989 1.00 0.23 C ATOM 780 CG PRO A 107 10.925 0.826 1.677 1.00 0.21 C ATOM 781 CD PRO A 107 9.431 0.822 1.552 1.00 0.17 C ATOM 0 HA PRO A 107 10.318 3.213 -0.553 1.00 0.21 H new ATOM 0 HB2 PRO A 107 12.415 1.969 0.650 1.00 0.23 H new ATOM 0 HB3 PRO A 107 11.338 2.926 1.648 1.00 0.23 H new ATOM 0 HG2 PRO A 107 11.359 -0.062 1.218 1.00 0.21 H new ATOM 0 HG3 PRO A 107 11.230 0.825 2.723 1.00 0.21 H new ATOM 0 HD2 PRO A 107 9.041 -0.187 1.418 1.00 0.17 H new ATOM 0 HD3 PRO A 107 8.952 1.233 2.440 1.00 0.17 H new ATOM 789 N LYS A 108 11.522 2.023 -2.330 1.00 0.40 N ATOM 790 CA LYS A 108 12.042 1.308 -3.488 1.00 0.47 C ATOM 791 C LYS A 108 13.216 0.435 -3.079 1.00 0.50 C ATOM 792 O LYS A 108 13.740 -0.346 -3.871 1.00 0.59 O ATOM 793 CB LYS A 108 12.469 2.289 -4.566 1.00 0.62 C ATOM 794 CG LYS A 108 11.393 3.303 -4.888 1.00 0.69 C ATOM 795 CD LYS A 108 11.833 4.698 -4.470 1.00 0.99 C ATOM 796 CE LYS A 108 10.786 5.746 -4.793 1.00 0.68 C ATOM 797 NZ LYS A 108 10.460 5.786 -6.245 1.00 1.10 N ATOM 0 H LYS A 108 11.678 3.031 -2.342 1.00 0.40 H new ATOM 0 HA LYS A 108 11.253 0.672 -3.889 1.00 0.47 H new ATOM 0 HB2 LYS A 108 13.369 2.811 -4.242 1.00 0.62 H new ATOM 0 HB3 LYS A 108 12.728 1.739 -5.471 1.00 0.62 H new ATOM 0 HG2 LYS A 108 11.179 3.288 -5.957 1.00 0.69 H new ATOM 0 HG3 LYS A 108 10.469 3.037 -4.374 1.00 0.69 H new ATOM 0 HD2 LYS A 108 12.037 4.708 -3.399 1.00 0.99 H new ATOM 0 HD3 LYS A 108 12.766 4.950 -4.975 1.00 0.99 H new ATOM 0 HE2 LYS A 108 9.879 5.539 -4.224 1.00 0.68 H new ATOM 0 HE3 LYS A 108 11.144 6.725 -4.476 1.00 0.68 H new ATOM 0 HZ1 LYS A 108 9.902 6.639 -6.452 1.00 1.10 H new ATOM 0 HZ2 LYS A 108 11.341 5.806 -6.798 1.00 1.10 H new ATOM 0 HZ3 LYS A 108 9.910 4.941 -6.501 1.00 1.10 H new ATOM 811 N THR A 109 13.615 0.581 -1.827 1.00 0.47 N ATOM 812 CA THR A 109 14.699 -0.197 -1.273 1.00 0.53 C ATOM 813 C THR A 109 14.223 -1.582 -0.826 1.00 0.46 C ATOM 814 O THR A 109 15.023 -2.411 -0.387 1.00 0.53 O ATOM 815 CB THR A 109 15.339 0.557 -0.105 1.00 0.62 C ATOM 816 OG1 THR A 109 14.351 0.843 0.893 1.00 0.61 O ATOM 817 CG2 THR A 109 15.948 1.858 -0.600 1.00 0.72 C ATOM 0 H THR A 109 13.196 1.241 -1.172 1.00 0.47 H new ATOM 0 HA THR A 109 15.446 -0.344 -2.053 1.00 0.53 H new ATOM 0 HB THR A 109 16.121 -0.066 0.329 1.00 0.62 H new ATOM 0 HG1 THR A 109 14.526 1.725 1.283 1.00 0.61 H new ATOM 0 HG21 THR A 109 16.402 2.389 0.237 1.00 0.72 H new ATOM 0 HG22 THR A 109 16.710 1.641 -1.348 1.00 0.72 H new ATOM 0 HG23 THR A 109 15.170 2.478 -1.044 1.00 0.72 H new ATOM 825 N VAL A 110 12.916 -1.832 -0.926 1.00 0.34 N ATOM 826 CA VAL A 110 12.393 -3.177 -0.733 1.00 0.28 C ATOM 827 C VAL A 110 12.855 -4.069 -1.878 1.00 0.25 C ATOM 828 O VAL A 110 13.261 -3.573 -2.933 1.00 0.28 O ATOM 829 CB VAL A 110 10.851 -3.233 -0.673 1.00 0.21 C ATOM 830 CG1 VAL A 110 10.286 -2.196 0.277 1.00 0.21 C ATOM 831 CG2 VAL A 110 10.252 -3.080 -2.052 1.00 0.17 C ATOM 0 H VAL A 110 12.211 -1.126 -1.137 1.00 0.34 H new ATOM 0 HA VAL A 110 12.775 -3.520 0.228 1.00 0.28 H new ATOM 0 HB VAL A 110 10.577 -4.214 -0.285 1.00 0.21 H new ATOM 0 HG11 VAL A 110 9.199 -2.269 0.290 1.00 0.21 H new ATOM 0 HG12 VAL A 110 10.674 -2.372 1.280 1.00 0.21 H new ATOM 0 HG13 VAL A 110 10.579 -1.200 -0.055 1.00 0.21 H new ATOM 0 HG21 