USER MOD reduce.3.24.130724 H: found=0, std=0, add=544, rem=0, adj=11 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 Single : A 2 SER OG : rot 27:sc= 0.153 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 6 TYR OH : rot -78:sc= 0.35 USER MOD Single : A 7 SER OG : rot -115:sc= 1.29 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 167:sc= -0.833 (180deg=-1.16) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 28 GLN : amide:sc= 0.153 X(o=0.15,f=-0.099) USER MOD Single : A 33 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.39) USER MOD Single : A 34 GLN : amide:sc=-0.00201 X(o=-0.002,f=-0.002) USER MOD Single : A 36 GLN : amide:sc= -0.0484 X(o=-0.048,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.78 K(o=0.78,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.01 X(o=-0.01,f=-0.01) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0207 X(o=-0.021,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0132) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 1.15 K(o=1.1,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 0.604 0.700 19.130 1.00 2.54 N ATOM 2 CA SER A 2 0.959 -0.713 19.016 1.00 2.10 C ATOM 3 C SER A 2 0.013 -1.401 18.028 1.00 1.74 C ATOM 4 O SER A 2 -0.656 -2.369 18.378 1.00 2.94 O ATOM 5 CB SER A 2 0.936 -1.379 20.396 1.00 3.40 C ATOM 6 OG SER A 2 1.803 -0.678 21.270 1.00 4.03 O ATOM 0 HA SER A 2 1.974 -0.809 18.630 1.00 2.10 H new ATOM 0 HB2 SER A 2 -0.078 -1.380 20.795 1.00 3.40 H new ATOM 0 HB3 SER A 2 1.247 -2.420 20.315 1.00 3.40 H new ATOM 0 HG SER A 2 1.882 0.253 20.975 1.00 4.03 H new ATOM 12 N GLY A 3 -0.071 -0.828 16.823 1.00 1.16 N ATOM 13 CA GLY A 3 -1.046 -1.208 15.816 1.00 1.19 C ATOM 14 C GLY A 3 -0.630 -2.500 15.125 1.00 1.23 C ATOM 15 O GLY A 3 -0.330 -3.503 15.769 1.00 1.72 O ATOM 0 H GLY A 3 0.550 -0.076 16.523 1.00 1.16 H new ATOM 0 HA2 GLY A 3 -2.024 -1.336 16.280 1.00 1.19 H new ATOM 0 HA3 GLY A 3 -1.145 -0.411 15.079 1.00 1.19 H new ATOM 19 N THR A 4 -0.598 -2.506 13.794 1.00 0.89 N ATOM 20 CA THR A 4 0.003 -3.594 13.056 1.00 0.81 C ATOM 21 C THR A 4 0.658 -2.984 11.835 1.00 0.73 C ATOM 22 O THR A 4 -0.022 -2.331 11.042 1.00 0.95 O ATOM 23 CB THR A 4 -1.032 -4.671 12.711 1.00 0.88 C ATOM 24 OG1 THR A 4 -1.659 -5.108 13.899 1.00 1.15 O ATOM 25 CG2 THR A 4 -0.351 -5.880 12.062 1.00 1.09 C ATOM 0 H THR A 4 -0.985 -1.764 13.211 1.00 0.89 H new ATOM 0 HA THR A 4 0.755 -4.112 13.651 1.00 0.81 H new ATOM 0 HB THR A 4 -1.759 -4.245 12.020 1.00 0.88 H new ATOM 0 HG1 THR A 4 -2.323 -5.796 13.684 1.00 1.15 H new ATOM 0 HG21 THR A 4 -1.100 -6.635 11.824 1.00 1.09 H new ATOM 0 HG22 THR A 4 0.152 -5.567 11.147 1.00 1.09 H new ATOM 0 HG23 THR A 4 0.380 -6.300 12.753 1.00 1.09 H new ATOM 33 N ARG A 5 1.961 -3.227 11.702 1.00 0.56 N ATOM 34 CA ARG A 5 2.760 -2.762 10.593 1.00 0.45 C ATOM 35 C ARG A 5 2.713 -3.911 9.605 1.00 0.37 C ATOM 36 O ARG A 5 3.325 -4.955 9.807 1.00 0.45 O ATOM 37 CB ARG A 5 4.187 -2.461 11.081 1.00 0.76 C ATOM 38 CG ARG A 5 5.188 -2.113 9.965 1.00 0.70 C ATOM 39 CD ARG A 5 5.597 -3.337 9.119 1.00 0.75 C ATOM 40 NE ARG A 5 6.984 -3.307 8.634 1.00 0.90 N ATOM 41 CZ ARG A 5 7.571 -4.360 8.028 1.00 1.87 C ATOM 42 NH1 ARG A 5 6.830 -5.403 7.622 1.00 3.44 N ATOM 43 NH2 ARG A 5 8.895 -4.366 7.840 1.00 2.05 N ATOM 0 H ARG A 5 2.494 -3.767 12.384 1.00 0.56 H new ATOM 0 HA ARG A 5 2.401 -1.838 10.140 1.00 0.45 H new ATOM 0 HB2 ARG A 5 4.148 -1.631 11.787 1.00 0.76 H new ATOM 0 HB3 ARG A 5 4.560 -3.327 11.628 1.00 0.76 H new ATOM 0 HG2 ARG A 5 4.749 -1.358 9.313 1.00 0.70 H new ATOM 0 HG3 ARG A 5 6.080 -1.671 10.409 1.00 0.70 H new ATOM 0 HD2 ARG A 5 5.453 -4.239 9.714 1.00 0.75 H new ATOM 0 HD3 ARG A 5 4.927 -3.411 8.262 1.00 0.75 H new ATOM 0 HE ARG A 5 7.527 -2.453 8.761 1.00 0.90 H new ATOM 0 HH11 ARG A 5 5.821 -5.401 7.771 1.00 3.44 H new ATOM 0 HH12 ARG A 5 7.276 -6.198 7.164 1.00 3.44 H new ATOM 0 HH21 ARG A 5 9.458 -3.576 8.154 1.00 2.05 H new ATOM 0 HH22 ARG A 5 9.342 -5.161 7.382 1.00 2.05 H new ATOM 57 N TYR A 6 1.969 -3.734 8.529 1.00 0.48 N ATOM 58 CA TYR A 6 2.013 -4.653 7.414 1.00 0.38 C ATOM 59 C TYR A 6 2.853 -4.010 6.315 1.00 0.36 C ATOM 60 O TYR A 6 2.918 -2.783 6.247 1.00 0.61 O ATOM 61 CB TYR A 6 0.592 -4.888 6.936 1.00 0.46 C ATOM 62 CG TYR A 6 -0.405 -5.352 7.964 1.00 0.64 C ATOM 63 CD1 TYR A 6 -0.505 -6.721 8.261 1.00 2.10 C ATOM 64 CD2 TYR A 6 -1.406 -4.466 8.395 1.00 1.63 C ATOM 65 CE1 TYR A 6 -1.569 -7.192 9.042 1.00 2.15 C ATOM 66 CE2 TYR A 6 -2.512 -4.955 9.102 1.00 1.71 C ATOM 67 CZ TYR A 6 -2.546 -6.300 9.511 1.00 0.96 C ATOM 68 OH TYR A 6 -3.490 -6.747 10.383 1.00 1.07 O ATOM 0 H TYR A 6 1.323 -2.954 8.406 1.00 0.48 H new ATOM 0 HA TYR A 6 2.454 -5.610 7.694 1.00 0.38 H new ATOM 0 HB2 TYR A 6 0.223 -3.960 6.500 1.00 0.46 H new ATOM 0 HB3 TYR A 6 0.621 -5.626 6.135 1.00 0.46 H new ATOM 0 HD1 TYR A 6 0.238 -7.410 7.888 1.00 2.10 H new ATOM 0 HD2 TYR A 6 -1.323 -3.410 8.182 1.00 1.63 H new ATOM 0 HE1 TYR A 6 -1.637 -8.242 9.283 1.00 2.15 H new ATOM 0 HE2 TYR A 6 -3.338 -4.299 9.333 1.00 1.71 H new ATOM 0 HH TYR A 6 -4.174 -7.252 9.895 1.00 1.07 H new ATOM 78 N SER A 7 3.498 -4.809 5.463 1.00 0.26 N ATOM 79 CA SER A 7 4.200 -4.301 4.285 1.00 0.24 C ATOM 80 C SER A 7 3.853 -5.130 3.057 1.00 0.21 C ATOM 81 O SER A 7 3.450 -6.287 3.173 1.00 0.22 O ATOM 82 CB SER A 7 5.710 -4.262 4.572 1.00 0.35 C ATOM 83 OG SER A 7 6.447 -3.614 3.551 1.00 1.58 O ATOM 0 H SER A 7 3.548 -5.822 5.570 1.00 0.26 H new ATOM 0 HA SER A 7 3.878 -3.283 4.067 1.00 0.24 H new ATOM 0 HB2 SER A 7 5.882 -3.750 5.519 1.00 0.35 H new ATOM 0 HB3 SER A 7 6.079 -5.281 4.689 1.00 0.35 H new ATOM 0 HG SER A 7 7.046 -4.259 3.120 1.00 1.58 H new ATOM 89 N TRP A 8 3.993 -4.491 1.895 1.00 0.22 N ATOM 90 CA TRP A 8 3.847 -5.046 0.569 1.00 0.22 C ATOM 91 C TRP A 8 5.034 -4.609 -0.259 1.00 0.26 C ATOM 92 O TRP A 8 5.494 -3.472 -0.137 1.00 0.32 O ATOM 93 CB TRP A 8 2.540 -4.585 -0.076 1.00 0.26 C ATOM 94 CG TRP A 8 1.377 -5.054 0.716 1.00 0.21 C ATOM 95 CD1 TRP A 8 1.137 -6.357 0.947 1.00 0.36 C ATOM 96 CD2 TRP A 8 0.561 -4.370 1.695 1.00 0.29 C ATOM 97 NE1 TRP A 8 0.425 -6.474 2.129 1.00 0.30 N ATOM 98 CE2 TRP A 8 0.416 -5.247 2.785 1.00 0.26 C ATOM 99 CE3 TRP A 8 0.059 -3.093 1.971 1.00 0.29 C ATOM 100 CZ2 TRP A 8 0.149 -4.678 4.060 1.00 0.30 C ATOM 101 CZ3 TRP A 8 -1.016 -3.056 2.896 1.00 0.32 C ATOM 102 CH2 TRP A 8 -0.748 -3.606 4.120 1.00 0.32 C ATOM 0 H TRP A 8 4.229 -3.499 1.865 1.00 0.22 H new ATOM 0 HA TRP A 8 3.812 -6.134 0.627 1.00 0.22 H new ATOM 0 HB2 TRP A 8 2.526 -3.497 -0.145 1.00 0.26 H new ATOM 0 HB3 TRP A 8 2.474 -4.970 -1.094 1.00 0.26 H new ATOM 0 HD1 TRP A 8 1.448 -7.176 0.316 1.00 0.36 H new ATOM 0 HE1 TRP A 8 -0.023 -7.326 2.466 1.00 0.30 H new ATOM 0 HE3 TRP A 8 0.461 -2.201 1.513 1.00 0.29 H new ATOM 0 HZ2 TRP A 8 0.623 -5.060 4.952 1.00 0.30 H new ATOM 0 HZ3 TRP A 8 -1.976 -2.625 2.652 1.00 0.32 H new ATOM 0 HH2 TRP A 8 -1.185 -3.248 5.040 1.00 0.32 H new ATOM 113 N LYS A 9 5.479 -5.524 -1.116 1.00 0.28 N ATOM 114 CA LYS A 9 6.544 -5.299 -2.079 1.00 0.32 C ATOM 115 C LYS A 9 5.846 -5.222 -3.422 1.00 0.34 C ATOM 116 O LYS A 9 4.959 -6.041 -3.666 1.00 0.47 O ATOM 117 CB LYS A 9 7.577 -6.433 -2.034 1.00 0.45 C ATOM 118 CG LYS A 9 6.958 -7.839 -2.004 1.00 0.83 C ATOM 119 CD LYS A 9 8.021 -8.933 -1.866 1.00 0.67 C ATOM 120 CE LYS A 9 8.891 -9.046 -3.127 1.00 1.09 C ATOM 121 NZ LYS A 9 9.757 -10.242 -3.090 1.00 1.64 N ATOM 0 H LYS A 9 5.095 -6.468 -1.158 1.00 0.28 H new ATOM 0 HA LYS A 9 7.106 -4.389 -1.869 1.00 0.32 H new ATOM 0 HB2 LYS A 9 8.229 -6.352 -2.904 1.00 0.45 H new ATOM 0 HB3 LYS A 9 8.205 -6.304 -1.152 1.00 0.45 H new ATOM 0 HG2 LYS A 9 6.257 -7.908 -1.172 1.00 0.83 H new ATOM 0 HG3 LYS A 9 6.386 -8.003 -2.917 1.00 0.83 H new ATOM 0 HD2 LYS A 9 8.655 -8.718 -1.006 1.00 0.67 H new ATOM 0 HD3 LYS A 9 7.535 -9.889 -1.673 1.00 0.67 H new ATOM 0 HE2 LYS A 9 8.251 -9.088 -4.008 1.00 1.09 H new ATOM 0 HE3 LYS A 9 9.508 -8.153 -3.224 1.00 1.09 H new ATOM 0 HZ1 LYS A 9 10.329 -10.284 -3.958 1.00 1.64 H new ATOM 0 HZ2 LYS A 9 10.386 -10.190 -2.263 1.00 1.64 H new ATOM 0 HZ3 LYS A 9 9.167 -11.096 -3.023 1.00 1.64 H new ATOM 135 N VAL A 10 6.187 -4.230 -4.241 1.00 0.43 N ATOM 136 CA VAL A 10 5.518 -3.973 -5.510 1.00 0.58 C ATOM 137 C VAL A 10 6.495 -4.162 -6.663 1.00 0.86 C ATOM 138 O VAL A 10 7.646 -4.531 -6.454 1.00 1.91 O ATOM 139 CB VAL A 10 4.829 -2.593 -5.499 1.00 0.73 C ATOM 140 CG1 VAL A 10 4.012 -2.392 -4.215 1.00 1.76 C ATOM 141 CG2 VAL A 10 5.826 -1.438 -5.633 1.00 2.49 C ATOM 0 H VAL A 10 6.943 -3.576 -4.039 1.00 0.43 H new ATOM 0 HA VAL A 10 4.719 -4.699 -5.658 1.00 0.58 H new ATOM 0 HB VAL A 10 4.168 -2.582 -6.366 1.00 0.73 H new ATOM 0 HG11 VAL A 10 3.538 -1.411 -4.235 1.00 1.76 H new ATOM 0 HG12 VAL A 10 3.246 -3.164 -4.147 1.00 1.76 H new ATOM 0 HG13 VAL A 10 4.672 -2.458 -3.350 1.00 1.76 H new ATOM 0 HG21 VAL A 10 5.288 -0.490 -5.620 1.00 2.49 H new ATOM 0 HG22 VAL A 10 6.531 -1.467 -4.802 1.00 2.49 H new ATOM 0 HG23 VAL A 10 6.369 -1.534 -6.573 1.00 2.49 H new ATOM 151 N SER A 11 6.032 -3.915 -7.888 1.00 0.47 N ATOM 152 CA SER A 11 6.896 -3.768 -9.043 1.00 0.45 C ATOM 153 C SER A 11 6.137 -2.879 -10.026 1.00 0.46 C ATOM 154 O SER A 11 5.228 -3.353 -10.705 1.00 1.05 O ATOM 155 CB SER A 11 7.253 -5.147 -9.616 1.00 0.64 C ATOM 156 OG SER A 11 8.402 -5.052 -10.434 1.00 1.85 O ATOM 0 H SER A 11 5.040 -3.812 -8.101 1.00 0.47 H new ATOM 0 HA SER A 11 7.852 -3.304 -8.798 1.00 0.45 H new ATOM 0 HB2 SER A 11 7.433 -5.851 -8.804 1.00 0.64 H new ATOM 0 HB3 SER A 11 6.416 -5.536 -10.196 1.00 0.64 H new ATOM 0 HG SER A 11 8.622 -5.937 -10.793 1.00 1.85 H new ATOM 162 N GLY A 12 6.434 -1.575 -10.027 1.00 0.66 N ATOM 163 CA GLY A 12 5.759 -0.618 -10.895 1.00 0.71 C ATOM 164 C GLY A 12 5.920 0.823 -10.410 1.00 0.85 C ATOM 165 O GLY A 12 6.237 1.706 -11.198 1.00 1.57 O ATOM 0 H GLY A 12 7.147 -1.160 -9.427 1.00 0.66 H new ATOM 0 HA2 GLY A 12 6.157 -0.705 -11.906 1.00 0.71 H new ATOM 0 HA3 GLY A 12 4.699 -0.864 -10.948 1.00 0.71 H new ATOM 169 N MET A 13 5.664 1.071 -9.121 1.00 0.51 N ATOM 170 CA MET A 13 5.565 2.418 -8.565 1.00 0.53 C ATOM 171 C MET A 13 6.891 3.188 -8.647 1.00 0.44 C ATOM 172 O MET A 13 7.892 2.814 -8.033 1.00 0.56 O ATOM 173 CB MET A 13 5.016 2.325 -7.140 1.00 0.69 C ATOM 174 CG MET A 13 3.508 2.038 -7.197 1.00 1.55 C ATOM 175 SD MET A 13 2.840 0.931 -5.933 1.00 2.58 S ATOM 176 CE MET A 13 3.484 1.729 -4.453 1.00 2.18 C ATOM 0 H MET A 13 5.519 0.334 -8.431 1.00 0.51 H new ATOM 0 HA MET A 13 4.870 3.002 -9.168 1.00 0.53 H new ATOM 0 HB2 MET A 13 5.528 1.535 -6.591 1.00 0.69 H new ATOM 0 HB3 MET A 13 5.201 3.256 -6.605 1.00 0.69 H new ATOM 0 HG2 MET A 13 2.979 2.988 -7.130 1.00 1.55 H new ATOM 0 HG3 MET A 13 3.280 1.614 -8.175 1.00 1.55 H new ATOM 0 HE1 MET A 13 2.986 1.321 -3.574 1.00 2.18 H new ATOM 0 HE2 MET A 13 4.556 1.548 -4.379 1.00 2.18 H new ATOM 0 HE3 MET A 13 3.300 2.802 -4.509 1.00 2.18 H new ATOM 186 N ASP A 14 6.853 4.282 -9.408 1.00 0.45 N ATOM 187 CA ASP A 14 7.950 4.896 -10.142 1.00 0.53 C ATOM 188 C ASP A 14 8.062 6.411 -9.912 1.00 0.48 C ATOM 189 O ASP A 14 9.162 6.952 -10.019 1.00 0.52 O ATOM 190 CB ASP A 14 7.688 4.640 -11.636 1.00 0.73 C ATOM 191 CG ASP A 14 6.305 5.117 -12.104 1.00 0.80 C ATOM 192 OD1 ASP A 14 5.458 5.458 -11.252 1.00 1.22 O ATOM 193 OD2 ASP A 14 6.093 5.176 -13.333 1.00 1.26 O ATOM 0 H ASP A 14 5.983 4.800 -9.534 1.00 0.45 H new ATOM 0 HA ASP A 14 8.885 4.459 -9.793 1.00 0.53 H new ATOM 0 HB2 ASP A 14 8.456 5.144 -12.223 1.00 0.73 H new ATOM 0 HB3 ASP A 14 7.783 3.573 -11.836 1.00 0.73 H new ATOM 198 N CYS A 15 6.948 7.086 -9.611 1.00 0.51 N ATOM 199 CA CYS A 15 6.831 8.532 -9.480 1.00 0.46 C ATOM 200 C CYS A 15 6.211 8.865 -8.127 1.00 0.35 C ATOM 201 O CYS A 15 5.376 8.115 -7.622 1.00 0.36 O ATOM 202 CB CYS A 15 5.912 9.112 -10.567 1.00 0.54 C ATOM 203 SG CYS A 15 6.115 8.344 -12.196 1.00 0.76 S ATOM 0 H CYS A 15 6.062 6.609 -9.445 1.00 0.51 H new ATOM 0 HA CYS A 15 7.829 8.961 -9.577 1.00 0.46 H new ATOM 0 HB2 CYS A 15 4.875 8.998 -10.250 1.00 0.54 H new ATOM 0 HB3 CYS A 15 6.102 10.182 -10.655 1.00 0.54 H new ATOM 208 N ALA A 16 6.529 10.045 -7.593 1.00 0.31 N ATOM 209 CA ALA A 16 5.899 10.554 -6.384 1.00 0.29 C ATOM 210 C ALA A 16 4.391 10.724 -6.582 1.00 0.23 C ATOM 211 O ALA A 16 3.614 10.477 -5.667 1.00 0.23 O ATOM 212 CB ALA A 16 6.551 11.880 -5.986 1.00 0.35 C ATOM 0 H ALA A 16 7.230 10.671 -7.989 1.00 0.31 H new ATOM 0 HA ALA A 16 6.044 9.833 -5.580 1.00 0.29 H new ATOM 0 HB1 ALA A 16 6.078 12.260 -5.080 1.00 0.35 H new ATOM 0 HB2 ALA A 16 7.614 11.722 -5.802 1.00 0.35 H new ATOM 0 HB3 ALA A 16 6.426 12.603 -6.792 1.00 0.35 H new ATOM 218 N ALA A 17 3.964 11.144 -7.778 1.00 0.26 N ATOM 219 CA ALA A 17 2.546 11.258 -8.096 1.00 0.27 C ATOM 220 C ALA A 17 1.862 9.901 -7.916 1.00 0.26 C ATOM 221 O ALA A 17 0.895 9.784 -7.165 1.00 0.31 O ATOM 222 CB ALA A 17 2.372 11.786 -9.523 1.00 0.31 C ATOM 0 H ALA A 17 4.587 11.410 -8.541 1.00 0.26 H new ATOM 0 HA ALA A 17 2.075 11.967 -7.415 1.00 0.27 H new ATOM 0 HB1 ALA A 17 1.310 11.868 -9.753 1.00 0.31 H new ATOM 0 HB2 ALA A 17 2.839 12.767 -9.607 1.00 0.31 H new ATOM 0 HB3 ALA A 17 2.843 11.098 -10.225 1.00 0.31 H new ATOM 228 N CYS A 18 2.394 8.881 -8.595 1.00 0.29 N ATOM 229 CA CYS A 18 1.945 7.499 -8.518 1.00 0.34 C ATOM 230 C CYS A 18 1.900 7.071 -7.047 1.00 0.29 C ATOM 231 O CYS A 18 0.851 6.668 -6.543 1.00 0.29 O ATOM 232 CB CYS A 18 2.872 6.618 -9.382 1.00 0.46 C ATOM 233 SG CYS A 18 2.909 7.264 -11.092 1.00 0.63 S ATOM 0 H CYS A 18 3.178 9.006 -9.236 1.00 0.29 H new ATOM 0 HA CYS A 18 0.937 7.385 -8.916 1.00 0.34 H new ATOM 0 HB2 CYS A 18 3.878 6.611 -8.963 1.00 0.46 H new ATOM 0 HB3 CYS A 18 2.518 5.587 -9.379 1.00 0.46 H new ATOM 238 N ALA A 19 3.026 7.229 -6.344 1.00 0.31 N ATOM 239 CA ALA A 19 3.166 6.947 -4.927 1.00 0.40 C ATOM 240 C ALA A 19 2.020 7.561 -4.135 1.00 0.38 C ATOM 241 O ALA A 19 1.380 6.889 -3.330 1.00 0.44 O ATOM 242 CB ALA A 19 4.500 7.494 -4.413 1.00 0.47 C ATOM 0 H ALA A 19 3.889 7.569 -6.768 1.00 0.31 H new ATOM 0 HA ALA A 19 3.141 5.866 -4.791 1.00 0.40 H new ATOM 0 HB1 ALA A 19 4.596 7.278 -3.349 1.00 0.47 H new ATOM 0 HB2 ALA A 19 5.320 7.022 -4.955 1.00 0.47 H new ATOM 0 HB3 ALA A 19 4.535 8.572 -4.569 1.00 0.47 H new ATOM 248 N ARG A 20 1.752 8.847 -4.360 1.00 0.35 N ATOM 249 CA ARG A 20 0.711 9.514 -3.611 1.00 0.42 C ATOM 250 C ARG A 20 -0.666 8.973 -3.994 1.00 0.32 C ATOM 251 O ARG A 20 -1.542 8.793 -3.153 1.00 0.37 O ATOM 252 CB ARG A 20 0.771 11.038 -3.763 1.00 0.54 C ATOM 253 CG ARG A 20 0.450 11.563 -2.368 1.00 0.97 C ATOM 254 CD ARG A 20 -0.057 12.992 -2.286 1.00 1.07 C ATOM 255 NE ARG A 20 -0.476 13.204 -0.895 1.00 2.00 N ATOM 256 CZ ARG A 20 -1.283 14.175 -0.460 1.00 2.71 C ATOM 257 NH1 ARG A 20 -1.762 15.081 -1.322 1.00 2.89 N ATOM 258 NH2 ARG A 20 -1.600 14.230 0.836 1.00 3.70 N ATOM 0 H ARG A 20 2.236 9.430 -5.043 1.00 0.35 H new ATOM 0 HA ARG A 20 0.883 9.297 -2.557 1.00 0.42 H new ATOM 0 HB2 ARG A 20 1.755 11.367 -4.096 1.00 0.54 H new ATOM 0 HB3 ARG A 20 0.050 11.394 -4.499 1.00 0.54 H new ATOM 0 HG2 ARG A 20 -0.298 10.909 -1.920 1.00 0.97 H new ATOM 0 HG3 ARG A 20 1.349 11.484 -1.757 1.00 0.97 H new ATOM 0 HD2 ARG A 20 0.724 13.698 -2.568 1.00 1.07 H new ATOM 0 HD3 ARG A 20 -0.891 13.148 -2.971 1.00 1.07 H new ATOM 0 