USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 524 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 221 CACA :(metal ligand) USER MOD Set 1.1: A 101 SER OG : rot -53:sc= 0.498 USER MOD Set 1.2: A 135 GLN : amide:sc= -5.31! C(o=-4.8!,f=-16!) USER MOD Set 2.1: A 94 LYS NZ :NH3+ 165:sc= 0.141 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HD1:sc= -0.932 K(o=-0.79,f=-5.5) USER MOD Set 3.1: A 86 LYS NZ :NH3+ 155:sc= -2.18! (180deg=-2.95!) USER MOD Set 3.2: A 138 TYR OH : rot -15:sc= 0.66 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.136 K(o=-0.14,f=-2.3!) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 111 ASN : amide:sc= -1.66! C(o=-1.7!,f=-3.3!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 137 ASN : amide:sc= -1.52! C(o=-1.5!,f=-6.2!) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 169:sc=-0.00783 (180deg=-0.0391) USER MOD Single : A 146 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 148 LYS NZ :NH3+ 160:sc= -0.0203 (180deg=-0.449) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 80 -20.153 -5.609 0.113 1.00 0.00 N ATOM 2 CA ASP A 80 -19.672 -4.610 -0.882 1.00 0.00 C ATOM 3 C ASP A 80 -18.187 -4.832 -1.151 1.00 0.00 C ATOM 4 O ASP A 80 -17.352 -4.658 -0.264 1.00 0.00 O ATOM 5 CB ASP A 80 -19.896 -3.199 -0.335 1.00 0.00 C ATOM 6 CG ASP A 80 -21.383 -2.861 -0.349 1.00 0.00 C ATOM 7 OD1 ASP A 80 -22.125 -3.573 -1.005 1.00 0.00 O ATOM 8 OD2 ASP A 80 -21.758 -1.897 0.299 1.00 0.00 O ATOM 0 HA ASP A 80 -20.225 -4.727 -1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -19.509 -3.129 0.682 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.345 -2.476 -0.936 1.00 0.00 H new ATOM 15 N SER A 81 -17.866 -5.223 -2.381 1.00 0.00 N ATOM 16 CA SER A 81 -16.477 -5.470 -2.746 1.00 0.00 C ATOM 17 C SER A 81 -15.638 -4.226 -2.475 1.00 0.00 C ATOM 18 O SER A 81 -14.538 -4.316 -1.928 1.00 0.00 O ATOM 19 CB SER A 81 -16.380 -5.840 -4.227 1.00 0.00 C ATOM 20 OG SER A 81 -17.161 -7.002 -4.473 1.00 0.00 O ATOM 0 H SER A 81 -18.540 -5.374 -3.132 1.00 0.00 H new ATOM 0 HA SER A 81 -16.099 -6.297 -2.145 1.00 0.00 H new ATOM 0 HB2 SER A 81 -16.733 -5.014 -4.844 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.341 -6.022 -4.501 1.00 0.00 H new ATOM 0 HG SER A 81 -17.102 -7.241 -5.422 1.00 0.00 H new ATOM 26 N GLU A 82 -16.159 -3.069 -2.864 1.00 0.00 N ATOM 27 CA GLU A 82 -15.444 -1.815 -2.657 1.00 0.00 C ATOM 28 C GLU A 82 -15.135 -1.616 -1.174 1.00 0.00 C ATOM 29 O GLU A 82 -14.043 -1.176 -0.813 1.00 0.00 O ATOM 30 CB GLU A 82 -16.292 -0.649 -3.173 1.00 0.00 C ATOM 31 CG GLU A 82 -15.481 0.647 -3.120 1.00 0.00 C ATOM 32 CD GLU A 82 -14.388 0.626 -4.185 1.00 0.00 C ATOM 33 OE1 GLU A 82 -14.391 -0.289 -4.991 1.00 0.00 O ATOM 34 OE2 GLU A 82 -13.567 1.529 -4.178 1.00 0.00 O ATOM 0 H GLU A 82 -17.066 -2.972 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.503 -1.851 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -16.613 -0.846 -4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.194 -0.549 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.137 1.503 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.035 0.766 -2.133 1.00 0.00 H new ATOM 41 N GLU A 83 -16.094 -1.944 -0.317 1.00 0.00 N ATOM 42 CA GLU A 83 -15.892 -1.793 1.118 1.00 0.00 C ATOM 43 C GLU A 83 -14.752 -2.697 1.579 1.00 0.00 C ATOM 44 O GLU A 83 -13.936 -2.311 2.417 1.00 0.00 O ATOM 45 CB GLU A 83 -17.178 -2.156 1.866 1.00 0.00 C ATOM 46 CG GLU A 83 -17.001 -1.883 3.360 1.00 0.00 C ATOM 47 CD GLU A 83 -18.290 -2.216 4.105 1.00 0.00 C ATOM 48 OE1 GLU A 83 -19.148 -2.846 3.510 1.00 0.00 O ATOM 49 OE2 GLU A 83 -18.400 -1.836 5.260 1.00 0.00 O ATOM 0 H GLU A 83 -17.007 -2.311 -0.585 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.635 -0.756 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -18.013 -1.574 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.419 -3.207 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -16.179 -2.481 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -16.739 -0.837 3.519 1.00 0.00 H new ATOM 56 N GLU A 84 -14.694 -3.894 1.005 1.00 0.00 N ATOM 57 CA GLU A 84 -13.645 -4.845 1.341 1.00 0.00 C ATOM 58 C GLU A 84 -12.282 -4.292 0.923 1.00 0.00 C ATOM 59 O GLU A 84 -11.285 -4.467 1.624 1.00 0.00 O ATOM 60 CB GLU A 84 -13.949 -6.190 0.649 1.00 0.00 C ATOM 61 CG GLU A 84 -12.658 -6.982 0.426 1.00 0.00 C ATOM 62 CD GLU A 84 -12.972 -8.445 0.125 1.00 0.00 C ATOM 63 OE1 GLU A 84 -14.075 -8.871 0.424 1.00 0.00 O ATOM 64 OE2 GLU A 84 -12.103 -9.119 -0.404 1.00 0.00 O ATOM 0 H GLU A 84 -15.360 -4.226 0.307 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.615 -5.007 2.418 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.639 -6.772 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.442 -6.011 -0.306 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.096 -6.547 -0.401 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -12.026 -6.915 1.311 1.00 0.00 H new ATOM 71 N LEU A 85 -12.249 -3.623 -0.216 1.00 0.00 N ATOM 72 CA LEU A 85 -11.008 -3.043 -0.715 1.00 0.00 C ATOM 73 C LEU A 85 -10.476 -2.019 0.278 1.00 0.00 C ATOM 74 O LEU A 85 -9.285 -1.997 0.592 1.00 0.00 O ATOM 75 CB LEU A 85 -11.275 -2.375 -2.065 1.00 0.00 C ATOM 76 CG LEU A 85 -10.019 -1.688 -2.590 1.00 0.00 C ATOM 77 CD1 LEU A 85 -8.848 -2.682 -2.660 1.00 0.00 C ATOM 78 CD2 LEU A 85 -10.313 -1.141 -3.989 1.00 0.00 C ATOM 0 H LEU A 85 -13.061 -3.467 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.262 -3.828 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -11.614 -3.121 -2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.078 -1.645 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 85 -9.741 -0.878 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.961 -2.173 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.645 -3.076 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.107 -3.503 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.424 -0.646 -4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.591 -1.962 -4.650 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.133 -0.425 -3.935 1.00 0.00 H new ATOM 90 N LYS A 86 -11.375 -1.185 0.781 1.00 0.00 N ATOM 91 CA LYS A 86 -11.004 -0.166 1.758 1.00 0.00 C ATOM 92 C LYS A 86 -10.500 -0.815 3.039 1.00 0.00 C ATOM 93 O LYS A 86 -9.587 -0.301 3.685 1.00 0.00 O ATOM 94 CB LYS A 86 -12.201 0.739 2.041 1.00 0.00 C ATOM 95 CG LYS A 86 -12.437 1.629 0.823 1.00 0.00 C ATOM 96 CD LYS A 86 -13.675 2.498 1.037 1.00 0.00 C ATOM 97 CE LYS A 86 -13.801 3.495 -0.119 1.00 0.00 C ATOM 98 NZ LYS A 86 -13.973 2.756 -1.403 1.00 0.00 N ATOM 0 H LYS A 86 -12.364 -1.192 0.531 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.197 0.442 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.087 0.140 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.014 1.349 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.566 2.261 0.651 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.565 1.013 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -14.567 1.873 1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.600 3.031 1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -14.652 4.155 0.049 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.913 4.125 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.465 3.363 -2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.040 2.493 -1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.534 1.896 -1.236 1.00 0.00 H new ATOM 112 N GLU A 87 -11.058 -1.974 3.383 1.00 0.00 N ATOM 113 CA GLU A 87 -10.585 -2.681 4.567 1.00 0.00 C ATOM 114 C GLU A 87 -9.135 -3.081 4.329 1.00 0.00 C ATOM 115 O GLU A 87 -8.279 -2.916 5.198 1.00 0.00 O ATOM 116 CB GLU A 87 -11.436 -3.924 4.845 1.00 0.00 C ATOM 117 CG GLU A 87 -12.824 -3.500 5.326 1.00 0.00 C ATOM 118 CD GLU A 87 -13.703 -4.730 5.532 1.00 0.00 C ATOM 119 OE1 GLU A 87 -13.352 -5.550 6.365 1.00 0.00 O ATOM 120 OE2 GLU A 87 -14.712 -4.833 4.856 1.00 0.00 O ATOM 0 H GLU A 87 -11.815 -2.431 2.875 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.665 -2.029 5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.522 -4.527 