USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 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 58 SER OG : rot 150:sc= 0.965 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 166:sc= 1.32 (180deg=0) USER MOD Set 2.1: A 36 GLN : amide:sc= 1.09 K(o=2.1,f=-9.1!) USER MOD Set 2.2: A 43 LYS NZ :NH3+ -120:sc= 1.05 (180deg=0) USER MOD Set 3.1: A 15 CYS SG : rot 180:sc= 0.561 USER MOD Set 3.2: A 18 CYS SG : rot 124:sc= 0.239 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 82:sc= 0.878 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 166:sc= -0.339 (180deg=-1.04) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.11 K(o=1.1,f=-0.0039) USER MOD Single : A 28 GLN : amide:sc= 0.327 X(o=0.33,f=-0.016) USER MOD Single : A 33 ASN : amide:sc= 0.926 K(o=0.93,f=-0.67) USER MOD Single : A 34 GLN : amide:sc= 1.03 K(o=1,f=-0.11) USER MOD Single : A 41 THR OG1 : rot -150:sc= 0.00663 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.7 F(o=-1.3,f=-0.7) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.286 -3.272 11.682 1.00 0.52 N ATOM 34 CA ARG A 5 2.972 -2.759 10.522 1.00 0.46 C ATOM 35 C ARG A 5 2.961 -3.866 9.492 1.00 0.38 C ATOM 36 O ARG A 5 3.610 -4.896 9.656 1.00 0.59 O ATOM 37 CB ARG A 5 4.380 -2.290 10.894 1.00 0.65 C ATOM 38 CG ARG A 5 5.132 -1.783 9.660 1.00 0.75 C ATOM 39 CD ARG A 5 5.712 -2.892 8.749 1.00 0.53 C ATOM 40 NE ARG A 5 7.118 -2.630 8.395 1.00 1.14 N ATOM 41 CZ ARG A 5 8.004 -3.576 8.033 1.00 1.51 C ATOM 42 NH1 ARG A 5 7.602 -4.743 7.523 1.00 2.95 N ATOM 43 NH2 ARG A 5 9.313 -3.350 8.190 1.00 1.68 N ATOM 0 HA ARG A 5 2.479 -1.879 10.109 1.00 0.46 H new ATOM 0 HB2 ARG A 5 4.318 -1.496 11.638 1.00 0.65 H new ATOM 0 HB3 ARG A 5 4.933 -3.112 11.349 1.00 0.65 H new ATOM 0 HG2 ARG A 5 4.456 -1.164 9.069 1.00 0.75 H new ATOM 0 HG3 ARG A 5 5.948 -1.139 9.989 1.00 0.75 H new ATOM 0 HD2 ARG A 5 5.638 -3.854 9.256 1.00 0.53 H new ATOM 0 HD3 ARG A 5 5.116 -2.964 7.839 1.00 0.53 H new ATOM 0 HE ARG A 5 7.443 -1.664 8.427 1.00 1.14 H new ATOM 0 HH11 ARG A 5 6.607 -4.931 7.401 1.00 2.95 H new ATOM 0 HH12 ARG A 5 8.290 -5.447 7.255 1.00 2.95 H new ATOM 0 HH21 ARG A 5 9.634 -2.465 8.582 1.00 1.68 H new ATOM 0 HH22 ARG A 5 9.990 -4.063 7.918 1.00 1.68 H new ATOM 57 N TYR A 6 2.222 -3.651 8.415 1.00 0.32 N ATOM 58 CA TYR A 6 2.196 -4.572 7.302 1.00 0.26 C ATOM 59 C TYR A 6 2.951 -3.941 6.144 1.00 0.29 C ATOM 60 O TYR A 6 3.071 -2.717 6.103 1.00 0.53 O ATOM 61 CB TYR A 6 0.750 -4.803 6.924 1.00 0.35 C ATOM 62 CG TYR A 6 -0.167 -5.225 8.038 1.00 0.50 C ATOM 63 CD1 TYR A 6 -0.285 -6.588 8.351 1.00 2.03 C ATOM 64 CD2 TYR A 6 -1.104 -4.305 8.533 1.00 1.58 C ATOM 65 CE1 TYR A 6 -1.363 -7.034 9.132 1.00 2.05 C ATOM 66 CE2 TYR A 6 -2.239 -4.769 9.212 1.00 1.66 C ATOM 67 CZ TYR A 6 -2.345 -6.125 9.561 1.00 0.79 C ATOM 68 OH TYR A 6 -3.491 -6.598 10.124 1.00 1.06 O ATOM 0 H TYR A 6 1.626 -2.832 8.293 1.00 0.32 H new ATOM 0 HA TYR A 6 2.663 -5.523 7.558 1.00 0.26 H new ATOM 0 HB2 TYR A 6 0.359 -3.884 6.488 1.00 0.35 H new ATOM 0 HB3 TYR A 6 0.717 -5.565 6.145 1.00 0.35 H new ATOM 0 HD1 TYR A 6 0.451 -7.292 7.992 1.00 2.03 H new ATOM 0 HD2 TYR A 6 -0.951 -3.245 8.392 1.00 1.58 H new ATOM 0 HE1 TYR A 6 -1.438 -8.077 9.403 1.00 2.05 H new ATOM 0 HE2 TYR A 6 -3.033 -4.083 9.467 1.00 1.66 H new ATOM 0 HH TYR A 6 -4.070 -5.846 10.369 1.00 1.06 H new ATOM 78 N SER A 7 3.445 -4.752 5.208 1.00 0.26 N ATOM 79 CA SER A 7 4.253 -4.287 4.090 1.00 0.18 C ATOM 80 C SER A 7 3.890 -5.052 2.828 1.00 0.16 C ATOM 81 O SER A 7 3.469 -6.205 2.905 1.00 0.21 O ATOM 82 CB SER A 7 5.748 -4.452 4.424 1.00 0.24 C ATOM 83 OG SER A 7 5.944 -5.268 5.572 1.00 2.15 O ATOM 0 H SER A 7 3.291 -5.760 5.209 1.00 0.26 H new ATOM 0 HA SER A 7 4.052 -3.230 3.915 1.00 0.18 H new ATOM 0 HB2 SER A 7 6.265 -4.893 3.572 1.00 0.24 H new ATOM 0 HB3 SER A 7 6.193 -3.472 4.594 1.00 0.24 H new ATOM 0 HG SER A 7 5.898 -6.212 5.314 1.00 2.15 H new ATOM 89 N TRP A 8 4.063 -4.396 1.679 1.00 0.16 N ATOM 90 CA TRP A 8 3.869 -4.978 0.365 1.00 0.21 C ATOM 91 C TRP A 8 5.051 -4.609 -0.523 1.00 0.18 C ATOM 92 O TRP A 8 5.476 -3.449 -0.524 1.00 0.22 O ATOM 93 CB TRP A 8 2.523 -4.527 -0.220 1.00 0.28 C ATOM 94 CG TRP A 8 1.382 -4.938 0.657 1.00 0.26 C ATOM 95 CD1 TRP A 8 0.882 -6.184 0.726 1.00 0.31 C ATOM 96 CD2 TRP A 8 0.687 -4.248 1.721 1.00 0.27 C ATOM 97 NE1 TRP A 8 0.293 -6.350 1.984 1.00 0.26 N ATOM 98 CE2 TRP A 8 0.433 -5.182 2.738 1.00 0.28 C ATOM 99 CE3 TRP A 8 0.192 -2.974 2.022 1.00 0.31 C ATOM 100 CZ2 TRP A 8 0.169 -4.660 4.035 1.00 0.30 C ATOM 101 CZ3 TRP A 8 -0.904 -2.936 2.931 1.00 0.37 C ATOM 102 CH2 TRP A 8 -0.686 -3.559 4.128 1.00 0.35 C ATOM 0 H TRP A 8 4.350 -3.418 1.644 1.00 0.16 H new ATOM 0 HA TRP A 8 3.831 -6.065 0.432 1.00 0.21 H new ATOM 0 HB2 TRP A 8 2.521 -3.443 -0.339 1.00 0.28 H new ATOM 0 HB3 TRP A 8 2.394 -4.957 -1.213 1.00 0.28 H new ATOM 0 HD1 TRP A 8 0.927 -6.928 -0.055 1.00 0.31 H new ATOM 0 HE1 TRP A 8 -0.171 -7.200 2.304 1.00 0.26 H new ATOM 0 HE3 TRP A 8 0.614 -2.077 1.593 1.00 0.31 H new ATOM 0 HZ2 TRP A 8 0.614 -5.099 4.916 1.00 0.30 H new ATOM 0 HZ3 TRP A 8 -1.839 -2.451 2.692 1.00 0.37 H new ATOM 0 HH2 TRP A 8 -1.132 -3.232 5.056 1.00 0.35 H new ATOM 113 N LYS A 9 5.538 -5.600 -1.278 1.00 0.19 N ATOM 114 CA LYS A 9 6.520 -5.427 -2.337 1.00 0.23 C ATOM 115 C LYS A 9 5.732 -5.379 -3.629 1.00 0.34 C ATOM 116 O LYS A 9 4.719 -6.068 -3.733 1.00 0.54 O ATOM 117 CB LYS A 9 7.523 -6.590 -2.384 1.00 0.30 C ATOM 118 CG LYS A 9 6.878 -7.984 -2.528 1.00 0.69 C ATOM 119 CD LYS A 9 7.875 -9.115 -2.246 1.00 0.62 C ATOM 120 CE LYS A 9 8.875 -9.332 -3.385 1.00 1.12 C ATOM 121 NZ LYS A 9 10.035 -10.118 -2.921 1.00 1.66 N ATOM 0 H LYS A 9 5.247 -6.570 -1.160 1.00 0.19 H new ATOM 0 HA LYS A 9 7.103 -4.521 -2.170 1.00 0.23 H new ATOM 0 HB2 LYS A 9 8.206 -6.431 -3.219 1.00 0.30 H new ATOM 0 HB3 LYS A 9 8.123 -6.573 -1.474 1.00 0.30 H new ATOM 0 HG2 LYS A 9 6.035 -8.065 -1.842 1.00 0.69 H new ATOM 0 HG3 LYS A 9 6.480 -8.096 -3.536 1.00 0.69 H new ATOM 0 HD2 LYS A 9 8.421 -8.890 -1.329 1.00 0.62 H new ATOM 0 HD3 LYS A 9 7.326 -10.040 -2.071 1.00 0.62 H new ATOM 0 HE2 LYS A 9 8.386 -9.849 -4.211 1.00 1.12 H new ATOM 0 HE3 LYS A 9 9.212 -8.369 -3.767 1.00 1.12 H new ATOM 0 HZ1 LYS A 9 10.700 -10.253 -3.709 1.00 1.66 H new ATOM 0 HZ2 LYS A 9 10.512 -9.610 -2.149 1.00 1.66 H new ATOM 0 HZ3 LYS A 9 9.711 -11.045 -2.578 1.00 1.66 H new ATOM 135 N VAL A 10 6.184 -4.573 -4.582 1.00 0.62 N ATOM 136 CA VAL A 10 5.524 -4.330 -5.850 1.00 0.82 C ATOM 137 C VAL A 10 6.542 -4.436 -6.985 1.00 1.07 C ATOM 138 O VAL A 10 7.715 -4.678 -6.725 1.00 2.01 O ATOM 139 CB VAL A 10 4.810 -2.972 -5.741 1.00 0.91 C ATOM 140 CG1 VAL A 10 5.780 -1.793 -5.864 1.00 1.83 C ATOM 141 CG2 VAL A 10 3.624 -2.845 -6.693 1.00 1.81 C ATOM 0 H VAL A 10 7.055 -4.052 -4.484 1.00 0.62 H new ATOM 0 HA VAL A 10 4.765 -5.076 -6.084 1.00 0.82 H new ATOM 0 HB VAL A 10 4.394 -2.933 -4.734 1.00 0.91 H new ATOM 0 HG11 VAL A 10 5.228 -0.857 -5.781 1.00 1.83 H new ATOM 0 HG12 VAL A 10 6.523 -1.848 -5.068 1.00 1.83 H new ATOM 0 HG13 VAL A 10 