USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 534 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 25 SER OG : rot -150:sc= 0.939 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -108:sc= 2.58 (180deg=-1.27) USER MOD Set 1.3: A 29 HIS : no HE2:sc= 0.167 K(o=3.7,f=-7.7!) USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= -0.29 USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 18 CYS SG : rot -160:sc= -0.53 USER MOD Single : A 13 MET CE :methyl -176:sc= -0.0663 (180deg=-0.149) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.00053) 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 27 THR OG1 : rot 81:sc= 1.17 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -170:sc=-0.00217 USER MOD Single : A 36 SER OG : rot 29:sc= 1.28 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 42 ASN : amide:sc= 0.55 K(o=0.55,f=-5.8!) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= 1.29 (180deg=0.712) USER MOD Single : A 45 HIS : no HE2:sc= 0.922 K(o=0.92,f=-5.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 0:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 61 THR OG1 : rot 70:sc= 0.85 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0969 USER MOD ----------------------------------------------------------------- ATOM 39 N GLY A 4 -4.072 -12.031 -1.831 1.00 0.93 N ATOM 40 CA GLY A 4 -3.134 -11.974 -0.735 1.00 1.10 C ATOM 41 C GLY A 4 -3.346 -10.628 -0.047 1.00 0.95 C ATOM 42 O GLY A 4 -3.255 -9.578 -0.690 1.00 1.46 O ATOM 0 HA2 GLY A 4 -3.302 -12.795 -0.039 1.00 1.10 H new ATOM 0 HA3 GLY A 4 -2.110 -12.067 -1.097 1.00 1.10 H new ATOM 46 N VAL A 5 -3.642 -10.662 1.255 1.00 0.92 N ATOM 47 CA VAL A 5 -3.799 -9.472 2.074 1.00 0.86 C ATOM 48 C VAL A 5 -2.430 -9.023 2.582 1.00 0.92 C ATOM 49 O VAL A 5 -1.837 -9.671 3.441 1.00 1.41 O ATOM 50 CB VAL A 5 -4.836 -9.704 3.193 1.00 1.13 C ATOM 51 CG1 VAL A 5 -4.556 -10.896 4.122 1.00 1.57 C ATOM 52 CG2 VAL A 5 -5.002 -8.430 4.032 1.00 2.33 C ATOM 0 H VAL A 5 -3.780 -11.531 1.770 1.00 0.92 H new ATOM 0 HA VAL A 5 -4.201 -8.654 1.476 1.00 0.86 H new ATOM 0 HB VAL A 5 -5.757 -9.957 2.667 1.00 1.13 H new ATOM 0 HG11 VAL A 5 -5.345 -10.967 4.870 1.00 1.57 H new ATOM 0 HG12 VAL A 5 -4.527 -11.815 3.536 1.00 1.57 H new ATOM 0 HG13 VAL A 5 -3.597 -10.752 4.619 1.00 1.57 H new ATOM 0 HG21 VAL A 5 -5.736 -8.605 4.818 1.00 2.33 H new ATOM 0 HG22 VAL A 5 -4.045 -8.163 4.481 1.00 2.33 H new ATOM 0 HG23 VAL A 5 -5.343 -7.615 3.393 1.00 2.33 H new ATOM 62 N LEU A 6 -1.932 -7.901 2.063 1.00 0.77 N ATOM 63 CA LEU A 6 -0.792 -7.206 2.632 1.00 0.93 C ATOM 64 C LEU A 6 -1.326 -5.988 3.359 1.00 0.97 C ATOM 65 O LEU A 6 -1.379 -4.896 2.806 1.00 0.93 O ATOM 66 CB LEU A 6 0.252 -6.849 1.568 1.00 1.04 C ATOM 67 CG LEU A 6 1.360 -7.906 1.422 1.00 1.50 C ATOM 68 CD1 LEU A 6 2.312 -7.951 2.625 1.00 2.15 C ATOM 69 CD2 LEU A 6 0.819 -9.307 1.115 1.00 3.24 C ATOM 0 H LEU A 6 -2.315 -7.451 1.231 1.00 0.77 H new ATOM 0 HA LEU A 6 -0.264 -7.851 3.334 1.00 0.93 H new ATOM 0 HB2 LEU A 6 -0.247 -6.722 0.608 1.00 1.04 H new ATOM 0 HB3 LEU A 6 0.705 -5.891 1.821 1.00 1.04 H new ATOM 0 HG LEU A 6 1.937 -7.579 0.557 1.00 1.50 H new ATOM 0 HD11 LEU A 6 3.070 -8.716 2.460 1.00 2.15 H new ATOM 0 HD12 LEU A 6 2.795 -6.981 2.743 1.00 2.15 H new ATOM 0 HD13 LEU A 6 1.748 -8.187 3.527 1.00 2.15 H new ATOM 0 HD21 LEU A 6 1.650 -10.006 1.024 1.00 3.24 H new ATOM 0 HD22 LEU A 6 0.161 -9.628 1.923 1.00 3.24 H new ATOM 0 HD23 LEU A 6 0.260 -9.284 0.180 1.00 3.24 H new ATOM 81 N GLU A 7 -1.689 -6.185 4.625 1.00 1.50 N ATOM 82 CA GLU A 7 -1.802 -5.067 5.540 1.00 1.56 C ATOM 83 C GLU A 7 -0.395 -4.770 6.039 1.00 1.60 C ATOM 84 O GLU A 7 0.091 -5.400 6.978 1.00 2.10 O ATOM 85 CB GLU A 7 -2.849 -5.314 6.635 1.00 1.96 C ATOM 86 CG GLU A 7 -3.310 -3.947 7.156 1.00 2.08 C ATOM 87 CD GLU A 7 -4.378 -4.050 8.227 1.00 2.92 C ATOM 88 OE1 GLU A 7 -4.053 -4.499 9.339 1.00 3.09 O ATOM 89 OE2 GLU A 7 -5.504 -3.592 7.920 1.00 4.35 O ATOM 0 H GLU A 7 -1.905 -7.096 5.030 1.00 1.50 H new ATOM 0 HA GLU A 7 -2.189 -4.176 5.045 1.00 1.56 H new ATOM 0 HB2 GLU A 7 -3.694 -5.876 6.237 1.00 1.96 H new ATOM 0 HB3 GLU A 7 -2.424 -5.908 7.444 1.00 1.96 H new ATOM 0 HG2 GLU A 7 -2.451 -3.409 7.558 1.00 2.08 H new ATOM 0 HG3 GLU A 7 -3.694 -3.358 6.323 1.00 2.08 H new ATOM 96 N LEU A 8 0.283 -3.863 5.335 1.00 1.26 N ATOM 97 CA LEU A 8 1.641 -3.460 5.649 1.00 1.31 C ATOM 98 C LEU A 8 1.614 -2.073 6.287 1.00 1.13 C ATOM 99 O LEU A 8 0.648 -1.327 6.125 1.00 1.05 O ATOM 100 CB LEU A 8 2.560 -3.606 4.419 1.00 1.47 C ATOM 101 CG LEU A 8 2.054 -3.076 3.067 1.00 1.32 C ATOM 102 CD1 LEU A 8 2.003 -1.551 3.041 1.00 1.75 C ATOM 103 CD2 LEU A 8 3.004 -3.543 1.956 1.00 2.11 C ATOM 0 H LEU A 8 -0.106 -3.386 4.522 1.00 1.26 H new ATOM 0 HA LEU A 8 2.085 -4.125 6.389 1.00 1.31 H new ATOM 0 HB2 LEU A 8 3.500 -3.102 4.644 1.00 1.47 H new ATOM 0 HB3 LEU A 8 2.788 -4.665 4.297 1.00 1.47 H new ATOM 0 HG LEU A 8 1.046 -3.462 2.915 1.00 1.32 H new ATOM 0 HD11 LEU A 8 1.641 -1.216 2.069 1.00 1.75 H new ATOM 0 HD12 LEU A 8 1.330 -1.196 3.822 1.00 1.75 H new ATOM 0 HD13 LEU A 8 3.002 -1.151 3.214 1.00 1.75 H new ATOM 0 HD21 LEU A 8 2.651 -3.170 0.995 1.00 2.11 H new ATOM 0 HD22 LEU A 8 4.006 -3.158 2.148 1.00 2.11 H new ATOM 0 HD23 LEU A 8 3.032 -4.632 1.935 1.00 2.11 H new ATOM 115 N VAL A 9 2.659 -1.733 7.040 1.00 1.14 N ATOM 116 CA VAL A 9 2.838 -0.389 7.546 1.00 1.07 C ATOM 117 C VAL A 9 3.396 0.441 6.389 1.00 1.04 C ATOM 118 O VAL A 9 4.211 -0.059 5.612 1.00 1.26 O ATOM 119 CB VAL A 9 3.725 -0.416 8.806 1.00 1.15 C ATOM 120 CG1 VAL A 9 4.683 0.770 8.886 1.00 1.15 C ATOM 121 CG2 VAL A 9 2.852 -0.447 10.066 1.00 1.21 C ATOM 0 H VAL A 9 3.397 -2.383 7.311 1.00 1.14 H new ATOM 0 HA VAL A 9 1.906 0.071 7.875 1.00 1.07 H new ATOM 0 HB VAL A 9 4.330 -1.321 8.740 1.00 1.15 H new ATOM 0 HG11 VAL A 9 5.280 0.695 9.795 1.00 1.15 H new ATOM 0 HG12 VAL A 9 5.342 0.765 8.017 1.00 1.15 H new ATOM 0 HG13 VAL A 9 4.112 1.698 8.903 1.00 1.15 H new ATOM 0 HG21 VAL A 9 3.489 -0.466 10.950 1.00 1.21 H new ATOM 0 HG22 VAL A 9 2.220 0.441 10.093 1.00 1.21 H new ATOM 0 HG23 VAL A 9 2.225 -1.338 10.052 1.00 1.21 H new ATOM 131 N VAL A 10 2.943 1.689 6.258 1.00 0.84 N ATOM 132 CA VAL A 10 3.444 2.669 5.329 1.00 0.78 C ATOM 133 C VAL A 10 3.809 3.889 6.164 1.00 0.83 C ATOM 134 O VAL A 10 2.966 4.403 6.898 1.00 1.02 O ATOM 135 CB VAL A 10 2.369 2.989 4.285 1.00 0.69 C ATOM 136 CG1 VAL A 10 2.867 4.102 3.369 1.00 1.62 C ATOM 137 CG2 VAL A 10 2.082 1.745 3.447 1.00 1.98 C ATOM 0 H VAL A 10 2.179 2.048 6.831 1.00 0.84 H new ATOM 0 HA VAL A 10 4.315 2.314 4.778 1.00 0.78 H new ATOM 0 HB VAL A 10 1.458 3.307 4.792 1.00 0.69 H new ATOM 0 HG11 VAL A 10 2.103 4.331 2.626 1.00 1.62 H new ATOM 0 HG12 VAL A 10 3.076 4.993 3.960 1.00 1.62 H new ATOM 0 HG13 VAL A 10 3.778 3.778 2.865 1.00 1.62 H new ATOM 0 HG21 VAL A 10 1.317 1.975 2.705 1.00 1.98 H new ATOM 0 HG22 VAL A 10 2.994 1.428 2.942 1.00 1.98 H new ATOM 0 HG23 VAL A 10 1.729 0.943 4.095 1.00 1.98 H new ATOM 147 N ARG A 11 5.058 4.337 6.068 1.00 0.86 N ATOM 148 CA ARG A 11 5.565 5.473 6.820 1.00 0.94 C ATOM 149 C ARG A 11 5.861 6.609 5.838 1.00 0.89 C ATOM 150 O ARG A 11 6.040 6.371 4.644 1.00 1.15 O ATOM 151 CB ARG A 11 6.753 5.038 7.694 1.00 1.13 C ATOM 152 CG ARG A 11 6.333 3.879 8.613 1.00 1.96 C ATOM 153 CD ARG A 11 7.375 3.555 9.698 1.00 2.48 C ATOM 154 