USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 25 CYS SG : rot 180:sc= 0.38 USER MOD Set 2.1: A 19 GLN : amide:sc= 0.915 K(o=1.6,f=0.85) USER MOD Set 2.2: A 72 GLN : amide:sc= 0.639 K(o=1.6,f=0.85) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc=-0.00804 USER MOD Set 3.2: A 54 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.06 USER MOD Single : A 12 CYS SG : rot -81:sc=-0.00559 USER MOD Single : A 20 MET CE :methyl 172:sc= -1.61 (180deg=-1.8!) USER MOD Single : A 21 THR OG1 : rot -24:sc= 0.112 USER MOD Single : A 23 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.26) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= 0.81 (180deg=-0.0388!) USER MOD Single : A 32 SER OG : rot -158:sc= 1.12 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0795 X(o=-0.08,f=-0.085) USER MOD Single : A 45 HIS : no HD1:sc= -0.0872 X(o=-0.087,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.85) USER MOD Single : A 50 MET CE :methyl -164:sc= -0.275 (180deg=-0.481) USER MOD Single : A 55 THR OG1 : rot 47:sc= 1.74 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0237 USER MOD Single : A 60 GLN : amide:sc= -1.82! C(o=-1.8!,f=-1.3!) USER MOD Single : A 63 GLN : amide:sc= 0.671 K(o=0.67,f=-0.056) USER MOD Single : A 69 THR OG1 : rot -51:sc= 1.11 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc=-0.00507 (180deg=-0.00507) USER MOD ----------------------------------------------------------------- ATOM 8 N THR A 10 -6.896 5.030 14.235 1.00 0.80 N ATOM 9 CA THR A 10 -5.917 6.106 14.403 1.00 0.60 C ATOM 10 C THR A 10 -4.644 5.822 13.597 1.00 0.54 C ATOM 11 O THR A 10 -4.496 4.761 12.989 1.00 0.47 O ATOM 12 CB THR A 10 -5.652 6.374 15.883 1.00 0.67 C ATOM 13 OG1 THR A 10 -4.971 7.601 16.004 1.00 0.67 O ATOM 14 CG2 THR A 10 -4.841 5.289 16.583 1.00 0.91 C ATOM 0 HA THR A 10 -6.332 7.028 13.996 1.00 0.60 H new ATOM 0 HB THR A 10 -6.625 6.392 16.373 1.00 0.67 H new ATOM 0 HG1 THR A 10 -4.796 7.786 16.950 1.00 0.67 H new ATOM 0 HG21 THR A 10 -4.699 5.559 17.629 1.00 0.91 H new ATOM 0 HG22 THR A 10 -5.374 4.340 16.522 1.00 0.91 H new ATOM 0 HG23 THR A 10 -3.869 5.191 16.099 1.00 0.91 H new ATOM 22 N LEU A 11 -3.762 6.809 13.482 1.00 0.66 N ATOM 23 CA LEU A 11 -2.707 6.860 12.492 1.00 0.65 C ATOM 24 C LEU A 11 -1.489 6.001 12.818 1.00 0.64 C ATOM 25 O LEU A 11 -0.935 6.062 13.918 1.00 0.70 O ATOM 26 CB LEU A 11 -2.358 8.337 12.271 1.00 0.67 C ATOM 27 CG LEU A 11 -3.134 8.892 11.070 1.00 1.24 C ATOM 28 CD1 LEU A 11 -3.249 10.407 11.087 1.00 3.06 C ATOM 29 CD2 LEU A 11 -2.505 8.437 9.748 1.00 1.04 C ATOM 0 H LEU A 11 -3.767 7.621 14.100 1.00 0.66 H new ATOM 0 HA LEU A 11 -3.072 6.412 11.567 1.00 0.65 H new ATOM 0 HB2 LEU A 11 -2.598 8.912 13.165 1.00 0.67 H new ATOM 0 HB3 LEU A 11 -1.287 8.443 12.101 1.00 0.67 H new ATOM 0 HG LEU A 11 -4.142 8.486 11.152 1.00 1.24 H new ATOM 0 HD11 LEU A 11 -3.808 10.739 10.212 1.00 3.06 H new ATOM 0 HD12 LEU A 11 -3.769 10.722 11.992 1.00 3.06 H new ATOM 0 HD13 LEU A 11 -2.252 10.848 11.069 1.00 3.06 H new ATOM 0 HD21 LEU A 11 -3.076 8.845 8.914 1.00 1.04 H new ATOM 0 HD22 LEU A 11 -1.476 8.793 9.693 1.00 1.04 H new ATOM 0 HD23 LEU A 11 -2.515 7.348 9.696 1.00 1.04 H new ATOM 41 N CYS A 12 -1.083 5.213 11.826 1.00 0.59 N ATOM 42 CA CYS A 12 0.160 4.455 11.790 1.00 0.76 C ATOM 43 C CYS A 12 0.581 4.208 10.335 1.00 0.58 C ATOM 44 O CYS A 12 -0.243 4.259 9.420 1.00 0.43 O ATOM 45 CB CYS A 12 -0.042 3.120 12.503 1.00 1.12 C ATOM 46 SG CYS A 12 1.551 2.459 13.068 1.00 3.02 S ATOM 0 H CYS A 12 -1.642 5.081 10.983 1.00 0.59 H new ATOM 0 HA CYS A 12 0.944 5.022 12.293 1.00 0.76 H new ATOM 0 HB2 CYS A 12 -0.711 3.252 13.354 1.00 1.12 H new ATOM 0 HB3 CYS A 12 -0.520 2.409 11.829 1.00 1.12 H new ATOM 0 HG CYS A 12 2.148 1.862 12.080 1.00 3.02 H new ATOM 52 N THR A 13 1.856 3.895 10.132 1.00 0.69 N ATOM 53 CA THR A 13 2.334 3.239 8.906 1.00 0.45 C ATOM 54 C THR A 13 1.993 1.752 8.953 1.00 0.38 C ATOM 55 O THR A 13 2.313 1.088 9.938 1.00 0.59 O ATOM 56 CB THR A 13 3.859 3.331 8.778 1.00 0.53 C ATOM 57 OG1 THR A 13 4.330 4.646 8.957 1.00 0.74 O ATOM 58 CG2 THR A 13 4.390 2.810 7.440 1.00 0.54 C ATOM 0 H THR A 13 2.594 4.087 10.810 1.00 0.69 H new ATOM 0 HA THR A 13 1.854 3.742 8.066 1.00 0.45 H new ATOM 0 HB THR A 13 4.236 2.690 9.575 1.00 0.53 H new ATOM 0 HG1 THR A 13 5.306 4.659 8.869 1.00 0.74 H new ATOM 0 HG21 THR A 13 5.476 2.905 7.418 1.00 0.54 H new ATOM 0 HG22 THR A 13 4.115 1.762 7.323 1.00 0.54 H new ATOM 0 HG23 THR A 13 3.958 3.392 6.626 1.00 0.54 H new ATOM 66 N LEU A 14 1.487 1.189 7.860 1.00 0.27 N ATOM 67 CA LEU A 14 1.562 -0.253 7.600 1.00 0.42 C ATOM 68 C LEU A 14 2.435 -0.565 6.393 1.00 0.27 C ATOM 69 O LEU A 14 2.571 0.247 5.481 1.00 0.36 O ATOM 70 CB LEU A 14 0.171 -0.856 7.483 1.00 0.69 C ATOM 71 CG LEU A 14 -0.465 -0.975 8.883 1.00 1.07 C ATOM 72 CD1 LEU A 14 -1.872 -0.469 8.751 1.00 0.91 C ATOM 73 CD2 LEU A 14 -0.522 -2.402 9.421 1.00 2.87 C ATOM 0 H LEU A 14 1.012 1.716 7.127 1.00 0.27 H new ATOM 0 HA LEU A 14 2.046 -0.724 8.455 1.00 0.42 H new ATOM 0 HB2 LEU A 14 -0.453 -0.233 6.842 1.00 0.69 H new ATOM 0 HB3 LEU A 14 0.229 -1.839 7.015 1.00 0.69 H new ATOM 0 HG LEU A 14 0.148 -0.408 9.584 1.00 1.07 H new ATOM 0 HD11 LEU A 14 -2.373 -0.530 9.717 1.00 0.91 H new ATOM 0 HD12 LEU A 14 -1.856 0.568 8.416 1.00 0.91 H new ATOM 0 HD13 LEU A 14 -2.411 -1.077 8.024 1.00 0.91 H new ATOM 0 HD21 LEU A 14 -0.982 -2.400 10.409 1.00 2.87 H new ATOM 0 HD22 LEU A 14 -1.113 -3.022 8.746 1.00 2.87 H new ATOM 0 HD23 LEU A 14 0.488 -2.805 9.492 1.00 2.87 H new ATOM 85 N GLU A 15 3.010 -1.759 6.434 1.00 0.28 N ATOM 86 CA GLU A 15 4.018 -2.279 5.495 1.00 0.36 C ATOM 87 C GLU A 15 3.527 -3.554 4.788 1.00 0.42 C ATOM 88 O GLU A 15 3.422 -4.616 5.400 1.00 0.70 O ATOM 89 CB GLU A 15 5.352 -2.570 6.217 1.00 0.54 C ATOM 90 CG GLU A 15 5.966 -1.343 6.902 1.00 0.91 C ATOM 91 CD GLU A 15 7.443 -1.546 7.276 1.00 1.08 C ATOM 92 OE1 GLU A 15 7.799 -2.553 7.939 1.00 1.74 O ATOM 93 OE2 GLU A 15 8.269 -0.654 6.973 1.00 2.11 O ATOM 0 H GLU A 15 2.779 -2.436 7.161 1.00 0.28 H new ATOM 0 HA GLU A 15 4.181 -1.506 4.744 1.00 0.36 H new ATOM 0 HB2 GLU A 15 5.188 -3.347 6.964 1.00 0.54 H new ATOM 0 HB3 GLU A 15 6.066 -2.967 5.495 1.00 0.54 H new ATOM 0 HG2 GLU A 15 5.879 -0.481 6.240 1.00 0.91 H new ATOM 0 HG3 GLU A 15 5.396 -1.112 7.802 1.00 0.91 H new ATOM 100 N PHE A 16 3.249 -3.476 3.488 1.00 0.33 N ATOM 101 CA PHE A 16 2.781 -4.609 2.678 1.00 0.33 C ATOM 102 C PHE A 16 3.836 -5.060 1.668 1.00 0.31 C ATOM 103 O PHE A 16 4.598 -4.244 1.162 1.00 0.31 O ATOM 104 CB PHE A 16 1.481 -4.249 1.950 1.00 0.34 C ATOM 105 CG PHE A 16 0.273 -4.055 2.843 1.00 0.24 C ATOM 106 CD1 PHE A 16 0.113 -2.849 3.554 1.00 1.57 C ATOM 107 CD2 PHE A 16 -0.723 -5.051 2.915 1.00 1.44 C ATOM 108 CE1 PHE A 16 -1.030 -2.640 4.344 1.00 1.71 C ATOM 109 CE2 PHE A 16 -1.899 -4.807 3.647 1.00 1.33 C ATOM 110 CZ PHE A 16 -2.035 -3.622 4.385 1.00 0.46 C ATOM 0 H PHE A 16 3.343 -2.611 2.955 1.00 0.33 H new ATOM 0 HA PHE A 16 2.594 -5.438 3.360 1.00 0.33 H new ATOM 0 HB2 PHE A 16 1.643 -3.333 1.382 1.00 0.34 H new ATOM 0 HB3 PHE A 16 1.257 -5.036 1.229 1.00 0.34 H new ATOM 0 HD1 PHE A 16 0.871 -2.083 3.492 1.00 1.57 H new ATOM 0 HD2 PHE A 16 -0.583 -5.996 2.411 1.00 1.44 H new ATOM 0 HE1 PHE A 16 -1.136 -1.730 