USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=12 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 -160:sc= 0.862 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 168:sc= 1.25 (180deg=0) USER MOD Set 2.1: A 36 GLN : amide:sc= 0.148 K(o=0.63,f=-11!) USER MOD Set 2.2: A 43 LYS NZ :NH3+ 141:sc= 0.482 (180deg=-1.84!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -24:sc= 1.16 USER MOD Single : A 9 LYS NZ :NH3+ -125:sc= 1.09 (180deg=-0.446) USER MOD Single : A 11 SER OG : rot -3:sc= 0.369 USER MOD Single : A 13 MET CE :methyl -146:sc= -0.235 (180deg=-0.332) USER MOD Single : A 18 CYS SG : rot 142:sc= 0.742 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.18 K(o=1.2,f=0) USER MOD Single : A 28 GLN : amide:sc= 0.125 X(o=0.13,f=-0.084) USER MOD Single : A 33 ASN : amide:sc=-0.00497 X(o=-0.005,f=-0.4) USER MOD Single : A 34 GLN : amide:sc= -0.0951 X(o=-0.095,f=-0.094) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.789 K(o=-0.79,f=-0.052) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.8) 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 2.205 -2.947 11.796 1.00 0.39 N ATOM 34 CA ARG A 5 2.927 -2.557 10.601 1.00 0.38 C ATOM 35 C ARG A 5 2.849 -3.716 9.617 1.00 0.27 C ATOM 36 O ARG A 5 3.184 -4.846 9.956 1.00 0.42 O ATOM 37 CB ARG A 5 4.382 -2.211 10.956 1.00 0.63 C ATOM 38 CG ARG A 5 5.227 -1.907 9.707 1.00 0.73 C ATOM 39 CD ARG A 5 5.826 -3.126 8.966 1.00 0.59 C ATOM 40 NE ARG A 5 7.289 -3.234 9.150 1.00 0.81 N ATOM 41 CZ ARG A 5 7.904 -3.759 10.226 1.00 1.60 C ATOM 42 NH1 ARG A 5 7.179 -4.273 11.214 1.00 3.30 N ATOM 43 NH2 ARG A 5 9.238 -3.772 10.320 1.00 1.65 N ATOM 0 HA ARG A 5 2.488 -1.667 10.149 1.00 0.38 H new ATOM 0 HB2 ARG A 5 4.397 -1.348 11.622 1.00 0.63 H new ATOM 0 HB3 ARG A 5 4.829 -3.042 11.502 1.00 0.63 H new ATOM 0 HG2 ARG A 5 4.608 -1.350 9.003 1.00 0.73 H new ATOM 0 HG3 ARG A 5 6.046 -1.250 10.000 1.00 0.73 H new ATOM 0 HD2 ARG A 5 5.349 -4.037 9.327 1.00 0.59 H new ATOM 0 HD3 ARG A 5 5.601 -3.048 7.902 1.00 0.59 H new ATOM 0 HE ARG A 5 7.882 -2.881 8.399 1.00 0.81 H new ATOM 0 HH11 ARG A 5 6.161 -4.269 11.155 1.00 3.30 H new ATOM 0 HH12 ARG A 5 7.641 -4.672 12.031 1.00 3.30 H new ATOM 0 HH21 ARG A 5 9.806 -3.380 9.569 1.00 1.65 H new ATOM 0 HH22 ARG A 5 9.687 -4.174 11.143 1.00 1.65 H new ATOM 57 N TYR A 6 2.438 -3.454 8.385 1.00 0.33 N ATOM 58 CA TYR A 6 2.342 -4.469 7.351 1.00 0.23 C ATOM 59 C TYR A 6 3.002 -3.945 6.093 1.00 0.29 C ATOM 60 O TYR A 6 2.822 -2.770 5.804 1.00 0.72 O ATOM 61 CB TYR A 6 0.869 -4.694 7.056 1.00 0.32 C ATOM 62 CG TYR A 6 -0.010 -4.994 8.241 1.00 0.47 C ATOM 63 CD1 TYR A 6 0.348 -6.000 9.154 1.00 2.07 C ATOM 64 CD2 TYR A 6 -1.292 -4.424 8.285 1.00 1.61 C ATOM 65 CE1 TYR A 6 -0.579 -6.415 10.125 1.00 2.19 C ATOM 66 CE2 TYR A 6 -2.247 -4.908 9.188 1.00 1.61 C ATOM 67 CZ TYR A 6 -1.883 -5.887 10.130 1.00 0.85 C ATOM 68 OH TYR A 6 -2.818 -6.444 10.948 1.00 1.09 O ATOM 0 H TYR A 6 2.160 -2.523 8.074 1.00 0.33 H new ATOM 0 HA TYR A 6 2.823 -5.392 7.673 1.00 0.23 H new ATOM 0 HB2 TYR A 6 0.480 -3.806 6.558 1.00 0.32 H new ATOM 0 HB3 TYR A 6 0.784 -5.519 6.349 1.00 0.32 H new ATOM 0 HD1 TYR A 6 1.328 -6.451 9.110 1.00 2.07 H new ATOM 0 HD2 TYR A 6 -1.543 -3.610 7.621 1.00 1.61 H new ATOM 0 HE1 TYR A 6 -0.290 -7.142 10.870 1.00 2.19 H new ATOM 0 HE2 TYR A 6 -3.259 -4.531 9.161 1.00 1.61 H new ATOM 0 HH TYR A 6 -3.670 -5.971 10.841 1.00 1.09 H new ATOM 78 N SER A 7 3.724 -4.783 5.342 1.00 0.24 N ATOM 79 CA SER A 7 4.371 -4.365 4.101 1.00 0.17 C ATOM 80 C SER A 7 3.797 -5.070 2.875 1.00 0.19 C ATOM 81 O SER A 7 3.233 -6.157 2.966 1.00 0.33 O ATOM 82 CB SER A 7 5.890 -4.610 4.201 1.00 0.37 C ATOM 83 OG SER A 7 6.627 -3.453 3.852 1.00 1.48 O ATOM 0 H SER A 7 3.874 -5.764 5.578 1.00 0.24 H new ATOM 0 HA SER A 7 4.176 -3.301 3.970 1.00 0.17 H new ATOM 0 HB2 SER A 7 6.145 -4.912 5.217 1.00 0.37 H new ATOM 0 HB3 SER A 7 6.171 -5.433 3.544 1.00 0.37 H new ATOM 0 HG SER A 7 6.085 -2.884 3.267 1.00 1.48 H new ATOM 89 N TRP A 8 3.981 -4.442 1.713 1.00 0.18 N ATOM 90 CA TRP A 8 3.807 -5.079 0.420 1.00 0.21 C ATOM 91 C TRP A 8 5.013 -4.724 -0.432 1.00 0.18 C ATOM 92 O TRP A 8 5.485 -3.586 -0.360 1.00 0.19 O ATOM 93 CB TRP A 8 2.510 -4.603 -0.254 1.00 0.25 C ATOM 94 CG TRP A 8 1.306 -4.981 0.543 1.00 0.29 C ATOM 95 CD1 TRP A 8 0.718 -6.189 0.481 1.00 0.47 C ATOM 96 CD2 TRP A 8 0.712 -4.393 1.727 1.00 0.20 C ATOM 97 NE1 TRP A 8 0.175 -6.472 1.728 1.00 0.35 N ATOM 98 CE2 TRP A 8 0.443 -5.440 2.623 1.00 0.27 C ATOM 99 CE3 TRP A 8 0.290 -3.145 2.223 1.00 0.35 C ATOM 100 CZ2 TRP A 8 0.275 -5.074 3.984 1.00 0.39 C ATOM 101 CZ3 TRP A 8 -0.792 -3.200 3.150 1.00 0.43 C ATOM 102 CH2 TRP A 8 -0.638 -4.045 4.228 1.00 0.43 C ATOM 0 H TRP A 8 4.259 -3.463 1.650 1.00 0.18 H new ATOM 0 HA TRP A 8 3.730 -6.160 0.540 1.00 0.21 H new ATOM 0 HB2 TRP A 8 2.540 -3.520 -0.378 1.00 0.25 H new ATOM 0 HB3 TRP A 8 2.437 -5.036 -1.252 1.00 0.25 H new ATOM 0 HD1 TRP A 8 0.675 -6.829 -0.388 1.00 0.47 H new ATOM 0 HE1 TRP A 8 -0.347 -7.318 1.956 1.00 0.35 H new ATOM 0 HE3 TRP A 8 0.751 -2.215 1.924 1.00 0.35 H new ATOM 0 HZ2 TRP A 8 0.819 -5.560 4.781 1.00 0.39 H new ATOM 0 HZ3 TRP A 8 -1.686 -2.610 3.014 1.00 0.43 H new ATOM 0 HH2 TRP A 8 -1.167 -3.924 5.162 1.00 0.43 H new ATOM 113 N LYS A 9 5.489 -5.685 -1.226 1.00 0.22 N ATOM 114 CA LYS A 9 6.548 -5.466 -2.196 1.00 0.25 C ATOM 115 C LYS A 9 5.870 -5.296 -3.544 1.00 0.29 C ATOM 116 O LYS A 9 4.893 -5.996 -3.818 1.00 0.43 O ATOM 117 CB LYS A 9 7.550 -6.626 -2.166 1.00 0.35 C ATOM 118 CG LYS A 9 7.040 -7.946 -2.774 1.00 0.72 C ATOM 119 CD LYS A 9 7.536 -9.104 -1.908 1.00 0.73 C ATOM 120 CE LYS A 9 7.706 -10.450 -2.619 1.00 1.96 C ATOM 121 NZ LYS A 9 7.959 -11.513 -1.623 1.00 2.80 N ATOM 0 H LYS A 9 5.143 -6.644 -1.209 1.00 0.22 H new ATOM 0 HA LYS A 9 7.133 -4.574 -1.971 1.00 0.25 H new ATOM 0 HB2 LYS A 9 8.450 -6.322 -2.700 1.00 0.35 H new ATOM 0 HB3 LYS A 9 7.840 -6.809 -1.131 1.00 0.35 H new ATOM 0 HG2 LYS A 9 5.951 -7.946 -2.819 1.00 0.72 H new ATOM 0 HG3 LYS A 9 7.401 -8.056 -3.797 1.00 0.72 H new ATOM 0 HD2 LYS A 9 8.495 -8.822 -1.473 1.00 0.73 H new ATOM 0 HD3 LYS A 9 6.838 -9.238 -1.081 1.00 0.73 H new ATOM 0 HE2 LYS A 9 6.810 -10.684 -3.194 1.00 1.96 H new ATOM 0 HE3 LYS A 9 8.534 -10.396 -3.326 1.00 1.96 H new ATOM 0 HZ1 LYS A 9 8.840 -12.011 -1.863 1.00 2.80 H new ATOM 0 HZ2 LYS A 9 8.047 -11.089 -0.677 1.00 2.80 H new ATOM 0 HZ3 LYS A 9 7.168 -12.188 -1.627 1.00 2.80 H new ATOM 135 N VAL A 10 6.334 -4.339 -4.344 1.00 0.49 N ATOM 136 CA VAL A 10 5.673 -3.962 -5.588 1.00 0.63 C ATOM 137 C VAL A 10 6.624 -4.091 -6.777 1.00 0.86 C ATOM 138 O VAL A 10 7.801 -4.404 -6.621 1.00 1.88 O ATOM 139 CB VAL A 10 5.036 -2.564 -5.459 1.00 0.82 C ATOM 140 CG1 VAL A 10 4.382 -2.355 -4.083 1.00 1.64 C ATOM 141 CG2 VAL A 10 6.058 -1.448 -5.673 1.00 2.66 C ATOM 0 H VAL A 10 7.179 -3.804 -4.147 1.00 0.49 H new ATOM 0 HA VAL A 10 4.856 -4.657 -5.783 1.00 0.63 H new ATOM 0 HB VAL A 10 4.274 -2.517 -6.237 1.00 0.82 H new ATOM 0 HG11 VAL A 10 3.946 -1.357 -4.035 1.00 1.64 H new ATOM 0 HG12 VAL