USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=11 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 Single : A 6 TYR OH : rot 180:sc= 0.563 USER MOD Single : A 7 SER OG : rot 75:sc= 1.07 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 77:sc= 1.27 USER MOD Single : A 13 MET CE :methyl 174:sc= -1.23 (180deg=-1.48) USER MOD Single : A 18 CYS SG : rot 132:sc= 0.867 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=0.19) USER MOD Single : A 28 GLN : amide:sc= 0.146 X(o=0.15,f=-0.09) USER MOD Single : A 33 ASN : amide:sc= 0.21 K(o=0.21,f=-1) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 164:sc= -0.024 (180deg=-0.216) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.177 F(o=-0.77,f=-0.18) USER MOD Single : A 55 GLN : amide:sc= -0.475 K(o=-0.48,f=-8.3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc=-0.00216 X(o=-0.0022,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot -57:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.646 -3.123 11.641 1.00 0.63 N ATOM 34 CA ARG A 5 3.270 -2.653 10.414 1.00 0.60 C ATOM 35 C ARG A 5 3.011 -3.704 9.355 1.00 0.43 C ATOM 36 O ARG A 5 3.292 -4.875 9.584 1.00 0.54 O ATOM 37 CB ARG A 5 4.782 -2.488 10.624 1.00 0.95 C ATOM 38 CG ARG A 5 5.507 -2.025 9.348 1.00 1.00 C ATOM 39 CD ARG A 5 5.991 -3.137 8.389 1.00 0.86 C ATOM 40 NE ARG A 5 6.975 -4.051 8.993 1.00 1.22 N ATOM 41 CZ ARG A 5 8.256 -3.774 9.282 1.00 1.18 C ATOM 42 NH1 ARG A 5 8.763 -2.564 9.028 1.00 2.35 N ATOM 43 NH2 ARG A 5 9.027 -4.717 9.816 1.00 1.75 N ATOM 0 HA ARG A 5 2.862 -1.687 10.116 1.00 0.60 H new ATOM 0 HB2 ARG A 5 4.958 -1.765 11.421 1.00 0.95 H new ATOM 0 HB3 ARG A 5 5.205 -3.436 10.955 1.00 0.95 H new ATOM 0 HG2 ARG A 5 4.838 -1.365 8.796 1.00 1.00 H new ATOM 0 HG3 ARG A 5 6.371 -1.429 9.643 1.00 1.00 H new ATOM 0 HD2 ARG A 5 5.130 -3.715 8.052 1.00 0.86 H new ATOM 0 HD3 ARG A 5 6.431 -2.676 7.505 1.00 0.86 H new ATOM 0 HE ARG A 5 6.649 -4.992 9.215 1.00 1.22 H new ATOM 0 HH11 ARG A 5 8.175 -1.842 8.611 1.00 2.35 H new ATOM 0 HH12 ARG A 5 9.738 -2.362 9.251 1.00 2.35 H new ATOM 0 HH21 ARG A 5 8.644 -5.644 10.003 1.00 1.75 H new ATOM 0 HH22 ARG A 5 10.002 -4.514 10.038 1.00 1.75 H new ATOM 57 N TYR A 6 2.503 -3.311 8.192 1.00 0.49 N ATOM 58 CA TYR A 6 2.154 -4.247 7.143 1.00 0.38 C ATOM 59 C TYR A 6 2.763 -3.798 5.823 1.00 0.57 C ATOM 60 O TYR A 6 2.300 -2.818 5.253 1.00 1.38 O ATOM 61 CB TYR A 6 0.636 -4.282 7.034 1.00 0.45 C ATOM 62 CG TYR A 6 -0.147 -4.485 8.309 1.00 0.63 C ATOM 63 CD1 TYR A 6 0.193 -5.550 9.158 1.00 1.76 C ATOM 64 CD2 TYR A 6 -1.417 -3.896 8.407 1.00 1.94 C ATOM 65 CE1 TYR A 6 -0.758 -6.066 10.052 1.00 1.92 C ATOM 66 CE2 TYR A 6 -2.394 -4.472 9.234 1.00 1.82 C ATOM 67 CZ TYR A 6 -2.059 -5.536 10.087 1.00 0.76 C ATOM 68 OH TYR A 6 -3.057 -6.336 10.570 1.00 0.88 O ATOM 0 H TYR A 6 2.324 -2.335 7.955 1.00 0.49 H new ATOM 0 HA TYR A 6 2.539 -5.240 7.375 1.00 0.38 H new ATOM 0 HB2 TYR A 6 0.309 -3.345 6.583 1.00 0.45 H new ATOM 0 HB3 TYR A 6 0.366 -5.080 6.342 1.00 0.45 H new ATOM 0 HD1 TYR A 6 1.186 -5.972 9.123 1.00 1.76 H new ATOM 0 HD2 TYR A 6 -1.642 -3.001 7.847 1.00 1.94 H new ATOM 0 HE1 TYR A 6 -0.489 -6.874 10.716 1.00 1.92 H new ATOM 0 HE2 TYR A 6 -3.406 -4.096 9.214 1.00 1.82 H new ATOM 0 HH TYR A 6 -3.908 -5.851 10.541 1.00 0.88 H new ATOM 78 N SER A 7 3.778 -4.497 5.321 1.00 0.34 N ATOM 79 CA SER A 7 4.472 -4.146 4.092 1.00 0.25 C ATOM 80 C SER A 7 3.972 -4.954 2.896 1.00 0.18 C ATOM 81 O SER A 7 3.507 -6.084 3.047 1.00 0.21 O ATOM 82 CB SER A 7 5.976 -4.299 4.338 1.00 0.32 C ATOM 83 OG SER A 7 6.263 -5.163 5.432 1.00 1.96 O ATOM 0 H SER A 7 4.145 -5.337 5.767 1.00 0.34 H new ATOM 0 HA SER A 7 4.261 -3.110 3.827 1.00 0.25 H new ATOM 0 HB2 SER A 7 6.451 -4.688 3.437 1.00 0.32 H new ATOM 0 HB3 SER A 7 6.411 -3.318 4.529 1.00 0.32 H new ATOM 0 HG SER A 7 6.110 -6.093 5.163 1.00 1.96 H new ATOM 89 N TRP A 8 4.086 -4.354 1.706 1.00 0.17 N ATOM 90 CA TRP A 8 3.835 -5.000 0.428 1.00 0.21 C ATOM 91 C TRP A 8 4.975 -4.668 -0.523 1.00 0.21 C ATOM 92 O TRP A 8 5.387 -3.508 -0.602 1.00 0.29 O ATOM 93 CB TRP A 8 2.475 -4.587 -0.150 1.00 0.27 C ATOM 94 CG TRP A 8 1.333 -5.090 0.669 1.00 0.22 C ATOM 95 CD1 TRP A 8 0.997 -6.391 0.740 1.00 0.25 C ATOM 96 CD2 TRP A 8 0.539 -4.468 1.712 1.00 0.31 C ATOM 97 NE1 TRP A 8 0.283 -6.621 1.903 1.00 0.28 N ATOM 98 CE2 TRP A 8 0.243 -5.464 2.665 1.00 0.37 C ATOM 99 CE3 TRP A 8 0.148 -3.190 2.133 1.00 0.29 C ATOM 100 CZ2 TRP A 8 -0.033 -5.054 3.989 1.00 0.45 C ATOM 101 CZ3 TRP A 8 -0.925 -3.111 3.057 1.00 0.35 C ATOM 102 CH2 TRP A 8 -0.855 -3.936 4.151 1.00 0.35 C ATOM 0 H TRP A 8 4.364 -3.377 1.611 1.00 0.17 H new ATOM 0 HA TRP A 8 3.794 -6.080 0.570 1.00 0.21 H new ATOM 0 HB2 TRP A 8 2.424 -3.500 -0.211 1.00 0.27 H new ATOM 0 HB3 TRP A 8 2.385 -4.968 -1.167 1.00 0.27 H new ATOM 0 HD1 TRP A 8 1.246 -7.140 0.003 1.00 0.25 H new ATOM 0 HE1 TRP A 8 -0.149 -7.508 2.161 1.00 0.28 H new ATOM 0 HE3 TRP A 8 0.643 -2.302 1.769 1.00 0.29 H new ATOM 0 HZ2 TRP A 8 0.374 -5.582 4.839 1.00 0.45 H new ATOM 0 HZ3 TRP A 8 -1.755 -2.436 2.907 1.00 0.35 H new ATOM 0 HH2 TRP A 8 -1.393 -3.737 5.066 1.00 0.35 H new ATOM 113 N LYS A 9 5.454 -5.697 -1.230 1.00 0.24 N ATOM 114 CA LYS A 9 6.490 -5.605 -2.252 1.00 0.33 C ATOM 115 C LYS A 9 5.774 -5.678 -3.585 1.00 0.54 C ATOM 116 O LYS A 9 4.875 -6.506 -3.732 1.00 0.66 O ATOM 117 CB LYS A 9 7.522 -6.742 -2.121 1.00 0.42 C ATOM 118 CG LYS A 9 6.915 -8.158 -2.114 1.00 0.82 C ATOM 119 CD LYS A 9 7.927 -9.234 -1.693 1.00 0.77 C ATOM 120 CE LYS A 9 8.719 -9.824 -2.866 1.00 1.17 C ATOM 121 NZ LYS A 9 9.629 -10.891 -2.403 1.00 1.73 N ATOM 0 H LYS A 9 5.115 -6.650 -1.098 1.00 0.24 H new ATOM 0 HA LYS A 9 7.052 -4.676 -2.149 1.00 0.33 H new ATOM 0 HB2 LYS A 9 8.231 -6.669 -2.945 1.00 0.42 H new ATOM 0 HB3 LYS A 9 8.087 -6.598 -1.200 1.00 0.42 H new ATOM 0 HG2 LYS A 9 6.063 -8.180 -1.434 1.00 0.82 H new ATOM 0 HG3 LYS A 9 6.535 -8.391 -3.109 1.00 0.82 H new ATOM 0 HD2 LYS A 9 8.624 -8.804 -0.974 1.00 0.77 H new ATOM 0 HD3 LYS A 9 7.398 -10.038 -1.181 1.00 0.77 H new ATOM 0 HE2 LYS A 9 8.031 -10.225 -3.610 1.00 1.17 H new ATOM 0 HE3 LYS A 9 9.293 -9.037 -3.355 1.00 1.17 H new ATOM 0 HZ1 LYS A 9 10.154 -11.275 -3.214 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 10.299 -10.500 -1.711 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 9.075 -11.651 -1.958 1.00 1.73 H new ATOM 135 N VAL A 10 6.146 -4.817 -4.527 1.00 0.79 N ATOM 136 CA VAL A 10 5.552 -4.733 -5.846 1.00 1.12 C ATOM 137 C VAL A 10 6.661 -4.518 -6.864 1.00 1.13 C ATOM 138 O VAL A 10 7.830 -4.523 -6.500 1.00 1.96 O ATOM 139 CB VAL A 10 4.512 -3.601 -5.842 1.00 1.33 C ATOM 140 CG1 VAL A 10 5.113 -2.197 -5.838 1.00 1.68 C ATOM 141 CG2 VAL A 10 3.543 -3.730 -7.015 1.00 2.44 C ATOM 0 H VAL A 10 6.894 -4.139 -4.383 1.00 0.79 H new ATOM 0 HA VAL A 10 5.033 -5.652 -6.119 1.00 1.12 H new ATOM 0 HB VAL A 10 3.978 -3.722 -4.900 1.00 1.33 H new ATOM 0 HG11 VAL A 10 4.312 -1.458 -5.835 1.00 1.68 H new ATOM 0 HG12 VAL A 10 5.729 -2.067 -4.948 1.00 1.68 H new ATOM 0 HG13 VAL A 10 5.728 -2.062 -6.728 1.00 1.68 H new ATOM 0 HG21 VAL A 10 2.821 -2.914 -6.982 1.00 2.44 H new ATOM 0 HG22 VAL A 10 4.098 -3.686 -7.952 1.00 2.44 H new ATOM 0 HG23 VAL A 10 3.017 -4.682 -6.949 1.00 2.44 H new ATOM 151 N SER A 11 6.300 -4.305 -8.129 1.00 0.65 N ATOM 152 CA SER A 11 7.103 -3.471 -9.003 1.00 0.61 C ATOM 153 C SER A 11 6.116 -2.630 -9.815 1.00 0.54 C ATOM 154 O SER A 11 5.099 -3.171 -10.255 1.00 1.24 O ATOM 155 CB SER A 11 8.045 -4.334 -9.849 1.00 1.40 C ATOM 156 OG SER A 11 9.094 -3.534 -10.344 1.00 2.88 O ATOM 0 H SER A 11 5.464 -4.697 -8.562 1.00 0.65 H new ATOM 0 HA SER A 11 7.767 -2.802 -8.457 1.00 0.61 H new ATOM 0 HB2 SER A 11 8.447 -5.149 -9.248 1.00 1.40 H new ATOM 0 HB3 SER A 11 7.497 -4.787 -10.675 1.00 1.40 H new ATOM 0 HG SER A 11 9.743 -3.366 -9.629 1.00 2.88 H new ATOM 162 N GLY A 12 6.346 -1.313 -9.930 1.00 0.67 N ATOM 163 CA GLY A 12 5.435 -0.400 -10.621 1.00 0.56 C ATOM 164 C GLY A 12 5.440 1.015 -10.029 1.00 0.68 C ATOM 165 O GLY A 12 5.408 2.003 -10.755 1.00 1.44 O ATOM 0 H GLY A 12 7.172 -0.855 -9.544 1.00 0.67 H new ATOM 0 HA2 GLY A 12 5.711 -0.348 -11.674 1.00 0.56 H new ATOM 0 HA3 GLY A 12 4.423 -0.803 -10.576 1.00 0.56 H new ATOM 169 N MET A 13 5.436 1.130 -8.700 1.00 0.38 N ATOM 170 CA MET A 13 5.384 2.417 -8.008 1.00 0.42 C ATOM 171 C MET A 13 6.716 3.178 -8.140 1.00 0.51 C ATOM 172 O MET A 13 7.624 2.984 -7.334 1.00 0.80 O ATOM 173 CB MET A 13 4.916 2.224 -6.553 1.00 0.58 C ATOM 174 CG MET A 13 5.728 1.232 -5.728 1.00 2.24 C ATOM 175 SD MET A 13 4.978 0.708 -4.163 1.00 2.62 S ATOM 176 CE MET A 13 5.569 2.017 -3.089 1.00 2.58 C ATOM 0 H MET A 13 5.469 0.328 -8.071 1.00 0.38 H new ATOM 0 HA MET A 13 4.641 3.054 -8.488 1.00 0.42 H new ATOM 0 HB2 MET A 13 4.939 3.191 -6.051 1.00 0.58 H new ATOM 0 HB3 MET A 13 3.877 1.895 -6.565 1.00 0.58 H new ATOM 0 HG2 MET A 13 5.911 0.346 -6.336 1.00 2.24 H new ATOM 0 HG3 MET A 13 6.700 1.677 -5.513 1.00 2.24 H new ATOM 0 HE1 MET A 13 5.114 1.912 -2.104 1.00 2.58 H new ATOM 0 HE2 MET A 13 6.653 1.951 -2.997 1.00 2.58 H new ATOM 0 HE3 MET A 13 5.299 2.985 -3.512 1.00 2.58 H new ATOM 186 N ASP A 14 6.832 4.042 -9.157 1.00 0.40 N ATOM 187 CA ASP A 14 8.090 4.666 -9.581 1.00 0.56 C ATOM 188 C ASP A 14 8.159 6.199 -9.448 1.00 0.54 C ATOM 189 O ASP A 14 9.237 6.757 -9.656 1.00 0.63 O ATOM 190 CB ASP A 14 8.373 4.248 -11.032 1.00 0.77 C ATOM 191 CG ASP A 14 7.299 4.727 -12.005 1.00 0.86 C ATOM 192 OD1 ASP A 14 6.973 5.929 -11.961 1.00 1.53 O ATOM 193 OD2 ASP A 14 6.789 3.880 -12.765 1.00 1.17 O ATOM 0 H ASP A 14 6.033 4.333 -9.721 1.00 0.40 H new ATOM 0 HA ASP A 14 8.852 4.305 -8.891 1.00 0.56 H new ATOM 0 HB2 ASP A 14 9.339 4.648 -11.339 1.00 0.77 H new ATOM 0 HB3 ASP A 14 8.446 3.162 -11.085 1.00 0.77 H new ATOM 198 N CYS A 15 7.065 6.885 -9.091 1.00 0.49 N ATOM 199 CA CYS A 15 6.955 8.340 -9.160 1.00 0.45 C ATOM 200 C CYS A 15 6.288 8.852 -7.888 1.00 0.37 C ATOM 201 O CYS A 15 5.536 8.115 -7.256 1.00 0.40 O ATOM 202 CB CYS A 15 6.099 8.780 -10.364 1.00 0.50 C ATOM 203 SG CYS A 15 6.306 7.754 -11.848 1.00 0.66 S ATOM 0 H CYS A 15 6.220 6.433 -8.741 1.00 0.49 H new ATOM 0 HA CYS A 15 7.959 8.750 -9.270 1.00 0.45 H new ATOM 0 HB2 CYS A 15 5.049 8.767 -10.072 1.00 0.50 H new ATOM 0 HB3 CYS A 15 6.347 9.812 -10.613 1.00 0.50 H new ATOM 208 N ALA A 16 6.480 10.132 -7.562 1.00 0.34 N ATOM 209 CA ALA A 16 5.817 10.761 -6.427 1.00 0.35 C ATOM 210 C ALA A 16 4.301 10.804 -6.631 1.00 0.24 C ATOM 211 O ALA A 16 3.537 10.529 -5.708 1.00 0.21 O ATOM 212 CB ALA A 16 6.381 12.168 -6.209 1.00 0.46 C ATOM 0 H ALA A 16 7.099 10.757 -8.079 1.00 0.34 H new ATOM 0 HA ALA A 16 6.011 10.164 -5.536 1.00 0.35 H new ATOM 0 HB1 ALA A 16 5.881 12.633 -5.359 1.00 0.46 H new ATOM 0 HB2 ALA A 16 7.451 12.104 -6.010 1.00 0.46 H new ATOM 0 HB3 ALA A 16 6.213 12.770 -7.102 1.00 0.46 H new ATOM 218 N ALA A 17 3.849 11.152 -7.838 1.00 0.25 N ATOM 219 CA ALA A 17 2.424 11.191 -8.148 1.00 0.22 C ATOM 220 C ALA A 17 1.805 9.801 -7.969 1.00 0.21 C ATOM 221 O ALA A 17 0.773 9.657 -7.312 1.00 0.22 O ATOM 222 CB ALA A 17 2.216 11.721 -9.569 1.00 0.26 C ATOM 0 H ALA A 17 4.454 11.411 -8.617 1.00 0.25 H new ATOM 0 HA ALA A 17 1.921 11.868 -7.458 1.00 0.22 H new ATOM 0 HB1 ALA A 17 1.150 11.748 -9.795 1.00 0.26 H new ATOM 0 HB2 ALA A 17 2.629 12.727 -9.646 1.00 0.26 H new ATOM 0 HB3 ALA A 17 2.721 11.066 -10.279 1.00 0.26 H new ATOM 228 N CYS A 18 2.458 8.785 -8.541 1.00 0.25 N ATOM 229 CA CYS A 18 2.108 7.385 -8.358 1.00 0.28 C ATOM 230 C CYS A 18 2.021 7.086 -6.862 1.00 0.25 C ATOM 231 O CYS A 18 0.976 6.657 -6.379 1.00 0.26 O ATOM 232 CB CYS A 18 3.141 6.487 -9.061 1.00 0.37 C ATOM 233 SG CYS A 18 3.209 6.896 -10.833 1.00 0.51 S ATOM 0 H CYS A 18 3.260 8.922 -9.156 1.00 0.25 H new ATOM 0 HA CYS A 18 1.137 7.177 -8.808 1.00 0.28 H new ATOM 0 HB2 CYS A 18 4.123 6.624 -8.609 1.00 0.37 H new ATOM 0 HB3 CYS A 18 2.874 5.438 -8.930 1.00 0.37 H new ATOM 0 HG CYS A 18 4.449 7.033 -11.200 1.00 0.51 H new ATOM 238 N ALA A 19 3.103 7.363 -6.126 1.00 0.24 N ATOM 239 CA ALA A 19 3.183 7.155 -4.694 1.00 0.26 C ATOM 240 C ALA A 19 1.966 7.747 -4.003 1.00 0.24 C ATOM 241 O ALA A 19 1.330 7.089 -3.186 1.00 0.32 O ATOM 242 CB ALA A 19 4.458 7.777 -4.123 1.00 0.29 C ATOM 0 H ALA A 19 3.960 7.745 -6.527 1.00 0.24 H new ATOM 0 HA ALA A 19 3.209 6.081 -4.511 1.00 0.26 H new ATOM 0 HB1 ALA A 19 4.495 7.608 -3.047 1.00 0.29 H new ATOM 0 HB2 ALA A 19 5.328 7.319 -4.593 1.00 0.29 H new ATOM 0 HB3 ALA A 19 4.461 8.849 -4.322 1.00 0.29 H new ATOM 248 N ARG A 20 1.630 8.995 -4.334 1.00 0.21 N ATOM 249 CA ARG A 20 0.522 9.640 -3.671 1.00 0.25 C ATOM 250 C ARG A 20 -0.811 8.995 -4.043 1.00 0.24 C ATOM 251 O ARG A 20 -1.682 8.808 -3.195 1.00 0.31 O ATOM 252 CB ARG A 20 0.510 11.157 -3.874 1.00 0.34 C ATOM 253 CG ARG A 20 0.283 11.722 -2.474 1.00 0.90 C ATOM 254 CD ARG A 20 0.063 13.222 -2.400 1.00 0.88 C ATOM 255 NE ARG A 20 -0.148 13.565 -0.987 1.00 1.78 N ATOM 256 CZ ARG A 20 -0.359 14.808 -0.538 1.00 2.43 C ATOM 257 NH1 ARG A 20 -0.470 15.815 -1.414 1.00 2.66 N ATOM 258 NH2 ARG A 20 -0.453 15.039 0.774 1.00 3.36 N ATOM 0 H ARG A 20 2.103 9.559 -5.041 1.00 0.21 H new ATOM 0 HA ARG A 20 0.667 9.484 -2.602 1.00 0.25 H new ATOM 0 HB2 ARG A 20 1.450 11.509 -4.298 1.00 0.34 H new ATOM 0 HB3 ARG A 20 -0.282 11.461 -4.559 1.00 0.34 H new ATOM 0 HG2 ARG A 20 -0.582 11.224 -2.037 1.00 0.90 H new ATOM 0 HG3 ARG A 20 1.144 11.468 -1.855 1.00 0.90 H new ATOM 0 HD2 ARG A 20 0.924 13.757 -2.800 1.00 0.88 H new ATOM 0 HD3 ARG A 20 -0.800 13.514 -2.999 1.00 0.88 H new ATOM 0 HE ARG A 20 -0.133 12.807 -0.304 1.00 1.78 H new ATOM 0 HH11 ARG A 20 -0.394 15.631 -2.414 1.00 2.66 H new ATOM 0 HH12 ARG A 20 -0.631 16.765 -1.081 1.00 2.66 H new ATOM 0 HH21 ARG A 20 -0.364 14.268 1.435 1.00 3.36 H new ATOM 0 HH22 ARG A 20 -0.614 15.987 1.115 1.00 3.36 H new ATOM 272 N LYS A 21 -0.980 8.615 -5.309 1.00 0.21 N ATOM 273 CA LYS A 21 -2.154 7.880 -5.710 1.00 0.28 C ATOM 274 C LYS A 21 -2.244 6.576 -4.917 1.00 0.31 C ATOM 275 O LYS A 21 -3.334 6.185 -4.509 1.00 0.38 O ATOM 276 CB LYS A 21 -2.120 