4.916 1.00 1.71 H new ATOM 0 HE2 PHE A 16 -2.698 -5.533 3.641 1.00 1.33 H new ATOM 0 HZ PHE A 16 -2.917 -3.463 4.988 1.00 0.46 H new ATOM 120 N ALA A 17 3.828 -6.344 1.329 1.00 0.41 N ATOM 121 CA ALA A 17 4.620 -6.965 0.273 1.00 0.34 C ATOM 122 C ALA A 17 3.700 -7.356 -0.900 1.00 0.44 C ATOM 123 O ALA A 17 2.606 -7.888 -0.681 1.00 0.54 O ATOM 124 CB ALA A 17 5.342 -8.156 0.904 1.00 0.27 C ATOM 0 H ALA A 17 3.234 -7.019 1.812 1.00 0.41 H new ATOM 0 HA ALA A 17 5.365 -6.288 -0.146 1.00 0.34 H new ATOM 0 HB1 ALA A 17 5.950 -8.655 0.149 1.00 0.27 H new ATOM 0 HB2 ALA A 17 5.983 -7.806 1.713 1.00 0.27 H new ATOM 0 HB3 ALA A 17 4.608 -8.858 1.300 1.00 0.27 H new ATOM 130 N VAL A 18 4.097 -7.038 -2.138 1.00 0.44 N ATOM 131 CA VAL A 18 3.214 -7.064 -3.323 1.00 0.45 C ATOM 132 C VAL A 18 3.942 -7.506 -4.593 1.00 0.46 C ATOM 133 O VAL A 18 5.160 -7.366 -4.704 1.00 0.62 O ATOM 134 CB VAL A 18 2.537 -5.699 -3.555 1.00 0.51 C ATOM 135 CG1 VAL A 18 1.515 -5.298 -2.483 1.00 0.55 C ATOM 136 CG2 VAL A 18 3.560 -4.579 -3.608 1.00 0.56 C ATOM 0 H VAL A 18 5.052 -6.751 -2.354 1.00 0.44 H new ATOM 0 HA VAL A 18 2.447 -7.807 -3.106 1.00 0.45 H new ATOM 0 HB VAL A 18 2.016 -5.831 -4.503 1.00 0.51 H new ATOM 0 HG11 VAL A 18 1.091 -4.325 -2.730 1.00 0.55 H new ATOM 0 HG12 VAL A 18 0.718 -6.041 -2.444 1.00 0.55 H new ATOM 0 HG13 VAL A 18 2.008 -5.243 -1.513 1.00 0.55 H new ATOM 0 HG21 VAL A 18 3.051 -3.629 -3.773 1.00 0.56 H new ATOM 0 HG22 VAL A 18 4.106 -4.540 -2.665 1.00 0.56 H new ATOM 0 HG23 VAL A 18 4.259 -4.763 -4.424 1.00 0.56 H new ATOM 146 N GLN A 19 3.206 -8.019 -5.583 1.00 0.43 N ATOM 147 CA GLN A 19 3.799 -8.398 -6.873 1.00 0.46 C ATOM 148 C GLN A 19 3.946 -7.178 -7.806 1.00 0.35 C ATOM 149 O GLN A 19 3.055 -6.850 -8.595 1.00 0.43 O ATOM 150 CB GLN A 19 2.989 -9.543 -7.511 1.00 0.71 C ATOM 151 CG GLN A 19 3.320 -10.904 -6.872 1.00 1.20 C ATOM 152 CD GLN A 19 2.556 -12.074 -7.497 1.00 1.96 C ATOM 153 OE1 GLN A 19 2.322 -12.157 -8.701 1.00 2.80 O ATOM 154 NE2 GLN A 19 2.104 -13.021 -6.709 1.00 2.79 N ATOM 0 H GLN A 19 2.201 -8.182 -5.518 1.00 0.43 H new ATOM 0 HA GLN A 19 4.810 -8.768 -6.702 1.00 0.46 H new ATOM 0 HB2 GLN A 19 1.924 -9.340 -7.401 1.00 0.71 H new ATOM 0 HB3 GLN A 19 3.197 -9.583 -8.580 1.00 0.71 H new ATOM 0 HG2 GLN A 19 4.390 -11.089 -6.964 1.00 1.20 H new ATOM 0 HG3 GLN A 19 3.094 -10.861 -5.807 1.00 1.20 H new ATOM 0 HE21 GLN A 19 2.283 -12.978 -5.706 1.00 2.79 H new ATOM 0 HE22 GLN A 19 1.574 -13.800 -7.100 1.00 2.79 H new ATOM 163 N MET A 20 5.110 -6.526 -7.737 1.00 0.32 N ATOM 164 CA MET A 20 5.664 -5.655 -8.784 1.00 0.41 C ATOM 165 C MET A 20 7.206 -5.712 -8.816 1.00 0.59 C ATOM 166 O MET A 20 7.830 -6.176 -7.859 1.00 0.80 O ATOM 167 CB MET A 20 5.158 -4.215 -8.611 1.00 0.43 C ATOM 168 CG MET A 20 5.228 -3.706 -7.171 1.00 0.34 C ATOM 169 SD MET A 20 5.003 -1.911 -7.062 1.00 0.56 S ATOM 170 CE MET A 20 4.707 -1.829 -5.289 1.00 0.44 C ATOM 0 H MET A 20 5.717 -6.591 -6.920 1.00 0.32 H new ATOM 0 HA MET A 20 5.313 -6.024 -9.748 1.00 0.41 H new ATOM 0 HB2 MET A 20 5.745 -3.554 -9.249 1.00 0.43 H new ATOM 0 HB3 MET A 20 4.126 -4.158 -8.957 1.00 0.43 H new ATOM 0 HG2 MET A 20 4.462 -4.202 -6.575 1.00 0.34 H new ATOM 0 HG3 MET A 20 6.192 -3.976 -6.739 1.00 0.34 H new ATOM 0 HE1 MET A 20 4.681 -0.786 -4.972 1.00 0.44 H new ATOM 0 HE2 MET A 20 3.753 -2.302 -5.057 1.00 0.44 H new ATOM 0 HE3 MET A 20 5.507 -2.348 -4.762 1.00 0.44 H new ATOM 180 N THR A 21 7.823 -5.286 -9.923 1.00 0.74 N ATOM 181 CA THR A 21 9.287 -5.286 -10.152 1.00 0.98 C ATOM 182 C THR A 21 9.790 -4.194 -11.123 1.00 0.88 C ATOM 183 O THR A 21 10.989 -3.911 -11.112 1.00 1.06 O ATOM 184 CB THR A 21 9.734 -6.696 -10.597 1.00 1.39 C ATOM 185 OG1 THR A 21 11.127 -6.827 -10.810 1.00 2.99 O ATOM 186 CG2 THR A 21 9.032 -7.178 -11.858 1.00 1.15 C ATOM 0 H THR A 21 7.304 -4.916 -10.719 1.00 0.74 H new ATOM 0 HA THR A 21 9.753 -5.029 -9.201 1.00 0.98 H new ATOM 0 HB THR A 21 9.447 -7.315 -9.747 1.00 1.39 H new ATOM 0 HG1 THR A 21 11.512 -5.947 -11.005 1.00 2.99 H new ATOM 0 HG21 THR A 21 9.391 -8.174 -12.116 1.00 1.15 H new ATOM 0 HG22 THR A 21 7.956 -7.214 -11.685 1.00 1.15 H new ATOM 0 HG23 THR A 21 9.245 -6.492 -12.678 1.00 1.15 H new ATOM 194 N CYS A 22 8.921 -3.540 -11.913 1.00 0.75 N ATOM 195 CA CYS A 22 9.297 -2.475 -12.858 1.00 0.72 C ATOM 196 C CYS A 22 8.484 -1.155 -12.698 1.00 0.61 C ATOM 197 O CYS A 22 7.483 -1.096 -11.975 1.00 0.63 O ATOM 198 CB CYS A 22 9.297 -3.089 -14.271 1.00 0.93 C ATOM 199 SG CYS A 22 7.770 -2.900 -15.238 1.00 1.07 S ATOM 0 H CYS A 22 7.921 -3.740 -11.912 1.00 0.75 H new ATOM 0 HA CYS A 22 10.303 -2.119 -12.634 1.00 0.72 H new ATOM 0 HB2 CYS A 22 10.116 -2.644 -14.836 1.00 0.93 H new ATOM 0 HB3 CYS A 22 9.514 -4.153 -14.180 1.00 0.93 H new ATOM 0 HG CYS A 22 7.920 -3.462 -16.400 1.00 1.07 H new ATOM 204 N GLN A 23 8.941 -0.077 -13.357 1.00 0.58 N ATOM 205 CA GLN A 23 8.606 1.322 -13.020 1.00 0.61 C ATOM 206 C GLN A 23 7.144 1.745 -13.247 1.00 0.61 C ATOM 207 O GLN A 23 6.671 2.674 -12.586 1.00 0.66 O ATOM 208 CB GLN A 23 9.541 2.282 -13.772 1.00 0.71 C ATOM 209 CG GLN A 23 10.991 2.223 -13.270 1.00 1.33 C ATOM 210 CD GLN A 23 11.098 2.513 -11.773 1.00 1.27 C ATOM 211 OE1 GLN A 23 10.547 3.481 -11.253 1.00 1.77 O ATOM 212 NE2 GLN A 23 11.743 1.657 -11.016 1.00 1.67 N ATOM 0 H GLN A 23 9.568 -0.153 -14.158 1.00 0.58 H new ATOM 0 HA GLN A 23 8.749 1.381 -11.941 1.00 0.61 H new ATOM 0 HB2 GLN A 23 9.520 2.042 -14.835 1.00 0.71 H new ATOM 0 HB3 GLN A 23 9.167 3.301 -13.668 1.00 0.71 H new ATOM 0 HG2 GLN A 23 11.405 1.236 -13.477 1.00 1.33 H new ATOM 0 HG3 GLN A 23 11.594 2.944 -13.822 1.00 1.33 H new ATOM 0 HE21 GLN A 23 12.204 0.850 -11.437 1.00 1.67 H new ATOM 0 HE22 GLN A 23 11.784 1.798 -10.007 1.00 1.67 H new ATOM 221 N SER A 24 6.401 1.081 -14.131 1.00 0.60 N ATOM 222 CA SER A 24 4.990 1.416 -14.404 1.00 0.63 C ATOM 223 C SER A 24 4.056 1.012 -13.266 1.00 0.56 C ATOM 224 O SER A 24 3.055 1.685 -13.009 1.00 0.66 O ATOM 225 CB SER A 24 4.530 0.727 -15.694 1.00 0.78 C ATOM 226 OG SER A 24 5.536 0.798 -16.695 1.00 1.25 O ATOM 0 H SER A 24 6.752 0.297 -14.681 1.00 0.60 H new ATOM 0 HA SER A 24 4.939 2.500 -14.507 1.00 0.63 H new ATOM 0 HB2 SER A 24 4.290 -0.316 -15.488 1.00 0.78 H new ATOM 0 HB3 SER A 24 3.617 1.199 -16.057 1.00 0.78 H new ATOM 0 HG SER A 24 5.221 0.351 -17.508 1.00 1.25 H new ATOM 232 N CYS A 25 4.411 -0.063 -12.566 1.00 0.49 N ATOM 233 CA CYS A 25 3.608 -0.682 -11.539 1.00 0.45 C ATOM 234 C CYS A 25 3.707 0.100 -10.210 1.00 0.41 C ATOM 235 O CYS A 25 2.712 0.299 -9.530 1.00 0.43 O ATOM 236 CB CYS A 25 4.106 -2.131 -11.503 1.00 0.52 C ATOM 237 SG CYS A 25 3.894 -2.998 -13.091 1.00 0.71 S ATOM 0 H CYS A 25 5.302 -0.538 -12.712 1.00 0.49 H new ATOM 0 HA CYS A 25 2.536 -0.670 -11.734 1.00 0.45 H new ATOM 0 HB2 CYS A 25 5.161 -2.140 -11.229 1.00 0.52 H new ATOM 0 HB3 CYS A 25 3.570 -2.674 -10.725 1.00 0.52 H new ATOM 0 HG CYS A 25 4.339 -4.215 -12.984 1.00 0.71 H new ATOM 242 N VAL A 26 4.891 0.634 -9.907 1.00 0.42 N ATOM 243 CA VAL A 26 5.179 1.608 -8.843 1.00 0.42 C ATOM 244 C VAL A 26 4.148 2.729 -8.831 1.00 0.35 C ATOM 245 O VAL A 26 3.420 2.900 -7.857 1.00 0.35 O ATOM 246 CB VAL A 26 6.575 2.232 -9.060 1.00 0.55 C ATOM 247 CG1 VAL A 26 7.217 2.705 -7.770 1.00 0.65 C ATOM 