NE ARG A 11 6.868 2.557 10.663 1.00 4.04 N ATOM 155 CZ ARG A 11 5.860 2.759 11.528 1.00 5.51 C ATOM 156 NH1 ARG A 11 5.357 3.988 11.661 1.00 6.02 N ATOM 157 NH2 ARG A 11 5.338 1.754 12.235 1.00 7.06 N ATOM 0 H ARG A 11 5.754 3.912 5.455 1.00 0.86 H new ATOM 0 HA ARG A 11 4.828 5.858 7.525 1.00 0.94 H new ATOM 0 HB2 ARG A 11 7.586 4.729 7.062 1.00 1.13 H new ATOM 0 HB3 ARG A 11 7.102 5.879 8.292 1.00 1.13 H new ATOM 0 HG2 ARG A 11 5.386 4.129 9.091 1.00 1.96 H new ATOM 0 HG3 ARG A 11 6.160 2.989 8.008 1.00 1.96 H new ATOM 0 HD2 ARG A 11 8.284 3.178 9.229 1.00 2.48 H new ATOM 0 HD3 ARG A 11 7.645 4.469 10.228 1.00 2.48 H new ATOM 0 HE ARG A 11 7.319 1.642 10.673 1.00 4.04 H new ATOM 0 HH11 ARG A 11 5.738 4.757 11.110 1.00 6.02 H new ATOM 0 HH12 ARG A 11 4.592 4.158 12.313 1.00 6.02 H new ATOM 0 HH21 ARG A 11 5.704 0.808 12.124 1.00 7.06 H new ATOM 0 HH22 ARG A 11 4.573 1.932 12.886 1.00 7.06 H new ATOM 171 N GLY A 12 5.788 7.853 6.321 1.00 0.93 N ATOM 172 CA GLY A 12 5.867 9.045 5.485 1.00 0.95 C ATOM 173 C GLY A 12 4.490 9.633 5.153 1.00 0.92 C ATOM 174 O GLY A 12 4.422 10.725 4.594 1.00 1.12 O ATOM 0 H GLY A 12 5.671 8.058 7.313 1.00 0.93 H new ATOM 0 HA2 GLY A 12 6.466 9.800 5.994 1.00 0.95 H new ATOM 0 HA3 GLY A 12 6.385 8.799 4.558 1.00 0.95 H new ATOM 178 N MET A 13 3.390 8.954 5.516 1.00 1.14 N ATOM 179 CA MET A 13 2.040 9.492 5.360 1.00 1.18 C ATOM 180 C MET A 13 1.810 10.640 6.343 1.00 1.07 C ATOM 181 O MET A 13 1.119 10.479 7.346 1.00 1.37 O ATOM 182 CB MET A 13 0.983 8.404 5.583 1.00 1.53 C ATOM 183 CG MET A 13 0.990 7.359 4.472 1.00 0.90 C ATOM 184 SD MET A 13 -0.468 6.286 4.416 1.00 1.52 S ATOM 185 CE MET A 13 -0.449 5.618 6.087 1.00 1.38 C ATOM 0 H MET A 13 3.417 8.020 5.924 1.00 1.14 H new ATOM 0 HA MET A 13 1.945 9.864 4.340 1.00 1.18 H new ATOM 0 HB2 MET A 13 1.163 7.915 6.541 1.00 1.53 H new ATOM 0 HB3 MET A 13 -0.003 8.864 5.641 1.00 1.53 H new ATOM 0 HG2 MET A 13 1.082 7.871 3.514 1.00 0.90 H new ATOM 0 HG3 MET A 13 1.877 6.735 4.587 1.00 0.90 H new ATOM 0 HE1 MET A 13 -1.245 4.881 6.193 1.00 1.38 H new ATOM 0 HE2 MET A 13 0.513 5.142 6.278 1.00 1.38 H new ATOM 0 HE3 MET A 13 -0.603 6.425 6.803 1.00 1.38 H new ATOM 195 N THR A 14 2.401 11.799 6.064 1.00 0.93 N ATOM 196 CA THR A 14 2.336 12.926 6.978 1.00 0.91 C ATOM 197 C THR A 14 0.910 13.486 7.091 1.00 0.88 C ATOM 198 O THR A 14 0.521 13.927 8.172 1.00 1.14 O ATOM 199 CB THR A 14 3.408 13.970 6.615 1.00 0.99 C ATOM 200 OG1 THR A 14 3.482 14.970 7.609 1.00 1.62 O ATOM 201 CG2 THR A 14 3.191 14.635 5.254 1.00 0.93 C ATOM 0 H THR A 14 2.930 11.978 5.210 1.00 0.93 H new ATOM 0 HA THR A 14 2.575 12.586 7.986 1.00 0.91 H new ATOM 0 HB THR A 14 4.345 13.416 6.555 1.00 0.99 H new ATOM 0 HG1 THR A 14 4.169 15.625 7.364 1.00 1.62 H new ATOM 0 HG21 THR A 14 3.987 15.357 5.071 1.00 0.93 H new ATOM 0 HG22 THR A 14 3.203 13.876 4.472 1.00 0.93 H new ATOM 0 HG23 THR A 14 2.228 15.146 5.248 1.00 0.93 H new ATOM 209 N CYS A 15 0.115 13.472 6.008 1.00 0.70 N ATOM 210 CA CYS A 15 -1.192 14.119 6.011 1.00 0.66 C ATOM 211 C CYS A 15 -2.170 13.477 5.026 1.00 0.61 C ATOM 212 O CYS A 15 -1.806 12.625 4.210 1.00 0.57 O ATOM 213 CB CYS A 15 -1.008 15.611 5.709 1.00 0.81 C ATOM 214 SG CYS A 15 -0.571 15.971 3.990 1.00 0.81 S ATOM 0 H CYS A 15 0.360 13.020 5.127 1.00 0.70 H new ATOM 0 HA CYS A 15 -1.634 13.991 6.999 1.00 0.66 H new ATOM 0 HB2 CYS A 15 -1.931 16.137 5.955 1.00 0.81 H new ATOM 0 HB3 CYS A 15 -0.230 16.009 6.361 1.00 0.81 H new ATOM 0 HG CYS A 15 -0.440 17.255 3.835 1.00 0.81 H new ATOM 219 N ALA A 16 -3.424 13.936 5.098 1.00 0.66 N ATOM 220 CA ALA A 16 -4.527 13.527 4.239 1.00 0.72 C ATOM 221 C ALA A 16 -4.109 13.459 2.769 1.00 0.72 C ATOM 222 O ALA A 16 -4.456 12.508 2.069 1.00 0.71 O ATOM 223 CB ALA A 16 -5.697 14.498 4.420 1.00 0.94 C ATOM 0 H ALA A 16 -3.704 14.633 5.788 1.00 0.66 H new ATOM 0 HA ALA A 16 -4.834 12.523 4.531 1.00 0.72 H new ATOM 0 HB1 ALA A 16 -6.524 14.195 3.778 1.00 0.94 H new ATOM 0 HB2 ALA A 16 -6.022 14.487 5.460 1.00 0.94 H new ATOM 0 HB3 ALA A 16 -5.379 15.505 4.150 1.00 0.94 H new ATOM 229 N SER A 17 -3.368 14.470 2.305 1.00 0.79 N ATOM 230 CA SER A 17 -2.892 14.560 0.937 1.00 0.84 C ATOM 231 C SER A 17 -2.019 13.364 0.543 1.00 0.78 C ATOM 232 O SER A 17 -2.051 12.957 -0.613 1.00 0.90 O ATOM 233 CB SER A 17 -2.151 15.883 0.742 1.00 0.97 C ATOM 234 OG SER A 17 -2.952 16.937 1.244 1.00 1.54 O ATOM 0 H SER A 17 -3.082 15.258 2.886 1.00 0.79 H new ATOM 0 HA SER A 17 -3.756 14.533 0.273 1.00 0.84 H new ATOM 0 HB2 SER A 17 -1.193 15.858 1.261 1.00 0.97 H new ATOM 0 HB3 SER A 17 -1.937 16.043 -0.315 1.00 0.97 H new ATOM 0 HG SER A 17 -2.483 17.789 1.125 1.00 1.54 H new ATOM 240 N CYS A 18 -1.245 12.797 1.474 1.00 0.67 N ATOM 241 CA CYS A 18 -0.553 11.541 1.227 1.00 0.60 C ATOM 242 C CYS A 18 -1.572 10.404 1.187 1.00 0.49 C ATOM 243 O CYS A 18 -1.684 9.654 0.216 1.00 0.46 O ATOM 244 CB CYS A 18 0.480 11.298 2.334 1.00 0.65 C ATOM 245 SG CYS A 18 1.695 12.619 2.559 1.00 0.93 S ATOM 0 H CYS A 18 -1.086 13.191 2.401 1.00 0.67 H new ATOM 0 HA CYS A 18 -0.034 11.585 0.270 1.00 0.60 H new ATOM 0 HB2 CYS A 18 -0.049 11.149 3.275 1.00 0.65 H new ATOM 0 HB3 CYS A 18 1.011 10.371 2.116 1.00 0.65 H new ATOM 0 HG CYS A 18 2.732 12.152 3.189 1.00 0.93 H new ATOM 250 N VAL A 19 -2.309 10.293 2.290 1.00 0.55 N ATOM 251 CA VAL A 19 -3.212 9.196 2.602 1.00 0.63 C ATOM 252 C VAL A 19 -4.136 8.913 1.412 1.00 0.61 C ATOM 253 O VAL A 19 -4.109 7.822 0.838 1.00 0.61 O ATOM 254 CB VAL A 19 -3.955 9.573 3.896 1.00 0.87 C ATOM 255 CG1 VAL A 19 -5.069 8.612 4.320 1.00 1.11 C ATOM 256 CG2 VAL A 19 -2.962 9.682 5.065 1.00 0.99 C ATOM 0 H VAL A 19 -2.289 11.002 3.023 1.00 0.55 H new ATOM 0 HA VAL A 19 -2.679 8.261 2.774 1.00 0.63 H new ATOM 0 HB VAL A 19 -4.431 10.525 3.663 1.00 0.87 H new ATOM 0 HG11 VAL A 19 -5.527 8.970 5.242 1.00 1.11 H new ATOM 0 HG12 VAL A 19 -5.824 8.562 3.536 1.00 1.11 H new ATOM 0 HG13 VAL A 19 -4.650 7.619 4.484 1.00 1.11 H new ATOM 0 HG21 VAL A 19 -3.499 9.949 5.975 1.00 0.99 H new ATOM 0 HG22 VAL A 19 -2.461 8.724 5.207 1.00 0.99 H new ATOM 0 HG23 VAL A 19 -2.221 10.450 4.843 1.00 0.99 H new ATOM 266 N HIS A 20 -4.942 9.900 1.010 1.00 0.66 N ATOM 267 CA HIS A 20 -5.911 9.683 -0.057 1.00 0.73 C ATOM 268 C HIS A 20 -5.217 9.457 -1.405 1.00 0.61 C ATOM 269 O HIS A 20 -5.755 8.776 -2.278 1.00 0.69 O ATOM 270 CB HIS A 20 -6.961 10.807 -0.092 1.00 0.92 C ATOM 271 CG HIS A 20 -6.639 12.003 -0.957 1.00 0.77 C ATOM 272 ND1 HIS A 20 -7.500 12.593 -1.856 1.00 0.81 N ATOM 273 CD2 HIS A 20 -5.460 12.695 -1.007 1.00 0.81 C ATOM 274 CE1 HIS A 20 -6.845 13.614 -2.435 1.00 0.82 C ATOM 275 NE2 HIS A 20 -5.595 13.713 -1.954 1.00 0.91 N ATOM 0 H HIS A 20 -4.941 10.841 1.403 1.00 0.66 H new ATOM 0 HA HIS A 20 -6.457 8.764 0.156 1.00 0.73 H new ATOM 0 HB2 HIS A 20 -7.904 10.382 -0.435 1.00 0.92 H new ATOM 0 HB3 HIS A 20 -7.121 11.157 0.928 1.00 0.92 H new ATOM 0 HD2 HIS A 20 -4.579 12.490 -0.417 1.00 0.81 H new ATOM 0 HE1 HIS A 20 -7.267 14.266 -3.185 1.00 0.82 H new ATOM 0 HE2 HIS A 20 -4.886 14.395 -2.226 1.00 0.91 H new ATOM 283 N LYS A 21 -4.021 10.030 -1.590 1.00 0.52 N ATOM 284 CA LYS A 21 -3.287 9.908 -2.835 1.00 0.48 C ATOM 285 C LYS A 21 -2.817 8.471 -3.009 1.00 0.46 C ATOM 286 O LYS A 21 -2.858 7.949 -4.123 1.00 0.49 O ATOM 287 CB LYS A 21 -2.129 10.914 -2.880 1.00 0.48 C ATOM 288 CG