7.657 -7.223 1.00 0.35 C ATOM 277 CG LYS A 21 -2.640 8.898 -7.958 1.00 1.08 C ATOM 278 CD LYS A 21 -2.794 8.599 -9.454 1.00 1.68 C ATOM 279 CE LYS A 21 -3.543 9.742 -10.152 1.00 2.39 C ATOM 280 NZ LYS A 21 -3.799 9.447 -11.578 1.00 2.96 N ATOM 0 H LYS A 21 -0.318 8.807 -6.061 1.00 0.21 H new ATOM 0 HA LYS A 21 -3.057 8.448 -5.487 1.00 0.28 H new ATOM 0 HB2 LYS A 21 -1.101 7.438 -7.542 1.00 0.35 H new ATOM 0 HB3 LYS A 21 -2.728 6.791 -7.483 1.00 0.35 H new ATOM 0 HG2 LYS A 21 -3.599 9.203 -7.540 1.00 1.08 H new ATOM 0 HG3 LYS A 21 -1.951 9.730 -7.815 1.00 1.08 H new ATOM 0 HD2 LYS A 21 -1.812 8.468 -9.908 1.00 1.68 H new ATOM 0 HD3 LYS A 21 -3.336 7.663 -9.591 1.00 1.68 H new ATOM 0 HE2 LYS A 21 -4.490 9.919 -9.643 1.00 2.39 H new ATOM 0 HE3 LYS A 21 -2.961 10.660 -10.070 1.00 2.39 H new ATOM 0 HZ1 LYS A 21 -4.307 10.244 -12.012 1.00 2.96 H new ATOM 0 HZ2 LYS A 21 -2.894 9.303 -12.071 1.00 2.96 H new ATOM 0 HZ3 LYS A 21 -4.376 8.585 -11.656 1.00 2.96 H new ATOM 294 N VAL A 22 -1.111 5.923 -4.653 1.00 0.29 N ATOM 295 CA VAL A 22 -1.082 4.720 -3.842 1.00 0.33 C ATOM 296 C VAL A 22 -1.489 5.062 -2.404 1.00 0.28 C ATOM 297 O VAL A 22 -2.348 4.384 -1.838 1.00 0.35 O ATOM 298 CB VAL A 22 0.302 4.059 -3.904 1.00 0.41 C ATOM 299 CG1 VAL A 22 0.294 2.698 -3.215 1.00 0.35 C ATOM 300 CG2 VAL A 22 0.824 3.876 -5.335 1.00 0.78 C ATOM 0 H VAL A 22 -0.196 6.217 -4.996 1.00 0.29 H new ATOM 0 HA VAL A 22 -1.798 3.998 -4.235 1.00 0.33 H new ATOM 0 HB VAL A 22 0.971 4.745 -3.384 1.00 0.41 H new ATOM 0 HG11 VAL A 22 1.288 2.254 -3.275 1.00 0.35 H new ATOM 0 HG12 VAL A 22 0.014 2.821 -2.169 1.00 0.35 H new ATOM 0 HG13 VAL A 22 -0.426 2.045 -3.708 1.00 0.35 H new ATOM 0 HG21 VAL A 22 1.806 3.404 -5.306 1.00 0.78 H new ATOM 0 HG22 VAL A 22 0.134 3.246 -5.896 1.00 0.78 H new ATOM 0 HG23 VAL A 22 0.903 4.849 -5.821 1.00 0.78 H new ATOM 310 N GLU A 23 -0.892 6.104 -1.803 1.00 0.24 N ATOM 311 CA GLU A 23 -1.198 6.421 -0.410 1.00 0.30 C ATOM 312 C GLU A 23 -2.698 6.703 -0.275 1.00 0.23 C ATOM 313 O GLU A 23 -3.346 6.217 0.641 1.00 0.25 O ATOM 314 CB GLU A 23 -0.279 7.491 0.226 1.00 0.42 C ATOM 315 CG GLU A 23 -0.692 8.943 -0.052 1.00 0.55 C ATOM 316 CD GLU A 23 0.162 10.024 0.620 1.00 0.73 C ATOM 317 OE1 GLU A 23 1.148 9.638 1.279 1.00 1.45 O ATOM 318 OE2 GLU A 23 -0.188 11.225 0.471 1.00 2.03 O ATOM 0 H GLU A 23 -0.214 6.722 -2.249 1.00 0.24 H new ATOM 0 HA GLU A 23 -0.964 5.545 0.195 1.00 0.30 H new ATOM 0 HB2 GLU A 23 -0.256 7.335 1.305 1.00 0.42 H new ATOM 0 HB3 GLU A 23 0.737 7.341 -0.140 1.00 0.42 H new ATOM 0 HG2 GLU A 23 -0.668 9.107 -1.129 1.00 0.55 H new ATOM 0 HG3 GLU A 23 -1.726 9.074 0.268 1.00 0.55 H new ATOM 325 N ASN A 24 -3.268 7.430 -1.234 1.00 0.25 N ATOM 326 CA ASN A 24 -4.698 7.671 -1.362 1.00 0.43 C ATOM 327 C ASN A 24 -5.476 6.362 -1.513 1.00 0.46 C ATOM 328 O ASN A 24 -6.493 6.163 -0.844 1.00 0.56 O ATOM 329 CB ASN A 24 -4.959 8.582 -2.568 1.00 0.61 C ATOM 330 CG ASN A 24 -4.963 10.054 -2.175 1.00 1.12 C ATOM 331 OD1 ASN A 24 -3.947 10.738 -2.220 1.00 2.65 O ATOM 332 ND2 ASN A 24 -6.127 10.563 -1.787 1.00 1.69 N ATOM 0 H ASN A 24 -2.724 7.883 -1.969 1.00 0.25 H new ATOM 0 HA ASN A 24 -5.045 8.159 -0.451 1.00 0.43 H new ATOM 0 HB2 ASN A 24 -4.194 8.410 -3.326 1.00 0.61 H new ATOM 0 HB3 ASN A 24 -5.917 8.323 -3.018 1.00 0.61 H new ATOM 0 HD21 ASN A 24 -6.190 11.545 -1.518 1.00 1.69 H new ATOM 0 HD22 ASN A 24 -6.958 9.972 -1.758 1.00 1.69 H new ATOM 339 N ALA A 25 -5.030 5.493 -2.424 1.00 0.50 N ATOM 340 CA ALA A 25 -5.670 4.218 -2.721 1.00 0.66 C ATOM 341 C ALA A 25 -5.840 3.379 -1.459 1.00 0.52 C ATOM 342 O ALA A 25 -6.879 2.747 -1.277 1.00 0.55 O ATOM 343 CB ALA A 25 -4.886 3.455 -3.787 1.00 0.85 C ATOM 0 H ALA A 25 -4.196 5.664 -2.985 1.00 0.50 H new ATOM 0 HA ALA A 25 -6.665 4.425 -3.116 1.00 0.66 H new ATOM 0 HB1 ALA A 25 -5.381 2.506 -3.994 1.00 0.85 H new ATOM 0 HB2 ALA A 25 -4.842 4.048 -4.701 1.00 0.85 H new ATOM 0 HB3 ALA A 25 -3.874 3.266 -3.429 1.00 0.85 H new ATOM 349 N VAL A 26 -4.833 3.376 -0.582 1.00 0.40 N ATOM 350 CA VAL A 26 -4.942 2.673 0.691 1.00 0.34 C ATOM 351 C VAL A 26 -5.710 3.512 1.720 1.00 0.22 C ATOM 352 O VAL A 26 -6.614 3.011 2.387 1.00 0.24 O ATOM 353 CB VAL A 26 -3.565 2.186 1.177 1.00 0.48 C ATOM 354 CG1 VAL A 26 -2.879 1.399 0.056 1.00 1.63 C ATOM 355 CG2 VAL A 26 -2.606 3.277 1.642 1.00 1.87 C ATOM 0 H VAL A 26 -3.942 3.849 -0.731 1.00 0.40 H new ATOM 0 HA VAL A 26 -5.536 1.770 0.547 1.00 0.34 H new ATOM 0 HB VAL A 26 -3.780 1.575 2.053 1.00 0.48 H new ATOM 0 HG11 VAL A 26 -1.904 1.053 0.398 1.00 1.63 H new ATOM 0 HG12 VAL A 26 -3.494 0.541 -0.215 1.00 1.63 H new ATOM 0 HG13 VAL A 26 -2.751 2.042 -0.814 1.00 1.63 H new ATOM 0 HG21 VAL A 26 -1.668 2.824 1.962 1.00 1.87 H new ATOM 0 HG22 VAL A 26 -2.414 3.967 0.820 1.00 1.87 H new ATOM 0 HG23 VAL A 26 -3.050 3.821 2.476 1.00 1.87 H new ATOM 365 N ARG A 27 -5.372 4.798 1.853 1.00 0.21 N ATOM 366 CA ARG A 27 -5.845 5.645 2.945 1.00 0.28 C ATOM 367 C ARG A 27 -7.369 5.723 2.977 1.00 0.32 C ATOM 368 O ARG A 27 -7.968 5.835 4.042 1.00 0.38 O ATOM 369 CB ARG A 27 -5.224 7.036 2.794 1.00 0.37 C ATOM 370 CG ARG A 27 -5.559 8.007 3.927 1.00 0.52 C ATOM 371 CD ARG A 27 -4.747 9.286 3.699 1.00 0.76 C ATOM 372 NE ARG A 27 -5.000 10.280 4.750 1.00 0.97 N ATOM 373 CZ ARG A 27 -4.502 11.526 4.742 1.00 1.49 C ATOM 374 NH1 ARG A 27 -3.697 11.914 3.746 1.00 2.05 N ATOM 375 NH2 ARG A 27 -4.814 12.378 5.725 1.00 1.68 N ATOM 0 H ARG A 27 -4.757 5.282 1.199 1.00 0.21 H new ATOM 0 HA ARG A 27 -5.536 5.208 3.894 1.00 0.28 H new ATOM 0 HB2 ARG A 27 -4.141 6.931 2.731 1.00 0.37 H new ATOM 0 HB3 ARG A 27 -5.558 7.469 1.851 1.00 0.37 H new ATOM 0 HG2 ARG A 27 -6.626 8.228 3.938 1.00 0.52 H new ATOM 0 HG3 ARG A 27 -5.315 7.566 4.893 1.00 0.52 H new ATOM 0 HD2 ARG A 27 -3.685 9.044 3.674 1.00 0.76 H new ATOM 0 HD3 ARG A 27 -5.000 9.710 2.727 1.00 0.76 H new ATOM 0 HE ARG A 27 -5.591 10.006 5.535 1.00 0.97 H new ATOM 0 HH11 ARG A 27 -3.464 11.263 2.996 1.00 2.05 H new ATOM 0 HH12 ARG A 27 -3.317 12.860 3.737 1.00 2.05 H new ATOM 0 HH21 ARG A 27 -5.431 12.081 6.481 1.00 1.68 H new ATOM 0 HH22 ARG A 27 -4.435 13.325 5.718 1.00 1.68 H new ATOM 389 N GLN A 28 -7.991 5.663 1.800 1.00 0.38 N ATOM 390 CA GLN A 28 -9.435 5.739 1.657 1.00 0.45 C ATOM 391 C GLN A 28 -10.184 4.594 2.351 1.00 0.37 C ATOM 392 O GLN A 28 -11.394 4.703 2.516 1.00 0.43 O ATOM 393 CB GLN A 28 -9.815 5.893 0.184 1.00 0.61 C ATOM 394 CG GLN A 28 -9.471 4.628 -0.592 1.00 0.68 C ATOM 395 CD GLN A 28 -9.567 4.863 -2.094 1.00 0.85 C ATOM 396 OE1 GLN A 28 -10.410 4.293 -2.778 1.00 0.92 O ATOM 397 NE2 GLN A 28 -8.704 5.730 -2.612 1.00 1.04 N ATOM 0 H GLN A 28 -7.497 5.559 0.914 1.00 0.38 H new ATOM 0 HA GLN A 28 -9.764 6.633 2.186 1.00 0.45 H new ATOM 0 HB2 GLN A 28 -10.882 6.101 0.098 1.00 0.61 H new ATOM 0 HB3 GLN A 28 -9.288 6.745 -0.246 1.00 0.61 H new ATOM 0 HG2 GLN A 28 -8.463 4.303 -0.335 1.00 0.68 H new ATOM 0 HG3 GLN A 28 -10.148 3.825 -0.302 1.00 0.68 H new ATOM 0 HE21 GLN A 28 -8.016 6.185 -2.012 1.00 1.04 H new ATOM 0 HE22 GLN A 