3.941 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.953 -4.546 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.740 -2.942 6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.283 -2.833 4.596 1.00 0.00 H new ATOM 127 N ALA A 88 -8.871 -3.583 3.126 1.00 0.00 N ATOM 128 CA ALA A 88 -7.519 -3.980 2.753 1.00 0.00 C ATOM 129 C ALA A 88 -6.596 -2.767 2.832 1.00 0.00 C ATOM 130 O ALA A 88 -5.479 -2.852 3.337 1.00 0.00 O ATOM 131 CB ALA A 88 -7.514 -4.546 1.332 1.00 0.00 C ATOM 0 H ALA A 88 -9.571 -3.724 2.398 1.00 0.00 H new ATOM 0 HA ALA A 88 -7.166 -4.750 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.500 -4.840 1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.169 -5.416 1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.869 -3.786 0.636 1.00 0.00 H new ATOM 137 N PHE A 89 -7.084 -1.633 2.338 1.00 0.00 N ATOM 138 CA PHE A 89 -6.314 -0.397 2.371 1.00 0.00 C ATOM 139 C PHE A 89 -5.964 -0.035 3.812 1.00 0.00 C ATOM 140 O PHE A 89 -4.823 0.315 4.118 1.00 0.00 O ATOM 141 CB PHE A 89 -7.123 0.715 1.720 1.00 0.00 C ATOM 142 CG PHE A 89 -6.390 2.024 1.859 1.00 0.00 C ATOM 143 CD1 PHE A 89 -5.223 2.252 1.122 1.00 0.00 C ATOM 144 CD2 PHE A 89 -6.878 3.009 2.722 1.00 0.00 C ATOM 145 CE1 PHE A 89 -4.541 3.465 1.249 1.00 0.00 C ATOM 146 CE2 PHE A 89 -6.197 4.225 2.851 1.00 0.00 C ATOM 147 CZ PHE A 89 -5.027 4.452 2.114 1.00 0.00 C ATOM 0 H PHE A 89 -8.006 -1.546 1.912 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.384 -0.531 1.819 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -7.287 0.489 0.666 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -8.105 0.785 2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.849 1.490 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.780 2.832 3.289 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.640 3.641 0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.573 4.987 3.518 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.500 5.389 2.214 1.00 0.00 H new ATOM 157 N ARG A 90 -6.951 -0.138 4.692 1.00 0.00 N ATOM 158 CA ARG A 90 -6.755 0.155 6.095 1.00 0.00 C ATOM 159 C ARG A 90 -5.741 -0.804 6.715 1.00 0.00 C ATOM 160 O ARG A 90 -4.963 -0.422 7.590 1.00 0.00 O ATOM 161 CB ARG A 90 -8.087 0.040 6.813 1.00 0.00 C ATOM 162 CG ARG A 90 -8.982 1.226 6.450 1.00 0.00 C ATOM 163 CD ARG A 90 -10.341 1.047 7.120 1.00 0.00 C ATOM 164 NE ARG A 90 -10.170 0.968 8.568 1.00 0.00 N ATOM 165 CZ ARG A 90 -10.150 2.062 9.327 1.00 0.00 C ATOM 166 NH1 ARG A 90 -11.200 2.834 9.393 1.00 0.00 N ATOM 167 NH2 ARG A 90 -9.075 2.361 10.006 1.00 0.00 N ATOM 0 H ARG A 90 -7.900 -0.425 4.451 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.365 1.168 6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.578 -0.894 6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.927 0.011 7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.522 2.159 6.776 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.101 1.290 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.995 1.881 6.866 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.822 0.141 6.751 1.00 0.00 H new ATOM 0 HE ARG A 90 -10.063 0.054 9.008 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.039 2.600 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.182 3.671 9.975 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.254 1.757 9.954 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.056 3.198 10.588 1.00 0.00 H new ATOM 181 N VAL A 91 -5.738 -2.044 6.237 1.00 0.00 N ATOM 182 CA VAL A 91 -4.795 -3.045 6.730 1.00 0.00 C ATOM 183 C VAL A 91 -3.368 -2.667 6.325 1.00 0.00 C ATOM 184 O VAL A 91 -2.436 -2.766 7.120 1.00 0.00 O ATOM 185 CB VAL A 91 -5.150 -4.430 6.162 1.00 0.00 C ATOM 186 CG1 VAL A 91 -4.028 -5.428 6.469 1.00 0.00 C ATOM 187 CG2 VAL A 91 -6.459 -4.926 6.790 1.00 0.00 C ATOM 0 H VAL A 91 -6.373 -2.380 5.513 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.858 -3.081 7.818 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.271 -4.348 5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.289 -6.405 6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.099 -5.082 6.015 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.897 -5.507 7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.708 -5.907 6.386 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.339 -4.999 7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.261 -4.225 6.560 1.00 0.00 H new ATOM 197 N PHE A 92 -3.214 -2.251 5.070 1.00 0.00 N ATOM 198 CA PHE A 92 -1.906 -1.876 4.540 1.00 0.00 C ATOM 199 C PHE A 92 -1.331 -0.635 5.235 1.00 0.00 C ATOM 200 O PHE A 92 -0.122 -0.549 5.454 1.00 0.00 O ATOM 201 CB PHE A 92 -2.004 -1.593 3.034 1.00 0.00 C ATOM 202 CG PHE A 92 -2.208 -2.878 2.249 1.00 0.00 C ATOM 203 CD1 PHE A 92 -1.221 -3.871 2.250 1.00 0.00 C ATOM 204 CD2 PHE A 92 -3.376 -3.064 1.498 1.00 0.00 C ATOM 205 CE1 PHE A 92 -1.407 -5.045 1.507 1.00 0.00 C ATOM 206 CE2 PHE A 92 -3.565 -4.231 0.758 1.00 0.00 C ATOM 207 CZ PHE A 92 -2.578 -5.224 0.759 1.00 0.00 C ATOM 0 H PHE A 92 -3.979 -2.165 4.401 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.238 -2.717 4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -2.832 -0.910 2.842 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -1.096 -1.096 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.316 -3.732 2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.136 -2.297 1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -0.647 -5.812 1.511 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.470 -4.368 0.186 1.00 0.00 H new ATOM 0 HZ PHE A 92 -2.719 -6.127 0.184 1.00 0.00 H new ATOM 217 N ASP A 93 -2.188 0.339 5.537 1.00 0.00 N ATOM 218 CA ASP A 93 -1.728 1.589 6.156 1.00 0.00 C ATOM 219 C ASP A 93 -1.606 1.485 7.677 1.00 0.00 C ATOM 220 O ASP A 93 -2.543 1.812 8.410 1.00 0.00 O ATOM 221 CB ASP A 93 -2.698 2.721 5.806 1.00 0.00 C ATOM 222 CG ASP A 93 -2.082 4.073 6.157 1.00 0.00 C ATOM 223 OD1 ASP A 93 -0.894 4.110 6.439 1.00 0.00 O ATOM 224 OD2 ASP A 93 -2.809 5.053 6.141 1.00 0.00 O ATOM 0 H ASP A 93 -3.193 0.292 5.367 1.00 0.00 H new ATOM 0 HA ASP A 93 -0.733 1.795 5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.938 2.688 4.743 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.634 2.588 6.349 1.00 0.00 H new ATOM 229 N LYS A 94 -0.439 1.048 8.149 1.00 0.00 N ATOM 230 CA LYS A 94 -0.200 0.925 9.571 1.00 0.00 C ATOM 231 C LYS A 94 -0.308 2.294 10.247 1.00 0.00 C ATOM 232 O LYS A 94 -0.973 2.441 11.268 1.00 0.00 O ATOM 233 CB LYS A 94 1.192 0.338 9.783 1.00 0.00 C ATOM 234 CG LYS A 94 1.305 -0.217 11.206 1.00 0.00 C ATOM 235 CD LYS A 94 0.827 -1.683 11.258 1.00 0.00 C ATOM 236 CE LYS A 94 1.981 -2.623 10.894 1.00 0.00 C ATOM 237 NZ LYS A 94 1.517 -4.037 10.970 1.00 0.00 N ATOM 0 H LYS A 94 0.349 0.776 7.562 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.948 0.268 10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.378 -0.454 9.057 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.950 1.105 9.620 1.00 0.00 H new ATOM 0 HG2 LYS A 94 2.339 -0.154 11.545 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.708 0.390 11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.456 -1.918 12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.003 -1.828 10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.341 -2.401 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.818 -2.467 11.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 2.202 -4.653 10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.436 -4.323 11.