VAL A 110 9.165 -3.123 -1.983 1.00 0.17 H new ATOM 0 HG22 VAL A 110 10.551 -2.121 -2.474 1.00 0.17 H new ATOM 0 HG23 VAL A 110 10.607 -3.886 -2.694 1.00 0.17 H new ATOM 841 N SER A 111 12.808 -5.370 -1.675 1.00 0.24 N ATOM 842 CA SER A 111 13.081 -6.298 -2.754 1.00 0.22 C ATOM 843 C SER A 111 12.032 -6.110 -3.846 1.00 0.17 C ATOM 844 O SER A 111 10.909 -5.705 -3.556 1.00 0.18 O ATOM 845 CB SER A 111 13.042 -7.728 -2.223 1.00 0.27 C ATOM 846 OG SER A 111 13.901 -7.871 -1.104 1.00 0.96 O ATOM 0 H SER A 111 12.585 -5.806 -0.780 1.00 0.24 H new ATOM 0 HA SER A 111 14.071 -6.107 -3.168 1.00 0.22 H new ATOM 0 HB2 SER A 111 12.022 -7.988 -1.940 1.00 0.27 H new ATOM 0 HB3 SER A 111 13.342 -8.421 -3.009 1.00 0.27 H new ATOM 0 HG SER A 111 13.861 -8.794 -0.777 1.00 0.96 H new ATOM 852 N GLU A 112 12.385 -6.390 -5.092 1.00 0.21 N ATOM 853 CA GLU A 112 11.438 -6.235 -6.193 1.00 0.26 C ATOM 854 C GLU A 112 10.206 -7.102 -5.945 1.00 0.24 C ATOM 855 O GLU A 112 9.104 -6.757 -6.353 1.00 0.28 O ATOM 856 CB GLU A 112 12.101 -6.603 -7.521 1.00 0.35 C ATOM 857 CG GLU A 112 11.221 -6.369 -8.735 1.00 0.46 C ATOM 858 CD GLU A 112 11.935 -6.686 -10.027 1.00 0.63 C ATOM 859 OE1 GLU A 112 12.708 -5.831 -10.505 1.00 1.03 O ATOM 860 OE2 GLU A 112 11.737 -7.795 -10.569 1.00 0.80 O ATOM 0 H GLU A 112 13.309 -6.722 -5.367 1.00 0.21 H new ATOM 0 HA GLU A 112 11.125 -5.192 -6.248 1.00 0.26 H new ATOM 0 HB2 GLU A 112 13.017 -6.022 -7.631 1.00 0.35 H new ATOM 0 HB3 GLU A 112 12.391 -7.653 -7.492 1.00 0.35 H new ATOM 0 HG2 GLU A 112 10.325 -6.985 -8.656 1.00 0.46 H new ATOM 0 HG3 GLU A 112 10.893 -5.330 -8.749 1.00 0.46 H new ATOM 867 N HIS A 113 10.410 -8.219 -5.253 1.00 0.23 N ATOM 868 CA HIS A 113 9.308 -9.051 -4.767 1.00 0.27 C ATOM 869 C HIS A 113 8.311 -8.213 -3.986 1.00 0.25 C ATOM 870 O HIS A 113 7.108 -8.246 -4.228 1.00 0.41 O ATOM 871 CB HIS A 113 9.833 -10.133 -3.830 1.00 0.32 C ATOM 872 CG HIS A 113 10.331 -11.371 -4.505 1.00 0.40 C ATOM 873 ND1 HIS A 113 10.365 -12.596 -3.875 1.00 0.71 N ATOM 874 CD2 HIS A 113 10.822 -11.576 -5.749 1.00 0.46 C ATOM 875 CE1 HIS A 113 10.854 -13.499 -4.701 1.00 0.73 C ATOM 876 NE2 HIS A 113 11.139 -12.907 -5.845 1.00 0.55 N ATOM 0 H HIS A 113 11.336 -8.573 -5.013 1.00 0.23 H new ATOM 0 HA HIS A 113 8.827 -9.499 -5.637 1.00 0.27 H new ATOM 0 HB2 HIS A 113 10.642 -9.713 -3.233 1.00 0.32 H new ATOM 0 HB3 HIS A 113 9.037 -10.410 -3.138 1.00 0.32 H new ATOM 0 HD2 HIS A 113 10.942 -10.831 -6.522 1.00 0.46 H new ATOM 0 HE1 HIS A 113 10.997 -14.546 -4.479 1.00 0.73 H new ATOM 0 HE2 HIS A 113 11.531 -13.365 -6.668 1.00 0.55 H new ATOM 885 N ASP A 114 8.839 -7.456 -3.046 1.00 0.23 N ATOM 886 CA ASP A 114 8.027 -6.682 -2.131 1.00 0.26 C ATOM 887 C ASP A 114 7.478 -5.449 -2.829 1.00 0.25 C ATOM 888 O ASP A 114 6.405 -4.956 -2.496 1.00 0.33 O ATOM 889 CB ASP A 114 8.863 -6.290 -0.903 1.00 0.31 C ATOM 890 CG ASP A 114 9.412 -7.499 -0.166 1.00 1.20 C ATOM 891 OD1 ASP A 114 8.621 -8.183 0.520 1.00 1.13 O ATOM 892 OD2 ASP A 114 10.628 -7.763 -0.257 1.00 2.05 O ATOM 0 H ASP A 114 9.843 -7.360 -2.895 1.00 0.23 H new ATOM 0 HA ASP A 114 7.182 -7.286 -1.799 1.00 0.26 H new ATOM 0 HB2 ASP A 114 9.690 -5.654 -1.218 1.00 0.31 H new ATOM 0 HB3 ASP A 114 8.249 -5.701 -0.222 1.00 0.31 H new ATOM 897 N MET