LYS A 21 -1.311 10.882 -4.177 1.00 0.62 C ATOM 289 CD LYS A 21 -2.216 11.115 -5.394 1.00 2.93 C ATOM 290 CE LYS A 21 -1.398 11.437 -6.651 1.00 3.71 C ATOM 291 NZ LYS A 21 -2.269 11.742 -7.806 1.00 5.81 N ATOM 0 H LYS A 21 -3.546 10.586 -0.879 1.00 0.52 H new ATOM 0 HA LYS A 21 -3.941 10.148 -3.673 1.00 0.48 H new ATOM 0 HB2 LYS A 21 -2.531 11.918 -2.743 1.00 0.48 H new ATOM 0 HB3 LYS A 21 -1.462 10.720 -2.040 1.00 0.48 H new ATOM 0 HG2 LYS A 21 -0.535 11.647 -4.143 1.00 0.62 H new ATOM 0 HG3 LYS A 21 -0.807 9.920 -4.271 1.00 0.62 H new ATOM 0 HD2 LYS A 21 -2.824 10.228 -5.572 1.00 2.93 H new ATOM 0 HD3 LYS A 21 -2.903 11.935 -5.186 1.00 2.93 H new ATOM 0 HE2 LYS A 21 -0.745 12.287 -6.453 1.00 3.71 H new ATOM 0 HE3 LYS A 21 -0.755 10.591 -6.893 1.00 3.71 H new ATOM 0 HZ1 LYS A 21 -1.681 11.955 -8.637 1.00 5.81 H new ATOM 0 HZ2 LYS A 21 -2.874 10.921 -8.011 1.00 5.81 H new ATOM 0 HZ3 LYS A 21 -2.865 12.565 -7.584 1.00 5.81 H new ATOM 305 N ILE A 22 -2.381 7.823 -1.928 1.00 0.45 N ATOM 306 CA ILE A 22 -2.020 6.412 -1.973 1.00 0.49 C ATOM 307 C ILE A 22 -3.218 5.604 -2.474 1.00 0.51 C ATOM 308 O ILE A 22 -3.128 4.998 -3.540 1.00 0.56 O ATOM 309 CB ILE A 22 -1.487 5.947 -0.608 1.00 0.51 C ATOM 310 CG1 ILE A 22 -0.154 6.662 -0.334 1.00 0.50 C ATOM 311 CG2 ILE A 22 -1.259 4.428 -0.580 1.00 0.65 C ATOM 312 CD1 ILE A 22 0.128 6.768 1.158 1.00 0.75 C ATOM 0 H ILE A 22 -2.270 8.256 -1.011 1.00 0.45 H new ATOM 0 HA ILE A 22 -1.205 6.248 -2.677 1.00 0.49 H new ATOM 0 HB ILE A 22 -2.226 6.191 0.156 1.00 0.51 H new ATOM 0 HG12 ILE A 22 0.657 6.120 -0.821 1.00 0.50 H new ATOM 0 HG13 ILE A 22 -0.179 7.660 -0.772 1.00 0.50 H new ATOM 0 HG21 ILE A 22 -0.882 4.135 0.400 1.00 0.65 H new ATOM 0 HG22 ILE A 22 -2.201 3.915 -0.775 1.00 0.65 H new ATOM 0 HG23 ILE A 22 -0.532 4.155 -1.345 1.00 0.65 H new ATOM 0 HD11 ILE A 22 1.078 7.279 1.313 1.00 0.75 H new ATOM 0 HD12 ILE A 22 -0.670 7.332 1.640 1.00 0.75 H new ATOM 0 HD13 ILE A 22 0.178 5.769 1.591 1.00 0.75 H new ATOM 324 N GLU A 23 -4.344 5.632 -1.753 1.00 0.53 N ATOM 325 CA GLU A 23 -5.579 4.969 -2.172 1.00 0.66 C ATOM 326 C GLU A 23 -5.891 5.251 -3.644 1.00 0.63 C ATOM 327 O GLU A 23 -5.962 4.333 -4.463 1.00 0.74 O ATOM 328 CB GLU A 23 -6.737 5.419 -1.266 1.00 0.81 C ATOM 329 CG GLU A 23 -6.852 4.484 -0.058 1.00 1.29 C ATOM 330 CD GLU A 23 -7.754 5.031 1.049 1.00 2.42 C ATOM 331 OE1 GLU A 23 -8.415 6.059 0.796 1.00 3.26 O ATOM 332 OE2 GLU A 23 -7.759 4.404 2.135 1.00 3.36 O ATOM 0 H GLU A 23 -4.422 6.118 -0.859 1.00 0.53 H new ATOM 0 HA GLU A 23 -5.448 3.891 -2.072 1.00 0.66 H new ATOM 0 HB2 GLU A 23 -6.570 6.442 -0.929 1.00 0.81 H new ATOM 0 HB3 GLU A 23 -7.671 5.417 -1.828 1.00 0.81 H new ATOM 0 HG2 GLU A 23 -7.239 3.520 -0.389 1.00 1.29 H new ATOM 0 HG3 GLU A 23 -5.857 4.305 0.349 1.00 1.29 H new ATOM 339 N SER A 24 -6.055 6.531 -3.977 1.00 0.58 N ATOM 340 CA SER A 24 -6.404 6.981 -5.315 1.00 0.70 C ATOM 341 C SER A 24 -5.402 6.492 -6.361 1.00 0.72 C ATOM 342 O SER A 24 -5.801 6.129 -7.464 1.00 0.95 O ATOM 343 CB SER A 24 -6.510 8.512 -5.304 1.00 0.79 C ATOM 344 OG SER A 24 -6.822 9.033 -6.582 1.00 1.12 O ATOM 0 H SER A 24 -5.946 7.294 -3.309 1.00 0.58 H new ATOM 0 HA SER A 24 -7.365 6.553 -5.598 1.00 0.70 H new ATOM 0 HB2 SER A 24 -7.277 8.817 -4.592 1.00 0.79 H new ATOM 0 HB3 SER A 24 -5.568 8.938 -4.960 1.00 0.79 H new ATOM 0 HG SER A 24 -6.882 10.010 -6.531 1.00 1.12 H new ATOM 350 N SER A 25 -4.104 6.480 -6.043 1.00 0.55 N ATOM 351 CA SER A 25 -3.110 6.052 -7.003 1.00 0.56 C ATOM 352 C SER A 25 -3.268 4.558 -7.183 1.00 0.68 C ATOM 353 O SER A 25 -3.371 4.071 -8.301 1.00 0.90 O ATOM 354 CB SER A 25 -1.690 6.406 -6.542 1.00 0.50 C ATOM 355 OG SER A 25 -0.731 5.971 -7.503 1.00 1.17 O ATOM 0 H SER A 25 -3.730 6.760 -5.136 1.00 0.55 H new ATOM 0 HA SER A 25 -3.260 6.569 -7.951 1.00 0.56 H new ATOM 0 HB2 SER A 25 -1.606 7.483 -6.397 1.00 0.50 H new ATOM 0 HB3 SER A 25 -1.487 5.938 -5.579 1.00 0.50 H new ATOM 0 HG SER A 25 0.110 5.754 -7.050 1.00 1.17 H new ATOM 361 N LEU A 26 -3.206 3.806 -6.093 1.00 0.60 N ATOM 362 CA LEU A 26 -3.135 2.368 -6.142 1.00 0.69 C ATOM 363 C LEU A 26 -4.397 1.789 -6.781 1.00 0.72 C ATOM 364 O LEU A 26 -4.299 0.822 -7.537 1.00 0.76 O ATOM 365 CB LEU A 26 -2.876 1.826 -4.740 1.00 0.72 C ATOM 366 CG LEU A 26 -1.380 1.686 -4.411 1.00 0.89 C ATOM 367 CD1 LEU A 26 -0.595 3.001 -4.498 1.00 2.74 C ATOM 368 CD2 LEU A 26 -1.255 1.128 -2.994 1.00 1.60 C ATOM 0 H LEU A 26 -3.204 4.188 -5.147 1.00 0.60 H new ATOM 0 HA LEU A 26 -2.303 2.056 -6.773 1.00 0.69 H new ATOM 0 HB2 LEU A 26 -3.341 2.488 -4.010 1.00 0.72 H new ATOM 0 HB3 LEU A 26 -3.356 0.853 -4.639 1.00 0.72 H new ATOM 0 HG LEU A 26 -0.948 1.022 -5.159 1.00 0.89 H new ATOM 0 HD11 LEU A 26 0.451 2.817 -4.252 1.00 2.74 H new ATOM 0 HD12 LEU A 26 -0.665 3.400 -5.510 1.00 2.74 H new ATOM 0 HD13 LEU A 26 -1.012 3.721 -3.794 1.00 2.74 H new ATOM 0 HD21 LEU A 26 -0.201 1.020 -2.737 1.00 1.60 H new ATOM 0 HD22 LEU A 26 -1.731 1.811 -2.291 1.00 1.60 H new ATOM 0 HD23 LEU A 26 -1.743 0.155 -2.942 1.00 1.60 H new ATOM 380 N THR A 27 -5.555 2.412 -6.536 1.00 0.78 N ATOM 381 CA THR A 27 -6.813 2.094 -7.208 1.00 1.01 C ATOM 382 C THR A 27 -6.755 2.533 -8.682 1.00 1.27 C ATOM 383 O THR A 27 -7.461 3.435 -9.125 1.00 2.73 O ATOM 384 CB THR A 27 -7.995 2.698 -6.431 1.00 1.04 C ATOM 385 OG1 THR A 27 -7.844 2.415 -5.053 1.00 1.76 O ATOM 386 CG2 THR A 27 -9.325 2.079 -6.872 1.00 1.94 C ATOM 0 H THR A 27 -5.642 3.164 -5.853 1.00 0.78 H new ATOM 0 HA THR A 27 -6.970 1.015 -7.217 1.00 1.01 H new ATOM 0 HB THR A 27 -8.003 3.770 -6.626 1.00 1.04 H new ATOM 0 HG1 THR A 27 -7.220 3.056 -4.654 1.00 1.76 H new ATOM 0 HG21 THR A 27 -10.141 2.527 -6.304 1.00 1.94 H new ATOM 0 HG22 THR A 27 -9.478 2.265 -7.935 1.00 1.94 H new ATOM 0 HG23 THR A 27 -9.304 1.004 -6.691 1.00 1.94 H new ATOM 394 N LYS A 28 -5.897 1.842 -9.429 1.00 0.81 N ATOM 395 CA LYS A 28 -5.659 1.927 -10.863 1.00 0.76 C ATOM 396 C LYS A 28 -5.012 0.624 -11.346 1.00 0.73 C ATOM 397 O LYS A 28 -5.364 0.120 -12.410 1.00 0.93 O ATOM 398 CB LYS A 28 -4.810 3.159 -11.240 1.00 0.84 C ATOM 399 CG LYS A 28 -3.296 2.977 -11.035 1.00 1.64 C ATOM 400 CD LYS A 28 -2.551 4.315 -11.206 1.00 2.55 C ATOM 401 CE LYS A 28 -1.077 4.211 -10.778 1.00 4.01 C ATOM 402 NZ LYS A 28 -0.947 3.975 -9.324 1.00 5.39 N ATOM 0 H LYS A 28 -5.293 1.141 -9.000 1.00 0.81 H new ATOM 0 HA LYS A 28 -6.617 2.057 -11.367 1.00 0.76 H new ATOM 0 HB2 LYS A 28 -4.995 3.406 -12.285 1.00 0.84 H new ATOM 0 HB3 LYS A 28 -5.144 4.010 -10.647 1.00 0.84 H new ATOM 0 HG2 LYS A 28 -3.106 2.575 -10.040 1.00 1.64 H new ATOM 0 HG3 LYS A 28 -2.913 2.249 -11.751 1.00 1.64 H new ATOM 0 HD2 LYS A 28 -2.605 4.630 -12.248 1.00 2.55 H new ATOM 0 HD3 LYS A 28 -3.047 5.085 -10.615 1.00 2.55 H new ATOM 0 HE2 LYS A 28 -0.596 3.399 -11.323 1.00 4.01 H new ATOM 0 HE3 LYS A 28 -0.554 5.129 -11.046 1.00 4.01 H new ATOM 0 HZ1 LYS A 28 -0.593 4.837 -8.863 1.00 5.39 H new ATOM 0 HZ2 LYS A 28 -1.876 3.727 -8.928 1.00 5.39 H new ATOM 0 HZ3 LYS A 28 -0.280 3.194 -9.157 1.00 5.39 H new ATOM 416 N HIS A 29 -4.040 0.084 -10.590 1.00 0.62 N ATOM 417 CA HIS A 29 -3.367 -1.139 -11.008 1.00 0.70 C ATOM 418 C HIS A 29 -4.371 -2.291 -10.970 1.00 0.85 C ATOM 419 O HIS A 29 -4.745 -2.732 -9.893 1.00 1.57 O ATOM 420 CB HIS A 29 -2.170 -1.466 -10.100 1.00 0.74 C ATOM 421 CG HIS A 29 -1.236 -0.316 -9.838 