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.589 -4.123 10.509 1.00 0.00 H new ATOM 251 N ASP A 95 0.342 3.291 9.656 1.00 0.00 N ATOM 252 CA ASP A 95 0.308 4.649 10.188 1.00 0.00 C ATOM 253 C ASP A 95 -1.135 5.116 10.241 1.00 0.00 C ATOM 254 O ASP A 95 -1.532 5.878 11.122 1.00 0.00 O ATOM 255 CB ASP A 95 1.132 5.565 9.283 1.00 0.00 C ATOM 256 CG ASP A 95 0.890 7.030 9.627 1.00 0.00 C ATOM 257 OD1 ASP A 95 0.605 7.310 10.781 1.00 0.00 O ATOM 258 OD2 ASP A 95 0.982 7.849 8.725 1.00 0.00 O ATOM 0 H ASP A 95 0.899 3.184 8.808 1.00 0.00 H new ATOM 0 HA ASP A 95 0.731 4.675 11.192 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.191 5.332 9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.870 5.384 8.240 1.00 0.00 H new ATOM 263 N GLN A 96 -1.917 4.609 9.301 1.00 0.00 N ATOM 264 CA GLN A 96 -3.332 4.923 9.244 1.00 0.00 C ATOM 265 C GLN A 96 -3.571 6.430 9.033 1.00 0.00 C ATOM 266 O GLN A 96 -4.438 7.037 9.683 1.00 0.00 O ATOM 267 CB GLN A 96 -3.998 4.420 10.565 1.00 0.00 C ATOM 268 CG GLN A 96 -5.133 3.416 10.288 1.00 0.00 C ATOM 269 CD GLN A 96 -6.399 4.165 9.917 1.00 0.00 C ATOM 270 OE1 GLN A 96 -7.307 4.319 10.745 1.00 0.00 O ATOM 271 NE2 GLN A 96 -6.532 4.663 8.721 1.00 0.00 N ATOM 0 H GLN A 96 -1.594 3.978 8.568 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.783 4.420 8.389 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.244 3.950 11.196 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.393 5.271 11.120 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -4.847 2.743 9.480 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.309 2.799 11.169 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.789 4.541 8.032 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.379 5.175 8.473 1.00 0.00 H new ATOM 280 N ASN A 97 -2.837 7.020 8.094 1.00 0.00 N ATOM 281 CA ASN A 97 -2.998 8.446 7.782 1.00 0.00 C ATOM 282 C ASN A 97 -3.605 8.638 6.395 1.00 0.00 C ATOM 283 O ASN A 97 -3.690 9.757 5.897 1.00 0.00 O ATOM 284 CB ASN A 97 -1.639 9.131 7.830 1.00 0.00 C ATOM 285 CG ASN A 97 -0.749 8.579 6.724 1.00 0.00 C ATOM 286 OD1 ASN A 97 -1.180 7.730 5.949 1.00 0.00 O ATOM 287 ND2 ASN A 97 0.477 9.018 6.603 1.00 0.00 N ATOM 0 H ASN A 97 -2.129 6.542 7.537 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.669 8.885 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.759 10.208 7.711 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.172 8.968 8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.078 8.655 5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.832 9.723 7.248 1.00 0.00 H new ATOM 294 N GLY A 98 -4.013 7.536 5.779 1.00 0.00 N ATOM 295 CA GLY A 98 -4.601 7.588 4.444 1.00 0.00 C ATOM 296 C GLY A 98 -3.517 7.472 3.374 1.00 0.00 C ATOM 297 O GLY A 98 -3.703 7.904 2.237 1.00 0.00 O ATOM 0 H GLY A 98 -3.949 6.600 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.323 6.780 4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -5.146 8.523 4.317 1.00 0.00 H new ATOM 301 N PHE A 99 -2.389 6.873 3.750 1.00 0.00 N ATOM 302 CA PHE A 99 -1.271 6.678 2.826 1.00 0.00 C ATOM 303 C PHE A 99 -0.535 5.389 3.153 1.00 0.00 C ATOM 304 O PHE A 99 -0.422 5.011 4.316 1.00 0.00 O ATOM 305 CB PHE A 99 -0.282 7.839 2.924 1.00 0.00 C ATOM 306 CG PHE A 99 -0.903 9.091 2.368 1.00 0.00 C ATOM 307 CD1 PHE A 99 -1.678 9.919 3.188 1.00 0.00 C ATOM 308 CD2 PHE A 99 -0.704 9.424 1.024 1.00 0.00 C ATOM 309 CE1 PHE A 99 -2.253 11.082 2.663 1.00 0.00 C ATOM 310 CE2 PHE A 99 -1.279 10.584 0.499 1.00 0.00 C ATOM 311 CZ PHE A 99 -2.054 11.414 1.317 1.00 0.00 C ATOM 0 H PHE A 99 -2.224 6.513 4.690 1.00 0.00 H new ATOM 0 HA PHE A 99 -1.678 6.628 1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.005 7.996 3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.628 7.600 2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.832 9.661 4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.106 8.784 0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.850 11.723 3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.125 10.840 -0.539 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.499 12.310 0.910 1.00 0.00 H new ATOM 321 N ILE A 100 0.009 4.741 2.124 1.00 0.00 N ATOM 322 CA ILE A 100 0.786 3.519 2.319 1.00 0.00 C ATOM 323 C ILE A 100 2.229 3.804 1.943 1.00 0.00 C ATOM 324 O ILE A 100 2.517 4.282 0.846 1.00 0.00 O ATOM 325 CB ILE A 100 0.238 2.372 1.472 1.00 0.00 C ATOM 326 CG1 ILE A 100 -1.203 2.082 1.891 1.00 0.00 C ATOM 327 CG2 ILE A 100 1.090 1.123 1.698 1.00 0.00 C ATOM 328 CD1 ILE A 100 -1.849 1.137 0.880 1.00 0.00 C ATOM 0 H ILE A 100 -0.073 5.040 1.152 1.00 0.00 H new ATOM 0 HA ILE A 100 0.719 3.214 3.363 1.00 0.00 H new ATOM 0 HB ILE A 100 0.267 2.648 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.221 1.635 2.885 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.770 3.011 1.949 1.00 0.00 H new ATOM 0 HG21 ILE A 100 0.701 0.303 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.121 1.329 1.409 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.057 0.846 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.877 0.931 1.180 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.845 1.601 -0.106 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.287 0.204 0.844 1.00 0.00 H new ATOM 340 N SER A 101 3.126 3.523 2.874 1.00 0.00 N ATOM 341 CA SER A 101 4.551 3.766 2.668 1.00 0.00 C ATOM 342 C SER A 101 5.283 2.448 2.472 1.00 0.00 C ATOM 343 O SER A 101 4.838 1.406 2.951 1.00 0.00 O ATOM 344 CB SER A 101 5.120 4.506 3.888 1.00 0.00 C ATOM 345 OG SER A 101 4.128 5.377 4.413 1.00 0.00 O ATOM 0 H SER A 101 2.895 3.125 3.784 1.00 0.00 H new ATOM 0 HA SER A 101 4.688 4.377 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.432 3.791 4.649 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.005 5.074 3.603 1.00 0.00 H new ATOM 0 HG SER A 101 3.783 5.949 3.696 1.00 0.00 H new ATOM 351 N ALA A 102 6.419 2.500 1.786 1.00 0.00 N ATOM 352 CA ALA A 102 7.193 1.290 1.573 1.00 0.00 C ATOM 353 C ALA A 102 7.502 0.682 2.932 1.00 0.00 C ATOM 354 O ALA A 102 7.393 -0.528 3.124 1.00 0.00 O ATOM 355 CB ALA A 102 8.491 1.610 0.831 1.00 0.00 C ATOM 0 H ALA A 102 6.815 3.347 1.378 1.00 0.00 H new ATOM 0 HA ALA A 102 6.625 0.586 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.059 0.692 0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.257 2.056 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.083 2.310 1.420 1.00 0.00 H new ATOM 361 N ALA A 103 7.866 1.542 3.878 1.00 0.00 N ATOM 362 CA ALA A 103 8.167 1.097 5.229 1.00 0.00 C ATOM 363 C ALA A 103 6.953 0.391 5.823 1.00 0.00 C ATOM 364 O ALA A 103 7.064 -0.712 6.358 1.00 0.00 O ATOM 365 CB ALA A 103 8.530 2.304 6.096 1.00 0.00 C ATOM 0 H ALA A 103 7.959 2.547 3.732 1.00 0.00 H new ATOM 0 HA ALA A 103 9.007 0.403 5.199 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.756 1.970 7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.403 2.804 5.676 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.691 2.999 6.122 1.00 0.00 H new ATOM 371 N GLU A 104 5.793 1.033 5.717 1.00 0.00 N ATOM 372 CA GLU A 104 4.563 0.469 6.234 1.00 0.00 C ATOM 373 C GLU A 104 4.210 -0.795 5.460 1.00 0.00 C ATOM 374 O GLU A 104 3.836 -1.813 6.041 1.00 0.00 O ATOM 375 CB GLU A 104 3.450 1.499 6.078 1.00 0.00 C ATOM 376 CG GLU A 104 3.738 2.704 6.974 1.00 0.00 C ATOM 377 CD GLU A 104 2.728 3.814 6.699 1.00 0.00 C ATOM 378 OE1 GLU A 104 1.786 3.563 5.967 1.00 0.00 O ATOM 379 OE2 GLU A 104 2.912 4.897 7.226 1.00 0.00 O ATOM 0 H GLU A 104 5.685 1.946 5.276 1.00 0.00 H new ATOM 0 HA GLU A 104 4.686 0.213 7.286 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.377 1.816 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 104 2.490 1.056 6.344 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.689 2.408 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.749 3.068 6.793 1.00 0.00 H new ATOM 386 N LEU A 105 4.352 -0.718 4.142 1.00 0.00 N ATOM 387 CA LEU A 105 4.066 -1.854 3.276 1.00 0.00 C ATOM 388 C LEU A 105 5.054 -2.983 3.567 1.00 0.00 C ATOM 389 O LEU A 105 4.694 -4.160 3.557 1.00 0.00 O ATOM 390 CB LEU A 105 4.176 -1.426 1.805 1.00 0.00 C ATOM 391 CG LEU A 105 3.578 -2.508 0.881 1.00 0.00 C ATOM 392 CD1 LEU A 105 2.062 -2.308 0.739 1.00 0.00 C ATOM 393 CD2 LEU A 105 4.219 -2.411 -0.508 1.00 0.00 C ATOM 0 H LEU A 105 4.664 0.120 3.650 1.00 0.00 H new ATOM 0 HA LEU A 105 3.053 -2.208 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.653 -0.482 1.655 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.221 -1.256 1.547 1.00 0.00 H new ATOM 0 HG LEU A 105 3.777 -3.486 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 105 1.653 -3.078 0.085 1.00 0.00 H new ATOM 0 HD12 LEU A 105 