USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 523 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 180:sc= 1.07 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 179:sc= 1.2 (180deg=0) USER MOD Set 2.1: A 33 ASN : amide:sc= 1.49 K(o=2.6,f=-2.2) USER MOD Set 2.2: A 34 GLN : amide:sc= 1.15 K(o=2.6,f=0.55) USER MOD Single : A 4 THR OG1 : rot 35:sc= 0.289 USER MOD Single : A 6 TYR OH : rot 180:sc= -0.0861 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0923 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 153:sc= -0.0483 (180deg=-0.259) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.0938 USER MOD Single : A 18 CYS SG : rot 66:sc= -0.0851 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0.921 K(o=0.92,f=-0.083) USER MOD Single : A 28 GLN :FLIP amide:sc=-0.00856 F(o=-0.64,f=-0.0086) USER MOD Single : A 36 GLN : amide:sc= 1.4 K(o=1.4,f=-5.5!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0266 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.807 K(o=-0.81,f=-3.2!) USER MOD Single : A 55 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.5!) USER MOD Single : A 61 GLN : amide:sc=-1.71e-05 X(o=-1.7e-05,f=0) USER MOD Single : A 65 TYR OH : rot -104:sc= 1.2 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.0413 K(o=0.041,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -4.719 3.965 -12.447 1.00 0.69 N ATOM 20 CA THR A 4 -5.283 2.673 -12.085 1.00 0.53 C ATOM 21 C THR A 4 -5.174 2.404 -10.598 1.00 0.54 C ATOM 22 O THR A 4 -4.253 2.868 -9.930 1.00 0.65 O ATOM 23 CB THR A 4 -4.624 1.573 -12.920 1.00 0.48 C ATOM 24 OG1 THR A 4 -4.797 1.950 -14.255 1.00 0.88 O ATOM 25 CG2 THR A 4 -5.303 0.209 -12.767 1.00 0.73 C ATOM 0 HA THR A 4 -6.350 2.683 -12.309 1.00 0.53 H new ATOM 0 HB THR A 4 -3.587 1.471 -12.599 1.00 0.48 H new ATOM 0 HG1 THR A 4 -4.738 2.925 -14.330 1.00 0.88 H new ATOM 0 HG21 THR A 4 -4.787 -0.526 -13.385 1.00 0.73 H new ATOM 0 HG22 THR A 4 -5.263 -0.102 -11.723 1.00 0.73 H new ATOM 0 HG23 THR A 4 -6.343 0.283 -13.084 1.00 0.73 H new ATOM 33 N ARG A 5 -6.150 1.633 -10.124 1.00 0.44 N ATOM 34 CA ARG A 5 -6.344 1.247 -8.752 1.00 0.40 C ATOM 35 C ARG A 5 -5.790 -0.155 -8.536 1.00 0.37 C ATOM 36 O ARG A 5 -6.275 -1.106 -9.147 1.00 0.55 O ATOM 37 CB ARG A 5 -7.848 1.237 -8.489 1.00 0.51 C ATOM 38 CG ARG A 5 -8.112 0.627 -7.116 1.00 0.79 C ATOM 39 CD ARG A 5 -9.597 0.635 -6.813 1.00 0.95 C ATOM 40 NE ARG A 5 -9.998 1.899 -6.169 1.00 1.49 N ATOM 41 CZ ARG A 5 -11.206 2.095 -5.620 1.00 2.23 C ATOM 42 NH1 ARG A 5 -12.186 1.220 -5.881 1.00 2.40 N ATOM 43 NH2 ARG A 5 -11.438 3.129 -4.803 1.00 3.44 N ATOM 0 H ARG A 5 -6.865 1.243 -10.737 1.00 0.44 H new ATOM 0 HA ARG A 5 -5.834 1.938 -8.081 1.00 0.40 H new ATOM 0 HB2 ARG A 5 -8.244 2.252 -8.532 1.00 0.51 H new ATOM 0 HB3 ARG A 5 -8.361 0.662 -9.260 1.00 0.51 H new ATOM 0 HG2 ARG A 5 -7.733 -0.395 -7.086 1.00 0.79 H new ATOM 0 HG3 ARG A 5 -7.575 1.189 -6.352 1.00 0.79 H new ATOM 0 HD2 ARG A 5 -10.161 0.498 -7.736 1.00 0.95 H new ATOM 0 HD3 ARG A 5 -9.843 -0.203 -6.161 1.00 0.95 H new ATOM 0 HE ARG A 5 -9.323 2.663 -6.139 1.00 1.49 H new ATOM 0 HH11 ARG A 5 -12.007 0.420 -6.489 1.00 2.40 H new ATOM 0 HH12 ARG A 5 -13.111 1.353 -5.472 1.00 2.40 H new ATOM 0 HH21 ARG A 5 -10.689 3.787 -4.587 1.00 3.44 H new ATOM 0 HH22 ARG A 5 -12.364 3.260 -4.396 1.00 3.44 H new ATOM 57 N TYR A 6 -4.824 -0.288 -7.634 1.00 0.38 N ATOM 58 CA TYR A 6 -4.278 -1.564 -7.210 1.00 0.37 C ATOM 59 C TYR A 6 -4.466 -1.860 -5.723 1.00 0.51 C ATOM 60 O TYR A 6 -3.993 -1.092 -4.890 1.00 0.92 O ATOM 61 CB TYR A 6 -2.811 -1.493 -7.552 1.00 0.44 C ATOM 62 CG TYR A 6 -2.588 -1.096 -8.999 1.00 0.53 C ATOM 63 CD1 TYR A 6 -3.227 -1.815 -10.026 1.00 2.25 C ATOM 64 CD2 TYR A 6 -1.890 0.082 -9.313 1.00 1.59 C ATOM 65 CE1 TYR A 6 -2.957 -1.516 -11.364 1.00 2.42 C ATOM 66 CE2 TYR A 6 -1.682 0.422 -10.656 1.00 1.50 C ATOM 67 CZ TYR A 6 -2.102 -0.445 -11.677 1.00 0.93 C ATOM 68 OH TYR A 6 -1.798 -0.166 -12.975 1.00 1.18 O ATOM 0 H TYR A 6 -4.391 0.510 -7.169 1.00 0.38 H new ATOM 0 HA TYR A 6 -4.803 -2.376 -7.714 1.00 0.37 H new ATOM 0 HB2 TYR A 6 -2.320 -0.773 -6.898 1.00 0.44 H new ATOM 0 HB3 TYR A 6 -2.347 -2.461 -7.365 1.00 0.44 H new ATOM 0 HD1 TYR A 6 -3.927 -2.599 -9.780 1.00 2.25 H new ATOM 0 HD2 TYR A 6 -1.517 0.720 -8.526 1.00 1.59 H new ATOM 0 HE1 TYR A 6 -3.402 -2.104 -12.153 1.00 2.42 H new ATOM 0 HE2 TYR A 6 -1.197 1.354 -10.907 1.00 1.50 H new ATOM 0 HH TYR A 6 -1.196 0.606 -13.011 1.00 1.18 H new ATOM 78 N SER A 7 -5.095 -2.990 -5.378 1.00 0.34 N ATOM 79 CA SER A 7 -5.351 -3.350 -3.987 1.00 0.39 C ATOM 80 C SER A 7 -4.329 -4.349 -3.442 1.00 0.38 C ATOM 81 O SER A 7 -3.671 -5.071 -4.203 1.00 0.42 O ATOM 82 CB SER A 7 -6.795 -3.868 -3.863 1.00 0.46 C ATOM 83 OG SER A 7 -7.705 -2.988 -4.502 1.00 1.82 O ATOM 0 H SER A 7 -5.437 -3.673 -6.054 1.00 0.34 H new ATOM 0 HA SER A 7 -5.238 -2.460 -3.368 1.00 0.39 H new ATOM 0 HB2 SER A 7 -6.869 -4.860 -4.308 1.00 0.46 H new ATOM 0 HB3 SER A 7 -7.060 -3.970 -2.811 1.00 0.46 H new ATOM 0 HG SER A 7 -8.616 -3.338 -4.412 1.00 1.82 H new ATOM 89 N TRP A 8 -4.206 -4.356 -2.109 1.00 0.33 N ATOM 90 CA TRP A 8 -3.516 -5.376 -1.335 1.00 0.39 C ATOM 91 C TRP A 8 -4.307 -5.707 -0.083 1.00 0.38 C ATOM 92 O TRP A 8 -5.089 -4.898 0.418 1.00 0.42 O ATOM 93 CB TRP A 8 -2.064 -5.025 -0.984 1.00 0.40 C ATOM 94 CG TRP A 8 -1.216 -4.903 -2.181 1.00 0.57 C ATOM 95 CD1 TRP A 8 -0.701 -5.986 -2.821 1.00 1.18 C ATOM 96 CD2 TRP A 8 -0.939 -3.759 -3.041 1.00 0.78 C ATOM 97 NE1 TRP A 8 -0.307 -5.622 -4.083 1.00 2.06 N ATOM 98 CE2 TRP A 8 -0.705 -4.343 -4.300 1.00 2.09 C ATOM 99 CE3 TRP A 8 -0.946 -2.311 -3.084 1.00 1.52 C ATOM 100 CZ2 TRP A 8 -0.642 -3.480 -5.342 1.00 2.60 C ATOM 101 CZ3 TRP A 8 -0.171 -1.674 -4.144 1.00 1.70 C ATOM 102 CH2 TRP A 8 0.352 -2.582 -5.006 1.00 1.37 C ATOM 0 H TRP A 8 -4.602 -3.620 -1.525 1.00 0.33 H new ATOM 0 HA TRP A 8 -3.455 -6.254 -1.978 1.00 0.39 H new ATOM 0 HB2 TRP A 8 -2.043 -4.087 -0.429 1.00 0.40 H new ATOM 0 HB3 TRP A 8 -1.655 -5.793 -0.328 1.00 0.40 H new ATOM 0 HD1 TRP A 8 -0.616 -6.977 -2.401 1.00 1.18 H new ATOM 0 HE1 TRP A 8 0.198 -6.211 -4.745 1.00 2.06 H new ATOM 0 HE3 TRP A 8 -1.500 -1.728 -2.363 1.00 1.52 H new ATOM 0 HZ2 TRP A 8 -1.240 -3.492 -6.241 1.00 2.60 H new ATOM 0 HZ3 TRP A 8 -0.030 -0.607 -4.232 1.00 1.70 H new ATOM 0 HH2 TRP A 8 1.370 -2.599 -5.367 1.00 1.37 H new ATOM 113 N LYS A 9 -4.031 -6.911 0.408 1.00 0.35 N ATOM 114 CA LYS A 9 -4.616 -7.537 1.568 1.00 0.34 C ATOM 115 C LYS A 9 -3.470 -7.649 2.565 1.00 0.44 C ATOM 116 O LYS A 9 -2.655 -8.565 2.456 1.00 0.72 O ATOM 117 CB LYS A 9 -5.205 -8.897 1.144 1.00 0.43 C ATOM 118 CG LYS A 9 -4.351 -9.681 0.119 1.00 1.61 C ATOM 119 CD LYS A 9 -5.067 -10.919 -0.428 1.00 1.30 C ATOM 120 CE LYS A 9 -5.160 -12.047 0.606 1.00 1.85 C ATOM 121 NZ LYS A 9 -6.107 -13.096 0.175 1.00 2.53 N ATOM 0 H LYS A 9 -3.338 -7.513 -0.036 1.00 0.35 H new ATOM 0 HA LYS A 9 -5.440 -6.983 2.019 1.00 0.34 H new ATOM 0 HB2 LYS A 9 -5.337 -9.513 2.033 1.00 0.43 H new ATOM 0 HB3 LYS A 9 -6.196 -8.732 0.720 1.00 0.43 H new ATOM 0 HG2 LYS A 9 -4.091 -9.022 -0.709 1.00 1.61 H new ATOM 0 HG3 LYS A 9 -3.416 -9.986 0.590 1.00 1.61 H new ATOM 0 HD2 LYS A 9 -6.071 -10.642 -0.750 1.00 1.30 H new ATOM 0 HD3 LYS A 9 -4.538 -11.281 -1.310 1.00 1.30 H new ATOM 0 HE2 LYS A 9 -4.174 -12.485 0.758 1.00 1.85 H new ATOM 0 HE3 LYS A 9 -5.479 -11.638 1.565 1.00 1.85 H new ATOM 0 HZ1 LYS A 9 -6.147 -13.845 0.896 1.00 2.53 H new ATOM 0 HZ2 LYS A 9 -7.053 -12.681 0.053 1.00 2.53 H new ATOM 0 HZ3 LYS A 9 -5.788 -13.502 -0.728 1.00 2.53 H new ATOM 135 N VAL A 10 -3.348 -6.673 3.465 1.00 0.35 N ATOM 136 CA VAL A 10 -2.155 -6.513 4.278 1.00 0.40 C ATOM 137 C VAL A 10 -2.391 -7.198 5.622 1.00 0.49 C ATOM 138 O VAL A 10 -3.534 -7.433 6.006 1.00 0.97 O ATOM 139 CB VAL A 10 -1.833 -5.011 4.386 1.00 0.47 C ATOM 140 CG1 VAL A 10 -0.452 -4.729 4.976 1.00 0.61 C ATOM 141 CG2 VAL A 10 -1.826 -4.375 2.995 1.00 0.47 C ATOM 0 H VAL A 10 -4.072 -5.978 3.646 1.00 0.35 H new ATOM 0 HA VAL A 10 -1.281 -6.988 3.833 1.00 0.40 H new ATOM 0 HB VAL A 10 -2.602 -4.598 5.039 1.00 0.47 H new ATOM 0 HG11 VAL A 10 -0.290 -3.652 5.024 1.00 0.61 H new ATOM 0 HG12 VAL A 10 -0.392 -5.150 5.980 1.00 0.61 H new ATOM 0 HG13 VAL A 10 0.313 -5.183 4.346 1.00 0.61 H new ATOM 0 HG21 VAL A 10 -1.597 -3.313 3.082 1.00 0.47 H new ATOM 0 HG22 VAL A 10 -1.070 -4.860 2.377 1.00 0.47 H new ATOM 0 HG23 VAL A 10 -2.806 -4.499 2.533 1.00 0.47 H new ATOM 151 N SER A 11 -1.307 -7.603 6.283 1.00 0.34 N ATOM 152 CA SER A 11 -1.358 -8.252 7.581 1.00 0.41 C ATOM 153 C SER A 11 -0.193 -7.707 8.403 1.00 0.50 C ATOM 154 O SER A 11 0.954 -8.098 8.193 1.00 0.65 O ATOM 155 CB SER A 11 -1.320 -9.777 7.406 1.00 0.50 C ATOM 156 OG SER A 11 -1.838 -10.422 8.553 1.00 1.08 O ATOM 0 H SER A 11 -0.360 -7.486 5.923 1.00 0.34 H new ATOM 0 HA SER A 11 -2.287 -8.039 8.110 1.00 0.41 H new ATOM 0 HB2 SER A 11 -1.900 -10.062 6.528 1.00 0.50 H new ATOM 0 HB3 SER A 11 -0.295 -10.103 7.230 1.00 0.50 H new ATOM 0 HG SER A 11 -1.808 -11.393 8.424 1.00 1.08 H new ATOM 162 N GLY A 12 -0.494 -6.754 9.282 1.00 0.56 N ATOM 163 CA GLY A 12 0.444 -6.092 10.174 1.00 0.73 C ATOM 164 C GLY A 12 0.115 -4.621 10.461 1.00 0.73 C ATOM 165 O GLY A 12 0.740 -4.047 11.351 1.00 1.15 O ATOM 0 H GLY A 12 -1.447 -6.408 9.394 1.00 0.56 H new ATOM 0 HA2 GLY A 12 0.474 -6.636 11.118 1.00 0.73 H new ATOM 0 HA3 GLY A 12 1.442 -6.151 9.740 1.00 0.73 H new ATOM 169 N MET A 13 -0.807 -3.982 9.725 1.00 0.50 N ATOM 170 CA MET A 13 -1.161 -2.580 9.930 1.00 0.56 C ATOM 171 C MET A 13 -2.499 -2.462 10.686 1.00 0.69 C ATOM 172 O MET A 13 -3.563 -2.607 10.093 1.00 1.13 O ATOM 173 CB MET A 13 -1.109 -1.824 8.582 1.00 0.61 C ATOM 174 CG MET A 13 -2.272 -2.114 7.622 1.00 1.24 C ATOM 175 SD MET A 13 -2.102 -1.495 5.934 1.00 1.83 S ATOM 176 CE MET A 13 -3.798 -1.708 5.354 1.00 2.01 C ATOM 0 H MET A 13 -1.326 -4.430 8.970 1.00 0.50 H new ATOM 0 HA MET A 13 -0.429 -2.093 10.574 1.00 0.56 H new ATOM 0 HB2 MET A 13 -1.086 -0.753 8.785 1.00 0.61 H new ATOM 0 HB3 MET A 13 -0.174 -2.074 8.080 1.00 0.61 H new ATOM 0 HG2 MET A 13 -2.414 -3.194 7.576 1.00 1.24 H new ATOM 0 HG3 MET A 13 -3.181 -1.691 8.050 1.00 1.24 H new ATOM 0 HE1 MET A 13 -4.007 -0.983 4.567 1.00 2.01 H new ATOM 0 HE2 MET A 13 -3.924 -2.717 4.961 1.00 2.01 H new ATOM 0 HE3 MET A 13 -4.488 -1.552 6.183 1.00 2.01 H new ATOM 186 N ASP A 14 -2.471 -2.163 11.988 1.00 0.74 N ATOM 187 CA ASP A 14 -3.670 -2.065 12.827 1.00 0.86 C ATOM 188 C ASP A 14 -3.637 -0.884 13.814 1.00 1.18 C ATOM 189 O ASP A 14 -4.550 -0.742 14.625 1.00 2.30 O ATOM 190 CB ASP A 14 -3.812 -3.385 13.599 1.00 1.13 C ATOM 191 CG ASP A 14 -2.707 -3.573 14.635 1.00 3.07 C ATOM 192 OD1 ASP A 14 -1.648 -2.922 14.469 1.00 4.43 O ATOM 193 OD2 ASP A 14 -2.939 -4.365 15.572 1.00 4.18 O ATOM 0 H ASP A 14 -1.605 -1.980 12.495 1.00 0.74 H new ATOM 0 HA ASP A 14 -4.523 -1.883 12.173 1.00 0.86 H new ATOM 0 HB2 ASP A 14 -4.781 -3.410 14.097 1.00 1.13 H new ATOM 0 HB3 ASP A 14 -3.793 -4.218 12.896 1.00 1.13 H new ATOM 198 N CYS A 15 -2.594 -0.049 13.764 1.00 0.59 N ATOM 199 CA CYS A 15 -2.268 0.924 14.806 1.00 0.63 C ATOM 200 C CYS A 15 -2.514 2.369 14.356 1.00 0.85 C ATOM 201 O CYS A 15 -3.613 2.887 14.529 1.00 2.22 O ATOM 202 CB CYS A 15 -0.831 0.689 15.283 1.00 0.63 C ATOM 203 SG CYS A 15 -0.434 1.898 16.568 1.00 1.65 