A 10 3.601 -3.100 -3.935 1.00 1.64 H new ATOM 0 HG13 VAL A 10 5.136 -2.459 -3.302 1.00 1.64 H new ATOM 0 HG21 VAL A 10 5.566 -0.480 -5.573 1.00 2.66 H new ATOM 0 HG22 VAL A 10 6.849 -1.532 -4.928 1.00 2.66 H new ATOM 0 HG23 VAL A 10 6.488 -1.535 -6.671 1.00 2.66 H new ATOM 151 N SER A 11 6.109 -3.849 -7.982 1.00 0.50 N ATOM 152 CA SER A 11 6.895 -3.780 -9.204 1.00 0.49 C ATOM 153 C SER A 11 6.140 -2.875 -10.178 1.00 0.52 C ATOM 154 O SER A 11 5.473 -3.366 -11.085 1.00 0.99 O ATOM 155 CB SER A 11 7.114 -5.191 -9.774 1.00 0.65 C ATOM 156 OG SER A 11 7.754 -6.035 -8.834 1.00 2.07 O ATOM 0 H SER A 11 5.113 -3.693 -8.134 1.00 0.50 H new ATOM 0 HA SER A 11 7.886 -3.365 -9.018 1.00 0.49 H new ATOM 0 HB2 SER A 11 6.155 -5.623 -10.059 1.00 0.65 H new ATOM 0 HB3 SER A 11 7.717 -5.129 -10.680 1.00 0.65 H new ATOM 0 HG SER A 11 7.969 -5.522 -8.027 1.00 2.07 H new ATOM 162 N GLY A 12 6.186 -1.557 -9.951 1.00 0.55 N ATOM 163 CA GLY A 12 5.427 -0.607 -10.759 1.00 0.55 C ATOM 164 C GLY A 12 5.503 0.833 -10.240 1.00 0.69 C ATOM 165 O GLY A 12 5.522 1.771 -11.028 1.00 1.43 O ATOM 0 H GLY A 12 6.743 -1.128 -9.212 1.00 0.55 H new ATOM 0 HA2 GLY A 12 5.798 -0.636 -11.784 1.00 0.55 H new ATOM 0 HA3 GLY A 12 4.383 -0.920 -10.789 1.00 0.55 H new ATOM 169 N MET A 13 5.514 1.031 -8.918 1.00 0.38 N ATOM 170 CA MET A 13 5.629 2.367 -8.337 1.00 0.38 C ATOM 171 C MET A 13 7.030 2.951 -8.556 1.00 0.43 C ATOM 172 O MET A 13 8.018 2.358 -8.123 1.00 0.75 O ATOM 173 CB MET A 13 5.359 2.319 -6.830 1.00 0.45 C ATOM 174 CG MET A 13 3.968 2.792 -6.409 1.00 1.26 C ATOM 175 SD MET A 13 3.911 3.351 -4.684 1.00 2.00 S ATOM 176 CE MET A 13 4.516 1.874 -3.836 1.00 2.01 C ATOM 0 H MET A 13 5.444 0.280 -8.231 1.00 0.38 H new ATOM 0 HA MET A 13 4.892 2.999 -8.833 1.00 0.38 H new ATOM 0 HB2 MET A 13 5.499 1.295 -6.483 1.00 0.45 H new ATOM 0 HB3 MET A 13 6.104 2.932 -6.323 1.00 0.45 H new ATOM 0 HG2 MET A 13 3.653 3.607 -7.061 1.00 1.26 H new ATOM 0 HG3 MET A 13 3.255 1.979 -6.547 1.00 1.26 H new ATOM 0 HE1 MET A 13 4.018 1.779 -2.871 1.00 2.01 H new ATOM 0 HE2 MET A 13 4.303 0.993 -4.442 1.00 2.01 H new ATOM 0 HE3 MET A 13 5.592 1.957 -3.683 1.00 2.01 H new ATOM 186 N ASP A 14 7.098 4.149 -9.142 1.00 0.47 N ATOM 187 CA ASP A 14 8.347 4.794 -9.536 1.00 0.68 C ATOM 188 C ASP A 14 8.328 6.323 -9.378 1.00 0.65 C ATOM 189 O ASP A 14 9.356 6.957 -9.612 1.00 0.70 O ATOM 190 CB ASP A 14 8.651 4.402 -10.991 1.00 0.97 C ATOM 191 CG ASP A 14 7.529 4.800 -11.947 1.00 1.05 C ATOM 192 OD1 ASP A 14 7.070 5.957 -11.847 1.00 1.59 O ATOM 193 OD2 ASP A 14 7.126 3.936 -12.753 1.00 1.32 O ATOM 0 H ASP A 14 6.271 4.705 -9.358 1.00 0.47 H new ATOM 0 HA ASP A 14 9.131 4.445 -8.864 1.00 0.68 H new ATOM 0 HB2 ASP A 14 9.579 4.878 -11.306 1.00 0.97 H new ATOM 0 HB3 ASP A 14 8.809 3.325 -11.049 1.00 0.97 H new ATOM 198 N CYS A 15 7.204 6.918 -8.953 1.00 0.63 N ATOM 199 CA CYS A 15 6.983 8.356 -8.990 1.00 0.55 C ATOM 200 C CYS A 15 6.270 8.781 -7.710 1.00 0.45 C ATOM 201 O CYS A 15 5.499 8.005 -7.147 1.00 0.43 O ATOM 202 CB CYS A 15 6.108 8.754 -10.194 1.00 0.56 C ATOM 203 SG CYS A 15 6.338 7.727 -11.678 1.00 0.74 S ATOM 0 H CYS A 15 6.415 6.398 -8.569 1.00 0.63 H new ATOM 0 HA CYS A 15 7.950 8.850 -9.081 1.00 0.55 H new ATOM 0 HB2 CYS A 15 5.061 8.707 -9.895 1.00 0.56 H new ATOM 0 HB3 CYS A 15 6.319 9.792 -10.451 1.00 0.56 H new ATOM 208 N ALA A 16 6.458 10.036 -7.299 1.00 0.42 N ATOM 209 CA ALA A 16 5.752 10.610 -6.161 1.00 0.38 C ATOM 210 C ALA A 16 4.260 10.770 -6.457 1.00 0.26 C ATOM 211 O ALA A 16 3.436 10.640 -5.559 1.00 0.27 O ATOM 212 CB ALA A 16 6.376 11.962 -5.800 1.00 0.44 C ATOM 0 H ALA A 16 7.107 10.682 -7.750 1.00 0.42 H new ATOM 0 HA ALA A 16 5.848 9.930 -5.314 1.00 0.38 H new ATOM 0 HB1 ALA A 16 5.847 12.391 -4.949 1.00 0.44 H new ATOM 0 HB2 ALA A 16 7.426 11.821 -5.542 1.00 0.44 H new ATOM 0 HB3 ALA A 16 6.299 12.637 -6.652 1.00 0.44 H new ATOM 218 N ALA A 17 3.892 11.059 -7.709 1.00 0.24 N ATOM 219 CA ALA A 17 2.486 11.137 -8.091 1.00 0.21 C ATOM 220 C ALA A 17 1.828 9.766 -7.910 1.00 0.21 C ATOM 221 O ALA A 17 0.802 9.649 -7.238 1.00 0.22 O ATOM 222 CB ALA A 17 2.358 11.639 -9.530 1.00 0.26 C ATOM 0 H ALA A 17 4.547 11.241 -8.469 1.00 0.24 H new ATOM 0 HA ALA A 17 1.969 11.849 -7.447 1.00 0.21 H new ATOM 0 HB1 ALA A 17 1.304 11.693 -9.804 1.00 0.26 H new ATOM 0 HB2 ALA A 17 2.805 12.630 -9.611 1.00 0.26 H new ATOM 0 HB3 ALA A 17 2.873 10.952 -10.202 1.00 0.26 H new ATOM 228 N CYS A 18 2.454 8.735 -8.488 1.00 0.23 N ATOM 229 CA CYS A 18 2.081 7.343 -8.300 1.00 0.26 C ATOM 230 C CYS A 18 1.945 7.071 -6.802 1.00 0.22 C ATOM 231 O CYS A 18 0.871 6.688 -6.345 1.00 0.23 O ATOM 232 CB CYS A 18 3.111 6.416 -8.971 1.00 0.37 C ATOM 233 SG CYS A 18 3.280 6.831 -10.736 1.00 0.56 S ATOM 0 H CYS A 18 3.251 8.856 -9.112 1.00 0.23 H new ATOM 0 HA CYS A 18 1.122 7.139 -8.776 1.00 0.26 H new ATOM 0 HB2 CYS A 18 4.076 6.513 -8.474 1.00 0.37 H new ATOM 0 HB3 CYS A 18 2.800 5.377 -8.863 1.00 0.37 H new ATOM 0 HG CYS A 18 4.524 6.711 -11.093 1.00 0.56 H new ATOM 238 N ALA A 19 3.007 7.336 -6.034 1.00 0.21 N ATOM 239 CA ALA A 19 2.991 7.191 -4.588 1.00 0.23 C ATOM 240 C ALA A 19 1.753 7.838 -3.980 1.00 0.20 C ATOM 241 O ALA A 19 1.020 7.186 -3.246 1.00 0.23 O ATOM 242 CB ALA A 19 4.262 7.778 -3.974 1.00 0.30 C ATOM 0 H ALA A 19 3.901 7.658 -6.406 1.00 0.21 H new ATOM 0 HA ALA A 19 2.956 6.126 -4.360 1.00 0.23 H new ATOM 0 HB1 ALA A 19 4.231 7.660 -2.891 1.00 0.30 H new ATOM 0 HB2 ALA A 19 5.133 7.256 -4.371 1.00 0.30 H new ATOM 0 HB3 ALA A 19 4.330 8.837 -4.222 1.00 0.30 H new ATOM 248 N ARG A 20 1.480 9.106 -4.289 1.00 0.21 N ATOM 249 CA ARG A 20 0.342 9.766 -3.678 1.00 0.24 C ATOM 250 C ARG A 20 -0.968 9.075 -4.054 1.00 0.22 C ATOM 251 O ARG A 20 -1.882 8.948 -3.236 1.00 0.28 O ATOM 252 CB ARG A 20 0.284 11.259 -4.000 1.00 0.33 C ATOM 253 CG ARG A 20 -0.058 11.971 -2.691 1.00 0.97 C ATOM 254 CD ARG A 20 -0.533 13.419 -2.846 1.00 0.95 C ATOM 255 NE ARG A 20 -1.118 13.893 -1.579 1.00 1.88 N ATOM 256 CZ ARG A 20 -0.447 14.039 -0.424 1.00 2.57 C ATOM 257 NH1 ARG A 20 0.889 14.008 -0.421 1.00 3.62 N ATOM 258 NH2 ARG A 20 -1.115 14.237 0.719 1.00 3.50 N ATOM 0 H ARG A 20 2.018 9.677 -4.941 1.00 0.21 H new ATOM 0 HA ARG A 20 0.478 9.681 -2.600 1.00 0.24 H new ATOM 0 HB2 ARG A 20 1.238 11.608 -4.394 1.00 0.33 H new ATOM 0 HB3 ARG A 20 -0.469 11.463 -4.761 1.00 0.33 H new ATOM 0 HG2 ARG A 20 -0.834 11.403 -2.178 1.00 0.97 H new ATOM 0 HG3 ARG A 20 0.822 11.960 -2.048 1.00 0.97 H new ATOM 0 HD2 ARG A 20 0.304 14.057 -3.132 1.00 0.95 H new ATOM 0 HD3 ARG A 20 -1.272 13.485 -3.645 1.00 0.95 H new ATOM 0 HE ARG A 20 -2.110 14.129 -1.579 1.00 1.88 H new ATOM 0 HH11 ARG A 20 1.398 13.874 -1.295 1.00 3.62 H new ATOM 0 HH12 ARG A 20 1.400 14.119 0.455 1.00 3.62 H new ATOM 0 HH21 ARG A 20 -2.134 14.277 0.714 1.00 3.50 H new ATOM 0 HH22 ARG A 20 -0.605 14.348 1.595 1.00 3.50 H new ATOM 272 N LYS A 21 -1.079 8.622 -5.302 1.00 0.20 N ATOM 273 CA LYS A 21 -2.271 7.907 -5.710 1.00 0.25 C ATOM 274 C LYS A 21 -2.392 6.600 -4.922 1.00 0.24 C ATOM 275 O LYS A 