USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 545 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 29 HIS : no HE2:sc= 0.345 K(o=1.2,f=-2) USER MOD Set 1.2: A 61 THR OG1 : rot 163:sc= 0.893 USER MOD Set 2.1: A 45 HIS : no HE2:sc= -1.99 K(o=-2,f=-6.3!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -162:sc= -0.0171 (180deg=-0.202) USER MOD Set 3.1: A 34 TYR OH : rot -121:sc= 0.9 USER MOD Set 3.2: A 36 SER OG : rot 82:sc= 2.45 USER MOD Set 4.1: A 15 CYS SG : rot 180:sc= 0.441 USER MOD Set 4.2: A 17 SER OG : rot -80:sc= 1.4 USER MOD Single : A 13 MET CE :methyl -172:sc= -1.17 (180deg=-1.39) USER MOD Single : A 14 THR OG1 : rot -48:sc= 0.911 USER MOD Single : A 18 CYS SG : rot 180:sc= 0.00369 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.178 F(o=-1.1,f=-0.18) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 120:sc= -0.0124 USER MOD Single : A 27 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 90:sc= -0.611 USER MOD Single : A 41 THR OG1 : rot -25:sc= 0.833 USER MOD Single : A 42 ASN : amide:sc= 0.248 X(o=0.25,f=-0.023) USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= 1.13 (180deg=1.03) USER MOD Single : A 48 TYR OH : rot 90:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=-0.11) USER MOD Single : A 64 SER OG : rot -16:sc= 0.228 USER MOD Single : A 70 SER OG : rot 20:sc= 0.761 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 4.425 4.100 -11.555 1.00 1.02 N ATOM 40 CA GLY A 4 5.304 3.250 -10.776 1.00 1.11 C ATOM 41 C GLY A 4 4.478 2.176 -10.068 1.00 1.13 C ATOM 42 O GLY A 4 4.120 2.320 -8.899 1.00 2.05 O ATOM 0 HA2 GLY A 4 6.046 2.785 -11.425 1.00 1.11 H new ATOM 0 HA3 GLY A 4 5.849 3.846 -10.044 1.00 1.11 H new ATOM 46 N VAL A 5 4.192 1.080 -10.774 1.00 0.73 N ATOM 47 CA VAL A 5 3.315 0.034 -10.268 1.00 0.77 C ATOM 48 C VAL A 5 4.065 -0.789 -9.220 1.00 0.87 C ATOM 49 O VAL A 5 5.199 -1.212 -9.445 1.00 1.16 O ATOM 50 CB VAL A 5 2.789 -0.834 -11.429 1.00 0.95 C ATOM 51 CG1 VAL A 5 3.886 -1.580 -12.202 1.00 1.85 C ATOM 52 CG2 VAL A 5 1.748 -1.834 -10.914 1.00 1.80 C ATOM 0 H VAL A 5 4.562 0.897 -11.707 1.00 0.73 H new ATOM 0 HA VAL A 5 2.443 0.478 -9.787 1.00 0.77 H new ATOM 0 HB VAL A 5 2.335 -0.139 -12.136 1.00 0.95 H new ATOM 0 HG11 VAL A 5 3.433 -2.167 -13.001 1.00 1.85 H new ATOM 0 HG12 VAL A 5 4.583 -0.860 -12.631 1.00 1.85 H new ATOM 0 HG13 VAL A 5 4.422 -2.244 -11.524 1.00 1.85 H new ATOM 0 HG21 VAL A 5 1.385 -2.441 -11.744 1.00 1.80 H new ATOM 0 HG22 VAL A 5 2.204 -2.480 -10.164 1.00 1.80 H new ATOM 0 HG23 VAL A 5 0.914 -1.293 -10.467 1.00 1.80 H new ATOM 62 N LEU A 6 3.449 -0.976 -8.049 1.00 0.82 N ATOM 63 CA LEU A 6 4.095 -1.535 -6.880 1.00 0.81 C ATOM 64 C LEU A 6 3.122 -2.468 -6.171 1.00 0.67 C ATOM 65 O LEU A 6 2.242 -2.044 -5.424 1.00 0.72 O ATOM 66 CB LEU A 6 4.555 -0.373 -6.000 1.00 0.95 C ATOM 67 CG LEU A 6 5.549 -0.717 -4.882 1.00 1.26 C ATOM 68 CD1 LEU A 6 4.978 -1.641 -3.803 1.00 2.15 C ATOM 69 CD2 LEU A 6 6.865 -1.288 -5.423 1.00 3.04 C ATOM 0 H LEU A 6 2.470 -0.736 -7.894 1.00 0.82 H new ATOM 0 HA LEU A 6 4.970 -2.131 -7.141 1.00 0.81 H new ATOM 0 HB2 LEU A 6 5.010 0.382 -6.641 1.00 0.95 H new ATOM 0 HB3 LEU A 6 3.674 0.082 -5.547 1.00 0.95 H new ATOM 0 HG LEU A 6 5.755 0.240 -4.403 1.00 1.26 H new ATOM 0 HD11 LEU A 6 5.741 -1.836 -3.050 1.00 2.15 H new ATOM 0 HD12 LEU A 6 4.118 -1.164 -3.333 1.00 2.15 H new ATOM 0 HD13 LEU A 6 4.667 -2.582 -4.257 1.00 2.15 H new ATOM 0 HD21 LEU A 6 7.532 -1.514 -4.592 1.00 3.04 H new ATOM 0 HD22 LEU A 6 6.662 -2.200 -5.984 1.00 3.04 H new ATOM 0 HD23 LEU A 6 7.337 -0.556 -6.078 1.00 3.04 H new ATOM 81 N GLU A 7 3.317 -3.762 -6.400 1.00 0.73 N ATOM 82 CA GLU A 7 2.517 -4.800 -5.797 1.00 0.78 C ATOM 83 C GLU A 7 3.223 -5.260 -4.520 1.00 0.75 C ATOM 84 O GLU A 7 4.240 -5.956 -4.612 1.00 0.96 O ATOM 85 CB GLU A 7 2.351 -5.930 -6.826 1.00 0.96 C ATOM 86 CG GLU A 7 0.899 -6.402 -6.855 1.00 1.10 C ATOM 87 CD GLU A 7 -0.026 -5.496 -7.641 1.00 0.92 C ATOM 88 OE1 GLU A 7 0.403 -4.386 -8.006 1.00 2.11 O ATOM 89 OE2 GLU A 7 -1.155 -5.985 -7.889 1.00 1.77 O ATOM 0 H GLU A 7 4.047 -4.115 -7.019 1.00 0.73 H new ATOM 0 HA GLU A 7 1.521 -4.453 -5.520 1.00 0.78 H new ATOM 0 HB2 GLU A 7 2.648 -5.579 -7.814 1.00 0.96 H new ATOM 0 HB3 GLU A 7 3.008 -6.763 -6.573 1.00 0.96 H new ATOM 0 HG2 GLU A 7 0.861 -7.403 -7.284 1.00 1.10 H new ATOM 0 HG3 GLU A 7 0.532 -6.480 -5.832 1.00 1.10 H new ATOM 96 N LEU A 8 2.710 -4.886 -3.341 1.00 0.62 N ATOM 97 CA LEU A 8 3.193 -5.438 -2.077 1.00 0.64 C ATOM 98 C LEU A 8 2.110 -6.290 -1.422 1.00 0.49 C ATOM 99 O LEU A 8 0.933 -5.938 -1.467 1.00 0.49 O ATOM 100 CB LEU A 8 3.834 -4.358 -1.179 1.00 0.87 C ATOM 101 CG LEU A 8 2.956 -3.232 -0.611 1.00 0.78 C ATOM 102 CD1 LEU A 8 2.142 -3.681 0.609 1.00 1.96 C ATOM 103 CD2 LEU A 8 3.868 -2.089 -0.147 1.00 1.63 C ATOM 0 H LEU A 8 1.960 -4.202 -3.240 1.00 0.62 H new ATOM 0 HA LEU A 8 4.019 -6.123 -2.270 1.00 0.64 H new ATOM 0 HB2 LEU A 8 4.299 -4.868 -0.335 1.00 0.87 H new ATOM 0 HB3 LEU A 8 4.636 -3.891 -1.751 1.00 0.87 H new ATOM 0 HG LEU A 8 2.268 -2.928 -1.400 1.00 0.78 H new ATOM 0 HD11 LEU A 8 1.539 -2.848 0.971 1.00 1.96 H new ATOM 0 HD12 LEU A 8 1.488 -4.506 0.327 1.00 1.96 H new ATOM 0 HD13 LEU A 8 2.819 -4.008 1.398 1.00 1.96 H new ATOM 0 HD21 LEU A 8 3.260 -1.281 0.259 1.00 1.63 H new ATOM 0 HD22 LEU A 8 4.547 -2.455 0.623 1.00 1.63 H new ATOM 0 HD23 LEU A 8 4.446 -1.718 -0.994 1.00 1.63 H new ATOM 115 N VAL A 9 2.494 -7.431 -0.842 1.00 0.49 N ATOM 116 CA VAL A 9 1.608 -8.188 0.026 1.00 0.47 C ATOM 117 C VAL A 9 1.616 -7.498 1.389 1.00 0.46 C ATOM 118 O VAL A 9 2.645 -6.953 1.801 1.00 0.60 O ATOM 119 CB VAL A 9 1.984 -9.680 0.065 1.00 0.60 C ATOM 120 CG1 VAL A 9 3.251 -9.983 0.872 1.00 1.50 C ATOM 121 CG2 VAL A 9 0.828 -10.526 0.615 1.00 1.62 C ATOM 0 H VAL A 9 3.418 -7.846 -0.963 1.00 0.49 H new ATOM 0 HA VAL A 9 0.587 -8.192 -0.355 1.00 0.47 H new ATOM 0 HB VAL A 9 2.190 -9.946 -0.972 1.00 0.60 H new ATOM 0 HG11 VAL A 9 3.448 -11.055 0.851 1.00 1.50 H new ATOM 0 HG12 VAL A 9 4.096 -9.450 0.436 1.00 1.50 H new ATOM 0 HG13 VAL A 9 3.111 -9.660 1.904 1.00 1.50 H new ATOM 0 HG21 VAL A 9 1.121 -11.576 0.631 1.00 1.62 H new ATOM 0 HG22 VAL A 9 0.588 -10.200 1.627 1.00 1.62 H new ATOM 0 HG23 VAL A 9 -0.048 -10.404 -0.022 1.00 1.62 H new ATOM 131 N VAL A 10 0.461 -7.484 2.056 1.00 0.45 N ATOM 132 CA VAL A 10 0.301 -6.910 3.383 1.00 0.46 C ATOM 133 C VAL A 10 0.084 -8.067 4.356 1.00 0.63 C ATOM 134 O VAL A 10 -0.369 -9.134 3.950 1.00 1.29 O ATOM 135 CB VAL A 10 -0.888 -5.931 3.393 1.00 0.61 C ATOM 136 CG1 VAL A 10 -0.953 -5.181 4.730 1.00 1.72 C ATOM 137 CG2 VAL A 10 -0.773 -4.885 2.280 1.00 1.44 C ATOM 0 H VAL A 10 -0.401 -7.879 1.679 1.00 0.45 H new ATOM 0 HA VAL A 10 1.184 -6.343 3.678 1.00 0.46 H new ATOM 0 HB VAL A 10 -1.786 -6.529 3.239 1.00 0.61 H new ATOM 0 HG11 VAL A 10 -1.799 -4.493 4.721 1.00 1.72 H new ATOM 0 HG12 VAL A 10 -1.076 -5.897 5.543 1.00 1.72 H new ATOM 0 HG13 VAL A 10 -0.030 -4.620 4.877 1.00 1.72 H new ATOM 0 HG21 VAL A 10 -1.631 -4.214 2.321 1.00 1.44 H new ATOM 0 HG22 VAL A 10 0.144 -4.311 2.414 1.00 1.44 H new ATOM 0 HG23 VAL A 10 -0.750 -5.385 1.312 1.00 1.44 H new ATOM 147 N ARG A 11 0.393 -7.865 5.635 1.00 0.58 N ATOM 148 CA ARG A 11 0.160 -8.827 6.697 1.00 0.76 C ATOM 149 C ARG A 11 -0.366 -8.074 7.916 1.00 0.76 C ATOM 150 O ARG A 11 0.288 -7.150 8.392 1.00 0.92 O ATOM 151 CB ARG A 11 1.475 -9.564 6.999 1.00 1.07 C ATOM 152 CG ARG A 11 1.521 -10.944 6.345 1.00 1.36 C