248 CG2 VAL A 26 7.541 1.236 -9.653 1.00 0.80 C ATOM 0 H VAL A 26 5.731 0.384 -10.429 1.00 0.42 H new ATOM 0 HA VAL A 26 5.144 1.077 -7.892 1.00 0.42 H new ATOM 0 HB VAL A 26 6.396 3.074 -9.729 1.00 0.55 H new ATOM 0 HG11 VAL A 26 8.195 3.134 -7.986 1.00 0.65 H new ATOM 0 HG12 VAL A 26 6.584 3.461 -7.305 1.00 0.65 H new ATOM 0 HG13 VAL A 26 7.333 1.861 -7.090 1.00 0.65 H new ATOM 0 HG21 VAL A 26 8.513 1.710 -9.792 1.00 0.80 H new ATOM 0 HG22 VAL A 26 7.645 0.385 -8.980 1.00 0.80 H new ATOM 0 HG23 VAL A 26 7.164 0.893 -10.616 1.00 0.80 H new ATOM 258 N ASP A 27 4.039 3.437 -9.955 1.00 0.36 N ATOM 259 CA ASP A 27 3.113 4.549 -10.148 1.00 0.40 C ATOM 260 C ASP A 27 1.659 4.098 -10.044 1.00 0.36 C ATOM 261 O ASP A 27 0.827 4.773 -9.439 1.00 0.43 O ATOM 262 CB ASP A 27 3.362 5.130 -11.539 1.00 0.51 C ATOM 263 CG ASP A 27 2.783 6.533 -11.667 1.00 1.09 C ATOM 264 OD1 ASP A 27 3.273 7.449 -10.966 1.00 1.99 O ATOM 265 OD2 ASP A 27 1.844 6.730 -12.475 1.00 2.27 O ATOM 0 H ASP A 27 4.609 3.246 -10.779 1.00 0.36 H new ATOM 0 HA ASP A 27 3.284 5.292 -9.369 1.00 0.40 H new ATOM 0 HB2 ASP A 27 4.434 5.157 -11.737 1.00 0.51 H new ATOM 0 HB3 ASP A 27 2.915 4.480 -12.292 1.00 0.51 H new ATOM 270 N ALA A 28 1.362 2.922 -10.594 1.00 0.34 N ATOM 271 CA ALA A 28 -0.009 2.425 -10.636 1.00 0.36 C ATOM 272 C ALA A 28 -0.511 2.040 -9.240 1.00 0.35 C ATOM 273 O ALA A 28 -1.610 2.430 -8.832 1.00 0.41 O ATOM 274 CB ALA A 28 -0.061 1.255 -11.612 1.00 0.43 C ATOM 0 H ALA A 28 2.051 2.299 -11.015 1.00 0.34 H new ATOM 0 HA ALA A 28 -0.679 3.211 -10.983 1.00 0.36 H new ATOM 0 HB1 ALA A 28 -1.078 0.866 -11.660 1.00 0.43 H new ATOM 0 HB2 ALA A 28 0.245 1.593 -12.602 1.00 0.43 H new ATOM 0 HB3 ALA A 28 0.613 0.468 -11.273 1.00 0.43 H new ATOM 280 N VAL A 29 0.319 1.337 -8.467 1.00 0.33 N ATOM 281 CA VAL A 29 -0.002 0.902 -7.122 1.00 0.41 C ATOM 282 C VAL A 29 -0.008 2.089 -6.160 1.00 0.44 C ATOM 283 O VAL A 29 -0.931 2.183 -5.355 1.00 0.57 O ATOM 284 CB VAL A 29 0.942 -0.237 -6.693 1.00 0.53 C ATOM 285 CG1 VAL A 29 0.527 -0.806 -5.341 1.00 0.64 C ATOM 286 CG2 VAL A 29 0.881 -1.446 -7.638 1.00 0.54 C ATOM 0 H VAL A 29 1.250 1.053 -8.772 1.00 0.33 H new ATOM 0 HA VAL A 29 -1.012 0.492 -7.098 1.00 0.41 H new ATOM 0 HB VAL A 29 1.934 0.215 -6.686 1.00 0.53 H new ATOM 0 HG11 VAL A 29 1.208 -1.609 -5.059 1.00 0.64 H new ATOM 0 HG12 VAL A 29 0.563 -0.019 -4.588 1.00 0.64 H new ATOM 0 HG13 VAL A 29 -0.488 -1.198 -5.407 1.00 0.64 H new ATOM 0 HG21 VAL A 29 1.566 -2.217 -7.287 1.00 0.54 H new ATOM 0 HG22 VAL A 29 -0.134 -1.843 -7.656 1.00 0.54 H new ATOM 0 HG23 VAL A 29 1.167 -1.137 -8.643 1.00 0.54 H new ATOM 296 N ARG A 30 0.907 3.063 -6.315 1.00 0.39 N ATOM 297 CA ARG A 30 0.868 4.347 -5.588 1.00 0.44 C ATOM 298 C ARG A 30 -0.483 5.048 -5.778 1.00 0.51 C ATOM 299 O ARG A 30 -1.068 5.545 -4.816 1.00 0.65 O ATOM 300 CB ARG A 30 1.994 5.273 -6.105 1.00 0.40 C ATOM 301 CG ARG A 30 3.366 4.963 -5.492 1.00 0.38 C ATOM 302 CD ARG A 30 4.539 5.591 -6.270 1.00 0.44 C ATOM 303 NE ARG A 30 5.773 5.667 -5.463 1.00 1.09 N ATOM 304 CZ ARG A 30 6.027 6.450 -4.433 1.00 1.95 C ATOM 305 NH1 ARG A 30 5.195 7.347 -4.002 1.00 3.06 N ATOM 306 NH2 ARG A 30 7.142 6.309 -3.783 1.00 2.50 N ATOM 0 H ARG A 30 1.700 2.982 -6.952 1.00 0.39 H new ATOM 0 HA ARG A 30 1.009 4.140 -4.527 1.00 0.44 H new ATOM 0 HB2 ARG A 30 2.060 5.183 -7.189 1.00 0.40 H new ATOM 0 HB3 ARG A 30 1.732 6.308 -5.887 1.00 0.40 H new ATOM 0 HG2 ARG A 30 3.387 5.324 -4.464 1.00 0.38 H new ATOM 0 HG3 ARG A 30 3.503 3.882 -5.453 1.00 0.38 H new ATOM 0 HD2 ARG A 30 4.731 5.004 -7.168 1.00 0.44 H new ATOM 0 HD3 ARG A 30 4.260 6.593 -6.597 1.00 0.44 H new ATOM 0 HE ARG A 30 6.524 5.034 -5.737 1.00 1.09 H new ATOM 0 HH11 ARG A 30 4.295 7.472 -4.465 1.00 3.06 H new ATOM 0 HH12 ARG A 30 5.441 7.927 -3.200 1.00 3.06 H new ATOM 0 HH21 ARG A 30 7.813 5.597 -4.070 1.00 2.50 H new ATOM 0 HH22 ARG A 30 7.347 6.910 -2.985 1.00 2.50 H new ATOM 320 N LYS A 31 -1.012 5.057 -7.006 1.00 0.47 N ATOM 321 CA LYS A 31 -2.199 5.848 -7.375 1.00 0.51 C ATOM 322 C LYS A 31 -3.537 5.228 -6.967 1.00 0.53 C ATOM 323 O LYS A 31 -4.518 5.955 -6.807 1.00 0.57 O ATOM 324 CB LYS A 31 -2.122 6.226 -8.851 1.00 0.59 C ATOM 325 CG LYS A 31 -1.045 7.309 -8.950 1.00 0.57 C ATOM 326 CD LYS A 31 -0.750 7.776 -10.369 1.00 0.72 C ATOM 327 CE LYS A 31 0.251 8.907 -10.155 1.00 0.75 C ATOM 328 NZ LYS A 31 0.995 9.244 -11.391 1.00 1.10 N ATOM 0 H LYS A 31 -0.629 4.513 -7.779 1.00 0.47 H new ATOM 0 HA LYS A 31 -2.175 6.762 -6.782 1.00 0.51 H new ATOM 0 HB2 LYS A 31 -1.864 5.362 -9.463 1.00 0.59 H new ATOM 0 HB3 LYS A 31 -3.082 6.596 -9.210 1.00 0.59 H new ATOM 0 HG2 LYS A 31 -1.355 8.168 -8.355 1.00 0.57 H new ATOM 0 HG3 LYS A 31 -0.124 6.930 -8.507 1.00 0.57 H new ATOM 0 HD2 LYS A 31 -0.331 6.976 -10.979 1.00 0.72 H new ATOM 0 HD3 LYS A 31 -1.650 8.124 -10.875 1.00 0.72 H new ATOM 0 HE2 LYS A 31 -0.276 9.792 -9.799 1.00 0.75 H new ATOM 0 HE3 LYS A 31 0.957 8.621 -9.376 1.00 0.75 H new ATOM 0 HZ1 LYS A 31 1.928 9.628 -11.140 1.00 1.10 H new ATOM 0 HZ2 LYS A 31 1.117 8.387 -11.967 1.00 1.10 H new ATOM 0 HZ3 LYS A 31 0.463 9.954 -11.934 1.00 1.10 H new ATOM 342 N SER A 32 -3.576 3.921 -6.701 1.00 0.53 N ATOM 343 CA SER A 32 -4.695 3.317 -5.954 1.00 0.54 C ATOM 344 C SER A 32 -4.836 3.930 -4.550 1.00 0.50 C ATOM 345 O SER A 32 -5.941 4.290 -4.134 1.00 0.71 O ATOM 346 CB SER A 32 -4.505 1.803 -5.836 1.00 0.64 C ATOM 347 OG SER A 32 -5.594 1.255 -5.112 1.00 0.96 O ATOM 0 H SER A 32 -2.854 3.260 -6.987 1.00 0.53 H new ATOM 0 HA SER A 32 -5.608 3.526 -6.512 1.00 0.54 H new ATOM 0 HB2 SER A 32 -4.447 1.353 -6.827 1.00 0.64 H new ATOM 0 HB3 SER A 32 -3.566 1.580 -5.329 1.00 0.64 H new ATOM 0 HG SER A 32 -5.330 0.393 -4.727 1.00 0.96 H new ATOM 353 N LEU A 33 -3.709 4.102 -3.848 1.00 0.51 N ATOM 354 CA LEU A 33 -3.648 4.600 -2.468 1.00 0.56 C ATOM 355 C LEU A 33 -3.889 6.111 -2.377 1.00 0.53 C ATOM 356 O LEU A 33 -4.480 6.591 -1.414 1.00 0.58 O ATOM 357 CB LEU A 33 -2.249 4.350 -1.870 1.00 0.61 C ATOM 358 CG LEU A 33 -1.582 2.993 -2.116 1.00 0.42 C ATOM 359 CD1 LEU A 33 -0.071 3.105 -1.920 1.00 0.53 C ATOM 360 CD2 LEU A 33 -2.123 1.915 -1.190 1.00 0.65 C ATOM 0 H LEU A 33 -2.789 3.893 -4.235 1.00 0.51 H new ATOM 0 HA LEU A 33 -4.428 4.066 -1.925 1.00 0.56 H new ATOM 0 HB2 LEU A 33 -1.582 5.122 -2.253 1.00 0.61 H new ATOM 0 HB3 LEU A 33 -2.318 4.495 -0.792 1.00 0.61 H new ATOM 0 HG LEU A 33 -1.808 2.707 -3.143 1.00 0.42 H new ATOM 0 HD11 LEU A 33 0.392 2.134 -2.098 1.00 0.53 H new ATOM 0 HD12 LEU A 33 0.334 3.834 -2.622 1.00 0.53 H new ATOM 0 HD13 LEU A 33 0.141 3.427 -0.900 1.00 0.53 H new ATOM 0 HD21 LEU A 33 -1.622 0.970 -1.400 1.00 0.65 H new ATOM 0 HD22 LEU A 33 -1.941 2.200 -0.154 1.00 0.65 H new ATOM 0 HD23 LEU A 33 -3.195 1.801 -1.352 1.00 0.65 H new ATOM 372 N GLN A 34 -3.386 6.874 -3.349 1.00 0.52 N ATOM 373 CA GLN A 34 -3.242 8.307 -3.239 1.00 0.68 C ATOM 374 C GLN A 34 -4.613 8.989 -3.260 1.00 0.72 C ATOM 375 O GLN A 34 -5.422 8.750 -4.163 1.00 0.71 O ATOM 376 CB GLN A 34 -2.278 8.723 -4.351 1.00 0.82 C ATOM 377 CG GLN A 34 -2.067 10.225 -4.437 1.00 1.06 C ATOM 378 CD GLN A 34 -1.224 10.560 -5.636 1.00 1.25 C ATOM 379 OE1 GLN A 34 -1.723 10.960 -6.682 1.00 1.88 O ATOM 380 NE2 GLN A 34 0.057 10.336 -5.544 1.00 1.13 N ATOM 0 H GLN