A 115 8.202 -4.971 -3.827 1.00 0.23 N ATOM 898 CA MET A 115 7.811 -3.761 -4.531 1.00 0.23 C ATOM 899 C MET A 115 6.800 -4.062 -5.628 1.00 0.24 C ATOM 900 O MET A 115 5.882 -3.287 -5.866 1.00 0.47 O ATOM 901 CB MET A 115 9.040 -3.076 -5.119 1.00 0.20 C ATOM 902 CG MET A 115 8.744 -1.744 -5.777 1.00 0.22 C ATOM 903 SD MET A 115 10.216 -0.978 -6.482 1.00 0.22 S ATOM 904 CE MET A 115 9.510 0.527 -7.142 1.00 1.62 C ATOM 0 H MET A 115 9.062 -5.401 -4.168 1.00 0.23 H new ATOM 0 HA MET A 115 7.337 -3.091 -3.814 1.00 0.23 H new ATOM 0 HB2 MET A 115 9.773 -2.924 -4.327 1.00 0.20 H new ATOM 0 HB3 MET A 115 9.497 -3.739 -5.853 1.00 0.20 H new ATOM 0 HG2 MET A 115 8.002 -1.888 -6.562 1.00 0.22 H new ATOM 0 HG3 MET A 115 8.304 -1.070 -5.042 1.00 0.22 H new ATOM 0 HE1 MET A 115 10.293 1.119 -7.615 1.00 1.62 H new ATOM 0 HE2 MET A 115 8.747 0.278 -7.880 1.00 1.62 H new ATOM 0 HE3 MET A 115 9.059 1.102 -6.334 1.00 1.62 H new ATOM 914 N ASP A 116 6.972 -5.177 -6.305 1.00 0.15 N ATOM 915 CA ASP A 116 6.045 -5.563 -7.356 1.00 0.18 C ATOM 916 C ASP A 116 4.901 -6.376 -6.787 1.00 0.19 C ATOM 917 O ASP A 116 3.764 -5.918 -6.774 1.00 0.24 O ATOM 918 CB ASP A 116 6.747 -6.357 -8.460 1.00 0.23 C ATOM 919 CG ASP A 116 5.823 -6.675 -9.628 1.00 0.42 C ATOM 920 OD1 ASP A 116 5.001 -7.611 -9.510 1.00 0.64 O ATOM 921 OD2 ASP A 116 5.915 -6.000 -10.670 1.00 0.61 O ATOM 0 H ASP A 116 7.739 -5.831 -6.151 1.00 0.15 H new ATOM 0 HA ASP A 116 5.649 -4.646 -7.794 1.00 0.18 H new ATOM 0 HB2 ASP A 116 7.604 -5.789 -8.823 1.00 0.23 H new ATOM 0 HB3 ASP A 116 7.134 -7.287 -8.044 1.00 0.23 H new ATOM 926 N GLN A 117 5.216 -7.562 -6.284 1.00 0.17 N ATOM 927 CA GLN A 117 4.201 -8.520 -5.858 1.00 0.18 C ATOM 928 C GLN A 117 3.358 -8.010 -4.692 1.00 0.15 C ATOM 929 O GLN A 117 2.163 -8.286 -4.636 1.00 0.17 O ATOM 930 CB GLN A 117 4.834 -9.866 -5.490 1.00 0.23 C ATOM 931 CG GLN A 117 5.249 -10.712 -6.691 1.00 0.96 C ATOM 932 CD GLN A 117 6.394 -10.114 -7.491 1.00 1.67 C ATOM 933 OE1 GLN A 117 7.259 -9.428 -6.951 1.00 2.42 O ATOM 934 NE2 GLN A 117 6.407 -10.374 -8.786 1.00 2.30 N ATOM 0 H GLN A 117 6.175 -7.887 -6.160 1.00 0.17 H new ATOM 0 HA GLN A 117 3.535 -8.654 -6.710 1.00 0.18 H new ATOM 0 HB2 GLN A 117 5.710 -9.685 -4.868 1.00 0.23 H new ATOM 0 HB3 GLN A 117 4.126 -10.435 -4.886 1.00 0.23 H new ATOM 0 HG2 GLN A 117 5.539 -11.704 -6.343 1.00 0.96 H new ATOM 0 HG3 GLN A 117 4.388 -10.843 -7.347 1.00 0.96 H new ATOM 0 HE21 GLN A 117 5.671 -10.948 -9.198 1.00 2.30 H new ATOM 0 HE22 GLN A 117 7.153 -10.001 -9.374 1.00 2.30 H new ATOM 943 N LEU A 118 3.953 -7.268 -3.766 1.00 0.14 N ATOM 944 CA LEU A 118 3.191 -6.776 -2.621 1.00 0.13 C ATOM 945 C LEU A 118 2.326 -5.581 -2.990 1.00 0.12 C ATOM 946 O LEU A 118 1.193 -5.468 -2.527 1.00 0.13 O ATOM 947 CB LEU A 118 4.091 -6.440 -1.439 1.00 0.12 C ATOM 948 CG LEU A 118 4.610 -7.660 -0.670 1.00 0.15 C ATOM 949 CD1 LEU A 118 5.550 -7.237 0.441 1.00 0.18 C ATOM 950 CD2 LEU A 118 3.452 -8.462 -0.092 1.00 0.16 C ATOM 0 H LEU A 118 4.936 -6.998 -3.781 1.00 0.14 H new ATOM 0 HA LEU A 118 2.531 -7.589 -2.317 1.00 0.13 H new ATOM 0 HB2 LEU A 118 4.943 -5.864 -1.799 1.00 0.12 H new ATOM 0 HB3 LEU A 118 3.541 -5.799 -0.750 1.00 0.12 H new ATOM 0 HG LEU A 118 5.159 -8.289 -1.371 1.00 0.15 H new ATOM 0 