ATOM 153 CD ARG A 11 0.739 -11.965 7.178 1.00 2.79 C ATOM 154 NE ARG A 11 0.516 -13.205 6.419 1.00 4.41 N ATOM 155 CZ ARG A 11 -0.174 -14.266 6.868 1.00 6.15 C ATOM 156 NH1 ARG A 11 -0.684 -14.253 8.105 1.00 6.66 N ATOM 157 NH2 ARG A 11 -0.350 -15.333 6.080 1.00 7.74 N ATOM 0 H ARG A 11 0.824 -7.002 5.965 1.00 0.58 H new ATOM 0 HA ARG A 11 -0.580 -9.573 6.406 1.00 0.76 H new ATOM 0 HB2 ARG A 11 2.315 -8.967 6.645 1.00 1.07 H new ATOM 0 HB3 ARG A 11 1.592 -9.670 8.078 1.00 1.07 H new ATOM 0 HG2 ARG A 11 1.102 -10.890 5.340 1.00 1.36 H new ATOM 0 HG3 ARG A 11 2.556 -11.268 6.241 1.00 1.36 H new ATOM 0 HD2 ARG A 11 1.287 -12.188 8.094 1.00 2.79 H new ATOM 0 HD3 ARG A 11 -0.219 -11.539 7.476 1.00 2.79 H new ATOM 0 HE ARG A 11 0.915 -13.263 5.482 1.00 4.41 H new ATOM 0 HH11 ARG A 11 -0.548 -13.439 8.704 1.00 6.66 H new ATOM 0 HH12 ARG A 11 -1.209 -15.057 8.449 1.00 6.66 H new ATOM 0 HH21 ARG A 11 0.040 -15.341 5.138 1.00 7.74 H new ATOM 0 HH22 ARG A 11 -0.874 -16.138 6.422 1.00 7.74 H new ATOM 171 N GLY A 12 -1.554 -8.448 8.401 1.00 0.85 N ATOM 172 CA GLY A 12 -2.181 -7.869 9.585 1.00 0.97 C ATOM 173 C GLY A 12 -3.591 -7.394 9.247 1.00 1.01 C ATOM 174 O GLY A 12 -4.542 -7.672 9.974 1.00 1.54 O ATOM 0 H GLY A 12 -2.117 -9.180 7.968 1.00 0.85 H new ATOM 0 HA2 GLY A 12 -2.219 -8.608 10.385 1.00 0.97 H new ATOM 0 HA3 GLY A 12 -1.584 -7.033 9.951 1.00 0.97 H new ATOM 178 N MET A 13 -3.732 -6.696 8.117 1.00 0.97 N ATOM 179 CA MET A 13 -5.033 -6.359 7.559 1.00 0.92 C ATOM 180 C MET A 13 -5.852 -7.634 7.343 1.00 1.02 C ATOM 181 O MET A 13 -5.294 -8.663 6.962 1.00 1.63 O ATOM 182 CB MET A 13 -4.846 -5.553 6.265 1.00 1.42 C ATOM 183 CG MET A 13 -4.174 -6.364 5.145 1.00 1.00 C ATOM 184 SD MET A 13 -5.265 -7.345 4.085 1.00 2.19 S ATOM 185 CE MET A 13 -5.814 -6.039 2.981 1.00 0.99 C ATOM 0 H MET A 13 -2.945 -6.351 7.568 1.00 0.97 H new ATOM 0 HA MET A 13 -5.591 -5.733 8.255 1.00 0.92 H new ATOM 0 HB2 MET A 13 -5.818 -5.201 5.919 1.00 1.42 H new ATOM 0 HB3 MET A 13 -4.244 -4.669 6.477 1.00 1.42 H new ATOM 0 HG2 MET A 13 -3.616 -5.673 4.513 1.00 1.00 H new ATOM 0 HG3 MET A 13 -3.448 -7.037 5.601 1.00 1.00 H new ATOM 0 HE1 MET A 13 -6.608 -6.417 2.337 1.00 0.99 H new ATOM 0 HE2 MET A 13 -6.190 -5.201 3.568 1.00 0.99 H new ATOM 0 HE3 MET A 13 -4.977 -5.706 2.367 1.00 0.99 H new ATOM 195 N THR A 14 -7.158 -7.582 7.629 1.00 0.86 N ATOM 196 CA THR A 14 -8.005 -8.770 7.621 1.00 1.29 C ATOM 197 C THR A 14 -9.500 -8.407 7.647 1.00 1.25 C ATOM 198 O THR A 14 -10.314 -9.224 8.075 1.00 2.30 O ATOM 199 CB THR A 14 -7.606 -9.679 8.806 1.00 1.81 C ATOM 200 OG1 THR A 14 -8.350 -10.881 8.801 1.00 2.73 O ATOM 201 CG2 THR A 14 -7.783 -8.983 10.162 1.00 1.45 C ATOM 0 H THR A 14 -7.650 -6.721 7.870 1.00 0.86 H new ATOM 0 HA THR A 14 -7.848 -9.315 6.690 1.00 1.29 H new ATOM 0 HB THR A 14 -6.548 -9.904 8.672 1.00 1.81 H new ATOM 0 HG1 THR A 14 -9.302 -10.676 8.689 1.00 2.73 H new ATOM 0 HG21 THR A 14 -7.489 -9.663 10.961 1.00 1.45 H new ATOM 0 HG22 THR A 14 -7.158 -8.091 10.197 1.00 1.45 H new ATOM 0 HG23 THR A 14 -8.828 -8.700 10.292 1.00 1.45 H new ATOM 209 N CYS A 15 -9.884 -7.199 7.219 1.00 0.95 N ATOM 210 CA CYS A 15 -11.265 -6.733 7.316 1.00 0.89 C ATOM 211 C CYS A 15 -11.423 -5.443 6.510 1.00 0.76 C ATOM 212 O CYS A 15 -10.477 -4.659 6.451 1.00 1.07 O ATOM 213 CB CYS A 15 -11.626 -6.487 8.788 1.00 1.31 C ATOM 214 SG CYS A 15 -13.271 -5.742 8.895 1.00 2.04 S ATOM 0 H CYS A 15 -9.247 -6.523 6.798 1.00 0.95 H new ATOM 0 HA CYS A 15 -11.937 -7.491 6.912 1.00 0.89 H new ATOM 0 HB2 CYS A 15 -11.605 -7.427 9.340 1.00 1.31 H new ATOM 0 HB3 CYS A 15 -10.888 -5.830 9.249 1.00 1.31 H new ATOM 0 HG CYS A 15 -13.574 -5.537 10.142 1.00 2.04 H new ATOM 220 N ALA A 16 -12.608 -5.229 5.919 1.00 0.64 N ATOM 221 CA ALA A 16 -13.021 -4.035 5.178 1.00 0.60 C ATOM 222 C ALA A 16 -12.486 -2.731 5.787 1.00 0.64 C ATOM 223 O ALA A 16 -12.059 -1.832 5.067 1.00 1.18 O ATOM 224 CB ALA A 16 -14.551 -3.994 5.111 1.00 0.75 C ATOM 0 H ALA A 16 -13.347 -5.931 5.950 1.00 0.64 H new ATOM 0 HA ALA A 16 -12.592 -4.106 4.178 1.00 0.60 H new ATOM 0 HB1 ALA A 16 -14.867 -3.108 4.561 1.00 0.75 H new ATOM 0 HB2 ALA A 16 -14.917 -4.886 4.603 1.00 0.75 H new ATOM 0 HB3 ALA A 16 -14.959 -3.959 6.121 1.00 0.75 H new ATOM 230 N SER A 17 -12.508 -2.639 7.117 1.00 0.50 N ATOM 231 CA SER A 17 -11.905 -1.545 7.864 1.00 0.48 C ATOM 232 C SER A 17 -10.424 -1.360 7.502 1.00 0.52 C ATOM 233 O SER A 17 -10.079 -0.471 6.735 1.00 0.92 O ATOM 234 CB SER A 17 -12.090 -1.836 9.351 1.00 0.60 C ATOM 235 OG SER A 17 -11.525 -3.095 9.679 1.00 0.72 O ATOM 0 H SER A 17 -12.954 -3.337 7.712 1.00 0.50 H new ATOM 0 HA SER A 17 -12.395 -0.606 7.607 1.00 0.48 H new ATOM 0 HB2 SER A 17 -11.618 -1.052 9.944 1.00 0.60 H new ATOM 0 HB3 SER A 17 -13.151 -1.829 9.601 1.00 0.60 H new ATOM 0 HG SER A 17 -12.148 -3.809 9.429 1.00 0.72 H new ATOM 241 N CYS A 18 -9.543 -2.195 8.062 1.00 0.45 N ATOM 242 CA CYS A 18 -8.108 -2.218 7.794 1.00 0.45 C ATOM 243 C CYS A 18 -7.831 -2.033 6.305 1.00 0.47 C ATOM 244 O CYS A 18 -7.005 -1.208 5.915 1.00 0.56 O ATOM 245 CB CYS A 18 -7.503 -3.545 8.264 1.00 0.61 C ATOM 246 SG CYS A 18 -7.507 -3.633 10.070 1.00 1.12 S ATOM 0 H CYS A 18 -9.825 -2.901 8.742 1.00 0.45 H new ATOM 0 HA CYS A 18 -7.649 -1.395 8.342 1.00 0.45 H new ATOM 0 HB2 CYS A 18 -8.072 -4.378 7.851 1.00 0.61 H new ATOM 0 HB3 CYS A 18 -6.483 -3.640 7.891 1.00 0.61 H new ATOM 0 HG CYS A 18 -6.993 -4.765 10.450 1.00 1.12 H new ATOM 252 N VAL A 19 -8.563 -2.789 5.484 1.00 0.52 N ATOM 253 CA VAL A 19 -8.551 -2.684 4.039 1.00 0.62 C ATOM 254 C VAL A 19 -8.656 -1.226 3.597 1.00 0.65 C ATOM 255 O VAL A 19 -7.700 -0.691 3.034 1.00 0.79 O ATOM 256 CB VAL A 19 -9.675 -3.554 3.464 1.00 0.67 C ATOM 257 CG1 VAL A 19 -10.072 -3.209 2.026 1.00 0.80 C ATOM 258 CG2 VAL A 19 -9.273 -5.020 3.542 1.00 0.82 C ATOM 0 H VAL A 19 -9.197 -3.511 5.826 1.00 0.52 H new ATOM 0 HA VAL A 19 -7.602 -3.053 3.649 1.00 0.62 H new ATOM 0 HB VAL A 19 -10.554 -3.351 4.075 1.00 0.67 H new ATOM 0 HG11 VAL A 19 -10.873 -3.873 1.700 1.00 0.80 H new ATOM 0 HG12 VAL A 19 -10.417 -2.176 1.982 1.00 0.80 H new ATOM 0 HG13 VAL A 19 -9.210 -3.332 1.371 1.00 0.80 H new ATOM 0 HG21 VAL A 19 -10.072 -5.639 3.133 1.00 0.82 H new ATOM 0 HG22 VAL A 19 -8.361 -5.178 2.966 1.00 0.82 H new ATOM 0 HG23 VAL A 19 -9.098 -5.294 4.582 1.00 0.82 H new ATOM 268 N HIS A 20 -9.800 -0.580 3.851 1.00 0.60 N ATOM 269 CA HIS A 20 -9.979 0.779 3.375 1.00 0.67 C ATOM 270 C HIS A 20 -9.073 1.765 4.141 1.00 0.64 C ATOM 271 O HIS A 20 -8.839 2.888 3.705 1.00 0.65 O ATOM 272 CB HIS A 20 -11.456 1.177 3.187 1.00 0.76 C ATOM 273 CG HIS A 20 -12.272 1.580 4.387 1.00 0.80 C ATOM 274 ND1 HIS A 20 -11.807 1.826 5.644 1.00 1.33 N flip ATOM 275 CD2 HIS A 20 -13.568 2.041 4.339 1.00 0.67 C flip ATOM 276 CE1 HIS A 20 -12.824 2.424 6.389 1.00 1.16 C flip ATOM 277 NE2 HIS A 20 -13.865 2.536 5.552 1.00 0.82 N flip ATOM 0 H HIS A 20 -10.589 -0.969 4.368 1.00 0.60 H new ATOM 0 HA HIS A 20 -9.617 0.836 2.348 1.00 0.67 H new ATOM 0 HB2 HIS A 20 -11.484 2.006 2.479 1.00 0.76 H new ATOM 0 HB3 HIS A 20 -11.964 0.336 2.714 1.00 0.76 H new ATOM 0 HD2 HIS A 20 -14.226 2.010 3.483 1.00 0.67 H new ATOM 0 HE1 HIS A 20 -12.781 2.732 7.423 1.00 1.16 H new ATOM 0 HE2 HIS A 20 -14.765 2.944 5.803 1.00 0.82 H new ATOM 285 N LYS A 21 -8.560 1.355 5.310 1.00 0.64 N ATOM 286 CA LYS A 21 -7.758 2.207 6.169 1.00 0.55 C ATOM 287 C LYS A 21 -6.426 2.462 5.480 1.00 0.47 C ATOM 288 O LYS A 