HE ARG A 20 -0.118 12.551 -0.198 1.00 2.00 H new ATOM 0 HH11 ARG A 20 -1.510 15.029 -2.309 1.00 2.89 H new ATOM 0 HH12 ARG A 20 -2.379 15.823 -0.991 1.00 2.89 H new ATOM 0 HH21 ARG A 20 -1.227 13.535 1.482 1.00 3.70 H new ATOM 0 HH22 ARG A 20 -2.216 14.967 1.180 1.00 3.70 H new ATOM 272 N LYS A 21 -0.872 8.686 -5.276 1.00 0.25 N ATOM 273 CA LYS A 21 -2.119 8.094 -5.724 1.00 0.27 C ATOM 274 C LYS A 21 -2.342 6.783 -4.963 1.00 0.24 C ATOM 275 O LYS A 21 -3.459 6.494 -4.535 1.00 0.28 O ATOM 276 CB LYS A 21 -2.095 7.923 -7.252 1.00 0.36 C ATOM 277 CG LYS A 21 -3.362 8.474 -7.916 1.00 0.67 C ATOM 278 CD LYS A 21 -4.553 7.522 -7.758 1.00 1.98 C ATOM 279 CE LYS A 21 -5.816 8.167 -8.350 1.00 2.20 C ATOM 280 NZ LYS A 21 -6.885 7.177 -8.597 1.00 3.66 N ATOM 0 H LYS A 21 -0.192 8.855 -6.017 1.00 0.25 H new ATOM 0 HA LYS A 21 -2.967 8.744 -5.505 1.00 0.27 H new ATOM 0 HB2 LYS A 21 -1.222 8.433 -7.659 1.00 0.36 H new ATOM 0 HB3 LYS A 21 -1.989 6.866 -7.496 1.00 0.36 H new ATOM 0 HG2 LYS A 21 -3.610 9.441 -7.478 1.00 0.67 H new ATOM 0 HG3 LYS A 21 -3.172 8.644 -8.976 1.00 0.67 H new ATOM 0 HD2 LYS A 21 -4.345 6.578 -8.262 1.00 1.98 H new ATOM 0 HD3 LYS A 21 -4.710 7.293 -6.704 1.00 1.98 H new ATOM 0 HE2 LYS A 21 -6.184 8.934 -7.668 1.00 2.20 H new ATOM 0 HE3 LYS A 21 -5.563 8.667 -9.285 1.00 2.20 H new ATOM 0 HZ1 LYS A 21 -7.717 7.657 -8.996 1.00 3.66 H new ATOM 0 HZ2 LYS A 21 -6.545 6.459 -9.268 1.00 3.66 H new ATOM 0 HZ3 LYS A 21 -7.147 6.718 -7.701 1.00 3.66 H new ATOM 294 N VAL A 22 -1.270 6.019 -4.745 1.00 0.20 N ATOM 295 CA VAL A 22 -1.311 4.785 -3.984 1.00 0.21 C ATOM 296 C VAL A 22 -1.622 5.085 -2.518 1.00 0.20 C ATOM 297 O VAL A 22 -2.516 4.459 -1.945 1.00 0.24 O ATOM 298 CB VAL A 22 0.018 4.031 -4.119 1.00 0.22 C ATOM 299 CG1 VAL A 22 -0.076 2.654 -3.467 1.00 0.40 C ATOM 300 CG2 VAL A 22 0.464 3.872 -5.574 1.00 0.51 C ATOM 0 H VAL A 22 -0.342 6.249 -5.099 1.00 0.20 H new ATOM 0 HA VAL A 22 -2.102 4.149 -4.381 1.00 0.21 H new ATOM 0 HB VAL A 22 0.766 4.636 -3.607 1.00 0.22 H new ATOM 0 HG11 VAL A 22 0.877 2.135 -3.574 1.00 0.40 H new ATOM 0 HG12 VAL A 22 -0.311 2.768 -2.409 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -0.861 2.074 -3.953 1.00 0.40 H new ATOM 0 HG21 VAL A 22 1.410 3.331 -5.608 1.00 0.51 H new ATOM 0 HG22 VAL A 22 -0.292 3.315 -6.128 1.00 0.51 H new ATOM 0 HG23 VAL A 22 0.592 4.856 -6.025 1.00 0.51 H new ATOM 310 N GLU A 23 -0.887 6.023 -1.898 1.00 0.21 N ATOM 311 CA GLU A 23 -1.067 6.273 -0.470 1.00 0.26 C ATOM 312 C GLU A 23 -2.528 6.645 -0.218 1.00 0.23 C ATOM 313 O GLU A 23 -3.154 6.152 0.712 1.00 0.26 O ATOM 314 CB GLU A 23 -0.064 7.292 0.123 1.00 0.34 C ATOM 315 CG GLU A 23 -0.509 8.755 -0.029 1.00 0.39 C ATOM 316 CD GLU A 23 0.423 9.804 0.576 1.00 0.56 C ATOM 317 OE1 GLU A 23 1.532 9.411 0.990 1.00 1.54 O ATOM 318 OE2 GLU A 23 0.000 10.988 0.613 1.00 1.82 O ATOM 0 H GLU A 23 -0.183 6.603 -2.353 1.00 0.21 H new ATOM 0 HA GLU A 23 -0.835 5.355 0.070 1.00 0.26 H new ATOM 0 HB2 GLU A 23 0.080 7.073 1.181 1.00 0.34 H new ATOM 0 HB3 GLU A 23 0.903 7.163 -0.364 1.00 0.34 H new ATOM 0 HG2 GLU A 23 -0.625 8.970 -1.091 1.00 0.39 H new ATOM 0 HG3 GLU A 23 -1.492 8.864 0.428 1.00 0.39 H new ATOM 325 N ASN A 24 -3.073 7.482 -1.099 1.00 0.24 N ATOM 326 CA ASN A 24 -4.461 7.917 -1.104 1.00 0.30 C ATOM 327 C ASN A 24 -5.404 6.734 -1.309 1.00 0.31 C ATOM 328 O ASN A 24 -6.387 6.588 -0.577 1.00 0.38 O ATOM 329 CB ASN A 24 -4.669 8.960 -2.212 1.00 0.38 C ATOM 330 CG ASN A 24 -4.435 10.381 -1.712 1.00 1.38 C ATOM 331 OD1 ASN A 24 -3.412 11.005 -1.973 1.00 3.07 O ATOM 332 ND2 ASN A 24 -5.416 10.920 -0.996 1.00 1.43 N ATOM 0 H ASN A 24 -2.532 7.891 -1.861 1.00 0.24 H new ATOM 0 HA ASN A 24 -4.689 8.365 -0.137 1.00 0.30 H new ATOM 0 HB2 ASN A 24 -3.990 8.751 -3.039 1.00 0.38 H new ATOM 0 HB3 ASN A 24 -5.683 8.876 -2.603 1.00 0.38 H new ATOM 0 HD21 ASN A 24 -5.329 11.875 -0.649 1.00 1.43 H new ATOM 0 HD22 ASN A 24 -6.256 10.379 -0.793 1.00 1.43 H new ATOM 339 N ALA A 25 -5.132 5.915 -2.329 1.00 0.30 N ATOM 340 CA ALA A 25 -5.922 4.735 -2.653 1.00 0.35 C ATOM 341 C ALA A 25 -6.065 3.809 -1.448 1.00 0.32 C ATOM 342 O ALA A 25 -7.121 3.215 -1.247 1.00 0.37 O ATOM 343 CB ALA A 25 -5.303 3.995 -3.835 1.00 0.41 C ATOM 0 H ALA A 25 -4.343 6.060 -2.960 1.00 0.30 H new ATOM 0 HA ALA A 25 -6.923 5.065 -2.931 1.00 0.35 H new ATOM 0 HB1 ALA A 25 -5.902 3.115 -4.068 1.00 0.41 H new ATOM 0 HB2 ALA A 25 -5.275 4.654 -4.703 1.00 0.41 H new ATOM 0 HB3 ALA A 25 -4.289 3.686 -3.580 1.00 0.41 H new ATOM 349 N VAL A 26 -5.008 3.688 -0.645 1.00 0.26 N ATOM 350 CA VAL A 26 -5.042 2.890 0.571 1.00 0.26 C ATOM 351 C VAL A 26 -5.683 3.665 1.722 1.00 0.26 C ATOM 352 O VAL A 26 -6.579 3.151 2.389 1.00 0.27 O ATOM 353 CB VAL A 26 -3.629 2.365 0.870 1.00 0.34 C ATOM 354 CG1 VAL A 26 -3.462 1.835 2.292 1.00 2.15 C ATOM 355 CG2 VAL A 26 -3.332 1.271 -0.146 1.00 1.93 C ATOM 0 H VAL A 26 -4.111 4.140 -0.822 1.00 0.26 H new ATOM 0 HA VAL A 26 -5.681 2.018 0.434 1.00 0.26 H new ATOM 0 HB VAL A 26 -2.925 3.194 0.791 1.00 0.34 H new ATOM 0 HG11 VAL A 26 -2.440 1.481 2.431 1.00 2.15 H new ATOM 0 HG12 VAL A 26 -3.670 2.633 3.005 1.00 2.15 H new ATOM 0 HG13 VAL A 26 -4.157 1.011 2.457 1.00 2.15 H new ATOM 0 HG21 VAL A 26 -2.334 0.870 0.032 1.00 1.93 H new ATOM 0 HG22 VAL A 26 -4.067 0.472 -0.046 1.00 1.93 H new ATOM 0 HG23 VAL A 26 -3.382 1.686 -1.153 1.00 1.93 H new ATOM 365 N ARG A 27 -5.247 4.899 1.974 1.00 0.27 N ATOM 366 CA ARG A 27 -5.635 5.639 3.169 1.00 0.30 C ATOM 367 C ARG A 27 -7.154 5.769 3.281 1.00 0.35 C ATOM 368 O ARG A 27 -7.704 5.761 4.378 1.00 0.39 O ATOM 369 CB ARG A 27 -4.950 7.009 3.171 1.00 0.32 C ATOM 370 CG ARG A 27 -5.180 7.738 4.497 1.00 0.45 C ATOM 371 CD ARG A 27 -4.354 9.025 4.551 1.00 0.52 C ATOM 372 NE ARG A 27 -4.564 9.722 5.828 1.00 0.75 N ATOM 373 CZ ARG A 27 -4.008 10.898 6.158 1.00 1.25 C ATOM 374 NH1 ARG A 27 -3.163 11.491 5.308 1.00 1.84 N ATOM 375 NH2 ARG A 27 -4.303 11.473 7.328 1.00 1.42 N ATOM 0 H ARG A 27 -4.617 5.410 1.356 1.00 0.27 H new ATOM 0 HA ARG A 27 -5.305 5.083 4.046 1.00 0.30 H new ATOM 0 HB2 ARG A 27 -3.880 6.885 3.002 1.00 0.32 H new ATOM 0 HB3 ARG A 27 -5.335 7.613 2.349 1.00 0.32 H new ATOM 0 HG2 ARG A 27 -6.238 7.973 4.611 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -4.907 7.088 5.328 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -3.297 8.790 4.428 1.00 0.52 H new ATOM 0 HD3 ARG A 27 -4.634 9.678 3.724 1.00 0.52 H new ATOM 0 HE ARG A 27 -5.177 9.280 6.513 1.00 0.75 H new ATOM 0 HH11 ARG A 27 -2.944 11.049 4.415 1.00 1.84 H new ATOM 0 HH12 ARG A 27 -2.737 12.385 5.553 1.00 1.84 H new ATOM 0 HH21 ARG A 27 -4.951 11.018 7.971 1.00 1.42 H new ATOM 0 HH22 ARG A 27 -3.880 12.367 7.578 1.00 1.42 H new ATOM 389 N GLN A 28 -7.831 5.883 2.138 1.00 0.37 N ATOM 390 CA GLN A 28 -9.277 6.018 2.087 1.00 0.45 C ATOM 391 C GLN A 28 -10.038 4.815 2.662 1.00 0.41 C ATOM 392 O GLN A 28 -11.230 4.948 2.915 1.00 0.47 O ATOM 393 CB GLN A 28 -9.727 6.379 0.670 1.00 0.54 C ATOM 394 CG GLN A 28 -9.464 5.220 -0.284 1.00 0.50 C ATOM 395 CD GLN A 28 -9.616 5.657 -1.733 1.00 0.66 C ATOM 396 OE1 GLN A 28 -10.511 5.216 -2.446 1.00 0.81 O ATOM 397 NE2 GLN A 28 -8.741 6.554 -2.176 1.00 0.84 N ATOM 0 H GLN A 28 -7.385 5.884 1.221 1.00 0.37 H new ATOM 0 HA GLN A 28 -9.541 6.841 2.751 1.00 0.45 H new ATOM 0 HB2 GLN A 28 -10.789 6.624 0.670 1.00 0.54 H new ATOM 0 HB3 GLN A 28 -9.195 7.267 0.328 1.00 0.54 H new ATOM 0 HG2 GLN A 28 -8.458 4.833 -0.122 1.00 0.50 H new ATOM 0 HG3 GLN A 28 -10.157 4.406 -0.072 1.00 0.50 H new ATOM 0 HE21 GLN A 28 -8.008 6.901 -1.557 1.00 0.84 H new ATOM 0 HE22 GLN A 28 -8.802 6.896 -3.135 1.00 0.84 