1.00 0.80 C ATOM 422 ND1 HIS A 29 -0.184 0.096 -10.623 1.00 1.54 N ATOM 423 CD2 HIS A 29 -1.217 0.433 -8.696 1.00 0.91 C ATOM 424 CE1 HIS A 29 0.430 1.095 -9.966 1.00 1.46 C ATOM 425 NE2 HIS A 29 -0.197 1.383 -8.813 1.00 1.04 N ATOM 0 H HIS A 29 -3.714 0.472 -9.705 1.00 0.62 H new ATOM 0 HA HIS A 29 -2.986 -0.997 -12.019 1.00 0.70 H new ATOM 0 HB2 HIS A 29 -2.547 -1.832 -9.145 1.00 0.74 H new ATOM 0 HB3 HIS A 29 -1.602 -2.279 -10.552 1.00 0.74 H new ATOM 0 HD1 HIS A 29 0.080 -0.285 -11.532 1.00 1.54 H new ATOM 0 HD2 HIS A 29 -1.876 0.313 -7.849 1.00 0.91 H new ATOM 0 HE1 HIS A 29 1.315 1.602 -10.320 1.00 1.46 H new ATOM 433 N ARG A 30 -4.772 -2.836 -12.118 1.00 0.99 N ATOM 434 CA ARG A 30 -5.618 -4.030 -12.127 1.00 1.08 C ATOM 435 C ARG A 30 -4.922 -5.216 -11.446 1.00 1.20 C ATOM 436 O ARG A 30 -5.577 -6.172 -11.044 1.00 1.77 O ATOM 437 CB ARG A 30 -6.016 -4.389 -13.564 1.00 1.32 C ATOM 438 CG ARG A 30 -6.790 -3.261 -14.260 1.00 2.02 C ATOM 439 CD ARG A 30 -7.138 -3.677 -15.694 1.00 2.92 C ATOM 440 NE ARG A 30 -7.813 -2.587 -16.416 1.00 4.05 N ATOM 441 CZ ARG A 30 -8.147 -2.622 -17.717 1.00 5.35 C ATOM 442 NH1 ARG A 30 -7.895 -3.721 -18.439 1.00 5.91 N ATOM 443 NH2 ARG A 30 -8.725 -1.561 -18.291 1.00 6.60 N ATOM 0 H ARG A 30 -4.530 -2.477 -13.041 1.00 0.99 H new ATOM 0 HA ARG A 30 -6.520 -3.807 -11.558 1.00 1.08 H new ATOM 0 HB2 ARG A 30 -5.119 -4.618 -14.139 1.00 1.32 H new ATOM 0 HB3 ARG A 30 -6.627 -5.292 -13.553 1.00 1.32 H new ATOM 0 HG2 ARG A 30 -7.701 -3.037 -13.705 1.00 2.02 H new ATOM 0 HG3 ARG A 30 -6.192 -2.350 -14.271 1.00 2.02 H new ATOM 0 HD2 ARG A 30 -6.228 -3.959 -16.224 1.00 2.92 H new ATOM 0 HD3 ARG A 30 -7.781 -4.557 -15.674 1.00 2.92 H new ATOM 0 HE ARG A 30 -8.044 -1.744 -15.891 1.00 4.05 H new ATOM 0 HH11 ARG A 30 -7.451 -4.528 -18.001 1.00 5.91 H new ATOM 0 HH12 ARG A 30 -8.147 -3.751 -19.427 1.00 5.91 H new ATOM 0 HH21 ARG A 30 -8.913 -0.723 -17.741 1.00 6.60 H new ATOM 0 HH22 ARG A 30 -8.978 -1.590 -19.279 1.00 6.60 H new ATOM 457 N GLY A 31 -3.594 -5.144 -11.310 1.00 1.43 N ATOM 458 CA GLY A 31 -2.822 -6.037 -10.470 1.00 1.60 C ATOM 459 C GLY A 31 -3.369 -6.116 -9.040 1.00 1.35 C ATOM 460 O GLY A 31 -3.370 -7.189 -8.440 1.00 1.54 O ATOM 0 H GLY A 31 -3.025 -4.449 -11.793 1.00 1.43 H new ATOM 0 HA2 GLY A 31 -2.820 -7.034 -10.911 1.00 1.60 H new ATOM 0 HA3 GLY A 31 -1.786 -5.699 -10.441 1.00 1.60 H new ATOM 464 N ILE A 32 -3.806 -4.980 -8.479 1.00 1.22 N ATOM 465 CA ILE A 32 -4.373 -4.939 -7.139 1.00 1.16 C ATOM 466 C ILE A 32 -5.892 -5.061 -7.190 1.00 1.23 C ATOM 467 O ILE A 32 -6.519 -4.766 -8.205 1.00 1.52 O ATOM 468 CB ILE A 32 -3.865 -3.737 -6.316 1.00 1.10 C ATOM 469 CG1 ILE A 32 -4.431 -2.335 -6.607 1.00 1.50 C ATOM 470 CG2 ILE A 32 -2.336 -3.657 -6.390 1.00 1.92 C ATOM 471 CD1 ILE A 32 -5.853 -2.092 -6.095 1.00 2.30 C ATOM 0 H ILE A 32 -3.774 -4.073 -8.944 1.00 1.22 H new ATOM 0 HA ILE A 32 -4.013 -5.811 -6.593 1.00 1.16 H new ATOM 0 HB ILE A 32 -4.252 -3.973 -5.325 1.00 1.10 H new ATOM 0 HG12 ILE A 32 -3.769 -1.593 -6.161 1.00 1.50 H new ATOM 0 HG13 ILE A 32 -4.416 -2.170 -7.684 1.00 1.50 H new ATOM 0 HG21 ILE A 32 -1.988 -2.805 -5.806 1.00 1.92 H new ATOM 0 HG22 ILE A 32 -1.904 -4.574 -5.988 1.00 1.92 H new ATOM 0 HG23 ILE A 32 -2.028 -3.535 -7.428 1.00 1.92 H new ATOM 0 HD11 ILE A 32 -6.162 -1.078 -6.348 1.00 2.30 H new ATOM 0 HD12 ILE A 32 -6.534 -2.806 -6.559 1.00 2.30 H new ATOM 0 HD13 ILE A 32 -5.877 -2.219 -5.013 1.00 2.30 H new ATOM 483 N LEU A 33 -6.475 -5.504 -6.076 1.00 1.05 N ATOM 484 CA LEU A 33 -7.907 -5.676 -5.898 1.00 1.11 C ATOM 485 C LEU A 33 -8.451 -4.566 -5.000 1.00 1.13 C ATOM 486 O LEU A 33 -9.529 -4.040 -5.266 1.00 1.26 O ATOM 487 CB LEU A 33 -8.194 -7.061 -5.300 1.00 1.09 C ATOM 488 CG LEU A 33 -7.645 -8.216 -6.155 1.00 1.37 C ATOM 489 CD1 LEU A 33 -7.828 -9.531 -5.395 1.00 1.76 C ATOM 490 CD2 LEU A 33 -8.338 -8.313 -7.519 1.00 1.90 C ATOM 0 H LEU A 33 -5.939 -5.761 -5.247 1.00 1.05 H new ATOM 0 HA LEU A 33 -8.407 -5.611 -6.864 1.00 1.11 H new ATOM 0 HB2 LEU A 33 -7.758 -7.117 -4.303 1.00 1.09 H new ATOM 0 HB3 LEU A 33 -9.271 -7.183 -5.184 1.00 1.09 H new ATOM 0 HG LEU A 33 -6.589 -8.020 -6.340 1.00 1.37 H new ATOM 0 HD11 LEU A 33 -7.441 -10.355 -5.995 1.00 1.76 H new ATOM 0 HD12 LEU A 33 -7.286 -9.484 -4.451 1.00 1.76 H new ATOM 0 HD13 LEU A 33 -8.888 -9.693 -5.197 1.00 1.76 H new ATOM 0 HD21 LEU A 33 -7.915 -9.144 -8.084 1.00 1.90 H new ATOM 0 HD22 LEU A 33 -9.405 -8.480 -7.374 1.00 1.90 H new ATOM 0 HD23 LEU A 33 -8.187 -7.385 -8.070 1.00 1.90 H new ATOM 502 N TYR A 34 -7.718 -4.196 -3.942 1.00 1.05 N ATOM 503 CA TYR A 34 -8.114 -3.109 -3.061 1.00 1.10 C ATOM 504 C TYR A 34 -6.894 -2.482 -2.393 1.00 1.01 C ATOM 505 O TYR A 34 -5.856 -3.127 -2.248 1.00 0.94 O ATOM 506 CB TYR A 34 -9.091 -3.623 -1.994 1.00 1.14 C ATOM 507 CG TYR A 34 -9.777 -2.538 -1.192 1.00 1.30 C ATOM 508 CD1 TYR A 34 -10.640 -1.633 -1.835 1.00 2.55 C ATOM 509 CD2 TYR A 34 -9.557 -2.435 0.194 1.00 1.51 C ATOM 510 CE1 TYR A 34 -11.273 -0.619 -1.095 1.00 2.75 C ATOM 511 CE2 TYR A 34 -10.226 -1.451 0.938 1.00 1.53 C ATOM 512 CZ TYR A 34 -11.071 -0.533 0.291 1.00 1.70 C ATOM 513 OH TYR A 34 -11.711 0.422 1.024 1.00 1.95 O ATOM 0 H TYR A 34 -6.840 -4.644 -3.680 1.00 1.05 H new ATOM 0 HA TYR A 34 -8.610 -2.345 -3.660 1.00 1.10 H new ATOM 0 HB2 TYR A 34 -9.852 -4.233 -2.481 1.00 1.14 H new ATOM 0 HB3 TYR A 34 -8.550 -4.276 -1.309 1.00 1.14 H new ATOM 0 HD1 TYR A 34 -10.817 -1.717 -2.897 1.00 2.55 H new ATOM 0 HD2 TYR A 34 -8.874 -3.113 0.685 1.00 1.51 H new ATOM 0 HE1 TYR A 34 -11.914 0.093 -1.593 1.00 2.75 H new ATOM 0 HE2 TYR A 34 -10.091 -1.399 2.008 1.00 1.53 H new ATOM 0 HH TYR A 34 -11.457 0.336 1.966 1.00 1.95 H new ATOM 523 N CYS A 35 -7.054 -1.230 -1.966 1.00 1.01 N ATOM 524 CA CYS A 35 -6.153 -0.508 -1.087 1.00 0.86 C ATOM 525 C CYS A 35 -7.039 0.275 -0.128 1.00 1.05 C ATOM 526 O CYS A 35 -8.007 0.881 -0.587 1.00 1.51 O ATOM 527 CB CYS A 35 -5.282 0.453 -1.896 1.00 0.89 C ATOM 528 SG CYS A 35 -4.289 1.410 -0.725 1.00 2.22 S ATOM 0 H CYS A 35 -7.859 -0.668 -2.242 1.00 1.01 H new ATOM 0 HA CYS A 35 -5.487 -1.187 -0.555 1.00 0.86 H new ATOM 0 HB2 CYS A 35 -4.639 -0.098 -2.582 1.00 0.89 H new ATOM 0 HB3 CYS A 35 -5.902 1.114 -2.502 1.00 0.89 H new ATOM 0 HG CYS A 35 -3.691 2.379 -1.353 1.00 2.22 H new ATOM 534 N SER A 36 -6.740 0.279 1.174 1.00 0.91 N ATOM 535 CA SER A 36 -7.162 1.383 2.022 1.00 1.32 C ATOM 536 C SER A 36 -6.148 1.612 3.133 1.00 0.95 C ATOM 537 O SER A 36 -5.527 0.659 3.599 1.00 1.18 O ATOM 538 CB SER A 36 -8.593 1.222 2.537 1.00 2.17 C ATOM 539 OG SER A 36 -8.968 2.346 3.312 1.00 2.84 O ATOM 0 H SER A 36 -6.218 -0.456 1.651 1.00 0.91 H new ATOM 0 HA SER A 36 -7.188 2.285 1.410 1.00 1.32 H new ATOM 0 HB2 SER A 36 -9.278 1.107 1.697 1.00 2.17 H new ATOM 0 HB3 SER A 36 -8.670 0.316 3.138 1.00 2.17 H new ATOM 0 HG SER A 36 -8.482 3.137 2.998 1.00 2.84 H new ATOM 545 N VAL A 37 -5.939 2.872 3.515 1.00 0.78 N ATOM 546 CA VAL A 37 -4.849 3.287 4.386 1.00 0.73 C ATOM 547 C VAL A 37 -5.367 3.788 5.734 1.00 0.87 C ATOM 548 O VAL A 37 -6.561 4.031 5.897 1.00 1.12 O ATOM 549 CB VAL A 37 -3.977 4.332 3.666 1.00 0.93 C ATOM 550 CG1 VAL A 37 -3.227 3.727 2.478 1.00 1.15 C ATOM 551 CG2 VAL A 37 -4.810 5.496 3.140 1.00 2.04 C ATOM 0 H VAL A 37 -6.536 3.644 3.220 1.00 0.78 H new ATOM 0 HA VAL A 37 -4.224 2.422 4.607 1.00 