21 -5.962 3.600 5.446 1.00 0.46 O ATOM 289 CB LYS A 21 -7.572 1.559 7.551 1.00 0.53 C ATOM 290 CG LYS A 21 -7.117 2.572 8.608 1.00 0.70 C ATOM 291 CD LYS A 21 -6.932 1.876 9.964 1.00 1.69 C ATOM 292 CE LYS A 21 -6.897 2.907 11.104 1.00 2.09 C ATOM 293 NZ LYS A 21 -6.513 2.300 12.397 1.00 3.34 N ATOM 0 H LYS A 21 -8.697 0.414 5.679 1.00 0.64 H new ATOM 0 HA LYS A 21 -8.261 3.160 6.334 1.00 0.55 H new ATOM 0 HB2 LYS A 21 -8.511 1.104 7.867 1.00 0.53 H new ATOM 0 HB3 LYS A 21 -6.837 0.757 7.479 1.00 0.53 H new ATOM 0 HG2 LYS A 21 -6.181 3.036 8.298 1.00 0.70 H new ATOM 0 HG3 LYS A 21 -7.854 3.370 8.698 1.00 0.70 H new ATOM 0 HD2 LYS A 21 -7.746 1.170 10.130 1.00 1.69 H new ATOM 0 HD3 LYS A 21 -6.007 1.300 9.959 1.00 1.69 H new ATOM 0 HE2 LYS A 21 -6.192 3.699 10.853 1.00 2.09 H new ATOM 0 HE3 LYS A 21 -7.878 3.372 11.200 1.00 2.09 H new ATOM 0 HZ1 LYS A 21 -6.503 3.033 13.135 1.00 3.34 H new ATOM 0 HZ2 LYS A 21 -7.200 1.562 12.651 1.00 3.34 H new ATOM 0 HZ3 LYS A 21 -5.566 1.878 12.315 1.00 3.34 H new ATOM 307 N ILE A 22 -5.827 1.399 4.932 1.00 0.45 N ATOM 308 CA ILE A 22 -4.599 1.500 4.159 1.00 0.43 C ATOM 309 C ILE A 22 -4.802 2.533 3.048 1.00 0.43 C ATOM 310 O ILE A 22 -4.217 3.611 3.109 1.00 0.41 O ATOM 311 CB ILE A 22 -4.175 0.110 3.641 1.00 0.43 C ATOM 312 CG1 ILE A 22 -3.779 -0.778 4.829 1.00 0.44 C ATOM 313 CG2 ILE A 22 -2.995 0.229 2.660 1.00 0.46 C ATOM 314 CD1 ILE A 22 -3.616 -2.262 4.493 1.00 0.52 C ATOM 0 H ILE A 22 -6.185 0.448 5.016 1.00 0.45 H new ATOM 0 HA ILE A 22 -3.774 1.847 4.782 1.00 0.43 H new ATOM 0 HB ILE A 22 -5.016 -0.338 3.112 1.00 0.43 H new ATOM 0 HG12 ILE A 22 -2.841 -0.409 5.244 1.00 0.44 H new ATOM 0 HG13 ILE A 22 -4.535 -0.677 5.608 1.00 0.44 H new ATOM 0 HG21 ILE A 22 -2.713 -0.763 2.308 1.00 0.46 H new ATOM 0 HG22 ILE A 22 -3.289 0.846 1.811 1.00 0.46 H new ATOM 0 HG23 ILE A 22 -2.146 0.689 3.166 1.00 0.46 H new ATOM 0 HD11 ILE A 22 -3.336 -2.810 5.393 1.00 0.52 H new ATOM 0 HD12 ILE A 22 -4.558 -2.653 4.108 1.00 0.52 H new ATOM 0 HD13 ILE A 22 -2.838 -2.381 3.739 1.00 0.52 H new ATOM 326 N GLU A 23 -5.632 2.224 2.051 1.00 0.55 N ATOM 327 CA GLU A 23 -5.914 3.117 0.930 1.00 0.52 C ATOM 328 C GLU A 23 -6.231 4.544 1.382 1.00 0.45 C ATOM 329 O GLU A 23 -5.519 5.477 0.995 1.00 0.47 O ATOM 330 CB GLU A 23 -6.996 2.534 0.008 1.00 0.68 C ATOM 331 CG GLU A 23 -8.198 1.883 0.685 1.00 1.23 C ATOM 332 CD GLU A 23 -9.492 2.664 0.486 1.00 2.40 C ATOM 333 OE1 GLU A 23 -9.494 3.859 0.846 1.00 3.70 O ATOM 334 OE2 GLU A 23 -10.457 2.044 -0.007 1.00 2.85 O ATOM 0 H GLU A 23 -6.132 1.336 2.000 1.00 0.55 H new ATOM 0 HA GLU A 23 -5.000 3.191 0.341 1.00 0.52 H new ATOM 0 HB2 GLU A 23 -7.361 3.334 -0.636 1.00 0.68 H new ATOM 0 HB3 GLU A 23 -6.528 1.792 -0.639 1.00 0.68 H new ATOM 0 HG2 GLU A 23 -8.326 0.874 0.293 1.00 1.23 H new ATOM 0 HG3 GLU A 23 -7.999 1.788 1.752 1.00 1.23 H new ATOM 341 N SER A 24 -7.268 4.716 2.202 1.00 0.51 N ATOM 342 CA SER A 24 -7.713 6.021 2.660 1.00 0.58 C ATOM 343 C SER A 24 -6.555 6.779 3.317 1.00 0.57 C ATOM 344 O SER A 24 -6.370 7.967 3.055 1.00 0.73 O ATOM 345 CB SER A 24 -8.942 5.863 3.569 1.00 0.74 C ATOM 346 OG SER A 24 -9.469 7.125 3.931 1.00 1.06 O ATOM 0 H SER A 24 -7.824 3.943 2.567 1.00 0.51 H new ATOM 0 HA SER A 24 -8.028 6.630 1.812 1.00 0.58 H new ATOM 0 HB2 SER A 24 -9.706 5.279 3.056 1.00 0.74 H new ATOM 0 HB3 SER A 24 -8.667 5.309 4.466 1.00 0.74 H new ATOM 0 HG SER A 24 -10.251 7.000 4.508 1.00 1.06 H new ATOM 352 N SER A 25 -5.739 6.094 4.127 1.00 0.46 N ATOM 353 CA SER A 25 -4.533 6.688 4.681 1.00 0.45 C ATOM 354 C SER A 25 -3.567 7.098 3.572 1.00 0.44 C ATOM 355 O SER A 25 -3.246 8.279 3.458 1.00 0.65 O ATOM 356 CB SER A 25 -3.882 5.756 5.709 1.00 0.44 C ATOM 357 OG SER A 25 -2.803 6.411 6.348 1.00 0.81 O ATOM 0 H SER A 25 -5.899 5.127 4.409 1.00 0.46 H new ATOM 0 HA SER A 25 -4.810 7.598 5.212 1.00 0.45 H new ATOM 0 HB2 SER A 25 -4.620 5.448 6.450 1.00 0.44 H new ATOM 0 HB3 SER A 25 -3.527 4.851 5.217 1.00 0.44 H new ATOM 0 HG SER A 25 -2.974 6.459 7.312 1.00 0.81 H new ATOM 363 N LEU A 26 -3.081 6.165 2.749 1.00 0.34 N ATOM 364 CA LEU A 26 -1.995 6.526 1.849 1.00 0.40 C ATOM 365 C LEU A 26 -2.422 7.613 0.870 1.00 0.43 C ATOM 366 O LEU A 26 -1.631 8.484 0.531 1.00 0.49 O ATOM 367 CB LEU A 26 -1.414 5.368 1.044 1.00 0.47 C ATOM 368 CG LEU A 26 -1.171 4.054 1.776 1.00 0.53 C ATOM 369 CD1 LEU A 26 -0.510 3.106 0.782 1.00 1.72 C ATOM 370 CD2 LEU A 26 -0.291 4.244 3.009 1.00 1.57 C ATOM 0 H LEU A 26 -3.406 5.200 2.689 1.00 0.34 H new ATOM 0 HA LEU A 26 -1.212 6.882 2.519 1.00 0.40 H new ATOM 0 HB2 LEU A 26 -2.086 5.169 0.209 1.00 0.47 H new ATOM 0 HB3 LEU A 26 -0.466 5.696 0.619 1.00 0.47 H new ATOM 0 HG LEU A 26 -2.116 3.648 2.137 1.00 0.53 H new ATOM 0 HD11 LEU A 26 -0.317 2.148 1.266 1.00 1.72 H new ATOM 0 HD12 LEU A 26 -1.171 2.955 -0.071 1.00 1.72 H new ATOM 0 HD13 LEU A 26 0.431 3.536 0.440 1.00 1.72 H new ATOM 0 HD21 LEU A 26 -0.143 3.283 3.502 1.00 1.57 H new ATOM 0 HD22 LEU A 26 0.675 4.650 2.708 1.00 1.57 H new ATOM 0 HD23 LEU A 26 -0.776 4.934 3.699 1.00 1.57 H new ATOM 382 N THR A 27 -3.677 7.585 0.424 1.00 0.46 N ATOM 383 CA THR A 27 -4.194 8.573 -0.515 1.00 0.56 C ATOM 384 C THR A 27 -4.068 10.012 0.028 1.00 0.69 C ATOM 385 O THR A 27 -4.169 10.970 -0.734 1.00 1.26 O ATOM 386 CB THR A 27 -5.620 8.165 -0.923 1.00 0.60 C ATOM 387 OG1 THR A 27 -5.598 6.831 -1.401 1.00 1.37 O ATOM 388 CG2 THR A 27 -6.183 9.027 -2.056 1.00 1.37 C ATOM 0 H THR A 27 -4.359 6.880 0.703 1.00 0.46 H new ATOM 0 HA THR A 27 -3.586 8.586 -1.420 1.00 0.56 H new ATOM 0 HB THR A 27 -6.246 8.288 -0.039 1.00 0.60 H new ATOM 0 HG1 THR A 27 -5.631 6.211 -0.643 1.00 1.37 H new ATOM 0 HG21 THR A 27 -7.191 8.693 -2.301 1.00 1.37 H new ATOM 0 HG22 THR A 27 -6.213 10.070 -1.739 1.00 1.37 H new ATOM 0 HG23 THR A 27 -5.546 8.933 -2.935 1.00 1.37 H new ATOM 396 N LYS A 28 -3.798 10.188 1.330 1.00 0.71 N ATOM 397 CA LYS A 28 -3.431 11.478 1.899 1.00 0.70 C ATOM 398 C LYS A 28 -2.120 12.002 1.287 1.00 0.58 C ATOM 399 O LYS A 28 -1.995 13.203 1.046 1.00 0.70 O ATOM 400 CB LYS A 28 -3.285 11.348 3.423 1.00 0.79 C ATOM 401 CG LYS A 28 -4.539 10.784 4.117 1.00 1.60 C ATOM 402 CD LYS A 28 -5.545 11.853 4.564 1.00 2.74 C ATOM 403 CE LYS A 28 -5.062 12.612 5.810 1.00 3.29 C ATOM 404 NZ LYS A 28 -6.086 13.547 6.319 1.00 4.49 N ATOM 0 H LYS A 28 -3.830 9.432 2.014 1.00 0.71 H new ATOM 0 HA LYS A 28 -4.221 12.193 1.668 1.00 0.70 H new ATOM 0 HB2 LYS A 28 -2.436 10.701 3.644 1.00 0.79 H new ATOM 0 HB3 LYS A 28 -3.058 12.328 3.843 1.00 0.79 H new ATOM 0 HG2 LYS A 28 -5.038 10.094 3.437 1.00 1.60 H new ATOM 0 HG3 LYS A 28 -4.230 10.206 4.988 1.00 1.60 H new ATOM 0 HD2 LYS A 28 -5.709 12.559 3.750 1.00 2.74 H new ATOM 0 HD3 LYS A 28 -6.505 11.382 4.776 1.00 2.74 H new ATOM 0 HE2 LYS A 28 -4.802 11.898 6.592 1.00 3.29 H new ATOM 0 HE3 LYS A 28 -4.154 13.165 5.569 1.00 3.29 H new ATOM 0 HZ1 LYS A 28 -5.720 14.038 7.159 1.00 4.49 H new ATOM 0 HZ2 LYS A 28 -6.316 14.245 5.583 1.00 4.49 H new ATOM 0 HZ3 LYS A 28 -6.944 13.017 6.574 1.00 4.49 H new ATOM 418 N HIS A 29 -1.127 11.129 1.074 1.00 0.52 N ATOM 419 CA HIS A 29 0.159 11.526 0.516 1.00 0.54 C ATOM 420 C HIS A 29 -0.028 11.954 -0.941 1.00 0.76 C ATOM 421 O HIS A 29 -0.442 11.153 -1.776 1.00 2.17 O ATOM 422 CB HIS A 29 1.195 10.390 0.554 1.00 0.62 C ATOM 423 CG HIS A 29 1.329 9.609 1.837 1.00 0.59 C ATOM 424 ND1 HIS A 29 2.066 9.960 2.944 1.00 1.32 N ATOM 425 CD2 HIS A 29 0.988 8.292 1.989 1.00 