S ATOM 0 H CYS A 15 -1.941 -0.032 12.981 1.00 0.59 H new ATOM 0 HA CYS A 15 -2.941 0.774 15.650 1.00 0.63 H new ATOM 0 HB2 CYS A 15 -0.724 -0.323 15.672 1.00 0.63 H new ATOM 0 HB3 CYS A 15 -0.137 0.785 14.448 1.00 0.63 H new ATOM 0 HG CYS A 15 0.783 1.707 16.983 1.00 1.65 H new ATOM 209 N ALA A 16 -1.502 3.037 13.780 1.00 0.83 N ATOM 210 CA ALA A 16 -1.568 4.432 13.350 1.00 0.81 C ATOM 211 C ALA A 16 -0.264 4.810 12.647 1.00 1.04 C ATOM 212 O ALA A 16 -0.240 5.103 11.453 1.00 2.13 O ATOM 213 CB ALA A 16 -1.825 5.370 14.539 1.00 1.07 C ATOM 0 H ALA A 16 -0.595 2.606 13.598 1.00 0.83 H new ATOM 0 HA ALA A 16 -2.401 4.542 12.656 1.00 0.81 H new ATOM 0 HB1 ALA A 16 -1.869 6.401 14.187 1.00 1.07 H new ATOM 0 HB2 ALA A 16 -2.772 5.108 15.011 1.00 1.07 H new ATOM 0 HB3 ALA A 16 -1.017 5.268 15.264 1.00 1.07 H new ATOM 219 N ALA A 17 0.848 4.759 13.383 1.00 0.66 N ATOM 220 CA ALA A 17 2.172 5.030 12.833 1.00 0.64 C ATOM 221 C ALA A 17 2.457 4.151 11.611 1.00 0.52 C ATOM 222 O ALA A 17 3.112 4.582 10.664 1.00 0.56 O ATOM 223 CB ALA A 17 3.227 4.802 13.920 1.00 0.89 C ATOM 0 H ALA A 17 0.853 4.528 14.377 1.00 0.66 H new ATOM 0 HA ALA A 17 2.209 6.068 12.503 1.00 0.64 H new ATOM 0 HB1 ALA A 17 4.218 5.003 13.513 1.00 0.89 H new ATOM 0 HB2 ALA A 17 3.036 5.472 14.759 1.00 0.89 H new ATOM 0 HB3 ALA A 17 3.179 3.768 14.263 1.00 0.89 H new ATOM 229 N CYS A 18 1.942 2.921 11.637 1.00 0.45 N ATOM 230 CA CYS A 18 2.086 1.928 10.593 1.00 0.41 C ATOM 231 C CYS A 18 1.290 2.358 9.365 1.00 0.34 C ATOM 232 O CYS A 18 1.734 2.156 8.234 1.00 0.34 O ATOM 233 CB CYS A 18 1.624 0.563 11.118 1.00 0.48 C ATOM 234 SG CYS A 18 -0.142 0.599 11.481 1.00 2.88 S ATOM 0 H CYS A 18 1.390 2.583 12.425 1.00 0.45 H new ATOM 0 HA CYS A 18 3.132 1.840 10.300 1.00 0.41 H new ATOM 0 HB2 CYS A 18 1.835 -0.209 10.378 1.00 0.48 H new ATOM 0 HB3 CYS A 18 2.182 0.304 12.018 1.00 0.48 H new ATOM 0 HG CYS A 18 -0.808 0.768 10.378 1.00 2.88 H new ATOM 240 N ALA A 19 0.124 2.980 9.580 1.00 0.38 N ATOM 241 CA ALA A 19 -0.682 3.483 8.488 1.00 0.41 C ATOM 242 C ALA A 19 0.085 4.597 7.794 1.00 0.38 C ATOM 243 O ALA A 19 0.174 4.625 6.568 1.00 0.47 O ATOM 244 CB ALA A 19 -2.070 3.941 8.951 1.00 0.50 C ATOM 0 H ALA A 19 -0.273 3.142 10.506 1.00 0.38 H new ATOM 0 HA ALA A 19 -0.866 2.675 7.780 1.00 0.41 H new ATOM 0 HB1 ALA A 19 -2.636 4.310 8.095 1.00 0.50 H new ATOM 0 HB2 ALA A 19 -2.599 3.101 9.401 1.00 0.50 H new ATOM 0 HB3 ALA A 19 -1.963 4.739 9.686 1.00 0.50 H new ATOM 250 N ARG A 20 0.711 5.483 8.575 1.00 0.33 N ATOM 251 CA ARG A 20 1.563 6.474 7.979 1.00 0.39 C ATOM 252 C ARG A 20 2.694 5.788 7.220 1.00 0.36 C ATOM 253 O ARG A 20 2.919 6.079 6.053 1.00 0.40 O ATOM 254 CB ARG A 20 2.048 7.530 8.955 1.00 0.45 C ATOM 255 CG ARG A 20 0.867 8.193 9.686 1.00 0.61 C ATOM 256 CD ARG A 20 1.312 8.982 10.921 1.00 0.86 C ATOM 257 NE ARG A 20 0.136 9.359 11.725 1.00 1.30 N ATOM 258 CZ ARG A 20 0.113 9.538 13.057 1.00 2.20 C ATOM 259 NH1 ARG A 20 1.256 9.540 13.753 1.00 3.16 N ATOM 260 NH2 ARG A 20 -1.054 9.708 13.690 1.00 2.83 N ATOM 0 H ARG A 20 0.638 5.523 9.592 1.00 0.33 H new ATOM 0 HA ARG A 20 0.966 7.040 7.264 1.00 0.39 H new ATOM 0 HB2 ARG A 20 2.721 7.076 9.682 1.00 0.45 H new ATOM 0 HB3 ARG A 20 2.621 8.288 8.421 1.00 0.45 H new ATOM 0 HG2 ARG A 20 0.347 8.861 8.999 1.00 0.61 H new ATOM 0 HG3 ARG A 20 0.153 7.426 9.986 1.00 0.61 H new ATOM 0 HD2 ARG A 20 1.996 8.381 11.520 1.00 0.86 H new ATOM 0 HD3 ARG A 20 1.857 9.876 10.616 1.00 0.86 H new ATOM 0 HE ARG A 20 -0.742 9.497 11.224 1.00 1.30 H new ATOM 0 HH11 ARG A 20 2.146 9.406 13.273 1.00 3.16 H new ATOM 0 HH12 ARG A 20 1.237 9.676 14.764 1.00 3.16 H new ATOM 0 HH21 ARG A 20 -1.926 9.702 13.162 1.00 2.83 H new ATOM 0 HH22 ARG A 20 -1.071 9.844 14.701 1.00 2.83 H new ATOM 274 N LYS A 21 3.398 4.848 7.844 1.00 0.30 N ATOM 275 CA LYS A 21 4.450 4.124 7.147 1.00 0.30 C ATOM 276 C LYS A 21 3.964 3.541 5.811 1.00 0.28 C ATOM 277 O LYS A 21 4.682 3.673 4.826 1.00 0.32 O ATOM 278 CB LYS A 21 5.081 3.076 8.067 1.00 0.37 C ATOM 279 CG LYS A 21 6.374 3.576 8.731 1.00 0.74 C ATOM 280 CD LYS A 21 6.130 4.677 9.772 1.00 1.24 C ATOM 281 CE LYS A 21 7.464 5.263 10.257 1.00 2.23 C ATOM 282 NZ LYS A 21 7.282 6.242 11.349 1.00 3.50 N ATOM 0 H LYS A 21 3.261 4.574 8.817 1.00 0.30 H new ATOM 0 HA LYS A 21 5.235 4.833 6.883 1.00 0.30 H new ATOM 0 HB2 LYS A 21 4.364 2.797 8.839 1.00 0.37 H new ATOM 0 HB3 LYS A 21 5.297 2.175 7.492 1.00 0.37 H new ATOM 0 HG2 LYS A 21 6.877 2.736 9.210 1.00 0.74 H new ATOM 0 HG3 LYS A 21 7.047 3.954 7.962 1.00 0.74 H new ATOM 0 HD2 LYS A 21 5.516 5.466 9.338 1.00 1.24 H new ATOM 0 HD3 LYS A 21 5.576 4.270 10.618 1.00 1.24 H new ATOM 0 HE2 LYS A 21 8.110 4.455 10.600 1.00 2.23 H new ATOM 0 HE3 LYS A 21 7.972 5.744 9.421 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 8.209 6.610 11.643 1.00 3.50 H new ATOM 0 HZ2 LYS A 21 6.688 7.027 11.016 1.00 3.50 H new ATOM 0 HZ3 LYS A 21 6.821 5.778 12.158 1.00 3.50 H new ATOM 296 N VAL A 22 2.760 2.960 5.729 1.00 0.29 N ATOM 297 CA VAL A 22 2.190 2.533 4.460 1.00 0.37 C ATOM 298 C VAL A 22 2.101 3.714 3.508 1.00 0.40 C ATOM 299 O VAL A 22 2.694 3.681 2.434 1.00 0.51 O ATOM 300 CB VAL A 22 0.778 1.966 4.670 1.00 0.45 C ATOM 301 CG1 VAL A 22 -0.010 1.822 3.364 1.00 0.61 C ATOM 302 CG2 VAL A 22 0.812 0.571 5.284 1.00 0.52 C ATOM 0 H VAL A 22 2.164 2.777 6.537 1.00 0.29 H new ATOM 0 HA VAL A 22 2.835 1.761 4.039 1.00 0.37 H new ATOM 0 HB VAL A 22 0.297 2.687 5.331 1.00 0.45 H new ATOM 0 HG11 VAL A 22 -0.999 1.417 3.578 1.00 0.61 H new ATOM 0 HG12 VAL A 22 -0.113 2.799 2.892 1.00 0.61 H new ATOM 0 HG13 VAL A 22 0.520 1.148 2.692 1.00 0.61 H new ATOM 0 HG21 VAL A 22 -0.207 0.207 5.416 1.00 0.52 H new ATOM 0 HG22 VAL A 22 1.356 -0.104 4.624 1.00 0.52 H new ATOM 0 HG23 VAL A 22 1.311 0.612 6.252 1.00 0.52 H new ATOM 312 N GLU A 23 1.319 4.740 3.868 1.00 0.35 N ATOM 313 CA GLU A 23 0.950 5.744 2.886 1.00 0.37 C ATOM 314 C GLU A 23 2.234 6.405 2.418 1.00 0.39 C ATOM 315 O GLU A 23 2.469 6.528 1.229 1.00 0.39 O ATOM 316 CB GLU A 23 -0.096 6.738 3.411 1.00 0.40 C ATOM 317 CG GLU A 23 0.423 7.579 4.575 1.00 0.41 C ATOM 318 CD GLU A 23 -0.622 8.537 5.124 1.00 0.62 C ATOM 319 OE1 GLU A 23 -1.158 9.307 4.299 1.00 1.65 O ATOM 320 OE2 GLU A 23 -0.825 8.514 6.357 1.00 1.95 O ATOM 0 H GLU A 23 0.944 4.888 4.805 1.00 0.35 H new ATOM 0 HA GLU A 23 0.450 5.276 2.038 1.00 0.37 H new ATOM 0 HB2 GLU A 23 -0.403 7.398 2.600 1.00 0.40 H new ATOM 0 HB3 GLU A 23 -0.983 6.191 3.730 1.00 0.40 H new ATOM 0 HG2 GLU A 23 0.758 6.917 5.374 1.00 0.41 H new ATOM 0 HG3 GLU A 23 1.293 8.148 4.247 1.00 0.41 H new ATOM 327 N ASN A 24 3.114 6.745 3.354 1.00 0.43 N ATOM 328 CA ASN A 24 4.395 7.357 3.073 1.00 0.46 C ATOM 329 C ASN A 24 5.260 6.418 2.217 1.00 0.47 C ATOM 330 O ASN A 24 5.852 6.868 1.235 1.00 0.51 O ATOM 331 CB ASN A 24 5.066 7.761 4.392 1.00 0.49 C ATOM 332 CG ASN A 24 4.394 8.973 5.056 1.00 0.51 C ATOM 333 OD1 ASN A 24 4.853 10.101 4.911 1.00 0.63 O ATOM 334 ND2 ASN A 24 3.306 8.747 5.790 1.00 0.46 N ATOM 0 H ASN A 24 2.947 6.597 4.349 1.00 0.43 H new ATOM 0 HA ASN A 24 4.259 8.266 2.487 1.00 0.46 H new ATOM 0 HB2 ASN A 24 5.042 6.916 5.080 1.00 0.49 H new ATOM 0 HB3 ASN A 24 6.115 7.990 4.205 1.00 0.49 H new ATOM 0 HD21 ASN A 24 2.831 9.523 6.250 1.00 0.46 H new ATOM 0 HD22 ASN A 24 2.948 7.797 5.892 1.00 0.46 H new ATOM 341 N ALA A 25 5.298 5.114 2.530 1.00 0.50 N ATOM 342 CA ALA A 25 5.982 4.123 1.697 1.00 0.56 C ATOM 343 C ALA A 25 5.391 4.041 0.287 1.00 0.40 C ATOM 344 O ALA A 25 6.079 3.652 -0.652 1.00 0.44 O ATOM 345 CB ALA A 25 5.986 2.744 2.362 1.00 0.74 C ATOM 0 H ALA A 25 4.858 4.722 3.363 1.00 0.50 H new ATOM 0 HA ALA A 25 7.014 4.460 1.597 1.00 0.56 H new ATOM 0 HB1 ALA A 25 6.501 2.031 1.718 1.00 0.74 H new ATOM 0 HB2 ALA A 25 6.500 2.804 3.321 1.00 0.74 H new ATOM 0 HB3 ALA A 25 4.959 2.414 2.521 1.00 0.74 H new ATOM 351 N VAL A 26 4.122 4.412 0.129 1.00 0.36 N ATOM 352 CA VAL A 26 3.468 4.537 -1.163 1.00 0.45 C ATOM 353 C VAL A 26 3.781 5.917 -1.786 1.00 0.35 C ATOM 354 O VAL A 26 3.995 6.030 -2.990 1.00 0.49 O ATOM 355 CB VAL A 26 1.966 4.234 -0.968 1.00 0.66 C ATOM 356 CG1 VAL A 26 1.155 4.457 -2.236 1.00 1.43 C ATOM 357 CG2 VAL A 26 1.727 2.787 -0.514 1.00 1.75 C ATOM 0 H VAL A 26 3.511 4.638 0.914 1.00 0.36 H new ATOM 0 HA VAL A 26 3.846 3.815 -1.887 1.00 0.45 H new ATOM 0 HB VAL A 26 1.636 4.931 -0.197 1.00 0.66 H new ATOM 0 HG11 VAL A 26 0.107 4.229 -2.042 1.00 1.43 H new ATOM 0 HG12 VAL A 26 1.249 5.497 -2.550 1.00 1.43 H new ATOM 0 HG13 VAL A 26 1.528 3.805 -3.026 1.00 1.43 H new ATOM 0 HG21 VAL A 26 0.658 2.617 -0.389 1.00 1.75 H new ATOM 0 HG22 VAL A 26 2.118 2.101 -1.265 1.00 1.75 H new ATOM 0 HG23 VAL A 26 2.235 2.615 0.435 1.00 1.75 H new ATOM 367 N ARG A 27 3.841 6.986 -0.989 1.00 0.24 N ATOM 368 CA ARG A 27 4.005 8.353 -1.474 1.00 0.23 C ATOM 369 C ARG A 27 5.412 8.554 -2.025 1.00 0.28 C ATOM 370 O ARG A 27 5.601 9.267 -3.006 1.00 0.49 O ATOM 371 CB ARG A 27 3.730 9.388 -0.368 1.00 0.29 C ATOM 372 CG ARG A 27 2.338 9.237 0.266 1.00 0.41 C ATOM 373 CD ARG A 27 1.568 10.547 0.368 1.00 1.09 C ATOM 374 NE ARG A 27 2.219 11.498 1.282 1.00 0.86 N ATOM 375 CZ ARG A 27 1.752 12.728 1.541 1.00 1.53 C ATOM 376 NH1 ARG A 27 0.651 13.164 0.918 1.00 2.69 N ATOM 377 NH2 ARG A 27 2.387 13.516 2.417 1.00 1.75 N ATOM 0 H ARG A 27 3.776 6.922 0.027 1.00 0.24 H new ATOM 0 HA ARG A 27 3.276 8.506 -2.269 1.00 0.23 H new ATOM 0 HB2 ARG A 27 4.489 9.291 0.409 1.00 0.29 H new ATOM 0 HB3 ARG A 27 3.826 10.391 -0.785 1.00 0.29 H new ATOM 0 HG2 ARG A 27 1.755 8.528 -0.322 1.00 0.41 H new ATOM 0 HG3 ARG A 27 2.447 8.811 1.263 1.00 0.41 H new ATOM 0 HD2 ARG A 27 1.483 10.996 -0.622 1.00 1.09 H new ATOM 0 HD3 ARG A 27 0.555 10.346 0.715 1.00 1.09 H new ATOM 0 HE ARG A 27 3.078 11.204 1.747 1.00 0.86 H new ATOM 0 HH11 ARG A 27 0.171 12.562 0.250 1.00 2.69 H new ATOM 0 HH12 ARG A 27 0.292 14.099 1.112 1.00 2.69 H new ATOM 0 HH21 ARG A 27 3.227 13.181 2.888 1.00 1.75 H new ATOM 0 HH22 ARG A 27 2.031 14.451 2.613 1.00 1.75 H new ATOM 391 N GLN A 28 6.402 7.933 -1.379 1.00 0.21 N ATOM 392 CA GLN A 28 7.808 8.094 -1.723 1.00 0.26 C ATOM 393 C GLN A 28 8.129 7.695 -3.168 1.00 0.25 C ATOM 394 O GLN A 28 9.203 8.040 -3.648 1.00 0.35 O ATOM 395 CB GLN A 28 8.677 7.315 -0.726 1.00 0.30 C ATOM 396 CG GLN A 28 8.582 5.800 -0.962 1.00 0.34 C ATOM 397 CD GLN A 28 9.380 4.973 0.044 1.00 0.45 C ATOM 398 OE1 GLN A 28 9.375 5.355 1.319 1.00 0.55 O flip ATOM 399 NE2 GLN A 28 10.019 3.993 -0.320 1.00 0.68 N flip ATOM 0 H GLN A 28 6.244 7.299 -0.596 1.00 0.21 H new ATOM 0 HA GLN A 28 8.038 9.157 -1.654 1.00 0.26 H new ATOM 0 HB2 GLN A 28 9.715 7.635 -0.819 1.00 0.30 H new ATOM 0 HB3 GLN A 28 8.362 7.546 0.292 1.00 0.30 H new ATOM 0 HG2 GLN A 28 7.535 5.499 -0.918 1.00 0.34 H new ATOM 0 HG3 GLN A 28 8.937 5.574 -1.968 1.00 0.34 H new ATOM 0 HE21 GLN A 28 10.011 3.715 -1.301 1.00 0.68 H new ATOM 0 HE22 GLN A 28 10.559 3.455 0.358 1.00 0.68 H new ATOM 408 N LEU A 29 7.256 6.915 -3.819 1.00 0.29 N ATOM 409 CA LEU A 29 7.487 6.375 -5.149 1.00 0.43 C ATOM 410 C LEU A 29 7.735 7.484 -6.178 1.00 0.62 C ATOM 411 O LEU A 29 8.874 7.849 -6.451 1.00 1.09 O ATOM 412 CB LEU A 29 6.329 5.450 -5.522 1.00 0.38 C ATOM 413 CG LEU A 29 6.195 4.185 -4.650 1.00 0.38 C ATOM 414 CD1 LEU A 29 5.722 3.093 -5.580 1.00 0.41 C ATOM 415 CD2 LEU A 29 