28 -8.729 5.940 -3.610 1.00 1.04 H new ATOM 406 N LEU A 29 -9.511 3.486 2.693 1.00 0.30 N ATOM 407 CA LEU A 29 -10.194 2.305 3.211 1.00 0.32 C ATOM 408 C LEU A 29 -10.880 2.577 4.556 1.00 0.32 C ATOM 409 O LEU A 29 -12.096 2.735 4.593 1.00 0.40 O ATOM 410 CB LEU A 29 -9.228 1.116 3.290 1.00 0.33 C ATOM 411 CG LEU A 29 -8.723 0.668 1.911 1.00 0.39 C ATOM 412 CD1 LEU A 29 -7.591 -0.336 2.109 1.00 0.46 C ATOM 413 CD2 LEU A 29 -9.822 0.030 1.051 1.00 0.47 C ATOM 0 H LEU A 29 -8.498 3.389 2.619 1.00 0.30 H new ATOM 0 HA LEU A 29 -10.989 2.047 2.511 1.00 0.32 H new ATOM 0 HB2 LEU A 29 -8.376 1.387 3.914 1.00 0.33 H new ATOM 0 HB3 LEU A 29 -9.728 0.279 3.778 1.00 0.33 H new ATOM 0 HG LEU A 29 -8.379 1.556 1.380 1.00 0.39 H new ATOM 0 HD11 LEU A 29 -7.221 -0.664 1.137 1.00 0.46 H new ATOM 0 HD12 LEU A 29 -6.781 0.135 2.666 1.00 0.46 H new ATOM 0 HD13 LEU A 29 -7.961 -1.197 2.666 1.00 0.46 H new ATOM 0 HD21 LEU A 29 -9.405 -0.266 0.089 1.00 0.47 H new ATOM 0 HD22 LEU A 29 -10.219 -0.848 1.560 1.00 0.47 H new ATOM 0 HD23 LEU A 29 -10.624 0.751 0.892 1.00 0.47 H new ATOM 425 N ALA A 30 -10.113 2.565 5.658 1.00 0.29 N ATOM 426 CA ALA A 30 -10.597 2.668 7.037 1.00 0.32 C ATOM 427 C ALA A 30 -9.502 2.288 8.045 1.00 0.30 C ATOM 428 O ALA A 30 -8.958 3.151 8.723 1.00 0.29 O ATOM 429 CB ALA A 30 -11.805 1.752 7.247 1.00 0.35 C ATOM 0 H ALA A 30 -9.098 2.480 5.606 1.00 0.29 H new ATOM 0 HA ALA A 30 -10.885 3.706 7.204 1.00 0.32 H new ATOM 0 HB1 ALA A 30 -12.153 1.839 8.276 1.00 0.35 H new ATOM 0 HB2 ALA A 30 -12.605 2.044 6.567 1.00 0.35 H new ATOM 0 HB3 ALA A 30 -11.518 0.720 7.048 1.00 0.35 H new ATOM 435 N GLY A 31 -9.209 0.984 8.154 1.00 0.35 N ATOM 436 CA GLY A 31 -8.285 0.379 9.120 1.00 0.38 C ATOM 437 C GLY A 31 -6.949 1.111 9.247 1.00 0.34 C ATOM 438 O GLY A 31 -6.340 1.127 10.315 1.00 0.39 O ATOM 0 H GLY A 31 -9.632 0.289 7.539 1.00 0.35 H new ATOM 0 HA2 GLY A 31 -8.766 0.350 10.098 1.00 0.38 H new ATOM 0 HA3 GLY A 31 -8.095 -0.654 8.828 1.00 0.38 H new ATOM 442 N VAL A 32 -6.455 1.628 8.119 1.00 0.31 N ATOM 443 CA VAL A 32 -5.173 2.282 8.010 1.00 0.29 C ATOM 444 C VAL A 32 -5.105 3.566 8.838 1.00 0.37 C ATOM 445 O VAL A 32 -5.912 4.472 8.649 1.00 0.47 O ATOM 446 CB VAL A 32 -4.784 2.430 6.533 1.00 0.33 C ATOM 447 CG1 VAL A 32 -5.913 2.522 5.517 1.00 0.32 C ATOM 448 CG2 VAL A 32 -3.797 3.564 6.267 1.00 0.40 C ATOM 0 H VAL A 32 -6.962 1.596 7.235 1.00 0.31 H new ATOM 0 HA VAL A 32 -4.405 1.653 8.460 1.00 0.29 H new ATOM 0 HB VAL A 32 -4.307 1.464 6.368 1.00 0.33 H new ATOM 0 HG11 VAL A 32 -5.494 2.623 4.516 1.00 0.32 H new ATOM 0 HG12 VAL A 32 -6.521 1.619 5.566 1.00 0.32 H new ATOM 0 HG13 VAL A 32 -6.534 3.390 5.740 1.00 0.32 H new ATOM 0 HG21 VAL A 32 -3.570 3.606 5.202 1.00 0.40 H new ATOM 0 HG22 VAL A 32 -4.237 4.510 6.582 1.00 0.40 H new ATOM 0 HG23 VAL A 32 -2.879 3.386 6.827 1.00 0.40 H new ATOM 458 N ASN A 33 -4.097 3.656 9.714 1.00 0.33 N ATOM 459 CA ASN A 33 -3.859 4.828 10.546 1.00 0.39 C ATOM 460 C ASN A 33 -2.843 5.707 9.828 1.00 0.32 C ATOM 461 O ASN A 33 -3.064 6.903 9.658 1.00 0.48 O ATOM 462 CB ASN A 33 -3.239 4.468 11.909 1.00 0.50 C ATOM 463 CG ASN A 33 -3.867 3.307 12.667 1.00 1.02 C ATOM 464 OD1 ASN A 33 -4.878 3.459 13.345 1.00 1.51 O ATOM 465 ND2 ASN A 33 -3.191 2.167 12.615 1.00 1.38 N ATOM 0 H ASN A 33 -3.421 2.907 9.862 1.00 0.33 H new ATOM 0 HA ASN A 33 -4.819 5.317 10.713 1.00 0.39 H new ATOM 0 HB2 ASN A 33 -2.185 4.240 11.752 1.00 0.50 H new ATOM 0 HB3 ASN A 33 -3.283 5.352 12.545 1.00 0.50 H new ATOM 0 HD21 ASN A 33 -3.506 1.362 13.156 1.00 1.38 H new ATOM 0 HD22 ASN A 33 -2.356 2.095 12.034 1.00 1.38 H new ATOM 472 N GLN A 34 -1.714 5.105 9.432 1.00 0.22 N ATOM 473 CA GLN A 34 -0.602 5.790 8.799 1.00 0.23 C ATOM 474 C GLN A 34 -0.265 5.021 7.526 1.00 0.26 C ATOM 475 O GLN A 34 -0.278 3.787 7.508 1.00 0.45 O ATOM 476 CB GLN A 34 0.592 5.861 9.767 1.00 0.29 C ATOM 477 CG GLN A 34 1.731 6.770 9.289 1.00 0.32 C ATOM 478 CD GLN A 34 1.521 8.213 9.726 1.00 0.62 C ATOM 479 OE1 GLN A 34 1.004 9.031 8.973 1.00 1.02 O ATOM 480 NE2 GLN A 34 1.918 8.535 10.955 1.00 2.09 N ATOM 0 H GLN A 34 -1.554 4.105 9.550 1.00 0.22 H new ATOM 0 HA GLN A 34 -0.857 6.819 8.544 1.00 0.23 H new ATOM 0 HB2 GLN A 34 0.240 6.216 10.736 1.00 0.29 H new ATOM 0 HB3 GLN A 34 0.983 4.855 9.919 1.00 0.29 H new ATOM 0 HG2 GLN A 34 2.679 6.404 9.684 1.00 0.32 H new ATOM 0 HG3 GLN A 34 1.801 6.725 8.202 1.00 0.32 H new ATOM 0 HE21 GLN A 34 2.344 7.829 11.555 1.00 2.09 H new ATOM 0 HE22 GLN A 34 1.796 9.488 11.297 1.00 2.09 H new ATOM 489 N VAL A 35 0.003 5.769 6.457 1.00 0.27 N ATOM 490 CA VAL A 35 0.459 5.280 5.182 1.00 0.37 C ATOM 491 C VAL A 35 1.960 5.520 5.097 1.00 0.26 C ATOM 492 O VAL A 35 2.437 6.561 5.547 1.00 0.46 O ATOM 493 CB VAL A 35 -0.274 6.052 4.076 1.00 0.79 C ATOM 494 CG1 VAL A 35 -1.761 5.710 4.104 1.00 1.21 C ATOM 495 CG2 VAL A 35 -0.108 7.583 4.117 1.00 2.56 C ATOM 0 H VAL A 35 -0.101 6.784 6.470 1.00 0.27 H new ATOM 0 HA VAL A 35 0.255 4.216 5.066 1.00 0.37 H new ATOM 0 HB VAL A 35 0.198 5.729 3.148 1.00 0.79 H new ATOM 0 HG11 VAL A 35 -2.276 6.261 3.317 1.00 1.21 H new ATOM 0 HG12 VAL A 35 -1.891 4.640 3.943 1.00 1.21 H new ATOM 0 HG13 VAL A 35 -2.179 5.985 5.072 1.00 1.21 H new ATOM 0 HG21 VAL A 35 -0.665 8.031 3.294 1.00 2.56 H new ATOM 0 HG22 VAL A 35 -0.489 7.965 5.064 1.00 2.56 H new ATOM 0 HG23 VAL A 35 0.948 7.837 4.022 1.00 2.56 H new ATOM 505 N GLN A 36 2.701 4.586 4.503 1.00 0.19 N ATOM 506 CA GLN A 36 4.091 4.814 4.164 1.00 0.25 C ATOM 507 C GLN A 36 4.373 4.124 2.831 1.00 0.22 C ATOM 508 O GLN A 36 4.854 2.993 2.786 1.00 0.26 O ATOM 509 CB GLN A 36 4.980 4.350 5.323 1.00 0.33 C ATOM 510 CG GLN A 36 6.466 4.633 5.068 1.00 0.48 C ATOM 511 CD GLN A 36 7.323 4.260 6.269 1.00 0.70 C ATOM 512 OE1 GLN A 36 7.992 5.105 6.854 1.00 1.75 O ATOM 513 NE2 GLN A 36 7.321 2.987 6.647 1.00 0.62 N ATOM 0 H GLN A 36 2.353 3.662 4.248 1.00 0.19 H new ATOM 0 HA GLN A 36 4.317 5.872 4.028 1.00 0.25 H new ATOM 0 HB2 GLN A 36 4.669 4.852 6.239 1.00 0.33 H new ATOM 0 HB3 GLN A 36 4.838 3.281 5.481 1.00 0.33 H new ATOM 0 HG2 GLN A 36 6.799 4.072 4.195 1.00 0.48 H new ATOM 0 HG3 GLN A 36 6.601 5.690 4.838 1.00 0.48 H new ATOM 0 HE21 GLN A 36 6.755 2.306 6.142 1.00 0.62 H new ATOM 0 HE22 GLN A 36 7.886 2.690 7.443 1.00 0.62 H new ATOM 522 N VAL A 37 4.092 4.829 1.732 1.00 0.26 N ATOM 523 CA VAL A 37 4.392 4.367 0.391 1.00 0.32 C ATOM 524 C VAL A 37 5.760 4.932 0.009 1.00 0.38 C ATOM 525 O VAL A 37 5.857 6.124 -0.278 1.00 0.50 O ATOM 526 CB VAL A 37 3.306 4.907 -0.551 1.00 0.59 C ATOM 527 CG1 VAL A 37 3.598 4.513 -1.997 1.00 2.35 C ATOM 528 CG2 VAL A 37 1.921 4.370 -0.179 1.00 1.84 C ATOM 0 H VAL A 37 3.645 5.745 1.758 1.00 0.26 H new ATOM 0 HA VAL A 37 4.412 3.279 0.326 1.00 0.32 H new ATOM 0 HB VAL A 37 3.313 5.992 -0.449 1.00 0.59 H new ATOM 0 HG11 VAL A 37 2.816 4.906 -2.646 1.00 2.35 H new ATOM 0 HG12 VAL A 37 4.561 4.925 -2.299 1.00 2.35 H new ATOM 0 HG13 VAL A 37 3.626 3.426 -2.080 1.00 2.35 H new ATOM 0 HG21 VAL A 37 1.178 4.773 -0.867 1.00 1.84 H new ATOM 