21 -3.485 6.247 -4.496 1.00 0.30 O ATOM 276 CB LYS A 21 -2.302 7.693 -7.229 1.00 0.30 C ATOM 277 CG LYS A 21 -3.720 7.988 -7.730 1.00 0.92 C ATOM 278 CD LYS A 21 -3.886 7.612 -9.203 1.00 1.37 C ATOM 279 CE LYS A 21 -5.265 8.078 -9.691 1.00 1.73 C ATOM 280 NZ LYS A 21 -5.590 7.555 -11.035 1.00 2.58 N ATOM 0 H LYS A 21 -0.372 8.737 -6.028 1.00 0.20 H new ATOM 0 HA LYS A 21 -3.147 8.512 -5.476 1.00 0.25 H new ATOM 0 HB2 LYS A 21 -1.582 8.349 -7.719 1.00 0.30 H new ATOM 0 HB3 LYS A 21 -2.019 6.669 -7.474 1.00 0.30 H new ATOM 0 HG2 LYS A 21 -4.441 7.434 -7.129 1.00 0.92 H new ATOM 0 HG3 LYS A 21 -3.941 9.047 -7.597 1.00 0.92 H new ATOM 0 HD2 LYS A 21 -3.100 8.075 -9.800 1.00 1.37 H new ATOM 0 HD3 LYS A 21 -3.788 6.534 -9.329 1.00 1.37 H new ATOM 0 HE2 LYS A 21 -6.027 7.753 -8.983 1.00 1.73 H new ATOM 0 HE3 LYS A 21 -5.292 9.167 -9.711 1.00 1.73 H new ATOM 0 HZ1 LYS A 21 -6.530 7.896 -11.322 1.00 2.58 H new ATOM 0 HZ2 LYS A 21 -4.878 7.885 -11.718 1.00 2.58 H new ATOM 0 HZ3 LYS A 21 -5.591 6.515 -11.012 1.00 2.58 H new ATOM 294 N VAL A 22 -1.278 5.895 -4.711 1.00 0.21 N ATOM 295 CA VAL A 22 -1.241 4.638 -3.980 1.00 0.25 C ATOM 296 C VAL A 22 -1.581 4.871 -2.508 1.00 0.26 C ATOM 297 O VAL A 22 -2.397 4.140 -1.943 1.00 0.40 O ATOM 298 CB VAL A 22 0.135 3.979 -4.180 1.00 0.27 C ATOM 299 CG1 VAL A 22 0.345 2.694 -3.370 1.00 0.40 C ATOM 300 CG2 VAL A 22 0.272 3.584 -5.651 1.00 0.40 C ATOM 0 H VAL A 22 -0.363 6.192 -5.052 1.00 0.21 H new ATOM 0 HA VAL A 22 -1.995 3.952 -4.365 1.00 0.25 H new ATOM 0 HB VAL A 22 0.869 4.713 -3.846 1.00 0.27 H new ATOM 0 HG11 VAL A 22 1.340 2.296 -3.570 1.00 0.40 H new ATOM 0 HG12 VAL A 22 0.250 2.914 -2.307 1.00 0.40 H new ATOM 0 HG13 VAL A 22 -0.405 1.957 -3.656 1.00 0.40 H new ATOM 0 HG21 VAL A 22 1.242 3.115 -5.813 1.00 0.40 H new ATOM 0 HG22 VAL A 22 -0.519 2.882 -5.914 1.00 0.40 H new ATOM 0 HG23 VAL A 22 0.191 4.474 -6.276 1.00 0.40 H new ATOM 310 N GLU A 23 -0.978 5.882 -1.874 1.00 0.19 N ATOM 311 CA GLU A 23 -1.196 6.113 -0.458 1.00 0.23 C ATOM 312 C GLU A 23 -2.674 6.417 -0.256 1.00 0.29 C ATOM 313 O GLU A 23 -3.300 5.895 0.659 1.00 0.37 O ATOM 314 CB GLU A 23 -0.255 7.177 0.143 1.00 0.29 C ATOM 315 CG GLU A 23 -0.675 8.607 -0.206 1.00 0.40 C ATOM 316 CD GLU A 23 0.262 9.696 0.310 1.00 0.56 C ATOM 317 OE1 GLU A 23 1.356 9.336 0.789 1.00 1.72 O ATOM 318 OE2 GLU A 23 -0.143 10.878 0.214 1.00 1.86 O ATOM 0 H GLU A 23 -0.343 6.543 -2.321 1.00 0.19 H new ATOM 0 HA GLU A 23 -0.937 5.214 0.100 1.00 0.23 H new ATOM 0 HB2 GLU A 23 -0.232 7.064 1.227 1.00 0.29 H new ATOM 0 HB3 GLU A 23 0.759 7.003 -0.217 1.00 0.29 H new ATOM 0 HG2 GLU A 23 -0.748 8.694 -1.290 1.00 0.40 H new ATOM 0 HG3 GLU A 23 -1.672 8.786 0.196 1.00 0.40 H new ATOM 325 N ASN A 24 -3.252 7.218 -1.154 1.00 0.32 N ATOM 326 CA ASN A 24 -4.680 7.493 -1.139 1.00 0.46 C ATOM 327 C ASN A 24 -5.505 6.239 -1.434 1.00 0.52 C ATOM 328 O ASN A 24 -6.514 6.004 -0.763 1.00 0.63 O ATOM 329 CB ASN A 24 -5.012 8.640 -2.093 1.00 0.45 C ATOM 330 CG ASN A 24 -4.720 9.973 -1.412 1.00 1.19 C ATOM 331 OD1 ASN A 24 -5.592 10.564 -0.783 1.00 2.27 O ATOM 332 ND2 ASN A 24 -3.478 10.431 -1.486 1.00 2.37 N ATOM 0 H ASN A 24 -2.744 7.688 -1.903 1.00 0.32 H new ATOM 0 HA ASN A 24 -4.954 7.807 -0.132 1.00 0.46 H new ATOM 0 HB2 ASN A 24 -4.423 8.550 -3.005 1.00 0.45 H new ATOM 0 HB3 ASN A 24 -6.061 8.591 -2.385 1.00 0.45 H new ATOM 0 HD21 ASN A 24 -3.225 11.298 -1.012 1.00 2.37 H new ATOM 0 HD22 ASN A 24 -2.775 9.916 -2.017 1.00 2.37 H new ATOM 339 N ALA A 25 -5.100 5.446 -2.432 1.00 0.52 N ATOM 340 CA ALA A 25 -5.773 4.212 -2.833 1.00 0.64 C ATOM 341 C ALA A 25 -5.986 3.294 -1.636 1.00 0.53 C ATOM 342 O ALA A 25 -7.042 2.680 -1.514 1.00 0.57 O ATOM 343 CB ALA A 25 -4.996 3.479 -3.929 1.00 0.76 C ATOM 0 H ALA A 25 -4.275 5.652 -2.995 1.00 0.52 H new ATOM 0 HA ALA A 25 -6.746 4.491 -3.237 1.00 0.64 H new ATOM 0 HB1 ALA A 25 -5.526 2.566 -4.202 1.00 0.76 H new ATOM 0 HB2 ALA A 25 -4.907 4.123 -4.804 1.00 0.76 H new ATOM 0 HB3 ALA A 25 -4.001 3.225 -3.562 1.00 0.76 H new ATOM 349 N VAL A 26 -4.989 3.204 -0.753 1.00 0.44 N ATOM 350 CA VAL A 26 -5.127 2.419 0.463 1.00 0.42 C ATOM 351 C VAL A 26 -5.781 3.239 1.581 1.00 0.39 C ATOM 352 O VAL A 26 -6.664 2.749 2.274 1.00 0.38 O ATOM 353 CB VAL A 26 -3.793 1.779 0.869 1.00 0.54 C ATOM 354 CG1 VAL A 26 -3.183 1.024 -0.314 1.00 1.86 C ATOM 355 CG2 VAL A 26 -2.747 2.753 1.402 1.00 1.51 C ATOM 0 H VAL A 26 -4.085 3.664 -0.861 1.00 0.44 H new ATOM 0 HA VAL A 26 -5.805 1.589 0.264 1.00 0.42 H new ATOM 0 HB VAL A 26 -4.049 1.109 1.690 1.00 0.54 H new ATOM 0 HG11 VAL A 26 -2.237 0.575 -0.011 1.00 1.86 H new ATOM 0 HG12 VAL A 26 -3.868 0.241 -0.638 1.00 1.86 H new ATOM 0 HG13 VAL A 26 -3.008 1.717 -1.137 1.00 1.86 H new ATOM 0 HG21 VAL A 26 -1.840 2.207 1.662 1.00 1.51 H new ATOM 0 HG22 VAL A 26 -2.517 3.495 0.637 1.00 1.51 H new ATOM 0 HG23 VAL A 26 -3.135 3.254 2.289 1.00 1.51 H new ATOM 365 N ARG A 27 -5.379 4.497 1.779 1.00 0.39 N ATOM 366 CA ARG A 27 -5.826 5.280 2.929 1.00 0.41 C ATOM 367 C ARG A 27 -7.350 5.396 2.965 1.00 0.45 C ATOM 368 O ARG A 27 -7.949 5.435 4.035 1.00 0.45 O ATOM 369 CB ARG A 27 -5.154 6.655 2.914 1.00 0.41 C ATOM 370 CG ARG A 27 -5.571 7.521 4.105 1.00 0.46 C ATOM 371 CD ARG A 27 -4.766 8.825 4.106 1.00 0.52 C ATOM 372 NE ARG A 27 -5.330 9.795 5.059 1.00 0.83 N ATOM 373 CZ ARG A 27 -6.422 10.544 4.834 1.00 2.41 C ATOM 374 NH1 ARG A 27 -7.071 10.445 3.668 1.00 3.97 N ATOM 375 NH2 ARG A 27 -6.861 11.387 5.776 1.00 2.57 N ATOM 0 H ARG A 27 -4.743 4.994 1.155 1.00 0.39 H new ATOM 0 HA ARG A 27 -5.529 4.763 3.841 1.00 0.41 H new ATOM 0 HB2 ARG A 27 -4.072 6.527 2.922 1.00 0.41 H new ATOM 0 HB3 ARG A 27 -5.407 7.170 1.987 1.00 0.41 H new ATOM 0 HG2 ARG A 27 -6.637 7.741 4.051 1.00 0.46 H new ATOM 0 HG3 ARG A 27 -5.404 6.979 5.036 1.00 0.46 H new ATOM 0 HD2 ARG A 27 -3.729 8.615 4.367 1.00 0.52 H new ATOM 0 HD3 ARG A 27 -4.762 9.255 3.104 1.00 0.52 H new ATOM 0 HE ARG A 27 -4.857 9.906 5.956 1.00 0.83 H new ATOM 0 HH11 ARG A 27 -6.736 9.801 2.951 1.00 3.97 H new ATOM 0 HH12 ARG A 27 -7.900 11.013 3.496 1.00 3.97 H new ATOM 0 HH21 ARG A 27 -6.366 11.461 6.665 1.00 2.57 H new ATOM 0 HH22 ARG A 27 -7.690 11.956 5.605 1.00 2.57 H new ATOM 389 N GLN A 28 -7.977 5.446 1.789 1.00 0.51 N ATOM 390 CA GLN A 28 -9.424 5.515 1.660 1.00 0.58 C ATOM 391 C GLN A 28 -10.165 4.323 2.284 1.00 0.55 C ATOM 392 O GLN A 28 -11.376 4.414 2.457 1.00 0.61 O ATOM 393 CB GLN A 28 -9.820 5.783 0.208 1.00 0.67 C ATOM 394 CG GLN A 28 -9.482 4.590 -0.677 1.00 0.73 C ATOM 395 CD GLN A 28 -9.538 4.964 -2.153 1.00 0.81 C ATOM 396 OE1 GLN A 28 -10.352 4.451 -2.911 1.00 0.91 O ATOM 397 NE2 GLN A 28 -8.676 5.888 -2.566 1.00 0.95 N ATOM 0 H GLN A 28 -7.486 5.439 0.895 1.00 0.51 H new ATOM 0 HA GLN A 28 -9.756 6.365 2.256 1.00 0.58 H new ATOM 0 HB2 GLN A 28 -10.888 5.992 0.151 1.00 0.67 H new ATOM 0 HB3 GLN A 28 -9.302 6.670 -0.157 1.00 0.67 H new ATOM 0 HG2 GLN A 28 -8.486 4.222 -0.430 1.00 0.73 H new ATOM 0 HG3 GLN A 28 -10.181 3.777 -0.479 1.00 0.73 H new ATOM 0 HE21 GLN A 28 -8.011 