0.73 H new ATOM 0 HB VAL A 37 -3.267 4.687 4.413 1.00 0.93 H new ATOM 0 HG11 VAL A 37 -2.624 4.498 1.998 1.00 1.15 H new ATOM 0 HG12 VAL A 37 -2.578 2.924 2.828 1.00 1.15 H new ATOM 0 HG13 VAL A 37 -3.944 3.328 1.760 1.00 1.15 H new ATOM 0 HG21 VAL A 37 -4.159 6.212 2.639 1.00 2.04 H new ATOM 0 HG22 VAL A 37 -5.551 5.123 2.433 1.00 2.04 H new ATOM 0 HG23 VAL A 37 -5.316 5.986 3.972 1.00 2.04 H new ATOM 561 N ALA A 38 -4.471 3.937 6.717 1.00 0.83 N ATOM 562 CA ALA A 38 -4.804 4.588 7.980 1.00 1.07 C ATOM 563 C ALA A 38 -3.628 5.397 8.502 1.00 1.03 C ATOM 564 O ALA A 38 -2.482 4.949 8.439 1.00 0.77 O ATOM 565 CB ALA A 38 -5.249 3.578 9.035 1.00 1.12 C ATOM 0 H ALA A 38 -3.506 3.612 6.657 1.00 0.83 H new ATOM 0 HA ALA A 38 -5.637 5.262 7.782 1.00 1.07 H new ATOM 0 HB1 ALA A 38 -5.488 4.101 9.961 1.00 1.12 H new ATOM 0 HB2 ALA A 38 -6.132 3.046 8.680 1.00 1.12 H new ATOM 0 HB3 ALA A 38 -4.445 2.865 9.218 1.00 1.12 H new ATOM 571 N LEU A 39 -3.948 6.575 9.039 1.00 1.53 N ATOM 572 CA LEU A 39 -3.005 7.575 9.503 1.00 1.50 C ATOM 573 C LEU A 39 -2.341 7.102 10.789 1.00 0.92 C ATOM 574 O LEU A 39 -1.132 6.899 10.815 1.00 0.96 O ATOM 575 CB LEU A 39 -3.708 8.922 9.736 1.00 2.45 C ATOM 576 CG LEU A 39 -4.376 9.484 8.471 1.00 1.80 C ATOM 577 CD1 LEU A 39 -5.896 9.270 8.476 1.00 3.56 C ATOM 578 CD2 LEU A 39 -4.089 10.986 8.365 1.00 1.94 C ATOM 0 H LEU A 39 -4.918 6.864 9.165 1.00 1.53 H new ATOM 0 HA LEU A 39 -2.244 7.715 8.736 1.00 1.50 H new ATOM 0 HB2 LEU A 39 -4.462 8.801 10.514 1.00 2.45 H new ATOM 0 HB3 LEU A 39 -2.981 9.645 10.106 1.00 2.45 H new ATOM 0 HG LEU A 39 -3.961 8.949 7.617 1.00 1.80 H new ATOM 0 HD11 LEU A 39 -6.325 9.683 7.563 1.00 3.56 H new ATOM 0 HD12 LEU A 39 -6.113 8.203 8.528 1.00 3.56 H new ATOM 0 HD13 LEU A 39 -6.331 9.772 9.340 1.00 3.56 H new ATOM 0 HD21 LEU A 39 -4.563 11.385 7.468 1.00 1.94 H new ATOM 0 HD22 LEU A 39 -4.487 11.495 9.242 1.00 1.94 H new ATOM 0 HD23 LEU A 39 -3.013 11.148 8.309 1.00 1.94 H new ATOM 590 N ALA A 40 -3.134 6.919 11.851 1.00 1.14 N ATOM 591 CA ALA A 40 -2.639 6.655 13.198 1.00 1.30 C ATOM 592 C ALA A 40 -1.743 5.419 13.223 1.00 1.14 C ATOM 593 O ALA A 40 -0.654 5.442 13.794 1.00 1.58 O ATOM 594 CB ALA A 40 -3.822 6.496 14.158 1.00 1.98 C ATOM 0 H ALA A 40 -4.152 6.952 11.793 1.00 1.14 H new ATOM 0 HA ALA A 40 -2.033 7.501 13.522 1.00 1.30 H new ATOM 0 HB1 ALA A 40 -3.451 6.299 15.164 1.00 1.98 H new ATOM 0 HB2 ALA A 40 -4.413 7.412 14.162 1.00 1.98 H new ATOM 0 HB3 ALA A 40 -4.446 5.664 13.832 1.00 1.98 H new ATOM 600 N THR A 41 -2.198 4.350 12.567 1.00 0.91 N ATOM 601 CA THR A 41 -1.480 3.095 12.473 1.00 0.84 C ATOM 602 C THR A 41 -0.362 3.183 11.429 1.00 0.75 C ATOM 603 O THR A 41 0.525 2.335 11.416 1.00 1.08 O ATOM 604 CB THR A 41 -2.487 2.010 12.075 1.00 0.89 C ATOM 605 OG1 THR A 41 -3.781 2.338 12.550 1.00 1.77 O ATOM 606 CG2 THR A 41 -2.076 0.636 12.614 1.00 1.58 C ATOM 0 H THR A 41 -3.094 4.341 12.080 1.00 0.91 H new ATOM 0 HA THR A 41 -1.018 2.859 13.431 1.00 0.84 H new ATOM 0 HB THR A 41 -2.501 1.961 10.986 1.00 0.89 H new ATOM 0 HG1 THR A 41 -4.413 1.637 12.287 1.00 1.77 H new ATOM 0 HG21 THR A 41 -2.813 -0.108 12.313 1.00 1.58 H new ATOM 0 HG22 THR A 41 -1.100 0.364 12.212 1.00 1.58 H new ATOM 0 HG23 THR A 41 -2.022 0.673 13.702 1.00 1.58 H new ATOM 614 N ASN A 42 -0.413 4.190 10.547 1.00 0.62 N ATOM 615 CA ASN A 42 0.529 4.396 9.454 1.00 0.70 C ATOM 616 C ASN A 42 0.559 3.117 8.620 1.00 0.76 C ATOM 617 O ASN A 42 1.569 2.424 8.559 1.00 0.97 O ATOM 618 CB ASN A 42 1.918 4.906 9.923 1.00 0.85 C ATOM 619 CG ASN A 42 2.025 5.201 11.419 1.00 1.27 C ATOM 620 OD1 ASN A 42 2.799 4.569 12.136 1.00 2.24 O ATOM 621 ND2 ASN A 42 1.233 6.147 11.908 1.00 1.98 N ATOM 0 H ASN A 42 -1.139 4.905 10.582 1.00 0.62 H new ATOM 0 HA ASN A 42 0.192 5.214 8.818 1.00 0.70 H new ATOM 0 HB2 ASN A 42 2.670 4.162 9.660 1.00 0.85 H new ATOM 0 HB3 ASN A 42 2.161 5.814 9.370 1.00 0.85 H new ATOM 0 HD21 ASN A 42 1.256 6.367 12.904 1.00 1.98 H new ATOM 0 HD22 ASN A 42 0.601 6.654 11.288 1.00 1.98 H new ATOM 628 N LYS A 43 -0.587 2.762 8.023 1.00 0.70 N ATOM 629 CA LYS A 43 -0.763 1.466 7.382 1.00 0.75 C ATOM 630 C LYS A 43 -1.425 1.589 6.025 1.00 0.68 C ATOM 631 O LYS A 43 -2.122 2.570 5.764 1.00 0.71 O ATOM 632 CB LYS A 43 -1.514 0.492 8.301 1.00 0.87 C ATOM 633 CG LYS A 43 -3.031 0.501 8.080 1.00 1.40 C ATOM 634 CD LYS A 43 -3.694 -0.280 9.211 1.00 1.58 C ATOM 635 CE LYS A 43 -5.219 -0.252 9.169 1.00 1.56 C ATOM 636 NZ LYS A 43 -5.798 -0.979 8.021 1.00 2.14 N ATOM 0 H LYS A 43 -1.408 3.365 7.975 1.00 0.70 H new ATOM 0 HA LYS A 43 0.229 1.051 7.206 1.00 0.75 H new ATOM 0 HB2 LYS A 43 -1.135 -0.517 8.137 1.00 0.87 H new ATOM 0 HB3 LYS A 43 -1.303 0.747 9.340 1.00 0.87 H new ATOM 0 HG2 LYS A 43 -3.404 1.525 8.059 1.00 1.40 H new ATOM 0 HG3 LYS A 43 -3.275 0.053 7.117 1.00 1.40 H new ATOM 0 HD2 LYS A 43 -3.358 -1.316 9.170 1.00 1.58 H new ATOM 0 HD3 LYS A 43 -3.359 0.126 10.165 1.00 1.58 H new ATOM 0 HE2 LYS A 43 -5.606 -0.683 10.092 1.00 1.56 H new ATOM 0 HE3 LYS A 43 -5.553 0.785 9.136 1.00 1.56 H new ATOM 0 HZ1 LYS A 43 -6.792 -0.700 7.899 1.00 2.14 H new ATOM 0 HZ2 LYS A 43 -5.265 -0.747 7.159 1.00 2.14 H new ATOM 0 HZ3 LYS A 43 -5.745 -2.003 8.196 1.00 2.14 H new ATOM 650 N ALA A 44 -1.259 0.537 5.224 1.00 0.68 N ATOM 651 CA ALA A 44 -1.962 0.312 3.981 1.00 0.65 C ATOM 652 C ALA A 44 -2.375 -1.152 3.918 1.00 0.70 C ATOM 653 O ALA A 44 -1.539 -2.053 3.849 1.00 0.75 O ATOM 654 CB ALA A 44 -1.110 0.734 2.791 1.00 0.65 C ATOM 0 H ALA A 44 -0.599 -0.210 5.442 1.00 0.68 H new ATOM 0 HA ALA A 44 -2.861 0.926 3.938 1.00 0.65 H new ATOM 0 HB1 ALA A 44 -1.661 0.555 1.868 1.00 0.65 H new ATOM 0 HB2 ALA A 44 -0.872 1.795 2.872 1.00 0.65 H new ATOM 0 HB3 ALA A 44 -0.187 0.155 2.781 1.00 0.65 H new ATOM 660 N HIS A 45 -3.687 -1.354 3.975 1.00 0.80 N ATOM 661 CA HIS A 45 -4.379 -2.594 3.730 1.00 0.93 C ATOM 662 C HIS A 45 -4.477 -2.758 2.222 1.00 0.74 C ATOM 663 O HIS A 45 -5.399 -2.233 1.600 1.00 0.92 O ATOM 664 CB HIS A 45 -5.732 -2.533 4.451 1.00 1.31 C ATOM 665 CG HIS A 45 -6.397 -3.872 4.544 1.00 1.36 C ATOM 666 ND1 HIS A 45 -6.585 -4.626 5.678 1.00 1.55 N ATOM 667 CD2 HIS A 45 -6.809 -4.611 3.477 1.00 1.22 C ATOM 668 CE1 HIS A 45 -7.127 -5.794 5.293 1.00 1.52 C ATOM 669 NE2 HIS A 45 -7.282 -5.835 3.957 1.00 1.32 N ATOM 0 H HIS A 45 -4.330 -0.598 4.210 1.00 0.80 H new ATOM 0 HA HIS A 45 -3.863 -3.471 4.120 1.00 0.93 H new ATOM 0 HB2 HIS A 45 -5.587 -2.133 5.455 1.00 1.31 H new ATOM 0 HB3 HIS A 45 -6.389 -1.841 3.924 1.00 1.31 H new ATOM 0 HD1 HIS A 45 -6.356 -4.351 6.633 1.00 1.55 H new ATOM 0 HD2 HIS A 45 -6.776 -4.305 2.442 1.00 1.22 H new ATOM 0 HE1 HIS A 45 -7.401 -6.593 5.966 1.00 1.52 H new ATOM 677 N ILE A 46 -3.506 -3.471 1.651 1.00 0.55 N ATOM 678 CA ILE A 46 -3.480 -3.861 0.256 1.00 0.52 C ATOM 679 C ILE A 46 -4.130 -5.239 0.157 1.00 0.54 C ATOM 680 O ILE A 46 -3.801 -6.136 0.936 1.00 0.81 O ATOM 681 CB ILE A 46 -2.034 -3.949 -0.272 1.00 0.73 C ATOM 682 CG1 ILE A 46 -1.065 -2.875 0.253 1.00 1.59 C ATOM 683 CG2 ILE A 46 -2.049 -3.965 -1.807 1.00 1.31 C ATOM 684 CD1 ILE A 46 -1.536 -1.443 0.018 1.00 1.52 C ATOM 0 H ILE A 46 -2.692 -3.800 2.171 1.00 0.55 H new ATOM 0 HA ILE A 46 -4.011 -3.119 -0.341 1.00 0.52 H new ATOM 0 HB ILE A 46 -1.635 -4.883 0.125 1.00 0.73 H new ATOM 0 HG12 ILE A 46 -0.916 -3.026 1.322 1.00 1.59 H new ATOM 