A 34 -3.066 6.499 -4.242 1.00 0.52 H new ATOM 0 HA GLN A 34 -2.817 8.627 -2.287 1.00 0.68 H new ATOM 0 HB2 GLN A 34 -1.316 8.237 -4.188 1.00 0.82 H new ATOM 0 HB3 GLN A 34 -2.660 8.362 -5.306 1.00 0.82 H new ATOM 0 HG2 GLN A 34 -3.029 10.732 -4.506 1.00 1.06 H new ATOM 0 HG3 GLN A 34 -1.582 10.585 -3.530 1.00 1.06 H new ATOM 0 HE21 GLN A 34 0.455 10.003 -4.666 1.00 1.13 H new ATOM 0 HE22 GLN A 34 0.661 10.493 -6.350 1.00 1.13 H new ATOM 389 N GLY A 35 -4.880 9.811 -2.246 1.00 0.88 N ATOM 390 CA GLY A 35 -6.166 10.492 -2.069 1.00 0.96 C ATOM 391 C GLY A 35 -7.327 9.626 -1.549 1.00 0.74 C ATOM 392 O GLY A 35 -8.481 10.055 -1.643 1.00 0.89 O ATOM 0 H GLY A 35 -4.203 10.027 -1.515 1.00 0.88 H new ATOM 0 HA2 GLY A 35 -6.022 11.322 -1.378 1.00 0.96 H new ATOM 0 HA3 GLY A 35 -6.461 10.922 -3.026 1.00 0.96 H new ATOM 396 N VAL A 36 -7.061 8.429 -1.010 1.00 0.56 N ATOM 397 CA VAL A 36 -8.044 7.572 -0.335 1.00 0.56 C ATOM 398 C VAL A 36 -8.528 8.225 0.958 1.00 0.51 C ATOM 399 O VAL A 36 -7.768 8.821 1.724 1.00 0.47 O ATOM 400 CB VAL A 36 -7.461 6.165 -0.070 1.00 0.66 C ATOM 401 CG1 VAL A 36 -8.245 5.316 0.939 1.00 0.82 C ATOM 402 CG2 VAL A 36 -7.421 5.364 -1.378 1.00 0.83 C ATOM 0 H VAL A 36 -6.128 8.018 -1.032 1.00 0.56 H new ATOM 0 HA VAL A 36 -8.904 7.453 -0.993 1.00 0.56 H new ATOM 0 HB VAL A 36 -6.473 6.354 0.350 1.00 0.66 H new ATOM 0 HG11 VAL A 36 -7.758 4.348 1.057 1.00 0.82 H new ATOM 0 HG12 VAL A 36 -8.273 5.828 1.901 1.00 0.82 H new ATOM 0 HG13 VAL A 36 -9.263 5.168 0.577 1.00 0.82 H new ATOM 0 HG21 VAL A 36 -7.009 4.373 -1.185 1.00 0.83 H new ATOM 0 HG22 VAL A 36 -8.431 5.266 -1.776 1.00 0.83 H new ATOM 0 HG23 VAL A 36 -6.794 5.883 -2.103 1.00 0.83 H new ATOM 412 N ALA A 37 -9.814 8.063 1.216 1.00 0.68 N ATOM 413 CA ALA A 37 -10.460 8.471 2.463 1.00 0.78 C ATOM 414 C ALA A 37 -9.897 7.676 3.667 1.00 0.69 C ATOM 415 O ALA A 37 -10.162 6.480 3.811 1.00 0.76 O ATOM 416 CB ALA A 37 -11.977 8.311 2.301 1.00 1.04 C ATOM 0 H ALA A 37 -10.458 7.634 0.552 1.00 0.68 H new ATOM 0 HA ALA A 37 -10.245 9.519 2.674 1.00 0.78 H new ATOM 0 HB1 ALA A 37 -12.475 8.611 3.223 1.00 1.04 H new ATOM 0 HB2 ALA A 37 -12.324 8.939 1.480 1.00 1.04 H new ATOM 0 HB3 ALA A 37 -12.212 7.269 2.085 1.00 1.04 H new ATOM 422 N GLY A 38 -9.137 8.362 4.530 1.00 0.60 N ATOM 423 CA GLY A 38 -8.413 7.817 5.688 1.00 0.52 C ATOM 424 C GLY A 38 -6.894 7.647 5.507 1.00 0.40 C ATOM 425 O GLY A 38 -6.243 7.064 6.379 1.00 0.37 O ATOM 0 H GLY A 38 -9.003 9.369 4.435 1.00 0.60 H new ATOM 0 HA2 GLY A 38 -8.587 8.471 6.543 1.00 0.52 H new ATOM 0 HA3 GLY A 38 -8.841 6.846 5.937 1.00 0.52 H new ATOM 429 N VAL A 39 -6.297 8.132 4.408 1.00 0.42 N ATOM 430 CA VAL A 39 -4.840 8.114 4.161 1.00 0.40 C ATOM 431 C VAL A 39 -4.233 9.507 4.348 1.00 0.45 C ATOM 432 O VAL A 39 -4.787 10.505 3.887 1.00 0.64 O ATOM 433 CB VAL A 39 -4.519 7.523 2.770 1.00 0.47 C ATOM 434 CG1 VAL A 39 -4.481 8.528 1.610 1.00 1.43 C ATOM 435 CG2 VAL A 39 -3.183 6.777 2.784 1.00 1.41 C ATOM 0 H VAL A 39 -6.823 8.559 3.646 1.00 0.42 H new ATOM 0 HA VAL A 39 -4.378 7.461 4.901 1.00 0.40 H new ATOM 0 HB VAL A 39 -5.359 6.854 2.583 1.00 0.47 H new ATOM 0 HG11 VAL A 39 -4.247 8.005 0.683 1.00 1.43 H new ATOM 0 HG12 VAL A 39 -5.452 9.014 1.518 1.00 1.43 H new ATOM 0 HG13 VAL A 39 -3.716 9.280 1.805 1.00 1.43 H new ATOM 0 HG21 VAL A 39 -2.982 6.371 1.792 1.00 1.41 H new ATOM 0 HG22 VAL A 39 -2.385 7.465 3.063 1.00 1.41 H new ATOM 0 HG23 VAL A 39 -3.229 5.962 3.507 1.00 1.41 H new ATOM 445 N GLN A 40 -3.075 9.583 5.000 1.00 0.37 N ATOM 446 CA GLN A 40 -2.344 10.825 5.244 1.00 0.45 C ATOM 447 C GLN A 40 -1.091 10.948 4.376 1.00 0.48 C ATOM 448 O GLN A 40 -0.843 12.007 3.799 1.00 0.62 O ATOM 449 CB GLN A 40 -1.995 10.871 6.732 1.00 0.57 C ATOM 450 CG GLN A 40 -3.216 11.143 7.607 1.00 0.84 C ATOM 451 CD GLN A 40 -3.822 12.517 7.382 1.00 1.93 C ATOM 452 OE1 GLN A 40 -4.795 12.684 6.658 1.00 3.74 O ATOM 453 NE2 GLN A 40 -3.253 13.540 7.968 1.00 1.78 N ATOM 0 H GLN A 40 -2.607 8.762 5.383 1.00 0.37 H new ATOM 0 HA GLN A 40 -2.972 11.673 4.970 1.00 0.45 H new ATOM 0 HB2 GLN A 40 -1.544 9.923 7.026 1.00 0.57 H new ATOM 0 HB3 GLN A 40 -1.248 11.646 6.904 1.00 0.57 H new ATOM 0 HG2 GLN A 40 -3.972 10.383 7.410 1.00 0.84 H new ATOM 0 HG3 GLN A 40 -2.932 11.046 8.655 1.00 0.84 H new ATOM 0 HE21 GLN A 40 -2.443 13.397 8.570 1.00 1.78 H new ATOM 0 HE22 GLN A 40 -3.620 14.480 7.822 1.00 1.78 H new ATOM 462 N ASP A 41 -0.322 9.870 4.247 1.00 0.42 N ATOM 463 CA ASP A 41 0.854 9.769 3.381 1.00 0.42 C ATOM 464 C ASP A 41 1.044 8.321 2.909 1.00 0.38 C ATOM 465 O ASP A 41 0.504 7.370 3.474 1.00 0.35 O ATOM 466 CB ASP A 41 2.128 10.244 4.108 1.00 0.43 C ATOM 467 CG ASP A 41 2.301 11.767 4.161 1.00 0.73 C ATOM 468 OD1 ASP A 41 2.425 12.392 3.078 1.00 1.64 O ATOM 469 OD2 ASP A 41 2.384 12.349 5.275 1.00 1.72 O ATOM 0 H ASP A 41 -0.506 9.009 4.762 1.00 0.42 H new ATOM 0 HA ASP A 41 0.687 10.415 2.519 1.00 0.42 H new ATOM 0 HB2 ASP A 41 2.115 9.857 5.127 1.00 0.43 H new ATOM 0 HB3 ASP A 41 2.997 9.810 3.613 1.00 0.43 H new ATOM 474 N VAL A 42 1.846 8.152 1.867 1.00 0.42 N ATOM 475 CA VAL A 42 2.196 6.864 1.259 1.00 0.50 C ATOM 476 C VAL A 42 3.621 6.890 0.713 1.00 0.59 C ATOM 477 O VAL A 42 4.162 7.946 0.363 1.00 0.65 O ATOM 478 CB VAL A 42 1.231 6.484 0.116 1.00 0.69 C ATOM 479 CG1 VAL A 42 -0.225 6.400 0.583 1.00 1.12 C ATOM 480 CG2 VAL A 42 1.273 7.388 -1.126 1.00 0.71 C ATOM 0 H VAL A 42 2.293 8.940 1.398 1.00 0.42 H new ATOM 0 HA VAL A 42 2.116 6.116 2.047 1.00 0.50 H new ATOM 0 HB VAL A 42 1.606 5.505 -0.182 1.00 0.69 H new ATOM 0 HG11 VAL A 42 -0.862 6.130 -0.259 1.00 1.12 H new ATOM 0 HG12 VAL A 42 -0.314 5.644 1.363 1.00 1.12 H new ATOM 0 HG13 VAL A 42 -0.537 7.367 0.978 1.00 1.12 H new ATOM 0 HG21 VAL A 42 0.555 7.027 -1.863 1.00 0.71 H new ATOM 0 HG22 VAL A 42 1.019 8.409 -0.842 1.00 0.71 H new ATOM 0 HG23 VAL A 42 2.275 7.369 -1.556 1.00 0.71 H new ATOM 490 N GLU A 43 4.221 5.715 0.575 1.00 0.68 N ATOM 491 CA GLU A 43 5.442 5.474 -0.156 1.00 0.85 C ATOM 492 C GLU A 43 5.385 4.093 -0.823 1.00 1.03 C ATOM 493 O GLU A 43 4.823 3.149 -0.271 1.00 1.35 O ATOM 494 CB GLU A 43 6.569 5.528 0.864 1.00 0.88 C ATOM 495 CG GLU A 43 7.895 5.824 0.208 1.00 1.04 C ATOM 496 CD GLU A 43 8.007 7.292 -0.200 1.00 2.48 C ATOM 497 OE1 GLU A 43 8.179 8.150 0.699 1.00 2.80 O ATOM 498 OE2 GLU A 43 7.881 7.597 -1.411 1.00 4.12 O ATOM 0 H GLU A 43 3.844 4.865 0.994 1.00 0.68 H new ATOM 0 HA GLU A 43 5.593 6.213 -0.943 1.00 0.85 H new ATOM 0 HB2 GLU A 43 6.351 6.294 1.608 1.00 0.88 H new ATOM 0 HB3 GLU A 43 6.628 4.577 1.393 1.00 0.88 H new ATOM 0 HG2 GLU A 43 8.704 5.574 0.894 1.00 1.04 H new ATOM 0 HG3 GLU A 43 8.015 5.191 -0.671 1.00 1.04 H new ATOM 505 N VAL A 44 6.018 3.936 -1.980 1.00 0.77 N ATOM 506 CA VAL A 44 6.362 2.616 -2.521 1.00 0.55 C ATOM 507 C VAL A 44 7.861 2.381 -2.397 1.00 0.47 C ATOM 508 O VAL A 44 8.674 3.297 -2.524 1.00 0.65 O ATOM 509 CB VAL A 44 5.788 2.417 -3.935 1.00 0.60 C ATOM 510 CG1 VAL A 44 6.433 1.305 -4.749 1.00 1.54 C ATOM 511 CG2 VAL A 44 4.317 2.004 -3.826 1.00 1.63 C ATOM 0 H VAL A 44 6.309 4.714 -2.572 1.00 0.77 H new ATOM 0 HA VAL A 44 5.884 1.836 -1.928 1.00 0.55 H new ATOM 0 HB VAL A 44 5.967 3.370 -4.433 1.00 0.60 H new ATOM 0 HG11 VAL A 44 5.957 1.248 -5.728 1.00 1.54 H