0 HG22 VAL A 37 1.923 3.282 -0.244 1.00 1.84 H new ATOM 0 HG23 VAL A 37 1.675 4.672 0.839 1.00 1.84 H new ATOM 538 N LEU A 38 6.807 4.098 -0.020 1.00 0.38 N ATOM 539 CA LEU A 38 8.109 4.523 -0.509 1.00 0.44 C ATOM 540 C LEU A 38 8.298 3.942 -1.906 1.00 0.42 C ATOM 541 O LEU A 38 8.726 2.799 -2.082 1.00 0.40 O ATOM 542 CB LEU A 38 9.223 4.140 0.469 1.00 0.53 C ATOM 543 CG LEU A 38 10.604 4.560 -0.066 1.00 0.55 C ATOM 544 CD1 LEU A 38 10.697 6.056 -0.404 1.00 0.85 C ATOM 545 CD2 LEU A 38 11.678 4.222 0.971 1.00 0.82 C ATOM 0 H LEU A 38 6.770 3.127 0.291 1.00 0.38 H new ATOM 0 HA LEU A 38 8.160 5.610 -0.578 1.00 0.44 H new ATOM 0 HB2 LEU A 38 9.044 4.616 1.433 1.00 0.53 H new ATOM 0 HB3 LEU A 38 9.208 3.063 0.638 1.00 0.53 H new ATOM 0 HG LEU A 38 10.759 4.007 -0.993 1.00 0.55 H new ATOM 0 HD11 LEU A 38 11.696 6.284 -0.775 1.00 0.85 H new ATOM 0 HD12 LEU A 38 9.961 6.303 -1.169 1.00 0.85 H new ATOM 0 HD13 LEU A 38 10.500 6.644 0.492 1.00 0.85 H new ATOM 0 HD21 LEU A 38 12.656 4.519 0.592 1.00 0.82 H new ATOM 0 HD22 LEU A 38 11.470 4.757 1.898 1.00 0.82 H new ATOM 0 HD23 LEU A 38 11.674 3.149 1.162 1.00 0.82 H new ATOM 557 N PHE A 39 7.934 4.752 -2.900 1.00 0.47 N ATOM 558 CA PHE A 39 8.101 4.435 -4.304 1.00 0.42 C ATOM 559 C PHE A 39 9.582 4.320 -4.670 1.00 0.36 C ATOM 560 O PHE A 39 10.458 4.559 -3.839 1.00 0.34 O ATOM 561 CB PHE A 39 7.383 5.494 -5.141 1.00 0.48 C ATOM 562 CG PHE A 39 8.110 6.817 -5.255 1.00 0.41 C ATOM 563 CD1 PHE A 39 7.896 7.851 -4.323 1.00 1.87 C ATOM 564 CD2 PHE A 39 8.956 7.039 -6.355 1.00 1.78 C ATOM 565 CE1 PHE A 39 8.383 9.141 -4.592 1.00 1.91 C ATOM 566 CE2 PHE A 39 9.424 8.327 -6.636 1.00 1.82 C ATOM 567 CZ PHE A 39 9.081 9.387 -5.787 1.00 0.69 C ATOM 0 H PHE A 39 7.507 5.664 -2.740 1.00 0.47 H new ATOM 0 HA PHE A 39 7.656 3.463 -4.516 1.00 0.42 H new ATOM 0 HB2 PHE A 39 7.223 5.097 -6.143 1.00 0.48 H new ATOM 0 HB3 PHE A 39 6.399 5.673 -4.708 1.00 0.48 H new ATOM 0 HD1 PHE A 39 7.360 7.653 -3.406 1.00 1.87 H new ATOM 0 HD2 PHE A 39 9.246 6.212 -6.986 1.00 1.78 H new ATOM 0 HE1 PHE A 39 8.222 9.940 -3.884 1.00 1.91 H new ATOM 0 HE2 PHE A 39 10.045 8.503 -7.502 1.00 1.82 H new ATOM 0 HZ PHE A 39 9.354 10.398 -6.052 1.00 0.69 H new ATOM 577 N ALA A 40 9.857 3.926 -5.917 1.00 0.43 N ATOM 578 CA ALA A 40 11.184 3.686 -6.474 1.00 0.42 C ATOM 579 C ALA A 40 11.739 2.375 -5.918 1.00 0.51 C ATOM 580 O ALA A 40 12.071 1.472 -6.678 1.00 0.78 O ATOM 581 CB ALA A 40 12.129 4.880 -6.276 1.00 0.42 C ATOM 0 H ALA A 40 9.117 3.758 -6.599 1.00 0.43 H new ATOM 0 HA ALA A 40 11.099 3.582 -7.556 1.00 0.42 H new ATOM 0 HB1 ALA A 40 13.103 4.649 -6.708 1.00 0.42 H new ATOM 0 HB2 ALA A 40 11.713 5.759 -6.768 1.00 0.42 H new ATOM 0 HB3 ALA A 40 12.244 5.081 -5.211 1.00 0.42 H new ATOM 587 N THR A 41 11.768 2.243 -4.591 1.00 0.50 N ATOM 588 CA THR A 41 12.100 1.008 -3.895 1.00 0.69 C ATOM 589 C THR A 41 10.868 0.103 -3.709 1.00 0.71 C ATOM 590 O THR A 41 10.929 -0.832 -2.916 1.00 0.98 O ATOM 591 CB THR A 41 12.776 1.372 -2.559 1.00 0.77 C ATOM 592 OG1 THR A 41 13.571 2.529 -2.732 1.00 1.24 O ATOM 593 CG2 THR A 41 13.692 0.258 -2.038 1.00 1.32 C ATOM 0 H THR A 41 11.555 3.014 -3.958 1.00 0.50 H new ATOM 0 HA THR A 41 12.795 0.422 -4.496 1.00 0.69 H new ATOM 0 HB THR A 41 11.975 1.533 -1.837 1.00 0.77 H new ATOM 0 HG1 THR A 41 14.000 2.762 -1.882 1.00 1.24 H new ATOM 0 HG21 THR A 41 14.142 0.568 -1.095 1.00 1.32 H new ATOM 0 HG22 THR A 41 13.108 -0.649 -1.881 1.00 1.32 H new ATOM 0 HG23 THR A 41 14.478 0.062 -2.768 1.00 1.32 H new ATOM 601 N GLU A 42 9.775 0.353 -4.448 1.00 0.78 N ATOM 602 CA GLU A 42 8.639 -0.555 -4.628 1.00 0.95 C ATOM 603 C GLU A 42 8.148 -1.240 -3.341 1.00 0.75 C ATOM 604 O GLU A 42 7.805 -2.426 -3.355 1.00 0.90 O ATOM 605 CB GLU A 42 8.924 -1.495 -5.815 1.00 1.45 C ATOM 606 CG GLU A 42 10.196 -2.354 -5.695 1.00 1.23 C ATOM 607 CD GLU A 42 10.484 -3.184 -6.944 1.00 2.08 C ATOM 608 OE1 GLU A 42 10.123 -2.718 -8.050 1.00 3.10 O ATOM 609 OE2 GLU A 42 11.102 -4.257 -6.782 1.00 2.95 O ATOM 0 H GLU A 42 9.657 1.230 -4.956 1.00 0.78 H new ATOM 0 HA GLU A 42 7.763 0.040 -4.886 1.00 0.95 H new ATOM 0 HB2 GLU A 42 8.069 -2.160 -5.942 1.00 1.45 H new ATOM 0 HB3 GLU A 42 8.998 -0.894 -6.721 1.00 1.45 H new ATOM 0 HG2 GLU A 42 11.048 -1.704 -5.495 1.00 1.23 H new ATOM 0 HG3 GLU A 42 10.096 -3.021 -4.839 1.00 1.23 H new ATOM 616 N LYS A 43 8.055 -0.468 -2.248 1.00 0.46 N ATOM 617 CA LYS A 43 7.706 -0.949 -0.927 1.00 0.32 C ATOM 618 C LYS A 43 6.678 0.001 -0.343 1.00 0.31 C ATOM 619 O LYS A 43 6.943 1.179 -0.086 1.00 0.53 O ATOM 620 CB LYS A 43 8.988 -1.002 -0.088 1.00 0.77 C ATOM 621 CG LYS A 43 9.048 -2.059 1.010 1.00 1.12 C ATOM 622 CD LYS A 43 8.570 -1.446 2.326 1.00 1.17 C ATOM 623 CE LYS A 43 8.827 -2.410 3.491 1.00 2.31 C ATOM 624 NZ LYS A 43 10.266 -2.610 3.754 1.00 2.99 N ATOM 0 H LYS A 43 8.228 0.537 -2.273 1.00 0.46 H new ATOM 0 HA LYS A 43 7.274 -1.949 -0.949 1.00 0.32 H new ATOM 0 HB2 LYS A 43 9.829 -1.165 -0.762 1.00 0.77 H new ATOM 0 HB3 LYS A 43 9.133 -0.025 0.373 1.00 0.77 H new ATOM 0 HG2 LYS A 43 8.423 -2.912 0.744 1.00 1.12 H new ATOM 0 HG3 LYS A 43 10.067 -2.431 1.117 1.00 1.12 H new ATOM 0 HD2 LYS A 43 9.088 -0.504 2.505 1.00 1.17 H new ATOM 0 HD3 LYS A 43 7.506 -1.218 2.263 1.00 1.17 H new ATOM 0 HE2 LYS A 43 8.347 -2.024 4.390 1.00 2.31 H new ATOM 0 HE3 LYS A 43 8.364 -3.372 3.271 1.00 2.31 H new ATOM 0 HZ1 LYS A 43 10.391 -3.037 4.694 1.00 2.99 H new ATOM 0 HZ2 LYS A 43 10.667 -3.241 3.031 1.00 2.99 H new ATOM 0 HZ3 LYS A 43 10.755 -1.693 3.723 1.00 2.99 H new ATOM 638 N LEU A 44 5.487 -0.540 -0.130 1.00 0.37 N ATOM 639 CA LEU A 44 4.446 0.068 0.628 1.00 0.32 C ATOM 640 C LEU A 44 4.532 -0.571 2.026 1.00 0.19 C ATOM 641 O LEU A 44 5.036 -1.685 2.166 1.00 0.38 O ATOM 642 CB LEU A 44 3.161 -0.205 -0.174 1.00 0.41 C ATOM 643 CG LEU A 44 1.949 -0.310 0.717 1.00 0.46 C ATOM 644 CD1 LEU A 44 1.656 1.052 1.314 1.00 0.75 C ATOM 645 CD2 LEU A 44 0.711 -0.783 -0.032 1.00 0.90 C ATOM 0 H LEU A 44 5.227 -1.453 -0.504 1.00 0.37 H new ATOM 0 HA LEU A 44 4.497 1.146 0.782 1.00 0.32 H new ATOM 0 HB2 LEU A 44 3.010 0.595 -0.899 1.00 0.41 H new ATOM 0 HB3 LEU A 44 3.276 -1.130 -0.739 1.00 0.41 H new ATOM 0 HG LEU A 44 2.176 -1.046 1.488 1.00 0.46 H new ATOM 0 HD11 LEU A 44 0.781 0.985 1.960 1.00 0.75 H new ATOM 0 HD12 LEU A 44 2.514 1.385 1.898 1.00 0.75 H new ATOM 0 HD13 LEU A 44 1.463 1.766 0.514 1.00 0.75 H new ATOM 0 HD21 LEU A 44 -0.131 -0.841 0.657 1.00 0.90 H new ATOM 0 HD22 LEU A 44 0.478 -0.079 -0.831 1.00 0.90 H new ATOM 0 HD23 LEU A 44 0.898 -1.768 -0.459 1.00 0.90 H new ATOM 657 N VAL A 45 4.055 0.152 3.039 1.00 0.35 N ATOM 658 CA VAL A 45 3.859 -0.146 4.427 1.00 0.33 C ATOM 659 C VAL A 45 2.549 0.564 4.754 1.00 0.39 C ATOM 660 O VAL A 45 2.392 1.742 4.417 1.00 0.33 O ATOM 661 CB VAL A 45 5.024 0.389 5.267 1.00 0.39 C ATOM 662 CG1 VAL A 45 4.568 0.711 6.690 1.00 0.46 C ATOM 663 CG2 VAL A 45 6.103 -0.682 5.312 1.00 0.40 C ATOM 0 H VAL A 45 3.755 1.109 2.854 1.00 0.35 H new ATOM 0 HA VAL A 45 3.819 -1.214 4.642 1.00 0.33 H new