H new ATOM 406 N LEU A 29 -9.402 3.644 2.812 1.00 0.33 N ATOM 407 CA LEU A 29 -10.098 2.420 3.182 1.00 0.32 C ATOM 408 C LEU A 29 -10.827 2.540 4.528 1.00 0.31 C ATOM 409 O LEU A 29 -12.052 2.609 4.543 1.00 0.36 O ATOM 410 CB LEU A 29 -9.111 1.247 3.160 1.00 0.29 C ATOM 411 CG LEU A 29 -8.612 0.919 1.741 1.00 0.33 C ATOM 412 CD1 LEU A 29 -7.439 -0.057 1.854 1.00 0.34 C ATOM 413 CD2 LEU A 29 -9.726 0.315 0.884 1.00 0.42 C ATOM 0 H LEU A 29 -8.397 3.527 2.680 1.00 0.33 H new ATOM 0 HA LEU A 29 -10.881 2.234 2.446 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -8.258 1.483 3.796 1.00 0.29 H new ATOM 0 HB3 LEU A 29 -9.591 0.365 3.585 1.00 0.29 H new ATOM 0 HG LEU A 29 -8.291 1.839 1.252 1.00 0.33 H new ATOM 0 HD11 LEU A 29 -7.072 -0.301 0.857 1.00 0.34 H new ATOM 0 HD12 LEU A 29 -6.638 0.402 2.433 1.00 0.34 H new ATOM 0 HD13 LEU A 29 -7.771 -0.968 2.352 1.00 0.34 H new ATOM 0 HD21 LEU A 29 -9.341 0.095 -0.112 1.00 0.42 H new ATOM 0 HD22 LEU A 29 -10.083 -0.605 1.347 1.00 0.42 H new ATOM 0 HD23 LEU A 29 -10.550 1.024 0.805 1.00 0.42 H new ATOM 425 N ALA A 30 -10.084 2.505 5.645 1.00 0.29 N ATOM 426 CA ALA A 30 -10.583 2.543 7.021 1.00 0.34 C ATOM 427 C ALA A 30 -9.482 2.138 8.011 1.00 0.33 C ATOM 428 O ALA A 30 -8.956 2.979 8.728 1.00 0.33 O ATOM 429 CB ALA A 30 -11.780 1.605 7.183 1.00 0.39 C ATOM 0 H ALA A 30 -9.066 2.446 5.607 1.00 0.29 H new ATOM 0 HA ALA A 30 -10.895 3.565 7.235 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -12.138 1.646 8.212 1.00 0.39 H new ATOM 0 HB2 ALA A 30 -12.578 1.914 6.509 1.00 0.39 H new ATOM 0 HB3 ALA A 30 -11.478 0.585 6.944 1.00 0.39 H new ATOM 435 N GLY A 31 -9.154 0.837 8.049 1.00 0.34 N ATOM 436 CA GLY A 31 -8.148 0.221 8.919 1.00 0.34 C ATOM 437 C GLY A 31 -6.879 1.056 9.063 1.00 0.29 C ATOM 438 O GLY A 31 -6.326 1.175 10.155 1.00 0.33 O ATOM 0 H GLY A 31 -9.608 0.154 7.442 1.00 0.34 H new ATOM 0 HA2 GLY A 31 -8.582 0.059 9.906 1.00 0.34 H new ATOM 0 HA3 GLY A 31 -7.886 -0.759 8.521 1.00 0.34 H new ATOM 442 N VAL A 32 -6.374 1.541 7.924 1.00 0.24 N ATOM 443 CA VAL A 32 -5.102 2.209 7.810 1.00 0.21 C ATOM 444 C VAL A 32 -5.111 3.567 8.506 1.00 0.23 C ATOM 445 O VAL A 32 -5.893 4.448 8.160 1.00 0.30 O ATOM 446 CB VAL A 32 -4.623 2.228 6.358 1.00 0.25 C ATOM 447 CG1 VAL A 32 -5.693 2.417 5.298 1.00 0.30 C ATOM 448 CG2 VAL A 32 -3.550 3.283 6.136 1.00 0.31 C ATOM 0 H VAL A 32 -6.867 1.470 7.034 1.00 0.24 H new ATOM 0 HA VAL A 32 -4.350 1.635 8.352 1.00 0.21 H new ATOM 0 HB VAL A 32 -4.231 1.219 6.226 1.00 0.25 H new ATOM 0 HG11 VAL A 32 -5.232 2.413 4.310 1.00 0.30 H new ATOM 0 HG12 VAL A 32 -6.417 1.605 5.363 1.00 0.30 H new ATOM 0 HG13 VAL A 32 -6.200 3.369 5.458 1.00 0.30 H new ATOM 0 HG21 VAL A 32 -3.234 3.267 5.093 1.00 0.31 H new ATOM 0 HG22 VAL A 32 -3.952 4.267 6.378 1.00 0.31 H new ATOM 0 HG23 VAL A 32 -2.694 3.072 6.777 1.00 0.31 H new ATOM 458 N ASN A 33 -4.198 3.723 9.465 1.00 0.22 N ATOM 459 CA ASN A 33 -4.042 4.921 10.270 1.00 0.30 C ATOM 460 C ASN A 33 -2.915 5.755 9.686 1.00 0.28 C ATOM 461 O ASN A 33 -3.111 6.928 9.372 1.00 0.39 O ATOM 462 CB ASN A 33 -3.735 4.511 11.714 1.00 0.39 C ATOM 463 CG ASN A 33 -4.969 3.881 12.352 1.00 0.75 C ATOM 464 OD1 ASN A 33 -6.050 4.458 12.317 1.00 1.04 O ATOM 465 ND2 ASN A 33 -4.845 2.698 12.937 1.00 1.03 N ATOM 0 H ASN A 33 -3.528 2.992 9.706 1.00 0.22 H new ATOM 0 HA ASN A 33 -4.955 5.516 10.266 1.00 0.30 H new ATOM 0 HB2 ASN A 33 -2.906 3.804 11.731 1.00 0.39 H new ATOM 0 HB3 ASN A 33 -3.423 5.382 12.289 1.00 0.39 H new ATOM 0 HD21 ASN A 33 -5.656 2.254 13.367 1.00 1.03 H new ATOM 0 HD22 ASN A 33 -3.938 2.232 12.957 1.00 1.03 H new ATOM 472 N GLN A 34 -1.743 5.137 9.514 1.00 0.22 N ATOM 473 CA GLN A 34 -0.619 5.730 8.809 1.00 0.25 C ATOM 474 C GLN A 34 -0.338 4.833 7.606 1.00 0.30 C ATOM 475 O GLN A 34 -0.280 3.612 7.745 1.00 0.45 O ATOM 476 CB GLN A 34 0.594 5.837 9.744 1.00 0.30 C ATOM 477 CG GLN A 34 1.709 6.731 9.194 1.00 0.35 C ATOM 478 CD GLN A 34 1.416 8.206 9.443 1.00 0.49 C ATOM 479 OE1 GLN A 34 0.912 8.906 8.572 1.00 1.16 O ATOM 480 NE2 GLN A 34 1.720 8.687 10.646 1.00 1.86 N ATOM 0 H GLN A 34 -1.553 4.199 9.867 1.00 0.22 H new ATOM 0 HA GLN A 34 -0.839 6.744 8.474 1.00 0.25 H new ATOM 0 HB2 GLN A 34 0.267 6.228 10.708 1.00 0.30 H new ATOM 0 HB3 GLN A 34 0.994 4.839 9.924 1.00 0.30 H new ATOM 0 HG2 GLN A 34 2.656 6.463 9.662 1.00 0.35 H new ATOM 0 HG3 GLN A 34 1.822 6.557 8.124 1.00 0.35 H new ATOM 0 HE21 GLN A 34 2.139 8.077 11.348 1.00 1.86 H new ATOM 0 HE22 GLN A 34 1.534 9.666 10.866 1.00 1.86 H new ATOM 489 N VAL A 35 -0.186 5.432 6.427 1.00 0.37 N ATOM 490 CA VAL A 35 0.272 4.752 5.227 1.00 0.44 C ATOM 491 C VAL A 35 1.655 5.301 4.906 1.00 0.38 C ATOM 492 O VAL A 35 1.915 6.479 5.143 1.00 0.52 O ATOM 493 CB VAL A 35 -0.730 4.966 4.079 1.00 0.80 C ATOM 494 CG1 VAL A 35 -1.031 6.443 3.801 1.00 1.06 C ATOM 495 CG2 VAL A 35 -0.241 4.287 2.795 1.00 2.30 C ATOM 0 H VAL A 35 -0.383 6.422 6.281 1.00 0.37 H new ATOM 0 HA VAL A 35 0.336 3.674 5.373 1.00 0.44 H new ATOM 0 HB VAL A 35 -1.662 4.507 4.408 1.00 0.80 H new ATOM 0 HG11 VAL A 35 -1.744 6.521 2.980 1.00 1.06 H new ATOM 0 HG12 VAL A 35 -1.454 6.902 4.694 1.00 1.06 H new ATOM 0 HG13 VAL A 35 -0.109 6.958 3.530 1.00 1.06 H new ATOM 0 HG21 VAL A 35 -0.966 4.452 1.998 1.00 2.30 H new ATOM 0 HG22 VAL A 35 0.721 4.709 2.504 1.00 2.30 H new ATOM 0 HG23 VAL A 35 -0.130 3.217 2.969 1.00 2.30 H new ATOM 505 N GLN A 36 2.540 4.457 4.377 1.00 0.29 N ATOM 506 CA GLN A 36 3.854 4.868 3.926 1.00 0.35 C ATOM 507 C GLN A 36 4.176 4.104 2.642 1.00 0.35 C ATOM 508 O GLN A 36 4.592 2.947 2.690 1.00 0.42 O ATOM 509 CB GLN A 36 4.874 4.607 5.038 1.00 0.37 C ATOM 510 CG GLN A 36 6.256 5.152 4.656 1.00 0.55 C ATOM 511 CD GLN A 36 7.294 4.862 5.730 1.00 0.84 C ATOM 512 OE1 GLN A 36 7.960 5.762 6.228 1.00 1.89 O ATOM 513 NE2 GLN A 36 7.450 3.594 6.093 1.00 0.65 N ATOM 0 H GLN A 36 2.356 3.462 4.252 1.00 0.29 H new ATOM 0 HA GLN A 36 3.888 5.935 3.705 1.00 0.35 H new ATOM 0 HB2 GLN A 36 4.537 5.076 5.963 1.00 0.37 H new ATOM 0 HB3 GLN A 36 4.942 3.536 5.230 1.00 0.37 H new ATOM 0 HG2 GLN A 36 6.574 4.707 3.713 1.00 0.55 H new ATOM 0 HG3 GLN A 36 6.191 6.228 4.495 1.00 0.55 H new ATOM 0 HE21 GLN A 36 6.881 2.866 5.661 1.00 0.65 H new ATOM 0 HE22 GLN A 36 8.139 3.348 6.804 1.00 0.65 H new ATOM 522 N VAL A 37 4.003 4.768 1.496 1.00 0.31 N ATOM 523 CA VAL A 37 4.338 4.251 0.180 1.00 0.32 C ATOM 524 C VAL A 37 5.730 4.757 -0.180 1.00 0.29 C ATOM 525 O VAL A 37 5.895 5.935 -0.489 1.00 0.40 O ATOM 526 CB VAL A 37 3.301 4.755 -0.838 1.00 0.54 C ATOM 527 CG1 VAL A 37 3.699 4.346 -2.256 1.00 2.55 C ATOM 528 CG2 VAL A 37 1.917 4.168 -0.563 1.00 1.82 C ATOM 0 H VAL A 37 3.613 5.710 1.465 1.00 0.31 H new ATOM 0 HA VAL A 37 4.329 3.161 0.172 1.00 0.32 H new ATOM 0 HB VAL A 37 3.269 5.840 -0.743 1.00 0.54 H new ATOM 0 HG11 VAL A 37 2.954 4.711 -2.963 1.00 2.55 H new ATOM 0 HG12 VAL A 37 4.671 4.775 -2.499 1.00 2.55 H new ATOM 0 HG13 VAL A 37 3.757 3.259 -2.319 1.00 2.55 H new ATOM 0 HG21 VAL A 37 1.209 4.545 -1.301 1.00 1.82 H new ATOM 0 HG22 VAL A 37 1.964 3.081 -0.627 1.00 1.82 H new ATOM 0 HG23 VAL A 37 1.590 4.459 0.435 1.00 1.82 H new ATOM 538 N LEU A 38 6.726 3.869 -0.167 1.00 0.26 N ATOM 539 CA LEU A 38 8.055 4.167 -0.656 1.00 0.30 C ATOM 540 C LEU A 38 8.176 3.564 -2.054 1.00 0.32 C ATOM 541 O LEU A 38 8.623 2.430 -2.245 1.00 0.38 O ATOM 542 CB LEU A 38 9.102 3.656 0.339 1.00 0.34 C ATOM 543 CG LEU A 38 10.528 4.026 -0.094 1.00 0.43 C ATOM 544 CD1 LEU A 38 10.766 5.541 -0.142 1.00 0.60 C ATOM 545 CD2 LEU A 38 11.530 3.385 0.871 1.00 0.46 C ATOM 0 H LEU A 38 6.623 2.918 0.188 1.00 0.26 H new ATOM 0 HA