HD11 LEU A 118 5.905 -8.120 0.973 1.00 0.18 H new ATOM 0 HD12 LEU A 118 6.400 -6.703 0.015 1.00 0.18 H new ATOM 0 HD13 LEU A 118 5.022 -6.583 1.135 1.00 0.18 H new ATOM 0 HD21 LEU A 118 3.841 -9.324 0.450 1.00 0.16 H new ATOM 0 HD22 LEU A 118 2.878 -7.834 0.589 1.00 0.16 H new ATOM 0 HD23 LEU A 118 2.806 -8.804 -0.901 1.00 0.16 H new ATOM 962 N LEU A 119 2.835 -4.697 -3.837 1.00 0.13 N ATOM 963 CA LEU A 119 2.019 -3.591 -4.332 1.00 0.13 C ATOM 964 C LEU A 119 1.020 -4.124 -5.344 1.00 0.13 C ATOM 965 O LEU A 119 0.064 -3.456 -5.721 1.00 0.14 O ATOM 966 CB LEU A 119 2.881 -2.495 -4.961 1.00 0.14 C ATOM 967 CG LEU A 119 3.998 -1.953 -4.065 1.00 0.11 C ATOM 968 CD1 LEU A 119 4.571 -0.671 -4.644 1.00 0.12 C ATOM 969 CD2 LEU A 119 3.498 -1.740 -2.642 1.00 0.17 C ATOM 0 H LEU A 119 3.791 -4.720 -4.192 1.00 0.13 H new ATOM 0 HA LEU A 119 1.490 -3.145 -3.490 1.00 0.13 H new ATOM 0 HB2 LEU A 119 3.327 -2.885 -5.876 1.00 0.14 H new ATOM 0 HB3 LEU A 119 2.234 -1.667 -5.250 1.00 0.14 H new ATOM 0 HG LEU A 119 4.797 -2.693 -4.027 1.00 0.11 H new ATOM 0 HD11 LEU A 119 5.363 -0.300 -3.994 1.00 0.12 H new ATOM 0 HD12 LEU A 119 4.978 -0.870 -5.635 1.00 0.12 H new ATOM 0 HD13 LEU A 119 3.783 0.078 -4.719 1.00 0.12 H new ATOM 0 HD21 LEU A 119 4.310 -1.355 -2.025 1.00 0.17 H new ATOM 0 HD22 LEU A 119 2.676 -1.024 -2.649 1.00 0.17 H new ATOM 0 HD23 LEU A 119 3.150 -2.688 -2.233 1.00 0.17 H new ATOM 981 N HIS A 120 1.268 -5.344 -5.777 1.00 0.13 N ATOM 982 CA HIS A 120 0.380 -6.044 -6.680 1.00 0.13 C ATOM 983 C HIS A 120 -0.658 -6.821 -5.889 1.00 0.13 C ATOM 984 O HIS A 120 -1.722 -7.132 -6.404 1.00 0.14 O ATOM 985 CB HIS A 120 1.193 -6.996 -7.534 1.00 0.14 C ATOM 986 CG HIS A 120 0.511 -7.496 -8.772 1.00 0.21 C ATOM 987 ND1 HIS A 120 0.889 -7.108 -10.038 1.00 0.30 N ATOM 988 CD2 HIS A 120 -0.498 -8.383 -8.940 1.00 0.25 C ATOM 989 CE1 HIS A 120 0.146 -7.736 -10.928 1.00 0.37 C ATOM 990 NE2 HIS A 120 -0.701 -8.513 -10.287 1.00 0.34 N ATOM 0 H HIS A 120 2.095 -5.879 -5.511 1.00 0.13 H new ATOM 0 HA HIS A 120 -0.132 -5.324 -7.318 1.00 0.13 H new ATOM 0 HB2 HIS A 120 2.117 -6.496 -7.826 1.00 0.14 H new ATOM 0 HB3 HIS A 120 1.474 -7.854 -6.923 1.00 0.14 H new ATOM 0 HD2 HIS A 120 -1.041 -8.892 -8.158 1.00 0.25 H new ATOM 0 HE1 HIS A 120 0.220 -7.631 -12.000 1.00 0.37 H new ATOM 0 HE2 HIS A 120 -1.398 -9.116 -10.725 1.00 0.34 H new ATOM 999 N ASP A 121 -0.333 -7.146 -4.637 1.00 0.12 N ATOM 1000 CA ASP A 121 -1.296 -7.791 -3.743 1.00 0.12 C ATOM 1001 C ASP A 121 -2.404 -6.798 -3.498 1.00 0.11 C ATOM 1002 O ASP A 121 -3.557 -7.144 -3.242 1.00 0.13 O ATOM 1003 CB ASP A 121 -0.657 -8.184 -2.404 1.00 0.14 C ATOM 1004 CG ASP A 121 -1.479 -9.208 -1.641 1.00 0.23 C ATOM 1005 OD1 ASP A 121 -2.051 -10.117 -2.279 1.00 0.42 O ATOM 1006 OD2 ASP A 121 -1.529 -9.125 -0.395 1.00 0.42 O ATOM 0 H ASP A 121 0.583 -6.975 -4.221 1.00 0.12 H new ATOM 0 HA ASP A 121 -1.665 -8.707 -4.204 1.00 0.12 H new ATOM 0 HB2 ASP A 121 0.340 -8.587 -2.586 1.00 0.14 H new ATOM 0 HB3 ASP A 121 -0.533 -7.292 -1.789 1.00 0.14 H new ATOM 1011 N ILE A 122 -2.006 -5.541 -3.595 1.00 0.10 N ATOM 1012 CA ILE A 122 -2.918 -4.431 -3.586 1.00 0.10 C ATOM 1013 C ILE A 122 -3.914 -4.575 -4.727 1.00 0.10 C ATOM 1014 O ILE A 122 -5.126 -4.603 -4.515 1.00 0.11 O ATOM 1015 