ATOM 0 HB VAL A 45 5.404 1.307 4.818 1.00 0.39 H new ATOM 0 HG11 VAL A 45 5.413 1.089 7.266 1.00 0.46 H new ATOM 0 HG12 VAL A 45 3.783 1.467 6.658 1.00 0.46 H new ATOM 0 HG13 VAL A 45 4.182 -0.193 7.162 1.00 0.46 H new ATOM 0 HG21 VAL A 45 6.945 -0.325 5.905 1.00 0.40 H new ATOM 0 HG22 VAL A 45 5.698 -1.587 5.764 1.00 0.40 H new ATOM 0 HG23 VAL A 45 6.440 -0.902 4.299 1.00 0.40 H new ATOM 673 N VAL A 46 1.621 -0.149 5.375 1.00 0.53 N ATOM 674 CA VAL A 46 0.456 0.420 6.006 1.00 0.38 C ATOM 675 C VAL A 46 0.558 0.076 7.477 1.00 0.31 C ATOM 676 O VAL A 46 0.914 -1.053 7.816 1.00 0.36 O ATOM 677 CB VAL A 46 -0.816 -0.173 5.400 1.00 0.52 C ATOM 678 CG1 VAL A 46 -2.040 0.411 6.093 1.00 0.97 C ATOM 679 CG2 VAL A 46 -0.885 0.187 3.922 1.00 0.43 C ATOM 0 H VAL A 46 1.666 -1.165 5.452 1.00 0.53 H new ATOM 0 HA VAL A 46 0.410 1.499 5.859 1.00 0.38 H new ATOM 0 HB VAL A 46 -0.798 -1.255 5.528 1.00 0.52 H new ATOM 0 HG11 VAL A 46 -2.943 -0.015 5.657 1.00 0.97 H new ATOM 0 HG12 VAL A 46 -2.004 0.174 7.156 1.00 0.97 H new ATOM 0 HG13 VAL A 46 -2.050 1.493 5.963 1.00 0.97 H new ATOM 0 HG21 VAL A 46 -1.791 -0.234 3.487 1.00 0.43 H new ATOM 0 HG22 VAL A 46 -0.900 1.271 3.812 1.00 0.43 H new ATOM 0 HG23 VAL A 46 -0.013 -0.218 3.408 1.00 0.43 H new ATOM 689 N ASP A 47 0.229 1.041 8.328 1.00 0.28 N ATOM 690 CA ASP A 47 0.176 0.844 9.756 1.00 0.25 C ATOM 691 C ASP A 47 -1.292 0.947 10.130 1.00 0.19 C ATOM 692 O ASP A 47 -1.845 2.050 10.172 1.00 0.34 O ATOM 693 CB ASP A 47 1.053 1.891 10.426 1.00 0.41 C ATOM 694 CG ASP A 47 2.532 1.592 10.204 1.00 1.11 C ATOM 695 OD1 ASP A 47 3.057 2.052 9.166 1.00 2.18 O ATOM 696 OD2 ASP A 47 3.110 0.889 11.060 1.00 1.73 O ATOM 0 H ASP A 47 -0.009 1.988 8.035 1.00 0.28 H new ATOM 0 HA ASP A 47 0.559 -0.122 10.084 1.00 0.25 H new ATOM 0 HB2 ASP A 47 0.815 2.878 10.029 1.00 0.41 H new ATOM 0 HB3 ASP A 47 0.841 1.918 11.495 1.00 0.41 H new ATOM 701 N ALA A 48 -1.937 -0.206 10.323 1.00 0.22 N ATOM 702 CA ALA A 48 -3.374 -0.327 10.530 1.00 0.25 C ATOM 703 C ALA A 48 -3.661 -1.011 11.864 1.00 0.41 C ATOM 704 O ALA A 48 -3.016 -2.006 12.208 1.00 0.69 O ATOM 705 CB ALA A 48 -4.003 -1.122 9.383 1.00 0.33 C ATOM 0 H ALA A 48 -1.456 -1.105 10.339 1.00 0.22 H new ATOM 0 HA ALA A 48 -3.811 0.671 10.550 1.00 0.25 H new ATOM 0 HB1 ALA A 48 -5.077 -1.208 9.546 1.00 0.33 H new ATOM 0 HB2 ALA A 48 -3.819 -0.608 8.440 1.00 0.33 H new ATOM 0 HB3 ALA A 48 -3.561 -2.118 9.345 1.00 0.33 H new ATOM 711 N ASP A 49 -4.675 -0.496 12.565 1.00 0.38 N ATOM 712 CA ASP A 49 -5.159 -1.025 13.839 1.00 0.52 C ATOM 713 C ASP A 49 -6.592 -1.502 13.629 1.00 0.54 C ATOM 714 O ASP A 49 -7.530 -1.083 14.303 1.00 0.62 O ATOM 715 CB ASP A 49 -5.038 0.022 14.959 1.00 0.64 C ATOM 716 CG ASP A 49 -3.611 0.157 15.466 1.00 1.14 C ATOM 717 OD1 ASP A 49 -2.747 0.477 14.622 1.00 2.17 O ATOM 718 OD2 ASP A 49 -3.400 -0.066 16.679 1.00 2.04 O ATOM 0 H ASP A 49 -5.195 0.323 12.251 1.00 0.38 H new ATOM 0 HA ASP A 49 -4.547 -1.867 14.163 1.00 0.52 H new ATOM 0 HB2 ASP A 49 -5.384 0.988 14.590 1.00 0.64 H new ATOM 0 HB3 ASP A 49 -5.691 -0.256 15.786 1.00 0.64 H new ATOM 723 N ASN A 50 -6.733 -2.421 12.677 1.00 0.52 N ATOM 724 CA ASN A 50 -7.920 -3.221 12.447 1.00 0.47 C ATOM 725 C ASN A 50 -7.438 -4.401 11.613 1.00 0.46 C ATOM 726 O ASN A 50 -6.745 -5.273 12.133 1.00 0.83 O ATOM 727 CB ASN A 50 -9.044 -2.396 11.791 1.00 0.58 C ATOM 728 CG ASN A 50 -10.290 -3.243 11.520 1.00 1.68 C ATOM 729 OD1 ASN A 50 -10.533 -3.665 10.277 1.00 2.31 O flip ATOM 730 ND2 ASN A 50 -11.048 -3.527 12.439 1.00 2.52 N flip ATOM 0 H ASN A 50 -5.985 -2.633 12.017 1.00 0.52 H new ATOM 0 HA ASN A 50 -8.380 -3.575 13.370 1.00 0.47 H new ATOM 0 HB2 ASN A 50 -9.307 -1.560 12.440 1.00 0.58 H new ATOM 0 HB3 ASN A 50 -8.683 -1.971 10.854 1.00 0.58 H new ATOM 0 HD21 ASN A 50 -10.850 -3.198 13.384 1.00 2.52 H new ATOM 0 HD22 ASN A 50 -11.877 -4.093 12.260 1.00 2.52 H new ATOM 737 N ASP A 51 -7.716 -4.380 10.310 1.00 0.43 N ATOM 738 CA ASP A 51 -7.484 -5.465 9.384 1.00 0.58 C ATOM 739 C ASP A 51 -7.982 -5.004 8.018 1.00 0.55 C ATOM 740 O ASP A 51 -9.189 -4.896 7.785 1.00 0.86 O ATOM 741 CB ASP A 51 -8.246 -6.718 9.806 1.00 0.86 C ATOM 742 CG ASP A 51 -7.800 -7.914 8.972 1.00 1.27 C ATOM 743 OD1 ASP A 51 -6.986 -7.698 8.043 1.00 1.65 O ATOM 744 OD2 ASP A 51 -8.249 -9.030 9.303 1.00 2.35 O ATOM 0 H ASP A 51 -8.128 -3.563 9.860 1.00 0.43 H new ATOM 0 HA ASP A 51 -6.423 -5.714 9.361 1.00 0.58 H new ATOM 0 HB2 ASP A 51 -8.073 -6.918 10.863 1.00 0.86 H new ATOM 0 HB3 ASP A 51 -9.317 -6.559 9.683 1.00 0.86 H new ATOM 749 N ILE A 52 -7.046 -4.613 7.162 1.00 0.43 N ATOM 750 CA ILE A 52 -7.333 -4.039 5.859 1.00 0.37 C ATOM 751 C ILE A 52 -6.386 -4.559 4.797 1.00 0.42 C ATOM 752 O ILE A 52 -6.397 -4.062 3.684 1.00 0.31 O ATOM 753 CB ILE A 52 -7.283 -2.504 5.908 1.00 0.31 C ATOM 754 CG1 ILE A 52 -6.025 -1.964 6.606 1.00 0.35 C ATOM 755 CG2 ILE A 52 -8.553 -1.955 6.540 1.00 0.36 C ATOM 756 CD1 ILE A 52 -4.890 -1.835 5.599 1.00 0.37 C ATOM 0 H ILE A 52 -6.048 -4.689 7.360 1.00 0.43 H new ATOM 0 HA ILE A 52 -8.343 -4.347 5.590 1.00 0.37 H new ATOM 0 HB ILE A 52 -7.223 -2.152 4.878 1.00 0.31 H new ATOM 0 HG12 ILE A 52 -6.236 -0.994 7.056 1.00 0.35 H new ATOM 0 HG13 ILE A 52 -5.731 -2.633 7.415 1.00 0.35 H new ATOM 0 HG21 ILE A 52 -8.504 -0.866 6.568 1.00 0.36 H new ATOM 0 HG22 ILE A 52 -9.416 -2.264 5.950 1.00 0.36 H new ATOM 0 HG23 ILE A 52 -8.650 -2.340 7.555 1.00 0.36 H new ATOM 0 HD11 ILE A 52 -4.001 -1.452 6.100 1.00 0.37 H new ATOM 0 HD12 ILE A 52 -4.672 -2.813 5.170 1.00 0.37 H new ATOM 0 HD13 ILE A 52 -5.184 -1.148 4.805 1.00 0.37 H new ATOM 768 N ARG A 53 -5.475 -5.465 5.125 1.00 0.65 N ATOM 769 CA ARG A 53 -4.288 -5.619 4.287 1.00 0.48 C ATOM 770 C ARG A 53 -4.666 -6.216 2.946 1.00 0.29 C ATOM 771 O ARG A 53 -4.196 -5.777 1.902 1.00 0.24 O ATOM 772 CB ARG A 53 -3.214 -6.483 4.930 1.00 0.53 C ATOM 773 CG ARG A 53 -3.295 -6.506 6.450 1.00 0.68 C ATOM 774 CD ARG A 53 -2.101 -7.283 6.980 1.00 1.12 C ATOM 775 NE ARG A 53 -2.461 -7.870 8.280 1.00 1.58 N ATOM 776 CZ ARG A 53 -2.207 -9.094 8.756 1.00 1.99 C ATOM 777 NH1 ARG A 53 -1.626 -10.021 7.988 1.00 1.99 N ATOM 778 NH2 ARG A 53 -2.547 -9.358 10.022 1.00 2.71 N ATOM 0 H ARG A 53 -5.527 -6.085 5.934 1.00 0.65 H new ATOM 0 HA ARG A 53 -3.873 -4.620 4.157 1.00 0.48 H new ATOM 0 HB2 ARG A 53 -3.302 -7.502 4.552 1.00 0.53 H new ATOM 0 HB3 ARG A 53 -2.233 -6.115 4.630 1.00 0.53 H new ATOM 0 HG2 ARG A 53 -3.293 -5.490 6.846 1.00 0.68 H new ATOM 0 HG3 ARG A 53 -4.226 -6.972 6.774 1.00 0.68 H new ATOM 0 HD2 ARG A 53 -1.817 -8.066 6.277 1.00 1.12 H new ATOM 0 HD3 ARG A 53 -1.239 -6.624 7.088 1.00 1.12 H new ATOM 0 HE ARG A 53 -2.978 -7.256 8.909 1.00 1.58 H new ATOM 0 HH11 ARG A 53 -1.370 -9.799 7.026 1.00 1.99 H new ATOM 0 HH12 ARG A 53 -1.438 -10.950 8.364 1.00 1.99 H new ATOM 0 HH21 ARG A 53 -2.986 -8.636 10.593 1.00 2.71 H new ATOM 0 HH22 ARG A 53 -2.367 -10.281 10.416 1.00 2.71 H new ATOM 792 N ALA A 54 -5.534 -7.221 2.993 1.00 0.34 N ATOM 793 CA ALA A 54 -6.070 -7.808 1.789 1.00 0.34 C ATOM 