7.435 3.642 -3.928 1.00 0.59 C ATOM 0 H LEU A 29 6.357 6.642 -3.422 1.00 0.29 H new ATOM 0 HA LEU A 29 8.401 5.782 -5.148 1.00 0.43 H new ATOM 0 HB2 LEU A 29 5.399 6.015 -5.461 1.00 0.38 H new ATOM 0 HB3 LEU A 29 6.449 5.145 -6.562 1.00 0.38 H new ATOM 0 HG LEU A 29 5.530 4.478 -3.838 1.00 0.38 H new ATOM 0 HD11 LEU A 29 5.606 2.164 -5.021 1.00 0.41 H new ATOM 0 HD12 LEU A 29 4.764 3.376 -6.016 1.00 0.41 H new ATOM 0 HD13 LEU A 29 6.454 2.950 -6.375 1.00 0.41 H new ATOM 0 HD21 LEU A 29 7.165 2.751 -3.361 1.00 0.59 H new ATOM 0 HD22 LEU A 29 8.200 3.387 -4.661 1.00 0.59 H new ATOM 0 HD23 LEU A 29 7.822 4.401 -3.248 1.00 0.59 H new ATOM 427 N ALA A 30 6.647 7.962 -6.776 1.00 0.51 N ATOM 428 CA ALA A 30 6.554 8.980 -7.816 1.00 0.49 C ATOM 429 C ALA A 30 5.206 8.831 -8.514 1.00 0.52 C ATOM 430 O ALA A 30 4.440 9.780 -8.630 1.00 0.52 O ATOM 431 CB ALA A 30 7.660 8.799 -8.855 1.00 0.52 C ATOM 0 H ALA A 30 5.723 7.613 -6.520 1.00 0.51 H new ATOM 0 HA ALA A 30 6.658 9.964 -7.359 1.00 0.49 H new ATOM 0 HB1 ALA A 30 7.570 9.570 -9.620 1.00 0.52 H new ATOM 0 HB2 ALA A 30 8.632 8.882 -8.369 1.00 0.52 H new ATOM 0 HB3 ALA A 30 7.568 7.816 -9.317 1.00 0.52 H new ATOM 437 N GLY A 31 4.936 7.614 -8.993 1.00 0.56 N ATOM 438 CA GLY A 31 3.827 7.336 -9.895 1.00 0.60 C ATOM 439 C GLY A 31 2.470 7.205 -9.200 1.00 0.55 C ATOM 440 O GLY A 31 1.462 6.977 -9.870 1.00 0.82 O ATOM 0 H GLY A 31 5.489 6.789 -8.760 1.00 0.56 H new ATOM 0 HA2 GLY A 31 3.768 8.133 -10.636 1.00 0.60 H new ATOM 0 HA3 GLY A 31 4.036 6.413 -10.436 1.00 0.60 H new ATOM 444 N VAL A 32 2.439 7.283 -7.870 1.00 0.34 N ATOM 445 CA VAL A 32 1.213 7.253 -7.088 1.00 0.24 C ATOM 446 C VAL A 32 0.583 8.642 -7.149 1.00 0.30 C ATOM 447 O VAL A 32 1.311 9.631 -7.095 1.00 0.40 O ATOM 448 CB VAL A 32 1.569 6.862 -5.647 1.00 0.28 C ATOM 449 CG1 VAL A 32 0.388 6.974 -4.670 1.00 0.40 C ATOM 450 CG2 VAL A 32 2.111 5.425 -5.643 1.00 0.27 C ATOM 0 H VAL A 32 3.281 7.370 -7.301 1.00 0.34 H new ATOM 0 HA VAL A 32 0.500 6.526 -7.477 1.00 0.24 H new ATOM 0 HB VAL A 32 2.322 7.569 -5.298 1.00 0.28 H new ATOM 0 HG11 VAL A 32 0.713 6.682 -3.671 1.00 0.40 H new ATOM 0 HG12 VAL A 32 0.030 8.003 -4.649 1.00 0.40 H new ATOM 0 HG13 VAL A 32 -0.418 6.316 -4.996 1.00 0.40 H new ATOM 0 HG21 VAL A 32 2.368 5.136 -4.624 1.00 0.27 H new ATOM 0 HG22 VAL A 32 1.350 4.748 -6.032 1.00 0.27 H new ATOM 0 HG23 VAL A 32 3.000 5.370 -6.271 1.00 0.27 H new ATOM 460 N ASN A 33 -0.752 8.722 -7.199 1.00 0.30 N ATOM 461 CA ASN A 33 -1.453 9.987 -7.018 1.00 0.43 C ATOM 462 C ASN A 33 -2.197 9.964 -5.688 1.00 0.47 C ATOM 463 O ASN A 33 -2.071 10.904 -4.905 1.00 0.84 O ATOM 464 CB ASN A 33 -2.345 10.334 -8.217 1.00 0.72 C ATOM 465 CG ASN A 33 -3.458 9.328 -8.494 1.00 1.49 C ATOM 466 OD1 ASN A 33 -4.433 9.249 -7.755 1.00 3.34 O ATOM 467 ND2 ASN A 33 -3.353 8.578 -9.575 1.00 1.05 N ATOM 0 H ASN A 33 -1.364 7.922 -7.364 1.00 0.30 H new ATOM 0 HA ASN A 33 -0.726 10.798 -6.977 1.00 0.43 H new ATOM 0 HB2 ASN A 33 -2.792 11.314 -8.049 1.00 0.72 H new ATOM 0 HB3 ASN A 33 -1.720 10.418 -9.106 1.00 0.72 H new ATOM 0 HD21 ASN A 33 -4.092 7.916 -9.810 1.00 1.05 H new ATOM 0 HD22 ASN A 33 -2.533 8.661 -10.175 1.00 1.05 H new ATOM 474 N GLN A 34 -2.947 8.893 -5.410 1.00 0.37 N ATOM 475 CA GLN A 34 -3.762 8.764 -4.213 1.00 0.52 C ATOM 476 C GLN A 34 -3.640 7.333 -3.689 1.00 0.55 C ATOM 477 O GLN A 34 -3.261 6.412 -4.410 1.00 1.02 O ATOM 478 CB GLN A 34 -5.218 9.143 -4.538 1.00 0.65 C ATOM 479 CG GLN A 34 -5.393 10.666 -4.676 1.00 1.67 C ATOM 480 CD GLN A 34 -6.612 11.050 -5.506 1.00 1.52 C ATOM 481 OE1 GLN A 34 -7.574 11.607 -4.988 1.00 1.87 O ATOM 482 NE2 GLN A 34 -6.569 10.788 -6.808 1.00 1.35 N ATOM 0 H GLN A 34 -3.001 8.081 -6.025 1.00 0.37 H new ATOM 0 HA GLN A 34 -3.417 9.442 -3.432 1.00 0.52 H new ATOM 0 HB2 GLN A 34 -5.522 8.656 -5.465 1.00 0.65 H new ATOM 0 HB3 GLN A 34 -5.875 8.771 -3.752 1.00 0.65 H new ATOM 0 HG2 GLN A 34 -5.482 11.108 -3.684 1.00 1.67 H new ATOM 0 HG3 GLN A 34 -4.499 11.089 -5.135 1.00 1.67 H new ATOM 0 HE21 GLN A 34 -5.754 10.323 -7.208 1.00 1.35 H new ATOM 0 HE22 GLN A 34 -7.351 11.052 -7.407 1.00 1.35 H new ATOM 491 N VAL A 35 -3.935 7.153 -2.406 1.00 0.38 N ATOM 492 CA VAL A 35 -3.880 5.882 -1.717 1.00 0.39 C ATOM 493 C VAL A 35 -5.031 5.821 -0.713 1.00 0.41 C ATOM 494 O VAL A 35 -5.319 6.793 -0.021 1.00 0.51 O ATOM 495 CB VAL A 35 -2.496 5.709 -1.069 1.00 0.54 C ATOM 496 CG1 VAL A 35 -2.199 6.752 0.020 1.00 1.46 C ATOM 497 CG2 VAL A 35 -2.303 4.295 -0.516 1.00 1.76 C ATOM 0 H VAL A 35 -4.229 7.920 -1.801 1.00 0.38 H new ATOM 0 HA VAL A 35 -4.005 5.048 -2.408 1.00 0.39 H new ATOM 0 HB VAL A 35 -1.777 5.873 -1.872 1.00 0.54 H new ATOM 0 HG11 VAL A 35 -1.207 6.572 0.435 1.00 1.46 H new ATOM 0 HG12 VAL A 35 -2.235 7.751 -0.414 1.00 1.46 H new ATOM 0 HG13 VAL A 35 -2.944 6.673 0.812 1.00 1.46 H new ATOM 0 HG21 VAL A 35 -1.314 4.212 -0.066 1.00 1.76 H new ATOM 0 HG22 VAL A 35 -3.063 4.093 0.239 1.00 1.76 H new ATOM 0 HG23 VAL A 35 -2.395 3.572 -1.326 1.00 1.76 H new ATOM 507 N GLN A 36 -5.696 4.671 -0.668 1.00 0.46 N ATOM 508 CA GLN A 36 -6.706 4.282 0.291 1.00 0.63 C ATOM 509 C GLN A 36 -6.160 3.147 1.144 1.00 0.48 C ATOM 510 O GLN A 36 -6.350 1.966 0.864 1.00 0.52 O ATOM 511 CB GLN A 36 -7.951 3.829 -0.454 1.00 1.02 C ATOM 512 CG GLN A 36 -8.795 5.015 -0.893 1.00 1.01 C ATOM 513 CD GLN A 36 -9.043 4.995 -2.402 1.00 1.18 C ATOM 514 OE1 GLN A 36 -9.943 4.316 -2.901 1.00 1.93 O ATOM 515 NE2 GLN A 36 -8.202 5.709 -3.139 1.00 1.34 N ATOM 0 H GLN A 36 -5.525 3.937 -1.355 1.00 0.46 H new ATOM 0 HA GLN A 36 -6.965 5.123 0.934 1.00 0.63 H new ATOM 0 HB2 GLN A 36 -7.662 3.243 -1.326 1.00 1.02 H new ATOM 0 HB3 GLN A 