0.69 C ATOM 426 CE1 HIS A 29 2.088 8.892 3.760 1.00 1.19 C ATOM 427 NE2 HIS A 29 1.422 7.851 3.237 1.00 0.68 N ATOM 0 H HIS A 29 -1.198 10.134 1.285 1.00 0.52 H new ATOM 0 HA HIS A 29 0.531 12.348 1.128 1.00 0.54 H new ATOM 0 HB2 HIS A 29 0.952 9.687 -0.243 1.00 0.62 H new ATOM 0 HB3 HIS A 29 2.170 10.816 0.317 1.00 0.62 H new ATOM 0 HD1 HIS A 29 2.512 10.861 3.114 1.00 1.32 H new ATOM 0 HD2 HIS A 29 0.466 7.691 1.259 1.00 0.69 H new ATOM 0 HE1 HIS A 29 2.582 8.874 4.720 1.00 1.19 H new ATOM 435 N ARG A 30 0.351 13.182 -1.292 1.00 1.15 N ATOM 436 CA ARG A 30 0.236 13.696 -2.654 1.00 1.15 C ATOM 437 C ARG A 30 1.395 13.206 -3.528 1.00 1.23 C ATOM 438 O ARG A 30 2.054 13.999 -4.195 1.00 2.03 O ATOM 439 CB ARG A 30 0.127 15.226 -2.626 1.00 1.26 C ATOM 440 CG ARG A 30 -1.081 15.690 -1.801 1.00 2.17 C ATOM 441 CD ARG A 30 -1.168 17.219 -1.809 1.00 2.66 C ATOM 442 NE ARG A 30 -2.306 17.685 -1.001 1.00 4.03 N ATOM 443 CZ ARG A 30 -2.615 18.974 -0.786 1.00 4.88 C ATOM 444 NH1 ARG A 30 -1.860 19.937 -1.327 1.00 4.65 N ATOM 445 NH2 ARG A 30 -3.672 19.293 -0.030 1.00 6.37 N ATOM 0 H ARG A 30 0.749 13.852 -0.634 1.00 1.15 H new ATOM 0 HA ARG A 30 -0.676 13.308 -3.108 1.00 1.15 H new ATOM 0 HB2 ARG A 30 1.040 15.649 -2.206 1.00 1.26 H new ATOM 0 HB3 ARG A 30 0.040 15.604 -3.645 1.00 1.26 H new ATOM 0 HG2 ARG A 30 -1.997 15.264 -2.211 1.00 2.17 H new ATOM 0 HG3 ARG A 30 -0.992 15.328 -0.777 1.00 2.17 H new ATOM 0 HD2 ARG A 30 -0.242 17.642 -1.418 1.00 2.66 H new ATOM 0 HD3 ARG A 30 -1.274 17.576 -2.833 1.00 2.66 H new ATOM 0 HE ARG A 30 -2.903 16.978 -0.573 1.00 4.03 H new ATOM 0 HH11 ARG A 30 -1.053 19.691 -1.900 1.00 4.65 H new ATOM 0 HH12 ARG A 30 -2.091 20.917 -1.166 1.00 4.65 H new ATOM 0 HH21 ARG A 30 -4.244 18.557 0.384 1.00 6.37 H new ATOM 0 HH22 ARG A 30 -3.906 20.272 0.133 1.00 6.37 H new ATOM 459 N GLY A 31 1.661 11.901 -3.473 1.00 0.70 N ATOM 460 CA GLY A 31 2.738 11.236 -4.191 1.00 0.83 C ATOM 461 C GLY A 31 2.317 9.852 -4.675 1.00 0.75 C ATOM 462 O GLY A 31 2.743 9.409 -5.740 1.00 0.89 O ATOM 0 H GLY A 31 1.109 11.258 -2.905 1.00 0.70 H new ATOM 0 HA2 GLY A 31 3.038 11.845 -5.044 1.00 0.83 H new ATOM 0 HA3 GLY A 31 3.609 11.146 -3.541 1.00 0.83 H new ATOM 466 N ILE A 32 1.456 9.169 -3.913 1.00 0.90 N ATOM 467 CA ILE A 32 0.884 7.911 -4.354 1.00 0.86 C ATOM 468 C ILE A 32 -0.242 8.196 -5.348 1.00 0.84 C ATOM 469 O ILE A 32 -0.972 9.174 -5.205 1.00 0.99 O ATOM 470 CB ILE A 32 0.433 7.074 -3.148 1.00 0.88 C ATOM 471 CG1 ILE A 32 -0.075 5.704 -3.618 1.00 1.69 C ATOM 472 CG2 ILE A 32 -0.651 7.753 -2.310 1.00 1.99 C ATOM 473 CD1 ILE A 32 -0.034 4.661 -2.506 1.00 2.65 C ATOM 0 H ILE A 32 1.146 9.473 -2.990 1.00 0.90 H new ATOM 0 HA ILE A 32 1.633 7.312 -4.871 1.00 0.86 H new ATOM 0 HB ILE A 32 1.309 6.961 -2.510 1.00 0.88 H new ATOM 0 HG12 ILE A 32 -1.097 5.803 -3.983 1.00 1.69 H new ATOM 0 HG13 ILE A 32 0.531 5.362 -4.457 1.00 1.69 H new ATOM 0 HG21 ILE A 32 -0.923 7.107 -1.475 1.00 1.99 H new ATOM 0 HG22 ILE A 32 -0.274 8.702 -1.928 1.00 1.99 H new ATOM 0 HG23 ILE A 32 -1.529 7.934 -2.929 1.00 1.99 H new ATOM 0 HD11 ILE A 32 -0.403 3.709 -2.887 1.00 2.65 H new ATOM 0 HD12 ILE A 32 0.992 4.540 -2.158 1.00 2.65 H new ATOM 0 HD13 ILE A 32 -0.662 4.988 -1.677 1.00 2.65 H new ATOM 485 N LEU A 33 -0.348 7.353 -6.374 1.00 0.80 N ATOM 486 CA LEU A 33 -1.293 7.493 -7.468 1.00 0.86 C ATOM 487 C LEU A 33 -2.460 6.528 -7.291 1.00 0.85 C ATOM 488 O LEU A 33 -3.579 6.861 -7.676 1.00 0.89 O ATOM 489 CB LEU A 33 -0.577 7.260 -8.808 1.00 0.99 C ATOM 490 CG LEU A 33 0.674 8.136 -9.000 1.00 1.13 C ATOM 491 CD1 LEU A 33 1.333 7.790 -10.339 1.00 1.63 C ATOM 492 CD2 LEU A 33 0.342 9.634 -8.967 1.00 1.24 C ATOM 0 H LEU A 33 0.244 6.527 -6.465 1.00 0.80 H new ATOM 0 HA LEU A 33 -1.696 8.506 -7.465 1.00 0.86 H new ATOM 0 HB2 LEU A 33 -0.290 6.211 -8.879 1.00 0.99 H new ATOM 0 HB3 LEU A 33 -1.275 7.455 -9.622 1.00 0.99 H new ATOM 0 HG LEU A 33 1.354 7.930 -8.173 1.00 1.13 H new ATOM 0 HD11 LEU A 33 2.220 8.408 -10.479 1.00 1.63 H new ATOM 0 HD12 LEU A 33 1.620 6.738 -10.342 1.00 1.63 H new ATOM 0 HD13 LEU A 33 0.629 7.977 -11.150 1.00 1.63 H new ATOM 0 HD21 LEU A 33 1.255 10.212 -9.107 1.00 1.24 H new ATOM 0 HD22 LEU A 33 -0.362 9.868 -9.766 1.00 1.24 H new ATOM 0 HD23 LEU A 33 -0.104 9.887 -8.005 1.00 1.24 H new ATOM 504 N TYR A 34 -2.227 5.334 -6.735 1.00 0.86 N ATOM 505 CA TYR A 34 -3.268 4.335 -6.621 1.00 0.85 C ATOM 506 C TYR A 34 -2.944 3.407 -5.461 1.00 0.77 C ATOM 507 O TYR A 34 -1.771 3.269 -5.114 1.00 0.87 O ATOM 508 CB TYR A 34 -3.303 3.554 -7.932 1.00 1.18 C ATOM 509 CG TYR A 34 -4.578 2.803 -8.173 1.00 1.27 C ATOM 510 CD1 TYR A 34 -5.775 3.517 -8.329 1.00 1.50 C ATOM 511 CD2 TYR A 34 -4.564 1.404 -8.273 1.00 2.60 C ATOM 512 CE1 TYR A 34 -6.980 2.823 -8.490 1.00 1.66 C ATOM 513 CE2 TYR A 34 -5.760 0.718 -8.506 1.00 2.80 C ATOM 514 CZ TYR A 34 -6.978 1.420 -8.566 1.00 1.80 C ATOM 515 OH TYR A 34 -8.154 0.735 -8.518 1.00 2.11 O ATOM 0 H TYR A 34 -1.323 5.046 -6.360 1.00 0.86 H new ATOM 0 HA TYR A 34 -4.238 4.796 -6.435 1.00 0.85 H new ATOM 0 HB2 TYR A 34 -3.142 4.247 -8.758 1.00 1.18 H new ATOM 0 HB3 TYR A 34 -2.473 2.848 -7.942 1.00 1.18 H new ATOM 0 HD1 TYR A 34 -5.767 4.597 -8.325 1.00 1.50 H new ATOM 0 HD2 TYR A 34 -3.636 0.861 -8.171 1.00 2.60 H new ATOM 0 HE1 TYR A 34 -7.911 3.366 -8.556 1.00 1.66 H new ATOM 0 HE2 TYR A 34 -5.749 -0.354 -8.640 1.00 2.80 H new ATOM 0 HH TYR A 34 -8.140 0.115 -7.760 1.00 2.11 H new ATOM 525 N CYS A 35 -3.970 2.773 -4.884 1.00 0.72 N ATOM 526 CA CYS A 35 -3.822 1.826 -3.788 1.00 0.72 C ATOM 527 C CYS A 35 -5.009 0.858 -3.749 1.00 0.78 C ATOM 528 O CYS A 35 -5.938 1.046 -2.970 1.00 1.41 O ATOM 529 CB CYS A 35 -3.650 2.572 -2.462 1.00 0.81 C ATOM 530 SG CYS A 35 -3.184 1.344 -1.223 1.00 2.23 S ATOM 0 H CYS A 35 -4.938 2.909 -5.174 1.00 0.72 H new ATOM 0 HA CYS A 35 -2.923 1.231 -3.951 1.00 0.72 H new ATOM 0 HB2 CYS A 35 -2.884 3.342 -2.549 1.00 0.81 H new ATOM 0 HB3 CYS A 35 -4.575 3.074 -2.179 1.00 0.81 H new ATOM 0 HG CYS A 35 -1.889 1.235 -1.186 1.00 2.23 H new ATOM 536 N SER A 36 -5.009 -0.175 -4.600 1.00 0.54 N ATOM 537 CA SER A 36 -6.021 -1.226 -4.525 1.00 0.60 C ATOM 538 C SER A 36 -5.595 -2.303 -3.527 1.00 0.47 C ATOM 539 O SER A 36 -4.817 -3.198 -3.859 1.00 0.51 O ATOM 540 CB SER A 36 -6.386 -1.782 -5.903 1.00 0.77 C ATOM 541 OG SER A 36 -7.243 -0.861 -6.543 1.00 1.45 O ATOM 0 H SER A 36 -4.322 -0.302 -5.343 1.00 0.54 H new ATOM 0 HA SER A 36 -6.945 -0.787 -4.148 1.00 0.60 H new ATOM 0 HB2 SER A 36 -5.487 -1.940 -6.498 1.00 0.77 H new ATOM 0 HB3 SER A 36 -6.877 -2.750 -5.803 1.00 0.77 H new ATOM 0 HG SER A 36 -6.709 -0.151 -6.957 1.00 1.45 H new ATOM 547 N VAL A 37 -6.114 -2.190 -2.302 1.00 0.40 N ATOM 548 CA VAL A 37 -5.868 -3.093 -1.187 1.00 0.35 C ATOM 549 C VAL A 37 -6.839 -4.271 -1.288 1.00 0.41 C ATOM 550 O VAL A 37 -7.878 -4.304 -0.629 1.00 0.55 O ATOM 551 CB VAL A 37 -5.983 -2.299 0.134 1.00 0.61 C ATOM 552 CG1 VAL A 37 -5.568 -3.141 1.338 1.00 1.20 C ATOM 553 CG2 VAL A 37 -5.104 -1.049 0.090 1.00 2.08 C ATOM 0 H VAL A 37 -6.746 -1.429 -2.054 1.00 0.40 H new ATOM 0 HA VAL A 37 -4.861 -3.510 -1.213 1.00 0.35 H new ATOM 0 HB VAL A 37 -7.030 -2.017 0.242 1.00 0.61 H new ATOM 0 HG11 VAL A 37 -5.663 -2.547 2.247 1.00 1.20 H new ATOM 0 HG12 VAL A 37 -6.212 -4.018 1.408 1.00 1.20 H new ATOM 0 HG13 VAL A 37 -4.533 -3.460 1.219 1.00 1.20 H new ATOM 0 HG21 VAL A 37 -5.199 -0.504 1.029 1.00 2.08 H new ATOM 0 HG22 VAL A 37 -4.064 -1.341 -0.057 1.00 2.08 H new ATOM 0 HG23 VAL A 37 -5.421 -0.410 -0.734 1.00 2.08 H new ATOM 563 N ALA A 38 -6.521 -5.243 -2.143 1.00 0.51 N ATOM 564 CA ALA A 38 -7.404 -6.351 -2.428 1.00 0.62 C ATOM 565 C ALA A 38 -7.157 -7.455 -1.403 1.00 0.60 C ATOM 566 O ALA A 38 -6.296 -8.315 -1.595 1.00 0.61 O ATOM 567 CB ALA A 38 -7.185 -6.809 -3.869 1.00 0.75 C ATOM 0 H ALA A 38 -5.639 -5.275 -2.654 1.00 0.51 H new ATOM 0 HA ALA A 38 -8.450 -6.058 -2.343 1.00 0.62 H new ATOM 0 HB1 ALA A 38 -7.849 -7.645 -4.090 1.00 0.75 H new ATOM 0 HB2 ALA A 38 -7.400 -5.985 -4.549 1.00 0.75 H new ATOM 0 HB3 ALA A 38 -6.149 -7.124 -3.997 1.00 0.75 H new ATOM 573 N LEU A 39 -7.950 -7.449 -0.328 1.00 0.62 N ATOM 574 CA LEU A 39 -7.978 -8.503 0.685 1.00 0.65 C ATOM 575 C LEU A 39 -8.034 -9.894 0.057 1.00 0.69 C ATOM 576 O LEU A 39 -7.395 -10.816 0.558 1.00 0.73 O ATOM 577 CB LEU A 39 -9.160 -8.271 1.635 1.00 0.72 C ATOM 578 CG LEU A 39 -9.207 -9.276 2.802 1.00 0.98 C ATOM 579 CD1 LEU A 39 -9.661 -8.577 4.088 1.00 1.47 C ATOM 580 CD2 LEU A 39 -10.172 -10.435 2.515 1.00 1.89 C ATOM 0 H LEU A 39 -8.606 -6.692 -0.135 1.00 0.62 H new ATOM 0 HA LEU A 39 -7.050 -8.457 1.256 1.00 0.65 H new ATOM 0 HB2 LEU A 39 -9.101 -7.260 2.037 1.00 0.72 H new ATOM 0 HB3 LEU A 39 -10.090 -8.336 1.070 1.00 0.72 H new ATOM 0 HG LEU A 39 -8.199 -9.674 2.921 1.00 0.98 H new ATOM 0 HD11 LEU A 39 -9.690 -9.299 4.904 1.00 1.47 H new ATOM 0 HD12 LEU A 39 -8.961 -7.778 4.335 1.00 1.47 H new ATOM 0 HD13 LEU A 39 -10.656 -8.156 3.941 1.00 1.47 H new ATOM 0 HD21 LEU A 39 -10.177 -11.122 3.361 1.00 1.89 H new ATOM 0 HD22 LEU A 39 -11.177 -10.042 2.360 1.00 1.89 H new ATOM 0 HD23 LEU A 39 -9.848 -10.965 1.619 1.00 1.89 H new ATOM 592 N ALA A 40 -8.739 -10.036 -1.071 1.00 0.74 N ATOM 593 CA ALA A 40 -8.873 -11.302 -1.785 1.00 0.83 C ATOM 594 C ALA A 40 -7.511 -11.928 -2.097 1.00 0.83 C ATOM 595 O ALA A 40 -7.390 -13.147 -2.184 1.00 0.97 O ATOM 596 CB ALA A 40 -9.646 -11.072 -3.084 1.00 0.90 C ATOM 0 H ALA A 40 -9.236 -9.264 -1.515 1.00 0.74 H new ATOM 0 HA ALA A 40 -9.415 -11.996 -1.142 1.00 0.83 H new ATOM 0 HB1 ALA A 40 -9.747 -12.016 -3.619 1.00 0.90 H new ATOM 0 HB2 ALA A 40 -10.636 -10.677 -2.854 1.00 0.90 H new ATOM 0 HB3 ALA A 40 -9.107 -10.358 -3.707 1.00 0.90 H new ATOM 602 N THR A 41 -6.498 -11.081 -2.286 1.00 0.72 N ATOM 603 CA THR A 41 -5.131 -11.457 -2.593 1.00 0.73 C ATOM 604 C THR A 41 -4.184 -10.911 -1.508 1.00 0.67 C ATOM 605 O THR A 41 -2.969 -10.917 -1.697 1.00 0.72 O ATOM 606 CB THR A 41 -4.818 -10.980 -4.026 1.00 0.79 C ATOM 607 OG1 THR A 41 -3.445 -11.077 -4.362 1.00 1.26 O ATOM 608 CG2 THR A 41 -5.329 -9.571 -4.326 1.00 1.44 C ATOM 0 H THR A 41 -6.621 -10.070 -2.225 1.00 0.72 H new ATOM 0 HA THR A 41 -4.985 -12.537 -2.578 1.00 0.73 H new ATOM 0 HB THR A 41 -5.370 -11.675 -4.659 1.00 0.79 H new ATOM 0 HG1 THR A 41 -2.905 -11.048 -3.545 1.00 1.26 H new ATOM 0 HG21 THR A 41 -5.073 -9.302 -5.351 1.00 1.44 H new ATOM 0 HG22 THR A 41 -6.412 -9.543 -4.203 1.00 1.44 H new ATOM 0 HG23 THR A 41 -4.867 -8.862 -3.639 1.00 1.44 H new ATOM 616 N ASN A 42 -4.736 -10.457 -0.375 1.00 0.61 N ATOM 617 CA ASN A 42 -4.043 -9.962 0.802 1.00 0.61 C ATOM 618 C ASN A 42 -2.978 -8.907 0.471 1.00 0.53 C ATOM 619 O ASN A 42 -1.942 -8.830 1.139 1.00 0.65 O ATOM 620 CB ASN A 42 -3.505 -11.163 1.598 1.00 0.93 C ATOM 621 CG ASN A 42 -3.582 -10.909 3.096 1.00 1.03 C ATOM 622 OD1 ASN A 42 -4.172 -11.683 3.842 1.00 1.88 O ATOM 623 ND2 ASN A 42 -3.009 -9.807 3.545 1.00 1.78 N ATOM 0 H ASN A 42 -5.749 -10.428 -0.258 1.00 0.61 H new ATOM 0 HA ASN A 42 -4.748 -9.422 1.434 1.00 0.61 H new ATOM 0 HB2 ASN A 42 -4.079 -12.055 1.348 1.00 0.93 H new ATOM 0 HB3 ASN A 42 -2.471 -11.359 1.312 1.00 0.93 H new ATOM 0 HD21 ASN A 42 -3.050 -9.579 4.538 1.00 1.78 H new ATOM 0 HD22 ASN A 42 -2.526 -9.184 2.898 1.00 1.78 H new ATOM 630 N LYS A 43 -3.228 -8.097 -0.565 1.00 0.48 N ATOM 631 CA LYS A 43 -2.194 -7.328 -1.250 1.00 0.45 C ATOM 632 C LYS A 43 -2.655 -5.907 -1.543 1.00 0.38 C ATOM 633 O LYS A 43 -3.830 -5.677 -1.828 1.00 0.40 O ATOM 634 CB LYS A 43 -1.773 -8.103 -2.518 1.00 0.52 C ATOM 635 CG LYS A 43 -1.180 -7.291 -3.685 1.00 0.57 C ATOM 636 CD LYS A 43 -2.256 -6.749 -4.647 1.00 0.69 C ATOM 637 CE LYS A 43 -2.780 -7.814 -5.613 1.00 0.67 C ATOM 638 NZ LYS A 43 -1.806 -8.207 -6.648 1.00 1.03 N ATOM 0 H LYS A 43 -4.162 -7.959 -0.951 1.00 0.48 H new ATOM 0 HA LYS A 43 -1.321 -7.215 -0.607 1.00 0.45 H new ATOM 0 HB2 LYS A 43 -1.040 -8.855 -2.225 1.00 0.52 H new ATOM 0 HB3 LYS A 43 -2.647 -8.638 -2.890 1.00 0.52 H new ATOM 0 HG2 LYS A 43 -0.604 -6.457 -3.285 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -0.485 -7.919 -4.242 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -3.088 -6.351 -4.066 1.00 0.69 H new ATOM 0 HD3 LYS A 43 -1.841 -5.919 -5.219 1.00 0.69 H new ATOM 0 HE2 LYS A 43 -3.068 -8.698 -5.044 1.00 0.67 H new ATOM 0 HE3 LYS A 43 -3.681 -7.440 -6.098 1.00 0.67 H new ATOM 0 HZ1 LYS A 43 -2.108 -9.100 -7.088 1.00 1.03 H new ATOM 0 HZ2 LYS A 43 -1.752 -7.464 -7.374 1.00 1.03 H new ATOM 0 HZ3 LYS A 43 -0.870 -8.335 -6.213 1.00 1.03 H new ATOM 652 N ALA A 44 -1.698 -4.976 -1.517 1.00 0.36 N ATOM 653 CA ALA A 44 -1.832 -3.610 -1.978 1.00 0.33 C ATOM 654 C ALA A 44 -1.174 -3.491 -3.352 1.00 0.36 C ATOM 655 O ALA A 44 0.053 -3.535 -3.470 1.00 0.43 O ATOM 656 CB ALA A 44 -1.205 -2.657 -0.958 1.00 0.40 C ATOM 0 H ALA A 44 -0.766 -5.174 -1.154 1.00 0.36 H new ATOM 0 HA ALA A 44 -2.883 -3.337 -2.075 1.00 0.33 H new ATOM 0 HB1 ALA A 44 -1.308 -1.630 -1.308 1.00 0.40 H new ATOM 0 HB2 ALA A 44 -1.712 -2.766 0.001 1.00 0.40 H new ATOM 0 HB3 ALA A 44 -0.148 -2.896 -0.839 1.00 0.40 H new ATOM 662 N HIS A 45 -2.007 -3.337 -4.384 1.00 0.38 N ATOM 663 CA HIS A 45 -1.596 -2.842 -5.689 1.00 0.40 C ATOM 664 C HIS A 45 -1.499 -1.338 -5.520 1.00 0.40 C ATOM 665 O HIS A 45 -2.462 -0.603 -5.745 1.00 0.51 O ATOM 666 CB HIS A 45 -2.637 -3.260 -6.734 1.00 0.44 C ATOM 667 CG HIS A 45 -2.269 -3.033 -8.177 1.00 0.53 C ATOM 668 ND1 HIS A 45 -2.237 -3.982 -9.167 1.00 0.79 N ATOM 669 CD2 HIS A 45 -1.782 -1.880 -8.709 1.00 0.59 C ATOM 670 CE1 HIS A 45 -1.770 -3.395 -10.282 1.00 0.84 C ATOM 671 NE2 HIS A 45 -1.498 -2.099 -10.060 1.00 0.72 N ATOM 0 H HIS A 45 -3.001 -3.558 -4.330 1.00 0.38 H new ATOM 0 HA HIS A 45 -0.644 -3.244 -6.036 1.00 0.40 H new ATOM 0 HB2 HIS A 45 -2.849 -4.321 -6.599 1.00 0.44 H new ATOM 0 HB3 HIS A 45 -3.562 -2.721 -6.529 1.00 0.44 H new ATOM 0 HD1 HIS A 45 -2.517 -4.958 -9.074 1.00 0.79 H new ATOM 0 HD2 HIS A 45 -1.639 -0.951 -8.177 1.00 0.59 H new ATOM 0 HE1 HIS A 45 -1.632 -3.897 -11.228 1.00 0.84 H new ATOM 679 N ILE A 46 -0.325 -0.895 -5.084 1.00 0.52 N ATOM 680 CA ILE A 46 -0.003 0.510 -5.083 1.00 0.52 C ATOM 681 C ILE A 46 0.397 0.872 -6.502 1.00 0.53 C ATOM 682 O ILE A 46 0.947 0.053 -7.240 1.00 0.96 O ATOM 683 CB ILE A 46 1.108 0.791 -4.067 1.00 0.67 C ATOM 684 CG1 ILE A 46 0.528 0.677 -2.653 1.00 0.88 C ATOM 685 CG2 ILE A 46 1.762 2.165 -4.273 1.00 0.96 C ATOM 686 CD1 ILE A 46 1.634 0.230 -1.711 1.00 1.51 C ATOM 0 H ILE A 46 0.416 -1.499 -4.727 1.00 0.52 H new ATOM 0 HA ILE A 46 -0.852 1.123 -4.781 1.00 0.52 H new ATOM 0 HB ILE A 46 1.895 0.051 -4.212 1.00 0.67 H new ATOM 0 HG12 ILE A 46 0.122 1.636 -2.332 1.00 0.88 H new ATOM 0 HG13 ILE A 46 -0.294 -0.038 -2.638 1.00 0.88 H new ATOM 0 HG21 ILE A 46 2.542 2.312 -3.526 1.00 0.96 H new ATOM 0 HG22 ILE A 46 2.200 2.214 -5.270 1.00 0.96 H new ATOM 0 HG23 ILE A 46 1.009 2.946 -4.169 1.00 0.96 H new