6.295 -1.909 1.00 0.95 H new ATOM 0 HE22 GLN A 28 -8.680 6.190 -3.540 1.00 0.95 H new ATOM 406 N LEU A 29 -9.485 3.203 2.569 1.00 0.48 N ATOM 407 CA LEU A 29 -10.128 1.992 3.061 1.00 0.47 C ATOM 408 C LEU A 29 -10.847 2.222 4.398 1.00 0.42 C ATOM 409 O LEU A 29 -12.070 2.324 4.416 1.00 0.42 O ATOM 410 CB LEU A 29 -9.084 0.874 3.159 1.00 0.42 C ATOM 411 CG LEU A 29 -8.532 0.471 1.782 1.00 0.47 C ATOM 412 CD1 LEU A 29 -7.271 -0.366 1.996 1.00 0.46 C ATOM 413 CD2 LEU A 29 -9.572 -0.295 0.963 1.00 0.64 C ATOM 0 H LEU A 29 -8.474 3.119 2.462 1.00 0.48 H new ATOM 0 HA LEU A 29 -10.902 1.694 2.354 1.00 0.47 H new ATOM 0 HB2 LEU A 29 -8.262 1.202 3.796 1.00 0.42 H new ATOM 0 HB3 LEU A 29 -9.531 0.003 3.638 1.00 0.42 H new ATOM 0 HG LEU A 29 -8.288 1.367 1.212 1.00 0.47 H new ATOM 0 HD11 LEU A 29 -6.863 -0.663 1.030 1.00 0.46 H new ATOM 0 HD12 LEU A 29 -6.531 0.223 2.537 1.00 0.46 H new ATOM 0 HD13 LEU A 29 -7.519 -1.256 2.574 1.00 0.46 H new ATOM 0 HD21 LEU A 29 -9.147 -0.564 -0.004 1.00 0.64 H new ATOM 0 HD22 LEU A 29 -9.861 -1.200 1.497 1.00 0.64 H new ATOM 0 HD23 LEU A 29 -10.450 0.333 0.812 1.00 0.64 H new ATOM 425 N ALA A 30 -10.096 2.251 5.509 1.00 0.41 N ATOM 426 CA ALA A 30 -10.589 2.362 6.883 1.00 0.44 C ATOM 427 C ALA A 30 -9.475 2.046 7.894 1.00 0.36 C ATOM 428 O ALA A 30 -8.953 2.944 8.542 1.00 0.34 O ATOM 429 CB ALA A 30 -11.765 1.409 7.106 1.00 0.52 C ATOM 0 H ALA A 30 -9.078 2.195 5.468 1.00 0.41 H new ATOM 0 HA ALA A 30 -10.921 3.389 7.036 1.00 0.44 H new ATOM 0 HB1 ALA A 30 -12.120 1.503 8.132 1.00 0.52 H new ATOM 0 HB2 ALA A 30 -12.572 1.660 6.418 1.00 0.52 H new ATOM 0 HB3 ALA A 30 -11.441 0.384 6.927 1.00 0.52 H new ATOM 435 N GLY A 31 -9.134 0.757 8.037 1.00 0.38 N ATOM 436 CA GLY A 31 -8.173 0.218 9.005 1.00 0.36 C ATOM 437 C GLY A 31 -6.859 0.995 9.085 1.00 0.33 C ATOM 438 O GLY A 31 -6.264 1.114 10.155 1.00 0.37 O ATOM 0 H GLY A 31 -9.542 0.028 7.451 1.00 0.38 H new ATOM 0 HA2 GLY A 31 -8.636 0.207 9.992 1.00 0.36 H new ATOM 0 HA3 GLY A 31 -7.954 -0.817 8.744 1.00 0.36 H new ATOM 442 N VAL A 32 -6.367 1.424 7.920 1.00 0.30 N ATOM 443 CA VAL A 32 -5.084 2.063 7.750 1.00 0.29 C ATOM 444 C VAL A 32 -5.083 3.457 8.372 1.00 0.32 C ATOM 445 O VAL A 32 -5.890 4.308 8.001 1.00 0.42 O ATOM 446 CB VAL A 32 -4.669 2.024 6.276 1.00 0.38 C ATOM 447 CG1 VAL A 32 -5.828 2.219 5.313 1.00 0.40 C ATOM 448 CG2 VAL A 32 -3.598 3.057 5.951 1.00 0.46 C ATOM 0 H VAL A 32 -6.880 1.326 7.044 1.00 0.30 H new ATOM 0 HA VAL A 32 -4.317 1.510 8.293 1.00 0.29 H new ATOM 0 HB VAL A 32 -4.270 1.019 6.137 1.00 0.38 H new ATOM 0 HG11 VAL A 32 -5.460 2.180 4.288 1.00 0.40 H new ATOM 0 HG12 VAL A 32 -6.564 1.429 5.465 1.00 0.40 H new ATOM 0 HG13 VAL A 32 -6.293 3.188 5.495 1.00 0.40 H new ATOM 0 HG21 VAL A 32 -3.337 2.990 4.895 1.00 0.46 H new ATOM 0 HG22 VAL A 32 -3.977 4.055 6.169 1.00 0.46 H new ATOM 0 HG23 VAL A 32 -2.712 2.865 6.556 1.00 0.46 H new ATOM 458 N ASN A 33 -4.153 3.682 9.301 1.00 0.28 N ATOM 459 CA ASN A 33 -4.035 4.920 10.052 1.00 0.39 C ATOM 460 C ASN A 33 -2.935 5.770 9.444 1.00 0.37 C ATOM 461 O ASN A 33 -3.201 6.859 8.939 1.00 0.60 O ATOM 462 CB ASN A 33 -3.738 4.588 11.517 1.00 0.45 C ATOM 463 CG ASN A 33 -4.984 4.001 12.169 1.00 0.83 C ATOM 464 OD1 ASN A 33 -6.050 4.606 12.131 1.00 1.17 O ATOM 465 ND2 ASN A 33 -4.887 2.818 12.755 1.00 1.09 N ATOM 0 H ASN A 33 -3.448 2.989 9.553 1.00 0.28 H new ATOM 0 HA ASN A 33 -4.966 5.485 10.009 1.00 0.39 H new ATOM 0 HB2 ASN A 33 -2.913 3.878 11.580 1.00 0.45 H new ATOM 0 HB3 ASN A 33 -3.426 5.487 12.048 1.00 0.45 H new ATOM 0 HD21 ASN A 33 -5.708 2.393 13.186 1.00 1.09 H new ATOM 0 HD22 ASN A 33 -3.991 2.331 12.776 1.00 1.09 H new ATOM 472 N GLN A 34 -1.699 5.263 9.481 1.00 0.24 N ATOM 473 CA GLN A 34 -0.556 5.927 8.880 1.00 0.26 C ATOM 474 C GLN A 34 -0.099 5.050 7.718 1.00 0.26 C ATOM 475 O GLN A 34 0.450 3.969 7.904 1.00 0.73 O ATOM 476 CB GLN A 34 0.531 6.197 9.934 1.00 0.42 C ATOM 477 CG GLN A 34 1.701 7.039 9.406 1.00 0.46 C ATOM 478 CD GLN A 34 1.299 8.497 9.201 1.00 0.62 C ATOM 479 OE1 GLN A 34 1.272 9.277 10.146 1.00 1.51 O ATOM 480 NE2 GLN A 34 0.978 8.886 7.969 1.00 2.27 N ATOM 0 H GLN A 34 -1.470 4.377 9.932 1.00 0.24 H new ATOM 0 HA GLN A 34 -0.808 6.913 8.491 1.00 0.26 H new ATOM 0 HB2 GLN A 34 0.081 6.708 10.785 1.00 0.42 H new ATOM 0 HB3 GLN A 34 0.915 5.245 10.300 1.00 0.42 H new ATOM 0 HG2 GLN A 34 2.533 6.986 10.108 1.00 0.46 H new ATOM 0 HG3 GLN A 34 2.053 6.622 8.462 1.00 0.46 H new ATOM 0 HE21 GLN A 34 1.008 8.218 7.199 1.00 2.27 H new ATOM 0 HE22 GLN A 34 0.702 9.852 7.795 1.00 2.27 H new ATOM 489 N VAL A 35 -0.372 5.504 6.499 1.00 0.46 N ATOM 490 CA VAL A 35 0.117 4.854 5.300 1.00 0.46 C ATOM 491 C VAL A 35 1.534 5.357 5.013 1.00 0.42 C ATOM 492 O VAL A 35 1.837 6.517 5.293 1.00 0.53 O ATOM 493 CB VAL A 35 -0.860 5.115 4.144 1.00 0.75 C ATOM 494 CG1 VAL A 35 -1.173 6.602 3.913 1.00 1.10 C ATOM 495 CG2 VAL A 35 -0.317 4.502 2.856 1.00 2.14 C ATOM 0 H VAL A 35 -0.939 6.333 6.320 1.00 0.46 H new ATOM 0 HA VAL A 35 0.172 3.773 5.429 1.00 0.46 H new ATOM 0 HB VAL A 35 -1.799 4.643 4.432 1.00 0.75 H new ATOM 0 HG11 VAL A 35 -1.869 6.702 3.080 1.00 1.10 H new ATOM 0 HG12 VAL A 35 -1.620 7.024 4.813 1.00 1.10 H new ATOM 0 HG13 VAL A 35 -0.251 7.136 3.681 1.00 1.10 H new ATOM 0 HG21 VAL A 35 -1.015 4.691 2.041 1.00 2.14 H new ATOM 0 HG22 VAL A 35 0.648 4.950 2.619 1.00 2.14 H new ATOM 0 HG23 VAL A 35 -0.196 3.427 2.988 1.00 2.14 H new ATOM 505 N GLN A 36 2.392 4.495 4.455 1.00 0.37 N ATOM 506 CA GLN A 36 3.716 4.865 3.984 1.00 0.43 C ATOM 507 C GLN A 36 4.067 4.018 2.755 1.00 0.39 C ATOM 508 O GLN A 36 4.579 2.904 2.880 1.00 0.39 O ATOM 509 CB GLN A 36 4.728 4.657 5.112 1.00 0.42 C ATOM 510 CG GLN A 36 6.151 5.056 4.690 1.00 0.54 C ATOM 511 CD GLN A 36 7.174 4.080 5.248 1.00 0.93 C ATOM 512 OE1 GLN A 36 7.967 3.501 4.506 1.00 2.43 O ATOM 513 NE2 GLN A 36 7.139 3.840 6.555 1.00 0.69 N ATOM 0 H GLN A 36 2.175 3.508 4.320 1.00 0.37 H new ATOM 0 HA GLN A 36 3.739 5.916 3.694 1.00 0.43 H new ATOM 0 HB2 GLN A 36 4.429 5.245 5.980 1.00 0.42 H new ATOM 0 HB3 GLN A 36 4.720 3.611 5.417 1.00 0.42 H new ATOM 0 HG2 GLN A 36 6.219 5.079 3.602 1.00 0.54 H new ATOM 0 HG3 GLN A 36 6.371 6.063 5.045 1.00 0.54 H new ATOM 0 HE21 GLN A 36 6.471 4.334 7.147 1.00 0.69 H new ATOM 0 HE22 GLN A 36 7.780 3.161 6.966 1.00 0.69 H new ATOM 522 N VAL A 37 3.855 4.571 1.561 1.00 0.39 N ATOM 523 CA VAL A 37 4.229 3.938 0.311 1.00 0.36 C ATOM 524 C VAL A 37 5.597 4.495 -0.103 1.00 0.35 C ATOM 525 O VAL A 37 5.726 5.681 -0.398 1.00 0.45 O ATOM 526 CB VAL A 37 3.109 4.105 -0.735 1.00 0.56 C ATOM 527 CG1 VAL A 37 1.721 3.945 -0.106 1.00 1.68 C ATOM 528 CG2 VAL A 37 3.124 5.433 -1.483 1.00 1.31 C ATOM 0 H VAL A 37 3.413 5.482 1.441 1.00 0.39 H new ATOM 0 HA VAL A 37 4.339 2.858 0.414 1.00 0.36 H new ATOM 0 HB VAL A 37 3.313 3.313 -1.455 1.00 0.56 H new ATOM 0 HG11 VAL A 37 0.957 4.069 -0.874 1.00 1.68 H new ATOM 0 HG12 VAL A 37 1.634 2.952 0.335 1.00 1.68 H new ATOM 0 HG13 VAL A 37 1.583 4.700 0.668 1.00 1.68 H new ATOM 0 HG21 VAL A 