36 -8.543 3.176 0.187 1.00 1.02 H new ATOM 0 HG2 GLN A 36 -9.749 5.000 -0.366 1.00 1.01 H new ATOM 0 HG3 GLN A 36 -8.293 5.943 -0.617 1.00 1.01 H new ATOM 0 HE21 GLN A 36 -7.470 6.259 -2.689 1.00 1.34 H new ATOM 0 HE22 GLN A 36 -8.288 5.708 -4.155 1.00 1.34 H new ATOM 524 N VAL A 37 -5.558 3.552 2.247 1.00 0.39 N ATOM 525 CA VAL A 37 -5.147 2.690 3.336 1.00 0.32 C ATOM 526 C VAL A 37 -6.338 2.647 4.298 1.00 0.35 C ATOM 527 O VAL A 37 -6.748 3.682 4.820 1.00 0.56 O ATOM 528 CB VAL A 37 -3.874 3.263 4.008 1.00 0.38 C ATOM 529 CG1 VAL A 37 -2.814 3.602 2.958 1.00 1.71 C ATOM 530 CG2 VAL A 37 -4.068 4.542 4.843 1.00 1.40 C ATOM 0 H VAL A 37 -5.333 4.533 2.414 1.00 0.39 H new ATOM 0 HA VAL A 37 -4.890 1.684 3.003 1.00 0.32 H new ATOM 0 HB VAL A 37 -3.575 2.463 4.685 1.00 0.38 H new ATOM 0 HG11 VAL A 37 -1.928 4.003 3.451 1.00 1.71 H new ATOM 0 HG12 VAL A 37 -2.546 2.700 2.407 1.00 1.71 H new ATOM 0 HG13 VAL A 37 -3.212 4.345 2.266 1.00 1.71 H new ATOM 0 HG21 VAL A 37 -3.111 4.850 5.264 1.00 1.40 H new ATOM 0 HG22 VAL A 37 -4.457 5.337 4.206 1.00 1.40 H new ATOM 0 HG23 VAL A 37 -4.773 4.346 5.650 1.00 1.40 H new ATOM 540 N LEU A 38 -6.965 1.480 4.472 1.00 0.33 N ATOM 541 CA LEU A 38 -8.092 1.324 5.371 1.00 0.34 C ATOM 542 C LEU A 38 -7.798 0.189 6.357 1.00 0.36 C ATOM 543 O LEU A 38 -7.751 -0.983 5.973 1.00 0.45 O ATOM 544 CB LEU A 38 -9.358 1.097 4.538 1.00 0.34 C ATOM 545 CG LEU A 38 -10.542 0.663 5.402 1.00 0.36 C ATOM 546 CD1 LEU A 38 -10.890 1.672 6.506 1.00 0.41 C ATOM 547 CD2 LEU A 38 -11.789 0.420 4.547 1.00 0.40 C ATOM 0 H LEU A 38 -6.699 0.622 3.989 1.00 0.33 H new ATOM 0 HA LEU A 38 -8.256 2.221 5.968 1.00 0.34 H new ATOM 0 HB2 LEU A 38 -9.613 2.015 4.008 1.00 0.34 H new ATOM 0 HB3 LEU A 38 -9.163 0.336 3.782 1.00 0.34 H new ATOM 0 HG LEU A 38 -10.226 -0.264 5.881 1.00 0.36 H new ATOM 0 HD11 LEU A 38 -11.739 1.303 7.082 1.00 0.41 H new ATOM 0 HD12 LEU A 38 -10.032 1.800 7.166 1.00 0.41 H new ATOM 0 HD13 LEU A 38 -11.147 2.631 6.055 1.00 0.41 H new ATOM 0 HD21 LEU A 38 -12.615 0.112 5.188 1.00 0.40 H new ATOM 0 HD22 LEU A 38 -12.057 1.339 4.025 1.00 0.40 H new ATOM 0 HD23 LEU A 38 -11.584 -0.364 3.819 1.00 0.40 H new ATOM 559 N PHE A 39 -7.630 0.553 7.633 1.00 0.61 N ATOM 560 CA PHE A 39 -7.543 -0.384 8.742 1.00 0.79 C ATOM 561 C PHE A 39 -8.796 -1.235 8.876 1.00 1.00 C ATOM 562 O PHE A 39 -9.831 -0.953 8.276 1.00 1.66 O ATOM 563 CB PHE A 39 -7.343 0.374 10.063 1.00 1.28 C ATOM 564 CG PHE A 39 -6.012 1.060 10.241 1.00 0.63 C ATOM 565 CD1 PHE A 39 -4.838 0.346 9.951 1.00 1.66 C ATOM 566 CD2 PHE A 39 -5.938 2.245 10.995 1.00 1.67 C ATOM 567 CE1 PHE A 39 -3.605 0.796 10.425 1.00 2.17 C ATOM 568 CE2 PHE A 39 -4.696 2.697 11.472 1.00 2.04 C ATOM 569 CZ PHE A 39 -3.530 1.968 11.191 1.00 1.95 C ATOM 0 H PHE A 39 -7.550 1.528 7.922 1.00 0.61 H new ATOM 0 HA PHE A 39 -6.694 -1.035 8.533 1.00 0.79 H new ATOM 0 HB2 PHE A 39 -8.129 1.124 10.150 1.00 1.28 H new ATOM 0 HB3 PHE A 39 -7.479 -0.328 10.885 1.00 1.28 H new ATOM 0 HD1 PHE A 39 -4.890 -0.555 9.358 1.00 1.66 H new ATOM 0 HD2 PHE A 39 -6.835 2.807 11.207 1.00 1.67 H new ATOM 0 HE1 PHE A 39 -2.706 0.240 10.201 1.00 2.17 H new ATOM 0 HE2 PHE A 39 -4.639 3.605 12.054 1.00 2.04 H new ATOM 0 HZ PHE A 39 -2.576 2.309 11.564 1.00 1.95 H new ATOM 579 N ALA A 40 -8.677 -2.276 9.700 1.00 0.86 N ATOM 580 CA ALA A 40 -9.725 -3.202 10.093 1.00 0.97 C ATOM 581 C ALA A 40 -10.108 -4.133 8.940 1.00 0.81 C ATOM 582 O ALA A 40 -10.015 -5.349 9.071 1.00 1.01 O ATOM 583 CB ALA A 40 -10.934 -2.482 10.702 1.00 1.22 C ATOM 0 H ALA A 40 -7.784 -2.505 10.137 1.00 0.86 H new ATOM 0 HA ALA A 40 -9.324 -3.833 10.886 1.00 0.97 H new ATOM 0 HB1 ALA A 40 -11.691 -3.215 10.981 1.00 1.22 H new ATOM 0 HB2 ALA A 40 -10.620 -1.930 11.588 1.00 1.22 H new ATOM 0 HB3 ALA A 40 -11.351 -1.789 9.971 1.00 1.22 H new ATOM 589 N THR A 41 -10.481 -3.570 7.785 1.00 0.67 N ATOM 590 CA THR A 41 -10.468 -4.299 6.528 1.00 0.49 C ATOM 591 C THR A 41 -9.026 -4.709 6.218 1.00 0.40 C ATOM 592 O THR A 41 -8.782 -5.759 5.631 1.00 0.93 O ATOM 593 CB THR A 41 -11.041 -3.401 5.424 1.00 0.56 C ATOM 594 OG1 THR A 41 -12.172 -2.709 5.914 1.00 0.86 O ATOM 595 CG2 THR A 41 -11.448 -4.216 4.194 1.00 1.15 C ATOM 0 H THR A 41 -10.797 -2.604 7.703 1.00 0.67 H new ATOM 0 HA THR A 41 -11.082 -5.198 6.591 1.00 0.49 H new ATOM 0 HB THR A 41 -10.264 -2.696 5.129 1.00 0.56 H new ATOM 0 HG1 THR A 41 -12.535 -2.135 5.208 1.00 0.86 H new ATOM 0 HG21 THR A 41 -11.850 -3.548 3.432 1.00 1.15 H new ATOM 0 HG22 THR A 41 -10.576 -4.736 3.798 1.00 1.15 H new ATOM 0 HG23 THR A 41 -12.208 -4.944 4.476 1.00 1.15 H new ATOM 603 N GLU A 42 -8.082 -3.844 6.609 1.00 0.46 N ATOM 604 CA GLU A 42 -6.660 -3.985 6.367 1.00 0.71 C ATOM 605 C GLU A 42 -6.411 -4.056 4.859 1.00 0.60 C ATOM 606 O GLU A 42 -5.641 -4.871 4.340 1.00 0.71 O ATOM 607 CB GLU A 42 -6.070 -5.125 7.208 1.00 1.06 C ATOM 608 CG GLU A 42 -4.656 -4.713 7.617 1.00 2.43 C ATOM 609 CD GLU A 42 -3.957 -5.676 8.557 1.00 3.34 C ATOM 610 OE1 GLU A 42 -4.640 -6.522 9.173 1.00 3.52 O ATOM 611 OE2 GLU A 42 -2.719 -5.529 8.645 1.00 4.81 O ATOM 0 H GLU A 42 -8.309 -2.993 7.124 1.00 0.46 H new ATOM 0 HA GLU A 42 -6.110 -3.108 6.710 1.00 0.71 H new ATOM 0 HB2 GLU A 42 -6.685 -5.309 8.089 1.00 1.06 H new ATOM 0 HB3 GLU A 42 -6.048 -6.052 6.635 1.00 1.06 H new ATOM 0 HG2 GLU A 42 -4.051 -4.603 6.717 1.00 2.43 H new ATOM 0 HG3 GLU A 42 -4.702 -3.733 8.092 1.00 2.43 H new ATOM 618 N LYS A 43 -7.092 -3.138 4.169 1.00 0.50 N ATOM 619 CA LYS A 43 -7.082 -3.025 2.727 1.00 0.51 C ATOM 620 C LYS A 43 -6.110 -1.923 2.336 1.00 0.38 C ATOM 621 O LYS A 43 -6.082 -0.844 2.936 1.00 0.54 O ATOM 622 CB LYS A 43 -8.514 -2.814 