new ATOM 0 HG12 VAL A 44 7.495 1.515 -4.874 1.00 1.54 H new ATOM 0 HG13 VAL A 44 6.309 0.355 -4.229 1.00 1.54 H new ATOM 0 HG21 VAL A 44 3.904 1.861 -4.825 1.00 1.63 H new ATOM 0 HG22 VAL A 44 4.241 1.072 -3.266 1.00 1.63 H new ATOM 0 HG23 VAL A 44 3.757 2.784 -3.310 1.00 1.63 H new ATOM 521 N HIS A 45 8.201 1.129 -2.108 1.00 0.50 N ATOM 522 CA HIS A 45 9.559 0.611 -2.121 1.00 0.52 C ATOM 523 C HIS A 45 9.668 -0.530 -3.127 1.00 0.40 C ATOM 524 O HIS A 45 9.674 -1.709 -2.768 1.00 0.35 O ATOM 525 CB HIS A 45 9.966 0.179 -0.711 1.00 0.71 C ATOM 526 CG HIS A 45 10.172 1.334 0.228 1.00 0.91 C ATOM 527 ND1 HIS A 45 11.376 1.919 0.525 1.00 1.07 N ATOM 528 CD2 HIS A 45 9.209 2.020 0.909 1.00 1.06 C ATOM 529 CE1 HIS A 45 11.153 2.927 1.378 1.00 1.27 C ATOM 530 NE2 HIS A 45 9.841 3.012 1.671 1.00 1.27 N ATOM 0 H HIS A 45 7.511 0.424 -1.849 1.00 0.50 H new ATOM 0 HA HIS A 45 10.251 1.393 -2.435 1.00 0.52 H new ATOM 0 HB2 HIS A 45 9.198 -0.479 -0.304 1.00 0.71 H new ATOM 0 HB3 HIS A 45 10.886 -0.403 -0.768 1.00 0.71 H new ATOM 0 HD2 HIS A 45 8.146 1.832 0.868 1.00 1.06 H new ATOM 0 HE1 HIS A 45 11.917 3.579 1.775 1.00 1.27 H new ATOM 0 HE2 HIS A 45 9.398 3.666 2.316 1.00 1.27 H new ATOM 538 N LEU A 46 9.763 -0.174 -4.407 1.00 0.45 N ATOM 539 CA LEU A 46 9.912 -1.113 -5.520 1.00 0.45 C ATOM 540 C LEU A 46 11.121 -2.037 -5.318 1.00 0.42 C ATOM 541 O LEU A 46 11.080 -3.220 -5.649 1.00 0.47 O ATOM 542 CB LEU A 46 10.062 -0.252 -6.788 1.00 0.55 C ATOM 543 CG LEU A 46 9.954 -0.932 -8.165 1.00 0.72 C ATOM 544 CD1 LEU A 46 11.266 -1.541 -8.633 1.00 1.43 C ATOM 545 CD2 LEU A 46 8.844 -1.983 -8.236 1.00 0.91 C ATOM 0 H LEU A 46 9.738 0.800 -4.708 1.00 0.45 H new ATOM 0 HA LEU A 46 9.048 -1.773 -5.596 1.00 0.45 H new ATOM 0 HB2 LEU A 46 9.305 0.531 -6.747 1.00 0.55 H new ATOM 0 HB3 LEU A 46 11.033 0.241 -6.739 1.00 0.55 H new ATOM 0 HG LEU A 46 9.693 -0.120 -8.844 1.00 0.72 H new ATOM 0 HD11 LEU A 46 11.124 -2.005 -9.609 1.00 1.43 H new ATOM 0 HD12 LEU A 46 12.023 -0.760 -8.709 1.00 1.43 H new ATOM 0 HD13 LEU A 46 11.593 -2.295 -7.917 1.00 1.43 H new ATOM 0 HD21 LEU A 46 8.823 -2.423 -9.233 1.00 0.91 H new ATOM 0 HD22 LEU A 46 9.034 -2.763 -7.499 1.00 0.91 H new ATOM 0 HD23 LEU A 46 7.883 -1.512 -8.027 1.00 0.91 H new ATOM 557 N GLU A 47 12.169 -1.508 -4.691 1.00 0.46 N ATOM 558 CA GLU A 47 13.429 -2.194 -4.367 1.00 0.53 C ATOM 559 C GLU A 47 13.271 -3.301 -3.311 1.00 0.51 C ATOM 560 O GLU A 47 14.119 -4.187 -3.219 1.00 0.70 O ATOM 561 CB GLU A 47 14.488 -1.188 -3.889 1.00 0.77 C ATOM 562 CG GLU A 47 14.666 0.038 -4.804 1.00 1.42 C ATOM 563 CD GLU A 47 13.535 1.072 -4.682 1.00 3.07 C ATOM 564 OE1 GLU A 47 12.933 1.196 -3.590 1.00 4.52 O ATOM 565 OE2 GLU A 47 13.186 1.743 -5.686 1.00 3.89 O ATOM 0 H GLU A 47 12.168 -0.538 -4.376 1.00 0.46 H new ATOM 0 HA GLU A 47 13.751 -2.672 -5.292 1.00 0.53 H new ATOM 0 HB2 GLU A 47 14.219 -0.844 -2.890 1.00 0.77 H new ATOM 0 HB3 GLU A 47 15.445 -1.702 -3.802 1.00 0.77 H new ATOM 0 HG2 GLU A 47 15.614 0.521 -4.568 1.00 1.42 H new ATOM 0 HG3 GLU A 47 14.728 -0.298 -5.839 1.00 1.42 H new ATOM 572 N ASP A 48 12.188 -3.280 -2.530 1.00 0.41 N ATOM 573 CA ASP A 48 11.782 -4.334 -1.597 1.00 0.39 C ATOM 574 C ASP A 48 10.472 -5.027 -2.039 1.00 0.35 C ATOM 575 O ASP A 48 9.933 -5.853 -1.304 1.00 0.46 O ATOM 576 CB ASP A 48 11.669 -3.727 -0.180 1.00 0.47 C ATOM 577 CG ASP A 48 12.763 -4.235 0.761 1.00 0.96 C ATOM 578 OD1 ASP A 48 13.910 -3.733 0.681 1.00 2.15 O ATOM 579 OD2 ASP A 48 12.489 -5.146 1.586 1.00 2.35 O ATOM 0 H ASP A 48 11.541 -2.492 -2.531 1.00 0.41 H new ATOM 0 HA ASP A 48 12.540 -5.117 -1.590 1.00 0.39 H new ATOM 0 HB2 ASP A 48 11.727 -2.641 -0.247 1.00 0.47 H new ATOM 0 HB3 ASP A 48 10.692 -3.969 0.239 1.00 0.47 H new ATOM 584 N GLN A 49 9.933 -4.660 -3.213 1.00 0.26 N ATOM 585 CA GLN A 49 8.571 -4.971 -3.685 1.00 0.30 C ATOM 586 C GLN A 49 7.500 -4.699 -2.609 1.00 0.42 C ATOM 587 O GLN A 49 6.542 -5.454 -2.435 1.00 0.53 O ATOM 588 CB GLN A 49 8.482 -6.365 -4.328 1.00 0.37 C ATOM 589 CG GLN A 49 9.623 -6.685 -5.322 1.00 0.40 C ATOM 590 CD GLN A 49 10.900 -7.174 -4.636 1.00 1.49 C ATOM 591 OE1 GLN A 49 10.875 -7.957 -3.695 1.00 1.86 O ATOM 592 NE2 GLN A 49 12.066 -6.745 -5.064 1.00 2.62 N ATOM 0 H GLN A 49 10.460 -4.112 -3.893 1.00 0.26 H new ATOM 0 HA GLN A 49 8.341 -4.273 -4.490 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.483 -7.116 -3.538 1.00 0.37 H new ATOM 0 HB3 GLN A 49 7.528 -6.451 -4.849 1.00 0.37 H new ATOM 0 HG2 GLN A 49 9.282 -7.445 -6.025 1.00 0.40 H new ATOM 0 HG3 GLN A 49 9.850 -5.792 -5.904 1.00 0.40 H new ATOM 0 HE21 GLN A 49 12.113 -6.092 -5.846 1.00 2.62 H new ATOM 0 HE22 GLN A 49 12.924 -7.065 -4.614 1.00 2.62 H new ATOM 601 N MET A 50 7.694 -3.606 -1.867 1.00 0.46 N ATOM 602 CA MET A 50 6.941 -3.240 -0.672 1.00 0.51 C ATOM 603 C MET A 50 6.160 -1.934 -0.861 1.00 0.53 C ATOM 604 O MET A 50 6.513 -1.083 -1.681 1.00 0.62 O ATOM 605 CB MET A 50 7.903 -3.198 0.534 1.00 0.55 C ATOM 606 CG MET A 50 7.391 -2.493 1.806 1.00 0.56 C ATOM 607 SD MET A 50 8.207 -2.979 3.344 1.00 0.91 S ATOM 608 CE MET A 50 7.482 -4.631 3.538 1.00 0.76 C ATOM 0 H MET A 50 8.415 -2.922 -2.097 1.00 0.46 H new ATOM 0 HA MET A 50 6.181 -3.997 -0.478 1.00 0.51 H new ATOM 0 HB2 MET A 50 8.165 -4.223 0.796 1.00 0.55 H new ATOM 0 HB3 MET A 50 8.822 -2.705 0.219 1.00 0.55 H new ATOM 0 HG2 MET A 50 7.508 -1.417 1.677 1.00 0.56 H new ATOM 0 HG3 MET A 50 6.323 -2.688 1.904 1.00 0.56 H new ATOM 0 HE1 MET A 50 7.636 -4.978 4.560 1.00 0.76 H new ATOM 0 HE2 MET A 50 6.414 -4.586 3.327 1.00 0.76 H new ATOM 0 HE3 MET A 50 7.960 -5.322 2.844 1.00 0.76 H new ATOM 618 N VAL A 51 5.103 -1.754 -0.069 1.00 0.48 N ATOM 619 CA VAL A 51 4.272 -0.551 -0.029 1.00 0.49 C ATOM 620 C VAL A 51 4.056 -0.093 1.412 1.00 0.41 C ATOM 621 O VAL A 51 3.712 -0.906 2.269 1.00 0.34 O ATOM 622 CB VAL A 51 2.918 -0.789 -0.724 1.00 0.54 C ATOM 623 CG1 VAL A 51 2.321 0.565 -1.074 1.00 0.75 C ATOM 624 CG2 VAL A 51 3.039 -1.579 -2.026 1.00 0.80 C ATOM 0 H VAL A 51 4.790 -2.470 0.587 1.00 0.48 H new ATOM 0 HA VAL A 51 4.798 0.236 -0.569 1.00 0.49 H new ATOM 0 HB VAL A 51 2.301 -1.365 -0.035 1.00 0.54 H new ATOM 0 HG11 VAL A 51 1.360 0.422 -1.568 1.00 0.75 H new ATOM 0 HG12 VAL A 51 2.178 1.146 -0.163 1.00 0.75 H new ATOM 0 HG13 VAL A 51 2.997 1.099 -1.742 1.00 0.75 H new ATOM 0 HG21 VAL A 51 2.050 -1.712 -2.464 1.00 0.80 H new ATOM 0 HG22 VAL A 51 3.675 -1.035 -2.724 1.00 0.80 H new ATOM 0 HG23 VAL A 51 3.478 -2.555 -1.820 1.00 0.80 H new ATOM 634 N LEU A 52 4.240 1.204 1.667 1.00 0.55 N ATOM 635 CA LEU A 52 3.978 1.862 2.947 1.00 0.44 C ATOM 636 C LEU A 52 2.773 2.795 2.836 1.00 0.33 C ATOM 637 O LEU A 52 2.680 3.625 1.931 1.00 0.34 O ATOM 638 CB LEU A 52 5.205 2.640 3.447 1.00 0.47 C ATOM 639 CG LEU A 52 6.188 1.816 4.299 1.00 0.62 C ATOM 640 CD1 LEU A 52 6.816 0.625 3.576 1.00 1.47 C ATOM 641 CD2 LEU A 52 7.314 2.724 4.792 1.00 0.93 C ATOM 0 H LEU A 52 4.589 1.850 0.959 1.00 0.55 H new ATOM 0 HA LEU A 52 3.757 1.081 3.675 1.00 0.44 H new ATOM 0 HB2 LEU A 52 5.740 3.040 2.586 1.00 0.47 H new ATOM 0 HB3 LEU A 52 4.863 3.492 4.034 1.00 0.47 H new ATOM 0 HG LEU A 52 5.595 1.409 5.118 1.00 0.62 H new ATOM 0 HD11 LEU A 52 7.493 0.104 4.253 1.00 1.47 H new ATOM 0 HD12 LEU A 52 6.031 -0.058 3.251 1.00 1.47 H new ATOM 