CB ILE A 122 -2.143 -3.104 -3.714 1.00 0.10 C ATOM 1016 CG1 ILE A 122 -1.139 -3.005 -2.570 1.00 0.10 C ATOM 1017 CG2 ILE A 122 -3.093 -1.926 -3.721 1.00 0.11 C ATOM 1018 CD1 ILE A 122 -0.431 -1.677 -2.473 1.00 0.10 C ATOM 0 H ILE A 122 -1.027 -5.269 -3.683 1.00 0.10 H new ATOM 0 HA ILE A 122 -3.461 -4.423 -2.641 1.00 0.10 H new ATOM 0 HB ILE A 122 -1.603 -3.084 -4.661 1.00 0.10 H new ATOM 0 HG12 ILE A 122 -1.658 -3.195 -1.630 1.00 0.10 H new ATOM 0 HG13 ILE A 122 -0.394 -3.792 -2.688 1.00 0.10 H new ATOM 0 HG21 ILE A 122 -2.524 -1.001 -3.812 1.00 0.11 H new ATOM 0 HG22 ILE A 122 -3.778 -2.016 -4.564 1.00 0.11 H new ATOM 0 HG23 ILE A 122 -3.662 -1.912 -2.792 1.00 0.11 H new ATOM 0 HD11 ILE A 122 0.263 -1.695 -1.633 1.00 0.10 H new ATOM 0 HD12 ILE A 122 0.120 -1.490 -3.395 1.00 0.10 H new ATOM 0 HD13 ILE A 122 -1.164 -0.884 -2.321 1.00 0.10 H new ATOM 1030 N LEU A 123 -3.382 -4.713 -5.929 1.00 0.11 N ATOM 1031 CA LEU A 123 -4.191 -4.884 -7.128 1.00 0.12 C ATOM 1032 C LEU A 123 -4.946 -6.208 -7.101 1.00 0.13 C ATOM 1033 O LEU A 123 -6.024 -6.327 -7.676 1.00 0.14 O ATOM 1034 CB LEU A 123 -3.303 -4.828 -8.373 1.00 0.14 C ATOM 1035 CG LEU A 123 -2.982 -3.431 -8.921 1.00 0.15 C ATOM 1036 CD1 LEU A 123 -2.288 -2.574 -7.874 1.00 0.16 C ATOM 1037 CD2 LEU A 123 -2.117 -3.545 -10.166 1.00 0.20 C ATOM 0 H LEU A 123 -2.377 -4.710 -6.104 1.00 0.11 H new ATOM 0 HA LEU A 123 -4.918 -4.073 -7.159 1.00 0.12 H new ATOM 0 HB2 LEU A 123 -2.363 -5.330 -8.144 1.00 0.14 H new ATOM 0 HB3 LEU A 123 -3.787 -5.402 -9.163 1.00 0.14 H new ATOM 0 HG LEU A 123 -3.922 -2.945 -9.182 1.00 0.15 H new ATOM 0 HD11 LEU A 123 -2.074 -1.591 -8.293 1.00 0.16 H new ATOM 0 HD12 LEU A 123 -2.937 -2.465 -7.005 1.00 0.16 H new ATOM 0 HD13 LEU A 123 -1.355 -3.051 -7.573 1.00 0.16 H new ATOM 0 HD21 LEU A 123 -1.895 -2.548 -10.547 1.00 0.20 H new ATOM 0 HD22 LEU A 123 -1.186 -4.054 -9.917 1.00 0.20 H new ATOM 0 HD23 LEU A 123 -2.649 -4.114 -10.928 1.00 0.20 H new ATOM 1049 N ALA A 124 -4.369 -7.197 -6.433 1.00 0.14 N ATOM 1050 CA ALA A 124 -5.005 -8.499 -6.267 1.00 0.16 C ATOM 1051 C ALA A 124 -6.294 -8.359 -5.476 1.00 0.17 C ATOM 1052 O ALA A 124 -7.164 -9.230 -5.508 1.00 0.23 O ATOM 1053 CB ALA A 124 -4.060 -9.458 -5.563 1.00 0.17 C ATOM 0 H ALA A 124 -3.452 -7.122 -5.993 1.00 0.14 H new ATOM 0 HA ALA A 124 -5.242 -8.900 -7.253 1.00 0.16 H new ATOM 0 HB1 ALA A 124 -4.546 -10.426 -5.445 1.00 0.17 H new ATOM 0 HB2 ALA A 124 -3.154 -9.577 -6.157 1.00 0.17 H new ATOM 0 HB3 ALA A 124 -3.802 -9.060 -4.582 1.00 0.17 H new ATOM 1059 N ALA A 125 -6.403 -7.245 -4.781 1.00 0.13 N ATOM 1060 CA ALA A 125 -7.563 -6.941 -3.978 1.00 0.14 C ATOM 1061 C ALA A 125 -8.430 -5.912 -4.678 1.00 0.14 C ATOM 1062 O ALA A 125 -9.434 -5.449 -4.140 1.00 0.20 O ATOM 1063 CB ALA A 125 -7.108 -6.425 -2.632 1.00 0.15 C ATOM 0 H ALA A 125 -5.683 -6.523 -4.759 1.00 0.13 H new ATOM 0 HA ALA A 125 -8.158 -7.843 -3.836 1.00 0.14 H new ATOM 0 HB1 ALA A 125 -7.978 -6.193 -2.018 1.00 0.15 H new ATOM 0 HB2 ALA A 125 -6.506 -7.186 -2.135 1.00 0.15 H new ATOM 0 HB3 ALA A 125 -6.511 -5.524 -2.771 1.00 0.15 H new ATOM 1069 N GLY A 126 -8.020 -5.549 -5.883 1.00 0.13 N ATOM 1070 CA GLY A 126 -8.699 -4.511 -6.618 1.00 0.16 C ATOM 1071 C GLY A 126 -8.148 -3.150 -6.276 1.00 0.15 C ATOM 