2.191 1.00 0.79 C ATOM 623 CG LYS A 43 -8.657 -2.140 0.819 1.00 1.22 C ATOM 624 CD LYS A 43 -8.709 -0.603 0.910 1.00 0.96 C ATOM 625 CE LYS A 43 -10.142 -0.103 1.131 1.00 0.56 C ATOM 626 NZ LYS A 43 -10.905 -0.038 -0.132 1.00 1.37 N ATOM 0 H LYS A 43 -7.680 -2.437 4.621 1.00 0.50 H new ATOM 0 HA LYS A 43 -6.734 -3.948 2.264 1.00 0.51 H new ATOM 0 HB2 LYS A 43 -9.003 -3.787 2.142 1.00 0.79 H new ATOM 0 HB3 LYS A 43 -9.063 -2.217 2.919 1.00 0.79 H new ATOM 0 HG2 LYS A 43 -7.819 -2.434 0.186 1.00 1.22 H new ATOM 0 HG3 LYS A 43 -9.564 -2.501 0.335 1.00 1.22 H new ATOM 0 HD2 LYS A 43 -8.074 -0.264 1.728 1.00 0.96 H new ATOM 0 HD3 LYS A 43 -8.308 -0.169 -0.006 1.00 0.96 H new ATOM 0 HE2 LYS A 43 -10.653 -0.765 1.830 1.00 0.56 H new ATOM 0 HE3 LYS A 43 -10.115 0.885 1.590 1.00 0.56 H new ATOM 0 HZ1 LYS A 43 -11.868 0.304 0.061 1.00 1.37 H new ATOM 0 HZ2 LYS A 43 -10.432 0.613 -0.790 1.00 1.37 H new ATOM 0 HZ3 LYS A 43 -10.954 -0.986 -0.557 1.00 1.37 H new ATOM 640 N LEU A 44 -5.371 -2.210 1.271 1.00 0.33 N ATOM 641 CA LEU A 44 -4.679 -1.239 0.460 1.00 0.47 C ATOM 642 C LEU A 44 -5.566 -0.961 -0.706 1.00 0.51 C ATOM 643 O LEU A 44 -6.123 -1.888 -1.284 1.00 0.78 O ATOM 644 CB LEU A 44 -3.444 -1.869 -0.173 1.00 0.92 C ATOM 645 CG LEU A 44 -2.139 -1.301 0.334 1.00 1.10 C ATOM 646 CD1 LEU A 44 -1.568 0.031 -0.156 1.00 0.86 C ATOM 647 CD2 LEU A 44 -2.273 -1.106 1.809 1.00 1.69 C ATOM 0 H LEU A 44 -5.238 -3.167 0.943 1.00 0.33 H new ATOM 0 HA LEU A 44 -4.425 -0.373 1.071 1.00 0.47 H new ATOM 0 HB2 LEU A 44 -3.459 -2.943 0.015 1.00 0.92 H new ATOM 0 HB3 LEU A 44 -3.492 -1.734 -1.253 1.00 0.92 H new ATOM 0 HG LEU A 44 -1.448 -2.046 -0.061 1.00 1.10 H new ATOM 0 HD11 LEU A 44 -0.623 0.230 0.350 1.00 0.86 H new ATOM 0 HD12 LEU A 44 -1.400 -0.019 -1.232 1.00 0.86 H new ATOM 0 HD13 LEU A 44 -2.274 0.832 0.064 1.00 0.86 H new ATOM 0 HD21 LEU A 44 -1.345 -0.696 2.208 1.00 1.69 H new ATOM 0 HD22 LEU A 44 -3.092 -0.415 2.012 1.00 1.69 H new ATOM 0 HD23 LEU A 44 -2.480 -2.064 2.285 1.00 1.69 H new ATOM 659 N VAL A 45 -5.550 0.289 -1.119 1.00 0.38 N ATOM 660 CA VAL A 45 -5.762 0.617 -2.505 1.00 0.40 C ATOM 661 C VAL A 45 -4.765 1.706 -2.851 1.00 0.39 C ATOM 662 O VAL A 45 -4.566 2.638 -2.084 1.00 0.50 O ATOM 663 CB VAL A 45 -7.228 1.008 -2.752 1.00 0.44 C ATOM 664 CG1 VAL A 45 -7.359 2.161 -3.757 1.00 0.69 C ATOM 665 CG2 VAL A 45 -7.989 -0.199 -3.291 1.00 0.78 C ATOM 0 H VAL A 45 -5.392 1.092 -0.511 1.00 0.38 H new ATOM 0 HA VAL A 45 -5.591 -0.236 -3.162 1.00 0.40 H new ATOM 0 HB VAL A 45 -7.643 1.339 -1.800 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.413 2.402 -3.899 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -6.835 3.037 -3.376 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -6.923 1.864 -4.711 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -9.029 0.076 -3.467 1.00 0.78 H new ATOM 0 HG22 VAL A 45 -7.537 -0.526 -4.227 1.00 0.78 H new ATOM 0 HG23 VAL A 45 -7.946 -1.010 -2.564 1.00 0.78 H new ATOM 675 N VAL A 46 -4.100 1.539 -3.980 1.00 0.39 N ATOM 676 CA VAL A 46 -3.112 2.437 -4.538 1.00 0.45 C ATOM 677 C VAL A 46 -3.623 2.921 -5.890 1.00 0.36 C ATOM 678 O VAL A 46 -3.680 2.134 -6.835 1.00 0.49 O ATOM 679 CB VAL A 46 -1.823 1.620 -4.624 1.00 0.66 C ATOM 680 CG1 VAL A 46 -0.744 2.204 -5.539 1.00 1.03 C ATOM 681 CG2 VAL A 46 -1.308 1.497 -3.189 1.00 0.62 C ATOM 0 H VAL A 46 -4.247 0.718 -4.568 1.00 0.39 H new ATOM 0 HA VAL A 46 -2.926 3.331 -3.943 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.052 0.657 -5.081 1.00 0.66 H new ATOM 0 HG11 VAL A 46 0.130 1.553 -5.533 1.00 1.03 H new ATOM 0 HG12 VAL A 46 -1.131 2.282 -6.555 1.00 1.03 H new ATOM 0 HG13 VAL A 46 -0.461 3.194 -5.182 1.00 1.03 H new ATOM 0 HG21 VAL A 46 -0.383 0.920 -3.183 1.00 0.62 H new ATOM 0 HG22 VAL A 46 -1.119 2.491 -2.784 1.00 0.62 H new ATOM 0 HG23 VAL A 46 -2.055 0.992 -2.576 1.00 0.62 H new ATOM 691 N ASP A 47 -3.982 4.204 -5.968 1.00 0.27 N ATOM 692 CA ASP A 47 -4.469 4.847 -7.175 1.00 0.22 C ATOM 693 C ASP A 47 -3.266 5.587 -7.779 1.00 0.22 C ATOM 694 O ASP A 47 -2.789 6.593 -7.237 1.00 0.28 O ATOM 695 CB ASP A 47 -5.669 5.755 -6.852 1.00 0.37 C ATOM 696 CG ASP A 47 -6.936 5.014 -6.400 1.00 1.31 C ATOM 697 OD1 ASP A 47 -7.074 3.801 -6.672 1.00 2.21 O ATOM 698 OD2 ASP A 47 -7.785 5.679 -5.767 1.00 2.47 O ATOM 0 H ASP A 47 -3.938 4.835 -5.168 1.00 0.27 H new ATOM 0 HA ASP A 47 -4.852 4.136 -7.907 1.00 0.22 H new ATOM 0 HB2 ASP A 47 -5.376 6.455 -6.070 1.00 0.37 H new ATOM 0 HB3 ASP A 47 -5.907 6.346 -7.736 1.00 0.37 H new ATOM 703 N ALA A 48 -2.713 5.013 -8.853 1.00 0.27 N ATOM 704 CA ALA A 48 -1.415 5.374 -9.413 1.00 0.34 C ATOM 705 C ALA A 48 -1.486 5.433 -10.939 1.00 0.39 C ATOM 706 O ALA A 48 -2.104 4.570 -11.565 1.00 0.52 O ATOM 707 CB ALA A 48 -0.388 4.332 -8.960 1.00 0.40 C ATOM 0 H ALA A 48 -3.173 4.263 -9.369 1.00 0.27 H new ATOM 0 HA ALA A 48 -1.120 6.362 -9.059 1.00 0.34 H new ATOM 0 HB1 ALA A 48 0.591 4.584 -9.369 1.00 0.40 H new ATOM 0 HB2 ALA A 48 -0.335 4.323 -7.871 1.00 0.40 H new ATOM 0 HB3 ALA A 48 -0.688 3.347 -9.317 1.00 0.40 H new ATOM 713 N ASP A 49 -0.861 6.441 -11.555 1.00 0.45 N ATOM 714 CA ASP A 49 -1.033 6.703 -12.986 1.00 0.51 C ATOM 715 C ASP A 49 -0.029 5.903 -13.815 1.00 0.39 C ATOM 716 O ASP A 49 0.726 6.460 -14.609 1.00 0.51 O ATOM 717 CB ASP A 49 -0.956 8.207 -13.276 1.00 0.75 C ATOM 718 CG ASP A 49 -1.964 8.978 -12.450 1.00 1.52 C ATOM 719 OD1 ASP A 49 -3.146 9.034 -12.847 1.00 1.64 O ATOM 720 OD2 ASP A 49 -1.551 9.436 -11.363 1.00 3.04 O ATOM 0 H ASP A 49 -0.231 7.090 -11.084 1.00 0.45 H new ATOM 0 HA ASP A 49 -2.027 6.367 -13.282 1.00 0.51 H new ATOM 0 HB2 ASP A 49 0.049 8.570 -13.060 1.00 0.75 H new