0 HD13 LEU A 52 7.372 0.978 2.707 1.00 1.47 H new ATOM 0 HD21 LEU A 52 8.012 2.143 5.396 1.00 0.93 H new ATOM 0 HD22 LEU A 52 7.840 3.148 3.937 1.00 0.93 H new ATOM 0 HD23 LEU A 52 6.895 3.529 5.396 1.00 0.93 H new ATOM 653 N VAL A 53 1.863 2.677 3.796 1.00 0.25 N ATOM 654 CA VAL A 53 0.593 3.404 3.843 1.00 0.23 C ATOM 655 C VAL A 53 0.411 3.977 5.248 1.00 0.17 C ATOM 656 O VAL A 53 0.200 3.230 6.200 1.00 0.17 O ATOM 657 CB VAL A 53 -0.573 2.479 3.420 1.00 0.28 C ATOM 658 CG1 VAL A 53 -1.862 3.286 3.242 1.00 0.30 C ATOM 659 CG2 VAL A 53 -0.300 1.737 2.104 1.00 0.35 C ATOM 0 H VAL A 53 1.990 2.052 4.592 1.00 0.25 H new ATOM 0 HA VAL A 53 0.599 4.233 3.135 1.00 0.23 H new ATOM 0 HB VAL A 53 -0.675 1.746 4.220 1.00 0.28 H new ATOM 0 HG11 VAL A 53 -2.671 2.619 2.944 1.00 0.30 H new ATOM 0 HG12 VAL A 53 -2.120 3.772 4.183 1.00 0.30 H new ATOM 0 HG13 VAL A 53 -1.714 4.043 2.472 1.00 0.30 H new ATOM 0 HG21 VAL A 53 -1.153 1.104 1.859 1.00 0.35 H new ATOM 0 HG22 VAL A 53 -0.144 2.461 1.304 1.00 0.35 H new ATOM 0 HG23 VAL A 53 0.591 1.119 2.213 1.00 0.35 H new ATOM 669 N HIS A 54 0.533 5.295 5.387 1.00 0.18 N ATOM 670 CA HIS A 54 0.269 6.049 6.620 1.00 0.18 C ATOM 671 C HIS A 54 -1.236 6.382 6.711 1.00 0.21 C ATOM 672 O HIS A 54 -1.731 7.266 6.006 1.00 0.23 O ATOM 673 CB HIS A 54 1.159 7.308 6.658 1.00 0.22 C ATOM 674 CG HIS A 54 2.648 7.053 6.598 1.00 0.28 C ATOM 675 ND1 HIS A 54 3.552 7.332 7.596 1.00 0.43 N ATOM 676 CD2 HIS A 54 3.377 6.617 5.521 1.00 0.30 C ATOM 677 CE1 HIS A 54 4.788 7.082 7.141 1.00 0.52 C ATOM 678 NE2 HIS A 54 4.731 6.614 5.882 1.00 0.43 N ATOM 0 H HIS A 54 0.830 5.894 4.617 1.00 0.18 H new ATOM 0 HA HIS A 54 0.521 5.449 7.494 1.00 0.18 H new ATOM 0 HB2 HIS A 54 0.884 7.952 5.822 1.00 0.22 H new ATOM 0 HB3 HIS A 54 0.939 7.860 7.572 1.00 0.22 H new ATOM 0 HD2 HIS A 54 2.977 6.326 4.561 1.00 0.30 H new ATOM 0 HE1 HIS A 54 5.697 7.234 7.704 1.00 0.52 H new ATOM 0 HE2 HIS A 54 5.517 6.316 5.304 1.00 0.43 H new ATOM 686 N THR A 55 -1.994 5.636 7.524 1.00 0.25 N ATOM 687 CA THR A 55 -3.473 5.610 7.485 1.00 0.28 C ATOM 688 C THR A 55 -4.123 5.273 8.834 1.00 0.34 C ATOM 689 O THR A 55 -3.506 4.644 9.699 1.00 0.42 O ATOM 690 CB THR A 55 -3.926 4.597 6.418 1.00 0.32 C ATOM 691 OG1 THR A 55 -5.320 4.591 6.257 1.00 0.36 O ATOM 692 CG2 THR A 55 -3.520 3.146 6.690 1.00 0.37 C ATOM 0 H THR A 55 -1.599 5.024 8.238 1.00 0.25 H new ATOM 0 HA THR A 55 -3.803 6.618 7.236 1.00 0.28 H new ATOM 0 HB THR A 55 -3.412 4.945 5.522 1.00 0.32 H new ATOM 0 HG1 THR A 55 -5.646 5.513 6.193 1.00 0.36 H new ATOM 0 HG21 THR A 55 -3.884 2.509 5.884 1.00 0.37 H new ATOM 0 HG22 THR A 55 -2.434 3.076 6.745 1.00 0.37 H new ATOM 0 HG23 THR A 55 -3.953 2.818 7.635 1.00 0.37 H new ATOM 700 N THR A 56 -5.392 5.663 9.000 1.00 0.34 N ATOM 701 CA THR A 56 -6.295 5.158 10.060 1.00 0.34 C ATOM 702 C THR A 56 -7.062 3.871 9.713 1.00 0.33 C ATOM 703 O THR A 56 -7.658 3.267 10.608 1.00 0.43 O ATOM 704 CB THR A 56 -7.297 6.235 10.502 1.00 0.46 C ATOM 705 OG1 THR A 56 -8.113 6.632 9.421 1.00 0.53 O ATOM 706 CG2 THR A 56 -6.586 7.477 11.017 1.00 0.65 C ATOM 0 H THR A 56 -5.836 6.352 8.393 1.00 0.34 H new ATOM 0 HA THR A 56 -5.619 4.902 10.876 1.00 0.34 H new ATOM 0 HB THR A 56 -7.899 5.794 11.297 1.00 0.46 H new ATOM 0 HG1 THR A 56 -8.745 7.317 9.723 1.00 0.53 H new ATOM 0 HG21 THR A 56 -7.324 8.219 11.321 1.00 0.65 H new ATOM 0 HG22 THR A 56 -5.964 7.212 11.872 1.00 0.65 H new ATOM 0 HG23 THR A 56 -5.959 7.891 10.227 1.00 0.65 H new ATOM 714 N LEU A 57 -7.048 3.439 8.445 1.00 0.29 N ATOM 715 CA LEU A 57 -7.772 2.260 7.947 1.00 0.30 C ATOM 716 C LEU A 57 -7.224 0.940 8.530 1.00 0.33 C ATOM 717 O LEU A 57 -6.034 0.864 8.842 1.00 0.39 O ATOM 718 CB LEU A 57 -7.694 2.228 6.406 1.00 0.30 C ATOM 719 CG LEU A 57 -8.349 3.423 5.682 1.00 0.31 C ATOM 720 CD1 LEU A 57 -8.151 3.272 4.174 1.00 0.39 C ATOM 721 CD2 LEU A 57 -9.844 3.519 5.960 1.00 0.38 C ATOM 0 H LEU A 57 -6.517 3.914 7.715 1.00 0.29 H new ATOM 0 HA LEU A 57 -8.809 2.346 8.273 1.00 0.30 H new ATOM 0 HB2 LEU A 57 -6.645 2.179 6.114 1.00 0.30 H new ATOM 0 HB3 LEU A 57 -8.166 1.310 6.055 1.00 0.30 H new ATOM 0 HG LEU A 57 -7.872 4.329 6.056 1.00 0.31 H new ATOM 0 HD11 LEU A 57 -8.613 4.115 3.660 1.00 0.39 H new ATOM 0 HD12 LEU A 57 -7.085 3.249 3.948 1.00 0.39 H new ATOM 0 HD13 LEU A 57 -8.614 2.344 3.837 1.00 0.39 H new ATOM 0 HD21 LEU A 57 -10.259 4.375 5.428 1.00 0.38 H new ATOM 0 HD22 LEU A 57 -10.336 2.608 5.620 1.00 0.38 H new ATOM 0 HD23 LEU A 57 -10.008 3.642 7.031 1.00 0.38 H new ATOM 733 N PRO A 58 -8.037 -0.131 8.634 1.00 0.34 N ATOM 734 CA PRO A 58 -7.574 -1.438 9.097 1.00 0.37 C ATOM 735 C PRO A 58 -6.837 -2.145 7.952 1.00 0.29 C ATOM 736 O PRO A 58 -7.246 -2.034 6.794 1.00 0.27 O ATOM 737 CB PRO A 58 -8.840 -2.207 9.520 1.00 0.46 C ATOM 738 CG PRO A 58 -9.989 -1.201 9.359 1.00 0.47 C ATOM 739 CD PRO A 58 -9.443 -0.270 8.284 1.00 0.36 C ATOM 0 HA PRO A 58 -6.877 -1.368 9.932 1.00 0.37 H new ATOM 0 HB2 PRO A 58 -8.995 -3.086 8.895 1.00 0.46 H new ATOM 0 HB3 PRO A 58 -8.763 -2.557 10.549 1.00 0.46 H new ATOM 0 HG2 PRO A 58 -10.915 -1.685 9.048 1.00 0.47 H new ATOM 0 HG3 PRO A 58 -10.202 -0.672 10.288 1.00 0.47 H new ATOM 0 HD2 PRO A 58 -9.568 -0.692 7.287 1.00 0.36 H new ATOM 0 HD3 PRO A 58 -9.955 0.692 8.289 1.00 0.36 H new ATOM 747 N SER A 59 -5.794 -2.931 8.227 1.00 0.30 N ATOM 748 CA SER A 59 -5.019 -3.562 7.139 1.00 0.30 C ATOM 749 C SER A 59 -5.814 -4.516 6.240 1.00 0.30 C ATOM 750 O SER A 59 -5.438 -4.675 5.083 1.00 0.36 O ATOM 751 CB SER A 59 -3.728 -4.234 7.612 1.00 0.40 C ATOM 752 OG SER A 59 -3.766 -4.682 8.957 1.00 0.80 O ATOM 0 H SER A 59 -5.466 -3.147 9.168 1.00 0.30 H new ATOM 0 HA SER A 59 -4.750 -2.706 6.520 1.00 0.30 H new ATOM 0 HB2 SER A 59 -3.515 -5.084 6.963 1.00 0.40 H new ATOM 0 HB3 SER A 59 -2.903 -3.531 7.498 1.00 0.40 H new ATOM 0 HG SER A 59 -2.910 -5.101 9.187 1.00 0.80 H new ATOM 758 N GLN A 60 -6.949 -5.056 6.693 1.00 0.33 N ATOM 759 CA GLN A 60 -7.875 -5.834 5.851 1.00 0.43 C ATOM 760 C GLN A 60 -8.520 -4.983 4.741 1.00 0.39 C ATOM 761 O GLN A 60 -8.859 -5.491 3.673 1.00 0.50 O ATOM 762 CB GLN A 60 -8.988 -6.472 6.697 1.00 0.60 C ATOM 763 CG GLN A 60 -8.501 -7.186 7.963 1.00 0.74 C ATOM 764 CD GLN A 60 -8.414 -6.246 9.145 1.00 1.33 C ATOM 765 OE1 GLN A 60 -9.405 -5.710 9.628 1.00 2.14 O ATOM 766 NE2 GLN A 60 -7.230 -5.978 9.622 1.00 2.51 N ATOM 0 H GLN A 60 -7.257 -4.967 7.661 1.00 0.33 H new ATOM 0 HA GLN A 60 -7.273 -6.612 5.382 1.00 0.43 H new ATOM 0 HB2 GLN A 60 -9.697 -5.696 6.984 1.00 0.60 H new ATOM 0 HB3 GLN A 60 -9.531 -7.187 6.079 1.00 0.60 H new ATOM 0 HG2 GLN A 60 -9.179 -8.006 8.201 1.00 0.74 H new ATOM 0 HG3 GLN A 60 -7.521 -7.626 7.777 1.00 0.74 H new ATOM 0 HE21 GLN A 60 -6.405 -6.424 9.220 1.00 2.51 H new ATOM 0 HE22 GLN A 60 -7.129 -5.322 10.397 1.00 2.51 H new ATOM 775 N GLU A 61 -8.693 -3.681 4.980 1.00 0.32 N ATOM 776 CA GLU A 61 -9.239 -2.714 4.024 1.00 0.35 C ATOM 777 C GLU A 61 -8.159 -2.247 3.042 1.00 0.37 C ATOM 778 O GLU A 61 -8.403 -2.181 1.835 1.00 0.50 O ATOM 779 CB GLU A 61 -9.825 -1.544 4.831 1.00 0.41 C ATOM 780 CG GLU A 61 -10.763 -0.664 4.011 1.00 0.78 C ATOM 781 CD GLU A 61 -11.556 0.361 4.835 1.00 1.39 C ATOM 782 OE1 GLU A 61 -11.789 0.139 6.044 1.00 2.21 O ATOM 783 OE2 GLU A 61 -12.020 