6.281 -1.834 -6.831 1.00 1.83 H new ATOM 0 HG21 VAL A 10 3.161 -1.866 -6.569 1.00 1.81 H new ATOM 0 HG22 VAL A 10 3.969 -2.956 -7.721 1.00 1.81 H new ATOM 0 HG23 VAL A 10 2.893 -3.622 -6.470 1.00 1.81 H new ATOM 151 N SER A 11 6.091 -4.279 -8.231 1.00 0.67 N ATOM 152 CA SER A 11 6.948 -4.197 -9.411 1.00 0.71 C ATOM 153 C SER A 11 6.703 -2.901 -10.197 1.00 0.73 C ATOM 154 O SER A 11 7.129 -2.787 -11.345 1.00 1.85 O ATOM 155 CB SER A 11 6.662 -5.425 -10.277 1.00 1.08 C ATOM 156 OG SER A 11 5.262 -5.558 -10.463 1.00 2.96 O ATOM 0 H SER A 11 5.098 -4.204 -8.451 1.00 0.67 H new ATOM 0 HA SER A 11 7.995 -4.180 -9.108 1.00 0.71 H new ATOM 0 HB2 SER A 11 7.160 -5.327 -11.242 1.00 1.08 H new ATOM 0 HB3 SER A 11 7.063 -6.320 -9.801 1.00 1.08 H new ATOM 0 HG SER A 11 5.079 -6.344 -11.019 1.00 2.96 H new ATOM 162 N GLY A 12 5.979 -1.946 -9.601 1.00 0.58 N ATOM 163 CA GLY A 12 5.621 -0.671 -10.203 1.00 0.57 C ATOM 164 C GLY A 12 6.150 0.470 -9.333 1.00 1.03 C ATOM 165 O GLY A 12 7.340 0.518 -9.046 1.00 2.74 O ATOM 0 H GLY A 12 5.617 -2.051 -8.653 1.00 0.58 H new ATOM 0 HA2 GLY A 12 6.039 -0.601 -11.207 1.00 0.57 H new ATOM 0 HA3 GLY A 12 4.538 -0.595 -10.302 1.00 0.57 H new ATOM 169 N MET A 13 5.254 1.358 -8.884 1.00 0.56 N ATOM 170 CA MET A 13 5.558 2.487 -8.007 1.00 0.39 C ATOM 171 C MET A 13 6.851 3.227 -8.386 1.00 0.40 C ATOM 172 O MET A 13 7.853 3.208 -7.669 1.00 0.70 O ATOM 173 CB MET A 13 5.538 2.030 -6.547 1.00 0.54 C ATOM 174 CG MET A 13 4.115 1.768 -6.047 1.00 1.18 C ATOM 175 SD MET A 13 3.939 2.000 -4.264 1.00 1.74 S ATOM 176 CE MET A 13 5.094 0.786 -3.590 1.00 2.47 C ATOM 0 H MET A 13 4.266 1.305 -9.132 1.00 0.56 H new ATOM 0 HA MET A 13 4.774 3.232 -8.143 1.00 0.39 H new ATOM 0 HB2 MET A 13 6.132 1.122 -6.443 1.00 0.54 H new ATOM 0 HB3 MET A 13 6.007 2.790 -5.923 1.00 0.54 H new ATOM 0 HG2 MET A 13 3.425 2.435 -6.564 1.00 1.18 H new ATOM 0 HG3 MET A 13 3.827 0.749 -6.305 1.00 1.18 H new ATOM 0 HE1 MET A 13 5.265 0.994 -2.534 1.00 2.47 H new ATOM 0 HE2 MET A 13 4.676 -0.214 -3.700 1.00 2.47 H new ATOM 0 HE3 MET A 13 6.040 0.845 -4.129 1.00 2.47 H new ATOM 186 N ASP A 14 6.767 3.931 -9.513 1.00 0.47 N ATOM 187 CA ASP A 14 7.846 4.537 -10.272 1.00 0.61 C ATOM 188 C ASP A 14 7.835 6.074 -10.240 1.00 0.69 C ATOM 189 O ASP A 14 8.806 6.683 -10.684 1.00 0.92 O ATOM 190 CB ASP A 14 7.718 4.033 -11.721 1.00 0.75 C ATOM 191 CG ASP A 14 6.361 4.339 -12.367 1.00 0.86 C ATOM 192 OD1 ASP A 14 5.355 4.433 -11.631 1.00 1.56 O ATOM 193 OD2 ASP A 14 6.337 4.478 -13.606 1.00 1.11 O ATOM 0 H ASP A 14 5.862 4.104 -9.951 1.00 0.47 H new ATOM 0 HA ASP A 14 8.794 4.247 -9.820 1.00 0.61 H new ATOM 0 HB2 ASP A 14 8.506 4.484 -12.323 1.00 0.75 H new ATOM 0 HB3 ASP A 14 7.882 2.956 -11.737 1.00 0.75 H new ATOM 198 N CYS A 15 6.776 6.708 -9.718 1.00 0.58 N ATOM 199 CA CYS A 15 6.606 8.159 -9.708 1.00 0.58 C ATOM 200 C CYS A 15 6.074 8.598 -8.347 1.00 0.49 C ATOM 201 O CYS A 15 5.336 7.853 -7.705 1.00 0.43 O ATOM 202 CB CYS A 15 5.605 8.612 -10.785 1.00 0.62 C ATOM 203 SG CYS A 15 5.802 7.772 -12.375 1.00 0.74 S ATOM 0 H CYS A 15 5.999 6.211 -9.282 1.00 0.58 H new ATOM 0 HA CYS A 15 7.577 8.611 -9.912 1.00 0.58 H new ATOM 0 HB2 CYS A 15 4.592 8.442 -10.419 1.00 0.62 H new ATOM 0 HB3 CYS A 15 5.713 9.686 -10.938 1.00 0.62 H new ATOM 0 HG CYS A 15 4.915 8.218 -13.214 1.00 0.74 H new ATOM 208 N ALA A 16 6.370 9.836 -7.946 1.00 0.49 N ATOM 209 CA ALA A 16 5.805 10.434 -6.741 1.00 0.45 C ATOM 210 C ALA A 16 4.285 10.536 -6.857 1.00 0.38 C ATOM 211 O ALA A 16 3.566 10.265 -5.901 1.00 0.43 O ATOM 212 CB ALA A 16 6.434 11.809 -6.508 1.00 0.55 C ATOM 0 H ALA A 16 7.009 10.450 -8.450 1.00 0.49 H new ATOM 0 HA ALA A 16 6.030 9.799 -5.884 1.00 0.45 H new ATOM 0 HB1 ALA A 16 6.011 12.255 -5.608 1.00 0.55 H new ATOM 0 HB2 ALA A 16 7.512 11.700 -6.387 1.00 0.55 H new ATOM 0 HB3 ALA A 16 6.228 12.453 -7.363 1.00 0.55 H new ATOM 218 N ALA A 17 3.779 10.922 -8.032 1.00 0.34 N ATOM 219 CA ALA A 17 2.342 10.990 -8.262 1.00 0.30 C ATOM 220 C ALA A 17 1.704 9.615 -8.054 1.00 0.29 C ATOM 221 O ALA A 17 0.688 9.509 -7.371 1.00 0.29 O ATOM 222 CB ALA A 17 2.055 11.538 -9.660 1.00 0.35 C ATOM 0 H ALA A 17 4.347 11.191 -8.835 1.00 0.34 H new ATOM 0 HA ALA A 17 1.897 11.674 -7.539 1.00 0.30 H new ATOM 0 HB1 ALA A 17 0.978 11.584 -9.819 1.00 0.35 H new ATOM 0 HB2 ALA A 17 2.478 12.538 -9.753 1.00 0.35 H new ATOM 0 HB3 ALA A 17 2.504 10.883 -10.407 1.00 0.35 H new ATOM 228 N CYS A 18 2.319 8.571 -8.620 1.00 0.30 N ATOM 229 CA CYS A 18 1.928 7.183 -8.423 1.00 0.29 C ATOM 230 C CYS A 18 1.924 6.878 -6.926 1.00 0.26 C ATOM 231 O CYS A 18 0.890 6.497 -6.385 1.00 0.25 O ATOM 232 CB CYS A 18 2.852 6.246 -9.225 1.00 0.37 C ATOM 233 SG CYS A 18 2.646 6.569 -11.006 1.00 0.62 S ATOM 0 H CYS A 18 3.121 8.677 -9.241 1.00 0.30 H new ATOM 0 HA CYS A 18 0.920 7.013 -8.801 1.00 0.29 H new ATOM 0 HB2 CYS A 18 3.890 6.405 -8.933 1.00 0.37 H new ATOM 0 HB3 CYS A 18 2.614 5.206 -9.003 1.00 0.37 H new ATOM 0 HG CYS A 18 3.800 6.858 -11.531 1.00 0.62 H new ATOM 238 N ALA A 19 3.050 7.105 -6.241 1.00 0.30 N ATOM 239 CA ALA A 19 3.165 6.942 -4.796 1.00 0.34 C ATOM 240 C ALA A 19 1.986 7.590 -4.076 1.00 0.33 C ATOM 241 O ALA A 19 1.378 6.991 -3.190 1.00 0.38 O ATOM 242 CB ALA A 19 4.471 7.564 -4.298 1.00 0.36 C ATOM 0 H ALA A 19 3.916 7.411 -6.685 1.00 0.30 H new ATOM 0 HA ALA A 19 3.163 5.874 -4.577 1.00 0.34 H new ATOM 0 HB1 ALA A 19 4.546 7.436 -3.218 1.00 0.36 H new ATOM 0 HB2 ALA A 19 5.315 7.073 -4.781 1.00 0.36 H new ATOM 0 HB3 ALA A 19 4.483 8.627 -4.539 1.00 0.36 H new ATOM 248 N ARG A 20 1.656 8.823 -4.457 1.00 0.36 N ATOM 249 CA ARG A 20 0.586 9.542 -3.803 1.00 0.36 C ATOM 250 C ARG A 20 -0.775 8.917 -4.120 1.00 0.32 C ATOM 251 O ARG A 20 -1.634 8.778 -3.250 1.00 0.35 O ATOM 252 CB ARG A 20 0.612 11.032 -4.151 1.00 0.37 C ATOM 253 CG ARG A 20 0.354 11.775 -2.842 1.00 0.74 C ATOM 254 CD ARG A 20 -0.165 13.198 -3.003 1.00 0.75 C ATOM 255 NE ARG A 20 -0.598 13.664 -1.678 1.00 1.59 N ATOM 256 CZ ARG A 20 -1.541 14.591 -1.449 1.00 2.47 C ATOM 257 NH1 ARG A 20 -2.074 15.273 -2.471 1.00 2.84 N ATOM 258 NH2 ARG A 20 -1.953 14.822 -0.199 1.00 3.42 N ATOM 0 H ARG A 20 2.116 9.334 -5.211 1.00 0.36 H new ATOM 0 HA ARG A 20 0.746 9.460 -2.728 1.00 0.36 H new ATOM 0 HB2 ARG A 20 1.574 11.316 -4.578 1.00 0.37 H new ATOM 0 HB3 ARG A 20 -0.149 11.273 -4.893 1.00 0.37 H new ATOM 0 HG2 ARG A 20 -0.366 11.206 -2.254 1.00 0.74 H new ATOM 0 HG3 ARG A 20 1.281 11.805 -2.269 1.00 0.74 H new ATOM 0 HD2 ARG A 20 0.614 13.847 -3.402 1.00 0.75 H new ATOM 0 HD3 ARG A 20 -0.995 13.226 -3.709 1.00 0.75 H new ATOM 0 HE ARG A 20 -0.144 13.248 -0.865 1.00 1.59 H new ATOM 0 HH11 ARG A 20 -1.763 15.088 -3.425 1.00 2.84 H new ATOM 0 HH12 ARG A 20 -2.791 15.977 -2.296 1.00 2.84 H new ATOM 0 HH21 ARG A 20 -1.551 14.295 0.576 1.00 3.42 H new ATOM 0 HH22 ARG A 20 -2.669 15.526 -0.020 1.00 3.42 H new ATOM 272 N LYS A 21 -0.988 8.536 -5.377 1.00 0.28 N ATOM 273 CA LYS A 21 -2.203 7.848 -5.778 1.00 0.31 C ATOM 274 C LYS A 21 -2.354 6.569 -4.959 1.00 0.27 C ATOM 275 O