37 2.300 5.458 -2.196 1.00 1.31 H new ATOM 0 HG22 VAL A 37 3.014 6.252 -0.772 1.00 1.31 H new ATOM 0 HG23 VAL A 37 4.069 5.540 -2.016 1.00 1.31 H new ATOM 538 N LEU A 38 6.642 3.663 -0.072 1.00 0.33 N ATOM 539 CA LEU A 38 7.983 4.056 -0.466 1.00 0.34 C ATOM 540 C LEU A 38 8.211 3.557 -1.892 1.00 0.29 C ATOM 541 O LEU A 38 8.790 2.494 -2.134 1.00 0.28 O ATOM 542 CB LEU A 38 9.014 3.539 0.543 1.00 0.38 C ATOM 543 CG LEU A 38 10.440 3.981 0.184 1.00 0.43 C ATOM 544 CD1 LEU A 38 10.622 5.504 0.186 1.00 0.53 C ATOM 545 CD2 LEU A 38 11.437 3.350 1.161 1.00 0.49 C ATOM 0 H LEU A 38 6.572 2.691 0.231 1.00 0.33 H new ATOM 0 HA LEU A 38 8.101 5.140 -0.462 1.00 0.34 H new ATOM 0 HB2 LEU A 38 8.761 3.903 1.539 1.00 0.38 H new ATOM 0 HB3 LEU A 38 8.970 2.451 0.581 1.00 0.38 H new ATOM 0 HG LEU A 38 10.626 3.639 -0.834 1.00 0.43 H new ATOM 0 HD11 LEU A 38 11.652 5.748 -0.076 1.00 0.53 H new ATOM 0 HD12 LEU A 38 9.947 5.952 -0.543 1.00 0.53 H new ATOM 0 HD13 LEU A 38 10.397 5.896 1.178 1.00 0.53 H new ATOM 0 HD21 LEU A 38 12.448 3.666 0.904 1.00 0.49 H new ATOM 0 HD22 LEU A 38 11.204 3.671 2.176 1.00 0.49 H new ATOM 0 HD23 LEU A 38 11.369 2.264 1.099 1.00 0.49 H new ATOM 557 N PHE A 39 7.725 4.357 -2.838 1.00 0.31 N ATOM 558 CA PHE A 39 7.960 4.154 -4.256 1.00 0.31 C ATOM 559 C PHE A 39 9.460 4.163 -4.562 1.00 0.33 C ATOM 560 O PHE A 39 10.265 4.555 -3.715 1.00 0.34 O ATOM 561 CB PHE A 39 7.231 5.250 -5.037 1.00 0.38 C ATOM 562 CG PHE A 39 7.926 6.597 -5.044 1.00 0.35 C ATOM 563 CD1 PHE A 39 7.707 7.538 -4.020 1.00 2.01 C ATOM 564 CD2 PHE A 39 8.784 6.917 -6.109 1.00 1.53 C ATOM 565 CE1 PHE A 39 8.204 8.845 -4.159 1.00 2.18 C ATOM 566 CE2 PHE A 39 9.273 8.222 -6.255 1.00 1.47 C ATOM 567 CZ PHE A 39 8.937 9.198 -5.305 1.00 0.81 C ATOM 0 H PHE A 39 7.150 5.174 -2.633 1.00 0.31 H new ATOM 0 HA PHE A 39 7.574 3.180 -4.557 1.00 0.31 H new ATOM 0 HB2 PHE A 39 7.103 4.918 -6.067 1.00 0.38 H new ATOM 0 HB3 PHE A 39 6.233 5.374 -4.616 1.00 0.38 H new ATOM 0 HD1 PHE A 39 7.160 7.257 -3.132 1.00 2.01 H new ATOM 0 HD2 PHE A 39 9.068 6.154 -6.818 1.00 1.53 H new ATOM 0 HE1 PHE A 39 8.023 9.577 -3.386 1.00 2.18 H new ATOM 0 HE2 PHE A 39 9.905 8.475 -7.094 1.00 1.47 H new ATOM 0 HZ PHE A 39 9.242 10.223 -5.455 1.00 0.81 H new ATOM 577 N ALA A 40 9.832 3.732 -5.772 1.00 0.36 N ATOM 578 CA ALA A 40 11.216 3.603 -6.220 1.00 0.38 C ATOM 579 C ALA A 40 11.904 2.441 -5.503 1.00 0.36 C ATOM 580 O ALA A 40 12.279 1.468 -6.149 1.00 0.54 O ATOM 581 CB ALA A 40 12.003 4.919 -6.112 1.00 0.46 C ATOM 0 H ALA A 40 9.156 3.456 -6.485 1.00 0.36 H new ATOM 0 HA ALA A 40 11.198 3.371 -7.285 1.00 0.38 H new ATOM 0 HB1 ALA A 40 13.024 4.762 -6.459 1.00 0.46 H new ATOM 0 HB2 ALA A 40 11.524 5.681 -6.727 1.00 0.46 H new ATOM 0 HB3 ALA A 40 12.019 5.249 -5.073 1.00 0.46 H new ATOM 587 N THR A 41 11.992 2.486 -4.170 1.00 0.34 N ATOM 588 CA THR A 41 12.491 1.385 -3.345 1.00 0.34 C ATOM 589 C THR A 41 11.380 0.336 -3.159 1.00 0.44 C ATOM 590 O THR A 41 11.088 -0.075 -2.037 1.00 1.15 O ATOM 591 CB THR A 41 13.002 1.930 -1.997 1.00 0.48 C ATOM 592 OG1 THR A 41 13.609 3.202 -2.142 1.00 1.03 O ATOM 593 CG2 THR A 41 14.036 0.987 -1.379 1.00 0.81 C ATOM 0 H THR A 41 11.713 3.303 -3.626 1.00 0.34 H new ATOM 0 HA THR A 41 13.331 0.898 -3.841 1.00 0.34 H new ATOM 0 HB THR A 41 12.129 2.012 -1.350 1.00 0.48 H new ATOM 0 HG1 THR A 41 13.920 3.518 -1.268 1.00 1.03 H new ATOM 0 HG21 THR A 41 14.380 1.396 -0.429 1.00 0.81 H new ATOM 0 HG22 THR A 41 13.583 0.010 -1.211 1.00 0.81 H new ATOM 0 HG23 THR A 41 14.883 0.882 -2.056 1.00 0.81 H new ATOM 601 N GLU A 42 10.743 -0.021 -4.277 1.00 0.56 N ATOM 602 CA GLU A 42 9.652 -0.956 -4.506 1.00 0.49 C ATOM 603 C GLU A 42 8.867 -1.500 -3.294 1.00 0.38 C ATOM 604 O GLU A 42 8.545 -2.693 -3.284 1.00 0.49 O ATOM 605 CB GLU A 42 10.181 -2.076 -5.409 1.00 0.66 C ATOM 606 CG GLU A 42 11.341 -2.847 -4.769 1.00 2.20 C ATOM 607 CD GLU A 42 12.709 -2.314 -5.176 1.00 3.38 C ATOM 608 OE1 GLU A 42 13.116 -2.631 -6.314 1.00 3.80 O ATOM 609 OE2 GLU A 42 13.319 -1.607 -4.344 1.00 4.57 O ATOM 0 H GLU A 42 11.025 0.402 -5.161 1.00 0.56 H new ATOM 0 HA GLU A 42 8.867 -0.366 -4.980 1.00 0.49 H new ATOM 0 HB2 GLU A 42 9.370 -2.768 -5.637 1.00 0.66 H new ATOM 0 HB3 GLU A 42 10.511 -1.649 -6.356 1.00 0.66 H new ATOM 0 HG2 GLU A 42 11.247 -2.799 -3.684 1.00 2.20 H new ATOM 0 HG3 GLU A 42 11.269 -3.898 -5.049 1.00 2.20 H new ATOM 616 N LYS A 43 8.439 -0.674 -2.324 1.00 0.27 N ATOM 617 CA LYS A 43 7.681 -1.215 -1.205 1.00 0.33 C ATOM 618 C LYS A 43 6.721 -0.222 -0.598 1.00 0.31 C ATOM 619 O LYS A 43 6.850 0.992 -0.742 1.00 0.53 O ATOM 620 CB LYS A 43 8.595 -1.839 -0.138 1.00 0.49 C ATOM 621 CG LYS A 43 9.366 -0.883 0.787 1.00 0.98 C ATOM 622 CD LYS A 43 8.536 -0.197 1.887 1.00 0.78 C ATOM 623 CE LYS A 43 9.463 0.279 3.014 1.00 1.50 C ATOM 624 NZ LYS A 43 8.753 1.082 4.029 1.00 2.70 N ATOM 0 H LYS A 43 8.601 0.333 -2.297 1.00 0.27 H new ATOM 0 HA LYS A 43 7.068 -2.013 -1.624 1.00 0.33 H new ATOM 0 HB2 LYS A 43 7.985 -2.492 0.487 1.00 0.49 H new ATOM 0 HB3 LYS A 43 9.321 -2.473 -0.647 1.00 0.49 H new ATOM 0 HG2 LYS A 43 10.173 -1.440 1.262 1.00 0.98 H new ATOM 0 HG3 LYS A 43 9.830 -0.110 0.174 1.00 0.98 H new ATOM 0 HD2 LYS A 43 7.991 0.650 1.470 1.00 0.78 H new ATOM 0 HD3 LYS A 43 7.794 -0.891 2.282 1.00 0.78 H new ATOM 0 HE2 LYS A 43 9.920 -0.586 3.494 1.00 1.50 H new ATOM 0 HE3 LYS A 43 10.273 0.871 2.588 1.00 1.50 H new ATOM 0 HZ1 LYS A 43 9.112 0.842 4.975 1.00 2.70 H new ATOM 0 HZ2 LYS A 43 8.912 2.093 3.845 1.00 2.70 H new ATOM 0 HZ3 LYS A 43 7.734 0.878 3.983 1.00 2.70 H new ATOM 638 N LEU A 44 5.761 -0.757 0.142 1.00 0.23 N ATOM 639 CA LEU A 44 4.775 -0.016 0.848 1.00 0.22 C ATOM 640 C LEU A 44 4.682 -0.682 2.214 1.00 0.21 C ATOM 641 O LEU A 44 4.995 -1.865 2.341 1.00 0.34 O ATOM 642 CB LEU A 44 3.563 -0.091 -0.074 1.00 0.26 C ATOM 643 CG LEU A 44 2.216 -0.368 0.522 1.00 0.36 C ATOM 644 CD1 LEU A 44 1.855 0.565 1.657 1.00 0.50 C ATOM 645 CD2 LEU A 44 1.226 -0.251 -0.621 1.00 0.59 C ATOM 0 H LEU A 44 5.660 -1.765 0.260 1.00 0.23 H new ATOM 0 HA LEU A 44 4.945 1.039 1.062 1.00 0.22 H new ATOM 0 HB2 LEU A 44 3.498 0.856 -0.610 1.00 0.26 H new ATOM 0 HB3 LEU A 44 3.761 -0.865 -0.816 1.00 0.26 H new ATOM 0 HG LEU A 44 2.208 -1.360 0.975 1.00 0.36 H new ATOM 0 HD11 LEU A 44 0.868 0.307 2.040 1.00 0.50 H new ATOM 0 HD12 LEU A 44 2.591 0.469 2.455 1.00 0.50 H new ATOM 0 HD13 LEU A 44 1.846 1.593 1.294 1.00 0.50 H new ATOM 0 HD21 LEU A 44 0.219 -0.443 -0.251 1.00 0.59 H new ATOM 0 HD22 LEU A 44 1.273 0.753 -1.042 1.00 0.59 H new ATOM 0 HD23 LEU A 44 1.474 -0.980 -1.393 1.00 0.59 H new ATOM 657 N VAL A 45 4.356 0.116 3.226 1.00 0.19 N ATOM 658 CA VAL A 45 4.190 -0.153 4.622 1.00 0.19 C ATOM 659 C VAL A 45 2.889 0.560 4.999 1.00 0.18 C ATOM 660 O VAL A 45 2.614 1.671 4.543 1.00 0.20 O ATOM 661 CB VAL A 45 5.403 0.358 5.412 1.00 0.22 C ATOM 662 CG1 VAL A 45 5.021 0.771 6.832 1.00 0.24 C ATOM 663 CG2 VAL A 45 6.432 -0.771 5.475 1.00 0.29 C ATOM 0 H VAL A 45 4.181 1.104 3.040 1.00 0.19 H new ATOM 0 HA VAL A 45 4.129 -1.216 4.853 1.00 0.19 H new ATOM 0 HB VAL A 45 5.806 1.238 4.911 1.00 0.22 H new ATOM 0 HG11 VAL A 45 5.907 1.127 7.358 1.00 0.24 H new ATOM 0 HG12 VAL A 45 4.278 1.568 6.792 1.00 0.24 H new ATOM 0 HG13 VAL A 45 4.605 -0.086 7.361 1.00 0.24 H new ATOM 0 HG21 VAL A 45 7.307 -0.435 6.032 1.00 0.29 H new ATOM 0 HG22 VAL A 45 5.994 -1.635 5.974 1.00 0.29 H new ATOM 0 HG23 VAL A 45 6.730 -1.048 4.464 1.00 0.29 H new ATOM 673 N VAL A 46 2.078 -0.120 5.789 1.00 0.23 N ATOM 674 CA VAL A 46 0.804 0.322 6.299 1.00 0.22 C ATOM 675 C VAL A 46 0.913 0.195 7.804 1.00 0.30 C ATOM 676 O VAL A 46 1.324 -0.872 8.261 1.00 0.52 O ATOM 677 CB VAL A 46 -0.259 -0.636 5.736 1.00 0.54 C ATOM 678 CG1 VAL A 46 -1.440 -0.903 6.668 1.00 0.99 C ATOM 679 CG2 VAL A 46 -0.784 -0.100 4.405 1.00 0.61 C ATOM 0 H VAL A 46 2.313 -1.059 6.110 1.00 0.23 H new ATOM 0 HA VAL A 46 0.538 1.342 6.023 1.00 0.22 H new ATOM 0 HB VAL A 46 0.250 -1.592 5.610 1.00 0.54 H new ATOM 0 HG11 VAL A 46 -2.136 -1.589 6.186 1.00 0.99 H new ATOM 0 HG12 VAL A 46 -1.078 -1.346 7.596 1.00 0.99 H new ATOM 0 HG13 VAL A 46 -1.949 0.035 6.888 1.00 0.99 H new ATOM 0 HG21 VAL A 46 -1.537 -0.782 4.010 1.00 0.61 H new ATOM 0 HG22 VAL A 46 -1.230 0.883 4.559 1.00 0.61 H new ATOM 0 HG23 VAL A 46 0.039 -0.018 3.696 1.00 0.61 H new ATOM 689 N ASP A 47 0.496 1.222 8.545 1.00 0.23 N ATOM 690 CA ASP A 47 0.327 1.133 9.979 1.00 0.31 C ATOM 691 C ASP A 47 -1.182 1.197 10.169 1.00 0.30 C ATOM 692 O ASP A 47 -1.799 2.238 9.910 1.00 0.32 O ATOM 693 CB ASP A 47 1.054 2.277 10.686 1.00 0.38 C ATOM 694 CG ASP A 47 2.580 2.201 10.627 1.00 1.02 C ATOM 695 OD1 ASP A 47 3.120 1.528 9.718 1.00 2.21 O ATOM 696 OD2 ASP A 47 3.197 2.834 11.510 1.00 2.09 O ATOM 0 H ASP A 47 0.268 2.138 8.158 1.00 0.23 H new ATOM 0 HA ASP A 47 0.752 0.226 10.409 1.00 0.31 H new ATOM 0 HB2 ASP A 47 0.734 3.220 10.244 1.00 0.38 H new ATOM 0 HB3 ASP A 47 0.745 2.294 11.731 1.00 0.38 H new ATOM 701 N ALA A 48 -1.780 0.055 10.506 1.00 0.35 N ATOM 702 CA ALA A 48 -3.219 -0.114 10.618 1.00 0.37 C ATOM 703 C ALA A 48 -3.529 -0.686 11.992 1.00 0.61 C ATOM 704 O ALA A 48 -2.796 -1.554 12.468 1.00 1.03 O ATOM 705 CB ALA A 48 -3.715 -1.065 9.523 1.00 0.44 C ATOM 0 H ALA A 48 -1.259 -0.797 10.713 1.00 0.35 H new ATOM 0 HA ALA A 48 -3.723 0.845 10.496 1.00 0.37 H new ATOM 0 HB1 ALA A 48 -4.794 -1.189 9.610 1.00 0.44 H new ATOM 0 HB2 ALA A 48 -3.476 -0.649 8.544 1.00 0.44 H new ATOM 0 HB3 ALA A 48 -3.228 -2.034 9.635 1.00 0.44 H new ATOM 711 N ASP A 49 -4.629 -0.232 12.597 1.00 0.47 N ATOM 712 CA ASP A 49 -5.042 -0.676 13.925 1.00 0.65 C ATOM 713 C ASP A 49 -6.446 -1.261 13.782 1.00 0.63 C ATOM 714 O ASP A 49 -7.389 -0.873 14.467 1.00 0.69 O ATOM 715 CB ASP A 49 -4.989 0.470 14.956 1.00 0.80 C ATOM 716 CG ASP A 49 -3.634 1.163 15.111 1.00 1.53 C ATOM 717 OD1 ASP A 49 -3.014 1.493 14.071 1.00 2.62 O ATOM 718 OD2 ASP A 49 -3.259 1.404 16.277 1.00 2.51 O ATOM 0 H ASP A 49 -5.257 0.454 12.178 1.00 0.47 H new ATOM 0 HA ASP A 49 -4.356 -1.433 14.306 1.00 0.65 H new ATOM 0 HB2 ASP A 49 -5.729 1.219 14.677 1.00 0.80 H new ATOM 0 HB3 ASP A 49 -5.287 0.074 15.927 1.00 0.80 H new ATOM 723 N ASN A 50 -6.555 -2.232 12.876 1.00 0.59 N ATOM 724 CA ASN A 50 -7.709 -3.088 12.663 1.00 0.53 C ATOM 725 C ASN A 50 -7.145 -4.259 11.873 1.00 0.56 C ATOM 726 O ASN A 50 -6.468 -5.105 12.448 1.00 0.95 O ATOM 727 CB ASN A 50 -8.850 -2.333 11.954 1.00 0.57 C ATOM 728 CG ASN A 50 -10.071 -3.216 11.666 1.00 1.59 C ATOM 729 OD1 ASN A 50 -10.933 -3.354 12.526 1.00 2.21 O ATOM 730 ND2 ASN A 50 -10.208 -3.811 10.476 1.00 2.42 N ATOM 0 H ASN A 50 -5.792 -2.451 12.236 1.00 0.59 H new ATOM 0 HA ASN A 50 -8.179 -3.430 13.585 1.00 0.53 H new ATOM 0 HB2 ASN A 50 -9.157 -1.489 12.572 1.00 0.57 H new ATOM 0 HB3 ASN A 50 -8.477 -1.922 11.016 1.00 0.57 H new ATOM 0 HD21 ASN A 50 -11.031 -4.381 10.283 1.00 2.42 H new ATOM 0 HD22 ASN A 50 -9.489 -3.695 9.762 1.00 2.42 H new ATOM 737 N ASP A 51 -7.312 -4.226 10.550 1.00 0.51 N ATOM 738 CA ASP A 51 -6.763 -5.136 9.570 1.00 0.61 C ATOM 739 C ASP A 51 -7.397 -4.766 8.238 1.00 0.52 C ATOM 740 O ASP A 51 -8.617 -4.598 8.187 1.00 0.90 O ATOM 741 CB ASP A 51 -7.091 -6.600 9.875 1.00 0.84 C ATOM 742 CG ASP A 51 -5.938 -7.488 9.432 1.00 1.38 C ATOM 743 OD1 ASP A 51 -5.278 -7.126 8.434 1.00 2.01 O ATOM 744 OD2 ASP A 51 -5.642 -8.484 10.124 1.00 2.30 O ATOM 0 H ASP A 51 -7.881 -3.502 10.112 1.00 0.51 H new ATOM 0 HA ASP A 51 -5.677 -5.046 9.569 1.00 0.61 H new ATOM 0 HB2 ASP A 51 -7.271 -6.727 10.942 1.00 0.84 H new ATOM 0 HB3 ASP A 51 -8.006 -6.892 9.360 1.00 0.84 H new ATOM 749 N ILE A 52 -6.582 -4.571 7.205 1.00 0.37 N ATOM 750 CA ILE A 52 -7.009 -4.138 5.881 1.00 0.31 C ATOM 751 C ILE A 52 -6.031 -4.586 4.798 1.00 0.30 C ATOM 752 O ILE A 52 -6.080 -4.087 3.686 1.00 0.27 O ATOM 753 CB ILE A 52 -7.105 -2.607 5.848 1.00 0.32 C ATOM 754 CG1 ILE A 52 -5.929 -1.920 6.561 1.00 0.34 C ATOM 755 CG2 ILE A 52 -8.419 -2.094 6.398 1.00 0.33 C ATOM 756 CD1 ILE A 52 -4.691 -1.960 5.684 1.00 0.48 C ATOM 0 H ILE A 52 -5.574 -4.715 7.270 1.00 0.37 H new ATOM 0 HA ILE A 52 -7.980 -4.592 5.683 1.00 0.31 H new ATOM 0 HB ILE A 52 -7.055 -2.343 4.792 1.00 0.32 H new ATOM 0 HG12 ILE A 52 -6.187 -0.886 6.792 1.00 0.34 H new ATOM 0 HG13 ILE A 52 -5.728 -2.418 7.510 1.00 0.34 H new ATOM 0 HG21 ILE A 52 -8.433 -1.005 6.351 1.00 0.33 H new ATOM 0 HG22 ILE A 52 -9.242 -2.493 5.806 1.00 0.33 H new ATOM 0 HG23 ILE A 52 -8.529 -2.414 7.434 1.00 0.33 H new ATOM 0 HD11 ILE A 52 -3.864 -1.471 6.199 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -4.426 -2.997 5.476 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -4.892 -1.442 4.747 1.00 0.48 H new ATOM 768 N ARG A 53 -5.111 -5.494 5.092 1.00 0.52 N ATOM 769 CA ARG A 53 -3.982 -5.778 4.193 1.00 0.42 C ATOM 770 C ARG A 53 -4.507 -6.356 2.894 1.00 0.30 C ATOM 771 O ARG A 53 -4.230 -5.850 1.812 1.00 0.22 O ATOM 772 CB ARG A 53 -2.945 -6.734 4.802 1.00 0.51 C ATOM 773 CG ARG A 53 -3.182 -6.873 6.292 1.00 0.57 C ATOM 774 CD ARG A 53 -2.139 -7.694 7.012 1.00 1.00 C ATOM 775 NE ARG A 53 -2.832 -8.282 8.182 1.00 1.37 N ATOM 776 CZ ARG A 53 -2.358 -9.071 9.153 1.00 2.13 C ATOM 777 NH1 ARG A 53 -1.088 -9.478 9.115 1.00 2.80 N ATOM 778 NH2 ARG A 53 -3.158 -9.437 10.159 1.00 2.54 N ATOM 0 H ARG A 53 -5.117 -6.052 5.946 1.00 0.52 H new ATOM 0 HA ARG A 53 -3.470 -4.832 4.017 1.00 0.42 H new ATOM 0 HB2 ARG A 53 -3.012 -7.710 4.322 1.00 0.51 H new ATOM 0 HB3 ARG A 53 -1.939 -6.357 4.619 1.00 0.51 H new ATOM 0 HG2 ARG A 53 -3.216 -5.879 6.737 1.00 0.57 H new ATOM 0 HG3 ARG A 53 -4.160 -7.328 6.452 1.00 0.57 H new ATOM 0 HD2 ARG A 53 -1.736 -8.472 6.363 1.00 1.00 H new ATOM 0 HD3 ARG A 53 -1.299 -7.074 7.325 1.00 1.00 H new ATOM 0 HE ARG A 53 -3.822 -8.050 8.259 1.00 1.37 H new ATOM 0 HH11 ARG A 53 -0.482 -9.188 8.348 1.00 2.80 H new ATOM 0 HH12 ARG A 53 -0.723 -10.080 9.853 1.00 2.80 H new ATOM 0 HH21 ARG A 53 -4.125 -9.115 10.184 1.00 2.54 H new ATOM 0 HH22 ARG A 53 -2.801 -10.038 10.902 1.00 2.54 H new ATOM 792 N ALA A 54 -5.358 -7.371 3.044 1.00 0.37 N ATOM 793 CA ALA A 54 -6.037 -7.986 1.924 1.00 0.34 C ATOM 794 C ALA A 54 -6.864 -6.951 1.145 1.00 0.29 C ATOM 795 O ALA A 54 -7.112 -7.100 -0.048 1.00 0.42 O ATOM 796 CB ALA A 54 -6.862 -9.166 2.424 1.00 0.43 C ATOM 0 H ALA A 54 -5.590 -7.783 3.948 1.00 0.37 H new ATOM 0 HA ALA A 54 -5.308 -8.374 1.213 1.00 0.34 H new ATOM 0 HB1 ALA A 54 -7.376 -9.633 1.584 1.00 0.43 H new ATOM 0 HB2 ALA A 54 -6.204 -9.895 2.898 1.00 0.43 H new ATOM 0 HB3 ALA A 54 -7.597 -8.815 3.149 1.00 0.43 H new ATOM 802 N GLN A 55 -7.264 -5.872 1.824 1.00 0.29 N ATOM 803 CA GLN A 55 -7.950 -4.727 1.255 1.00 0.24 C ATOM 804 C GLN A 55 -6.962 -3.831 0.486 1.00 0.20 C ATOM 805 O GLN A 55 -7.239 -3.464 -0.654 1.00 0.22 O ATOM 806 CB GLN A 55 -8.712 -4.013 2.385 1.00 0.42 C ATOM 807 CG GLN A 55 -10.228 -3.971 2.180 1.00 0.67 C ATOM 808 CD GLN A 55 -10.911 -3.412 3.426 1.00 1.52 C ATOM 809 OE1 GLN A 55 -11.322 -2.258 3.460 1.00 3.08 O ATOM 810 NE2 GLN A 55 -11.017 -4.220 4.478 1.00 1.05 N ATOM 0 H GLN A 55 -7.108 -5.777 2.827 1.00 0.29 H new ATOM 0 HA GLN A 55 -8.685 -5.032 0.510 1.00 0.24 H new ATOM 0 HB2 GLN A 55 -8.497 -4.514 3.329 1.00 0.42 H new ATOM 0 HB3 GLN A 55 -8.339 -2.993 2.474 1.00 0.42 H new ATOM 0 HG2 GLN A 55 -10.469 -3.352 1.315 1.00 0.67 H new ATOM 0 HG3 GLN A 55 -10.602 -4.973 1.969 1.00 0.67 H new ATOM 0 HE21 GLN A 55 -10.667 -5.176 4.424 1.00 1.05 H new ATOM 0 HE22 GLN A 55 -11.448 -3.883 5.339 1.00 1.05 H new ATOM 819 N VAL A 56 -5.803 -3.509 1.073 1.00 0.20 N ATOM 820 CA VAL A 56 -4.720 -2.754 0.448 1.00 0.22 C ATOM 821 C VAL A 56 -4.367 -3.388 -0.882 1.00 0.17 C ATOM 822 O VAL A 56 -4.369 -2.730 -1.919 1.00 0.21 O ATOM 823 CB VAL A 56 -3.476 -2.698 1.326 1.00 0.30 C ATOM 824 CG1 VAL A 56 -2.242 -2.238 0.529 1.00 0.44 C ATOM 825 CG2 VAL A 56 -3.721 -1.767 2.510 1.00 0.44 C ATOM 0 H VAL A 56 -5.590 -3.779 2.033 1.00 0.20 H new ATOM 0 HA VAL A 56 -5.070 -1.732 0.304 1.00 0.22 H new ATOM 0 HB VAL A 56 -3.274 -3.704 1.693 1.00 0.30 H new ATOM 0 HG11 VAL A 56 -1.374 -2.210 1.187 1.00 0.44 H new ATOM 0 HG12 VAL A 56 -2.056 -2.935 -0.288 1.00 0.44 H new ATOM 0 HG13 VAL A 56 -2.422 -1.243 0.123 1.00 0.44 H new ATOM 0 HG21 VAL A 56 -2.829 -1.730 3.135 1.00 0.44 H new ATOM 0 HG22 VAL A 56 -3.949 -0.766 2.144 1.00 0.44 H new ATOM 0 HG23 VAL A 56 -4.560 -2.139 3.098 1.00 0.44 H new ATOM 835 N GLU A 57 -4.020 -4.669 -0.832 1.00 0.19 N ATOM 836 CA GLU A 57 -3.554 -5.363 -2.009 1.00 0.27 C ATOM 837 C GLU A 57 -4.633 -5.378 -3.081 1.00 0.29 C ATOM 838 O GLU A 57 -4.349 -5.064 -4.235 1.00 0.32 O ATOM 839 CB GLU A 57 -3.019 -6.732 -1.613 1.00 0.37 C ATOM 840 CG GLU A 57 -4.016 -7.664 -0.948 1.00 0.75 C ATOM 841 CD GLU A 57 -3.282 -8.806 -0.254 1.00 1.55 C ATOM 842 OE1 GLU A 57 -2.440 -8.489 0.617 1.00 2.94 O ATOM 843 OE2 GLU A 57 -3.590 -9.963 -0.602 1.00 2.16 O ATOM 0 H GLU A 57 -4.055 -5.240 0.012 1.00 0.19 H new ATOM 0 HA GLU A 57 -2.716 -4.836 -2.465 1.00 0.27 H new ATOM 0 HB2 GLU A 57 -2.632 -7.222 -2.506 1.00 0.37 H new ATOM 0 HB3 GLU A 57 -2.176 -6.590 -0.937 1.00 0.37 H new ATOM 0 HG2 GLU A 57 -4.614 -7.112 -0.223 1.00 0.75 H new ATOM 0 HG3 GLU A 57 -4.705 -8.063 -1.692 1.00 0.75 H new ATOM 850 N SER A 58 -5.885 -5.638 -2.690 1.00 0.35 N ATOM 851 CA SER A 58 -7.011 -5.435 -3.587 1.00 0.45 C ATOM 852 C SER A 58 -6.970 -4.021 -4.176 1.00 0.44 C ATOM 853 O SER A 58 -7.095 -3.855 -5.384 1.00 0.49 O ATOM 854 CB SER A 58 -8.353 -5.692 -2.880 1.00 0.58 C ATOM 855 OG SER A 58 -9.190 -6.493 -3.698 1.00 0.84 O ATOM 0 H SER A 58 -6.136 -5.986 -1.765 1.00 0.35 H new ATOM 0 HA SER A 58 -6.928 -6.158 -4.399 1.00 0.45 H new ATOM 0 HB2 SER A 58 -8.181 -6.190 -1.926 1.00 0.58 H new ATOM 0 HB3 SER A 58 -8.845 -4.744 -2.661 1.00 0.58 H new ATOM 0 HG SER A 58 -10.121 -6.393 -3.410 1.00 0.84 H new ATOM 861 N ALA A 59 -6.805 -3.001 -3.335 1.00 0.41 N ATOM 862 CA ALA A 59 -6.914 -1.608 -3.760 1.00 0.45 C ATOM 863 C ALA A 59 -5.848 -1.286 -4.806 1.00 0.39 C ATOM 864 O ALA A 59 -6.149 -0.768 -5.879 1.00 0.41 O ATOM 865 CB ALA A 59 -6.830 -0.659 -2.559 1.00 0.47 C ATOM 0 H ALA A 59 -6.593 -3.117 -2.344 1.00 0.41 H new ATOM 0 HA ALA A 59 -7.891 -1.462 -4.220 1.00 0.45 H new ATOM 0 HB1 ALA A 59 -6.914 0.372 -2.903 1.00 0.47 H new ATOM 0 HB2 ALA A 59 -7.642 -0.877 -1.865 1.00 0.47 H new ATOM 0 HB3 ALA A 59 -5.874 -0.796 -2.053 1.00 0.47 H new ATOM 871 N LEU A 60 -4.599 -1.629 -4.506 1.00 0.32 N ATOM 872 CA LEU A 60 -3.485 -1.485 -5.429 1.00 0.26 C ATOM 873 C LEU A 60 -3.717 -2.288 -6.702 1.00 0.28 C ATOM 874 O LEU A 60 -3.438 -1.810 -7.798 1.00 0.29 O ATOM 875 CB LEU A 60 -2.194 -1.931 -4.743 1.00 0.19 C ATOM 876 CG LEU A 60 -1.371 -0.718 -4.299 1.00 0.31 C ATOM 877 CD1 LEU A 60 -2.160 0.173 -3.331 1.00 0.49 C ATOM 878 CD2 LEU A 60 -0.093 -1.195 -3.623 1.00 0.41 C ATOM 0 H LEU A 60 -4.332 -2.020 -3.602 1.00 0.32 H new ATOM 0 HA LEU A 60 -3.400 -0.436 -5.712 1.00 0.26 H new ATOM 0 HB2 LEU A 60 -2.431 -2.552 -3.879 1.00 0.19 H new ATOM 0 HB3 LEU A 60 -1.607 -2.545 -5.426 1.00 0.19 H new ATOM 0 HG LEU A 60 -1.132 -0.127 -5.183 1.00 0.31 H new ATOM 0 HD11 LEU A 60 -1.546 1.024 -3.037 1.00 0.49 H new ATOM 0 HD12 LEU A 60 -3.065 0.531 -3.822 1.00 0.49 H new ATOM 0 HD13 LEU A 60 -2.431 -0.402 -2.446 1.00 0.49 H new ATOM 0 HD21 LEU A 60 0.494 -0.333 -3.306 1.00 0.41 H new ATOM 0 HD22 LEU A 60 -0.346 -1.801 -2.753 1.00 0.41 H new ATOM 0 HD23 LEU A 60 0.489 -1.792 -4.325 1.00 0.41 H new ATOM 890 N GLN A 61 -4.225 -3.509 -6.572 1.00 0.35 N ATOM 891 CA GLN A 61 -4.529 -4.349 -7.711 1.00 0.44 C ATOM 892 C GLN A 61 -5.602 -3.702 -8.592 1.00 0.51 C ATOM 893 O GLN A 61 -5.491 -3.741 -9.814 1.00 0.53 O ATOM 894 CB GLN A 61 -4.885 -5.743 -7.197 1.00 0.48 C ATOM 895 CG GLN A 61 -5.118 -6.738 -8.330 1.00 0.67 C ATOM 896 CD GLN A 61 -5.078 -8.161 -7.792 1.00 1.12 C ATOM 897 OE1 GLN A 61 -6.115 -8.776 -7.567 1.00 1.61 O ATOM 898 NE2 GLN A 61 -3.875 -8.683 -7.563 1.00 1.37 N ATOM 0 H GLN A 61 -4.435 -3.939 -5.671 1.00 0.35 H new ATOM 0 HA GLN A 61 -3.664 -4.457 -8.366 1.00 0.44 H new ATOM 0 HB2 GLN A 61 -4.082 -6.107 -6.556 1.00 0.48 H new ATOM 0 HB3 GLN A 61 -5.782 -5.682 -6.580 1.00 0.48 H new ATOM 0 HG2 GLN A 61 -6.082 -6.546 -8.801 1.00 0.67 H new ATOM 0 HG3 GLN A 61 -4.356 -6.610 -9.099 1.00 0.67 H new ATOM 0 HE21 GLN A 61 -3.036 -8.138 -7.764 1.00 1.37 H new ATOM 0 HE22 GLN A 61 -3.792 -9.627 -7.187 1.00 1.37 H new ATOM 907 N LYS A 62 -6.615 -3.073 -7.988 1.00 0.57 N ATOM 908 CA LYS A 62 -7.604 -2.298 -8.733 1.00 0.67 C ATOM 909 C LYS A 62 -6.929 -1.093 -9.401 1.00 0.62 C ATOM 910 O LYS A 62 -7.174 -0.822 -10.574 1.00 0.68 O ATOM 911 CB LYS A 62 -8.776 -1.846 -7.839 1.00 0.87 C ATOM 912 CG LYS A 62 -9.933 -2.858 -7.760 1.00 1.03 C ATOM 913 CD LYS A 62 -9.597 -4.060 -6.874 1.00 1.47 C ATOM 914 CE LYS A 62 -10.741 -5.078 -6.819 1.00 2.17 C ATOM 915 NZ LYS A 62 -10.349 -6.293 -6.073 1.00 3.61 N ATOM 0 H LYS A 62 -6.769 -3.088 -6.980 1.00 0.57 H new ATOM 0 HA LYS A 62 -8.024 -2.944 -9.504 1.00 0.67 H new ATOM 0 HB2 LYS A 62 -8.401 -1.660 -6.833 1.00 0.87 H new ATOM 0 HB3 LYS A 62 -9.161 -0.898 -8.215 1.00 0.87 H new ATOM 0 HG2 LYS A 62 -10.821 -2.360 -7.371 1.00 1.03 H new ATOM 0 HG3 LYS A 62 -10.176 -3.207 -8.764 1.00 1.03 H new ATOM 0 HD2 LYS A 62 -8.698 -4.547 -7.251 1.00 1.47 H new ATOM 0 HD3 LYS A 62 -9.373 -3.714 -5.865 1.00 1.47 H new ATOM 0 HE2 LYS A 62 -11.611 -4.624 -6.345 1.00 2.17 H new ATOM 0 HE3 LYS A 62 -11.036 -5.351 -7.832 1.00 2.17 H new ATOM 0 HZ1 LYS A 62 -11.193 -6.868 -5.878 1.00 3.61 H new ATOM 0 HZ2 LYS A 62 -9.676 -6.847 -6.640 1.00 3.61 H new ATOM 0 HZ3 LYS A 62 -9.902 -6.020 -5.175 1.00 3.61 H new ATOM 929 N ALA A 63 -6.092 -0.363 -8.660 1.00 0.55 N ATOM 930 CA ALA A 63 -5.373 0.794 -9.183 1.00 0.56 C ATOM 931 C ALA A 63 -4.460 0.406 -10.354 1.00 0.49 C ATOM 932 O ALA A 63 -4.301 1.186 -11.291 1.00 0.58 O ATOM 933 CB ALA A 63 -4.590 1.478 -8.061 1.00 0.56 C ATOM 0 H ALA A 63 -5.896 -0.561 -7.679 1.00 0.55 H new ATOM 0 HA ALA A 63 -6.102 1.504 -9.573 1.00 0.56 H new ATOM 0 HB1 ALA A 63 -4.057 2.340 -8.462 1.00 0.56 H new ATOM 0 HB2 ALA A 63 -5.280 1.807 -7.284 1.00 0.56 H new ATOM 0 HB3 ALA A 63 -3.874 0.775 -7.636 1.00 0.56 H new ATOM 939 N GLY A 64 -3.878 -0.795 -10.294 1.00 0.38 N ATOM 940 CA GLY A 64 -3.154 -1.434 -11.383 1.00 0.37 C ATOM 941 C GLY A 64 -1.704 -1.755 -11.020 1.00 0.34 C ATOM 942 O GLY A 64 -0.822 -1.615 -11.863 1.00 0.47 O ATOM 0 H GLY A 64 -3.902 -1.367 -9.450 1.00 0.38 H new ATOM 0 HA2 GLY A 64 -3.666 -2.354 -11.663 1.00 0.37 H new ATOM 0 HA3 GLY A 64 -3.170 -0.782 -12.256 1.00 0.37 H new ATOM 946 N TYR A 65 -1.446 -2.205 -9.785 1.00 0.26 N ATOM 947 CA TYR A 65 -0.138 -2.650 -9.335 1.00 0.26 C ATOM 948 C TYR A 65 -0.186 -4.142 -9.014 1.00 0.34 C ATOM 949 O TYR A 65 -1.193 -4.645 -8.522 1.00 0.82 O ATOM 950 CB TYR A 65 0.256 -1.855 -8.095 1.00 0.28 C ATOM 951 CG TYR A 65 0.398 -0.368 -8.336 1.00 0.35 C ATOM 952 CD1 TYR A 65 1.591 0.153 -8.868 1.00 2.04 C ATOM 953 CD2 TYR A 65 -0.696 0.486 -8.105 1.00 1.64 C ATOM 954 CE1 TYR A 65 1.706 1.533 -9.116 1.00 2.10 C ATOM 955 CE2 TYR A 65 -0.590 1.859 -8.379 1.00 1.64 C ATOM 956 CZ TYR A 65 0.622 2.386 -8.857 1.00 0.59 C ATOM 957 OH TYR A 65 0.770 3.731 -9.017 1.00 0.75 O ATOM 0 H TYR A 65 -2.162 -2.268 -9.062 1.00 0.26 H new ATOM 0 HA TYR A 65 0.601 -2.486 -10.119 1.00 0.26 H new ATOM 0 HB2 TYR A 65 -0.492 -2.017 -7.319 1.00 0.28 H new ATOM 0 HB3 TYR A 65 1.200 -2.242 -7.713 1.00 0.28 H new ATOM 0 HD1 TYR A 65 2.418 -0.506 -9.086 1.00 2.04 H new ATOM 0 HD2 TYR A 65 -1.620 0.084 -7.716 1.00 1.64 H new ATOM 0 HE1 TYR A 65 2.629 1.936 -9.506 1.00 2.10 H new ATOM 0 HE2 TYR A 65 -1.438 2.509 -8.223 1.00 1.64 H new ATOM 0 HH TYR A 65 -0.073 4.181 -8.799 1.00 0.75 H new ATOM 967 N SER A 66 0.918 -4.845 -9.269 1.00 0.51 N ATOM 968 CA SER A 66 1.038 -6.282 -9.081 1.00 0.60 C ATOM 969 C SER A 66 1.955 -6.518 -7.886 1.00 0.62 C ATOM 970 O SER A 66 3.071 -7.012 -8.041 1.00 0.87 O ATOM 971 CB SER A 66 1.569 -6.922 -10.369 1.00 0.82 C ATOM 972 OG SER A 66 1.382 -8.323 -10.344 1.00 2.12 O ATOM 0 H SER A 66 1.773 -4.415 -9.621 1.00 0.51 H new ATOM 0 HA SER A 66 0.073 -6.746 -8.874 1.00 0.60 H new ATOM 0 HB2 SER A 66 1.055 -6.497 -11.231 1.00 0.82 H new ATOM 0 HB3 SER A 66 2.628 -6.693 -10.485 1.00 0.82 H new ATOM 0 HG SER A 66 1.725 -8.714 -11.175 1.00 2.12 H new ATOM 978 N LEU A 67 1.485 -6.133 -6.700 1.00 0.45 N ATOM 979 CA LEU A 67 2.262 -6.277 -5.477 1.00 0.49 C ATOM 980 C LEU A 67 2.176 -7.694 -4.926 1.00 0.42 C ATOM 981 O LEU A 67 1.532 -8.562 -5.515 1.00 0.45 O ATOM 982 CB LEU A 67 1.894 -5.203 -4.440 1.00 0.54 C ATOM 983 CG LEU A 67 0.426 -5.105 -4.033 1.00 0.91 C ATOM 984 CD1 LEU A 67 -0.186 -6.436 -3.662 1.00 2.02 C ATOM 985 CD2 LEU A 67 0.289 -4.228 -2.791 1.00 1.94 C ATOM 0 H LEU A 67 0.564 -5.717 -6.564 1.00 0.45 H new ATOM 0 HA LEU A 67 3.310 -6.109 -5.725 1.00 0.49 H new ATOM 0 HB2 LEU A 67 2.483 -5.385 -3.541 1.00 0.54 H new ATOM 0 HB3 LEU A 67 2.202 -4.234 -4.833 1.00 0.54 H new ATOM 0 HG LEU A 67 -0.087 -4.698 -4.904 1.00 0.91 H new ATOM 0 HD11 LEU A 67 -1.230 -6.292 -3.384 1.00 2.02 H new ATOM 0 HD12 LEU A 67 -0.128 -7.113 -4.514 1.00 2.02 H new ATOM 0 HD13 LEU A 67 0.358 -6.865 -2.820 1.00 2.02 H new ATOM 0 HD21 LEU A 67 -0.761 -4.162 -2.506 1.00 1.94 H new ATOM 0 HD22 LEU A 67 0.861 -4.665 -1.972 1.00 1.94 H new ATOM 0 HD23 LEU A 67 0.670 -3.230 -3.007 1.00 1.94 H new ATOM 997 N ARG A 68 2.828 -7.923 -3.787 1.00 0.37 N ATOM 998 CA ARG A 68 2.696 -9.166 -3.060 1.00 0.40 C ATOM 999 C ARG A 68 2.768 -8.873 -1.568 1.00 0.42 C ATOM 1000 O ARG A 68 3.516 -7.985 -1.149 1.00 0.41 O ATOM 1001 CB ARG A 68 3.782 -10.138 -3.520 1.00 0.44 C ATOM 1002 CG ARG A 68 3.485 -11.584 -3.110 1.00 0.61 C ATOM 1003 CD ARG A 68 3.813 -12.511 -4.287 1.00 1.23 C ATOM 1004 NE ARG A 68 3.692 -13.929 -3.918 1.00 1.71 N ATOM 1005 CZ ARG A 68 4.004 -14.946 -4.738 1.00 2.63 C ATOM 1006 NH1 ARG A 68 4.369 -14.691 -6.000 1.00 3.33 N ATOM 1007 NH2 ARG A 68 3.957 -16.208 -4.295 1.00 3.44 N ATOM 0 H ARG A 68 3.458 -7.250 -3.351 1.00 0.37 H new ATOM 0 HA ARG A 68 1.734 -9.637 -3.260 1.00 0.40 H new ATOM 0 HB2 ARG A 68 3.879 -10.083 -4.604 1.00 0.44 H new ATOM 0 HB3 ARG A 68 4.740 -9.834 -3.099 1.00 0.44 H new ATOM 0 HG2 ARG A 68 4.078 -11.858 -2.238 1.00 0.61 H new ATOM 0 HG3 ARG A 68 2.437 -11.688 -2.828 1.00 0.61 H new ATOM 0 HD2 ARG A 68 3.142 -12.294 -5.118 1.00 1.23 H new ATOM 0 HD3 ARG A 68 4.827 -12.312 -4.635 1.00 1.23 H new ATOM 0 HE ARG A 68 3.351 -14.154 -2.983 1.00 1.71 H new ATOM 0 HH11 ARG A 68 4.409 -13.728 -6.335 1.00 3.33 H new ATOM 0 HH12 ARG A 68 4.607 -15.459 -6.627 1.00 3.33 H new ATOM 0 HH21 ARG A 68 3.683 -16.400 -3.331 1.00 3.44 H new ATOM 0 HH22 ARG A 68 4.195 -16.977 -4.921 1.00 3.44 H new ATOM 1021 N ASP A 69 1.958 -9.608 -0.808 1.00 0.58 N ATOM 1022 CA ASP A 69 1.823 -9.528 0.630 1.00 0.80 C ATOM 1023 C ASP A 69 3.148 -9.807 1.328 1.00 0.84 C ATOM 1024 O ASP A 69 3.725 -10.882 1.173 1.00 1.06 O ATOM 1025 CB ASP A 69 0.691 -10.456 1.083 1.00 1.18 C ATOM 1026 CG ASP A 69 1.036 -11.927 0.912 1.00 2.53 C ATOM 1027 OD1 ASP A 69 1.238 -12.330 -0.258 1.00 4.12 O ATOM 1028 OD2 ASP A 69 1.093 -12.603 1.964 1.00 2.92 O ATOM 0 H ASP A 69 1.345 -10.316 -1.213 1.00 0.58 H new ATOM 0 HA ASP A 69 1.553 -8.512 0.919 1.00 0.80 H new ATOM 0 HB2 ASP A 69 0.463 -10.260 2.131 1.00 1.18 H new ATOM 0 HB3 ASP A 69 -0.210 -10.229 0.513 1.00 1.18 H new ATOM 1033 N GLU A 70 3.623 -8.826 2.103 1.00 0.82 N ATOM 1034 CA GLU A 70 4.676 -9.022 3.079 1.00 1.05 C ATOM 1035 C GLU A 70 4.276 -8.344 4.385 1.00 1.34 C ATOM 1036 O GLU A 70 4.942 -7.433 4.887 1.00 1.34 O ATOM 1037 CB GLU A 70 6.048 -8.592 2.548 1.00 1.08 C ATOM 1038 CG GLU A 70 6.634 -9.738 1.705 1.00 2.00 C ATOM 1039 CD GLU A 70 8.044 -9.483 1.196 1.00 2.67 C ATOM 1040 OE1 GLU A 70 8.509 -8.332 1.307 1.00 2.41 O ATOM 1041 OE2 GLU A 70 8.601 -10.442 0.612 1.00 4.02 O ATOM 0 H GLU A 70 3.277 -7.867 2.062 1.00 0.82 H new ATOM 0 HA GLU A 70 4.792 -10.087 3.281 1.00 1.05 H new ATOM 0 HB2 GLU A 70 5.953 -7.689 1.944 1.00 1.08 H new ATOM 0 HB3 GLU A 70 6.715 -8.353 3.376 1.00 1.08 H new ATOM 0 HG2 GLU A 70 6.636 -10.649 2.303 1.00 2.00 H new ATOM 0 HG3 GLU A 70 5.979 -9.918 0.852 1.00 2.00 H new