0 HG13 ILE A 46 -0.095 -3.010 -0.226 1.00 1.59 H new ATOM 0 HG21 ILE A 46 -1.027 -4.027 -2.180 1.00 1.31 H new ATOM 0 HG22 ILE A 46 -2.616 -4.828 -2.156 1.00 1.31 H new ATOM 0 HG23 ILE A 46 -2.515 -3.051 -2.176 1.00 1.31 H new ATOM 0 HD11 ILE A 46 -0.798 -0.747 0.417 1.00 1.52 H new ATOM 0 HD12 ILE A 46 -1.657 -1.271 -1.051 1.00 1.52 H new ATOM 0 HD13 ILE A 46 -2.490 -1.287 0.521 1.00 1.52 H new ATOM 696 N LYS A 47 -5.013 -5.421 -0.819 1.00 0.65 N ATOM 697 CA LYS A 47 -5.451 -6.727 -1.277 1.00 0.68 C ATOM 698 C LYS A 47 -5.036 -6.800 -2.743 1.00 0.67 C ATOM 699 O LYS A 47 -5.462 -5.953 -3.532 1.00 0.78 O ATOM 700 CB LYS A 47 -6.974 -6.840 -1.134 1.00 0.91 C ATOM 701 CG LYS A 47 -7.482 -6.753 0.315 1.00 0.93 C ATOM 702 CD LYS A 47 -7.367 -8.083 1.072 1.00 1.19 C ATOM 703 CE LYS A 47 -8.501 -9.054 0.708 1.00 1.76 C ATOM 704 NZ LYS A 47 -8.280 -10.394 1.285 1.00 2.27 N ATOM 0 H LYS A 47 -5.450 -4.648 -1.321 1.00 0.65 H new ATOM 0 HA LYS A 47 -5.013 -7.541 -0.699 1.00 0.68 H new ATOM 0 HB2 LYS A 47 -7.442 -6.048 -1.719 1.00 0.91 H new ATOM 0 HB3 LYS A 47 -7.298 -7.788 -1.564 1.00 0.91 H new ATOM 0 HG2 LYS A 47 -6.916 -5.988 0.847 1.00 0.93 H new ATOM 0 HG3 LYS A 47 -8.524 -6.433 0.310 1.00 0.93 H new ATOM 0 HD2 LYS A 47 -6.407 -8.547 0.846 1.00 1.19 H new ATOM 0 HD3 LYS A 47 -7.384 -7.892 2.145 1.00 1.19 H new ATOM 0 HE2 LYS A 47 -9.450 -8.656 1.067 1.00 1.76 H new ATOM 0 HE3 LYS A 47 -8.578 -9.133 -0.376 1.00 1.76 H new ATOM 0 HZ1 LYS A 47 -9.066 -11.021 1.018 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -7.387 -10.785 0.923 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -8.232 -10.322 2.321 1.00 2.27 H new ATOM 718 N TYR A 48 -4.195 -7.767 -3.113 1.00 0.73 N ATOM 719 CA TYR A 48 -3.801 -7.996 -4.497 1.00 0.77 C ATOM 720 C TYR A 48 -3.688 -9.498 -4.709 1.00 0.61 C ATOM 721 O TYR A 48 -3.480 -10.215 -3.736 1.00 0.68 O ATOM 722 CB TYR A 48 -2.474 -7.292 -4.804 1.00 1.04 C ATOM 723 CG TYR A 48 -1.254 -7.880 -4.120 1.00 1.03 C ATOM 724 CD1 TYR A 48 -0.529 -8.923 -4.729 1.00 1.90 C ATOM 725 CD2 TYR A 48 -0.834 -7.380 -2.875 1.00 1.63 C ATOM 726 CE1 TYR A 48 0.579 -9.488 -4.077 1.00 1.87 C ATOM 727 CE2 TYR A 48 0.299 -7.920 -2.247 1.00 1.83 C ATOM 728 CZ TYR A 48 0.962 -9.016 -2.815 1.00 1.24 C ATOM 729 OH TYR A 48 1.947 -9.650 -2.119 1.00 1.35 O ATOM 0 H TYR A 48 -3.767 -8.416 -2.453 1.00 0.73 H new ATOM 0 HA TYR A 48 -4.546 -7.583 -5.177 1.00 0.77 H new ATOM 0 HB2 TYR A 48 -2.311 -7.313 -5.882 1.00 1.04 H new ATOM 0 HB3 TYR A 48 -2.562 -6.245 -4.516 1.00 1.04 H new ATOM 0 HD1 TYR A 48 -0.826 -9.289 -5.701 1.00 1.90 H new ATOM 0 HD2 TYR A 48 -1.384 -6.580 -2.402 1.00 1.63 H new ATOM 0 HE1 TYR A 48 1.135 -10.285 -4.548 1.00 1.87 H new ATOM 0 HE2 TYR A 48 0.660 -7.490 -1.325 1.00 1.83 H new ATOM 0 HH TYR A 48 2.278 -10.411 -2.640 1.00 1.35 H new ATOM 739 N ASP A 49 -3.813 -9.979 -5.947 1.00 0.72 N ATOM 740 CA ASP A 49 -3.645 -11.403 -6.220 1.00 0.86 C ATOM 741 C ASP A 49 -2.165 -11.687 -6.523 1.00 0.96 C ATOM 742 O ASP A 49 -1.650 -11.136 -7.502 1.00 1.22 O ATOM 743 CB ASP A 49 -4.592 -11.851 -7.341 1.00 1.25 C ATOM 744 CG ASP A 49 -4.539 -13.357 -7.544 1.00 2.29 C ATOM 745 OD1 ASP A 49 -3.507 -13.981 -7.220 1.00 3.34 O ATOM 746 OD2 ASP A 49 -5.547 -13.956 -7.979 1.00 3.21 O ATOM 0 H ASP A 49 -4.027 -9.410 -6.766 1.00 0.72 H new ATOM 0 HA ASP A 49 -3.917 -11.993 -5.345 1.00 0.86 H new ATOM 0 HB2 ASP A 49 -5.612 -11.551 -7.100 1.00 1.25 H new ATOM 0 HB3 ASP A 49 -4.323 -11.348 -8.270 1.00 1.25 H new ATOM 751 N PRO A 50 -1.460 -12.490 -5.697 1.00 0.91 N ATOM 752 CA PRO A 50 -0.040 -12.777 -5.848 1.00 1.05 C ATOM 753 C PRO A 50 0.209 -13.698 -7.047 1.00 1.60 C ATOM 754 O PRO A 50 0.581 -14.860 -6.900 1.00 2.89 O ATOM 755 CB PRO A 50 0.394 -13.395 -4.513 1.00 0.97 C ATOM 756 CG PRO A 50 -0.868 -14.126 -4.062 1.00 1.20 C ATOM 757 CD PRO A 50 -1.978 -13.183 -4.523 1.00 1.03 C ATOM 0 HA PRO A 50 0.546 -11.883 -6.060 1.00 1.05 H new ATOM 0 HB2 PRO A 50 1.236 -14.076 -4.636 1.00 0.97 H new ATOM 0 HB3 PRO A 50 0.701 -12.635 -3.795 1.00 0.97 H new ATOM 0 HG2 PRO A 50 -0.954 -15.110 -4.523 1.00 1.20 H new ATOM 0 HG3 PRO A 50 -0.886 -14.277 -2.983 1.00 1.20 H new ATOM 0 HD2 PRO A 50 -2.884 -13.738 -4.766 1.00 1.03 H new ATOM 0 HD3 PRO A 50 -2.239 -12.475 -3.736 1.00 1.03 H new ATOM 765 N GLU A 51 0.010 -13.140 -8.238 1.00 0.91 N ATOM 766 CA GLU A 51 0.087 -13.784 -9.526 1.00 1.20 C ATOM 767 C GLU A 51 0.241 -12.672 -10.564 1.00 1.17 C ATOM 768 O GLU A 51 1.202 -12.646 -11.329 1.00 1.61 O ATOM 769 CB GLU A 51 -1.192 -14.611 -9.720 1.00 1.46 C ATOM 770 CG GLU A 51 -1.255 -15.207 -11.125 1.00 2.10 C ATOM 771 CD GLU A 51 -2.333 -16.275 -11.271 1.00 2.34 C ATOM 772 OE1 GLU A 51 -3.304 -16.226 -10.481 1.00 2.82 O ATOM 773 OE2 GLU A 51 -2.163 -17.138 -12.155 1.00 3.05 O ATOM 0 H GLU A 51 -0.226 -12.151 -8.323 1.00 0.91 H new ATOM 0 HA GLU A 51 0.931 -14.467 -9.620 1.00 1.20 H new ATOM 0 HB2 GLU A 51 -1.227 -15.411 -8.981 1.00 1.46 H new ATOM 0 HB3 GLU A 51 -2.065 -13.981 -9.550 1.00 1.46 H new ATOM 0 HG2 GLU A 51 -1.442 -14.409 -11.844 1.00 2.10 H new ATOM 0 HG3 GLU A 51 -0.286 -15.640 -11.374 1.00 2.10 H new ATOM 780 N ILE A 52 -0.703 -11.728 -10.554 1.00 0.96 N ATOM 781 CA ILE A 52 -0.758 -10.623 -11.503 1.00 1.05 C ATOM 782 C ILE A 52 0.038 -9.398 -11.031 1.00 1.00 C ATOM 783 O ILE A 52 0.260 -8.480 -11.819 1.00 1.13 O ATOM 784 CB ILE A 52 -2.224 -10.283 -11.832 1.00 1.16 C ATOM 785 CG1 ILE A 52 -3.012 -9.898 -10.570 1.00 2.21 C ATOM 786 CG2 ILE A 52 -2.885 -11.470 -12.549 1.00 3.28 C ATOM 787 CD1 ILE A 52 -4.431 -9.407 -10.882 1.00 3.18 C ATOM 0 H ILE A 52 -1.462 -11.713 -9.873 1.00 0.96 H new ATOM 0 HA ILE A 52 -0.270 -10.945 -12.423 1.00 1.05 H new ATOM 0 HB ILE A 52 -2.234 -9.417 -12.494 1.00 1.16 H new ATOM 0 HG12 ILE A 52 -3.069 -10.760 -9.906 1.00 2.21 H new ATOM 0 HG13 ILE A 52 -2.472 -9.117 -10.034 1.00 2.21 H new ATOM 0 HG21 ILE A 52 -3.922 -11.224 -12.779 1.00 3.28 H new ATOM 0 HG22 ILE A 52 -2.348 -11.681 -13.474 1.00 3.28 H new ATOM 0 HG23 ILE A 52 -2.855 -12.348 -11.903 1.00 3.28 H new ATOM 0 HD11 ILE A 52 -4.939 -9.150 -9.953 1.00 3.18 H new ATOM 0 HD12 ILE A 52 -4.379 -8.527 -11.523 1.00 3.18 H new ATOM 0 HD13 ILE A 52 -4.985 -10.195 -11.392 1.00 3.18 H new ATOM 799 N ILE A 53 0.480 -9.369 -9.771 1.00 1.03 N ATOM 800 CA ILE A 53 1.382 -8.372 -9.228 1.00 1.14 C ATOM 801 C ILE A 53 2.012 -9.032 -8.000 1.00 1.12 C ATOM 802 O ILE A 53 1.429 -9.971 -7.454 1.00 1.68 O ATOM 803 CB ILE A 53 0.613 -7.070 -8.909 1.00 1.16 C ATOM 804 CG1 ILE A 53 1.566 -5.871 -8.872 1.00 1.66 C ATOM 805 CG2 ILE A 53 -0.160 -7.166 -7.591 1.00 1.32 C ATOM 806 CD1 ILE A 53 0.835 -4.524 -8.876 1.00 0.90 C ATOM 0 H ILE A 53 0.204 -10.069 -9.082 1.00 1.03 H new ATOM 0 HA ILE A 53 2.161 -8.068 -9.927 1.00 1.14 H new ATOM 0 HB ILE A 53 -0.112 -6.925 -9.710 1.00 1.16 H new ATOM 0 HG12 ILE A 53 2.189 -5.937 -7.980 1.00 1.66 H new ATOM 0 HG13 ILE A 53 2.234 -5.918 -9.732 1.00 1.66 H new ATOM 0 HG21 ILE A 53 -0.685 -6.228 -7.408 1.00 1.32 H new ATOM 0 HG22 ILE A 53 -0.882 -7.980 -7.651 1.00 1.32 H new ATOM 0 HG23 ILE A 53 0.536 -7.358 -6.774 1.00 1.32 H new ATOM 0 HD11 ILE A 53 1.564 -3.714 -8.849 1.00 0.90 H new ATOM 0 HD12 ILE A 53 0.233 -4.440 -9.780 1.00 0.90 H new ATOM 0 HD13 ILE A 53 0.188 -4.459 -8.002 1.00 0.90 H new ATOM 818 N GLY A 54 3.191 -8.582 -7.581 1.00 0.91 N ATOM 819 