LYS A 21 -3.453 6.258 -4.510 1.00 0.30 O ATOM 276 CB LYS A 21 -2.194 7.568 -7.291 1.00 0.39 C ATOM 277 CG LYS A 21 -3.298 8.351 -8.013 1.00 0.71 C ATOM 278 CD LYS A 21 -4.664 7.681 -7.807 1.00 1.95 C ATOM 279 CE LYS A 21 -5.773 8.510 -8.470 1.00 2.06 C ATOM 280 NZ LYS A 21 -7.056 7.777 -8.530 1.00 3.59 N ATOM 0 H LYS A 21 -0.327 8.696 -6.137 1.00 0.28 H new ATOM 0 HA LYS A 21 -3.067 8.483 -5.580 1.00 0.31 H new ATOM 0 HB2 LYS A 21 -1.223 7.838 -7.707 1.00 0.39 H new ATOM 0 HB3 LYS A 21 -2.329 6.501 -7.466 1.00 0.39 H new ATOM 0 HG2 LYS A 21 -3.329 9.374 -7.638 1.00 0.71 H new ATOM 0 HG3 LYS A 21 -3.073 8.408 -9.078 1.00 0.71 H new ATOM 0 HD2 LYS A 21 -4.651 6.676 -8.229 1.00 1.95 H new ATOM 0 HD3 LYS A 21 -4.868 7.576 -6.741 1.00 1.95 H new ATOM 0 HE2 LYS A 21 -5.912 9.438 -7.915 1.00 2.06 H new ATOM 0 HE3 LYS A 21 -5.466 8.785 -9.479 1.00 2.06 H new ATOM 0 HZ1 LYS A 21 -7.776 8.374 -8.985 1.00 3.59 H new ATOM 0 HZ2 LYS A 21 -6.932 6.904 -9.081 1.00 3.59 H new ATOM 0 HZ3 LYS A 21 -7.364 7.537 -7.566 1.00 3.59 H new ATOM 294 N VAL A 22 -1.252 5.857 -4.734 1.00 0.24 N ATOM 295 CA VAL A 22 -1.222 4.646 -3.943 1.00 0.25 C ATOM 296 C VAL A 22 -1.579 5.002 -2.502 1.00 0.21 C ATOM 297 O VAL A 22 -2.496 4.407 -1.939 1.00 0.24 O ATOM 298 CB VAL A 22 0.164 3.992 -4.044 1.00 0.27 C ATOM 299 CG1 VAL A 22 0.241 2.703 -3.226 1.00 0.32 C ATOM 300 CG2 VAL A 22 0.565 3.670 -5.489 1.00 0.51 C ATOM 0 H VAL A 22 -0.340 6.118 -5.108 1.00 0.24 H new ATOM 0 HA VAL A 22 -1.948 3.923 -4.315 1.00 0.25 H new ATOM 0 HB VAL A 22 0.859 4.730 -3.643 1.00 0.27 H new ATOM 0 HG11 VAL A 22 1.237 2.270 -3.323 1.00 0.32 H new ATOM 0 HG12 VAL A 22 0.042 2.925 -2.178 1.00 0.32 H new ATOM 0 HG13 VAL A 22 -0.501 1.994 -3.594 1.00 0.32 H new ATOM 0 HG21 VAL A 22 1.553 3.210 -5.498 1.00 0.51 H new ATOM 0 HG22 VAL A 22 -0.160 2.982 -5.923 1.00 0.51 H new ATOM 0 HG23 VAL A 22 0.588 4.590 -6.074 1.00 0.51 H new ATOM 310 N GLU A 23 -0.882 5.972 -1.891 1.00 0.20 N ATOM 311 CA GLU A 23 -1.084 6.239 -0.473 1.00 0.24 C ATOM 312 C GLU A 23 -2.544 6.611 -0.255 1.00 0.23 C ATOM 313 O GLU A 23 -3.171 6.171 0.696 1.00 0.26 O ATOM 314 CB GLU A 23 -0.100 7.272 0.116 1.00 0.32 C ATOM 315 CG GLU A 23 -0.512 8.723 -0.166 1.00 0.34 C ATOM 316 CD GLU A 23 0.397 9.791 0.429 1.00 0.54 C ATOM 317 OE1 GLU A 23 1.311 9.407 1.188 1.00 1.53 O ATOM 318 OE2 GLU A 23 0.130 10.981 0.130 1.00 1.85 O ATOM 0 H GLU A 23 -0.192 6.567 -2.349 1.00 0.20 H new ATOM 0 HA GLU A 23 -0.857 5.331 0.085 1.00 0.24 H new ATOM 0 HB2 GLU A 23 -0.028 7.124 1.193 1.00 0.32 H new ATOM 0 HB3 GLU A 23 0.893 7.096 -0.297 1.00 0.32 H new ATOM 0 HG2 GLU A 23 -0.554 8.867 -1.246 1.00 0.34 H new ATOM 0 HG3 GLU A 23 -1.521 8.876 0.216 1.00 0.34 H new ATOM 325 N ASN A 24 -3.102 7.386 -1.181 1.00 0.24 N ATOM 326 CA ASN A 24 -4.498 7.771 -1.166 1.00 0.30 C ATOM 327 C ASN A 24 -5.409 6.558 -1.381 1.00 0.32 C ATOM 328 O ASN A 24 -6.402 6.409 -0.667 1.00 0.38 O ATOM 329 CB ASN A 24 -4.734 8.876 -2.197 1.00 0.34 C ATOM 330 CG ASN A 24 -4.333 10.234 -1.624 1.00 1.42 C ATOM 331 OD1 ASN A 24 -5.175 10.991 -1.153 1.00 2.28 O ATOM 332 ND2 ASN A 24 -3.042 10.543 -1.623 1.00 2.75 N ATOM 0 H ASN A 24 -2.583 7.767 -1.972 1.00 0.24 H new ATOM 0 HA ASN A 24 -4.754 8.170 -0.184 1.00 0.30 H new ATOM 0 HB2 ASN A 24 -4.157 8.670 -3.099 1.00 0.34 H new ATOM 0 HB3 ASN A 24 -5.784 8.893 -2.488 1.00 0.34 H new ATOM 0 HD21 ASN A 24 -2.730 11.428 -1.224 1.00 2.75 H new ATOM 0 HD22 ASN A 24 -2.362 9.895 -2.021 1.00 2.75 H new ATOM 339 N ALA A 25 -5.089 5.702 -2.359 1.00 0.34 N ATOM 340 CA ALA A 25 -5.837 4.487 -2.674 1.00 0.41 C ATOM 341 C ALA A 25 -5.976 3.584 -1.451 1.00 0.34 C ATOM 342 O ALA A 25 -7.033 2.996 -1.241 1.00 0.37 O ATOM 343 CB ALA A 25 -5.185 3.721 -3.829 1.00 0.52 C ATOM 0 H ALA A 25 -4.282 5.842 -2.966 1.00 0.34 H new ATOM 0 HA ALA A 25 -6.836 4.794 -2.984 1.00 0.41 H new ATOM 0 HB1 ALA A 25 -5.763 2.822 -4.041 1.00 0.52 H new ATOM 0 HB2 ALA A 25 -5.159 4.354 -4.716 1.00 0.52 H new ATOM 0 HB3 ALA A 25 -4.168 3.442 -3.552 1.00 0.52 H new ATOM 349 N VAL A 26 -4.915 3.466 -0.649 1.00 0.29 N ATOM 350 CA VAL A 26 -4.958 2.650 0.557 1.00 0.29 C ATOM 351 C VAL A 26 -5.563 3.457 1.718 1.00 0.31 C ATOM 352 O VAL A 26 -6.440 2.974 2.427 1.00 0.33 O ATOM 353 CB VAL A 26 -3.583 2.006 0.835 1.00 0.39 C ATOM 354 CG1 VAL A 26 -2.981 1.442 -0.442 1.00 1.87 C ATOM 355 CG2 VAL A 26 -2.575 2.915 1.527 1.00 1.65 C ATOM 0 H VAL A 26 -4.020 3.926 -0.816 1.00 0.29 H new ATOM 0 HA VAL A 26 -5.628 1.801 0.421 1.00 0.29 H new ATOM 0 HB VAL A 26 -3.791 1.203 1.542 1.00 0.39 H new ATOM 0 HG11 VAL A 26 -2.013 0.994 -0.221 1.00 1.87 H new ATOM 0 HG12 VAL A 26 -3.647 0.683 -0.854 1.00 1.87 H new ATOM 0 HG13 VAL A 26 -2.852 2.244 -1.169 1.00 1.87 H new ATOM 0 HG21 VAL A 26 -1.641 2.374 1.679 1.00 1.65 H new ATOM 0 HG22 VAL A 26 -2.389 3.792 0.906 1.00 1.65 H new ATOM 0 HG23 VAL A 26 -2.972 3.231 2.492 1.00 1.65 H new ATOM 365 N ARG A 27 -5.135 4.711 1.901 1.00 0.31 N ATOM 366 CA ARG A 27 -5.554 5.556 3.020 1.00 0.32 C ATOM 367 C ARG A 27 -7.075 5.649 3.098 1.00 0.35 C ATOM 368 O ARG A 27 -7.650 5.602 4.182 1.00 0.39 O ATOM 369 CB ARG A 27 -4.937 6.958 2.901 1.00 0.31 C ATOM 370 CG ARG A 27 -5.356 7.884 4.046 1.00 0.38 C ATOM 371 CD ARG A 27 -4.595 9.214 3.951 1.00 0.52 C ATOM 372 NE ARG A 27 -4.971 10.127 5.043 1.00 0.72 N ATOM 373 CZ ARG A 27 -6.088 10.873 5.086 1.00 2.01 C ATOM 374 NH1 ARG A 27 -6.963 10.823 4.075 1.00 3.71 N ATOM 375 NH2 ARG A 27 -6.324 11.663 6.140 1.00 1.99 N ATOM 0 H ARG A 27 -4.481 5.171 1.268 1.00 0.31 H new ATOM 0 HA ARG A 27 -5.195 5.095 3.940 1.00 0.32 H new ATOM 0 HB2 ARG A 27 -3.850 6.873 2.886 1.00 0.31 H new ATOM 0 HB3 ARG A 27 -5.235 7.403 1.951 1.00 0.31 H new ATOM 0 HG2 ARG A 27 -6.430 8.066 4.003 1.00 0.38 H new ATOM 0 HG3 ARG A 27 -5.152 7.406 5.004 1.00 0.38 H new ATOM 0 HD2 ARG A 27 -3.522 9.024 3.986 1.00 0.52 H new ATOM 0 HD3 ARG A 27 -4.804 9.687 2.991 1.00 0.52 H new ATOM 0 HE ARG A 27 -4.330 10.199 5.833 1.00 0.72 H new ATOM 0 HH11 ARG A 27 -6.782 10.219 3.273 1.00 3.71 H new ATOM 0 HH12 ARG A 27 -7.811 11.389 4.106 1.00 3.71 H new ATOM 0 HH21 ARG A 27 -5.656 11.699 6.910 1.00 1.99 H new ATOM 0 HH22 ARG A 27 -7.172 12.229 6.173 1.00 1.99 H new ATOM 389 N GLN A 28 -7.724 5.798 1.943 1.00 0.37 N ATOM 390 CA GLN A 28 -9.168 5.939 1.866 1.00 0.42 C ATOM 391 C GLN A 28 -9.944 4.748 2.438 1.00 0.38 C ATOM 392 O GLN A 28 -11.150 4.878 2.624 1.00 0.42 O ATOM 393 CB GLN A 28 -9.606 6.313 0.449 1.00 0.51 C ATOM 394 CG GLN A 28 -9.356 5.154 -0.509 1.00 0.46 C ATOM 395 CD GLN A 28 -9.510 5.589 -1.959 1.00 0.65 C ATOM 396 OE1 GLN A 28 -10.407 5.148 -2.670 1.00 0.81 O ATOM 397 NE2 GLN A 28 -8.631 6.480 -2.406 1.00 0.83 N ATOM 0 H GLN A 28 -7.257 5.824 1.036 1.00 0.37 H new ATOM 0 HA GLN A 28 -9.432 6.767 2.524 1.00 0.42 H new ATOM 0 HB2 GLN A 28 -10.664 6.574 0.446 1.00 0.51 H new ATOM 0 HB3 GLN A 28 -9.060 7.194 0.114 1.00 0.51 H new ATOM 0 HG2 GLN A 28 -8.352 4.759 -0.351 1.00 0.46 H new ATOM 0 HG3 GLN A 28 -10.054 4.345 -0.294 1.00 0.46 H new ATOM 0 HE21 GLN A 28 -7.897 6.826 -1.788 1.00 0.83 H new ATOM 0 HE22 GLN A 28 -8.690 6.817 -3.367 1.00 0.83 H new ATOM 406 N LEU A 29 -9.310 3.582 2.647 1.00 0.33 N ATOM 407 CA LEU A 29 -10.028 2.372 3.019 1.00 0.33 C ATOM 408 C LEU A 29 -10.874 2.565 4.284 1.00 0.32 C ATOM 409 O LEU A 29 -12.098 2.532 4.196 1.00 0.41 O ATOM 410 CB LEU A 29 -9.032 1.216 3.164 1.00 0.32 C ATOM 411 CG LEU A 29 -8.437 0.792 1.811 1.00 0.39 C ATOM 412 CD1 LEU A 29 -7.256 -0.146 2.076 1.00 0.45 C ATOM 413 CD2 LEU A 29 -9.488 0.112 0.932 1.00 0.48 C ATOM 0 H LEU A 29 -8.301 3.462 2.562 1.00 0.33 H new ATOM 0 HA LEU A 29 -10.735 2.129 2.226 1.00 0.33 H new ATOM 0 HB2 LEU A 29 -8.227 1.514 3.836 1.00 0.32 H new ATOM 0 HB3 LEU A 29 -9.532 0.363 3.623 1.00 0.32 H new ATOM 0 HG LEU A 29 -8.095 1.675 1.271 1.00 0.39 H new ATOM 0 HD11 LEU A 29 -6.820 -0.458 1.127 1.00 0.45 H new ATOM 0 HD12 LEU A 29 -6.503 0.375 2.668 1.00 0.45 H new ATOM 0 HD13 LEU A 29 -7.603 -1.023 2.622 1.00 0.45 H new ATOM 0 HD21 LEU A 29 -9.037 -0.176 -0.018 1.00 0.48 H new ATOM 0 HD22 LEU A 29 -9.866 -0.776 1.438 1.00 0.48 H new ATOM 0 HD23 LEU A 29 -10.311 0.803 0.748 1.00 0.48 H new ATOM 425 N ALA A 30 -10.219 2.724 5.443 1.00 0.33 N ATOM 426 CA ALA A 30 -10.789 2.948 6.768 1.00 0.45 C ATOM 427 C ALA A 30 -9.766 2.557 7.837 1.00 0.45 C ATOM 428 O ALA A 30 -9.295 3.401 8.588 1.00 0.48 O ATOM 429 CB ALA A 30 -12.050 2.113 6.965 1.00 0.53 C ATOM 0 H ALA A 30 -9.200 2.696 5.475 1.00 0.33 H new ATOM 0 HA ALA A 30 -11.045 4.004 6.856 1.00 0.45 H new ATOM 0 HB1 ALA A 30 -12.456 2.297 7.960 1.00 0.53 H new ATOM 0 HB2 ALA A 30 -12.790 2.389 6.214 1.00 0.53 H new ATOM 0 HB3 ALA A 30 -11.806 1.056 6.863 1.00 0.53 H new ATOM 435 N GLY A 31 -9.444 1.257 7.892 1.00 0.46 N ATOM 436 CA GLY A 31 -8.548 0.637 8.864 1.00 0.49 C ATOM 437 C GLY A 31 -7.282 1.452 9.127 1.00 0.52 C ATOM 438 O GLY A 31 -6.839 1.611 10.262 1.00 0.65 O ATOM 0 H GLY A 31 -9.822 0.582 7.227 1.00 0.46 H new ATOM 0 HA2 GLY A 31 -9.083 0.497 9.803 1.00 0.49 H new ATOM 0 HA3 GLY A 31 -8.266 -0.354 8.507 1.00 0.49 H new ATOM 442 N VAL A 32 -6.635 1.845 8.032 1.00 0.41 N ATOM 443 CA VAL A 32 -5.306 2.400 8.030 1.00 0.38 C ATOM 444 C VAL A 32 -5.215 3.691 8.840 1.00 0.40 C ATOM 445 O VAL A 32 -5.968 4.635 8.620 1.00 0.48 O ATOM 446 CB VAL A 32 -4.763 2.482 6.601 1.00 0.39 C ATOM 447 CG1 VAL A 32 -5.814 2.673 5.516 1.00 0.34 C ATOM 448 CG2 VAL A 32 -3.706 3.565 6.439 1.00 0.48 C ATOM 0 H VAL A 32 -7.043 1.779 7.100 1.00 0.41 H new ATOM 0 HA VAL A 32 -4.636 1.723 8.559 1.00 0.38 H new ATOM 0 HB VAL A 32 -4.322 1.496 6.457 1.00 0.39 H new ATOM 0 HG11 VAL A 32 -5.327 2.719 4.542 1.00 0.34 H new ATOM 0 HG12 VAL A 32 -6.512 1.836 5.534 1.00 0.34 H new ATOM 0 HG13 VAL A 32 -6.356 3.601 5.694 1.00 0.34 H new ATOM 0 HG21 VAL A 32 -3.355 3.580 5.407 1.00 0.48 H new ATOM 0 HG22 VAL A 32 -4.137 4.534 6.690 1.00 0.48 H new ATOM 0 HG23 VAL A 32 -2.868 3.358 7.104 1.00 0.48 H new ATOM 458 N ASN A 33 -4.241 3.714 9.750 1.00 0.36 N ATOM 459 CA ASN A 33 -3.993 4.809 10.672 1.00 0.48 C ATOM 460 C ASN A 33 -2.902 5.700 10.099 1.00 0.51 C ATOM 461 O ASN A 33 -3.064 6.919 10.067 1.00 0.81 O ATOM 462 CB ASN A 33 -3.574 4.235 12.031 1.00 0.53 C ATOM 463 CG ASN A 33 -4.751 3.542 12.713 1.00 0.70 C ATOM 464 OD1 ASN A 33 -5.848 4.088 12.763 1.00 0.87 O ATOM 465 ND2 ASN A 33 -4.561 2.345 13.252 1.00 0.98 N ATOM 0 H ASN A 33 -3.584 2.942 9.865 1.00 0.36 H new ATOM 0 HA ASN A 33 -4.895 5.405 10.810 1.00 0.48 H new ATOM 0 HB2 ASN A 33 -2.758 3.526 11.895 1.00 0.53 H new ATOM 0 HB3 ASN A 33 -3.198 5.035 12.669 1.00 0.53 H new ATOM 0 HD21 ASN A 33 -5.333 1.866 13.716 1.00 0.98 H new ATOM 0 HD22 ASN A 33 -3.643 1.903 13.203 1.00 0.98 H new ATOM 472 N GLN A 34 -1.808 5.101 9.618 1.00 0.28 N ATOM 473 CA GLN A 34 -0.755 5.826 8.921 1.00 0.31 C ATOM 474 C GLN A 34 -0.343 5.027 7.686 1.00 0.28 C ATOM 475 O GLN A 34 -0.200 3.806 7.738 1.00 0.39 O ATOM 476 CB GLN A 34 0.413 6.112 9.880 1.00 0.39 C ATOM 477 CG GLN A 34 1.553 6.925 9.249 1.00 0.46 C ATOM 478 CD GLN A 34 1.082 8.281 8.731 1.00 0.88 C ATOM 479 OE1 GLN A 34 0.623 9.121 9.497 1.00 1.24 O ATOM 480 NE2 GLN A 34 1.175 8.513 7.424 1.00 2.65 N ATOM 0 H GLN A 34 -1.633 4.100 9.704 1.00 0.28 H new ATOM 0 HA GLN A 34 -1.111 6.798 8.579 1.00 0.31 H new ATOM 0 HB2 GLN A 34 0.033 6.651 10.748 1.00 0.39 H new ATOM 0 HB3 GLN A 34 0.813 5.165 10.242 1.00 0.39 H new ATOM 0 HG2 GLN A 34 2.341 7.075 9.987 1.00 0.46 H new ATOM 0 HG3 GLN A 34 1.990 6.357 8.428 1.00 0.46 H new ATOM 0 HE21 GLN A 34 1.560 7.799 6.805 1.00 2.65 H new ATOM 0 HE22 GLN A 34 0.861 9.405 7.041 1.00 2.65 H new ATOM 489 N VAL A 35 -0.179 5.734 6.565 1.00 0.31 N ATOM 490 CA VAL A 35 0.339 5.203 5.324 1.00 0.33 C ATOM 491 C VAL A 35 1.828 5.511 5.234 1.00 0.32 C ATOM 492 O VAL A 35 2.263 6.573 5.681 1.00 0.49 O ATOM 493 CB VAL A 35 -0.403 5.835 4.134 1.00 0.62 C ATOM 494 CG1 VAL A 35 -1.761 5.167 3.956 1.00 1.47 C ATOM 495 CG2 VAL A 35 -0.595 7.358 4.213 1.00 2.43 C ATOM 0 H VAL A 35 -0.414 6.725 6.506 1.00 0.31 H new ATOM 0 HA VAL A 35 0.188 4.124 5.296 1.00 0.33 H new ATOM 0 HB VAL A 35 0.245 5.663 3.274 1.00 0.62 H new ATOM 0 HG11 VAL A 35 -2.281 5.619 3.112 1.00 1.47 H new ATOM 0 HG12 VAL A 35 -1.621 4.103 3.768 1.00 1.47 H new ATOM 0 HG13 VAL A 35 -2.354 5.301 4.861 1.00 1.47 H new ATOM 0 HG21 VAL A 35 -1.128 7.704 3.327 1.00 2.43 H new ATOM 0 HG22 VAL A 35 -1.172 7.606 5.104 1.00 2.43 H new ATOM 0 HG23 VAL A 35 0.379 7.845 4.264 1.00 2.43 H new ATOM 505 N GLN A 36 2.597 4.602 4.631 1.00 0.26 N ATOM 506 CA GLN A 36 3.980 4.840 4.272 1.00 0.30 C ATOM 507 C GLN A 36 4.267 4.113 2.955 1.00 0.28 C ATOM 508 O GLN A 36 4.797 3.001 2.944 1.00 0.27 O ATOM 509 CB GLN A 36 4.883 4.363 5.412 1.00 0.37 C ATOM 510 CG GLN A 36 6.356 4.710 5.162 1.00 0.48 C ATOM 511 CD GLN A 36 7.278 3.701 5.833 1.00 0.85 C ATOM 512 OE1 GLN A 36 8.129 3.102 5.176 1.00 2.30 O ATOM 513 NE2 GLN A 36 7.103 3.479 7.131 1.00 0.83 N ATOM 0 H GLN A 36 2.264 3.671 4.379 1.00 0.26 H new ATOM 0 HA GLN A 36 4.178 5.902 4.124 1.00 0.30 H new ATOM 0 HB2 GLN A 36 4.557 4.818 6.347 1.00 0.37 H new ATOM 0 HB3 GLN A 36 4.780 3.284 5.529 1.00 0.37 H new ATOM 0 HG2 GLN A 36 6.551 4.729 4.090 1.00 0.48 H new ATOM 0 HG3 GLN A 36 6.567 5.709 5.542 1.00 0.48 H new ATOM 0 HE21 GLN A 36 6.388 3.994 7.645 1.00 0.83 H new ATOM 0 HE22 GLN A 36 7.684 2.794 7.614 1.00 0.83 H new ATOM 522 N VAL A 37 3.965 4.767 1.835 1.00 0.32 N ATOM 523 CA VAL A 37 4.274 4.270 0.509 1.00 0.32 C ATOM 524 C VAL A 37 5.627 4.846 0.100 1.00 0.39 C ATOM 525 O VAL A 37 5.733 6.044 -0.155 1.00 0.53 O ATOM 526 CB VAL A 37 3.185 4.722 -0.473 1.00 0.48 C ATOM 527 CG1 VAL A 37 3.560 4.248 -1.877 1.00 2.23 C ATOM 528 CG2 VAL A 37 1.823 4.128 -0.110 1.00 2.04 C ATOM 0 H VAL A 37 3.491 5.670 1.830 1.00 0.32 H new ATOM 0 HA VAL A 37 4.313 3.181 0.502 1.00 0.32 H new ATOM 0 HB VAL A 37 3.114 5.809 -0.428 1.00 0.48 H new ATOM 0 HG11 VAL A 37 2.793 4.563 -2.584 1.00 2.23 H new ATOM 0 HG12 VAL A 37 4.518 4.681 -2.163 1.00 2.23 H new ATOM 0 HG13 VAL A 37 3.636 3.161 -1.886 1.00 2.23 H new ATOM 0 HG21 