ATOM 0 HD11 ILE A 46 1.238 0.144 -0.699 1.00 1.51 H new ATOM 0 HD12 ILE A 46 2.018 -0.738 -2.034 1.00 1.51 H new ATOM 0 HD13 ILE A 46 2.441 0.963 -1.723 1.00 1.51 H new ATOM 698 N LYS A 47 0.144 2.121 -6.872 1.00 0.60 N ATOM 699 CA LYS A 47 0.876 2.746 -7.946 1.00 0.71 C ATOM 700 C LYS A 47 1.409 4.044 -7.351 1.00 0.75 C ATOM 701 O LYS A 47 0.614 4.818 -6.818 1.00 0.79 O ATOM 702 CB LYS A 47 -0.033 3.006 -9.143 1.00 0.79 C ATOM 703 CG LYS A 47 -0.663 1.733 -9.714 1.00 0.74 C ATOM 704 CD LYS A 47 -1.629 2.099 -10.855 1.00 1.13 C ATOM 705 CE LYS A 47 -1.892 0.896 -11.767 1.00 1.65 C ATOM 706 NZ LYS A 47 -0.708 0.565 -12.582 1.00 2.59 N ATOM 0 H LYS A 47 -0.564 2.714 -6.439 1.00 0.60 H new ATOM 0 HA LYS A 47 1.683 2.116 -8.321 1.00 0.71 H new ATOM 0 HB2 LYS A 47 -0.825 3.693 -8.846 1.00 0.79 H new ATOM 0 HB3 LYS A 47 0.542 3.501 -9.926 1.00 0.79 H new ATOM 0 HG2 LYS A 47 0.115 1.065 -10.083 1.00 0.74 H new ATOM 0 HG3 LYS A 47 -1.198 1.197 -8.930 1.00 0.74 H new ATOM 0 HD2 LYS A 47 -2.571 2.455 -10.437 1.00 1.13 H new ATOM 0 HD3 LYS A 47 -1.211 2.918 -11.440 1.00 1.13 H new ATOM 0 HE2 LYS A 47 -2.171 0.033 -11.162 1.00 1.65 H new ATOM 0 HE3 LYS A 47 -2.736 1.112 -12.421 1.00 1.65 H new ATOM 0 HZ1 LYS A 47 -0.995 -0.031 -13.385 1.00 2.59 H new ATOM 0 HZ2 LYS A 47 -0.276 1.441 -12.938 1.00 2.59 H new ATOM 0 HZ3 LYS A 47 -0.018 0.051 -11.998 1.00 2.59 H new ATOM 720 N TYR A 48 2.724 4.259 -7.366 1.00 0.87 N ATOM 721 CA TYR A 48 3.362 5.446 -6.812 1.00 0.83 C ATOM 722 C TYR A 48 4.566 5.767 -7.691 1.00 0.95 C ATOM 723 O TYR A 48 5.379 4.883 -7.948 1.00 1.66 O ATOM 724 CB TYR A 48 3.769 5.221 -5.340 1.00 0.86 C ATOM 725 CG TYR A 48 5.082 4.481 -5.121 1.00 1.01 C ATOM 726 CD1 TYR A 48 5.239 3.156 -5.569 1.00 1.99 C ATOM 727 CD2 TYR A 48 6.221 5.209 -4.726 1.00 2.44 C ATOM 728 CE1 TYR A 48 6.525 2.601 -5.689 1.00 2.00 C ATOM 729 CE2 TYR A 48 7.497 4.629 -4.792 1.00 2.53 C ATOM 730 CZ TYR A 48 7.652 3.339 -5.318 1.00 1.24 C ATOM 731 OH TYR A 48 8.894 2.810 -5.504 1.00 1.39 O ATOM 0 H TYR A 48 3.386 3.598 -7.772 1.00 0.87 H new ATOM 0 HA TYR A 48 2.671 6.289 -6.808 1.00 0.83 H new ATOM 0 HB2 TYR A 48 3.834 6.192 -4.848 1.00 0.86 H new ATOM 0 HB3 TYR A 48 2.973 4.665 -4.844 1.00 0.86 H new ATOM 0 HD1 TYR A 48 4.371 2.565 -5.821 1.00 1.99 H new ATOM 0 HD2 TYR A 48 6.111 6.222 -4.369 1.00 2.44 H new ATOM 0 HE1 TYR A 48 6.643 1.597 -6.070 1.00 2.00 H new ATOM 0 HE2 TYR A 48 8.358 5.176 -4.438 1.00 2.53 H new ATOM 0 HH TYR A 48 9.225 3.056 -6.393 1.00 1.39 H new ATOM 741 N ASP A 49 4.698 7.007 -8.158 1.00 0.62 N ATOM 742 CA ASP A 49 5.863 7.349 -8.971 1.00 0.81 C ATOM 743 C ASP A 49 6.998 7.693 -8.002 1.00 0.63 C ATOM 744 O ASP A 49 6.806 8.531 -7.119 1.00 0.70 O ATOM 745 CB ASP A 49 5.539 8.440 -10.006 1.00 1.28 C ATOM 746 CG ASP A 49 4.971 7.845 -11.297 1.00 2.49 C ATOM 747 OD1 ASP A 49 4.313 6.784 -11.211 1.00 3.59 O ATOM 748 OD2 ASP A 49 5.227 8.436 -12.372 1.00 3.40 O ATOM 0 H ASP A 49 4.038 7.768 -7.996 1.00 0.62 H new ATOM 0 HA ASP A 49 6.183 6.510 -9.590 1.00 0.81 H new ATOM 0 HB2 ASP A 49 4.821 9.142 -9.582 1.00 1.28 H new ATOM 0 HB3 ASP A 49 6.442 9.006 -10.233 1.00 1.28 H new ATOM 753 N PRO A 50 8.142 6.990 -8.059 1.00 0.64 N ATOM 754 CA PRO A 50 9.131 7.028 -6.998 1.00 0.70 C ATOM 755 C PRO A 50 9.677 8.428 -6.750 1.00 0.92 C ATOM 756 O PRO A 50 9.753 8.850 -5.594 1.00 2.08 O ATOM 757 CB PRO A 50 10.223 6.022 -7.383 1.00 0.86 C ATOM 758 CG PRO A 50 10.029 5.808 -8.884 1.00 0.92 C ATOM 759 CD PRO A 50 8.527 6.023 -9.075 1.00 0.83 C ATOM 0 HA PRO A 50 8.679 6.752 -6.045 1.00 0.70 H new ATOM 0 HB2 PRO A 50 11.217 6.410 -7.162 1.00 0.86 H new ATOM 0 HB3 PRO A 50 10.116 5.088 -6.831 1.00 0.86 H new ATOM 0 HG2 PRO A 50 10.615 6.515 -9.471 1.00 0.92 H new ATOM 0 HG3 PRO A 50 10.335 4.808 -9.191 1.00 0.92 H new ATOM 0 HD2 PRO A 50 8.308 6.396 -10.075 1.00 0.83 H new ATOM 0 HD3 PRO A 50 7.978 5.089 -8.956 1.00 0.83 H new ATOM 767 N GLU A 51 10.040 9.136 -7.823 1.00 0.84 N ATOM 768 CA GLU A 51 10.826 10.360 -7.813 1.00 1.02 C ATOM 769 C GLU A 51 10.244 11.507 -6.968 1.00 1.09 C ATOM 770 O GLU A 51 10.932 12.508 -6.769 1.00 1.55 O ATOM 771 CB GLU A 51 11.117 10.785 -9.268 1.00 1.32 C ATOM 772 CG GLU A 51 9.872 10.967 -10.161 1.00 1.36 C ATOM 773 CD GLU A 51 9.512 9.739 -10.997 1.00 2.47 C ATOM 774 OE1 GLU A 51 9.522 8.638 -10.405 1.00 3.61 O ATOM 775 OE2 GLU A 51 9.232 9.912 -12.204 1.00 3.35 O ATOM 0 H GLU A 51 9.777 8.852 -8.767 1.00 0.84 H new ATOM 0 HA GLU A 51 11.760 10.131 -7.300 1.00 1.02 H new ATOM 0 HB2 GLU A 51 11.673 11.723 -9.251 1.00 1.32 H new ATOM 0 HB3 GLU A 51 11.766 10.038 -9.725 1.00 1.32 H new ATOM 0 HG2 GLU A 51 9.021 11.224 -9.530 1.00 1.36 H new ATOM 0 HG3 GLU A 51 10.040 11.811 -10.830 1.00 1.36 H new ATOM 782 N ILE A 52 9.011 11.377 -6.467 1.00 0.97 N ATOM 783 CA ILE A 52 8.342 12.385 -5.648 1.00 1.14 C ATOM 784 C ILE A 52 8.062 11.924 -4.211 1.00 1.11 C ATOM 785 O ILE A 52 7.659 12.753 -3.397 1.00 1.37 O ATOM 786 CB ILE A 52 7.051 12.848 -6.347 1.00 1.26 C ATOM 787 CG1 ILE A 52 6.132 11.664 -6.691 1.00 1.82 C ATOM 788 CG2 ILE A 52 7.400 13.668 -7.597 1.00 1.86 C ATOM 789 CD1 ILE A 52 4.764 12.132 -7.190 1.00 2.32 C ATOM 0 H ILE A 52 8.440 10.547 -6.625 1.00 0.97 H new ATOM 0 HA ILE A 52 9.029 13.226 -5.552 1.00 1.14 H new ATOM 0 HB ILE A 52 6.497 13.483 -5.656 1.00 1.26 H new ATOM 0 HG12 ILE A 52 6.605 11.046 -7.454 1.00 1.82 H new ATOM 0 HG13 ILE A 52 6.002 11.037 -5.809 1.00 1.82 H new ATOM 0 HG21 ILE A 52 6.482 13.993 -8.087 1.00 1.86 H new ATOM 0 HG22 ILE A 52 7.985 14.541 -7.308 1.00 1.86 H new ATOM 0 HG23 ILE A 52 7.981 13.053 -8.285 1.00 1.86 H new ATOM 0 HD11 ILE A 52 4.145 11.265 -7.422 1.00 2.32 H new ATOM 0 HD12 ILE A 52 4.279 12.728 -6.417 1.00 2.32 H new ATOM 0 HD13 ILE A 52 4.892 12.737 -8.087 1.00 2.32 H new ATOM 801 N ILE A 53 8.239 10.637 -3.879 1.00 1.05 N ATOM 802 CA ILE A 53 7.864 10.134 -2.550 1.00 0.98 C ATOM 803 C ILE A 53 8.749 8.982 -2.073 1.00 1.25 C ATOM 804 O ILE A 53 9.159 8.956 -0.915 1.00 2.92 O ATOM 805 CB ILE A 53 6.353 9.817 -2.497 1.00 0.93 C ATOM 806 CG1 ILE A 53 5.865 9.681 -1.049 1.00 0.99 C ATOM 807 CG2 ILE A 53 5.978 8.551 -3.274 1.00 1.07 C ATOM 808 CD1 ILE A 53 4.355 9.870 -0.921 1.00 1.42 C ATOM 0 H ILE A 53 8.634 9.934 -4.503 1.00 1.05 H new ATOM 0 HA ILE A 53 8.050 10.930 -1.829 1.00 0.98 H new ATOM 0 HB ILE A 53 5.859 10.662 -2.976 1.00 0.93 H new ATOM 0 HG12 ILE A 53 6.138 8.697 -0.668 1.00 0.99 H new ATOM 0 HG13 ILE A 53 6.374 10.417 -0.427 1.00 0.99 H new ATOM 0 HG21 ILE A 53 4.904 8.383 -3.198 1.00 1.07 H new ATOM 0 HG22 ILE A 53 6.254 8.672 -4.322 1.00 1.07 H new ATOM 0 HG23 ILE A 53 6.510 7.696 -2.855 1.00 1.07 H new ATOM 0 HD11 ILE A 53 4.062 9.764 0.124 1.00 1.42 H new ATOM 0 HD12 ILE A 53 4.081 10.864 -1.275 1.00 1.42 H new ATOM 0 HD13 ILE A 53 3.842 9.117 -1.520 1.00 1.42 H new ATOM 820 N GLY A 54 9.064 8.034 -2.958 1.00 0.86 N ATOM 821 CA GLY A 54 9.804 6.843 -2.582 1.00 0.66 C ATOM 822 C GLY A 54 8.891 5.847 -1.857 1.00 0.65 C ATOM 823 O GLY A 54 7.892 6.229 -1.250 1.00 0.83 O ATOM 0 H GLY A 54 8.813 8.076 -3.946 1.00 0.86 H new ATOM 0 HA2 GLY A 54 10.228 6.376 -3.471 1.00 0.66 H new ATOM 0 HA3 GLY A 54 10.639 7.116 -1.937 1.00 0.66 H new ATOM 827 N PRO A 55 9.207 4.546 -1.919 1.00 0.65 N ATOM 828 CA PRO A 55 8.352 3.514 -1.363 1.00 0.80 C ATOM 829 C PRO A 55 8.332 3.595 0.165 1.00 0.94 C ATOM 830 O PRO A 55 7.307 3.328 0.787 1.00 0.93 O ATOM 831 CB PRO A 55 8.934 2.191 -1.871 1.00 0.92 C ATOM 