LEU A 38 8.234 5.239 -0.739 1.00 0.30 H new ATOM 0 HB2 LEU A 38 8.901 4.075 1.325 1.00 0.34 H new ATOM 0 HB3 LEU A 38 9.019 2.573 0.430 1.00 0.34 H new ATOM 0 HG LEU A 38 10.665 3.649 -1.107 1.00 0.43 H new ATOM 0 HD11 LEU A 38 11.791 5.738 -0.454 1.00 0.60 H new ATOM 0 HD12 LEU A 38 10.076 5.995 -0.853 1.00 0.60 H new ATOM 0 HD13 LEU A 38 10.600 5.967 0.847 1.00 0.60 H new ATOM 0 HD21 LEU A 38 12.544 3.645 0.568 1.00 0.46 H new ATOM 0 HD22 LEU A 38 11.348 3.752 1.881 1.00 0.46 H new ATOM 0 HD23 LEU A 38 11.412 2.302 0.852 1.00 0.46 H new ATOM 557 N PHE A 39 7.734 4.346 -3.038 1.00 0.33 N ATOM 558 CA PHE A 39 7.922 4.038 -4.446 1.00 0.36 C ATOM 559 C PHE A 39 9.418 4.024 -4.785 1.00 0.38 C ATOM 560 O PHE A 39 10.244 4.401 -3.952 1.00 0.38 O ATOM 561 CB PHE A 39 7.169 5.072 -5.289 1.00 0.44 C ATOM 562 CG PHE A 39 7.900 6.382 -5.491 1.00 0.32 C ATOM 563 CD1 PHE A 39 7.858 7.403 -4.523 1.00 1.62 C ATOM 564 CD2 PHE A 39 8.631 6.576 -6.675 1.00 1.90 C ATOM 565 CE1 PHE A 39 8.421 8.658 -4.808 1.00 1.68 C ATOM 566 CE2 PHE A 39 9.209 7.821 -6.950 1.00 1.92 C ATOM 567 CZ PHE A 39 9.050 8.880 -6.046 1.00 0.60 C ATOM 0 H PHE A 39 7.231 5.218 -2.874 1.00 0.33 H new ATOM 0 HA PHE A 39 7.523 3.049 -4.669 1.00 0.36 H new ATOM 0 HB2 PHE A 39 6.955 4.637 -6.265 1.00 0.44 H new ATOM 0 HB3 PHE A 39 6.209 5.277 -4.814 1.00 0.44 H new ATOM 0 HD1 PHE A 39 7.395 7.222 -3.564 1.00 1.62 H new ATOM 0 HD2 PHE A 39 8.747 5.762 -7.375 1.00 1.90 H new ATOM 0 HE1 PHE A 39 8.371 9.452 -4.077 1.00 1.68 H new ATOM 0 HE2 PHE A 39 9.777 7.965 -7.857 1.00 1.92 H new ATOM 0 HZ PHE A 39 9.410 9.866 -6.300 1.00 0.60 H new ATOM 577 N ALA A 40 9.763 3.599 -6.007 1.00 0.41 N ATOM 578 CA ALA A 40 11.134 3.439 -6.483 1.00 0.41 C ATOM 579 C ALA A 40 11.810 2.287 -5.740 1.00 0.41 C ATOM 580 O ALA A 40 12.058 1.238 -6.327 1.00 0.71 O ATOM 581 CB ALA A 40 11.929 4.753 -6.430 1.00 0.45 C ATOM 0 H ALA A 40 9.069 3.350 -6.712 1.00 0.41 H new ATOM 0 HA ALA A 40 11.108 3.176 -7.540 1.00 0.41 H new ATOM 0 HB1 ALA A 40 12.942 4.580 -6.794 1.00 0.45 H new ATOM 0 HB2 ALA A 40 11.440 5.499 -7.056 1.00 0.45 H new ATOM 0 HB3 ALA A 40 11.970 5.112 -5.402 1.00 0.45 H new ATOM 587 N THR A 41 12.015 2.420 -4.430 1.00 0.34 N ATOM 588 CA THR A 41 12.428 1.334 -3.548 1.00 0.31 C ATOM 589 C THR A 41 11.196 0.480 -3.197 1.00 0.53 C ATOM 590 O THR A 41 10.890 0.267 -2.026 1.00 1.43 O ATOM 591 CB THR A 41 13.138 1.915 -2.319 1.00 0.60 C ATOM 592 OG1 THR A 41 13.997 2.951 -2.748 1.00 1.37 O ATOM 593 CG2 THR A 41 13.979 0.859 -1.595 1.00 0.85 C ATOM 0 H THR A 41 11.895 3.308 -3.943 1.00 0.34 H new ATOM 0 HA THR A 41 13.145 0.676 -4.039 1.00 0.31 H new ATOM 0 HB THR A 41 12.379 2.281 -1.628 1.00 0.60 H new ATOM 0 HG1 THR A 41 14.458 3.335 -1.973 1.00 1.37 H new ATOM 0 HG21 THR A 41 14.465 1.311 -0.731 1.00 0.85 H new ATOM 0 HG22 THR A 41 13.334 0.045 -1.264 1.00 0.85 H new ATOM 0 HG23 THR A 41 14.737 0.469 -2.275 1.00 0.85 H new ATOM 601 N GLU A 42 10.513 0.039 -4.257 1.00 0.41 N ATOM 602 CA GLU A 42 9.278 -0.726 -4.399 1.00 0.45 C ATOM 603 C GLU A 42 8.632 -1.345 -3.143 1.00 0.38 C ATOM 604 O GLU A 42 8.325 -2.540 -3.151 1.00 0.50 O ATOM 605 CB GLU A 42 9.536 -1.773 -5.500 1.00 0.84 C ATOM 606 CG GLU A 42 10.717 -2.710 -5.186 1.00 1.59 C ATOM 607 CD GLU A 42 10.915 -3.774 -6.264 1.00 2.23 C ATOM 608 OE1 GLU A 42 10.711 -3.434 -7.451 1.00 2.77 O ATOM 609 OE2 GLU A 42 11.292 -4.903 -5.881 1.00 3.39 O ATOM 0 H GLU A 42 10.881 0.249 -5.185 1.00 0.41 H new ATOM 0 HA GLU A 42 8.505 -0.002 -4.656 1.00 0.45 H new ATOM 0 HB2 GLU A 42 8.635 -2.370 -5.642 1.00 0.84 H new ATOM 0 HB3 GLU A 42 9.729 -1.259 -6.442 1.00 0.84 H new ATOM 0 HG2 GLU A 42 11.629 -2.121 -5.088 1.00 1.59 H new ATOM 0 HG3 GLU A 42 10.547 -3.196 -4.225 1.00 1.59 H new ATOM 616 N LYS A 43 8.294 -0.560 -2.112 1.00 0.28 N ATOM 617 CA LYS A 43 7.643 -1.106 -0.927 1.00 0.29 C ATOM 618 C LYS A 43 6.716 -0.095 -0.292 1.00 0.29 C ATOM 619 O LYS A 43 6.960 1.110 -0.294 1.00 0.41 O ATOM 620 CB LYS A 43 8.688 -1.660 0.060 1.00 0.40 C ATOM 621 CG LYS A 43 8.258 -1.801 1.526 1.00 1.37 C ATOM 622 CD LYS A 43 8.209 -0.448 2.263 1.00 0.73 C ATOM 623 CE LYS A 43 8.998 -0.471 3.575 1.00 1.22 C ATOM 624 NZ LYS A 43 10.453 -0.438 3.328 1.00 2.28 N ATOM 0 H LYS A 43 8.461 0.446 -2.079 1.00 0.28 H new ATOM 0 HA LYS A 43 7.016 -1.944 -1.231 1.00 0.29 H new ATOM 0 HB2 LYS A 43 9.003 -2.641 -0.296 1.00 0.40 H new ATOM 0 HB3 LYS A 43 9.564 -1.012 0.025 1.00 0.40 H new ATOM 0 HG2 LYS A 43 7.275 -2.269 1.569 1.00 1.37 H new ATOM 0 HG3 LYS A 43 8.951 -2.466 2.041 1.00 1.37 H new ATOM 0 HD2 LYS A 43 8.610 0.331 1.614 1.00 0.73 H new ATOM 0 HD3 LYS A 43 7.171 -0.187 2.470 1.00 0.73 H new ATOM 0 HE2 LYS A 43 8.712 0.383 4.189 1.00 1.22 H new ATOM 0 HE3 LYS A 43 8.743 -1.368 4.139 1.00 1.22 H new ATOM 0 HZ1 LYS A 43 10.960 -0.455 4.236 1.00 2.28 H new ATOM 0 HZ2 LYS A 43 10.728 -1.267 2.763 1.00 2.28 H new ATOM 0 HZ3 LYS A 43 10.698 0.431 2.811 1.00 2.28 H new ATOM 638 N LEU A 44 5.639 -0.612 0.283 1.00 0.29 N ATOM 639 CA LEU A 44 4.581 0.129 0.869 1.00 0.22 C ATOM 640 C LEU A 44 4.287 -0.571 2.192 1.00 0.33 C ATOM 641 O LEU A 44 4.121 -1.781 2.219 1.00 0.72 O ATOM 642 CB LEU A 44 3.497 0.030 -0.191 1.00 0.23 C ATOM 643 CG LEU A 44 2.093 0.031 0.327 1.00 0.58 C ATOM 644 CD1 LEU A 44 1.836 1.164 1.298 1.00 0.82 C ATOM 645 CD2 LEU A 44 1.201 0.085 -0.882 1.00 0.83 C ATOM 0 H LEU A 44 5.492 -1.619 0.346 1.00 0.29 H new ATOM 0 HA LEU A 44 4.742 1.179 1.113 1.00 0.22 H new ATOM 0 HB2 LEU A 44 3.612 0.864 -0.883 1.00 0.23 H new ATOM 0 HB3 LEU A 44 3.655 -0.884 -0.764 1.00 0.23 H new ATOM 0 HG LEU A 44 1.892 -0.867 0.911 1.00 0.58 H new ATOM 0 HD11 LEU A 44 0.803 1.119 1.644 1.00 0.82 H new ATOM 0 HD12 LEU A 44 2.509 1.072 2.151 1.00 0.82 H new ATOM 0 HD13 LEU A 44 2.011 2.117 0.799 1.00 0.82 H new ATOM 0 HD21 LEU A 44 0.158 0.088 -0.565 1.00 0.83 H new ATOM 0 HD22 LEU A 44 1.411 0.992 -1.449 1.00 0.83 H new ATOM 0 HD23 LEU A 44 1.387 -0.786 -1.510 1.00 0.83 H new ATOM 657 N VAL A 45 4.274 0.197 3.276 1.00 0.20 N ATOM 658 CA VAL A 45 4.061 -0.166 4.657 1.00 0.20 C ATOM 659 C VAL A 45 2.776 0.533 5.069 1.00 0.22 C ATOM 660 O VAL A 45 2.524 1.668 4.654 1.00 0.24 O ATOM 661 CB VAL A 45 5.264 0.293 5.506 1.00 0.25 C ATOM 662 CG1 VAL A 45 4.892 0.740 6.927 1.00 0.26 C ATOM 663 CG2 VAL A 45 6.260 -0.858 5.620 1.00 0.35 C ATOM 0 H VAL A 45 4.431 1.201 3.189 1.00 0.20 H new ATOM 0 HA VAL A 45 3.973 -1.243 4.801 1.00 0.20 H new ATOM 0 HB VAL A 45 5.685 1.159 4.994 1.00 0.25 H new ATOM 0 HG11 VAL A 45 5.792 1.047 7.459 1.00 0.26 H new ATOM 0 HG12 VAL A 45 4.197 1.578 6.875 1.00 0.26 H new ATOM 0 HG13 VAL A 45 4.422 -0.088 7.458 1.00 0.26 H new ATOM 0 HG21 VAL A 45 7.114 -0.542 6.219 1.00 0.35 H new ATOM 0 HG22 VAL A 45 5.777 -1.711 6.098 1.00 0.35 H new ATOM 0 HG23 VAL A 45 6.601 -1.144 4.625 1.00 0.35 H new ATOM 673 N VAL A 46 1.966 -0.149 5.870 1.00 0.27 N ATOM 674 CA VAL A 46 0.734 0.383 6.401 1.00 0.26 C ATOM 675 C VAL A 46 0.666 0.029 7.878 1.00 0.27 C ATOM 676 O VAL A 46 0.829 -1.139 8.231 1.00 0.36 O ATOM 677 CB VAL A 46 -0.441 -0.217 5.628 1.00 0.33 C ATOM 678 CG1 VAL A 46 -1.753 0.131 6.314 1.00 0.70 C ATOM 679 CG2 VAL A 46 -0.503 0.341 4.207 1.00 0.31 C ATOM 0 H VAL A 46 2.158 -1.105 6.169 1.00 0.27 H new ATOM 0 HA VAL A 46 0.690 1.467 6.294 1.00 0.26 H new ATOM 0 HB VAL A 46 -0.293 -1.297 5.599 1.00 0.33 H new ATOM 0 HG11 VAL A 46 -2.582 -0.302 5.754 1.00 0.70 H new ATOM 0 HG12 VAL A 46 -1.751 -0.270 7.328 1.00 0.70 H new ATOM 0 HG13 VAL A 46 -1.867 1.214 6.352 1.00 0.70 H new ATOM 0 HG21 VAL A 46 -1.347 -0.102 3.679 1.00 0.31 H new ATOM 0 HG22 VAL A 46 -0.627 1.423 4.246 1.00 