CA GLY A 54 3.835 -9.026 -6.356 1.00 0.99 C ATOM 820 C GLY A 54 3.642 -7.969 -5.269 1.00 0.92 C ATOM 821 O GLY A 54 3.012 -6.941 -5.501 1.00 1.11 O ATOM 0 H GLY A 54 3.732 -7.887 -8.094 1.00 0.91 H new ATOM 0 HA2 GLY A 54 3.411 -9.977 -6.033 1.00 0.99 H new ATOM 0 HA3 GLY A 54 4.898 -9.194 -6.531 1.00 0.99 H new ATOM 825 N PRO A 55 4.191 -8.187 -4.066 1.00 0.82 N ATOM 826 CA PRO A 55 4.210 -7.164 -3.035 1.00 0.81 C ATOM 827 C PRO A 55 5.129 -6.016 -3.467 1.00 0.72 C ATOM 828 O PRO A 55 4.828 -4.842 -3.246 1.00 0.77 O ATOM 829 CB PRO A 55 4.734 -7.871 -1.779 1.00 0.95 C ATOM 830 CG PRO A 55 5.581 -9.025 -2.323 1.00 0.97 C ATOM 831 CD PRO A 55 4.912 -9.380 -3.655 1.00 0.90 C ATOM 0 HA PRO A 55 3.229 -6.724 -2.853 1.00 0.81 H new ATOM 0 HB2 PRO A 55 5.328 -7.197 -1.162 1.00 0.95 H new ATOM 0 HB3 PRO A 55 3.917 -8.236 -1.157 1.00 0.95 H new ATOM 0 HG2 PRO A 55 6.619 -8.726 -2.465 1.00 0.97 H new ATOM 0 HG3 PRO A 55 5.585 -9.874 -1.639 1.00 0.97 H new ATOM 0 HD2 PRO A 55 5.654 -9.665 -4.401 1.00 0.90 H new ATOM 0 HD3 PRO A 55 4.234 -10.226 -3.539 1.00 0.90 H new ATOM 839 N ARG A 56 6.272 -6.376 -4.067 1.00 0.69 N ATOM 840 CA ARG A 56 7.342 -5.446 -4.385 1.00 0.73 C ATOM 841 C ARG A 56 6.832 -4.296 -5.235 1.00 0.64 C ATOM 842 O ARG A 56 7.291 -3.178 -5.026 1.00 0.69 O ATOM 843 CB ARG A 56 8.548 -6.160 -5.023 1.00 0.91 C ATOM 844 CG ARG A 56 9.844 -5.328 -4.930 1.00 1.66 C ATOM 845 CD ARG A 56 10.062 -4.346 -6.098 1.00 2.66 C ATOM 846 NE ARG A 56 11.065 -3.310 -5.781 1.00 3.60 N ATOM 847 CZ ARG A 56 10.864 -2.234 -4.996 1.00 4.75 C ATOM 848 NH1 ARG A 56 9.711 -2.084 -4.345 1.00 5.57 N ATOM 849 NH2 ARG A 56 11.809 -1.297 -4.869 1.00 5.72 N ATOM 0 H ARG A 56 6.473 -7.337 -4.345 1.00 0.69 H new ATOM 0 HA ARG A 56 7.700 -5.017 -3.449 1.00 0.73 H new ATOM 0 HB2 ARG A 56 8.700 -7.120 -4.530 1.00 0.91 H new ATOM 0 HB3 ARG A 56 8.329 -6.370 -6.070 1.00 0.91 H new ATOM 0 HG2 ARG A 56 9.832 -4.765 -3.997 1.00 1.66 H new ATOM 0 HG3 ARG A 56 10.694 -6.008 -4.881 1.00 1.66 H new ATOM 0 HD2 ARG A 56 10.382 -4.900 -6.980 1.00 2.66 H new ATOM 0 HD3 ARG A 56 9.115 -3.867 -6.348 1.00 2.66 H new ATOM 0 HE ARG A 56 11.992 -3.419 -6.193 1.00 3.60 H new ATOM 0 HH11 ARG A 56 8.977 -2.785 -4.440 1.00 5.57 H new ATOM 0 HH12 ARG A 56 9.563 -1.268 -3.752 1.00 5.57 H new ATOM 0 HH21 ARG A 56 12.693 -1.393 -5.369 1.00 5.72 H new ATOM 0 HH22 ARG A 56 11.646 -0.486 -4.272 1.00 5.72 H new ATOM 863 N ASP A 57 5.924 -4.549 -6.180 1.00 0.57 N ATOM 864 CA ASP A 57 5.401 -3.533 -7.078 1.00 0.55 C ATOM 865 C ASP A 57 4.637 -2.468 -6.287 1.00 0.48 C ATOM 866 O ASP A 57 4.872 -1.269 -6.437 1.00 0.51 O ATOM 867 CB ASP A 57 4.469 -4.170 -8.115 1.00 0.60 C ATOM 868 CG ASP A 57 4.968 -5.503 -8.656 1.00 1.30 C ATOM 869 OD1 ASP A 57 4.908 -6.478 -7.870 1.00 2.46 O ATOM 870 OD2 ASP A 57 5.396 -5.527 -9.826 1.00 1.98 O ATOM 0 H ASP A 57 5.531 -5.477 -6.340 1.00 0.57 H new ATOM 0 HA ASP A 57 6.239 -3.063 -7.592 1.00 0.55 H new ATOM 0 HB2 ASP A 57 3.487 -4.316 -7.665 1.00 0.60 H new ATOM 0 HB3 ASP A 57 4.339 -3.477 -8.946 1.00 0.60 H new ATOM 875 N ILE A 58 3.709 -2.895 -5.425 1.00 0.46 N ATOM 876 CA ILE A 58 2.949 -1.962 -4.606 1.00 0.48 C ATOM 877 C ILE A 58 3.929 -1.188 -3.732 1.00 0.46 C ATOM 878 O ILE A 58 3.888 0.040 -3.670 1.00 0.43 O ATOM 879 CB ILE A 58 1.875 -2.671 -3.762 1.00 0.67 C ATOM 880 CG1 ILE A 58 0.785 -3.297 -4.647 1.00 0.69 C ATOM 881 CG2 ILE A 58 1.191 -1.640 -2.853 1.00 1.00 C ATOM 882 CD1 ILE A 58 1.108 -4.726 -5.073 1.00 1.56 C ATOM 0 H ILE A 58 3.471 -3.876 -5.281 1.00 0.46 H new ATOM 0 HA ILE A 58 2.407 -1.273 -5.254 1.00 0.48 H new ATOM 0 HB ILE A 58 2.369 -3.455 -3.187 1.00 0.67 H new ATOM 0 HG12 ILE A 58 -0.162 -3.290 -4.107 1.00 0.69 H new ATOM 0 HG13 ILE A 58 0.649 -2.681 -5.536 1.00 0.69 H new ATOM 0 HG21 ILE A 58 0.428 -2.135 -2.251 1.00 1.00 H new ATOM 0 HG22 ILE A 58 1.933 -1.185 -2.196 1.00 1.00 H new ATOM 0 HG23 ILE A 58 0.726 -0.867 -3.465 1.00 1.00 H new ATOM 0 HD11 ILE A 58 0.300 -5.112 -5.695 1.00 1.56 H new ATOM 0 HD12 ILE A 58 2.039 -4.735 -5.640 1.00 1.56 H new ATOM 0 HD13 ILE A 58 1.216 -5.354 -4.188 1.00 1.56 H new ATOM 894 N ILE A 59 4.846 -1.910 -3.091 1.00 0.56 N ATOM 895 CA ILE A 59 5.888 -1.287 -2.293 1.00 0.66 C ATOM 896 C ILE A 59 6.682 -0.260 -3.127 1.00 0.64 C ATOM 897 O ILE A 59 6.906 0.861 -2.679 1.00 0.72 O ATOM 898 CB ILE A 59 6.716 -2.403 -1.641 1.00 0.89 C ATOM 899 CG1 ILE A 59 5.875 -3.089 -0.550 1.00 1.02 C ATOM 900 CG2 ILE A 59 8.015 -1.859 -1.058 1.00 1.01 C ATOM 901 CD1 ILE A 59 6.416 -4.478 -0.209 1.00 1.39 C ATOM 0 H ILE A 59 4.884 -2.929 -3.112 1.00 0.56 H new ATOM 0 HA ILE A 59 5.477 -0.688 -1.481 1.00 0.66 H new ATOM 0 HB ILE A 59 6.984 -3.134 -2.404 1.00 0.89 H new ATOM 0 HG12 ILE A 59 5.869 -2.470 0.347 1.00 1.02 H new ATOM 0 HG13 ILE A 59 4.842 -3.173 -0.886 1.00 1.02 H new ATOM 0 HG21 ILE A 59 8.579 -2.673 -0.603 1.00 1.01 H new ATOM 0 HG22 ILE A 59 8.608 -1.406 -1.852 1.00 1.01 H new ATOM 0 HG23 ILE A 59 7.788 -1.108 -0.301 1.00 1.01 H new ATOM 0 HD11 ILE A 59 5.796 -4.930 0.565 1.00 1.39 H new ATOM 0 HD12 ILE A 59 6.398 -5.105 -1.101 1.00 1.39 H new ATOM 0 HD13 ILE A 59 7.441 -4.391 0.152 1.00 1.39 H new ATOM 913 N HIS A 60 7.042 -0.585 -4.372 1.00 0.62 N ATOM 914 CA HIS A 60 7.727 0.343 -5.265 1.00 0.69 C ATOM 915 C HIS A 60 6.825 1.520 -5.629 1.00 0.58 C ATOM 916 O HIS A 60 7.316 2.620 -5.845 1.00 0.60 O ATOM 917 CB HIS A 60 8.325 -0.363 -6.496 1.00 0.89 C ATOM 918 CG HIS A 60 8.008 0.289 -7.812 1.00 1.66 C ATOM 919 ND1 HIS A 60 8.606 1.410 -8.340 1.00 3.08 N ATOM 920 CD2 HIS A 60 6.951 -0.039 -8.612 1.00 3.58 C ATOM 921 CE1 HIS A 60 7.923 1.740 -9.450 1.00 4.52 C ATOM 922 NE2 HIS A 60 6.905 0.888 -9.657 1.00 5.04 N ATOM 0 H HIS A 60 6.865 -1.500 -4.786 1.00 0.62 H new ATOM 0 HA HIS A 60 8.580 0.754 -4.725 1.00 0.69 H new ATOM 0 HB2 HIS A 60 9.408 -0.409 -6.381 1.00 0.89 H new ATOM 0 HB3 HIS A 60 7.963 -1.391 -6.519 1.00 0.89 H new ATOM 0 HD2 HIS A 60 6.273 -0.866 -8.464 1.00 3.58 H new ATOM 0 HE1 HIS A 60 8.161 2.577 -10.089 1.00 4.52 H new ATOM 0 HE2 HIS A 60 6.233 0.913 -10.424 1.00 5.04 H new ATOM 930 N THR A 61 5.512 1.315 -5.712 1.00 0.52 N ATOM 931 CA THR A 61 4.592 2.417 -5.940 1.00 0.52 C ATOM 932 C THR A 61 4.672 3.370 -4.739 1.00 0.53 C ATOM 933 O THR A 61 4.846 4.577 -4.901 1.00 0.61 O ATOM 934 CB THR A 61 3.176 1.879 -6.202 1.00 0.54 C ATOM 935 OG1 THR A 61 3.218 0.883 -7.208 1.00 0.76 O ATOM 936 CG2 THR A 61 2.246 2.993 -6.687 1.00 0.68 C ATOM 0 H THR A 61 5.068 0.401 -5.625 1.00 0.52 H new ATOM 0 HA THR A 61 4.866 2.982 -6.831 1.00 0.52 H new ATOM 0 HB THR A 61 2.801 1.469 -5.264 1.00 0.54 H new ATOM 0 HG1 THR A 61 3.664 0.084 -6.858 1.00 0.76 H new ATOM 0 HG21 THR A 61 1.251 2.585 -6.865 1.00 0.68 H new ATOM 0 HG22 THR A 61 2.188 3.774 -5.929 1.00 0.68 H new ATOM 0 HG23 THR A 61 2.636 3.415 -7.613 1.00 0.68 H new ATOM 944 N ILE A 62 4.598 2.810 -3.531 1.00 0.51 N ATOM 945 CA ILE A 62 4.751 3.536 -2.275 1.00 0.60 C ATOM 946 C ILE A 62 6.084 4.318 -2.262 1.00 0.69 C ATOM 947 O ILE A 62 6.079 5.513 -1.953 1.00 0.82 O ATOM 948 CB ILE A 62 4.529 2.542 -1.111 1.00 0.57 C ATOM 949 CG1 ILE A 62 3.039 2.155 -1.051 1.00 0.58 C ATOM 950 CG2 ILE A 62 4.946 3.095 0.256 1.00 0.68 C ATOM 951 CD1 ILE A 62 2.784 0.886 -0.232 1.00 1.44 C ATOM 0 H ILE A 62 4.426 1.813 -3.398 1.00 0.51 H new ATOM 0 HA ILE A 62 3.998 4.314 -2.152 