VAL A 37 1.075 4.469 -0.826 1.00 2.04 H new ATOM 0 HG22 VAL A 37 1.882 3.040 -0.137 1.00 2.04 H new ATOM 0 HG23 VAL A 37 1.540 4.452 0.892 1.00 2.04 H new ATOM 538 N LEU A 38 6.661 4.002 0.029 1.00 0.35 N ATOM 539 CA LEU A 38 7.982 4.398 -0.407 1.00 0.39 C ATOM 540 C LEU A 38 8.222 3.815 -1.802 1.00 0.37 C ATOM 541 O LEU A 38 8.852 2.766 -1.977 1.00 0.40 O ATOM 542 CB LEU A 38 9.009 3.959 0.638 1.00 0.45 C ATOM 543 CG LEU A 38 10.406 4.484 0.296 1.00 0.53 C ATOM 544 CD1 LEU A 38 10.531 6.004 0.459 1.00 0.68 C ATOM 545 CD2 LEU A 38 11.430 3.798 1.204 1.00 0.55 C ATOM 0 H LEU A 38 6.592 3.015 0.278 1.00 0.35 H new ATOM 0 HA LEU A 38 8.080 5.480 -0.491 1.00 0.39 H new ATOM 0 HB2 LEU A 38 8.711 4.324 1.621 1.00 0.45 H new ATOM 0 HB3 LEU A 38 9.031 2.871 0.696 1.00 0.45 H new ATOM 0 HG LEU A 38 10.590 4.256 -0.754 1.00 0.53 H new ATOM 0 HD11 LEU A 38 11.543 6.315 0.202 1.00 0.68 H new ATOM 0 HD12 LEU A 38 9.820 6.500 -0.201 1.00 0.68 H new ATOM 0 HD13 LEU A 38 10.318 6.278 1.492 1.00 0.68 H new ATOM 0 HD21 LEU A 38 12.429 4.165 0.968 1.00 0.55 H new ATOM 0 HD22 LEU A 38 11.198 4.019 2.246 1.00 0.55 H new ATOM 0 HD23 LEU A 38 11.393 2.720 1.045 1.00 0.55 H new ATOM 557 N PHE A 39 7.700 4.530 -2.799 1.00 0.35 N ATOM 558 CA PHE A 39 7.939 4.241 -4.201 1.00 0.34 C ATOM 559 C PHE A 39 9.435 4.332 -4.521 1.00 0.39 C ATOM 560 O PHE A 39 10.215 4.819 -3.700 1.00 0.45 O ATOM 561 CB PHE A 39 7.114 5.203 -5.063 1.00 0.40 C ATOM 562 CG PHE A 39 7.799 6.506 -5.419 1.00 0.29 C ATOM 563 CD1 PHE A 39 7.897 7.553 -4.484 1.00 1.67 C ATOM 564 CD2 PHE A 39 8.371 6.652 -6.696 1.00 1.86 C ATOM 565 CE1 PHE A 39 8.473 8.776 -4.865 1.00 1.66 C ATOM 566 CE2 PHE A 39 8.962 7.866 -7.070 1.00 1.95 C ATOM 567 CZ PHE A 39 8.974 8.941 -6.169 1.00 0.64 C ATOM 0 H PHE A 39 7.092 5.335 -2.647 1.00 0.35 H new ATOM 0 HA PHE A 39 7.625 3.222 -4.425 1.00 0.34 H new ATOM 0 HB2 PHE A 39 6.839 4.692 -5.986 1.00 0.40 H new ATOM 0 HB3 PHE A 39 6.187 5.431 -4.537 1.00 0.40 H new ATOM 0 HD1 PHE A 39 7.531 7.417 -3.477 1.00 1.67 H new ATOM 0 HD2 PHE A 39 8.354 5.825 -7.391 1.00 1.86 H new ATOM 0 HE1 PHE A 39 8.531 9.589 -4.157 1.00 1.66 H new ATOM 0 HE2 PHE A 39 9.407 7.974 -8.048 1.00 1.95 H new ATOM 0 HZ PHE A 39 9.369 9.898 -6.477 1.00 0.64 H new ATOM 577 N ALA A 40 9.833 3.842 -5.701 1.00 0.41 N ATOM 578 CA ALA A 40 11.209 3.792 -6.198 1.00 0.47 C ATOM 579 C ALA A 40 12.039 2.755 -5.434 1.00 0.53 C ATOM 580 O ALA A 40 12.591 1.834 -6.027 1.00 0.65 O ATOM 581 CB ALA A 40 11.862 5.182 -6.209 1.00 0.56 C ATOM 0 H ALA A 40 9.168 3.450 -6.368 1.00 0.41 H new ATOM 0 HA ALA A 40 11.175 3.464 -7.237 1.00 0.47 H new ATOM 0 HB1 ALA A 40 12.882 5.102 -6.584 1.00 0.56 H new ATOM 0 HB2 ALA A 40 11.289 5.848 -6.854 1.00 0.56 H new ATOM 0 HB3 ALA A 40 11.879 5.584 -5.196 1.00 0.56 H new ATOM 587 N THR A 41 12.073 2.872 -4.106 1.00 0.61 N ATOM 588 CA THR A 41 12.569 1.849 -3.194 1.00 0.71 C ATOM 589 C THR A 41 11.701 0.584 -3.261 1.00 0.63 C ATOM 590 O THR A 41 12.128 -0.473 -2.804 1.00 0.98 O ATOM 591 CB THR A 41 12.624 2.410 -1.764 1.00 0.80 C ATOM 592 OG1 THR A 41 13.072 3.756 -1.757 1.00 1.28 O ATOM 593 CG2 THR A 41 13.585 1.610 -0.880 1.00 1.03 C ATOM 0 H THR A 41 11.745 3.709 -3.624 1.00 0.61 H new ATOM 0 HA THR A 41 13.578 1.567 -3.497 1.00 0.71 H new ATOM 0 HB THR A 41 11.608 2.341 -1.374 1.00 0.80 H new ATOM 0 HG1 THR A 41 13.543 3.940 -0.917 1.00 1.28 H new ATOM 0 HG21 THR A 41 13.597 2.036 0.123 1.00 1.03 H new ATOM 0 HG22 THR A 41 13.255 0.573 -0.829 1.00 1.03 H new ATOM 0 HG23 THR A 41 14.588 1.651 -1.304 1.00 1.03 H new ATOM 601 N GLU A 42 10.492 0.693 -3.824 1.00 0.76 N ATOM 602 CA GLU A 42 9.660 -0.436 -4.209 1.00 0.69 C ATOM 603 C GLU A 42 9.074 -1.136 -2.976 1.00 0.60 C ATOM 604 O GLU A 42 8.953 -2.360 -2.951 1.00 0.72 O ATOM 605 CB GLU A 42 10.453 -1.368 -5.152 1.00 0.96 C ATOM 606 CG GLU A 42 9.572 -2.305 -5.988 1.00 1.22 C ATOM 607 CD GLU A 42 10.404 -3.143 -6.954 1.00 2.08 C ATOM 608 OE1 GLU A 42 11.273 -3.892 -6.456 1.00 2.83 O ATOM 609 OE2 GLU A 42 10.170 -3.007 -8.174 1.00 3.12 O ATOM 0 H GLU A 42 10.061 1.595 -4.027 1.00 0.76 H new ATOM 0 HA GLU A 42 8.795 -0.087 -4.773 1.00 0.69 H new ATOM 0 HB2 GLU A 42 11.058 -0.759 -5.824 1.00 0.96 H new ATOM 0 HB3 GLU A 42 11.142 -1.968 -4.558 1.00 0.96 H new ATOM 0 HG2 GLU A 42 9.009 -2.963 -5.326 1.00 1.22 H new ATOM 0 HG3 GLU A 42 8.844 -1.718 -6.548 1.00 1.22 H new ATOM 616 N LYS A 43 8.647 -0.376 -1.957 1.00 0.47 N ATOM 617 CA LYS A 43 7.888 -0.971 -0.876 1.00 0.35 C ATOM 618 C LYS A 43 6.904 0.012 -0.300 1.00 0.34 C ATOM 619 O LYS A 43 7.103 1.227 -0.322 1.00 0.44 O ATOM 620 CB LYS A 43 8.817 -1.571 0.188 1.00 0.44 C ATOM 621 CG LYS A 43 9.417 -0.610 1.226 1.00 1.12 C ATOM 622 CD LYS A 43 8.454 -0.136 2.324 1.00 0.79 C ATOM 623 CE LYS A 43 9.204 0.303 3.595 1.00 1.46 C ATOM 624 NZ LYS A 43 9.647 1.711 3.538 1.00 3.06 N ATOM 0 H LYS A 43 8.815 0.626 -1.869 1.00 0.47 H new ATOM 0 HA LYS A 43 7.304 -1.797 -1.281 1.00 0.35 H new ATOM 0 HB2 LYS A 43 8.262 -2.342 0.723 1.00 0.44 H new ATOM 0 HB3 LYS A 43 9.640 -2.069 -0.325 1.00 0.44 H new ATOM 0 HG2 LYS A 43 10.267 -1.100 1.700 1.00 1.12 H new ATOM 0 HG3 LYS A 43 9.804 0.265 0.704 1.00 1.12 H new ATOM 0 HD2 LYS A 43 7.857 0.695 1.949 1.00 0.79 H new ATOM 0 HD3 LYS A 43 7.761 -0.940 2.571 1.00 0.79 H new ATOM 0 HE2 LYS A 43 8.556 0.165 4.460 1.00 1.46 H new ATOM 0 HE3 LYS A 43 10.071 -0.341 3.741 1.00 1.46 H new ATOM 0 HZ1 LYS A 43 10.683 1.753 3.622 1.00 3.06 H new ATOM 0 HZ2 LYS A 43 9.356 2.130 2.632 1.00 3.06 H new ATOM 0 HZ3 LYS A 43 9.214 2.243 4.320 1.00 3.06 H new ATOM 638 N LEU A 44 5.837 -0.536 0.258 1.00 0.32 N ATOM 639 CA LEU A 44 4.793 0.185 0.891 1.00 0.27 C ATOM 640 C LEU A 44 4.611 -0.517 2.228 1.00 0.18 C ATOM 641 O LEU A 44 4.781 -1.731 2.307 1.00 0.25 O ATOM 642 CB LEU A 44 3.655 0.074 -0.110 1.00 0.32 C ATOM 643 CG LEU A 44 2.270 -0.076 0.435 1.00 0.49 C ATOM 644 CD1 LEU A 44 1.935 0.945 1.502 1.00 0.63 C ATOM 645 CD2 LEU A 44 1.350 -0.009 -0.758 1.00 0.77 C ATOM 0 H LEU A 44 5.687 -1.545 0.272 1.00 0.32 H new ATOM 0 HA LEU A 44 4.927 1.242 1.120 1.00 0.27 H new ATOM 0 HB2 LEU A 44 3.674 0.962 -0.741 1.00 0.32 H new ATOM 0 HB3 LEU A 44 3.857 -0.780 -0.756 1.00 0.32 H new ATOM 0 HG LEU A 44 2.160 -1.026 0.958 1.00 0.49 H new ATOM 0 HD11 LEU A 44 0.917 0.781 1.855 1.00 0.63 H new ATOM 0 HD12 LEU A 44 2.630 0.841 2.336 1.00 0.63 H new ATOM 0 HD13 LEU A 44 2.017 1.948 1.084 1.00 0.63 H new ATOM 0 HD21 LEU A 44 0.317 -0.113 -0.427 1.00 0.77 H new ATOM 0 HD22 LEU A 44 1.475 0.950 -1.261 1.00 0.77 H new ATOM 0 HD23 LEU A 44 1.592 -0.816 -1.450 1.00 0.77 H new ATOM 657 N VAL A 45 4.358 0.269 3.268 1.00 0.20 N ATOM 658 CA VAL A 45 4.121 -0.089 4.633 1.00 0.18 C ATOM 659 C VAL A 45 2.832 0.626 5.016 1.00 0.17 C ATOM 660 O VAL A 45 2.585 1.760 4.592 1.00 0.19 O ATOM 661 CB VAL A 45 5.319 0.324 5.504 1.00 0.24 C ATOM 662 CG1 VAL A 45 4.904 0.708 6.926 1.00 0.25 C ATOM 663 CG2 VAL A 45 6.279 -0.862 5.571 1.00 0.32 C ATOM 0 H VAL A 45 4.312 1.281 3.145 1.00 0.20 H new ATOM 0 HA VAL A 45 4.014 -1.164 4.781 1.00 0.18 H new ATOM 0 HB VAL A 45 5.785 1.201 5.055 1.00 0.24 H new ATOM 0 HG11 VAL A 45 5.787 0.991 7.499 1.00 0.25 H new ATOM 0 HG12 VAL A 45 4.211 1.548 6.888 1.00 0.25 H new ATOM 0 HG13 VAL A 45 4.418 -0.142 7.405 1.00 0.25 H new ATOM 0 HG21 VAL A 45 7.141 -0.598 6.184 1.00 0.32 H new ATOM 0 HG22 VAL A 45 5.769 -1.719 6.012 1.00 0.32 H new ATOM 0 HG23 VAL A 45 6.613 -1.117 4.565 1.00 0.32 H new ATOM 673 N VAL A 46 2.006 -0.072 5.779 1.00 0.21 N ATOM 674 CA VAL A 46 0.728 0.400 6.254 1.00 0.17 C ATOM 675 C VAL A 46 0.684 0.082 7.741 1.00 0.17 C ATOM 676 O VAL A 46 0.950 -1.061 8.122 1.00 0.27 O ATOM 677 CB VAL A 46 -0.367 -0.327 5.461 1.00 0.26 C ATOM 678 CG1 VAL A 46 -1.667 -0.515 6.233 1.00 0.60 C ATOM 679 CG2 VAL A 46 -0.676 0.393 4.141 1.00 0.26 C ATOM 0 H VAL A 46 2.222 -1.018 6.093 1.00 0.21 H new ATOM 0 HA VAL A 46 0.576 1.470 6.114 1.00 0.17 H new ATOM 0 HB VAL A 46 0.045 -1.317 5.264 1.00 0.26 H new ATOM 0 HG11 VAL A 46 -2.390 -1.036 5.606 1.00 0.60 H new ATOM 0 HG12 VAL A 46 -1.475 -1.103 7.131 1.00 0.60 H new ATOM 0 HG13 VAL A 46 -2.067 0.459 6.515 1.00 0.60 H new ATOM 0 HG21 VAL A 46 -1.455 -0.149 3.605 1.00 0.26 H new ATOM 0 HG22 VAL A 46 -1.017 1.407 4.351 1.00 0.26 H new ATOM 0 HG23 VAL A 46 0.225 0.433 3.529 1.00 0.26 H new ATOM 689 N ASP A 47 0.322 1.086 8.542 1.00 0.16 N ATOM 690 CA ASP A 47 0.126 0.952 9.968 1.00 0.18 C ATOM 691 C ASP A 47 -1.391 0.931 10.129 1.00 0.20 C ATOM 692 O ASP A 47 -2.042 1.969 9.961 1.00 0.29 O ATOM 693 CB ASP A 47 0.775 2.139 10.692 1.00 0.31 C ATOM 694 CG ASP A 47 2.286 2.267 10.486 1.00 1.04 C ATOM 695 OD1 ASP A 47 2.894 1.352 9.886 1.00 1.77 O ATOM 696 OD2 ASP A 47 2.818 3.304 10.936 1.00 2.37 O ATOM 0 H ASP A 47 0.156 2.032 8.199 1.00 0.16 H new ATOM 0 HA ASP A 47 0.582 0.059 10.396 1.00 0.18 H new ATOM 0 HB2 ASP A 47 0.297 3.058 10.354 1.00 0.31 H new ATOM 0 HB3 ASP A 47 0.574 2.049 11.760 1.00 0.31 H new ATOM 701 N ALA A 48 -1.965 -0.258 10.336 1.00 0.24 N ATOM 702 CA ALA A 48 -3.412 -0.437 10.340 1.00 0.33 C ATOM 703 C ALA A 48 -3.838 -1.429 11.405 1.00 0.68 C ATOM 704 O ALA A 48 -3.608 -2.632 11.288 1.00 1.19 O ATOM 705 CB ALA A 48 -3.909 -0.933 8.995 1.00 0.41 C ATOM 0 H ALA A 48 -1.440 -1.116 10.504 1.00 0.24 H new ATOM 0 HA ALA A 48 -3.849 0.539 10.553 1.00 0.33 H new ATOM 0 HB1 ALA A 48 -4.991 -1.057 9.030 1.00 0.41 H new ATOM 0 HB2 ALA A 48 -3.651 -0.209 8.222 1.00 0.41 H new ATOM 0 HB3 ALA A 48 -3.442 -1.891 8.765 1.00 0.41 H new ATOM 711 N ASP A 49 -4.539 -0.925 12.410 1.00 0.60 N ATOM 712 CA ASP A 49 -4.698 -1.630 13.670 1.00 0.86 C ATOM 713 C ASP A 49 -6.116 -2.150 13.772 1.00 0.81 C ATOM 714 O ASP A 49 -6.878 -1.833 14.681 1.00 1.00 O ATOM 715 CB ASP A 49 -4.255 -0.708 14.799 1.00 1.17 C ATOM 716 CG ASP A 49 -2.825 -0.295 14.523 1.00 1.79 C ATOM 717 OD1 ASP A 49 -2.001 -1.229 14.447 1.00 2.84 O ATOM 718 OD2 ASP A 49 -2.590 0.906 14.269 1.00 2.42 O ATOM 0 H ASP A 49 -5.010 -0.021 12.374 1.00 0.60 H new ATOM 0 HA ASP A 49 -4.063 -2.514 13.740 1.00 0.86 H new ATOM 0 HB2 ASP A 49 -4.902 0.168 14.854 1.00 1.17 H new ATOM 0 HB3 ASP A 49 -4.327 -1.218 15.760 1.00 1.17 H new ATOM 723 N ASN A 50 -6.453 -2.955 12.767 1.00 0.64 N ATOM 724 CA ASN A 50 -7.752 -3.583 12.603 1.00 0.51 C ATOM 725 C ASN A 50 -7.513 -4.676 11.575 1.00 0.55 C ATOM 726 O ASN A 50 -6.946 -5.703 11.937 1.00 0.99 O ATOM 727 CB ASN A 50 -8.913 -2.601 12.282 1.00 0.65 C ATOM 728 CG ASN A 50 -8.545 -1.136 12.043 1.00 2.33 C ATOM 729 OD1 ASN A 50 -7.486 -0.859 11.286 1.00 3.09 O flip ATOM 730 ND2 ASN A 50 -9.233 -0.240 12.517 1.00 3.51 N flip ATOM 0 H ASN A 50 -5.801 -3.194 12.019 1.00 0.64 H new ATOM 0 HA ASN A 50 -8.122 -4.002 13.539 1.00 0.51 H new ATOM 0 HB2 ASN A 50 -9.430 -2.968 11.396 1.00 0.65 H new ATOM 0 HB3 ASN A 50 -9.626 -2.640 13.106 1.00 0.65 H new ATOM 0 HD21 ASN A 50 -10.041 -0.469 13.095 1.00 3.51 H new ATOM 0 HD22 ASN A 50 -8.997 0.735 12.333 1.00 3.51 H new ATOM 737 N ASP A 51 -7.843 -4.449 10.298 1.00 0.50 N ATOM 738 CA ASP A 51 -7.575 -5.421 9.252 1.00 0.65 C ATOM 739 C ASP A 51 -7.922 -4.828 7.892 1.00 0.52 C ATOM 740 O ASP A 51 -9.093 -4.741 7.523 1.00 0.86 O ATOM 741 CB ASP A 51 -8.388 -6.701 9.477 1.00 0.97 C ATOM 742 CG ASP A 51 -7.634 -7.959 9.026 1.00 1.16 C ATOM 743 OD1 ASP A 51 -6.578 -7.839 8.356 1.00 1.43 O ATOM 744 OD2 ASP A 51 -8.089 -9.067 9.372 1.00 2.28 O ATOM 0 H ASP A 51 -8.297 -3.596 9.972 1.00 0.50 H new ATOM 0 HA ASP A 51 -6.515 -5.672 9.281 1.00 0.65 H new ATOM 0 HB2 ASP A 51 -8.637 -6.789 10.535 1.00 0.97 H new ATOM 0 HB3 ASP A 51 -9.330 -6.630 8.933 1.00 0.97 H new ATOM 749 N ILE A 52 -6.916 -4.356 7.163 1.00 0.39 N ATOM 750 CA ILE A 52 -7.133 -3.797 5.835 1.00 0.38 C ATOM 751 C ILE A 52 -6.060 -4.140 4.831 1.00 0.46 C ATOM 752 O ILE A 52 -6.299 -3.915 3.662 1.00 0.31 O ATOM 753 CB ILE A 52 -7.277 -2.281 5.861 1.00 0.39 C ATOM 754 CG1 ILE A 52 -6.073 -1.609 6.526 1.00 0.39 C ATOM 755 CG2 ILE A 52 -8.578 -1.861 6.514 1.00 0.39 C ATOM 756 CD1 ILE A 52 -4.929 -1.401 5.544 1.00 0.47 C ATOM 0 H ILE A 52 -5.943 -4.350 7.470 1.00 0.39 H new ATOM 0 HA ILE A 52 -8.064 -4.265 5.515 1.00 0.38 H new ATOM 0 HB ILE A 52 -7.304 -1.940 4.826 1.00 0.39 H new ATOM 0 HG12 ILE A 52 -6.376 -0.647 6.940 1.00 0.39 H new ATOM 0 HG13 ILE A 52 -5.730 -2.221 7.360 1.00 0.39 H new ATOM 0 HG21 ILE A 52 -8.649 -0.773 6.516 1.00 0.39 H new ATOM 0 HG22 ILE A 52 -9.416 -2.279 5.956 1.00 0.39 H new ATOM 0 HG23 ILE A 52 -8.606 -2.229 7.540 1.00 0.39 H new ATOM 0 HD11 ILE A 52 -4.094 -0.922 6.055 1.00 0.47 H new ATOM 0 HD12 ILE A 52 -4.608 -2.365 5.150 1.00 0.47 H new ATOM 0 HD13 ILE A 52 -5.265 -0.767 4.723 1.00 0.47 H new ATOM 768 N ARG A 53 -4.892 -4.645 5.205 1.00 0.79 N ATOM 769 CA ARG A 53 -3.903 -5.113 4.236 1.00 0.57 C ATOM 770 C ARG A 53 -4.529 -5.932 3.105 1.00 0.42 C ATOM 771 O ARG A 53 -4.190 -5.735 1.944 1.00 0.26 O ATOM 772 CB ARG A 53 -2.825 -5.948 4.928 1.00 0.66 C ATOM 773 CG ARG A 53 -3.460 -6.667 6.097 1.00 0.61 C ATOM 774 CD ARG A 53 -2.874 -8.034 6.304 1.00 1.04 C ATOM 775 NE ARG A 53 -3.664 -8.649 7.392 1.00 1.44 N ATOM 776 CZ ARG A 53 -4.151 -9.895 7.422 1.00 2.12 C ATOM 777 NH1 ARG A 53 -3.533 -10.861 6.736 1.00 2.45 N ATOM 778 NH2 ARG A 53 -5.260 -10.143 8.126 1.00 2.70 N ATOM 0 H ARG A 53 -4.603 -4.742 6.178 1.00 0.79 H new ATOM 0 HA ARG A 53 -3.457 -4.222 3.795 1.00 0.57 H new ATOM 0 HB2 ARG A 53 -2.394 -6.665 4.230 1.00 0.66 H new ATOM 0 HB3 ARG A 53 -2.012 -5.309 5.272 1.00 0.66 H new ATOM 0 HG2 ARG A 53 -3.327 -6.075 7.002 1.00 0.61 H new ATOM 0 HG3 ARG A 53 -4.533 -6.755 5.929 1.00 0.61 H new ATOM 0 HD2 ARG A 53 -2.935 -8.628 5.392 1.00 1.04 H new ATOM 0 HD3 ARG A 53 -1.820 -7.971 6.573 1.00 1.04 H new ATOM 0 HE ARG A 53 -3.858 -8.063 8.204 1.00 1.44 H new ATOM 0 HH11 ARG A 53 -2.696 -10.646 6.194 1.00 2.45 H new ATOM 0 HH12 ARG A 53 -3.898 -11.813 6.754 1.00 2.45 H new ATOM 0 HH21 ARG A 53 -5.723 -9.387 8.631 1.00 2.70 H new ATOM 0 HH22 ARG A 53 -5.643 -11.088 8.158 1.00 2.70 H new ATOM 792 N ALA A 54 -5.466 -6.822 3.438 1.00 0.60 N ATOM 793 CA ALA A 54 -6.177 -7.629 2.459 