0.31 H new ATOM 0 HG23 VAL A 46 0.421 0.100 3.681 1.00 0.31 H new ATOM 689 N ASP A 47 0.390 1.037 8.704 1.00 0.26 N ATOM 690 CA ASP A 47 0.107 0.891 10.112 1.00 0.27 C ATOM 691 C ASP A 47 -1.410 0.956 10.199 1.00 0.21 C ATOM 692 O ASP A 47 -1.999 2.030 10.031 1.00 0.27 O ATOM 693 CB ASP A 47 0.767 2.027 10.890 1.00 0.35 C ATOM 694 CG ASP A 47 2.290 1.980 10.833 1.00 0.84 C ATOM 695 OD1 ASP A 47 2.841 0.866 10.979 1.00 1.82 O ATOM 696 OD2 ASP A 47 2.879 3.067 10.649 1.00 2.26 O ATOM 0 H ASP A 47 0.359 2.007 8.390 1.00 0.26 H new ATOM 0 HA ASP A 47 0.492 -0.035 10.538 1.00 0.27 H new ATOM 0 HB2 ASP A 47 0.423 2.981 10.491 1.00 0.35 H new ATOM 0 HB3 ASP A 47 0.446 1.982 11.931 1.00 0.35 H new ATOM 701 N ALA A 48 -2.040 -0.207 10.368 1.00 0.23 N ATOM 702 CA ALA A 48 -3.483 -0.326 10.448 1.00 0.27 C ATOM 703 C ALA A 48 -3.830 -1.026 11.743 1.00 0.40 C ATOM 704 O ALA A 48 -3.417 -2.164 11.962 1.00 0.67 O ATOM 705 CB ALA A 48 -4.030 -1.130 9.275 1.00 0.32 C ATOM 0 H ALA A 48 -1.551 -1.098 10.453 1.00 0.23 H new ATOM 0 HA ALA A 48 -3.928 0.668 10.414 1.00 0.27 H new ATOM 0 HB1 ALA A 48 -5.114 -1.204 9.359 1.00 0.32 H new ATOM 0 HB2 ALA A 48 -3.772 -0.632 8.341 1.00 0.32 H new ATOM 0 HB3 ALA A 48 -3.596 -2.130 9.285 1.00 0.32 H new ATOM 711 N ASP A 49 -4.634 -0.371 12.573 1.00 0.40 N ATOM 712 CA ASP A 49 -4.944 -0.884 13.901 1.00 0.55 C ATOM 713 C ASP A 49 -6.301 -1.590 13.778 1.00 0.53 C ATOM 714 O ASP A 49 -7.251 -1.269 14.487 1.00 0.59 O ATOM 715 CB ASP A 49 -4.898 0.221 14.990 1.00 0.68 C ATOM 716 CG ASP A 49 -3.559 0.967 15.167 1.00 1.41 C ATOM 717 OD1 ASP A 49 -2.937 1.292 14.133 1.00 2.51 O ATOM 718 OD2 ASP A 49 -3.179 1.271 16.327 1.00 2.46 O ATOM 0 H ASP A 49 -5.083 0.517 12.349 1.00 0.40 H new ATOM 0 HA ASP A 49 -4.190 -1.594 14.242 1.00 0.55 H new ATOM 0 HB2 ASP A 49 -5.669 0.956 14.761 1.00 0.68 H new ATOM 0 HB3 ASP A 49 -5.164 -0.232 15.945 1.00 0.68 H new ATOM 723 N ASN A 50 -6.382 -2.561 12.854 1.00 0.53 N ATOM 724 CA ASN A 50 -7.550 -3.415 12.639 1.00 0.50 C ATOM 725 C ASN A 50 -7.131 -4.643 11.834 1.00 0.56 C ATOM 726 O ASN A 50 -7.087 -5.742 12.374 1.00 1.12 O ATOM 727 CB ASN A 50 -8.681 -2.654 11.923 1.00 0.59 C ATOM 728 CG ASN A 50 -9.905 -3.545 11.696 1.00 1.72 C ATOM 729 OD1 ASN A 50 -10.790 -3.601 12.542 1.00 2.31 O ATOM 730 ND2 ASN A 50 -10.000 -4.241 10.564 1.00 2.57 N ATOM 0 H ASN A 50 -5.612 -2.776 12.220 1.00 0.53 H new ATOM 0 HA ASN A 50 -7.938 -3.729 13.608 1.00 0.50 H new ATOM 0 HB2 ASN A 50 -8.968 -1.785 12.516 1.00 0.59 H new ATOM 0 HB3 ASN A 50 -8.319 -2.281 10.965 1.00 0.59 H new ATOM 0 HD21 ASN A 50 -10.816 -4.829 10.394 1.00 2.57 H new ATOM 0 HD22 ASN A 50 -9.257 -4.186 9.868 1.00 2.57 H new ATOM 737 N ASP A 51 -6.818 -4.401 10.554 1.00 0.82 N ATOM 738 CA ASP A 51 -6.493 -5.322 9.463 1.00 0.74 C ATOM 739 C ASP A 51 -7.254 -4.850 8.234 1.00 0.57 C ATOM 740 O ASP A 51 -8.484 -4.796 8.248 1.00 0.91 O ATOM 741 CB ASP A 51 -6.857 -6.784 9.700 1.00 0.98 C ATOM 742 CG ASP A 51 -6.470 -7.642 8.489 1.00 1.07 C ATOM 743 OD1 ASP A 51 -7.269 -7.709 7.538 1.00 2.00 O ATOM 744 OD2 ASP A 51 -5.353 -8.217 8.488 1.00 2.13 O ATOM 0 H ASP A 51 -6.783 -3.437 10.222 1.00 0.82 H new ATOM 0 HA ASP A 51 -5.408 -5.300 9.359 1.00 0.74 H new ATOM 0 HB2 ASP A 51 -6.347 -7.151 10.590 1.00 0.98 H new ATOM 0 HB3 ASP A 51 -7.927 -6.872 9.887 1.00 0.98 H new ATOM 749 N ILE A 52 -6.508 -4.456 7.209 1.00 0.42 N ATOM 750 CA ILE A 52 -7.037 -4.107 5.901 1.00 0.31 C ATOM 751 C ILE A 52 -6.082 -4.500 4.783 1.00 0.28 C ATOM 752 O ILE A 52 -6.346 -4.185 3.637 1.00 0.29 O ATOM 753 CB ILE A 52 -7.303 -2.599 5.826 1.00 0.30 C ATOM 754 CG1 ILE A 52 -6.188 -1.760 6.461 1.00 0.35 C ATOM 755 CG2 ILE A 52 -8.608 -2.230 6.503 1.00 0.38 C ATOM 756 CD1 ILE A 52 -4.965 -1.712 5.569 1.00 0.36 C ATOM 0 H ILE A 52 -5.493 -4.369 7.268 1.00 0.42 H new ATOM 0 HA ILE A 52 -7.967 -4.659 5.769 1.00 0.31 H new ATOM 0 HB ILE A 52 -7.350 -2.373 4.761 1.00 0.30 H new ATOM 0 HG12 ILE A 52 -6.549 -0.748 6.643 1.00 0.35 H new ATOM 0 HG13 ILE A 52 -5.919 -2.181 7.430 1.00 0.35 H new ATOM 0 HG21 ILE A 52 -8.764 -1.154 6.430 1.00 0.38 H new ATOM 0 HG22 ILE A 52 -9.432 -2.750 6.013 1.00 0.38 H new ATOM 0 HG23 ILE A 52 -8.568 -2.521 7.553 1.00 0.38 H new ATOM 0 HD11 ILE A 52 -4.191 -1.110 6.045 1.00 0.36 H new ATOM 0 HD12 ILE A 52 -4.591 -2.723 5.409 1.00 0.36 H new ATOM 0 HD13 ILE A 52 -5.231 -1.268 4.610 1.00 0.36 H new ATOM 768 N ARG A 53 -4.952 -5.139 5.067 1.00 0.48 N ATOM 769 CA ARG A 53 -3.925 -5.417 4.068 1.00 0.38 C ATOM 770 C ARG A 53 -4.490 -6.139 2.848 1.00 0.26 C ATOM 771 O ARG A 53 -4.084 -5.877 1.723 1.00 0.26 O ATOM 772 CB ARG A 53 -2.777 -6.233 4.670 1.00 0.48 C ATOM 773 CG ARG A 53 -3.340 -7.140 5.744 1.00 0.79 C ATOM 774 CD ARG A 53 -2.596 -8.436 5.913 1.00 1.23 C ATOM 775 NE ARG A 53 -3.354 -9.186 6.935 1.00 1.65 N ATOM 776 CZ ARG A 53 -3.958 -10.366 6.754 1.00 2.46 C ATOM 777 NH1 ARG A 53 -3.474 -11.252 5.879 1.00 2.96 N ATOM 778 NH2 ARG A 53 -5.068 -10.615 7.452 1.00 3.00 N ATOM 0 H ARG A 53 -4.721 -5.480 6.000 1.00 0.48 H new ATOM 0 HA ARG A 53 -3.541 -4.452 3.739 1.00 0.38 H new ATOM 0 HB2 ARG A 53 -2.286 -6.823 3.896 1.00 0.48 H new ATOM 0 HB3 ARG A 53 -2.022 -5.570 5.092 1.00 0.48 H new ATOM 0 HG2 ARG A 53 -3.335 -6.605 6.694 1.00 0.79 H new ATOM 0 HG3 ARG A 53 -4.381 -7.360 5.508 1.00 0.79 H new ATOM 0 HD2 ARG A 53 -2.548 -8.988 4.974 1.00 1.23 H new ATOM 0 HD3 ARG A 53 -1.569 -8.262 6.233 1.00 1.23 H new ATOM 0 HE ARG A 53 -3.423 -8.767 7.862 1.00 1.65 H new ATOM 0 HH11 ARG A 53 -2.636 -11.032 5.341 1.00 2.96 H new ATOM 0 HH12 ARG A 53 -3.943 -12.149 5.749 1.00 2.96 H new ATOM 0 HH21 ARG A 53 -5.431 -9.915 8.100 1.00 3.00 H new ATOM 0 HH22 ARG A 53 -5.553 -11.505 7.338 1.00 3.00 H new ATOM 792 N ALA A 54 -5.439 -7.045 3.064 1.00 0.32 N ATOM 793 CA ALA A 54 -6.088 -7.735 1.966 1.00 0.30 C ATOM 794 C ALA A 54 -7.004 -6.776 1.179 1.00 0.26 C ATOM 795 O ALA A 54 -7.141 -6.891 -0.038 1.00 0.38 O ATOM 796 CB ALA A 54 -6.751 -8.988 2.514 1.00 0.41 C ATOM 0 H ALA A 54 -5.772 -7.315 3.990 1.00 0.32 H new ATOM 0 HA ALA A 54 -5.370 -8.072 1.218 1.00 0.30 H new ATOM 0 HB1 ALA A 54 -7.246 -9.522 1.703 1.00 0.41 H new ATOM 0 HB2 ALA A 54 -5.996 -9.632 2.965 1.00 0.41 H new ATOM 0 HB3 ALA A 54 -7.488 -8.710 3.268 1.00 0.41 H new ATOM 802 N GLN A 55 -7.567 -5.763 1.850 1.00 0.23 N ATOM 803 CA GLN A 55 -8.166 -4.623 1.171 1.00 0.20 C ATOM 804 C GLN A 55 -7.110 -3.839 0.390 1.00 0.18 C ATOM 805 O GLN A 55 -7.320 -3.557 -0.786 1.00 0.20 O ATOM 806 CB GLN A 55 -8.992 -3.731 2.114 1.00 0.30 C ATOM 807 CG GLN A 55 -10.467 -4.147 2.164 1.00 0.69 C ATOM 808 CD GLN A 55 -10.658 -5.562 2.697 1.00 1.84 C ATOM 809 OE1 GLN A 55 -10.946 -6.482 1.940 1.00 3.45 O ATOM 810 NE2 GLN A 55 -10.510 -5.748 4.005 1.00 1.66 N ATOM 0 H GLN A 55 -7.617 -5.717 2.868 1.00 0.23 H new ATOM 0 HA GLN A 55 -8.883 -5.015 0.450 1.00 0.20 H new ATOM 0 HB2 GLN A 55 -8.569 -3.778 3.118 1.00 0.30 H new ATOM 0 HB3 GLN A 55 -8.920 -2.694 1.786 1.00 0.30 H new ATOM 0 HG2 GLN A 55 -11.017 -3.448 2.794 1.00 0.69 H new ATOM 0 HG3 GLN A 55 -10.894 -4.079 1.164 1.00 0.69 H new ATOM 0 HE21 GLN A 55 -10.270 -4.961 4.608 1.00 1.66 H new ATOM 0 HE22 GLN A 55 -10.636 -6.678 4.405 1.00 1.66 H new ATOM 819 N VAL A 56 -5.979 -3.500 1.015 1.00 0.18 N ATOM 820 CA VAL A 56 -4.902 -2.766 0.362 1.00 0.18 C ATOM 821 C VAL A 56 -4.534 -3.453 -0.941 1.00 0.20 C ATOM 822 O VAL A 56 -4.509 -2.831 -1.995 1.00 0.23 O ATOM 823 CB VAL A 56 -3.651 -2.639 1.219 1.00 0.23 C ATOM 824 CG1 VAL A 56 -2.511 -1.976 0.430 1.00 0.26 C ATOM 825 CG2 VAL A 56 -4.003 -1.852 2.475 1.00 0.35 C ATOM 0 H VAL A 56 -5.788 -3.729 1.990 1.00 0.18 H