1072 O GLY A 126 -8.461 -2.157 -6.930 1.00 0.21 O ATOM 0 H GLY A 126 -7.222 -5.961 -6.366 1.00 0.13 H new ATOM 0 HA2 GLY A 126 -8.593 -4.691 -7.688 1.00 0.16 H new ATOM 0 HA3 GLY A 126 -9.765 -4.541 -6.394 1.00 0.16 H new ATOM 1076 N GLY A 127 -7.307 -3.122 -5.248 1.00 0.15 N ATOM 1077 CA GLY A 127 -6.747 -1.886 -4.754 1.00 0.16 C ATOM 1078 C GLY A 127 -5.906 -1.171 -5.788 1.00 0.19 C ATOM 1079 O GLY A 127 -5.030 -1.765 -6.413 1.00 0.35 O ATOM 0 H GLY A 127 -7.001 -3.953 -4.742 1.00 0.15 H new ATOM 0 HA2 GLY A 127 -7.555 -1.229 -4.432 1.00 0.16 H new ATOM 0 HA3 GLY A 127 -6.136 -2.094 -3.876 1.00 0.16 H new ATOM 1083 N VAL A 128 -6.178 0.108 -5.957 1.00 0.16 N ATOM 1084 CA VAL A 128 -5.497 0.919 -6.951 1.00 0.22 C ATOM 1085 C VAL A 128 -4.424 1.786 -6.304 1.00 0.18 C ATOM 1086 O VAL A 128 -4.672 2.428 -5.289 1.00 0.36 O ATOM 1087 CB VAL A 128 -6.505 1.807 -7.702 1.00 0.40 C ATOM 1088 CG1 VAL A 128 -7.322 0.966 -8.669 1.00 1.05 C ATOM 1089 CG2 VAL A 128 -7.421 2.532 -6.724 1.00 0.64 C ATOM 0 H VAL A 128 -6.875 0.615 -5.411 1.00 0.16 H new ATOM 0 HA VAL A 128 -5.017 0.246 -7.662 1.00 0.22 H new ATOM 0 HB VAL A 128 -5.951 2.556 -8.267 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -8.032 1.604 -9.195 1.00 1.05 H new ATOM 0 HG12 VAL A 128 -6.657 0.491 -9.390 1.00 1.05 H new ATOM 0 HG13 VAL A 128 -7.864 0.199 -8.116 1.00 1.05 H new ATOM 0 HG21 VAL A 128 -8.125 3.154 -7.277 1.00 0.64 H new ATOM 0 HG22 VAL A 128 -7.971 1.801 -6.131 1.00 0.64 H new ATOM 0 HG23 VAL A 128 -6.824 3.160 -6.063 1.00 0.64 H new ATOM 1099 N VAL A 129 -3.243 1.822 -6.908 1.00 0.21 N ATOM 1100 CA VAL A 129 -2.093 2.496 -6.306 1.00 0.20 C ATOM 1101 C VAL A 129 -1.793 3.831 -6.992 1.00 0.23 C ATOM 1102 O VAL A 129 -1.977 3.971 -8.205 1.00 0.32 O ATOM 1103 CB VAL A 129 -0.835 1.598 -6.353 1.00 0.24 C ATOM 1104 CG1 VAL A 129 -1.072 0.320 -5.564 1.00 0.21 C ATOM 1105 CG2 VAL A 129 -0.444 1.268 -7.788 1.00 0.31 C ATOM 0 H VAL A 129 -3.053 1.393 -7.814 1.00 0.21 H new ATOM 0 HA VAL A 129 -2.354 2.694 -5.266 1.00 0.20 H new ATOM 0 HB VAL A 129 -0.011 2.149 -5.899 1.00 0.24 H new ATOM 0 HG11 VAL A 129 -0.179 -0.304 -5.605 1.00 0.21 H new ATOM 0 HG12 VAL A 129 -1.294 0.569 -4.526 1.00 0.21 H new ATOM 0 HG13 VAL A 129 -1.914 -0.223 -5.995 1.00 0.21 H new ATOM 0 HG21 VAL A 129 0.444 0.636 -7.787 1.00 0.31 H new ATOM 0 HG22 VAL A 129 -1.264 0.742 -8.277 1.00 0.31 H new ATOM 0 HG23 VAL A 129 -0.232 2.190 -8.329 1.00 0.31 H new ATOM 1115 N GLY A 130 -1.345 4.815 -6.214 1.00 0.35 N ATOM 1116 CA GLY A 130 -1.020 6.120 -6.773 1.00 0.36 C ATOM 1117 C GLY A 130 0.355 6.618 -6.354 1.00 0.44 C ATOM 1118 O GLY A 130 1.112 5.896 -5.709 1.00 0.85 O ATOM 0 H GLY A 130 -1.201 4.733 -5.208 1.00 0.35 H new ATOM 0 HA2 GLY A 130 -1.065 6.065 -7.861 1.00 0.36 H new ATOM 0 HA3 GLY A 130 -1.774 6.842 -6.459 1.00 0.36 H new ATOM 1122 N LEU A 131 0.677 7.854 -6.728 1.00 0.32 N ATOM 1123 CA LEU A 131 1.963 8.464 -6.388 1.00 0.33 C ATOM 1124 C LEU A 131 1.752 9.636 -5.438 1.00 0.32 C ATOM 1125 O LEU A 131 1.607 10.782 -5.864 1.00 0.45 O ATOM 1126 CB LEU A 131 2.713 8.939 -7.646 1.00 0.37 C ATOM 1127 CG LEU A 131 3.203 7.837 -8.601 1.00 0.46 C ATOM 1128 CD1 LEU A 131 3.905 6.725 -7.834 1.00 0.97 C ATOM 1129 CD2 LEU A 131 2.058 7.281 -9.434 1.00 1.17 C