1.00 0.61 C ATOM 794 C ALA A 54 -7.140 -6.784 1.603 1.00 0.55 C ATOM 795 O ALA A 54 -7.460 -7.149 0.476 1.00 0.79 O ATOM 796 CB ALA A 54 -6.836 -8.797 3.181 1.00 0.81 C ATOM 0 H ALA A 54 -5.750 -7.000 4.401 1.00 0.60 H new ATOM 0 HA ALA A 54 -5.478 -8.042 1.732 1.00 0.61 H new ATOM 0 HB1 ALA A 54 -7.374 -9.413 2.461 1.00 0.81 H new ATOM 0 HB2 ALA A 54 -6.072 -9.398 3.673 1.00 0.81 H new ATOM 0 HB3 ALA A 54 -7.534 -8.417 3.926 1.00 0.81 H new ATOM 802 N GLN A 55 -7.558 -5.616 2.102 1.00 0.39 N ATOM 803 CA GLN A 55 -8.088 -4.544 1.272 1.00 0.22 C ATOM 804 C GLN A 55 -6.990 -3.872 0.442 1.00 0.18 C ATOM 805 O GLN A 55 -7.196 -3.651 -0.745 1.00 0.26 O ATOM 806 CB GLN A 55 -8.894 -3.507 2.072 1.00 0.41 C ATOM 807 CG GLN A 55 -10.406 -3.769 2.058 1.00 0.82 C ATOM 808 CD GLN A 55 -10.804 -4.942 2.945 1.00 1.39 C ATOM 809 OE1 GLN A 55 -11.125 -6.018 2.457 1.00 3.01 O ATOM 810 NE2 GLN A 55 -10.808 -4.733 4.258 1.00 1.01 N ATOM 0 H GLN A 55 -7.536 -5.393 3.097 1.00 0.39 H new ATOM 0 HA GLN A 55 -8.788 -5.017 0.583 1.00 0.22 H new ATOM 0 HB2 GLN A 55 -8.543 -3.502 3.104 1.00 0.41 H new ATOM 0 HB3 GLN A 55 -8.701 -2.515 1.665 1.00 0.41 H new ATOM 0 HG2 GLN A 55 -10.930 -2.873 2.390 1.00 0.82 H new ATOM 0 HG3 GLN A 55 -10.728 -3.966 1.035 1.00 0.82 H new ATOM 0 HE21 GLN A 55 -10.535 -3.824 4.631 1.00 1.01 H new ATOM 0 HE22 GLN A 55 -11.084 -5.482 4.893 1.00 1.01 H new ATOM 819 N VAL A 56 -5.853 -3.507 1.043 1.00 0.17 N ATOM 820 CA VAL A 56 -4.789 -2.759 0.388 1.00 0.17 C ATOM 821 C VAL A 56 -4.359 -3.480 -0.875 1.00 0.17 C ATOM 822 O VAL A 56 -4.296 -2.888 -1.946 1.00 0.20 O ATOM 823 CB VAL A 56 -3.564 -2.560 1.267 1.00 0.23 C ATOM 824 CG1 VAL A 56 -2.455 -1.855 0.474 1.00 0.26 C ATOM 825 CG2 VAL A 56 -3.940 -1.741 2.495 1.00 0.33 C ATOM 0 H VAL A 56 -5.648 -3.730 2.017 1.00 0.17 H new ATOM 0 HA VAL A 56 -5.200 -1.775 0.164 1.00 0.17 H new ATOM 0 HB VAL A 56 -3.194 -3.533 1.591 1.00 0.23 H new ATOM 0 HG11 VAL A 56 -1.582 -1.717 1.113 1.00 0.26 H new ATOM 0 HG12 VAL A 56 -2.181 -2.463 -0.388 1.00 0.26 H new ATOM 0 HG13 VAL A 56 -2.813 -0.883 0.134 1.00 0.26 H new ATOM 0 HG21 VAL A 56 -3.060 -1.601 3.122 1.00 0.33 H new ATOM 0 HG22 VAL A 56 -4.321 -0.769 2.181 1.00 0.33 H new ATOM 0 HG23 VAL A 56 -4.709 -2.266 3.061 1.00 0.33 H new ATOM 835 N GLU A 57 -4.025 -4.759 -0.721 1.00 0.20 N ATOM 836 CA GLU A 57 -3.521 -5.576 -1.800 1.00 0.27 C ATOM 837 C GLU A 57 -4.500 -5.549 -2.974 1.00 0.23 C ATOM 838 O GLU A 57 -4.152 -5.110 -4.072 1.00 0.29 O ATOM 839 CB GLU A 57 -3.126 -6.953 -1.242 1.00 0.42 C ATOM 840 CG GLU A 57 -4.204 -7.705 -0.458 1.00 0.97 C ATOM 841 CD GLU A 57 -4.883 -8.796 -1.270 1.00 1.83 C ATOM 842 OE1 GLU A 57 -5.861 -8.448 -1.964 1.00 3.11 O ATOM 843 OE2 GLU A 57 -4.405 -9.947 -1.189 1.00 2.36 O ATOM 0 H GLU A 57 -4.101 -5.253 0.168 1.00 0.20 H new ATOM 0 HA GLU A 57 -2.600 -5.183 -2.230 1.00 0.27 H new ATOM 0 HB2 GLU A 57 -2.809 -7.581 -2.075 1.00 0.42 H new ATOM 0 HB3 GLU A 57 -2.260 -6.823 -0.593 1.00 0.42 H new ATOM 0 HG2 GLU A 57 -3.755 -8.149 0.431 1.00 0.97 H new ATOM 0 HG3 GLU A 57 -4.956 -6.995 -0.115 1.00 0.97 H new ATOM 850 N SER A 58 -5.754 -5.898 -2.702 1.00 0.24 N ATOM 851 CA SER A 58 -6.854 -5.786 -3.640 1.00 0.29 C ATOM 852 C SER A 58 -6.933 -4.372 -4.229 1.00 0.27 C ATOM 853 O SER A 58 -7.132 -4.213 -5.430 1.00 0.33 O ATOM 854 CB SER A 58 -8.162 -6.183 -2.935 1.00 0.36 C ATOM 855 OG SER A 58 -9.150 -6.529 -3.893 1.00 0.86 O ATOM 0 H SER A 58 -6.035 -6.276 -1.797 1.00 0.24 H new ATOM 0 HA SER A 58 -6.688 -6.466 -4.476 1.00 0.29 H new ATOM 0 HB2 SER A 58 -7.982 -7.025 -2.267 1.00 0.36 H new ATOM 0 HB3 SER A 58 -8.516 -5.357 -2.318 1.00 0.36 H new ATOM 0 HG SER A 58 -9.756 -7.198 -3.511 1.00 0.86 H new ATOM 861 N ALA A 59 -6.792 -3.341 -3.395 1.00 0.25 N ATOM 862 CA ALA A 59 -6.967 -1.948 -3.796 1.00 0.29 C ATOM 863 C ALA A 59 -5.902 -1.554 -4.815 1.00 0.26 C ATOM 864 O ALA A 59 -6.213 -0.992 -5.859 1.00 0.31 O ATOM 865 CB ALA A 59 -6.936 -1.016 -2.578 1.00 0.32 C ATOM 0 H ALA A 59 -6.550 -3.453 -2.410 1.00 0.25 H new ATOM 0 HA ALA A 59 -7.946 -1.845 -4.264 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -7.069 0.015 -2.905 1.00 0.32 H new ATOM 0 HB2 ALA A 59 -7.740 -1.285 -1.893 1.00 0.32 H new ATOM 0 HB3 ALA A 59 -5.977 -1.115 -2.069 1.00 0.32 H new ATOM 871 N LEU A 60 -4.645 -1.869 -4.520 1.00 0.21 N ATOM 872 CA LEU A 60 -3.514 -1.653 -5.406 1.00 0.19 C ATOM 873 C LEU A 60 -3.677 -2.467 -6.685 1.00 0.21 C ATOM 874 O LEU A 60 -3.443 -1.964 -7.783 1.00 0.24 O ATOM 875 CB LEU A 60 -2.225 -2.021 -4.664 1.00 0.16 C ATOM 876 CG LEU A 60 -1.572 -0.763 -4.084 1.00 0.23 C ATOM 877 CD1 LEU A 60 -2.510 0.044 -3.192 1.00 0.35 C ATOM 878 CD2 LEU A 60 -0.380 -1.102 -3.200 1.00 0.50 C ATOM 0 H LEU A 60 -4.381 -2.294 -3.631 1.00 0.21 H new ATOM 0 HA LEU A 60 -3.464 -0.604 -5.696 1.00 0.19 H new ATOM 0 HB2 LEU A 60 -2.446 -2.727 -3.863 1.00 0.16 H new ATOM 0 HB3 LEU A 60 -1.534 -2.518 -5.345 1.00 0.16 H new ATOM 0 HG LEU A 60 -1.283 -0.187 -4.963 1.00 0.23 H new ATOM 0 HD11 LEU A 60 -1.986 0.922 -2.813 1.00 0.35 H new ATOM 0 HD12 LEU A 60 -3.378 0.361 -3.770 1.00 0.35 H new ATOM 0 HD13 LEU A 60 -2.836 -0.573 -2.355 1.00 0.35 H new ATOM 0 HD21 LEU A 60 0.055 -0.183 -2.808 1.00 0.50 H new ATOM 0 HD22 LEU A 60 -0.708 -1.730 -2.372 1.00 0.50 H new ATOM 0 HD23 LEU A 60 0.368 -1.636 -3.786 1.00 0.50 H new ATOM 890 N GLN A 61 -4.094 -3.722 -6.550 1.00 0.24 N ATOM 891 CA GLN A 61 -4.364 -4.574 -7.690 1.00 0.30 C ATOM 892 C GLN A 61 -5.428 -3.945 -8.594 1.00 0.36 C ATOM 893 O GLN A 61 -5.268 -3.913 -9.812 1.00 0.41 O ATOM 894 CB GLN A 61 -4.704 -5.976 -7.182 1.00 0.33 C ATOM 895 CG GLN A 61 -4.904 -6.952 -8.337 1.00 0.52 C ATOM 896 CD GLN A 61 -4.787 -8.396 -7.862 1.00 1.03 C ATOM 897 OE1 GLN A 61 -5.777 -9.111 -7.768 1.00 1.48 O ATOM 898 NE2 GLN A 61 -3.566 -8.831 -7.560 1.00 1.33 N ATOM 0 H GLN A 61 -4.252 -4.171 -5.648 1.00 0.24 H new ATOM 0 HA GLN A 61 -3.485 -4.673 -8.326 1.00 0.30 H new ATOM 0 HB2 GLN A 61 -3.903 -6.334 -6.535 1.00 0.33 H new ATOM 0 HB3 GLN A 61 -5.609 -5.936 -6.576 1.00 0.33 H new ATOM 0 HG2 GLN A 61 -5.884 -6.792 -8.787 1.00 0.52 H new ATOM 0 HG3 GLN A 61 -4.162 -6.760 -9.112 1.00 0.52 H new ATOM 0 HE21 GLN A 61 -2.765 -8.206 -7.651 1.00 1.33 H new ATOM 0 HE22 GLN A 61 -3.431 -9.789 -7.238 1.00 1.33 H new ATOM 907 N LYS A 62 -6.494 -3.404 -8.000 1.00 0.38 N ATOM 908 CA LYS A 62 -7.547 -2.700 -8.722 1.00 0.46 C ATOM 909 C LYS A 62 -7.029 -1.399 -9.345 1.00 0.46 C ATOM 910 O LYS A 62 -7.348 -1.094 -10.491 1.00 0.54 O ATOM 911 CB LYS A 62 -8.747 -2.477 -7.804 1.00 0.54 C ATOM 912 CG LYS A 62 -9.537 -3.792 -7.737 1.00 1.01 C ATOM 913 CD LYS A 62 -10.289 -3.871 -6.416 1.00 1.41 C ATOM 914 CE LYS A 62 -11.130 -5.153 -6.331 1.00 2.22 C ATOM 915 NZ LYS A 62 -11.419 -5.534 -4.933 1.00 3.11 N ATOM 0 H LYS A 62 -6.649 -3.445 -6.993 1.00 0.38 H new ATOM 0 HA LYS A 62 -7.879 -3.319 -9.556 1.00 0.46 H new ATOM 0 HB2 LYS A 62 -8.417 -2.179 -6.809 1.00 0.54 H new ATOM 0 HB3 LYS A 62 -9.376 -1.673 -8.186 1.00 0.54 H new ATOM 0 HG2 LYS A 62 -10.238 -3.849 -8.570 1.00 1.01 H new ATOM 0 HG3 LYS A 62 -8.859 -4.640 -7.832 1.00 1.01 H new ATOM 0 HD2 LYS A 62 -9.580 -3.843 -5.589 1.00 1.41 H new ATOM 0 HD3 LYS A 62 -10.937 -3.001 -6.311 1.00 1.41 H new ATOM 0 HE2 LYS A 62 -12.067 -5.008 -6.868 1.00 2.22 H new ATOM 0 HE3 LYS A 62 -10.601 -5.967 -6.827 1.00 2.22 H new ATOM 0 HZ1 LYS A 62 -12.172 -6.251 -4.917 1.00 3.11 H new ATOM 0 HZ2 LYS A 62 -10.560 -5.924 -4.495 1.00 3.11 H new ATOM 0 HZ3 LYS A 62 -11.728 -4.695 -4.402 1.00 3.11 H new ATOM 929 N ALA A 63 -6.240 -0.626 -8.594 1.00 0.41 N ATOM 930 CA ALA A 63 -5.647 0.621 -9.064 1.00 0.44 C ATOM 931 C ALA A 63 -4.741 0.371 -10.271 1.00 0.43 C ATOM 932 O ALA A 63 -4.738 1.161 -11.211 1.00 0.49 O ATOM 933 CB ALA A 63 -4.878 1.296 -7.925 1.00 0.42 C ATOM 0 H ALA A 63 -5.994 -0.855 -7.631 1.00 0.41 H new ATOM 0 HA ALA A 63 -6.445 1.291 -9.385 1.00 0.44 H new ATOM 0 HB1 ALA A 63 -4.438 2.226 -8.284 1.00 0.42 H new ATOM 0 HB2 ALA A 63 -5.560 1.511 -7.103 1.00 0.42 H new ATOM 0 HB3 ALA A 63 -4.087 0.632 -7.576 1.00 0.42 H new ATOM 939 N GLY A 64 -3.986 -0.731 -10.237 1.00 0.40 N ATOM 940 CA GLY A 64 -3.210 -1.235 -11.361 1.00 0.42 C ATOM 941 C GLY A 64 -1.749 -1.466 -10.989 1.00 0.38 C ATOM 942 O GLY A 64 -0.854 -1.086 -11.740 1.00 0.51 O ATOM 0 H GLY A 64 -3.899 -1.309 -9.401 1.00 0.40 H new ATOM 0 HA2 GLY A 64 -3.647 -2.170 -11.713 1.00 0.42 H new ATOM 0 HA3 GLY A 64 -3.266 -0.526 -12.187 1.00 0.42 H new ATOM 946 N TYR A 65 -1.499 -2.104 -9.842 1.00 0.26 N ATOM 947 CA TYR A 65 -0.183 -2.534 -9.410 1.00 0.24 C ATOM 948 C TYR A 65 -0.187 -4.052 -9.229 1.00 0.32 C ATOM 949 O TYR A 65 -1.245 -4.672 -9.166 1.00 0.56 O ATOM 950 CB TYR A 65 0.136 -1.826 -8.094 1.00 0.23 C ATOM 951 CG TYR A 65 0.234 -0.318 -8.218 1.00 0.28 C ATOM 952 CD1 TYR A 65 1.360 0.268 -8.825 1.00 1.85 C ATOM 953 CD2 TYR A 65 -0.859 0.488 -7.852 1.00 1.82 C ATOM 954 CE1 TYR A 65 1.378 1.648 -9.097 1.00 1.84 C ATOM 955 CE2 TYR A 65 -0.840 1.867 -8.119 1.00 1.86 C ATOM 956 CZ TYR A 65 0.265 2.441 -8.768 1.00 0.45 C ATOM 957 OH TYR A 65 0.238 3.765 -9.089 1.00 0.59 O ATOM 0 H TYR A 65 -2.234 -2.338 -9.175 1.00 0.26 H new ATOM 0 HA TYR A 65 0.577 -2.281 -10.149 1.00 0.24 H new ATOM 0 HB2 TYR A 65 -0.635 -2.072 -7.364 1.00 0.23 H new ATOM 0 HB3 TYR A 65 1.078 -2.211 -7.704 1.00 0.23 H new ATOM 0 HD1 TYR A 65 2.212 -0.343 -9.083 1.00 1.85 H new ATOM 0 HD2 TYR A 65 -1.715 0.046 -7.364 1.00 1.82 H new ATOM 0 HE1 TYR A 65 2.245 2.097 -9.558 1.00 1.84 H new ATOM 0 HE2 TYR A 65 -1.675 2.486 -7.825 1.00 1.86 H new ATOM 0 HH TYR A 65 -0.608 4.158 -8.787 1.00 0.59 H new ATOM 967 N SER A 66 0.996 -4.657 -9.124 1.00 0.34 N ATOM 968 CA SER A 66 1.150 -6.089 -8.917 1.00 0.42 C ATOM 969 C SER A 66 1.984 -6.319 -7.665 1.00 0.44 C ATOM 970 O SER A 66 3.147 -6.708 -7.760 1.00 0.61 O ATOM 971 CB SER A 66 1.788 -6.721 -10.157 1.00 0.58 C ATOM 972 OG SER A 66 1.004 -6.431 -11.298 1.00 1.55 O ATOM 0 H SER A 66 1.883 -4.156 -9.182 1.00 0.34 H new ATOM 0 HA SER A 66 0.180 -6.564 -8.771 1.00 0.42 H new ATOM 0 HB2 SER A 66 2.800 -6.338 -10.292 1.00 0.58 H new ATOM 0 HB3 SER A 66 1.870 -7.800 -10.025 1.00 0.58 H new ATOM 0 HG SER A 66 1.416 -6.836 -12.090 1.00 1.55 H new ATOM 978 N LEU A 67 1.396 -6.052 -6.494 1.00 0.32 N ATOM 979 CA LEU A 67 2.094 -6.253 -5.236 1.00 0.33 C ATOM 980 C LEU A 67 2.042 -7.697 -4.752 1.00 0.33 C ATOM 981 O LEU A 67 1.434 -8.562 -5.384 1.00 0.37 O ATOM 982 CB LEU A 67 1.687 -5.227 -4.162 1.00 0.32 C ATOM 983 CG LEU A 67 0.218 -5.214 -3.726 1.00 0.68 C ATOM 984 CD1 LEU A 67 -0.379 -6.595 -3.480 1.00 2.07 C ATOM 985 CD2 LEU A 67 0.055 -4.356 -2.467 1.00 1.95 C ATOM 0 H LEU A 67 0.444 -5.699 -6.399 1.00 0.32 H new ATOM 0 HA LEU A 67 3.148 -6.060 -5.438 1.00 0.33 H new ATOM 0 HB2 LEU A 67 2.300 -5.402 -3.278 1.00 0.32 H new ATOM 0 HB3 LEU A 67 1.938 -4.233 -4.532 1.00 0.32 H new ATOM 0 HG LEU A 67 -0.335 -4.789 -4.564 1.00 0.68 H new ATOM 0 HD11 LEU A 67 -1.421 -6.492 -3.175 1.00 2.07 H new ATOM 0 HD12 LEU A 67 -0.325 -7.183 -4.396 1.00 2.07 H new ATOM 0 HD13 LEU A 67 0.181 -7.099 -2.692 1.00 2.07 H new ATOM 0 HD21 LEU A 67 -0.992 -4.351 -2.163 1.00 1.95 H new ATOM 0 HD22 LEU A 67 0.665 -4.769 -1.663 1.00 1.95 H new ATOM 0 HD23 LEU A 67 0.376 -3.336 -2.678 1.00 1.95 H new ATOM 997 N ARG A 68 2.668 -7.943 -3.603 1.00 0.34 N ATOM 998 CA ARG A 68 2.591 -9.192 -2.881 1.00 0.37 C ATOM 999 C ARG A 68 2.882 -8.887 -1.415 1.00 0.31 C ATOM 1000 O ARG A 68 3.665 -7.979 -1.124 1.00 0.32 O ATOM 1001 CB ARG A 68 3.578 -10.179 -3.509 1.00 0.47 C ATOM 1002 CG ARG A 68 3.687 -11.508 -2.758 1.00 0.57 C ATOM 1003 CD ARG A 68 4.215 -12.564 -3.737 1.00 1.34 C ATOM 1004 NE ARG A 68 4.731 -13.756 -3.047 1.00 2.24 N ATOM 1005 CZ ARG A 68 5.396 -14.746 -3.666 1.00 3.21 C ATOM 1006 NH1 ARG A 68 5.491 -14.745 -5.001 1.00 3.60 N ATOM 1007 NH2 ARG A 68 5.971 -15.720 -2.952 1.00 4.32 N ATOM 0 H ARG A 68 3.259 -7.251 -3.142 1.00 0.34 H new ATOM 0 HA ARG A 68 1.607 -9.657 -2.937 1.00 0.37 H new ATOM 0 HB2 ARG A 68 3.274 -10.377 -4.537 1.00 0.47 H new ATOM 0 HB3 ARG A 68 4.563 -9.715 -3.552 1.00 0.47 H new ATOM 0 HG2 ARG A 68 4.358 -11.410 -1.905 1.00 0.57 H new ATOM 0 HG3 ARG A 68 2.714 -11.805 -2.366 1.00 0.57 H new ATOM 0 HD2 ARG A 68 3.415 -12.858 -4.417 1.00 1.34 H new ATOM 0 HD3 ARG A 68 5.007 -12.128 -4.346 1.00 1.34 H new ATOM 0 HE ARG A 68 4.575 -13.836 -2.042 1.00 2.24 H new ATOM 0 HH11 ARG A 68 5.060 -13.996 -5.542 1.00 3.60 H new ATOM 0 HH12 ARG A 68 5.994 -15.494 -5.477 1.00 3.60 H new ATOM 0 HH21 ARG A 68 5.905 -15.713 -1.934 1.00 4.32 H new ATOM 0 HH22 ARG A 68 6.475 -16.470 -3.425 1.00 4.32 H new ATOM 1021 N ASP A 69 2.213 -9.616 -0.517 1.00 0.35 N ATOM 1022 CA ASP A 69 2.388 -9.509 0.924 1.00 0.41 C ATOM 1023 C ASP A 69 3.864 -9.643 1.298 1.00 0.42 C ATOM 1024 O ASP A 69 4.533 -10.571 0.834 1.00 0.61 O ATOM 1025 CB ASP A 69 1.533 -10.575 1.619 1.00 0.62 C ATOM 1026 CG ASP A 69 1.678 -10.475 3.130 1.00 1.62 C ATOM 1027 OD1 ASP A 69 2.698 -10.997 3.630 1.00 2.31 O ATOM 1028 OD2 ASP A 69 0.781 -9.861 3.748 1.00 2.87 O ATOM 0 H ASP A 69 1.518 -10.313 -0.785 1.00 0.35 H new ATOM 0 HA ASP A 69 2.058 -8.526 1.259 1.00 0.41 H new ATOM 0 HB2 ASP A 69 0.487 -10.449 1.339 1.00 0.62 H new ATOM 0 HB3 ASP A 69 1.836 -11.567 1.284 1.00 0.62 H new ATOM 1033 N GLU A 70 4.359 -8.708 2.114 1.00 0.42 N ATOM 1034 CA GLU A 70 5.668 -8.769 2.740 1.00 0.50 C ATOM 1035 C GLU A 70 5.508 -8.808 4.256 1.00 0.58 C ATOM 1036 O GLU A 70 6.021 -7.956 4.982 1.00 0.63 O ATOM 1037 CB GLU A 70 6.564 -7.615 2.266 1.00 0.58 C ATOM 1038 CG GLU A 70 7.534 -8.122 1.198 1.00 0.82 C ATOM 1039 CD GLU A 70 8.672 -7.146 0.932 1.00 1.01 C ATOM 1040 OE1 GLU A 70 8.524 -5.965 1.313 1.00 1.72 O ATOM 1041 OE2 GLU A 70 9.668 -7.620 0.340 1.00 1.93 O ATOM 0 H GLU A 70 3.839 -7.866 2.360 1.00 0.42 H new ATOM 0 HA GLU A 70 6.173 -9.686 2.436 1.00 0.50 H new ATOM 0 HB2 GLU A 70 5.952 -6.809 1.862 1.00 0.58 H new ATOM 0 HB3 GLU A 70 7.119 -7.203 3.109 1.00 0.58 H new ATOM 0 HG2 GLU A 70 7.948 -9.080 1.513 1.00 0.82 H new ATOM 0 HG3 GLU A 70 6.988 -8.300 0.271 1.00 0.82 H new