new ATOM 0 HA VAL A 56 -5.278 -1.758 0.185 1.00 0.18 H new ATOM 0 HB VAL A 56 -3.295 -3.628 1.507 1.00 0.23 H new ATOM 0 HG11 VAL A 56 -1.628 -1.896 1.064 1.00 0.26 H new ATOM 0 HG12 VAL A 56 -2.275 -2.580 -0.446 1.00 0.26 H new ATOM 0 HG13 VAL A 56 -2.820 -0.980 0.112 1.00 0.26 H new ATOM 0 HG21 VAL A 56 -3.117 -1.751 3.102 1.00 0.35 H new ATOM 0 HG22 VAL A 56 -4.364 -0.862 2.195 1.00 0.35 H new ATOM 0 HG23 VAL A 56 -4.781 -2.379 3.028 1.00 0.35 H new ATOM 835 N GLU A 57 -4.210 -4.738 -0.846 1.00 0.23 N ATOM 836 CA GLU A 57 -3.617 -5.467 -1.940 1.00 0.24 C ATOM 837 C GLU A 57 -4.628 -5.599 -3.079 1.00 0.26 C ATOM 838 O GLU A 57 -4.327 -5.244 -4.220 1.00 0.29 O ATOM 839 CB GLU A 57 -2.984 -6.748 -1.378 1.00 0.31 C ATOM 840 CG GLU A 57 -3.956 -7.882 -1.043 1.00 0.74 C ATOM 841 CD GLU A 57 -4.301 -8.787 -2.220 1.00 1.86 C ATOM 842 OE1 GLU A 57 -3.837 -8.486 -3.339 1.00 3.07 O ATOM 843 OE2 GLU A 57 -5.022 -9.774 -1.966 1.00 2.55 O ATOM 0 H GLU A 57 -4.355 -5.296 -0.004 1.00 0.23 H new ATOM 0 HA GLU A 57 -2.787 -4.945 -2.417 1.00 0.24 H new ATOM 0 HB2 GLU A 57 -2.258 -7.119 -2.102 1.00 0.31 H new ATOM 0 HB3 GLU A 57 -2.431 -6.491 -0.475 1.00 0.31 H new ATOM 0 HG2 GLU A 57 -3.525 -8.490 -0.248 1.00 0.74 H new ATOM 0 HG3 GLU A 57 -4.877 -7.450 -0.651 1.00 0.74 H new ATOM 850 N SER A 58 -5.874 -5.951 -2.744 1.00 0.27 N ATOM 851 CA SER A 58 -6.980 -5.921 -3.688 1.00 0.35 C ATOM 852 C SER A 58 -7.112 -4.530 -4.325 1.00 0.37 C ATOM 853 O SER A 58 -7.315 -4.409 -5.533 1.00 0.43 O ATOM 854 CB SER A 58 -8.271 -6.337 -2.970 1.00 0.42 C ATOM 855 OG SER A 58 -9.322 -6.521 -3.900 1.00 0.89 O ATOM 0 H SER A 58 -6.137 -6.264 -1.809 1.00 0.27 H new ATOM 0 HA SER A 58 -6.788 -6.627 -4.496 1.00 0.35 H new ATOM 0 HB2 SER A 58 -8.103 -7.260 -2.415 1.00 0.42 H new ATOM 0 HB3 SER A 58 -8.551 -5.575 -2.243 1.00 0.42 H new ATOM 0 HG SER A 58 -10.137 -6.787 -3.425 1.00 0.89 H new ATOM 861 N ALA A 59 -6.994 -3.471 -3.519 1.00 0.36 N ATOM 862 CA ALA A 59 -7.209 -2.100 -3.976 1.00 0.42 C ATOM 863 C ALA A 59 -6.116 -1.691 -4.960 1.00 0.37 C ATOM 864 O ALA A 59 -6.394 -1.152 -6.028 1.00 0.38 O ATOM 865 CB ALA A 59 -7.269 -1.134 -2.789 1.00 0.48 C ATOM 0 H ALA A 59 -6.747 -3.543 -2.532 1.00 0.36 H new ATOM 0 HA ALA A 59 -8.168 -2.054 -4.492 1.00 0.42 H new ATOM 0 HB1 ALA A 59 -7.430 -0.119 -3.153 1.00 0.48 H new ATOM 0 HB2 ALA A 59 -8.090 -1.417 -2.130 1.00 0.48 H new ATOM 0 HB3 ALA A 59 -6.330 -1.177 -2.237 1.00 0.48 H new ATOM 871 N LEU A 60 -4.864 -1.959 -4.601 1.00 0.33 N ATOM 872 CA LEU A 60 -3.696 -1.714 -5.429 1.00 0.28 C ATOM 873 C LEU A 60 -3.777 -2.521 -6.715 1.00 0.24 C ATOM 874 O LEU A 60 -3.491 -2.004 -7.792 1.00 0.25 O ATOM 875 CB LEU A 60 -2.433 -2.050 -4.627 1.00 0.28 C ATOM 876 CG LEU A 60 -1.836 -0.769 -4.039 1.00 0.40 C ATOM 877 CD1 LEU A 60 -2.816 0.046 -3.194 1.00 0.55 C ATOM 878 CD2 LEU A 60 -0.650 -1.041 -3.128 1.00 0.69 C ATOM 0 H LEU A 60 -4.631 -2.366 -3.695 1.00 0.33 H new ATOM 0 HA LEU A 60 -3.657 -0.662 -5.712 1.00 0.28 H new ATOM 0 HB2 LEU A 60 -2.675 -2.750 -3.827 1.00 0.28 H new ATOM 0 HB3 LEU A 60 -1.702 -2.541 -5.270 1.00 0.28 H new ATOM 0 HG LEU A 60 -1.546 -0.210 -4.928 1.00 0.40 H new ATOM 0 HD11 LEU A 60 -2.316 0.937 -2.815 1.00 0.55 H new ATOM 0 HD12 LEU A 60 -3.667 0.341 -3.808 1.00 0.55 H new ATOM 0 HD13 LEU A 60 -3.165 -0.559 -2.357 1.00 0.55 H new ATOM 0 HD21 LEU A 60 -0.266 -0.098 -2.739 1.00 0.69 H new ATOM 0 HD22 LEU A 60 -0.966 -1.674 -2.299 1.00 0.69 H new ATOM 0 HD23 LEU A 60 0.134 -1.547 -3.692 1.00 0.69 H new ATOM 890 N GLN A 61 -4.192 -3.779 -6.616 1.00 0.27 N ATOM 891 CA GLN A 61 -4.396 -4.614 -7.778 1.00 0.32 C ATOM 892 C GLN A 61 -5.478 -4.013 -8.680 1.00 0.37 C ATOM 893 O GLN A 61 -5.301 -3.960 -9.894 1.00 0.42 O ATOM 894 CB GLN A 61 -4.694 -6.036 -7.303 1.00 0.35 C ATOM 895 CG GLN A 61 -4.771 -7.002 -8.483 1.00 0.51 C ATOM 896 CD GLN A 61 -4.512 -8.436 -8.041 1.00 1.02 C ATOM 897 OE1 GLN A 61 -5.406 -9.274 -8.062 1.00 1.49 O ATOM 898 NE2 GLN A 61 -3.275 -8.726 -7.646 1.00 1.33 N ATOM 0 H GLN A 61 -4.394 -4.240 -5.729 1.00 0.27 H new ATOM 0 HA GLN A 61 -3.500 -4.661 -8.397 1.00 0.32 H new ATOM 0 HB2 GLN A 61 -3.917 -6.362 -6.611 1.00 0.35 H new ATOM 0 HB3 GLN A 61 -5.636 -6.050 -6.755 1.00 0.35 H new ATOM 0 HG2 GLN A 61 -5.755 -6.934 -8.948 1.00 0.51 H new ATOM 0 HG3 GLN A 61 -4.041 -6.715 -9.239 1.00 0.51 H new ATOM 0 HE21 GLN A 61 -2.558 -8.001 -7.642 1.00 1.33 H new ATOM 0 HE22 GLN A 61 -3.044 -9.673 -7.347 1.00 1.33 H new ATOM 907 N LYS A 62 -6.571 -3.512 -8.095 1.00 0.39 N ATOM 908 CA LYS A 62 -7.590 -2.771 -8.834 1.00 0.45 C ATOM 909 C LYS A 62 -6.987 -1.540 -9.521 1.00 0.45 C ATOM 910 O LYS A 62 -7.238 -1.302 -10.699 1.00 0.53 O ATOM 911 CB LYS A 62 -8.753 -2.360 -7.910 1.00 0.56 C ATOM 912 CG LYS A 62 -10.043 -3.124 -8.219 1.00 1.00 C ATOM 913 CD LYS A 62 -9.936 -4.598 -7.799 1.00 1.79 C ATOM 914 CE LYS A 62 -11.078 -5.444 -8.383 1.00 2.75 C ATOM 915 NZ LYS A 62 -12.414 -4.942 -7.996 1.00 3.43 N ATOM 0 H LYS A 62 -6.771 -3.610 -7.100 1.00 0.39 H new ATOM 0 HA LYS A 62 -7.985 -3.431 -9.606 1.00 0.45 H new ATOM 0 HB2 LYS A 62 -8.469 -2.537 -6.873 1.00 0.56 H new ATOM 0 HB3 LYS A 62 -8.934 -1.290 -8.013 1.00 0.56 H new ATOM 0 HG2 LYS A 62 -10.879 -2.656 -7.699 1.00 1.00 H new ATOM 0 HG3 LYS A 62 -10.257 -3.063 -9.286 1.00 1.00 H new ATOM 0 HD2 LYS A 62 -8.979 -5.001 -8.130 1.00 1.79 H new ATOM 0 HD3 LYS A 62 -9.952 -4.668 -6.711 1.00 1.79 H new ATOM 0 HE2 LYS A 62 -10.999 -5.454 -9.470 1.00 2.75 H new ATOM 0 HE3 LYS A 62 -10.970 -6.475 -8.046 1.00 2.75 H new ATOM 0 HZ1 LYS A 62 -13.145 -5.595 -8.345 1.00 3.43 H new ATOM 0 HZ2 LYS A 62 -12.474 -4.877 -6.960 1.00 3.43 H new ATOM 0 HZ3 LYS A 62 -12.565 -4.000 -8.411 1.00 3.43 H new ATOM 929 N ALA A 63 -6.222 -0.741 -8.775 1.00 0.40 N ATOM 930 CA ALA A 63 -5.597 0.472 -9.285 1.00 0.42 C ATOM 931 C ALA A 63 -4.615 0.153 -10.416 1.00 0.40 C ATOM 932 O ALA A 63 -4.491 0.931 -11.359 1.00 0.48 O ATOM 933 CB ALA A 63 -4.913 1.221 -8.139 1.00 0.40 C ATOM 0 H ALA A 63 -6.020 -0.923 -7.792 1.00 0.40 H new ATOM 0 HA ALA A 63 -6.368 1.117 -9.706 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.447 2.128 -8.524 1.00 0.40 H new ATOM 0 HB2 ALA A 63 -5.654 1.486 -7.384 1.00 0.40 H new ATOM 0 HB3 ALA A 63 -4.151 0.583 -7.691 1.00 0.40 H new ATOM 939 N GLY A 64 -3.934 -0.992 -10.315 1.00 0.36 N ATOM 940 CA GLY A 64 -3.101 -1.566 -11.361 1.00 0.40 C ATOM 941 C GLY A 64 -1.647 -1.707 -10.917 1.00 0.36 C ATOM 942 O GLY A 64 -0.742 -1.388 -11.685 1.00 0.45 O ATOM 0 H GLY A 64 -3.952 -1.561 -9.469 1.00 0.36 H new ATOM 0 HA2 GLY A 64 -3.492 -2.544 -11.641 1.00 0.40 H new ATOM 0 HA3 GLY A 64 -3.150 -0.937 -12.250 1.00 0.40 H new ATOM 946 N TYR A 65 -1.413 -2.190 -9.691 1.00 0.31 N ATOM 947 CA TYR A 65 -0.093 -2.434 -9.145 1.00 0.38 C ATOM 948 C TYR A 65 0.048 -3.903 -8.744 1.00 0.56 C ATOM 949 O TYR A 65 -0.916 -4.543 -8.327 1.00 1.00 O ATOM 950 CB TYR A 65 0.107 -1.512 -7.947 1.00 0.39 C ATOM 951 CG TYR A 65 -0.066 -0.037 -8.257 1.00 0.44 C ATOM 952 CD1 TYR A 65 0.825 0.611 -9.131 1.00 1.64 C ATOM 953 CD2 TYR A 65 -1.147 0.679 -7.712 1.00 2.08 C ATOM 954 CE1 TYR A 65 0.677 1.982 -9.400 1.00 1.58 C ATOM 955 CE2 TYR A 65 -1.289 2.054 -7.969 1.00 2.24 C ATOM 956 CZ TYR A 65 -0.367 2.707 -8.803 1.00 0.81 C ATOM 957 OH TYR A 65 -0.457 4.051 -9.010 1.00 1.00 O ATOM 0 H TYR A 65 -2.164 -2.425 -9.042 1.00 0.31 H new ATOM 0 HA TYR A 65 0.673 -2.225 -9.892 1.00 0.38 H new ATOM 0 HB2 TYR A 65 -0.600 -1.792 -7.166 1.00 0.39 H new ATOM 0 HB3 TYR A 65 1.107 -1.671 -7.544 1.00 0.39 H new ATOM 0 HD1 TYR A 65 1.625 0.054 -9.596 1.00 1.64 H new ATOM 0 HD2 TYR A 65 -1.871 0.170 -7.093 1.00 