1.592 -2.379 1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.863 -1.325 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.795 -3.176 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 105 4.023 -1.426 -0.931 1.00 0.00 H new ATOM 0 HD23 LEU A 105 5.295 -2.562 -0.423 1.00 0.00 H new ATOM 405 N ARG A 106 6.299 -2.602 3.834 1.00 0.00 N ATOM 406 CA ARG A 106 7.340 -3.578 4.139 1.00 0.00 C ATOM 407 C ARG A 106 6.974 -4.351 5.404 1.00 0.00 C ATOM 408 O ARG A 106 7.131 -5.571 5.466 1.00 0.00 O ATOM 409 CB ARG A 106 8.687 -2.873 4.342 1.00 0.00 C ATOM 410 CG ARG A 106 9.789 -3.918 4.565 1.00 0.00 C ATOM 411 CD ARG A 106 11.129 -3.215 4.794 1.00 0.00 C ATOM 412 NE ARG A 106 12.215 -4.195 4.853 1.00 0.00 N ATOM 413 CZ ARG A 106 12.586 -4.758 6.002 1.00 0.00 C ATOM 414 NH1 ARG A 106 11.689 -5.231 6.824 1.00 0.00 N ATOM 415 NH2 ARG A 106 13.852 -4.841 6.305 1.00 0.00 N ATOM 0 H ARG A 106 6.611 -1.631 3.846 1.00 0.00 H new ATOM 0 HA ARG A 106 7.423 -4.271 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.923 -2.261 3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.631 -2.201 5.198 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.543 -4.542 5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.857 -4.579 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.316 -2.503 3.990 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.094 -2.645 5.722 1.00 0.00 H new ATOM 0 HE ARG A 106 12.699 -4.453 3.993 1.00 0.00 H new ATOM 0 HH11 ARG A 106 10.699 -5.171 6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.979 -5.661 7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.555 -4.475 5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.139 -5.272 7.184 1.00 0.00 H new ATOM 429 N HIS A 107 6.491 -3.628 6.410 1.00 0.00 N ATOM 430 CA HIS A 107 6.107 -4.247 7.676 1.00 0.00 C ATOM 431 C HIS A 107 4.906 -5.170 7.486 1.00 0.00 C ATOM 432 O HIS A 107 4.862 -6.267 8.044 1.00 0.00 O ATOM 433 CB HIS A 107 5.762 -3.162 8.698 1.00 0.00 C ATOM 434 CG HIS A 107 5.534 -3.792 10.045 1.00 0.00 C ATOM 435 ND1 HIS A 107 4.344 -4.421 10.375 1.00 0.00 N ATOM 436 CD2 HIS A 107 6.334 -3.894 11.155 1.00 0.00 C ATOM 437 CE1 HIS A 107 4.460 -4.870 11.638 1.00 0.00 C ATOM 438 NE2 HIS A 107 5.654 -4.575 12.161 1.00 0.00 N ATOM 0 H HIS A 107 6.356 -2.618 6.375 1.00 0.00 H new ATOM 0 HA HIS A 107 6.947 -4.839 8.038 1.00 0.00 H new ATOM 0 HB2 HIS A 107 6.571 -2.434 8.758 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.870 -2.621 8.382 1.00 0.00 H new ATOM 0 HD2 HIS A 107 7.338 -3.505 11.236 1.00 0.00 H new ATOM 0 HE1 HIS A 107 3.683 -5.404 12.165 1.00 0.00 H new ATOM 0 HE2 HIS A 107 5.994 -4.800 13.096 1.00 0.00 H new ATOM 446 N VAL A 108 3.939 -4.719 6.698 1.00 0.00 N ATOM 447 CA VAL A 108 2.740 -5.509 6.441 1.00 0.00 C ATOM 448 C VAL A 108 3.109 -6.814 5.740 1.00 0.00 C ATOM 449 O VAL A 108 2.614 -7.883 6.099 1.00 0.00 O ATOM 450 CB VAL A 108 1.762 -4.703 5.580 1.00 0.00 C ATOM 451 CG1 VAL A 108 0.578 -5.587 5.172 1.00 0.00 C ATOM 452 CG2 VAL A 108 1.248 -3.500 6.384 1.00 0.00 C ATOM 0 H VAL A 108 3.960 -3.814 6.227 1.00 0.00 H new ATOM 0 HA VAL A 108 2.262 -5.748 7.391 1.00 0.00 H new ATOM 0 HB VAL A 108 2.275 -4.354 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -0.114 -5.009 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.941 -6.441 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.063 -5.941 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.552 -2.925 5.773 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.738 -3.853 7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.088 -2.867 6.669 1.00 0.00 H new ATOM 462 N MET A 109 3.994 -6.722 4.755 1.00 0.00 N ATOM 463 CA MET A 109 4.448 -7.902 4.023 1.00 0.00 C ATOM 464 C MET A 109 5.235 -8.817 4.962 1.00 0.00 C ATOM 465 O MET A 109 5.177 -10.037 4.854 1.00 0.00 O ATOM 466 CB MET A 109 5.334 -7.473 2.848 1.00 0.00 C ATOM 467 CG MET A 109 4.461 -6.921 1.714 1.00 0.00 C ATOM 468 SD MET A 109 3.500 -8.264 0.969 1.00 0.00 S ATOM 469 CE MET A 109 2.763 -7.295 -0.371 1.00 0.00 C ATOM 0 H MET A 109 4.412 -5.845 4.444 1.00 0.00 H new ATOM 0 HA MET A 109 3.584 -8.443 3.638 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.045 -6.714 3.175 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.916 -8.322 2.491 1.00 0.00 H new ATOM 0 HG2 MET A 109 3.791 -6.153 2.100 1.00 0.00 H new ATOM 0 HG3 MET A 109 5.087 -6.447 0.958 1.00 0.00 H new ATOM 0 HE1 MET A 109 2.118 -7.936 -0.971 1.00 0.00 H new ATOM 0 HE2 MET A 109 2.174 -6.480 0.050 1.00 0.00 H new ATOM 0 HE3 MET A 109 3.553 -6.884 -1.000 1.00 0.00 H new ATOM 479 N THR A 110 5.970 -8.211 5.889 1.00 0.00 N ATOM 480 CA THR A 110 6.752 -8.984 6.850 1.00 0.00 C ATOM 481 C THR A 110 5.824 -9.791 7.759 1.00 0.00 C ATOM 482 O THR A 110 6.047 -10.977 7.997 1.00 0.00 O ATOM 483 CB THR A 110 7.624 -8.052 7.691 1.00 0.00 C ATOM 484 OG1 THR A 110 8.522 -7.353 6.840 1.00 0.00 O ATOM 485 CG2 THR A 110 8.416 -8.873 8.710 1.00 0.00 C ATOM 0 H THR A 110 6.041 -7.199 5.996 1.00 0.00 H new ATOM 0 HA THR A 110 7.396 -9.672 6.302 1.00 0.00 H new ATOM 0 HB THR A 110 6.992 -7.338 8.218 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.039 -6.645 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.038 -8.208 9.309 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.725 -9.409 9.361 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.050 -9.588 8.187 1.00 0.00 H new ATOM 493 N ASN A 111 4.772 -9.135 8.246 1.00 0.00 N ATOM 494 CA ASN A 111 3.791 -9.792 9.109 1.00 0.00 C ATOM 495 C ASN A 111 3.072 -10.878 8.321 1.00 0.00 C ATOM 496 O ASN A 111 2.786 -11.963 8.828 1.00 0.00 O ATOM 497 CB ASN A 111 2.776 -8.763 9.608 1.00 0.00 C ATOM 498 CG ASN A 111 1.698 -9.445 10.447 1.00 0.00 C ATOM 499 OD1 ASN A 111 1.720 -10.664 10.615 1.00 0.00 O ATOM 500 ND2 ASN A 111 0.748 -8.725 10.979 1.00 0.00 N ATOM 0 H ASN A 111 4.577 -8.152 8.058 1.00 0.00 H new ATOM 0 HA ASN A 111 4.300 -10.239 9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.282 -8.002 10.202 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.318 -8.253 8.760 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.020 -9.172 11.536 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.733 -7.715 10.837 1.00 0.00 H new ATOM 507 N LEU A 112 2.792 -10.550 7.070 1.00 0.00 N ATOM 508 CA LEU A 112 2.109 -11.447 6.150 1.00 0.00 C ATOM 509 C LEU A 112 2.740 -12.838 6.165 1.00 0.00 C ATOM 510 O LEU A 112 2.109 -13.819 5.771 1.00 0.00 O ATOM 511 CB LEU A 112 2.214 -10.838 4.742 1.00 0.00 C ATOM 512 CG LEU A 112 1.165 -11.402 3.779 1.00 0.00 C ATOM 513 CD1 LEU A 112 -0.262 -11.107 4.281 1.00 0.00 C ATOM 514 CD2 LEU A 112 1.378 -10.748 2.406 1.00 0.00 C ATOM 0 H LEU A 112 3.034 -9.647 6.661 1.00 0.00 H new ATOM 0 HA LEU A 112 1.067 -11.559 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.098 -9.756 4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.210 -11.028 4.341 1.00 0.00 H new ATOM 0 HG LEU A 112 1.277 -12.484 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -0.987 -11.518 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.405 -11.564 5.260 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.404 -10.029 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.642 -11.134 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.263 -9.668 2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.381 -10.977 2.045 1.00 0.00 H new ATOM 526 N GLY A 113 4.002 -12.910 6.578 1.00 0.00 N ATOM 527 CA GLY A 113 4.723 -14.179 6.587 1.00 0.00 C ATOM 528 C GLY A 113 5.428 -14.329 5.252 1.00 0.00 C ATOM 529 O GLY A 113 5.934 -15.394 4.900 1.00 0.00 O ATOM 0 H GLY A 113 4.543 -12.111 6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.445 -14.201 7.403 1.00 0.00 H new ATOM 0 HA3 GLY A 113 4.034 -15.008 6.749 1.00 0.00 H new ATOM 533 N GLU A 114 5.457 -13.214 4.527 1.00 0.00 N ATOM 534 CA GLU A 114 6.099 -13.133 3.224 1.00 0.00 C ATOM 535 C GLU A 114 7.348 -12.274 3.356 1.00 0.00 C ATOM 536 O GLU A 114 7.341 -11.287 4.091 1.00 0.00 O ATOM 537 CB GLU A 114 5.135 -12.496 2.232 1.00 0.00 C ATOM 538 CG GLU A 114 3.901 -13.386 2.099 1.00 0.00 C ATOM 