ATOM 0 H LEU A 131 0.060 8.458 -7.271 1.00 0.32 H new ATOM 0 HA LEU A 131 2.572 7.704 -5.899 1.00 0.33 H new ATOM 0 HB2 LEU A 131 2.058 9.609 -8.203 1.00 0.37 H new ATOM 0 HB3 LEU A 131 3.575 9.526 -7.330 1.00 0.37 H new ATOM 0 HG LEU A 131 3.925 8.286 -9.283 1.00 0.46 H new ATOM 0 HD11 LEU A 131 4.242 5.958 -8.532 1.00 0.97 H new ATOM 0 HD12 LEU A 131 4.764 7.135 -7.303 1.00 0.97 H new ATOM 0 HD13 LEU A 131 3.212 6.284 -7.117 1.00 0.97 H new ATOM 0 HD21 LEU A 131 2.436 6.504 -10.099 1.00 1.17 H new ATOM 0 HD22 LEU A 131 1.301 6.857 -8.775 1.00 1.17 H new ATOM 0 HD23 LEU A 131 1.616 8.082 -10.026 1.00 1.17 H new ATOM 1141 N ASP A 132 1.702 9.328 -4.155 1.00 0.24 N ATOM 1142 CA ASP A 132 1.523 10.333 -3.116 1.00 0.23 C ATOM 1143 C ASP A 132 2.844 10.947 -2.747 1.00 0.39 C ATOM 1144 O ASP A 132 3.040 12.159 -2.831 1.00 0.90 O ATOM 1145 CB ASP A 132 0.894 9.696 -1.884 1.00 0.25 C ATOM 1146 CG ASP A 132 -0.531 9.296 -2.144 1.00 0.65 C ATOM 1147 OD1 ASP A 132 -0.741 8.335 -2.906 1.00 1.06 O ATOM 1148 OD2 ASP A 132 -1.444 9.964 -1.622 1.00 0.98 O ATOM 0 H ASP A 132 1.784 8.375 -3.801 1.00 0.24 H new ATOM 0 HA ASP A 132 0.865 11.114 -3.497 1.00 0.23 H new ATOM 0 HB2 ASP A 132 1.472 8.820 -1.590 1.00 0.25 H new ATOM 0 HB3 ASP A 132 0.931 10.397 -1.050 1.00 0.25 H new ATOM 1153 N SER A 133 3.753 10.097 -2.346 1.00 0.55 N ATOM 1154 CA SER A 133 5.033 10.539 -1.870 1.00 0.69 C ATOM 1155 C SER A 133 6.066 9.486 -2.187 1.00 0.56 C ATOM 1156 O SER A 133 5.832 8.316 -1.950 1.00 0.87 O ATOM 1157 CB SER A 133 4.960 10.754 -0.357 1.00 0.95 C ATOM 1158 OG SER A 133 3.679 11.226 0.036 1.00 1.30 O ATOM 0 H SER A 133 3.626 9.085 -2.341 1.00 0.55 H new ATOM 0 HA SER A 133 5.309 11.476 -2.354 1.00 0.69 H new ATOM 0 HB2 SER A 133 5.178 9.818 0.156 1.00 0.95 H new ATOM 0 HB3 SER A 133 5.723 11.470 -0.052 1.00 0.95 H new ATOM 0 HG SER A 133 3.715 12.196 0.173 1.00 1.30 H new ATOM 1164 N GLU A 134 7.194 9.871 -2.739 1.00 0.53 N ATOM 1165 CA GLU A 134 8.282 8.927 -2.881 1.00 0.56 C ATOM 1166 C GLU A 134 8.944 8.750 -1.521 1.00 0.58 C ATOM 1167 O GLU A 134 8.393 9.232 -0.535 1.00 1.01 O ATOM 1168 CB GLU A 134 9.256 9.363 -3.968 1.00 0.88 C ATOM 1169 CG GLU A 134 9.885 10.728 -3.753 1.00 0.95 C ATOM 1170 CD GLU A 134 10.883 11.062 -4.843 1.00 1.45 C ATOM 1171 OE1 GLU A 134 10.511 11.033 -6.032 1.00 1.80 O ATOM 1172 OE2 GLU A 134 12.047 11.360 -4.511 1.00 1.85 O ATOM 0 H GLU A 134 7.382 10.810 -3.091 1.00 0.53 H new ATOM 0 HA GLU A 134 7.902 7.959 -3.208 1.00 0.56 H new ATOM 0 HB2 GLU A 134 10.051 8.621 -4.042 1.00 0.88 H new ATOM 0 HB3 GLU A 134 8.733 9.367 -4.924 1.00 0.88 H new ATOM 0 HG2 GLU A 134 9.105 11.489 -3.728 1.00 0.95 H new ATOM 0 HG3 GLU A 134 10.383 10.751 -2.784 1.00 0.95 H new ATOM 1179 N VAL A 135 10.081 8.042 -1.462 1.00 0.43 N ATOM 1180 CA VAL A 135 10.719 7.671 -0.184 1.00 0.38 C ATOM 1181 C VAL A 135 10.543 8.740 0.902 1.00 0.42 C ATOM 1182 O VAL A 135 11.245 9.746 0.928 1.00 0.52 O ATOM 1183 CB VAL A 135 12.215 7.358 -0.365 1.00 0.46 C ATOM 1184 CG1 VAL A 135 12.379 5.932 -0.866 1.00 0.41 C ATOM 1185 CG2 VAL A 135 12.862 8.343 -1.327 1.00 0.62 C ATOM 0 H VAL A 135 10.582 7.712 -2.287 1.00 0.43 H new ATOM 0 HA VAL A 135 10.205 6.770 0.150 1.00 0.38 H new ATOM 0 HB VAL A 135 12.716 7.457 0.598 1.00 