832 CG PRO A 55 10.411 2.505 -2.122 1.00 0.89 C ATOM 833 CD PRO A 55 10.409 3.983 -2.512 1.00 0.70 C ATOM 0 HA PRO A 55 7.312 3.622 -1.672 1.00 0.80 H new ATOM 0 HB2 PRO A 55 8.815 1.395 -1.136 1.00 0.92 H new ATOM 0 HB3 PRO A 55 8.436 1.860 -2.783 1.00 0.92 H new ATOM 0 HG2 PRO A 55 11.015 2.327 -1.232 1.00 0.89 H new ATOM 0 HG3 PRO A 55 10.823 1.882 -2.916 1.00 0.89 H new ATOM 0 HD2 PRO A 55 11.301 4.487 -2.141 1.00 0.70 H new ATOM 0 HD3 PRO A 55 10.403 4.102 -3.595 1.00 0.70 H new ATOM 841 N ARG A 56 9.471 3.953 0.769 1.00 1.09 N ATOM 842 CA ARG A 56 9.652 3.932 2.213 1.00 1.18 C ATOM 843 C ARG A 56 8.556 4.713 2.948 1.00 1.10 C ATOM 844 O ARG A 56 8.132 4.293 4.019 1.00 1.10 O ATOM 845 CB ARG A 56 11.051 4.446 2.586 1.00 1.47 C ATOM 846 CG ARG A 56 11.439 3.947 3.986 1.00 2.46 C ATOM 847 CD ARG A 56 12.643 4.699 4.562 1.00 3.55 C ATOM 848 NE ARG A 56 13.867 4.466 3.779 1.00 4.13 N ATOM 849 CZ ARG A 56 15.059 5.014 4.064 1.00 5.60 C ATOM 850 NH1 ARG A 56 15.185 5.810 5.132 1.00 6.46 N ATOM 851 NH2 ARG A 56 16.117 4.764 3.283 1.00 6.77 N ATOM 0 H ARG A 56 10.296 4.267 0.259 1.00 1.09 H new ATOM 0 HA ARG A 56 9.566 2.896 2.539 1.00 1.18 H new ATOM 0 HB2 ARG A 56 11.781 4.102 1.853 1.00 1.47 H new ATOM 0 HB3 ARG A 56 11.065 5.536 2.563 1.00 1.47 H new ATOM 0 HG2 ARG A 56 10.588 4.060 4.658 1.00 2.46 H new ATOM 0 HG3 ARG A 56 11.668 2.882 3.939 1.00 2.46 H new ATOM 0 HD2 ARG A 56 12.426 5.767 4.585 1.00 3.55 H new ATOM 0 HD3 ARG A 56 12.807 4.385 5.593 1.00 3.55 H new ATOM 0 HE ARG A 56 13.806 3.849 2.969 1.00 4.13 H new ATOM 0 HH11 ARG A 56 14.377 5.998 5.726 1.00 6.46 H new ATOM 0 HH12 ARG A 56 16.089 6.228 5.352 1.00 6.46 H new ATOM 0 HH21 ARG A 56 16.018 4.156 2.470 1.00 6.77 H new ATOM 0 HH22 ARG A 56 17.022 5.181 3.501 1.00 6.77 H new ATOM 865 N ASP A 57 8.099 5.837 2.390 1.00 1.08 N ATOM 866 CA ASP A 57 6.991 6.602 2.952 1.00 1.04 C ATOM 867 C ASP A 57 5.750 5.714 3.075 1.00 0.82 C ATOM 868 O ASP A 57 5.249 5.494 4.178 1.00 0.73 O ATOM 869 CB ASP A 57 6.720 7.822 2.073 1.00 1.11 C ATOM 870 CG ASP A 57 5.406 8.497 2.448 1.00 3.08 C ATOM 871 OD1 ASP A 57 4.380 8.061 1.890 1.00 4.36 O ATOM 872 OD2 ASP A 57 5.447 9.428 3.280 1.00 4.14 O ATOM 0 H ASP A 57 8.488 6.239 1.537 1.00 1.08 H new ATOM 0 HA ASP A 57 7.251 6.950 3.952 1.00 1.04 H new ATOM 0 HB2 ASP A 57 7.539 8.534 2.174 1.00 1.11 H new ATOM 0 HB3 ASP A 57 6.689 7.519 1.026 1.00 1.11 H new ATOM 877 N ILE A 58 5.301 5.151 1.947 1.00 0.75 N ATOM 878 CA ILE A 58 4.167 4.235 1.940 1.00 0.58 C ATOM 879 C ILE A 58 4.394 3.140 2.989 1.00 0.61 C ATOM 880 O ILE A 58 3.514 2.868 3.809 1.00 0.55 O ATOM 881 CB ILE A 58 3.900 3.633 0.540 1.00 0.51 C ATOM 882 CG1 ILE A 58 3.368 4.647 -0.492 1.00 0.55 C ATOM 883 CG2 ILE A 58 2.879 2.497 0.691 1.00 0.59 C ATOM 884 CD1 ILE A 58 4.379 5.687 -0.979 1.00 1.39 C ATOM 0 H ILE A 58 5.711 5.318 1.028 1.00 0.75 H new ATOM 0 HA ILE A 58 3.271 4.800 2.197 1.00 0.58 H new ATOM 0 HB ILE A 58 4.859 3.282 0.158 1.00 0.51 H new ATOM 0 HG12 ILE A 58 2.995 4.097 -1.356 1.00 0.55 H new ATOM 0 HG13 ILE A 58 2.517 5.170 -0.055 1.00 0.55 H new ATOM 0 HG21 ILE A 58 2.676 2.058 -0.286 1.00 0.59 H new ATOM 0 HG22 ILE A 58 3.281 1.733 1.356 1.00 0.59 H new ATOM 0 HG23 ILE A 58 1.954 2.893 1.110 1.00 0.59 H new ATOM 0 HD11 ILE A 58 3.901 6.349 -1.701 1.00 1.39 H new ATOM 0 HD12 ILE A 58 4.736 6.272 -0.131 1.00 1.39 H new ATOM 0 HD13 ILE A 58 5.221 5.182 -1.452 1.00 1.39 H new ATOM 896 N ILE A 59 5.578 2.518 2.964 1.00 0.76 N ATOM 897 CA ILE A 59 5.910 1.468 3.929 1.00 0.91 C ATOM 898 C ILE A 59 5.683 1.957 5.365 1.00 0.95 C ATOM 899 O ILE A 59 4.945 1.306 6.108 1.00 0.89 O ATOM 900 CB ILE A 59 7.337 0.920 3.720 1.00 1.15 C ATOM 901 CG1 ILE A 59 7.555 0.305 2.324 1.00 1.25 C ATOM 902 CG2 ILE A 59 7.698 -0.108 4.804 1.00 1.32 C ATOM 903 CD1 ILE A 59 6.700 -0.928 2.023 1.00 1.75 C ATOM 0 H ILE A 59 6.316 2.723 2.291 1.00 0.76 H new ATOM 0 HA ILE A 59 5.234 0.631 3.755 1.00 0.91 H new ATOM 0 HB ILE A 59 8.000 1.782 3.799 1.00 1.15 H new ATOM 0 HG12 ILE A 59 7.348 1.066 1.571 1.00 1.25 H new ATOM 0 HG13 ILE A 59 8.606 0.034 2.222 1.00 1.25 H new ATOM 0 HG21 ILE A 59 8.709 -0.478 4.632 1.00 1.32 H new ATOM 0 HG22 ILE A 59 7.646 0.364 5.785 1.00 1.32 H new ATOM 0 HG23 ILE A 59 6.995 -0.940 4.764 1.00 1.32 H new ATOM 0 HD11 ILE A 59 6.923 -1.289 1.019 1.00 1.75 H new ATOM 0 HD12 ILE A 59 6.922 -1.711 2.748 1.00 1.75 H new ATOM 0 HD13 ILE A 59 5.645 -0.663 2.087 1.00 1.75 H new ATOM 915 N HIS A 60 6.290 3.092 5.742 1.00 1.08 N ATOM 916 CA HIS A 60 6.141 3.683 7.068 1.00 1.17 C ATOM 917 C HIS A 60 4.670 3.757 7.437 1.00 0.96 C ATOM 918 O HIS A 60 4.272 3.301 8.503 1.00 0.89 O ATOM 919 CB HIS A 60 6.726 5.099 7.153 1.00 1.43 C ATOM 920 CG HIS A 60 8.210 5.221 6.949 1.00 1.66 C ATOM 921 ND1 HIS A 60 8.832 6.276 6.325 1.00 2.40 N ATOM 922 CD2 HIS A 60 9.178 4.456 7.542 1.00 1.79 C ATOM 923 CE1 HIS A 60 10.152 6.140 6.524 1.00 3.03 C ATOM 924 NE2 HIS A 60 10.419 5.042 7.252 1.00 2.65 N ATOM 0 H HIS A 60 6.902 3.626 5.125 1.00 1.08 H new ATOM 0 HA HIS A 60 6.690 3.042 7.758 1.00 1.17 H new ATOM 0 HB2 HIS A 60 6.227 5.720 6.410 1.00 1.43 H new ATOM 0 HB3 HIS A 60 6.480 5.512 8.131 1.00 1.43 H new ATOM 0 HD2 HIS A 60 9.016 3.563 8.127 1.00 1.79 H new ATOM 0 HE1 HIS A 60 10.901 6.822 6.149 1.00 3.03 H new ATOM 0 HE2 HIS A 60 11.338 4.703 7.536 1.00 2.65 H new ATOM 932 N THR A 61 3.848 4.335 6.563 1.00 0.91 N ATOM 933 CA THR A 61 2.429 4.453 6.829 1.00 0.80 C ATOM 934 C THR A 61 1.819 3.074 7.110 1.00 0.60 C ATOM 935 O THR A 61 1.157 2.888 8.127 1.00 0.58 O ATOM 936 CB THR A 61 1.757 5.183 5.663 1.00 0.84 C ATOM 937 OG1 THR A 61 2.578 6.265 5.280 1.00 0.94 O ATOM 938 CG2 THR A 61 0.388 5.736 6.064 1.00 0.90 C ATOM 0 H THR A 61 4.146 4.726 5.669 1.00 0.91 H new ATOM 0 HA THR A 61 2.260 5.047 7.727 1.00 0.80 H new ATOM 0 HB THR A 61 1.620 4.475 4.845 1.00 0.84 H new ATOM 0 HG1 THR A 61 2.321 6.570 4.385 1.00 0.94 H new ATOM 0 HG21 THR A 61 -0.061 6.248 5.213 1.00 0.90 H new ATOM 0 HG22 THR A 61 -0.258 4.916 6.376 1.00 0.90 H new ATOM 0 HG23 THR A 61 0.507 6.439 6.889 1.00 0.90 H new ATOM 946 N ILE A 62 2.049 2.093 6.231 1.00 0.53 N ATOM 947 CA ILE A 62 1.452 0.765 6.365 1.00 0.49 C ATOM 948 C ILE A 62 1.775 0.125 7.730 1.00 0.56 C ATOM 949 O ILE A 62 0.862 -0.365 8.406 1.00 0.47 O ATOM 950 CB ILE A 62 1.823 -0.106 5.146 1.00 0.54 C ATOM 951 CG1 ILE A 62 1.158 0.483 3.888 1.00 0.53 C ATOM 952 CG2 ILE A 62 1.354 -1.555 5.328 1.00 0.63 C ATOM 953 CD1 ILE A 62 1.542 -0.252 2.602 1.00 0.79 C ATOM 0 H ILE A 62 2.650 2.198 5.413 1.00 0.53 H new ATOM 0 HA ILE A 62 0.366 0.855 6.360 1.00 0.49 H new ATOM 0 HB ILE A 62 2.908 -0.108 5.044 1.00 0.54 H new ATOM 0 HG12 ILE A 62 0.075 0.450 4.008 1.00 0.53 H new ATOM 0 HG13 ILE A 62 1.436 1.533 3.796 1.00 0.53 H new ATOM 0 HG21 ILE A 62 1.632 -2.140 4.451 1.00 0.63 H new ATOM 0 HG22 ILE A 62 1.826 -1.982 6.213 1.00 0.63 H new ATOM 0 HG23 ILE A 62 0.271 -1.574 5.449 1.00 0.63 H new ATOM 0 HD11 ILE A 62 1.040 0.213 1.754 1.00 0.79 H new ATOM 0 HD12 ILE A 62 2.621 -0.197 2.460 1.00 0.79 H new ATOM 0 HD13 ILE A 62 1.239 -1.296 2.675 1.00 0.79 H new ATOM 965 N GLU A 63 3.043 0.147 8.158 1.00 0.84 N ATOM 966 CA GLU A 63 3.391 -0.368 9.483 1.00 1.06 C ATOM 967 C GLU A 63 2.828 0.519 10.594 1.00 1.05 C ATOM 968 O GLU A 63 2.204 0.021 11.531 1.00 1.12 O ATOM 969 CB GLU A 63 4.884 -0.721 9.597 1.00 1.20 C ATOM 970 CG GLU A 63 5.898 0.395 9.298 1.00 2.37 C ATOM 971 CD GLU A 63 6.161 1.354 