794 C ALA A 54 -6.873 -6.746 1.022 1.00 0.30 C ATOM 795 O ALA A 54 -6.794 -6.657 -0.200 1.00 0.56 O ATOM 796 CB ALA A 54 -6.832 -9.072 2.150 1.00 0.54 C ATOM 0 H ALA A 54 -5.876 -7.640 3.857 1.00 0.34 H new ATOM 0 HA ALA A 54 -5.287 -8.127 1.101 1.00 0.34 H new ATOM 0 HB1 ALA A 54 -7.240 -9.522 1.245 1.00 0.54 H new ATOM 0 HB2 ALA A 54 -6.157 -9.778 2.633 1.00 0.54 H new ATOM 0 HB3 ALA A 54 -7.646 -8.824 2.831 1.00 0.54 H new ATOM 802 N GLN A 55 -7.588 -5.872 1.738 1.00 0.27 N ATOM 803 CA GLN A 55 -8.207 -4.700 1.139 1.00 0.23 C ATOM 804 C GLN A 55 -7.180 -3.822 0.420 1.00 0.21 C ATOM 805 O GLN A 55 -7.391 -3.434 -0.724 1.00 0.23 O ATOM 806 CB GLN A 55 -9.099 -3.922 2.119 1.00 0.37 C ATOM 807 CG GLN A 55 -10.267 -4.758 2.679 1.00 0.90 C ATOM 808 CD GLN A 55 -9.918 -5.468 3.987 1.00 1.95 C ATOM 809 OE1 GLN A 55 -8.972 -6.251 4.044 1.00 3.78 O ATOM 810 NE2 GLN A 55 -10.627 -5.155 5.070 1.00 1.31 N ATOM 0 H GLN A 55 -7.749 -5.962 2.741 1.00 0.27 H new ATOM 0 HA GLN A 55 -8.890 -5.063 0.371 1.00 0.23 H new ATOM 0 HB2 GLN A 55 -8.489 -3.563 2.948 1.00 0.37 H new ATOM 0 HB3 GLN A 55 -9.500 -3.043 1.614 1.00 0.37 H new ATOM 0 HG2 GLN A 55 -11.127 -4.108 2.843 1.00 0.90 H new ATOM 0 HG3 GLN A 55 -10.565 -5.499 1.937 1.00 0.90 H new ATOM 0 HE21 GLN A 55 -11.408 -4.503 4.997 1.00 1.31 H new ATOM 0 HE22 GLN A 55 -10.389 -5.568 5.972 1.00 1.31 H new ATOM 819 N VAL A 56 -6.058 -3.527 1.068 1.00 0.23 N ATOM 820 CA VAL A 56 -4.994 -2.720 0.511 1.00 0.27 C ATOM 821 C VAL A 56 -4.429 -3.359 -0.748 1.00 0.24 C ATOM 822 O VAL A 56 -4.358 -2.717 -1.791 1.00 0.27 O ATOM 823 CB VAL A 56 -3.903 -2.478 1.533 1.00 0.44 C ATOM 824 CG1 VAL A 56 -2.637 -1.950 0.849 1.00 0.45 C ATOM 825 CG2 VAL A 56 -4.387 -1.440 2.534 1.00 0.57 C ATOM 0 H VAL A 56 -5.865 -3.852 2.015 1.00 0.23 H new ATOM 0 HA VAL A 56 -5.416 -1.753 0.237 1.00 0.27 H new ATOM 0 HB VAL A 56 -3.673 -3.418 2.035 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -1.863 -1.781 1.597 1.00 0.45 H new ATOM 0 HG12 VAL A 56 -2.285 -2.681 0.121 1.00 0.45 H new ATOM 0 HG13 VAL A 56 -2.862 -1.012 0.342 1.00 0.45 H new ATOM 0 HG21 VAL A 56 -3.608 -1.258 3.275 1.00 0.57 H new ATOM 0 HG22 VAL A 56 -4.616 -0.511 2.013 1.00 0.57 H new ATOM 0 HG23 VAL A 56 -5.284 -1.806 3.033 1.00 0.57 H new ATOM 835 N GLU A 57 -3.976 -4.606 -0.648 1.00 0.27 N ATOM 836 CA GLU A 57 -3.316 -5.251 -1.763 1.00 0.40 C ATOM 837 C GLU A 57 -4.301 -5.401 -2.924 1.00 0.37 C ATOM 838 O GLU A 57 -3.984 -5.039 -4.056 1.00 0.40 O ATOM 839 CB GLU A 57 -2.602 -6.522 -1.283 1.00 0.56 C ATOM 840 CG GLU A 57 -3.530 -7.656 -0.856 1.00 0.73 C ATOM 841 CD GLU A 57 -3.897 -8.589 -2.003 1.00 1.62 C ATOM 842 OE1 GLU A 57 -2.952 -9.167 -2.580 1.00 2.42 O ATOM 843 OE2 GLU A 57 -5.111 -8.699 -2.279 1.00 2.72 O ATOM 0 H GLU A 57 -4.056 -5.181 0.191 1.00 0.27 H new ATOM 0 HA GLU A 57 -2.511 -4.642 -2.174 1.00 0.40 H new ATOM 0 HB2 GLU A 57 -1.955 -6.882 -2.083 1.00 0.56 H new ATOM 0 HB3 GLU A 57 -1.957 -6.264 -0.443 1.00 0.56 H new ATOM 0 HG2 GLU A 57 -3.050 -8.233 -0.065 1.00 0.73 H new ATOM 0 HG3 GLU A 57 -4.441 -7.233 -0.433 1.00 0.73 H new ATOM 850 N SER A 58 -5.543 -5.792 -2.626 1.00 0.35 N ATOM 851 CA SER A 58 -6.627 -5.762 -3.593 1.00 0.39 C ATOM 852 C SER A 58 -6.775 -4.356 -4.184 1.00 0.33 C ATOM 853 O SER A 58 -6.981 -4.211 -5.386 1.00 0.37 O ATOM 854 CB SER A 58 -7.928 -6.225 -2.929 1.00 0.45 C ATOM 855 OG SER A 58 -8.960 -6.378 -3.886 1.00 0.87 O ATOM 0 H SER A 58 -5.818 -6.137 -1.706 1.00 0.35 H new ATOM 0 HA SER A 58 -6.398 -6.445 -4.411 1.00 0.39 H new ATOM 0 HB2 SER A 58 -7.761 -7.171 -2.415 1.00 0.45 H new ATOM 0 HB3 SER A 58 -8.232 -5.501 -2.173 1.00 0.45 H new ATOM 0 HG SER A 58 -9.780 -6.676 -3.439 1.00 0.87 H new ATOM 861 N ALA A 59 -6.664 -3.309 -3.360 1.00 0.29 N ATOM 862 CA ALA A 59 -6.846 -1.936 -3.818 1.00 0.31 C ATOM 863 C ALA A 59 -5.740 -1.554 -4.800 1.00 0.31 C ATOM 864 O ALA A 59 -6.017 -1.040 -5.881 1.00 0.35 O ATOM 865 CB ALA A 59 -6.911 -0.948 -2.649 1.00 0.31 C ATOM 0 H ALA A 59 -6.447 -3.392 -2.367 1.00 0.29 H new ATOM 0 HA ALA A 59 -7.804 -1.881 -4.334 1.00 0.31 H new ATOM 0 HB1 ALA A 59 -7.047 0.063 -3.034 1.00 0.31 H new ATOM 0 HB2 ALA A 59 -7.749 -1.205 -2.001 1.00 0.31 H new ATOM 0 HB3 ALA A 59 -5.983 -0.997 -2.079 1.00 0.31 H new ATOM 871 N LEU A 60 -4.485 -1.821 -4.438 1.00 0.29 N ATOM 872 CA LEU A 60 -3.339 -1.625 -5.313 1.00 0.29 C ATOM 873 C LEU A 60 -3.504 -2.427 -6.601 1.00 0.30 C ATOM 874 O LEU A 60 -3.238 -1.917 -7.686 1.00 0.35 O ATOM 875 CB LEU A 60 -2.047 -2.011 -4.579 1.00 0.27 C ATOM 876 CG LEU A 60 -1.334 -0.761 -4.047 1.00 0.31 C ATOM 877 CD1 LEU A 60 -2.167 -0.082 -2.954 1.00 0.39 C ATOM 878 CD2 LEU A 60 0.048 -1.071 -3.472 1.00 0.45 C ATOM 0 H LEU A 60 -4.237 -2.184 -3.517 1.00 0.29 H new ATOM 0 HA LEU A 60 -3.276 -0.571 -5.585 1.00 0.29 H new ATOM 0 HB2 LEU A 60 -2.279 -2.683 -3.753 1.00 0.27 H new ATOM 0 HB3 LEU A 60 -1.386 -2.553 -5.255 1.00 0.27 H new ATOM 0 HG LEU A 60 -1.214 -0.098 -4.904 1.00 0.31 H new ATOM 0 HD11 LEU A 60 -1.641 0.802 -2.592 1.00 0.39 H new ATOM 0 HD12 LEU A 60 -3.133 0.213 -3.363 1.00 0.39 H new ATOM 0 HD13 LEU A 60 -2.320 -0.777 -2.128 1.00 0.39 H new ATOM 0 HD21 LEU A 60 0.506 -0.151 -3.110 1.00 0.45 H new ATOM 0 HD22 LEU A 60 -0.051 -1.776 -2.646 1.00 0.45 H new ATOM 0 HD23 LEU A 60 0.676 -1.508 -4.249 1.00 0.45 H new ATOM 890 N GLN A 61 -3.961 -3.673 -6.498 1.00 0.28 N ATOM 891 CA GLN A 61 -4.232 -4.500 -7.659 1.00 0.33 C ATOM 892 C GLN A 61 -5.299 -3.846 -8.540 1.00 0.40 C ATOM 893 O GLN A 61 -5.149 -3.801 -9.758 1.00 0.44 O ATOM 894 CB GLN A 61 -4.590 -5.909 -7.182 1.00 0.34 C ATOM 895 CG GLN A 61 -4.812 -6.862 -8.355 1.00 0.51 C ATOM 896 CD GLN A 61 -4.793 -8.314 -7.894 1.00 1.02 C ATOM 897 OE1 GLN A 61 -5.819 -8.985 -7.881 1.00 1.47 O ATOM 898 NE2 GLN A 61 -3.617 -8.808 -7.514 1.00 1.34 N ATOM 0 H GLN A 61 -4.152 -4.132 -5.607 1.00 0.28 H new ATOM 0 HA GLN A 61 -3.351 -4.590 -8.294 1.00 0.33 H new ATOM 0 HB2 GLN A 61 -3.791 -6.293 -6.547 1.00 0.34 H new ATOM 0 HB3 GLN A 61 -5.491 -5.868 -6.570 1.00 0.34 H new ATOM 0 HG2 GLN A 61 -5.767 -6.641 -8.831 1.00 0.51 H new ATOM 0 HG3 GLN A 61 -4.038 -6.706 -9.106 1.00 0.51 H new ATOM 0 HE21 GLN A 61 -2.785 -8.219 -7.538 1.00 1.34 H new ATOM 0 HE22 GLN A 61 -3.548 -9.775 -7.198 1.00 1.34 H new ATOM 907 N LYS A 62 -6.350 -3.301 -7.924 1.00 0.45 N ATOM 908 CA LYS A 62 -7.390 -2.548 -8.617 1.00 0.55 C ATOM 909 C LYS A 62 -6.802 -1.328 -9.331 1.00 0.53 C ATOM 910 O LYS A 62 -7.114 -1.078 -10.492 1.00 0.58 O ATOM 911 CB LYS A 62 -8.502 -2.151 -7.634 1.00 0.72 C ATOM 912 CG LYS A 62 -9.820 -2.841 -8.006 1.00 1.02 C ATOM 913 CD LYS A 62 -10.744 -2.810 -6.791 1.00 1.66 C ATOM 914 CE LYS A 62 -12.149 -3.309 -7.156 1.00 2.33 C ATOM 915 NZ LYS A 62 -13.006 -3.465 -5.963 1.00 2.93 N ATOM 0 H LYS A 62 -6.502 -3.373 -6.918 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.831 -3.185 -9.383 1.00 0.55 H new ATOM 0 HB2 LYS A 62 -8.214 -2.427 -6.620 1.00 0.72 H new ATOM 0 HB3 LYS A 62 -8.636 -1.069 -7.644 1.00 0.72 H new ATOM 0 HG2 LYS A 62 -10.288 -2.334 -8.850 1.00 1.02 H new ATOM 0 HG3 LYS A 62 -9.635 -3.870 -8.315 1.00 1.02 H new ATOM 0 HD2 LYS A 62 -10.328 -3.431 -5.998 1.00 1.66 H new ATOM 0 HD3 LYS A 62 -10.805 -1.794 -6.402 1.00 1.66 H new ATOM 0 HE2 LYS A 62 -12.615 -2.608 -7.848 1.00 2.33 H new ATOM 0 HE3 LYS A 62 -12.071 -4.265 -7.675 1.00 2.33 H new ATOM 0 HZ1 LYS A 62 -13.946 -3.804 -6.253 1.00 2.93 H new ATOM 0 HZ2 LYS A 62 -12.575 -4.153 -5.314 1.00 2.93 H new ATOM 0 HZ3 LYS A 62 -13.102 -2.548 -5.482 1.00 2.93 H new ATOM 929 N ALA A 63 -5.967 -0.558 -8.629 1.00 0.50 N ATOM 930 CA ALA A 63 -5.302 0.615 -9.181 1.00 0.53 C ATOM 931 C ALA A 63 -4.381 0.223 -10.341 1.00 0.50 C ATOM 932 O ALA A 63 -4.293 0.949 -11.328 1.00 0.56 O ATOM 933 CB ALA A 63 -4.538 1.346 -8.074 1.00 0.55 C ATOM 0 H ALA A 63 -5.734 -0.737 -7.652 1.00 0.50 H new ATOM 0 HA ALA A 63 -6.053 1.295 -9.583 1.00 0.53 H new ATOM 0 HB1 ALA A 63 -4.042 2.222 -8.492 1.00 0.55 H new ATOM 0 HB2 ALA A 63 -5.235 1.659 -7.297 1.00 0.55 H new ATOM 0 HB3 ALA A 63 -3.792 0.678 -7.644 1.00 0.55 H new ATOM 939 N GLY A 64 -3.708 -0.925 -10.216 1.00 0.46 N ATOM 940 CA GLY A 64 -2.946 -1.567 -11.278 1.00 0.49 C ATOM 941 C GLY A 64 -1.500 -1.848 -10.871 1.00 0.48 C ATOM 942 O GLY A 64 -0.591 -1.628 -11.668 1.00 0.58 O ATOM 0 H GLY A 64 -3.681 -1.447 -9.340 1.00 0.46 H new ATOM 0 HA2 GLY A 64 -3.431 -2.503 -11.554 1.00 0.49 H new ATOM 0 HA3 GLY A 64 -2.954 -0.931 -12.163 1.00 0.49 H new ATOM 946 N TYR A 65 -1.274 -2.345 -9.649 1.00 0.42 N ATOM 947 CA TYR A 65 0.037 -2.704 -9.141 1.00 0.43 C ATOM 948 C TYR A 65 0.047 -4.173 -8.709 1.00 0.57 C ATOM 949 O TYR A 65 -0.896 -4.659 -8.091 1.00 1.20 O ATOM 950 CB TYR A 65 0.355 -1.813 -7.948 1.00 0.38 C ATOM 951 CG TYR A 65 0.439 -0.332 -8.245 1.00 0.38 C ATOM 952 CD1 TYR A 65 1.608 0.197 -8.822 1.00 1.91 C ATOM 953 CD2 TYR A 65 -0.611 0.527 -7.874 1.00 1.57 C ATOM 954 CE1 TYR A 65 1.733 1.583 -9.008 1.00 1.99 C ATOM 955 CE2 TYR A 65 -0.480 1.916 -8.050 1.00 1.55 C ATOM 956 CZ TYR A 65 0.697 2.443 -8.608 1.00 0.66 C ATOM 957 OH TYR A 65 0.858 3.791 -8.732 1.00 0.84 O ATOM 0 H TYR A 65 -2.023 -2.509 -8.976 1.00 0.42 H new ATOM 0 HA TYR A 65 0.786 -2.566 -9.920 1.00 0.43 H new ATOM 0 HB2 TYR A 65 -0.408 -1.970 -7.186 1.00 0.38 H new ATOM 0 HB3 TYR A 65 1.304 -2.134 -7.520 1.00 0.38 H new ATOM 0 HD1 TYR A 65 2.409 -0.463 -9.122 1.00 1.91 H new ATOM 0 HD2 TYR A 65 -1.519 0.120 -7.454 1.00 1.57 H new ATOM 0 HE1 TYR A 65 2.627 1.988 -9.459 1.00 1.99 H new ATOM 0 HE2 TYR A 65 -1.283 2.577 -7.757 1.00 1.55 H new ATOM 0 HH TYR A 65 0.052 4.247 -8.413 1.00 0.84 H new ATOM 967 N SER A 66 1.133 -4.878 -9.016 1.00 0.42 N ATOM 968 CA SER A 66 1.236 -6.328 -8.885 1.00 0.49 C ATOM 969 C SER A 66 1.950 -6.700 -7.585 1.00 0.64 C ATOM 970 O SER A 66 2.992 -7.357 -7.618 1.00 1.03 O ATOM 971 CB SER A 66 1.964 -6.887 -10.115 1.00 0.61 C ATOM 972 OG SER A 66 2.108 -8.290 -10.020 1.00 2.27 O ATOM 0 H SER A 66 1.986 -4.446 -9.371 1.00 0.42 H new ATOM 0 HA SER A 66 0.240 -6.769 -8.838 1.00 0.49 H new ATOM 0 HB2 SER A 66 1.408 -6.635 -11.018 1.00 0.61 H new ATOM 0 HB3 SER A 66 2.946 -6.422 -10.205 1.00 0.61 H new ATOM 0 HG SER A 66 2.592 -8.514 -9.198 1.00 2.27 H new ATOM 978 N LEU A 67 1.401 -6.278 -6.449 1.00 0.43 N ATOM 979 CA LEU A 67 2.065 -6.482 -5.166 1.00 0.43 C ATOM 980 C LEU A 67 1.925 -7.882 -4.584 1.00 0.44 C ATOM 981 O LEU A 67 1.265 -8.753 -5.149 1.00 0.48 O ATOM 982 CB LEU A 67 1.732 -5.414 -4.162 1.00 0.39 C ATOM 983 CG LEU A 67 0.429 -5.615 -3.433 1.00 0.48 C ATOM 984 CD1 LEU A 67 0.279 -4.262 -2.776 1.00 1.66 C ATOM 985 CD2 LEU A 67 -0.723 -5.882 -4.392 1.00 1.72 C ATOM 0 H LEU A 67 0.504 -5.796 -6.391 1.00 0.43 H new ATOM 0 HA LEU A 67 3.125 -6.387 -5.402 1.00 0.43 H new ATOM 0 HB2 LEU A 67 2.537 -5.360 -3.429 1.00 0.39 H new ATOM 0 HB3 LEU A 67 1.701 -4.452 -4.673 1.00 0.39 H new ATOM 0 HG LEU A 67 0.420 -6.468 -2.754 1.00 0.48 H new ATOM 0 HD11 LEU A 67 -0.642 -4.241 -2.193 1.00 1.66 H new ATOM 0 HD12 LEU A 67 1.129 -4.081 -2.118 1.00 1.66 H new ATOM 0 HD13 LEU A 67 0.241 -3.488 -3.542 1.00 1.66 H new ATOM 0 HD21 LEU A 67 -1.644 -6.021 -3.825 1.00 1.72 H new ATOM 0 HD22 LEU A 67 -0.838 -5.035 -5.068 1.00 1.72 H new ATOM 0 HD23 LEU A 67 -0.514 -6.782 -4.971 1.00 1.72 H new ATOM 997 N ARG A 68 2.566 -8.082 -3.433 1.00 0.45 N ATOM 998 CA ARG A 68 2.509 -9.314 -2.677 1.00 0.47 C ATOM 999 C ARG A 68 2.810 -8.964 -1.220 1.00 0.38 C ATOM 1000 O ARG A 68 3.618 -8.066 -0.970 1.00 0.35 O ATOM 1001 CB ARG A 68 3.541 -10.295 -3.250 1.00 0.54 C ATOM 1002 CG ARG A 68 3.322 -11.710 -2.712 1.00 0.66 C ATOM 1003 CD ARG A 68 2.424 -12.548 -3.636 1.00 1.37 C ATOM 1004 NE ARG A 68 3.208 -13.213 -4.692 1.00 1.93 N ATOM 1005 CZ ARG A 68 3.971 -14.305 -4.507 1.00 2.43 C ATOM 1006 NH1 ARG A 68 4.048 -14.863 -3.292 1.00 3.04 N ATOM 1007 NH2 ARG A 68 4.660 -14.829 -5.527 1.00 3.94 N ATOM 0 H ARG A 68 3.151 -7.369 -2.997 1.00 0.45 H new ATOM 0 HA ARG A 68 1.530 -9.790 -2.739 1.00 0.47 H new ATOM 0 HB2 ARG A 68 3.473 -10.303 -4.338 1.00 0.54 H new ATOM 0 HB3 ARG A 68 4.546 -9.958 -2.996 1.00 0.54 H new ATOM 0 HG2 ARG A 68 4.285 -12.206 -2.596 1.00 0.66 H new ATOM 0 HG3 ARG A 68 2.871 -11.655 -1.721 1.00 0.66 H new ATOM 0 HD2 ARG A 68 1.894 -13.297 -3.048 1.00 1.37 H new ATOM 0 HD3 ARG A 68 1.669 -11.907 -4.091 1.00 1.37 H new ATOM 0 HE ARG A 68 3.169 -12.816 -5.631 1.00 1.93 H new ATOM 0 HH11 ARG A 68 3.529 -14.460 -2.512 1.00 3.04 H new ATOM 0 HH12 ARG A 68 4.625 -15.691 -3.147 1.00 3.04 H new ATOM 0 HH21 ARG A 68 4.608 -14.400 -6.451 1.00 3.94 H new ATOM 0 HH22 ARG A 68 5.237 -15.657 -5.381 1.00 3.94 H new ATOM 1021 N ASP A 69 2.142 -9.654 -0.284 1.00 0.44 N ATOM 1022 CA ASP A 69 2.377 -9.569 1.155 1.00 0.46 C ATOM 1023 C ASP A 69 3.869 -9.606 1.477 1.00 0.42 C ATOM 1024 O ASP A 69 4.582 -10.479 0.977 1.00 0.61 O ATOM 1025 CB ASP A 69 1.622 -10.690 1.872 1.00 0.70 C ATOM 1026 CG ASP A 69 1.869 -10.618 3.374 1.00 1.70 C ATOM 1027 OD1 ASP A 69 2.921 -11.148 3.798 1.00 2.76 O ATOM 1028 OD2 ASP A 69 1.026 -10.002 4.061 1.00 2.61 O ATOM 0 H ASP A 69 1.397 -10.309 -0.523 1.00 0.44 H new ATOM 0 HA ASP A 69 1.998 -8.612 1.514 1.00 0.46 H new ATOM 0 HB2 ASP A 69 0.555 -10.607 1.668 1.00 0.70 H new ATOM 0 HB3 ASP A 69 1.945 -11.658 1.489 1.00 0.70 H new ATOM 1033 N GLU A 70 4.325 -8.652 2.294 1.00 0.42 N ATOM 1034 CA GLU A 70 5.674 -8.624 2.827 1.00 0.53 C ATOM 1035 C GLU A 70 5.614 -8.719 4.354 1.00 0.62 C ATOM 1036 O GLU A 70 6.219 -7.920 5.070 1.00 0.68 O ATOM 1037 CB GLU A 70 6.370 -7.340 2.346 1.00 0.68 C ATOM 1038 CG GLU A 70 7.686 -7.677 1.657 1.00 0.91 C ATOM 1039 CD GLU A 70 8.583 -6.465 1.413 1.00 1.13 C ATOM 1040 OE1 GLU A 70 8.207 -5.349 1.836 1.00 2.16 O ATOM 1041 OE2 GLU A 70 9.654 -6.687 0.812 1.00 1.60 O ATOM 0 H GLU A 70 3.751 -7.868 2.604 1.00 0.42 H new ATOM 0 HA GLU A 70 6.256 -9.473 2.470 1.00 0.53 H new ATOM 0 HB2 GLU A 70 5.719 -6.802 1.657 1.00 0.68 H new ATOM 0 HB3 GLU A 70 6.554 -6.679 3.193 1.00 0.68 H new ATOM 0 HG2 GLU A 70 8.228 -8.402 2.264 1.00 0.91 H new ATOM 0 HG3 GLU A 70 7.473 -8.157 0.702 1.00 0.91 H new