0.46 H new ATOM 0 HG11 VAL A 135 13.439 5.711 -0.994 1.00 0.41 H new ATOM 0 HG12 VAL A 135 11.949 5.240 -0.142 1.00 0.41 H new ATOM 0 HG13 VAL A 135 11.867 5.821 -1.822 1.00 0.41 H new ATOM 0 HG21 VAL A 135 13.919 8.101 -1.439 1.00 0.62 H new ATOM 0 HG22 VAL A 135 12.371 8.279 -2.298 1.00 0.62 H new ATOM 0 HG23 VAL A 135 12.761 9.355 -0.935 1.00 0.62 H new ATOM 1195 N LYS A 136 9.576 8.470 1.786 1.00 0.40 N ATOM 1196 CA LYS A 136 9.103 9.377 2.838 1.00 0.50 C ATOM 1197 C LYS A 136 9.054 10.831 2.401 1.00 0.54 C ATOM 1198 O LYS A 136 9.888 11.649 2.784 1.00 0.52 O ATOM 1199 CB LYS A 136 9.888 9.214 4.137 1.00 0.60 C ATOM 1200 CG LYS A 136 11.056 8.258 4.027 1.00 0.59 C ATOM 1201 CD LYS A 136 12.391 8.906 4.348 1.00 1.23 C ATOM 1202 CE LYS A 136 12.674 10.139 3.496 1.00 1.54 C ATOM 1203 NZ LYS A 136 13.986 10.758 3.827 1.00 1.86 N ATOM 0 H LYS A 136 9.082 7.578 1.788 1.00 0.40 H new ATOM 0 HA LYS A 136 8.073 9.080 3.035 1.00 0.50 H new ATOM 0 HB2 LYS A 136 10.257 10.190 4.453 1.00 0.60 H new ATOM 0 HB3 LYS A 136 9.213 8.861 4.917 1.00 0.60 H new ATOM 0 HG2 LYS A 136 10.895 7.418 4.703 1.00 0.59 H new ATOM 0 HG3 LYS A 136 11.090 7.851 3.016 1.00 0.59 H new ATOM 0 HD2 LYS A 136 12.409 9.187 5.401 1.00 1.23 H new ATOM 0 HD3 LYS A 136 13.188 8.177 4.199 1.00 1.23 H new ATOM 0 HE2 LYS A 136 12.660 9.862 2.442 1.00 1.54 H new ATOM 0 HE3 LYS A 136 11.880 10.871 3.644 1.00 1.54 H new ATOM 0 HZ1 LYS A 136 14.138 11.592 3.225 1.00 1.86 H new ATOM 0 HZ2 LYS A 136 13.992 11.046 4.826 1.00 1.86 H new ATOM 0 HZ3 LYS A 136 14.747 10.068 3.662 1.00 1.86 H new ATOM 1217 N LEU A 137 8.066 11.124 1.582 1.00 0.75 N ATOM 1218 CA LEU A 137 7.779 12.479 1.151 1.00 0.97 C ATOM 1219 C LEU A 137 6.437 12.919 1.759 1.00 2.07 C ATOM 1220 O LEU A 137 5.896 13.979 1.451 1.00 2.44 O ATOM 1221 CB LEU A 137 7.800 12.522 -0.396 1.00 1.16 C ATOM 1222 CG LEU A 137 7.109 13.707 -1.078 1.00 1.32 C ATOM 1223 CD1 LEU A 137 7.727 15.020 -0.617 1.00 2.13 C ATOM 1224 CD2 LEU A 137 7.225 13.582 -2.587 1.00 2.33 C ATOM 0 H LEU A 137 7.434 10.424 1.193 1.00 0.75 H new ATOM 0 HA LEU A 137 8.532 13.185 1.501 1.00 0.97 H new ATOM 0 HB2 LEU A 137 8.841 12.508 -0.719 1.00 1.16 H new ATOM 0 HB3 LEU A 137 7.339 11.606 -0.765 1.00 1.16 H new ATOM 0 HG LEU A 137 6.055 13.700 -0.800 1.00 1.32 H new ATOM 0 HD11 LEU A 137 7.225 15.852 -1.111 1.00 2.13 H new ATOM 0 HD12 LEU A 137 7.613 15.117 0.463 1.00 2.13 H new ATOM 0 HD13 LEU A 137 8.787 15.033 -0.872 1.00 2.13 H new ATOM 0 HD21 LEU A 137 6.730 14.430 -3.061 1.00 2.33 H new ATOM 0 HD22 LEU A 137 8.277 13.570 -2.871 1.00 2.33 H new ATOM 0 HD23 LEU A 137 6.751 12.656 -2.913 1.00 2.33 H new ATOM 1236 N ALA A 138 5.923 12.095 2.665 1.00 2.90 N ATOM 1237 CA ALA A 138 4.671 12.389 3.343 1.00 4.17 C ATOM 1238 C ALA A 138 4.909 12.590 4.832 1.00 4.92 C ATOM 1239 O ALA A 138 4.836 11.597 5.586 1.00 5.35 O ATOM 1240 CB ALA A 138 3.665 11.273 3.120 1.00 4.91 C ATOM 1241 OXT ALA A 138 5.185 13.736 5.241 1.00 5.38 O ATOM 0 H ALA A 138 6.357 11.216 2.946 1.00 2.90 H new ATOM 0 HA ALA A 138 4.264 13.310 2.925 1.00 4.17 H new ATOM 0 HB1 ALA A 138 2.735 11.513 3.636 1.00 4.91 H new ATOM 0 HB2 ALA A 138 3.471 11.166 2.053 1.00 4.91 H new ATOM 0 HB3 ALA A 138 4.066 10.338 3.511 1.00 4.91 H new TER 1247 ALA A 138