539 CD GLU A 114 4.273 -14.722 1.466 1.00 0.00 C ATOM 540 OE1 GLU A 114 4.896 -14.706 0.418 1.00 0.00 O ATOM 541 OE2 GLU A 114 3.929 -15.743 2.040 1.00 0.00 O ATOM 0 H GLU A 114 5.033 -12.338 4.831 1.00 0.00 H new ATOM 0 HA GLU A 114 6.371 -14.127 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.847 -11.501 2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.618 -12.374 1.262 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.458 -13.553 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.148 -12.885 1.490 1.00 0.00 H new ATOM 548 N LYS A 115 8.426 -12.649 2.666 1.00 0.00 N ATOM 549 CA LYS A 115 9.681 -11.891 2.751 1.00 0.00 C ATOM 550 C LYS A 115 10.125 -11.399 1.378 1.00 0.00 C ATOM 551 O LYS A 115 10.738 -12.138 0.607 1.00 0.00 O ATOM 552 CB LYS A 115 10.771 -12.783 3.358 1.00 0.00 C ATOM 553 CG LYS A 115 11.932 -11.920 3.871 1.00 0.00 C ATOM 554 CD LYS A 115 12.931 -12.797 4.636 1.00 0.00 C ATOM 555 CE LYS A 115 13.662 -13.735 3.671 1.00 0.00 C ATOM 556 NZ LYS A 115 14.883 -14.269 4.338 1.00 0.00 N ATOM 0 H LYS A 115 8.459 -13.461 2.050 1.00 0.00 H new ATOM 0 HA LYS A 115 9.515 -11.019 3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 115 10.356 -13.372 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 115 11.134 -13.488 2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.430 -11.430 3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 115 11.552 -11.132 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 115 13.652 -12.168 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.408 -13.380 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.007 -14.554 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.934 -13.200 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.383 -14.907 3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.509 -13.481 4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.610 -14.793 5.194 1.00 0.00 H new ATOM 570 N LEU A 116 9.817 -10.136 1.088 1.00 0.00 N ATOM 571 CA LEU A 116 10.188 -9.522 -0.186 1.00 0.00 C ATOM 572 C LEU A 116 11.462 -8.703 -0.018 1.00 0.00 C ATOM 573 O LEU A 116 11.764 -8.226 1.077 1.00 0.00 O ATOM 574 CB LEU A 116 9.072 -8.594 -0.672 1.00 0.00 C ATOM 575 CG LEU A 116 7.905 -9.409 -1.227 1.00 0.00 C ATOM 576 CD1 LEU A 116 7.270 -10.243 -0.107 1.00 0.00 C ATOM 577 CD2 LEU A 116 6.864 -8.448 -1.808 1.00 0.00 C ATOM 0 H LEU A 116 9.310 -9.516 1.720 1.00 0.00 H new ATOM 0 HA LEU A 116 10.349 -10.316 -0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.727 -7.967 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.456 -7.926 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 116 8.265 -10.082 -2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.439 -10.821 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 116 8.015 -10.921 0.309 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.904 -9.580 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.025 -9.018 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.508 -7.780 -1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.317 -7.861 -2.607 1.00 0.00 H new ATOM 589 N THR A 117 12.191 -8.518 -1.111 1.00 0.00 N ATOM 590 CA THR A 117 13.410 -7.736 -1.080 1.00 0.00 C ATOM 591 C THR A 117 13.063 -6.251 -1.119 1.00 0.00 C ATOM 592 O THR A 117 11.929 -5.881 -1.422 1.00 0.00 O ATOM 593 CB THR A 117 14.280 -8.103 -2.283 1.00 0.00 C ATOM 594 OG1 THR A 117 14.530 -9.501 -2.270 1.00 0.00 O ATOM 595 CG2 THR A 117 15.601 -7.347 -2.214 1.00 0.00 C ATOM 0 H THR A 117 11.956 -8.900 -2.027 1.00 0.00 H new ATOM 0 HA THR A 117 13.960 -7.949 -0.163 1.00 0.00 H new ATOM 0 HB THR A 117 13.762 -7.832 -3.203 1.00 0.00 H new ATOM 0 HG1 THR A 117 15.086 -9.741 -3.040 1.00 0.00 H new ATOM 0 HG21 THR A 117 16.217 -7.612 -3.073 1.00 0.00 H new ATOM 0 HG22 THR A 117 15.407 -6.274 -2.223 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.125 -7.613 -1.296 1.00 0.00 H new ATOM 603 N ASP A 118 14.039 -5.402 -0.823 1.00 0.00 N ATOM 604 CA ASP A 118 13.813 -3.969 -0.841 1.00 0.00 C ATOM 605 C ASP A 118 13.468 -3.514 -2.252 1.00 0.00 C ATOM 606 O ASP A 118 12.609 -2.654 -2.449 1.00 0.00 O ATOM 607 CB ASP A 118 15.078 -3.256 -0.361 1.00 0.00 C ATOM 608 CG ASP A 118 15.232 -3.420 1.149 1.00 0.00 C ATOM 609 OD1 ASP A 118 14.496 -4.210 1.717 1.00 0.00 O ATOM 610 OD2 ASP A 118 16.085 -2.755 1.713 1.00 0.00 O ATOM 0 H ASP A 118 14.987 -5.681 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 118 12.981 -3.724 -0.180 1.00 0.00 H new ATOM 0 HB2 ASP A 118 15.951 -3.665 -0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.027 -2.198 -0.616 1.00 0.00 H new ATOM 615 N GLU A 119 14.158 -4.087 -3.229 1.00 0.00 N ATOM 616 CA GLU A 119 13.944 -3.735 -4.624 1.00 0.00 C ATOM 617 C GLU A 119 12.546 -4.128 -5.091 1.00 0.00 C ATOM 618 O GLU A 119 11.896 -3.370 -5.811 1.00 0.00 O ATOM 619 CB GLU A 119 14.990 -4.432 -5.492 1.00 0.00 C ATOM 620 CG GLU A 119 14.950 -3.857 -6.910 1.00 0.00 C ATOM 621 CD GLU A 119 15.463 -2.420 -6.903 1.00 0.00 C ATOM 622 OE1 GLU A 119 16.158 -2.065 -5.963 1.00 0.00 O ATOM 623 OE2 GLU A 119 15.153 -1.694 -7.833 1.00 0.00 O ATOM 0 H GLU A 119 14.872 -4.799 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 119 14.040 -2.653 -4.720 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.982 -4.296 -5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 119 14.798 -5.505 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 119 15.560 -4.467 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 119 13.931 -3.886 -7.295 1.00 0.00 H new ATOM 630 N GLU A 120 12.067 -5.299 -4.672 1.00 0.00 N ATOM 631 CA GLU A 120 10.729 -5.723 -5.066 1.00 0.00 C ATOM 632 C GLU A 120 9.711 -4.793 -4.431 1.00 0.00 C ATOM 633 O GLU A 120 8.756 -4.352 -5.073 1.00 0.00 O ATOM 634 CB GLU A 120 10.454 -7.161 -4.620 1.00 0.00 C ATOM 635 CG GLU A 120 11.329 -8.130 -5.416 1.00 0.00 C ATOM 636 CD GLU A 120 11.083 -9.559 -4.943 1.00 0.00 C ATOM 637 OE1 GLU A 120 10.963 -9.752 -3.744 1.00 0.00 O ATOM 638 OE2 GLU A 120 11.017 -10.439 -5.785 1.00 0.00 O ATOM 0 H GLU A 120 12.572 -5.954 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 120 10.654 -5.683 -6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.657 -7.265 -3.554 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.401 -7.402 -4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 120 11.105 -8.046 -6.479 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.380 -7.872 -5.290 1.00 0.00 H new ATOM 645 N VAL A 121 9.937 -4.496 -3.158 1.00 0.00 N ATOM 646 CA VAL A 121 9.060 -3.610 -2.412 1.00 0.00 C ATOM 647 C VAL A 121 9.059 -2.220 -3.045 1.00 0.00 C ATOM 648 O VAL A 121 8.002 -1.632 -3.272 1.00 0.00 O ATOM 649 CB VAL A 121 9.553 -3.536 -0.964 1.00 0.00 C ATOM 650 CG1 VAL A 121 8.823 -2.421 -0.209 1.00 0.00 C ATOM 651 CG2 VAL A 121 9.297 -4.875 -0.269 1.00 0.00 C ATOM 0 H VAL A 121 10.724 -4.859 -2.621 1.00 0.00 H new ATOM 0 HA VAL A 121 8.040 -3.994 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 121 10.621 -3.320 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.184 -2.381 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 121 9.013 -1.466 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.752 -2.622 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.648 -4.823 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.229 -5.091 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.832 -5.666 -0.795 1.00 0.00 H new ATOM 661 N ASP A 122 10.252 -1.705 -3.334 1.00 0.00 N ATOM 662 CA ASP A 122 10.382 -0.388 -3.948 1.00 0.00 C ATOM 663 C ASP A 122 9.777 -0.377 -5.354 1.00 0.00 C ATOM 664 O ASP A 122 8.995 0.510 -5.693 1.00 0.00 O ATOM 665 CB ASP A 122 11.858 0.002 -4.025 1.00 0.00 C ATOM 666 CG ASP A 122 12.001 1.376 -4.670 1.00 0.00 C ATOM 667 OD1 ASP A 122 11.466 2.324 -4.121 1.00 0.00 O ATOM 668 OD2 ASP A 122 12.646 1.459 -5.703 1.00 0.00 O ATOM 0 H ASP A 122 11.138 -2.178 -3.154 1.00 0.00 H new ATOM 0 HA ASP A 122 9.842 0.331 -3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 122 12.292 0.013 -3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 122 12.409 -0.740 -4.603 1.00 0.00 H new ATOM 673 N