1.00 0.60 H new ATOM 0 HB ILE A 62 5.162 1.679 -1.316 1.00 0.57 H new ATOM 0 HG12 ILE A 62 2.472 2.980 -0.619 1.00 0.58 H new ATOM 0 HG13 ILE A 62 2.666 2.008 -2.065 1.00 0.58 H new ATOM 0 HG21 ILE A 62 4.762 2.344 1.024 1.00 0.68 H new ATOM 0 HG22 ILE A 62 6.007 3.344 0.239 1.00 0.68 H new ATOM 0 HG23 ILE A 62 4.366 3.991 0.478 1.00 0.68 H new ATOM 0 HD11 ILE A 62 1.717 0.665 -0.227 1.00 1.44 H new ATOM 0 HD12 ILE A 62 3.325 0.051 -0.677 1.00 1.44 H new ATOM 0 HD13 ILE A 62 3.128 1.038 0.791 1.00 1.44 H new ATOM 963 N GLU A 63 7.196 3.683 -2.664 1.00 0.63 N ATOM 964 CA GLU A 63 8.475 4.371 -2.868 1.00 0.71 C ATOM 965 C GLU A 63 8.305 5.532 -3.857 1.00 0.60 C ATOM 966 O GLU A 63 8.671 6.671 -3.571 1.00 0.67 O ATOM 967 CB GLU A 63 9.547 3.392 -3.390 1.00 0.85 C ATOM 968 CG GLU A 63 9.938 2.290 -2.393 1.00 1.04 C ATOM 969 CD GLU A 63 10.567 1.084 -3.084 1.00 1.19 C ATOM 970 OE1 GLU A 63 11.389 1.240 -4.011 1.00 2.02 O ATOM 971 OE2 GLU A 63 10.185 -0.055 -2.753 1.00 2.06 O ATOM 0 H GLU A 63 7.231 2.682 -2.856 1.00 0.63 H new ATOM 0 HA GLU A 63 8.803 4.766 -1.907 1.00 0.71 H new ATOM 0 HB2 GLU A 63 9.181 2.925 -4.304 1.00 0.85 H new ATOM 0 HB3 GLU A 63 10.440 3.958 -3.656 1.00 0.85 H new ATOM 0 HG2 GLU A 63 10.639 2.695 -1.663 1.00 1.04 H new ATOM 0 HG3 GLU A 63 9.053 1.970 -1.842 1.00 1.04 H new ATOM 978 N SER A 64 7.768 5.217 -5.038 1.00 0.55 N ATOM 979 CA SER A 64 7.662 6.097 -6.194 1.00 0.60 C ATOM 980 C SER A 64 6.907 7.382 -5.859 1.00 0.55 C ATOM 981 O SER A 64 7.272 8.444 -6.356 1.00 0.69 O ATOM 982 CB SER A 64 7.011 5.340 -7.361 1.00 0.71 C ATOM 983 OG SER A 64 7.068 6.086 -8.560 1.00 1.20 O ATOM 0 H SER A 64 7.377 4.293 -5.218 1.00 0.55 H new ATOM 0 HA SER A 64 8.665 6.400 -6.494 1.00 0.60 H new ATOM 0 HB2 SER A 64 7.515 4.384 -7.502 1.00 0.71 H new ATOM 0 HB3 SER A 64 5.972 5.119 -7.118 1.00 0.71 H new ATOM 0 HG SER A 64 6.647 5.576 -9.283 1.00 1.20 H new ATOM 989 N LEU A 65 5.857 7.301 -5.030 1.00 0.52 N ATOM 990 CA LEU A 65 5.215 8.502 -4.512 1.00 0.63 C ATOM 991 C LEU A 65 6.200 9.267 -3.615 1.00 0.80 C ATOM 992 O LEU A 65 6.920 10.138 -4.095 1.00 1.17 O ATOM 993 CB LEU A 65 3.896 8.166 -3.794 1.00 0.70 C ATOM 994 CG LEU A 65 2.650 8.051 -4.691 1.00 0.84 C ATOM 995 CD1 LEU A 65 2.255 9.400 -5.305 1.00 2.42 C ATOM 996 CD2 LEU A 65 2.780 6.998 -5.793 1.00 1.56 C ATOM 0 H LEU A 65 5.443 6.425 -4.711 1.00 0.52 H new ATOM 0 HA LEU A 65 4.946 9.154 -5.343 1.00 0.63 H new ATOM 0 HB2 LEU A 65 4.025 7.223 -3.262 1.00 0.70 H new ATOM 0 HB3 LEU A 65 3.709 8.933 -3.042 1.00 0.70 H new ATOM 0 HG LEU A 65 1.857 7.720 -4.021 1.00 0.84 H new ATOM 0 HD11 LEU A 65 1.371 9.271 -5.930 1.00 2.42 H new ATOM 0 HD12 LEU A 65 2.036 10.112 -4.509 1.00 2.42 H new ATOM 0 HD13 LEU A 65 3.077 9.778 -5.913 1.00 2.42 H new ATOM 0 HD21 LEU A 65 1.864 6.975 -6.384 1.00 1.56 H new ATOM 0 HD22 LEU A 65 3.622 7.249 -6.438 1.00 1.56 H new ATOM 0 HD23 LEU A 65 2.947 6.019 -5.343 1.00 1.56 H new ATOM 1008 N GLY A 66 6.197 9.021 -2.301 1.00 0.75 N ATOM 1009 CA GLY A 66 7.209 9.606 -1.434 1.00 0.94 C ATOM 1010 C GLY A 66 7.339 8.877 -0.103 1.00 0.89 C ATOM 1011 O GLY A 66 7.608 9.530 0.905 1.00 1.06 O ATOM 0 H GLY A 66 5.515 8.430 -1.826 1.00 0.75 H new ATOM 0 HA2 GLY A 66 8.171 9.593 -1.946 1.00 0.94 H new ATOM 0 HA3 GLY A 66 6.961 10.651 -1.248 1.00 0.94 H new ATOM 1015 N PHE A 67 7.072 7.568 -0.057 1.00 0.81 N ATOM 1016 CA PHE A 67 6.750 6.903 1.200 1.00 0.80 C ATOM 1017 C PHE A 67 7.595 5.649 1.399 1.00 0.93 C ATOM 1018 O PHE A 67 8.139 5.093 0.448 1.00 1.19 O ATOM 1019 CB PHE A 67 5.258 6.565 1.196 1.00 0.73 C ATOM 1020 CG PHE A 67 4.340 7.728 0.868 1.00 0.66 C ATOM 1021 CD1 PHE A 67 4.465 8.940 1.569 1.00 1.65 C ATOM 1022 CD2 PHE A 67 3.438 7.636 -0.210 1.00 1.61 C ATOM 1023 CE1 PHE A 67 3.733 10.067 1.166 1.00 1.68 C ATOM 1024 CE2 PHE A 67 2.667 8.751 -0.580 1.00 1.55 C ATOM 1025 CZ PHE A 67 2.835 9.974 0.089 1.00 0.60 C ATOM 0 H PHE A 67 7.073 6.955 -0.872 1.00 0.81 H new ATOM 0 HA PHE A 67 6.977 7.569 2.033 1.00 0.80 H new ATOM 0 HB2 PHE A 67 5.083 5.768 0.473 1.00 0.73 H new ATOM 0 HB3 PHE A 67 4.987 6.172 2.176 1.00 0.73 H new ATOM 0 HD1 PHE A 67 5.126 9.004 2.420 1.00 1.65 H new ATOM 0 HD2 PHE A 67 3.339 6.708 -0.753 1.00 1.61 H new ATOM 0 HE1 PHE A 67 3.860 11.006 1.684 1.00 1.68 H new ATOM 0 HE2 PHE A 67 1.945 8.667 -1.379 1.00 1.55 H new ATOM 0 HZ PHE A 67 2.275 10.843 -0.224 1.00 0.60 H new ATOM 1035 N GLU A 68 7.677 5.199 2.648 1.00 0.86 N ATOM 1036 CA GLU A 68 8.399 4.012 3.073 1.00 0.95 C ATOM 1037 C GLU A 68 7.360 2.927 3.348 1.00 0.94 C ATOM 1038 O GLU A 68 6.226 3.257 3.697 1.00 1.04 O ATOM 1039 CB GLU A 68 9.142 4.330 4.374 1.00 1.17 C ATOM 1040 CG GLU A 68 10.002 5.602 4.334 1.00 1.59 C ATOM 1041 CD GLU A 68 10.413 6.005 5.745 1.00 2.12 C ATOM 1042 OE1 GLU A 68 9.494 6.373 6.512 1.00 3.27 O ATOM 1043 OE2 GLU A 68 11.624 5.922 6.033 1.00 2.44 O ATOM 0 H GLU A 68 7.219 5.677 3.424 1.00 0.86 H new ATOM 0 HA GLU A 68 9.112 3.689 2.314 1.00 0.95 H new ATOM 0 HB2 GLU A 68 8.412 4.428 5.177 1.00 1.17 H new ATOM 0 HB3 GLU A 68 9.782 3.484 4.626 1.00 1.17 H new ATOM 0 HG2 GLU A 68 10.889 5.431 3.724 1.00 1.59 H new ATOM 0 HG3 GLU A 68 9.444 6.412 3.865 1.00 1.59 H new ATOM 1050 N ALA A 69 7.736 1.650 3.244 1.00 0.97 N ATOM 1051 CA ALA A 69 6.863 0.529 3.571 1.00 0.98 C ATOM 1052 C ALA A 69 7.567 -0.423 4.531 1.00 1.07 C ATOM 1053 O ALA A 69 8.792 -0.533 4.515 1.00 1.27 O ATOM 1054 CB ALA A 69 6.472 -0.219 2.294 1.00 1.18 C ATOM 0 H ALA A 69 8.663 1.367 2.927 1.00 0.97 H new ATOM 0 HA ALA A 69 5.963 0.914 4.050 1.00 0.98 H new ATOM 0 HB1 ALA A 69 5.820 -1.055 2.547 1.00 1.18 H new ATOM 0 HB2 ALA A 69 5.948 0.459 1.621 1.00 1.18 H new ATOM 0 HB3 ALA A 69 7.370 -0.595 1.803 1.00 1.18 H new ATOM 1060 N SER A 70 6.794 -1.129 5.358 1.00 1.09 N ATOM 1061 CA SER A 70 7.287 -2.169 6.249 1.00 1.29 C ATOM 1062 C SER A 70 6.159 -3.172 6.485 1.00 1.23 C ATOM 1063 O SER A 70 5.202 -2.880 7.194 1.00 1.34 O ATOM 1064 CB SER A 70 7.793 -1.547 7.559 1.00 1.49 C ATOM 1065 OG SER A 70 8.773 -0.560 7.286 1.00 1.72 O ATOM 0 H SER A 70 5.786 -0.987 5.425 1.00 1.09 H new ATOM 0 HA SER A 70 8.132 -2.692 5.802 1.00 1.29 H new ATOM 0 HB2 SER A 70 6.961 -1.102 8.104 1.00 1.49 H new ATOM 0 HB3 SER A 70 8.215 -2.322 8.199 1.00 1.49 H new ATOM 0 HG SER A 70 9.087 -0.169 8.128 1.00 1.72 H new ATOM 1071 N LEU A 71 6.226 -4.351 5.862 1.00 1.20 N ATOM 1072 CA LEU A 71 5.259 -5.407 6.131 1.00 1.22 C ATOM 1073 C LEU A 71 5.298 -5.786 7.613 1.00 1.37 C ATOM 1074 O LEU A 71 6.378 -6.002 8.161 1.00 1.62 O ATOM 1075 CB LEU A 71 5.458 -6.599 5.179 1.00 1.37 C ATOM 1076 CG LEU A 71 6.694 -7.490 5.416 1.00 1.74 C ATOM 1077 CD1 LEU A 71 6.661 -8.639 4.402 1.00 2.26 C ATOM 1078 CD2 LEU A 71 8.032 -6.752 5.271 1.00 2.50 C ATOM 0 H LEU A 71 6.937 -4.594 5.172 1.00 1.20 H new ATOM 0 HA LEU A 71 4.253 -5.041 5.928 1.00 1.22 H new ATOM 0 HB2 LEU A 71 4.571 -7.229 5.237 1.00 1.37 H new ATOM 0 HB3 LEU A 71 5.509 -6.213 4.161 1.00 1.37 H new ATOM 0 HG LEU A 71 6.639 -7.840 6.447 1.00 1.74 H new ATOM 0 HD11 LEU A 71 7.528 -9.282 4.553 1.00 2.26 H new ATOM 0 HD12 LEU A 71 5.749 -9.220 4.540 1.00 2.26 H new ATOM 0 HD13 LEU A 71 6.682 -8.233 3.391 1.00 2.26 H new ATOM 0 HD21 LEU A 71 8.852 -7.447 5.453 1.00 2.50 H new ATOM 0 HD22 LEU A 71 8.116 -6.346 4.263 1.00 2.50 H new ATOM 0 HD23 LEU A 71 8.079 -5.938 5.994 1.00 2.50 H new