1.373 4.251 1.00 2.38 O ATOM 0 H GLU A 61 -8.449 -3.256 5.875 1.00 0.32 H new ATOM 0 HA GLU A 61 -10.023 -3.171 3.420 1.00 0.35 H new ATOM 0 HB2 GLU A 61 -10.366 -1.938 5.692 1.00 0.41 H new ATOM 0 HB3 GLU A 61 -9.010 -0.933 5.219 1.00 0.41 H new ATOM 0 HG2 GLU A 61 -10.179 -0.133 3.259 1.00 0.78 H new ATOM 0 HG3 GLU A 61 -11.465 -1.303 3.476 1.00 0.78 H new ATOM 790 N VAL A 62 -6.944 -1.999 3.546 1.00 0.28 N ATOM 791 CA VAL A 62 -5.765 -1.609 2.783 1.00 0.26 C ATOM 792 C VAL A 62 -5.290 -2.761 1.894 1.00 0.24 C ATOM 793 O VAL A 62 -4.963 -2.522 0.737 1.00 0.26 O ATOM 794 CB VAL A 62 -4.647 -1.134 3.731 1.00 0.23 C ATOM 795 CG1 VAL A 62 -3.503 -0.498 2.944 1.00 0.42 C ATOM 796 CG2 VAL A 62 -5.089 -0.097 4.770 1.00 0.30 C ATOM 0 H VAL A 62 -6.753 -2.070 4.546 1.00 0.28 H new ATOM 0 HA VAL A 62 -6.030 -0.777 2.131 1.00 0.26 H new ATOM 0 HB VAL A 62 -4.341 -2.040 4.254 1.00 0.23 H new ATOM 0 HG11 VAL A 62 -2.725 -0.170 3.634 1.00 0.42 H new ATOM 0 HG12 VAL A 62 -3.088 -1.229 2.250 1.00 0.42 H new ATOM 0 HG13 VAL A 62 -3.878 0.360 2.386 1.00 0.42 H new ATOM 0 HG21 VAL A 62 -4.238 0.179 5.393 1.00 0.30 H new ATOM 0 HG22 VAL A 62 -5.469 0.789 4.261 1.00 0.30 H new ATOM 0 HG23 VAL A 62 -5.874 -0.521 5.396 1.00 0.30 H new ATOM 806 N GLN A 63 -5.341 -4.016 2.360 1.00 0.24 N ATOM 807 CA GLN A 63 -5.051 -5.193 1.527 1.00 0.28 C ATOM 808 C GLN A 63 -5.919 -5.224 0.266 1.00 0.35 C ATOM 809 O GLN A 63 -5.400 -5.518 -0.805 1.00 0.34 O ATOM 810 CB GLN A 63 -5.246 -6.507 2.311 1.00 0.35 C ATOM 811 CG GLN A 63 -4.908 -7.728 1.425 1.00 0.48 C ATOM 812 CD GLN A 63 -5.160 -9.069 2.102 1.00 0.67 C ATOM 813 OE1 GLN A 63 -6.189 -9.294 2.726 1.00 1.61 O ATOM 814 NE2 GLN A 63 -4.252 -10.012 1.975 1.00 1.61 N ATOM 0 H GLN A 63 -5.584 -4.245 3.324 1.00 0.24 H new ATOM 0 HA GLN A 63 -4.005 -5.109 1.232 1.00 0.28 H new ATOM 0 HB2 GLN A 63 -4.609 -6.506 3.196 1.00 0.35 H new ATOM 0 HB3 GLN A 63 -6.276 -6.579 2.660 1.00 0.35 H new ATOM 0 HG2 GLN A 63 -5.500 -7.676 0.511 1.00 0.48 H new ATOM 0 HG3 GLN A 63 -3.860 -7.672 1.130 1.00 0.48 H new ATOM 0 HE21 GLN A 63 -3.394 -9.827 1.456 1.00 1.61 H new ATOM 0 HE22 GLN A 63 -4.406 -10.928 2.396 1.00 1.61 H new ATOM 823 N ALA A 64 -7.211 -4.904 0.358 1.00 0.45 N ATOM 824 CA ALA A 64 -8.098 -4.922 -0.799 1.00 0.55 C ATOM 825 C ALA A 64 -7.919 -3.654 -1.661 1.00 0.56 C ATOM 826 O ALA A 64 -8.082 -3.696 -2.883 1.00 0.68 O ATOM 827 CB ALA A 64 -9.529 -5.081 -0.280 1.00 0.63 C ATOM 0 H ALA A 64 -7.665 -4.628 1.229 1.00 0.45 H new ATOM 0 HA ALA A 64 -7.857 -5.757 -1.456 1.00 0.55 H new ATOM 0 HB1 ALA A 64 -10.221 -5.098 -1.122 1.00 0.63 H new ATOM 0 HB2 ALA A 64 -9.612 -6.014 0.278 1.00 0.63 H new ATOM 0 HB3 ALA A 64 -9.774 -4.244 0.374 1.00 0.63 H new ATOM 833 N LEU A 65 -7.502 -2.536 -1.047 1.00 0.49 N ATOM 834 CA LEU A 65 -7.074 -1.333 -1.767 1.00 0.55 C ATOM 835 C LEU A 65 -5.823 -1.594 -2.634 1.00 0.48 C ATOM 836 O LEU A 65 -5.695 -1.089 -3.750 1.00 0.66 O ATOM 837 CB LEU A 65 -6.837 -0.198 -0.765 1.00 0.59 C ATOM 838 CG LEU A 65 -8.126 0.462 -0.236 1.00 0.74 C ATOM 839 CD1 LEU A 65 -7.788 1.389 0.928 1.00 0.81 C ATOM 840 CD2 LEU A 65 -8.816 1.304 -1.308 1.00 0.93 C ATOM 0 H LEU A 65 -7.453 -2.444 -0.032 1.00 0.49 H new ATOM 0 HA LEU A 65 -7.867 -1.039 -2.455 1.00 0.55 H new ATOM 0 HB2 LEU A 65 -6.269 -0.588 0.080 1.00 0.59 H new ATOM 0 HB3 LEU A 65 -6.220 0.566 -1.238 1.00 0.59 H new ATOM 0 HG LEU A 65 -8.793 -0.342 0.074 1.00 0.74 H new ATOM 0 HD11 LEU A 65 -8.701 1.854 1.300 1.00 0.81 H new ATOM 0 HD12 LEU A 65 -7.322 0.814 1.728 1.00 0.81 H new ATOM 0 HD13 LEU A 65 -7.099 2.163 0.589 1.00 0.81 H new ATOM 0 HD21 LEU A 65 -9.720 1.751 -0.894 1.00 0.93 H new ATOM 0 HD22 LEU A 65 -8.141 2.092 -1.642 1.00 0.93 H new ATOM 0 HD23 LEU A 65 -9.080 0.670 -2.155 1.00 0.93 H new ATOM 852 N LEU A 66 -4.918 -2.425 -2.118 1.00 0.29 N ATOM 853 CA LEU A 66 -3.741 -2.957 -2.806 1.00 0.29 C ATOM 854 C LEU A 66 -4.111 -4.033 -3.847 1.00 0.31 C ATOM 855 O LEU A 66 -3.703 -3.922 -4.996 1.00 0.38 O ATOM 856 CB LEU A 66 -2.757 -3.489 -1.746 1.00 0.31 C ATOM 857 CG LEU A 66 -2.128 -2.378 -0.878 1.00 0.35 C ATOM 858 CD1 LEU A 66 -1.718 -2.933 0.484 1.00 0.33 C ATOM 859 CD2 LEU A 66 -0.885 -1.796 -1.551 1.00 0.49 C ATOM 0 H LEU A 66 -4.989 -2.763 -1.158 1.00 0.29 H new ATOM 0 HA LEU A 66 -3.264 -2.158 -3.374 1.00 0.29 H new ATOM 0 HB2 LEU A 66 -3.279 -4.194 -1.098 1.00 0.31 H new ATOM 0 HB3 LEU A 66 -1.962 -4.043 -2.245 1.00 0.31 H new ATOM 0 HG LEU A 66 -2.878 -1.597 -0.755 1.00 0.35 H new ATOM 0 HD11 LEU A 66 -1.276 -2.137 1.083 1.00 0.33 H new ATOM 0 HD12 LEU A 66 -2.596 -3.328 0.995 1.00 0.33 H new ATOM 0 HD13 LEU A 66 -0.989 -3.731 0.347 1.00 0.33 H new ATOM 0 HD21 LEU A 66 -0.461 -1.016 -0.919 1.00 0.49 H new ATOM 0 HD22 LEU A 66 -0.147 -2.585 -1.697 1.00 0.49 H new ATOM 0 HD23 LEU A 66 -1.159 -1.372 -2.517 1.00 0.49 H new ATOM 871 N GLU A 67 -4.924 -5.036 -3.513 1.00 0.32 N ATOM 872 CA GLU A 67 -5.350 -6.106 -4.440 1.00 0.42 C ATOM 873 C GLU A 67 -6.158 -5.574 -5.643 1.00 0.41 C ATOM 874 O GLU A 67 -6.052 -6.121 -6.744 1.00 0.49 O ATOM 875 CB GLU A 67 -6.111 -7.199 -3.653 1.00 0.60 C ATOM 876 CG GLU A 67 -5.198 -8.347 -3.156 1.00 0.64 C ATOM 877 CD GLU A 67 -5.431 -9.716 -3.826 1.00 1.61 C ATOM 878 OE1 GLU A 67 -5.721 -9.789 -5.046 1.00 3.19 O ATOM 879 OE2 GLU A 67 -5.308 -10.747 -3.114 1.00 1.87 O ATOM 0 H GLU A 67 -5.316 -5.137 -2.577 1.00 0.32 H new ATOM 0 HA GLU A 67 -4.456 -6.551 -4.878 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -6.606 -6.741 -2.796 1.00 0.60 H new ATOM 0 HB3 GLU A 67 -6.893 -7.616 -4.288 1.00 0.60 H new ATOM 0 HG2 GLU A 67 -4.159 -8.056 -3.314 1.00 0.64 H new ATOM 0 HG3 GLU A 67 -5.337 -8.460 -2.081 1.00 0.64 H new ATOM 886 N GLY A 68 -6.859 -4.441 -5.499 1.00 0.40 N ATOM 887 CA GLY A 68 -7.514 -3.714 -6.600 1.00 0.49 C ATOM 888 C GLY A 68 -6.575 -3.198 -7.710 1.00 0.47 C ATOM 889 O GLY A 68 -7.042 -2.778 -8.770 1.00 0.61 O ATOM 0 H GLY A 68 -6.991 -3.992 -4.593 1.00 0.40 H new ATOM 0 HA2 GLY A 68 -8.257 -4.370 -7.053 1.00 0.49 H new ATOM 0 HA3 GLY A 68 -8.053 -2.864 -6.181 1.00 0.49 H new ATOM 893 N THR A 69 -5.254 -3.269 -7.509 1.00 0.39 N ATOM 894 CA THR A 69 -4.209 -2.922 -8.500 1.00 0.44 C ATOM 895 C THR A 69 -3.890 -4.079 -9.469 1.00 0.48 C ATOM 896 O THR A 69 -3.043 -3.938 -10.357 1.00 0.62 O ATOM 897 CB THR A 69 -2.942 -2.400 -7.791 1.00 0.45 C ATOM 898 OG1 THR A 69 -2.294 -3.423 -7.081 1.00 0.68 O ATOM 899 CG2 THR A 69 -3.273 -1.241 -6.854 1.00 0.63 C ATOM 0 H THR A 69 -4.861 -3.581 -6.621 1.00 0.39 H new ATOM 0 HA THR A 69 -4.609 -2.120 -9.121 1.00 0.44 H new ATOM 0 HB THR A 69 -2.266 -2.039 -8.566 1.00 0.45 H new ATOM 0 HG1 THR A 69 -2.939 -3.876 -6.499 1.00 0.68 H new ATOM 0 HG21 THR A 69 -2.361 -0.894 -6.368 1.00 0.63 H new ATOM 0 HG22 THR A 69 -3.713 -0.424 -7.427 1.00 0.63 H new ATOM 0 HG23 THR A 69 -3.982 -1.576 -6.097 1.00 0.63 H new ATOM 907 N GLY A 70 -4.573 -5.223 -9.314 1.00 0.44 N ATOM 908 CA GLY A 70 -4.411 -6.428 -10.138 1.00 0.52 C ATOM 909 C GLY A 70 -3.252 -7.329 -9.697 1.00 0.49 C ATOM 910 O GLY A 70 -2.599 -7.947 -10.542 1.00 0.70 O ATOM 0 H GLY A 70 -5.278 -5.338 -8.586 1.00 0.44 H new ATOM 0 HA2 GLY A 70 -5.337 -7.003 -10.110 1.00 0.52 H new ATOM 0 HA3 GLY A 70 -4.253 -6.129 -11.174 1.00 0.52 H new ATOM 914 N ARG A 71 -2.923 -7.324 -8.396 1.00 0.37 N ATOM 915 CA ARG A 71 -1.722 -7.921 -7.805 1.00 0.41 C ATOM 916 C ARG A 71 -2.016 -8.641 -6.494 1.00 0.40 C ATOM 917 O ARG A 71 -2.916 -8.261 -5.749 1.00 0.58 O ATOM 918 CB ARG A 71 -0.704 -6.809 -7.522 1.00 0.80 C ATOM 919 CG ARG A 71 -0.348 -6.027 -8.786 1.00 1.01 C ATOM 920 CD ARG A 71 0.462 -4.795 -8.430 1.00 0.64 C ATOM 921 NE ARG A 71 0.593 -3.941 -9.614 1.00 0.87 N ATOM 922 CZ ARG A 71 1.339 -4.154 -10.672 1.00 1.02 C ATOM 923 NH1 ARG A 71 2.245 -5.090 -10.731 1.00 2.40 N ATOM 924 NH2 ARG A 71 1.164 -3.385 -11.696 1.00 1.08 N ATOM 0 H ARG A 71 -3.518 -6.881 -7.696 1.00 0.37 H new ATOM 0 HA ARG A 71 -1.336 -8.652 -8.515 1.00 0.41 H new ATOM 0 HB2 ARG A 71 -1.110 -6.127 -6.775 1.00 0.80 H new ATOM 0 HB3 ARG A 71 0.201 -7.244 -7.098 1.00 0.80 H new ATOM 0 HG2 ARG A 71 0.221 -6.661 -9.466 1.00 1.01 H new ATOM 0 HG3 ARG A 71 -1.258 -5.734 -9.309 1.00 1.01 H new ATOM 0 HD2 ARG A 71 -0.025 -4.246 -7.624 1.00 0.64 H new ATOM 0 HD3 ARG A 71 1.448 -5.086 -8.067 1.00 0.64 H new ATOM 0 HE ARG A 71 0.041 -3.083 -9.616 1.00 0.87 H new ATOM 0 HH11 ARG A 71 2.401 -5.700 -9.929 1.00 2.40 H new ATOM 0 HH12 ARG A 71 2.798 -5.212 -11.580 1.00 2.40 H new ATOM 0 HH21 ARG A 71 0.465 -2.643 -11.663 1.00 1.08 H new ATOM 0 HH22 ARG A 71 1.725 -3.520 -12.537 1.00 1.08 H new ATOM 938 N GLN A 72 -1.159 -9.603 -6.172 1.00 0.40 N ATOM 939 CA GLN A 72 -1.037 -10.166 -4.832 1.00 0.51 C ATOM 940 C GLN A 72 -0.522 -9.109 -3.842 1.00 0.46 C ATOM 941 O GLN A 72 0.298 -8.255 -4.187 1.00 0.41 O ATOM 942 CB GLN A 72 -0.096 -11.376 -4.879 1.00 0.60 C ATOM 943 CG GLN A 72 -0.130 -12.264 -3.626 1.00 1.31 C ATOM 944 CD GLN A 72 1.226 -12.765 -3.134 1.00 2.88 C ATOM 945 OE1 GLN A 72 2.228 -12.828 -3.840 1.00 4.01 O ATOM 946 NE2 GLN A 72 1.280 -13.125 -1.876 1.00 3.67 N ATOM 0 H GLN A 72 -0.518 -10.021 -6.846 1.00 0.40 H new ATOM 0 HA GLN A 72 -2.019 -10.489 -4.486 1.00 0.51 H new ATOM 0 HB2 GLN A 72 -0.352 -11.985 -5.746 1.00 0.60 H new ATOM 0 HB3 GLN A 72 0.924 -11.021 -5.029 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -0.605 -11.705 -2.820 1.00 1.31 H new ATOM 0 HG3 GLN A 72 -0.763 -13.127 -3.832 1.00 1.31 H new ATOM 0 HE21 GLN A 72 0.444 -13.071 -1.294 1.00 3.67 H new ATOM 0 HE22 GLN A 72 2.158 -13.460 -1.479 1.00 3.67 H new ATOM 955 N ALA A 73 -1.000 -9.228 -2.608 1.00 0.54 N ATOM 956 CA ALA A 73 -0.750 -8.342 -1.465 1.00 0.47 C ATOM 957 C ALA A 73 -0.835 -9.083 -0.117 1.00 0.43 C ATOM 958 O ALA A 73 -1.884 -9.629 0.245 1.00 0.51 O ATOM 959 CB ALA A 73 -1.797 -7.227 -1.507 1.00 0.62 C ATOM 0 H ALA A 73 -1.617 -10.000 -2.357 1.00 0.54 H new ATOM 0 HA ALA A 73 0.263 -7.946 -1.542 1.00 0.47 H new ATOM 0 HB1 ALA A 73 -1.640 -6.548 -0.669 1.00 0.62 H new ATOM 0 HB2 ALA A 73 -1.704 -6.676 -2.443 1.00 0.62 H new ATOM 0 HB3 ALA A 73 -2.794 -7.662 -1.440 1.00 0.62 H new ATOM 965 N VAL A 74 0.257 -9.030 0.648 1.00 0.39 N ATOM 966 CA VAL A 74 0.404 -9.590 2.004 1.00 0.41 C ATOM 967 C VAL A 74 0.846 -8.482 2.952 1.00 0.50 C ATOM 968 O VAL A 74 1.795 -7.758 2.654 1.00 0.63 O ATOM 969 CB VAL A 74 1.448 -10.725 2.005 1.00 0.52 C ATOM 970 CG1 VAL A 74 1.808 -11.223 3.412 1.00 0.68 C ATOM 971 CG2 VAL A 74 0.933 -11.929 1.218 1.00 0.66 C ATOM 0 H VAL A 74 1.110 -8.573 0.327 1.00 0.39 H new ATOM 0 HA VAL A 74 -0.552 -9.999 2.331 1.00 0.41 H new ATOM 0 HB VAL A 74 2.339 -10.295 1.547 1.00 0.52 H new ATOM 0 HG11 VAL A 74 2.547 -12.021 3.338 1.00 0.68 H new ATOM 0 HG12 VAL A 74 2.220 -10.400 3.995 1.00 0.68 H new ATOM 0 HG13 VAL A 74 0.912 -11.603 3.904 1.00 0.68 H new ATOM 0 HG21 VAL A 74 1.683 -12.719 1.230 1.00 0.66 H new ATOM 0 HG22 VAL A 74 0.013 -12.295 1.674 1.00 0.66 H new ATOM 0 HG23 VAL A 74 0.735 -11.633 0.188 1.00 0.66 H new ATOM 981 N LEU A 75 0.198 -8.344 4.106 1.00 0.52 N ATOM 982 CA LEU A 75 0.659 -7.435 5.157 1.00 0.57 C ATOM 983 C LEU A 75 1.758 -8.082 6.002 1.00 0.63 C ATOM 984 O LEU A 75 1.642 -9.219 6.462 1.00 0.78 O ATOM 985 CB LEU A 75 -0.555 -6.982 5.975 1.00 0.65 C ATOM 986 CG LEU A 75 -0.331 -5.960 7.106 1.00 0.76 C ATOM 987 CD1 LEU A 75 -0.044 -6.587 8.462 1.00 2.68 C ATOM 988 CD2 LEU A 75 0.648 -4.842 6.797 1.00 1.68 C ATOM 0 H LEU A 75 -0.654 -8.853 4.340 1.00 0.52 H new ATOM 0 HA LEU A 75 1.120 -6.549 4.721 1.00 0.57 H new ATOM 0 HB2 LEU A 75 -1.283 -6.559 5.283 1.00 0.65 H new ATOM 0 HB3 LEU A 75 -1.011 -7.870 6.414 1.00 0.65 H new ATOM 0 HG LEU A 75 -1.307 -5.479 7.172 1.00 0.76 H new ATOM 0 HD11 LEU A 75 0.102 -5.801 9.203 1.00 2.68 H new ATOM 0 HD12 LEU A 75 -0.885 -7.214 8.758 1.00 2.68 H new ATOM 0 HD13 LEU A 75 0.857 -7.196 8.398 1.00 2.68 H new ATOM 0 HD21 LEU A 75 0.730 -4.181 7.660 1.00 1.68 H new ATOM 0 HD22 LEU A 75 1.626 -5.267 6.571 1.00 1.68 H new ATOM 0 HD23 LEU A 75 0.292 -4.274 5.938 1.00 1.68 H new ATOM 1000 N LYS A 76 2.826 -7.311 6.206 1.00 0.54 N ATOM 1001 CA LYS A 76 4.025 -7.688 6.974 1.00 0.55 C ATOM 1002 C LYS A 76 3.944 -7.235 8.436 1.00 0.63 C ATOM 1003 O LYS A 76 4.375 -7.976 9.322 1.00 0.70 O ATOM 1004 CB LYS A 76 5.287 -7.136 6.275 1.00 0.62 C ATOM 1005 CG LYS A 76 5.403 -7.512 4.782 1.00 0.75 C ATOM 1006 CD LYS A 76 5.869 -8.953 4.539 1.00 0.75 C ATOM 1007 CE LYS A 76 7.398 -9.017 4.595 1.00 1.69 C ATOM 1008 NZ LYS A 76 7.900 -10.361 4.246 1.00 1.78 N ATOM 0 H LYS A 76 2.887 -6.366 5.827 1.00 0.54 H new ATOM 0 HA LYS A 76 4.085 -8.776 6.998 1.00 0.55 H new ATOM 0 HB2 LYS A 76 5.292 -6.050 6.365 1.00 0.62 H new ATOM 0 HB3 LYS A 76 6.169 -7.504 6.800 1.00 0.62 H new ATOM 0 HG2 LYS A 76 4.434 -7.369 4.305 1.00 0.75 H new ATOM 0 HG3 LYS A 76 6.101 -6.828 4.298 1.00 0.75 H new ATOM 0 HD2 LYS A 76 5.440 -9.616 5.290 1.00 0.75 H new ATOM 0 HD3 LYS A 76 5.516 -9.301 3.568 1.00 0.75 H new ATOM 0 HE2 LYS A 76 7.819 -8.282 3.909 1.00 1.69 H new ATOM 0 HE3 LYS A 76 7.737 -8.750 5.596 1.00 1.69 H new ATOM 0 HZ1 LYS A 76 8.939 -10.367 4.294 1.00 1.78 H new ATOM 0 HZ2 LYS A 76 7.518 -11.059 4.916 1.00 1.78 H new ATOM 0 HZ3 LYS A 76 7.597 -10.605 3.282 1.00 1.78 H new ATOM 1022 N GLY A 77 3.350 -6.065 8.685 1.00 0.61 N ATOM 1023 CA GLY A 77 3.123 -5.447 9.989 1.00 0.53 C ATOM 1024 C GLY A 77 3.131 -3.918 9.902 1.00 0.44 C ATOM 1025 O GLY A 77 2.895 -3.333 8.844 1.00 0.49 O ATOM 0 H GLY A 77 2.991 -5.486 7.926 1.00 0.61 H new ATOM 0 HA2 GLY A 77 2.167 -5.783 10.389 1.00 0.53 H new ATOM 0 HA3 GLY A 77 3.894 -5.776 10.686 1.00 0.53 H new ATOM 1029 N MET A 78 3.369 -3.270 11.038 1.00 0.58 N ATOM 1030 CA MET A 78 3.382 -1.819 11.208 1.00 0.73 C ATOM 1031 C MET A 78 4.789 -1.247 11.027 1.00 0.97 C ATOM 1032 O MET A 78 5.790 -1.863 11.407 1.00 1.39 O ATOM 1033 CB MET A 78 2.796 -1.452 12.573 1.00 1.11 C ATOM 1034 CG MET A 78 1.281 -1.614 12.479 1.00 1.28 C ATOM 1035 SD MET A 78 0.370 -1.692 14.030 1.00 3.13 S ATOM 1036 CE MET A 78 -1.168 -2.228 13.250 1.00 2.85 C ATOM 0 H MET A 78 3.568 -3.765 11.907 1.00 0.58 H new ATOM 0 HA MET A 78 2.760 -1.372 10.433 1.00 0.73 H new ATOM 0 HB2 MET A 78 3.203 -2.097 13.351 1.00 1.11 H new ATOM 0 HB3 MET A 78 3.057 -0.428 12.839 1.00 1.11 H new ATOM 0 HG2 MET A 78 0.887 -0.782 11.896 1.00 1.28 H new ATOM 0 HG3 MET A 78 1.072 -2.524 11.917 1.00 1.28 H new ATOM 0 HE1 MET A 78 -1.936 -2.359 14.012 1.00 2.85 H new ATOM 0 HE2 MET A 78 -1.493 -1.475 12.532 1.00 2.85 H new ATOM 0 HE3 MET A 78 -1.004 -3.174 12.734 1.00 2.85 H new