GLU A 123 10.157 -1.359 -6.171 1.00 0.00 N ATOM 674 CA GLU A 123 9.660 -1.439 -7.544 1.00 0.00 C ATOM 675 C GLU A 123 8.137 -1.456 -7.565 1.00 0.00 C ATOM 676 O GLU A 123 7.511 -0.755 -8.361 1.00 0.00 O ATOM 677 CB GLU A 123 10.197 -2.706 -8.217 1.00 0.00 C ATOM 678 CG GLU A 123 9.758 -2.739 -9.685 1.00 0.00 C ATOM 679 CD GLU A 123 10.337 -3.970 -10.373 1.00 0.00 C ATOM 680 OE1 GLU A 123 11.237 -4.572 -9.811 1.00 0.00 O ATOM 681 OE2 GLU A 123 9.871 -4.294 -11.453 1.00 0.00 O ATOM 0 H GLU A 123 10.802 -2.104 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 123 10.007 -0.561 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 123 11.285 -2.730 -8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 123 9.827 -3.590 -7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.670 -2.755 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 123 10.094 -1.836 -10.194 1.00 0.00 H new ATOM 688 N MET A 124 7.546 -2.242 -6.676 1.00 0.00 N ATOM 689 CA MET A 124 6.096 -2.325 -6.587 1.00 0.00 C ATOM 690 C MET A 124 5.524 -0.973 -6.187 1.00 0.00 C ATOM 691 O MET A 124 4.513 -0.517 -6.724 1.00 0.00 O ATOM 692 CB MET A 124 5.715 -3.383 -5.547 1.00 0.00 C ATOM 693 CG MET A 124 4.217 -3.312 -5.245 1.00 0.00 C ATOM 694 SD MET A 124 3.691 -4.852 -4.454 1.00 0.00 S ATOM 695 CE MET A 124 2.150 -4.231 -3.738 1.00 0.00 C ATOM 0 H MET A 124 8.046 -2.829 -6.009 1.00 0.00 H new ATOM 0 HA MET A 124 5.686 -2.606 -7.557 1.00 0.00 H new ATOM 0 HB2 MET A 124 5.972 -4.376 -5.916 1.00 0.00 H new ATOM 0 HB3 MET A 124 6.286 -3.226 -4.632 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.006 -2.465 -4.593 1.00 0.00 H new ATOM 0 HG3 MET A 124 3.656 -3.153 -6.166 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.652 -5.034 -3.194 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.371 -3.411 -3.054 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.497 -3.873 -4.534 1.00 0.00 H new ATOM 705 N ILE A 125 6.200 -0.341 -5.246 1.00 0.00 N ATOM 706 CA ILE A 125 5.797 0.968 -4.757 1.00 0.00 C ATOM 707 C ILE A 125 5.964 2.024 -5.854 1.00 0.00 C ATOM 708 O ILE A 125 5.060 2.819 -6.090 1.00 0.00 O ATOM 709 CB ILE A 125 6.642 1.304 -3.514 1.00 0.00 C ATOM 710 CG1 ILE A 125 6.100 0.547 -2.278 1.00 0.00 C ATOM 711 CG2 ILE A 125 6.670 2.809 -3.239 1.00 0.00 C ATOM 712 CD1 ILE A 125 4.671 0.999 -1.907 1.00 0.00 C ATOM 0 H ILE A 125 7.038 -0.715 -4.801 1.00 0.00 H new ATOM 0 HA ILE A 125 4.743 0.960 -4.480 1.00 0.00 H new ATOM 0 HB ILE A 125 7.665 0.983 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.101 -0.524 -2.479 1.00 0.00 H new ATOM 0 HG13 ILE A 125 6.765 0.713 -1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.276 3.006 -2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 125 7.100 3.328 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 125 5.654 3.167 -3.070 1.00 0.00 H new ATOM 0 HD11 ILE A 125 4.329 0.443 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 125 4.674 2.065 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 125 4.000 0.809 -2.745 1.00 0.00 H new ATOM 724 N ARG A 126 7.115 2.020 -6.530 1.00 0.00 N ATOM 725 CA ARG A 126 7.367 2.985 -7.602 1.00 0.00 C ATOM 726 C ARG A 126 6.453 2.720 -8.790 1.00 0.00 C ATOM 727 O ARG A 126 5.962 3.646 -9.433 1.00 0.00 O ATOM 728 CB ARG A 126 8.821 2.906 -8.060 1.00 0.00 C ATOM 729 CG ARG A 126 9.735 3.427 -6.955 1.00 0.00 C ATOM 730 CD ARG A 126 11.191 3.250 -7.386 1.00 0.00 C ATOM 731 NE ARG A 126 11.478 4.084 -8.549 1.00 0.00 N ATOM 732 CZ ARG A 126 12.649 4.015 -9.172 1.00 0.00 C ATOM 733 NH1 ARG A 126 13.084 2.868 -9.619 1.00 0.00 N ATOM 734 NH2 ARG A 126 13.366 5.092 -9.338 1.00 0.00 N ATOM 0 H ARG A 126 7.879 1.367 -6.357 1.00 0.00 H new ATOM 0 HA ARG A 126 7.164 3.982 -7.210 1.00 0.00 H new ATOM 0 HB2 ARG A 126 9.080 1.876 -8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 126 8.959 3.494 -8.968 1.00 0.00 H new ATOM 0 HG2 ARG A 126 9.526 4.479 -6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 126 9.549 2.886 -6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.856 3.517 -6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 126 11.383 2.204 -7.624 1.00 0.00 H new ATOM 0 HE ARG A 126 10.767 4.731 -8.889 1.00 0.00 H new ATOM 0 HH11 ARG A 126 12.525 2.025 -9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 126 13.983 2.815 -10.097 1.00 0.00 H new ATOM 0 HH21 ARG A 126 13.028 5.989 -8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 126 14.265 5.037 -9.817 1.00 0.00 H new ATOM 748 N GLU A 127 6.211 1.443 -9.054 1.00 0.00 N ATOM 749 CA GLU A 127 5.331 1.064 -10.151 1.00 0.00 C ATOM 750 C GLU A 127 3.922 1.551 -9.838 1.00 0.00 C ATOM 751 O GLU A 127 3.167 1.940 -10.729 1.00 0.00 O ATOM 752 CB GLU A 127 5.330 -0.458 -10.329 1.00 0.00 C ATOM 753 CG GLU A 127 4.551 -0.838 -11.596 1.00 0.00 C ATOM 754 CD GLU A 127 3.046 -0.775 -11.339 1.00 0.00 C ATOM 755 OE1 GLU A 127 2.642 -1.053 -10.221 1.00 0.00 O ATOM 756 OE2 GLU A 127 2.321 -0.454 -12.266 1.00 0.00 O ATOM 0 H GLU A 127 6.606 0.661 -8.531 1.00 0.00 H new ATOM 0 HA GLU A 127 5.684 1.518 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 127 6.354 -0.825 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.879 -0.934 -9.458 1.00 0.00 H new ATOM 0 HG2 GLU A 127 4.816 -0.162 -12.409 1.00 0.00 H new ATOM 0 HG3 GLU A 127 4.830 -1.843 -11.914 1.00 0.00 H new ATOM 763 N ALA A 128 3.596 1.544 -8.540 1.00 0.00 N ATOM 764 CA ALA A 128 2.292 2.008 -8.072 1.00 0.00 C ATOM 765 C ALA A 128 2.339 3.500 -7.765 1.00 0.00 C ATOM 766 O ALA A 128 1.295 4.117 -7.523 1.00 0.00 O ATOM 767 CB ALA A 128 1.853 1.254 -6.821 1.00 0.00 C ATOM 0 H ALA A 128 4.219 1.222 -7.799 1.00 0.00 H new ATOM 0 HA ALA A 128 1.571 1.819 -8.867 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.879 1.622 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 128 1.783 0.189 -7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.583 1.411 -6.027 1.00 0.00 H new ATOM 773 N ASP A 129 3.549 4.095 -7.780 1.00 0.00 N ATOM 774 CA ASP A 129 3.677 5.538 -7.507 1.00 0.00 C ATOM 775 C ASP A 129 3.777 6.306 -8.810 1.00 0.00 C ATOM 776 O ASP A 129 4.783 6.258 -9.525 1.00 0.00 O ATOM 777 CB ASP A 129 4.893 5.861 -6.657 1.00 0.00 C ATOM 778 CG ASP A 129 4.691 7.241 -6.037 1.00 0.00 C ATOM 779 OD1 ASP A 129 3.700 7.883 -6.361 1.00 0.00 O ATOM 780 OD2 ASP A 129 5.519 7.625 -5.241 1.00 0.00 O ATOM 0 H ASP A 129 4.428 3.614 -7.973 1.00 0.00 H new ATOM 0 HA ASP A 129 2.786 5.834 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.022 5.110 -5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.797 5.847 -7.266 1.00 0.00 H new ATOM 785 N VAL A 130 2.680 6.944 -9.079 1.00 0.00 N ATOM 786 CA VAL A 130 2.407 7.712 -10.277 1.00 0.00 C ATOM 787 C VAL A 130 2.752 9.167 -10.059 1.00 0.00 C ATOM 788 O VAL A 130 3.296 9.851 -10.936 1.00 0.00 O ATOM 789 CB VAL A 130 0.857 7.568 -10.585 1.00 0.00 C ATOM 790 CG1 VAL A 130 0.584 6.875 -11.954 1.00 0.00 C ATOM 791 CG2 VAL A 130 0.166 6.747 -9.439 1.00 0.00 C ATOM 0 H VAL A 130 1.893 6.949 -8.431 1.00 0.00 H new ATOM 0 HA VAL A 130 3.007 7.345 -11.110 1.00 0.00 H new ATOM 0 HB VAL A 130 0.442 8.575 -10.637 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -0.491 6.801 -12.116 1.00 0.00 H new ATOM 0 HG12 VAL A 130 1.032 7.463 -12.755 1.00 0.00 H new ATOM 0 HG13 VAL A 130 1.020 5.876 -11.949 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -0.898 6.649 -9.652 1.00 0.00 H new ATOM 0 HG22 VAL A 130 0.616 5.756 -9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 130 0.300 7.265 -8.489 1.00 0.00 H new ATOM 801 N ASP A 131 2.506 9.634 -8.872 1.00 0.00 N ATOM 802 CA ASP A 131 2.838 10.995 -8.558 1.00 0.00 C ATOM 803 C ASP A 131 4.220 10.993 -7.983 1.00 0.00 C ATOM 804 O ASP A 131 4.746 12.032 -7.598 1.00 0.00 O ATOM 805 CB ASP A 131 1.847 11.565 -7.550 1.00 0.00 C ATOM 806 CG ASP A 131 0.421 11.448 -8.078 1.00 0.00 C ATOM 807 OD1 ASP A 131 0.139 12.051 -9.101 1.00 0.00 O ATOM 808 OD2 ASP A 131 -0.366 10.753 -7.453 1.00 0.00 O ATOM 0 H ASP A 131 2.082 9.102 -8.112 1.00 0.00 H new ATOM 0 HA ASP A 131 2.793 11.617 -9.452 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.935 11.032 -6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 131 2.083 12.610 -7.351 1.00 0.00 H new ATOM 813 N GLY A 132 4.802 9.793 -7.948 1.00 0.00 N ATOM 814 CA GLY A 132 6.143 9.619 -7.428 1.00 0.00 C ATOM 815 C GLY A 132 6.260 10.136 -5.987 1.00 0.00 C ATOM 816 O GLY A 132 7.326 10.056 -5.381 1.00 0.00 O ATOM 0 H GLY A 132 4.360 8.934 -8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 132 6.412 8.563 -7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 132 6.852 10.148 -8.064 1.00 0.00 H new ATOM 820 N ASP A 133 5.163 10.692 -5.456 1.00 0.00 N ATOM 821 CA ASP A 133 5.165 11.250 -4.096 1.00 0.00 C ATOM 822 C ASP A 133 5.881 10.328 -3.109 1.00 0.00 C ATOM 823 O ASP A 133 6.302 10.766 -2.038 1.00 0.00 O ATOM 824 CB ASP A 133 3.734 11.489 -3.608 1.00 0.00 C ATOM 825 CG ASP A 133 2.960 10.186 -3.627 1.00 0.00 C ATOM 826 OD1 ASP A 133 3.443 9.245 -4.231 1.00 0.00 O ATOM 827 OD2 ASP A 133 1.886 10.151 -3.050 1.00 0.00 O ATOM 0 H ASP A 133 4.269 10.768 -5.942 1.00 0.00 H new ATOM 0 HA ASP A 133 5.701 12.198 -4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 133 3.748 11.899 -2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.241 12.224 -4.244 1.00 0.00 H new ATOM 832 N GLY A 134 6.022 9.056 -3.469 1.00 0.00 N ATOM 833 CA GLY A 134 6.694 8.081 -2.606 1.00 0.00 C ATOM 834 C GLY A 134 5.697 7.365 -1.703 1.00 0.00 C ATOM 835 O GLY A 134 6.065 6.490 -0.919 1.00 0.00 O ATOM 0 H GLY A 134 5.681 8.673 -4.351 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.222 7.351 -3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.443 8.586 -1.996 1.00 0.00 H new ATOM 839 N GLN A 135 4.429 7.739 -1.830 1.00 0.00 N ATOM 840 CA GLN A 135 3.363 7.137 -1.040 1.00 0.00 C ATOM 841 C GLN A 135 2.174 6.872 -1.927 1.00 0.00 C ATOM 842 O GLN A 135 1.995 7.528 -2.955 1.00 0.00 O ATOM 843 CB GLN A 135 2.912 8.071 0.078 1.00 0.00 C ATOM 844 CG GLN A 135 4.059 8.340 1.039 1.00 0.00 C ATOM 845 CD GLN A 135 4.491 7.042 1.699 1.00 0.00 C ATOM 846 OE1 GLN A 135 3.684 6.389 2.356 1.00 0.00 O ATOM 847 NE2 GLN A 135 5.718 6.625 1.552 1.00 0.00 N ATOM 0 H GLN A 135 4.113 8.461 -2.477 1.00 0.00 H new ATOM 0 HA GLN A 135 3.747 6.213 -0.608 1.00 0.00 H new ATOM 0 HB2 GLN A 135 2.556 9.010 -0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 135 2.075 7.627 0.616 1.00 0.00 H new ATOM 0 HG2 GLN A 135 4.898 8.783 0.503 1.00 0.00 H new ATOM 0 HG3 GLN A 135 3.749 9.059 1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 135 6.381 7.174 1.005 1.00 0.00 H new ATOM 0 HE22 GLN A 135 6.015 5.750 1.984 1.00 0.00 H new ATOM 856 N ILE A 136 1.363 5.906 -1.533 1.00 0.00 N ATOM 857 CA ILE A 136 0.185 5.552 -2.304 1.00 0.00 C ATOM 858 C ILE A 136 -1.057 5.894 -1.503 1.00 0.00 C ATOM 859 O ILE A 136 -1.286 5.338 -0.430 1.00 0.00 O ATOM 860 CB ILE A 136 0.227 4.055 -2.616 1.00 0.00 C ATOM 861 CG1 ILE A 136 1.537 3.735 -3.356 1.00 0.00 C ATOM 862 CG2 ILE A 136 -0.962 3.686 -3.504 1.00 0.00 C ATOM 863 CD1 ILE A 136 1.792 2.232 -3.326 1.00 0.00 C ATOM 0 H ILE A 136 1.498 5.354 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 136 0.163 6.110 -3.240 1.00 0.00 H new ATOM 0 HB ILE A 136 0.177 3.483 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 136 1.477 4.083 -4.387 1.00 0.00 H new ATOM 0 HG13 ILE A 136 2.368 4.264 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -0.933 2.619 -3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -1.891 3.923 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -0.911 4.252 -4.434 1.00 0.00 H new ATOM 0 HD11 ILE A 136 2.721 2.010 -3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 136 1.871 1.897 -2.292 1.00 0.00 H new ATOM 0 HD13 ILE A 136 0.967 1.713 -3.813 1.00 0.00 H new ATOM 875 N ASN A 137 -1.870 6.796 -2.037 1.00 0.00 N ATOM 876 CA ASN A 137 -3.098 7.186 -1.366 1.00 0.00 C ATOM 877 C ASN A 137 -4.178 6.172 -1.711 1.00 0.00 C ATOM 878 O ASN A 137 -3.968 5.314 -2.567 1.00 0.00 O ATOM 879 CB ASN A 137 -3.516 8.588 -1.812 1.00 0.00 C ATOM 880 CG ASN A 137 -4.778 9.021 -1.075 1.00 0.00 C ATOM 881 OD1 ASN A 137 -5.885 8.864 -1.590 1.00 0.00 O ATOM 882 ND2 ASN A 137 -4.678 9.562 0.110 1.00 0.00 N ATOM 0 H ASN A 137 -1.701 7.267 -2.926 1.00 0.00 H new ATOM 0 HA ASN A 137 -2.946 7.206 -0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -2.710 9.295 -1.615 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -3.693 8.598 -2.888 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.518 9.855 0.609 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -3.760 9.692 0.536 1.00 0.00 H new ATOM 889 N TYR A 138 -5.318 6.245 -1.047 1.00 0.00 N ATOM 890 CA TYR A 138 -6.378 5.287 -1.324 1.00 0.00 C ATOM 891 C TYR A 138 -6.811 5.350 -2.788 1.00 0.00 C ATOM 892 O TYR A 138 -6.898 4.322 -3.454 1.00 0.00 O ATOM 893 CB TYR A 138 -7.589 5.550 -0.427 1.00 0.00 C ATOM 894 CG TYR A 138 -8.701 4.613 -0.840 1.00 0.00 C ATOM 895 CD1 TYR A 138 -8.534 3.236 -0.686 1.00 0.00 C ATOM 896 CD2 TYR A 138 -9.876 5.117 -1.410 1.00 0.00 C ATOM 897 CE1 TYR A 138 -9.539 2.359 -1.091 1.00 0.00 C ATOM 898 CE2 TYR A 138 -10.884 4.238 -1.822 1.00 0.00 C ATOM 899 CZ TYR A 138 -10.715 2.857 -1.661 1.00 0.00 C ATOM 900 OH TYR A 138 -11.709 1.988 -2.067 1.00 0.00 O ATOM 0 H TYR A 138 -5.533 6.938 -0.330 1.00 0.00 H new ATOM 0 HA TYR A 138 -5.982 4.293 -1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.328 5.391 0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.912 6.587 -0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.624 2.849 -0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -10.004 6.182 -1.532 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -9.409 1.294 -0.965 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -11.791 4.624 -2.263 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.349 1.078 -2.113 1.00 0.00 H new ATOM 910 N GLU A 139 -7.087 6.551 -3.287 1.00 0.00 N ATOM 911 CA GLU A 139 -7.525 6.700 -4.673 1.00 0.00 C ATOM 912 C GLU A 139 -6.578 5.956 -5.599 1.00 0.00 C ATOM 913 O GLU A 139 -6.995 5.204 -6.479 1.00 0.00 O ATOM 914 CB GLU A 139 -7.573 8.185 -5.051 1.00 0.00 C ATOM 915 CG GLU A 139 -6.163 8.788 -5.024 1.00 0.00 C ATOM 916 CD GLU A 139 -6.251 10.311 -4.985 1.00 0.00 C ATOM 917 OE1 GLU A 139 -7.117 10.815 -4.287 1.00 0.00 O ATOM 918 OE2 GLU A 139 -5.458 10.952 -5.655 1.00 0.00 O ATOM 0 H GLU A 139 -7.017 7.423 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 139 -8.524 6.278 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -8.006 8.300 -6.045 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.219 8.723 -4.357 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.619 8.424 -4.153 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -5.605 8.470 -5.904 1.00 0.00 H new ATOM 925 N GLU A 140 -5.298 6.185 -5.388 1.00 0.00 N ATOM 926 CA GLU A 140 -4.258 5.555 -6.180 1.00 0.00 C ATOM 927 C GLU A 140 -4.209 4.061 -5.910 1.00 0.00 C ATOM 928 O GLU A 140 -4.014 3.257 -6.821 1.00 0.00 O ATOM 929 CB GLU A 140 -2.932 6.187 -5.798 1.00 0.00 C ATOM 930 CG GLU A 140 -1.789 5.599 -6.625 1.00 0.00 C ATOM 931 CD GLU A 140 -0.533 6.398 -6.332 1.00 0.00 C ATOM 932 OE1 GLU A 140 -0.620 7.606 -6.456 1.00 0.00 O ATOM 933 OE2 GLU A 140 0.493 5.809 -6.011 1.00 0.00 O ATOM 0 H GLU A 140 -4.948 6.812 -4.664 1.00 0.00 H new ATOM 0 HA GLU A 140 -4.464 5.700 -7.241 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -2.981 7.265 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.740 6.025 -4.737 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.639 4.549 -6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.028 5.642 -7.688 1.00 0.00 H new ATOM 940 N PHE A 141 -4.414 3.702 -4.653 1.00 0.00 N ATOM 941 CA PHE A 141 -4.412 2.304 -4.272 1.00 0.00 C ATOM 942 C PHE A 141 -5.519 1.604 -5.037 1.00 0.00 C ATOM 943 O PHE A 141 -5.344 0.500 -5.553 1.00 0.00 O ATOM 944 CB PHE A 141 -4.635 2.158 -2.762 1.00 0.00 C ATOM 945 CG PHE A 141 -4.121 0.813 -2.295 1.00 0.00 C ATOM 946 CD1 PHE A 141 -2.745 0.567 -2.287 1.00 0.00 C ATOM 947 CD2 PHE A 141 -5.011 -0.179 -1.854 1.00 0.00 C ATOM 948 CE1 PHE A 141 -2.255 -0.662 -1.845 1.00 0.00 C ATOM 949 CE2 PHE A 141 -4.518 -1.406 -1.406 1.00 