2.08 H new ATOM 0 HE1 TYR A 65 1.367 2.479 -10.066 1.00 1.58 H new ATOM 0 HE2 TYR A 65 -2.105 2.606 -7.526 1.00 2.24 H new ATOM 0 HH TYR A 65 -1.234 4.405 -8.529 1.00 1.00 H new ATOM 967 N SER A 66 1.266 -4.430 -8.864 1.00 0.43 N ATOM 968 CA SER A 66 1.575 -5.848 -8.786 1.00 0.50 C ATOM 969 C SER A 66 2.268 -6.135 -7.462 1.00 0.43 C ATOM 970 O SER A 66 3.450 -6.476 -7.434 1.00 0.62 O ATOM 971 CB SER A 66 2.456 -6.231 -9.982 1.00 0.80 C ATOM 972 OG SER A 66 1.783 -5.901 -11.183 1.00 1.67 O ATOM 0 H SER A 66 2.093 -3.855 -9.024 1.00 0.43 H new ATOM 0 HA SER A 66 0.665 -6.447 -8.827 1.00 0.50 H new ATOM 0 HB2 SER A 66 3.409 -5.705 -9.929 1.00 0.80 H new ATOM 0 HB3 SER A 66 2.679 -7.298 -9.958 1.00 0.80 H new ATOM 0 HG SER A 66 2.344 -6.143 -11.949 1.00 1.67 H new ATOM 978 N LEU A 67 1.534 -5.971 -6.364 1.00 0.27 N ATOM 979 CA LEU A 67 2.083 -6.199 -5.036 1.00 0.31 C ATOM 980 C LEU A 67 2.109 -7.654 -4.600 1.00 0.30 C ATOM 981 O LEU A 67 1.490 -8.530 -5.210 1.00 0.34 O ATOM 982 CB LEU A 67 1.498 -5.285 -3.991 1.00 0.38 C ATOM 983 CG LEU A 67 0.321 -5.822 -3.207 1.00 0.60 C ATOM 984 CD1 LEU A 67 -0.089 -4.558 -2.465 1.00 1.50 C ATOM 985 CD2 LEU A 67 -0.788 -6.385 -4.092 1.00 1.83 C ATOM 0 H LEU A 67 0.556 -5.681 -6.371 1.00 0.27 H new ATOM 0 HA LEU A 67 3.134 -5.926 -5.131 1.00 0.31 H new ATOM 0 HB2 LEU A 67 2.287 -5.024 -3.286 1.00 0.38 H new ATOM 0 HB3 LEU A 67 1.189 -4.361 -4.480 1.00 0.38 H new ATOM 0 HG LEU A 67 0.549 -6.676 -2.569 1.00 0.60 H new ATOM 0 HD11 LEU A 67 -0.951 -4.771 -1.833 1.00 1.50 H new ATOM 0 HD12 LEU A 67 0.740 -4.215 -1.846 1.00 1.50 H new ATOM 0 HD13 LEU A 67 -0.350 -3.782 -3.185 1.00 1.50 H new ATOM 0 HD21 LEU A 67 -1.601 -6.753 -3.466 1.00 1.83 H new ATOM 0 HD22 LEU A 67 -1.163 -5.600 -4.749 1.00 1.83 H new ATOM 0 HD23 LEU A 67 -0.393 -7.204 -4.693 1.00 1.83 H new ATOM 997 N ARG A 68 2.813 -7.901 -3.497 1.00 0.30 N ATOM 998 CA ARG A 68 2.764 -9.163 -2.796 1.00 0.33 C ATOM 999 C ARG A 68 3.051 -8.906 -1.320 1.00 0.29 C ATOM 1000 O ARG A 68 3.749 -7.942 -1.001 1.00 0.29 O ATOM 1001 CB ARG A 68 3.756 -10.134 -3.447 1.00 0.43 C ATOM 1002 CG ARG A 68 3.603 -11.537 -2.853 1.00 0.54 C ATOM 1003 CD ARG A 68 3.824 -12.653 -3.888 1.00 1.13 C ATOM 1004 NE ARG A 68 2.700 -13.608 -3.908 1.00 1.65 N ATOM 1005 CZ ARG A 68 1.440 -13.320 -4.283 1.00 2.96 C ATOM 1006 NH1 ARG A 68 1.130 -12.093 -4.718 1.00 3.99 N ATOM 1007 NH2 ARG A 68 0.493 -14.263 -4.206 1.00 4.09 N ATOM 0 H ARG A 68 3.437 -7.218 -3.068 1.00 0.30 H new ATOM 0 HA ARG A 68 1.779 -9.626 -2.861 1.00 0.33 H new ATOM 0 HB2 ARG A 68 3.587 -10.168 -4.523 1.00 0.43 H new ATOM 0 HB3 ARG A 68 4.775 -9.778 -3.295 1.00 0.43 H new ATOM 0 HG2 ARG A 68 4.314 -11.660 -2.036 1.00 0.54 H new ATOM 0 HG3 ARG A 68 2.606 -11.638 -2.425 1.00 0.54 H new ATOM 0 HD2 ARG A 68 3.945 -12.213 -4.878 1.00 1.13 H new ATOM 0 HD3 ARG A 68 4.748 -13.183 -3.660 1.00 1.13 H new ATOM 0 HE ARG A 68 2.894 -14.565 -3.613 1.00 1.65 H new ATOM 0 HH11 ARG A 68 1.850 -11.372 -4.766 1.00 3.99 H new ATOM 0 HH12 ARG A 68 0.174 -11.879 -5.001 1.00 3.99 H new ATOM 0 HH21 ARG A 68 0.728 -15.195 -3.864 1.00 4.09 H new ATOM 0 HH22 ARG A 68 -0.463 -14.050 -4.489 1.00 4.09 H new ATOM 1021 N ASP A 69 2.473 -9.749 -0.450 1.00 0.41 N ATOM 1022 CA ASP A 69 2.668 -9.741 0.994 1.00 0.50 C ATOM 1023 C ASP A 69 4.141 -9.576 1.350 1.00 0.51 C ATOM 1024 O ASP A 69 4.994 -10.254 0.773 1.00 0.87 O ATOM 1025 CB ASP A 69 2.113 -11.027 1.613 1.00 0.92 C ATOM 1026 CG ASP A 69 2.303 -10.991 3.125 1.00 1.68 C ATOM 1027 OD1 ASP A 69 3.410 -11.372 3.572 1.00 2.97 O ATOM 1028 OD2 ASP A 69 1.368 -10.523 3.804 1.00 2.27 O ATOM 0 H ASP A 69 1.832 -10.482 -0.754 1.00 0.41 H new ATOM 0 HA ASP A 69 2.125 -8.889 1.402 1.00 0.50 H new ATOM 0 HB2 ASP A 69 1.055 -11.131 1.372 1.00 0.92 H new ATOM 0 HB3 ASP A 69 2.623 -11.894 1.193 1.00 0.92 H new ATOM 1033 N GLU A 70 4.421 -8.678 2.296 1.00 0.42 N ATOM 1034 CA GLU A 70 5.724 -8.546 2.915 1.00 0.58 C ATOM 1035 C GLU A 70 5.542 -8.517 4.442 1.00 0.68 C ATOM 1036 O GLU A 70 6.123 -7.696 5.156 1.00 0.73 O ATOM 1037 CB GLU A 70 6.365 -7.269 2.356 1.00 0.72 C ATOM 1038 CG GLU A 70 7.786 -7.509 1.876 1.00 1.09 C ATOM 1039 CD GLU A 70 8.552 -6.207 1.643 1.00 1.34 C ATOM 1040 OE1 GLU A 70 8.094 -5.159 2.157 1.00 2.42 O ATOM 1041 OE2 GLU A 70 9.601 -6.295 0.974 1.00 1.64 O ATOM 0 H GLU A 70 3.732 -8.016 2.653 1.00 0.42 H new ATOM 0 HA GLU A 70 6.385 -9.384 2.693 1.00 0.58 H new ATOM 0 HB2 GLU A 70 5.762 -6.892 1.530 1.00 0.72 H new ATOM 0 HB3 GLU A 70 6.368 -6.498 3.126 1.00 0.72 H new ATOM 0 HG2 GLU A 70 8.317 -8.113 2.611 1.00 1.09 H new ATOM 0 HG3 GLU A 70 7.761 -8.083 0.950 1.00 1.09 H new ATOM 1048 N GLN A 71 4.811 -9.520 4.928 1.00 0.79 N ATOM 1049 CA GLN A 71 4.657 -9.927 6.314 1.00 0.91 C ATOM 1050 C GLN A 71 3.988 -8.890 7.231 1.00 0.56 C ATOM 1051 O GLN A 71 4.115 -7.671 7.081 1.00 1.32 O ATOM 1052 CB GLN A 71 5.992 -10.445 6.868 1.00 1.67 C ATOM 1053 CG GLN A 71 6.642 -11.516 5.973 1.00 2.24 C ATOM 1054 CD GLN A 71 5.889 -12.848 5.964 1.00 2.71 C ATOM 1055 OE1 GLN A 71 6.274 -13.773 6.673 1.00 3.66 O ATOM 1056 NE2 GLN A 71 4.834 -12.996 5.168 1.00 2.67 N ATOM 0 H GLN A 71 4.267 -10.116 4.304 1.00 0.79 H new ATOM 0 HA GLN A 71 3.939 -10.747 6.310 1.00 0.91 H new ATOM 0 HB2 GLN A 71 6.681 -9.608 6.981 1.00 1.67 H new ATOM 0 HB3 GLN A 71 5.829 -10.861 7.862 1.00 1.67 H new ATOM 0 HG2 GLN A 71 6.703 -11.136 4.953 1.00 2.24 H new ATOM 0 HG3 GLN A 71 7.664 -11.688 6.311 1.00 2.24 H new ATOM 0 HE21 GLN A 71 4.523 -12.220 4.583 1.00 2.67 H new ATOM 0 HE22 GLN A 71 4.335 -13.885 5.142 1.00 2.67 H new ATOM 1065 N ALA A 72 3.259 -9.418 8.218 1.00 0.75 N ATOM 1066 CA ALA A 72 2.576 -8.654 9.247 1.00 1.23 C ATOM 1067 C ALA A 72 3.541 -8.407 10.404 1.00 1.17 C ATOM 1068 O ALA A 72 3.433 -9.035 11.454 1.00 1.61 O ATOM 1069 CB ALA A 72 1.323 -9.416 9.691 1.00 2.02 C ATOM 0 H ALA A 72 3.128 -10.424 8.320 1.00 0.75 H new ATOM 0 HA ALA A 72 2.256 -7.684 8.865 1.00 1.23 H new ATOM 0 HB1 ALA A 72 0.806 -8.847 10.464 1.00 2.02 H new ATOM 0 HB2 ALA A 72 0.660 -9.554 8.837 1.00 2.02 H new ATOM 0 HB3 ALA A 72 1.611 -10.389 10.088 1.00 2.02 H new ATOM 1075 N ALA A 73 4.480 -7.483 10.193 1.00 0.99 N ATOM 1076 CA ALA A 73 5.465 -7.065 11.174 1.00 1.34 C ATOM 1077 C ALA A 73 6.367 -8.233 11.584 1.00 1.82 C ATOM 1078 O ALA A 73 6.604 -9.145 10.792 1.00 2.64 O ATOM 1079 CB ALA A 73 4.760 -6.385 12.360 1.00 1.86 C ATOM 0 H ALA A 73 4.573 -6.993 9.303 1.00 0.99 H new ATOM 0 HA ALA A 73 6.132 -6.325 10.732 1.00 1.34 H new ATOM 0 HB1 ALA A 73 5.503 -6.073 13.094 1.00 1.86 H new ATOM 0 HB2 ALA A 73 4.211 -5.513 12.005 1.00 1.86 H new ATOM 0 HB3 ALA A 73 4.066 -7.087 12.822 1.00 1.86 H new ATOM 1085 N GLU A 74 6.875 -8.157 12.810 1.00 2.65 N ATOM 1086 CA GLU A 74 7.652 -9.146 13.525 1.00 3.47 C ATOM 1087 C GLU A 74 7.161 -9.030 14.970 1.00 4.85 C ATOM 1088 O GLU A 74 7.375 -9.990 15.740 1.00 6.00 O ATOM 1089 CB GLU A 74 9.150 -8.812 13.440 1.00 3.79 C ATOM 1090 CG GLU A 74 9.684 -8.802 12.000 1.00 4.21 C ATOM 1091 CD GLU A 74 11.176 -8.499 11.960 1.00 5.53 C ATOM 1092 OE1 GLU A 74 11.523 -7.329 12.228 1.00 6.30 O ATOM 1093 OE2 GLU A 74 11.943 -9.436 11.647 1.00 6.31 O ATOM 1094 OXT GLU A 74 6.570 -7.962 15.265 1.00 5.47 O ATOM 0 H GLU A 74 6.736 -7.319 13.375 1.00 2.65 H new ATOM 0 HA GLU A 74 7.532 -10.150 13.119 1.00 3.47 H new ATOM 0 HB2 GLU A 74 9.325 -7.836 13.893 1.00 3.79 H new ATOM 0 HB3 GLU A 74 9.712 -9.540 14.025 1.00 3.79 H new ATOM 0 HG2 GLU A 74 9.496 -9.769 11.534 1.00 4.21 H new ATOM 0 HG3 GLU A 74 9.144 -8.056 11.416 1.00 4.21 H new TER 1101 GLU A 74 HETATM 1102 ZN ZN A 75 4.586 6.582 -12.667 1.00 0.96 ZN