10.456 1.00 3.92 C ATOM 972 OE1 GLU A 63 5.633 1.096 11.560 1.00 4.78 O ATOM 973 OE2 GLU A 63 6.905 2.329 10.218 1.00 4.90 O ATOM 0 H GLU A 63 3.829 0.508 7.617 1.00 0.84 H new ATOM 0 HA GLU A 63 2.893 -1.327 9.626 1.00 1.06 H new ATOM 0 HB2 GLU A 63 5.069 -1.082 10.609 1.00 1.20 H new ATOM 0 HB3 GLU A 63 5.087 -1.551 8.920 1.00 1.20 H new ATOM 0 HG2 GLU A 63 6.842 -0.062 9.003 1.00 2.37 H new ATOM 0 HG3 GLU A 63 5.541 0.970 8.443 1.00 2.37 H new ATOM 980 N SER A 64 2.956 1.836 10.441 1.00 1.03 N ATOM 981 CA SER A 64 2.509 2.804 11.425 1.00 1.09 C ATOM 982 C SER A 64 0.984 2.827 11.573 1.00 1.04 C ATOM 983 O SER A 64 0.503 3.380 12.562 1.00 1.43 O ATOM 984 CB SER A 64 3.087 4.189 11.114 1.00 1.10 C ATOM 985 OG SER A 64 2.717 5.120 12.117 1.00 1.20 O ATOM 0 H SER A 64 3.380 2.260 9.616 1.00 1.03 H new ATOM 0 HA SER A 64 2.893 2.493 12.396 1.00 1.09 H new ATOM 0 HB2 SER A 64 4.173 4.129 11.048 1.00 1.10 H new ATOM 0 HB3 SER A 64 2.727 4.530 10.143 1.00 1.10 H new ATOM 0 HG SER A 64 1.976 4.755 12.644 1.00 1.20 H new ATOM 991 N LEU A 65 0.217 2.253 10.635 1.00 0.71 N ATOM 992 CA LEU A 65 -1.126 1.788 10.951 1.00 0.60 C ATOM 993 C LEU A 65 -0.990 0.560 11.855 1.00 0.63 C ATOM 994 O LEU A 65 -1.034 0.696 13.075 1.00 1.10 O ATOM 995 CB LEU A 65 -1.968 1.484 9.696 1.00 0.75 C ATOM 996 CG LEU A 65 -2.688 2.677 9.041 1.00 1.22 C ATOM 997 CD1 LEU A 65 -3.468 3.530 10.046 1.00 2.99 C ATOM 998 CD2 LEU A 65 -1.747 3.569 8.238 1.00 1.49 C ATOM 0 H LEU A 65 0.505 2.104 9.668 1.00 0.71 H new ATOM 0 HA LEU A 65 -1.669 2.581 11.465 1.00 0.60 H new ATOM 0 HB2 LEU A 65 -1.316 1.029 8.951 1.00 0.75 H new ATOM 0 HB3 LEU A 65 -2.717 0.738 9.961 1.00 0.75 H new ATOM 0 HG LEU A 65 -3.401 2.222 8.353 1.00 1.22 H new ATOM 0 HD11 LEU A 65 -3.953 4.355 9.524 1.00 2.99 H new ATOM 0 HD12 LEU A 65 -4.224 2.916 10.535 1.00 2.99 H new ATOM 0 HD13 LEU A 65 -2.783 3.928 10.795 1.00 2.99 H new ATOM 0 HD21 LEU A 65 -2.311 4.392 7.800 1.00 1.49 H new ATOM 0 HD22 LEU A 65 -0.974 3.968 8.895 1.00 1.49 H new ATOM 0 HD23 LEU A 65 -1.282 2.985 7.444 1.00 1.49 H new ATOM 1010 N GLY A 66 -0.902 -0.644 11.281 1.00 0.61 N ATOM 1011 CA GLY A 66 -0.590 -1.821 12.080 1.00 0.82 C ATOM 1012 C GLY A 66 -0.066 -3.014 11.285 1.00 0.69 C ATOM 1013 O GLY A 66 -0.219 -4.137 11.764 1.00 1.01 O ATOM 0 H GLY A 66 -1.040 -0.823 10.286 1.00 0.61 H new ATOM 0 HA2 GLY A 66 0.153 -1.547 12.830 1.00 0.82 H new ATOM 0 HA3 GLY A 66 -1.488 -2.126 12.617 1.00 0.82 H new ATOM 1017 N PHE A 67 0.455 -2.828 10.065 1.00 0.58 N ATOM 1018 CA PHE A 67 0.575 -3.940 9.122 1.00 0.56 C ATOM 1019 C PHE A 67 2.003 -4.154 8.626 1.00 0.80 C ATOM 1020 O PHE A 67 2.678 -3.203 8.246 1.00 1.42 O ATOM 1021 CB PHE A 67 -0.349 -3.672 7.934 1.00 0.59 C ATOM 1022 CG PHE A 67 -1.724 -3.144 8.297 1.00 0.58 C ATOM 1023 CD1 PHE A 67 -2.541 -3.880 9.172 1.00 1.76 C ATOM 1024 CD2 PHE A 67 -2.140 -1.874 7.854 1.00 1.91 C ATOM 1025 CE1 PHE A 67 -3.812 -3.398 9.519 1.00 1.81 C ATOM 1026 CE2 PHE A 67 -3.415 -1.398 8.191 1.00 1.86 C ATOM 1027 CZ PHE A 67 -4.260 -2.175 8.996 1.00 0.56 C ATOM 0 H PHE A 67 0.794 -1.932 9.715 1.00 0.58 H new ATOM 0 HA PHE A 67 0.290 -4.852 9.646 1.00 0.56 H new ATOM 0 HB2 PHE A 67 0.135 -2.955 7.271 1.00 0.59 H new ATOM 0 HB3 PHE A 67 -0.469 -4.597 7.370 1.00 0.59 H new ATOM 0 HD1 PHE A 67 -2.190 -4.817 9.578 1.00 1.76 H new ATOM 0 HD2 PHE A 67 -1.477 -1.267 7.255 1.00 1.91 H new ATOM 0 HE1 PHE A 67 -4.443 -3.966 10.186 1.00 1.81 H new ATOM 0 HE2 PHE A 67 -3.746 -0.435 7.831 1.00 1.86 H new ATOM 0 HZ PHE A 67 -5.260 -1.831 9.215 1.00 0.56 H new ATOM 1037 N GLU A 68 2.432 -5.410 8.514 1.00 0.55 N ATOM 1038 CA GLU A 68 3.701 -5.732 7.887 1.00 0.57 C ATOM 1039 C GLU A 68 3.493 -5.630 6.376 1.00 0.71 C ATOM 1040 O GLU A 68 2.442 -6.026 5.869 1.00 1.14 O ATOM 1041 CB GLU A 68 4.116 -7.157 8.277 1.00 0.73 C ATOM 1042 CG GLU A 68 4.440 -7.310 9.768 1.00 1.70 C ATOM 1043 CD GLU A 68 5.705 -6.568 10.185 1.00 3.10 C ATOM 1044 OE1 GLU A 68 6.486 -6.209 9.277 1.00 4.13 O ATOM 1045 OE2 GLU A 68 5.874 -6.397 11.411 1.00 4.28 O ATOM 0 H GLU A 68 1.913 -6.220 8.853 1.00 0.55 H new ATOM 0 HA GLU A 68 4.489 -5.051 8.209 1.00 0.57 H new ATOM 0 HB2 GLU A 68 3.313 -7.846 8.015 1.00 0.73 H new ATOM 0 HB3 GLU A 68 4.989 -7.447 7.691 1.00 0.73 H new ATOM 0 HG2 GLU A 68 3.599 -6.941 10.356 1.00 1.70 H new ATOM 0 HG3 GLU A 68 4.553 -8.369 10.002 1.00 1.70 H new ATOM 1052 N ALA A 69 4.476 -5.074 5.664 1.00 0.69 N ATOM 1053 CA ALA A 69 4.439 -4.874 4.220 1.00 0.82 C ATOM 1054 C ALA A 69 5.567 -5.673 3.569 1.00 0.70 C ATOM 1055 O ALA A 69 6.632 -5.824 4.163 1.00 0.97 O ATOM 1056 CB ALA A 69 4.615 -3.382 3.930 1.00 1.12 C ATOM 0 H ALA A 69 5.341 -4.743 6.091 1.00 0.69 H new ATOM 0 HA ALA A 69 3.487 -5.215 3.814 1.00 0.82 H new ATOM 0 HB1 ALA A 69 4.590 -3.215 2.853 1.00 1.12 H new ATOM 0 HB2 ALA A 69 3.808 -2.822 4.403 1.00 1.12 H new ATOM 0 HB3 ALA A 69 5.572 -3.045 4.327 1.00 1.12 H new ATOM 1062 N SER A 70 5.361 -6.192 2.355 1.00 0.59 N ATOM 1063 CA SER A 70 6.407 -6.900 1.627 1.00 0.60 C ATOM 1064 C SER A 70 6.175 -6.799 0.120 1.00 0.56 C ATOM 1065 O SER A 70 5.212 -7.359 -0.392 1.00 0.55 O ATOM 1066 CB SER A 70 6.436 -8.358 2.094 1.00 0.76 C ATOM 1067 OG SER A 70 7.106 -8.451 3.338 1.00 1.57 O ATOM 0 H SER A 70 4.473 -6.132 1.857 1.00 0.59 H new ATOM 0 HA SER A 70 7.375 -6.444 1.834 1.00 0.60 H new ATOM 0 HB2 SER A 70 5.419 -8.739 2.189 1.00 0.76 H new ATOM 0 HB3 SER A 70 6.940 -8.977 1.352 1.00 0.76 H new ATOM 0 HG SER A 70 7.122 -7.570 3.768 1.00 1.57 H new ATOM 1073 N LEU A 71 7.049 -6.085 -0.595 1.00 0.68 N ATOM 1074 CA LEU A 71 7.038 -6.010 -2.053 1.00 0.75 C ATOM 1075 C LEU A 71 7.075 -7.426 -2.634 1.00 0.83 C ATOM 1076 O LEU A 71 8.018 -8.164 -2.358 1.00 1.30 O ATOM 1077 CB LEU A 71 8.258 -5.216 -2.545 1.00 1.08 C ATOM 1078 CG LEU A 71 8.101 -3.688 -2.469 1.00 1.33 C ATOM 1079 CD1 LEU A 71 7.851 -3.158 -1.052 1.00 2.55 C ATOM 1080 CD2 LEU A 71 9.372 -3.032 -3.023 1.00 2.33 C ATOM 0 H LEU A 71 7.794 -5.535 -0.168 1.00 0.68 H new ATOM 0 HA LEU A 71 6.130 -5.505 -2.382 1.00 0.75 H new ATOM 0 HB2 LEU A 71 9.127 -5.508 -1.956 1.00 1.08 H new ATOM 0 HB3 LEU A 71 8.465 -5.496 -3.578 1.00 1.08 H new ATOM 0 HG LEU A 71 7.220 -3.435 -3.058 1.00 1.33 H new ATOM 0 HD11 LEU A 71 7.751 -2.073 -1.082 1.00 2.55 H new ATOM 0 HD12 LEU A 71 6.935 -3.596 -0.656 1.00 2.55 H new ATOM 0 HD13 LEU A 71 8.689 -3.428 -0.409 1.00 2.55 H new ATOM 0 HD21 LEU A 71 9.273 -1.948 -2.974 1.00 2.33 H new ATOM 0 HD22 LEU A 71 10.231 -3.345 -2.430 1.00 2.33 H new ATOM 0 HD23 LEU A 71 9.517 -3.337 -4.059 1.00 2.33 H new ATOM 1092 N VAL A 72 6.069 -7.794 -3.433 1.00 0.77 N ATOM 1093 CA VAL A 72 6.052 -9.051 -4.171 1.00 0.84 C ATOM 1094 C VAL A 72 6.362 -8.803 -5.648 1.00 1.03 C ATOM 1095 O VAL A 72 7.137 -9.554 -6.230 1.00 2.24 O ATOM 1096 CB VAL A 72 4.738 -9.824 -3.946 1.00 0.90 C ATOM 1097 CG1 VAL A 72 4.669 -10.287 -2.490 1.00 1.06 C ATOM 1098 CG2 VAL A 72 3.462 -9.037 -4.273 1.00 1.05 C ATOM 0 H VAL A 72 5.239 -7.220 -3.584 1.00 0.77 H new ATOM 0 HA VAL A 72 6.840 -9.697 -3.784 1.00 0.84 H new ATOM 0 HB VAL A 72 4.766 -10.661 -4.643 1.00 0.90 H new ATOM 0 HG11 VAL A 72 3.741 -10.834 -2.326 1.00 1.06 H new ATOM 0 HG12 VAL A 72 5.517 -10.937 -2.274 1.00 1.06 H new ATOM 0 HG13 VAL A 72 4.700 -9.420 -1.831 1.00 1.06 H new ATOM 0 HG21 VAL A 72 2.590 -9.663 -4.084 1.00 1.05 H new ATOM 0 HG22 VAL A 72 3.413 -8.147 -3.646 1.00 1.05 H new ATOM 0 HG23 VAL A 72 3.476 -8.741 -5.322 1.00 1.05 H new