0.00 C ATOM 950 CZ PHE A 141 -3.139 -1.648 -1.401 1.00 0.00 C ATOM 0 H PHE A 141 -4.582 4.355 -3.887 1.00 0.00 H new ATOM 0 HA PHE A 141 -3.448 1.855 -4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.121 2.959 -2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -5.696 2.252 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.059 1.330 -2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.075 0.007 -1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -1.192 -0.851 -1.846 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -5.201 -2.169 -1.063 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.759 -2.597 -1.054 1.00 0.00 H new ATOM 960 N VAL A 142 -6.656 2.281 -5.115 1.00 0.00 N ATOM 961 CA VAL A 142 -7.801 1.753 -5.829 1.00 0.00 C ATOM 962 C VAL A 142 -7.436 1.533 -7.296 1.00 0.00 C ATOM 963 O VAL A 142 -7.757 0.491 -7.868 1.00 0.00 O ATOM 964 CB VAL A 142 -8.987 2.723 -5.705 1.00 0.00 C ATOM 965 CG1 VAL A 142 -10.094 2.328 -6.680 1.00 0.00 C ATOM 966 CG2 VAL A 142 -9.542 2.676 -4.278 1.00 0.00 C ATOM 0 H VAL A 142 -6.806 3.197 -4.691 1.00 0.00 H new ATOM 0 HA VAL A 142 -8.090 0.796 -5.394 1.00 0.00 H new ATOM 0 HB VAL A 142 -8.642 3.730 -5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -10.929 3.022 -6.583 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -9.710 2.362 -7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -10.434 1.317 -6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -10.383 3.364 -4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -9.877 1.664 -4.051 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -8.762 2.966 -3.574 1.00 0.00 H new ATOM 976 N LYS A 143 -6.758 2.505 -7.904 1.00 0.00 N ATOM 977 CA LYS A 143 -6.361 2.368 -9.301 1.00 0.00 C ATOM 978 C LYS A 143 -5.386 1.200 -9.475 1.00 0.00 C ATOM 979 O LYS A 143 -5.520 0.409 -10.411 1.00 0.00 O ATOM 980 CB LYS A 143 -5.699 3.657 -9.807 1.00 0.00 C ATOM 981 CG LYS A 143 -6.746 4.774 -9.920 1.00 0.00 C ATOM 982 CD LYS A 143 -6.147 5.990 -10.646 1.00 0.00 C ATOM 983 CE LYS A 143 -5.179 6.739 -9.726 1.00 0.00 C ATOM 984 NZ LYS A 143 -4.773 8.020 -10.373 1.00 0.00 N ATOM 0 H LYS A 143 -6.477 3.379 -7.460 1.00 0.00 H new ATOM 0 HA LYS A 143 -7.262 2.174 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 143 -4.904 3.960 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 143 -5.236 3.481 -10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 143 -7.619 4.411 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 143 -7.086 5.066 -8.926 1.00 0.00 H new ATOM 0 HD2 LYS A 143 -5.625 5.663 -11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 143 -6.945 6.659 -10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 143 -5.654 6.938 -8.765 1.00 0.00 H new ATOM 0 HE3 LYS A 143 -4.301 6.125 -9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 -4.115 8.531 -9.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 -4.305 7.818 -11.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 -5.615 8.606 -10.542 1.00 0.00 H new ATOM 998 N VAL A 144 -4.405 1.093 -8.575 1.00 0.00 N ATOM 999 CA VAL A 144 -3.426 0.016 -8.646 1.00 0.00 C ATOM 1000 C VAL A 144 -4.072 -1.334 -8.324 1.00 0.00 C ATOM 1001 O VAL A 144 -3.825 -2.334 -9.001 1.00 0.00 O ATOM 1002 CB VAL A 144 -2.295 0.300 -7.646 1.00 0.00 C ATOM 1003 CG1 VAL A 144 -1.246 -0.813 -7.727 1.00 0.00 C ATOM 1004 CG2 VAL A 144 -1.650 1.676 -7.938 1.00 0.00 C ATOM 0 H VAL A 144 -4.272 1.737 -7.795 1.00 0.00 H new ATOM 0 HA VAL A 144 -3.028 -0.031 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 144 -2.708 0.325 -6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 144 -0.444 -0.610 -7.017 1.00 0.00 H new ATOM 0 HG12 VAL A 144 -1.711 -1.769 -7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 144 -0.835 -0.853 -8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 144 -0.851 1.863 -7.221 1.00 0.00 H new ATOM 0 HG22 VAL A 144 -1.240 1.679 -8.948 1.00 0.00 H new ATOM 0 HG23 VAL A 144 -2.405 2.457 -7.851 1.00 0.00 H new ATOM 1014 N MET A 145 -4.897 -1.351 -7.278 1.00 0.00 N ATOM 1015 CA MET A 145 -5.579 -2.575 -6.856 1.00 0.00 C ATOM 1016 C MET A 145 -6.592 -3.033 -7.901 1.00 0.00 C ATOM 1017 O MET A 145 -6.719 -4.228 -8.172 1.00 0.00 O ATOM 1018 CB MET A 145 -6.287 -2.337 -5.515 1.00 0.00 C ATOM 1019 CG MET A 145 -5.276 -2.339 -4.376 1.00 0.00 C ATOM 1020 SD MET A 145 -4.585 -4.007 -4.166 1.00 0.00 S ATOM 1021 CE MET A 145 -2.863 -3.630 -4.587 1.00 0.00 C ATOM 0 H MET A 145 -5.110 -0.533 -6.708 1.00 0.00 H new ATOM 0 HA MET A 145 -4.831 -3.360 -6.743 1.00 0.00 H new ATOM 0 HB2 MET A 145 -6.816 -1.384 -5.539 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.035 -3.112 -5.348 1.00 0.00 H new ATOM 0 HG2 MET A 145 -4.477 -1.628 -4.586 1.00 0.00 H new ATOM 0 HG3 MET A 145 -5.755 -2.015 -3.452 1.00 0.00 H new ATOM 0 HE1 MET A 145 -2.231 -4.481 -4.331 1.00 0.00 H new ATOM 0 HE2 MET A 145 -2.785 -3.428 -5.655 1.00 0.00 H new ATOM 0 HE3 MET A 145 -2.535 -2.754 -4.028 1.00 0.00 H new ATOM 1031 N MET A 146 -7.317 -2.082 -8.482 1.00 0.00 N ATOM 1032 CA MET A 146 -8.317 -2.411 -9.489 1.00 0.00 C ATOM 1033 C MET A 146 -7.656 -2.991 -10.737 1.00 0.00 C ATOM 1034 O MET A 146 -8.136 -3.972 -11.305 1.00 0.00 O ATOM 1035 CB MET A 146 -9.118 -1.160 -9.859 1.00 0.00 C ATOM 1036 CG MET A 146 -10.213 -1.527 -10.866 1.00 0.00 C ATOM 1037 SD MET A 146 -11.217 -0.064 -11.225 1.00 0.00 S ATOM 1038 CE MET A 146 -10.202 0.585 -12.575 1.00 0.00 C ATOM 0 H MET A 146 -7.232 -1.087 -8.275 1.00 0.00 H new ATOM 0 HA MET A 146 -8.991 -3.160 -9.073 1.00 0.00 H new ATOM 0 HB2 MET A 146 -9.564 -0.724 -8.965 1.00 0.00 H new ATOM 0 HB3 MET A 146 -8.457 -0.406 -10.285 1.00 0.00 H new ATOM 0 HG2 MET A 146 -9.765 -1.908 -11.784 1.00 0.00 H new ATOM 0 HG3 MET A 146 -10.841 -2.322 -10.463 1.00 0.00 H new ATOM 0 HE1 MET A 146 -10.646 1.506 -12.954 1.00 0.00 H new ATOM 0 HE2 MET A 146 -9.197 0.791 -12.208 1.00 0.00 H new ATOM 0 HE3 MET A 146 -10.151 -0.150 -13.378 1.00 0.00 H new ATOM 1048 N ALA A 147 -6.549 -2.378 -11.161 1.00 0.00 N ATOM 1049 CA ALA A 147 -5.822 -2.837 -12.350 1.00 0.00 C ATOM 1050 C ALA A 147 -4.534 -3.551 -11.951 1.00 0.00 C ATOM 1051 O ALA A 147 -4.551 -4.726 -11.586 1.00 0.00 O ATOM 1052 CB ALA A 147 -5.485 -1.640 -13.239 1.00 0.00 C ATOM 0 H ALA A 147 -6.136 -1.566 -10.702 1.00 0.00 H new ATOM 0 HA ALA A 147 -6.456 -3.536 -12.896 1.00 0.00 H new ATOM 0 HB1 ALA A 147 -4.945 -1.983 -14.122 1.00 0.00 H new ATOM 0 HB2 ALA A 147 -6.406 -1.145 -13.547 1.00 0.00 H new ATOM 0 HB3 ALA A 147 -4.863 -0.938 -12.683 1.00 0.00 H new ATOM 1058 N LYS A 148 -3.418 -2.830 -12.023 1.00 0.00 N ATOM 1059 CA LYS A 148 -2.121 -3.397 -11.670 1.00 0.00 C ATOM 1060 C LYS A 148 -1.145 -2.289 -11.288 1.00 0.00 C ATOM 1061 O LYS A 148 -0.303 -2.534 -10.438 1.00 0.00 O ATOM 1062 CB LYS A 148 -1.558 -4.192 -12.850 1.00 0.00 C ATOM 1063 CG LYS A 148 -0.262 -4.884 -12.425 1.00 0.00 C ATOM 1064 CD LYS A 148 0.279 -5.723 -13.586 1.00 0.00 C ATOM 1065 CE LYS A 148 1.569 -6.426 -13.154 1.00 0.00 C ATOM 1066 NZ LYS A 148 1.259 -7.416 -12.082 1.00 0.00 N ATOM 1067 OXT LYS A 148 -1.251 -1.213 -11.852 1.00 0.00 O ATOM 0 H LYS A 148 -3.386 -1.855 -12.322 1.00 0.00 H new ATOM 0 HA LYS A 148 -2.254 -4.063 -10.817 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -2.285 -4.932 -13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -1.369 -3.528 -13.693 1.00 0.00 H new ATOM 0 HG2 LYS A 148 0.477 -4.141 -12.125 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -0.445 -5.519 -11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -0.464 -6.460 -13.892 1.00 0.00 H new ATOM 0 HD3 LYS A 148 0.471 -5.086 -14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 148 2.026 -6.928 -14.007 1.00 0.00 H new ATOM 0 HE3 LYS A 148 2.291 -5.694 -12.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 2.026 -8.115 -12.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 1.168 -6.924 -11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 0.366 -7.900 -12.304 1.00 0.00 H new TER 1081 LYS A 148 HETATM 1082 CA CA A 221 1.084 6.446 5.924 1.00 0.00 CA HETATM 1083 CA CA A 234 1.034 8.937 -5.252 1.00 0.00 CA