ATOM 0 HB3 ASP A 49 -1.138 8.385 -14.336 1.00 0.75 H new ATOM 725 N ASN A 50 -0.034 4.581 -13.624 1.00 0.41 N ATOM 726 CA ASN A 50 0.997 3.639 -14.070 1.00 0.48 C ATOM 727 C ASN A 50 0.941 2.427 -13.150 1.00 0.65 C ATOM 728 O ASN A 50 0.599 2.592 -11.978 1.00 1.77 O ATOM 729 CB ASN A 50 2.430 4.228 -14.021 1.00 0.50 C ATOM 730 CG ASN A 50 2.754 5.104 -12.802 1.00 0.75 C ATOM 731 OD1 ASN A 50 3.573 6.012 -12.896 1.00 1.59 O ATOM 732 ND2 ASN A 50 2.110 4.884 -11.658 1.00 0.87 N ATOM 0 H ASN A 50 -0.795 4.115 -13.130 1.00 0.41 H new ATOM 0 HA ASN A 50 0.793 3.388 -15.111 1.00 0.48 H new ATOM 0 HB2 ASN A 50 3.142 3.403 -14.051 1.00 0.50 H new ATOM 0 HB3 ASN A 50 2.590 4.820 -14.922 1.00 0.50 H new ATOM 0 HD21 ASN A 50 2.295 5.474 -10.847 1.00 0.87 H new ATOM 0 HD22 ASN A 50 1.431 4.126 -11.593 1.00 0.87 H new ATOM 739 N ASP A 51 1.335 1.244 -13.629 1.00 0.77 N ATOM 740 CA ASP A 51 1.628 0.163 -12.705 1.00 0.60 C ATOM 741 C ASP A 51 2.963 0.457 -12.033 1.00 0.55 C ATOM 742 O ASP A 51 3.982 0.610 -12.705 1.00 0.72 O ATOM 743 CB ASP A 51 1.668 -1.208 -13.387 1.00 0.80 C ATOM 744 CG ASP A 51 1.978 -2.310 -12.368 1.00 2.06 C ATOM 745 OD1 ASP A 51 1.812 -2.048 -11.153 1.00 3.17 O ATOM 746 OD2 ASP A 51 2.380 -3.401 -12.822 1.00 3.19 O ATOM 0 H ASP A 51 1.453 1.021 -14.617 1.00 0.77 H new ATOM 0 HA ASP A 51 0.824 0.114 -11.970 1.00 0.60 H new ATOM 0 HB2 ASP A 51 0.711 -1.409 -13.868 1.00 0.80 H new ATOM 0 HB3 ASP A 51 2.425 -1.208 -14.172 1.00 0.80 H new ATOM 751 N ILE A 52 2.940 0.549 -10.709 1.00 0.57 N ATOM 752 CA ILE A 52 4.121 0.565 -9.864 1.00 0.63 C ATOM 753 C ILE A 52 3.896 -0.391 -8.691 1.00 0.64 C ATOM 754 O ILE A 52 4.534 -0.251 -7.649 1.00 0.72 O ATOM 755 CB ILE A 52 4.424 2.005 -9.393 1.00 0.67 C ATOM 756 CG1 ILE A 52 3.201 2.756 -8.831 1.00 0.53 C ATOM 757 CG2 ILE A 52 5.004 2.832 -10.548 1.00 0.81 C ATOM 758 CD1 ILE A 52 2.550 2.099 -7.611 1.00 0.59 C ATOM 0 H ILE A 52 2.070 0.616 -10.180 1.00 0.57 H new ATOM 0 HA ILE A 52 4.993 0.227 -10.423 1.00 0.63 H new ATOM 0 HB ILE A 52 5.142 1.894 -8.580 1.00 0.67 H new ATOM 0 HG12 ILE A 52 3.505 3.768 -8.562 1.00 0.53 H new ATOM 0 HG13 ILE A 52 2.454 2.847 -9.619 1.00 0.53 H new ATOM 0 HG21 ILE A 52 5.213 3.844 -10.202 1.00 0.81 H new ATOM 0 HG22 ILE A 52 5.927 2.371 -10.898 1.00 0.81 H new ATOM 0 HG23 ILE A 52 4.284 2.869 -11.366 1.00 0.81 H new ATOM 0 HD11 ILE A 52 1.699 2.698 -7.286 1.00 0.59 H new ATOM 0 HD12 ILE A 52 2.210 1.098 -7.875 1.00 0.59 H new ATOM 0 HD13 ILE A 52 3.277 2.033 -6.802 1.00 0.59 H new ATOM 770 N ARG A 53 2.954 -1.336 -8.786 1.00 0.62 N ATOM 771 CA ARG A 53 2.465 -1.946 -7.559 1.00 0.82 C ATOM 772 C ARG A 53 3.542 -2.739 -6.869 1.00 0.73 C ATOM 773 O ARG A 53 3.711 -2.641 -5.666 1.00 0.84 O ATOM 774 CB ARG A 53 1.400 -3.002 -7.793 1.00 0.83 C ATOM 775 CG ARG A 53 0.064 -2.536 -8.248 1.00 0.82 C ATOM 776 CD ARG A 53 -0.735 -3.772 -8.708 1.00 0.59 C ATOM 777 NE ARG A 53 -0.936 -4.840 -7.719 1.00 1.55 N ATOM 778 CZ ARG A 53 -1.977 -5.686 -7.694 1.00 2.51 C ATOM 779 NH1 ARG A 53 -2.504 -6.138 -8.833 1.00 2.94 N ATOM 780 NH2 ARG A 53 -2.509 -6.076 -6.533 1.00 3.93 N ATOM 0 H ARG A 53 2.537 -1.677 -9.652 1.00 0.62 H new ATOM 0 HA ARG A 53 2.094 -1.095 -6.988 1.00 0.82 H new ATOM 0 HB2 ARG A 53 1.781 -3.707 -8.532 1.00 0.83 H new ATOM 0 HB3 ARG A 53 1.265 -3.556 -6.864 1.00 0.83 H new ATOM 0 HG2 ARG A 53 -0.457 -2.023 -7.440 1.00 0.82 H new ATOM 0 HG3 ARG A 53 0.166 -1.822 -9.065 1.00 0.82 H new ATOM 0 HD2 ARG A 53 -1.715 -3.435 -9.048 1.00 0.59 H new ATOM 0 HD3 ARG A 53 -0.228 -4.201 -9.572 1.00 0.59 H new ATOM 0 HE ARG A 53 -0.227 -4.947 -6.993 1.00 1.55 H new ATOM 0 HH11 ARG A 53 -2.116 -5.841 -9.728 1.00 2.94 H new ATOM 0 HH12 ARG A 53 -3.295 -6.781 -8.809 1.00 2.94 H new ATOM 0 HH21 ARG A 53 -2.124 -5.730 -5.654 1.00 3.93 H new ATOM 0 HH22 ARG A 53 -3.300 -6.720 -6.525 1.00 3.93 H new ATOM 794 N ALA A 54 4.245 -3.544 -7.654 1.00 0.53 N ATOM 795 CA ALA A 54 5.400 -4.310 -7.215 1.00 0.44 C ATOM 796 C ALA A 54 6.343 -3.422 -6.404 1.00 0.30 C ATOM 797 O ALA A 54 7.037 -3.893 -5.501 1.00 0.25 O ATOM 798 CB ALA A 54 6.118 -4.885 -8.440 1.00 0.48 C ATOM 0 H ALA A 54 4.021 -3.685 -8.639 1.00 0.53 H new ATOM 0 HA ALA A 54 5.074 -5.130 -6.576 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.985 -5.461 -8.117 1.00 0.48 H new ATOM 0 HB2 ALA A 54 5.436 -5.534 -8.990 1.00 0.48 H new ATOM 0 HB3 ALA A 54 6.444 -4.070 -9.086 1.00 0.48 H new ATOM 804 N GLN A 55 6.342 -2.121 -6.709 1.00 0.30 N ATOM 805 CA GLN A 55 7.203 -1.174 -6.034 1.00 0.26 C ATOM 806 C GLN A 55 6.635 -0.911 -4.641 1.00 0.26 C ATOM 807 O GLN A 55 7.352 -1.018 -3.646 1.00 0.25 O ATOM 808 CB GLN A 55 7.348 0.081 -6.906 1.00 0.32 C ATOM 809 CG GLN A 55 8.682 0.801 -6.689 1.00 0.54 C ATOM 810 CD GLN A 55 8.789 2.075 -7.526 1.00 1.61 C ATOM 811 OE1 GLN A 55 9.095 3.142 -7.007 1.00 3.09 O ATOM 812 NE2 GLN A 55 8.531 1.989 -8.828 1.00 1.26 N ATOM 0 H GLN A 55 5.746 -1.708 -7.426 1.00 0.30 H new ATOM 0 HA GLN A 55 8.212 -1.562 -5.892 1.00 0.26 H new ATOM 0 HB2 GLN A 55 7.257 -0.199 -7.956 1.00 0.32 H new ATOM 0 HB3 GLN A 55 6.530 0.767 -6.687 1.00 0.32 H new ATOM 0 HG2 GLN A 55 8.792 1.051 -5.634 1.00 0.54 H new ATOM 0 HG3 GLN A 55 9.502 0.130 -6.945 1.00 0.54 H new ATOM 0 HE21 GLN A 55 8.278 1.091 -9.240 1.00 1.26 H new ATOM 0 HE22 GLN A 55 8.586 2.821 -9.415 1.00 1.26 H new ATOM 821 N VAL A 56 5.331 -0.638 -4.571 1.00 0.35 N ATOM 822 CA VAL A 56 4.616 -0.486 -3.314 1.00 0.26 C ATOM 823 C VAL A 56 4.755 -1.766 -2.473 1.00 0.22 C ATOM 824 O VAL A 56 5.179 -1.716 -1.327 1.00 0.21 O ATOM 825 CB VAL A 56 3.140 -0.155 -3.580 1.00 0.31 C ATOM 826 CG1 VAL A 56 2.262 -0.449 -2.359 1.00 0.36 C ATOM 827 CG2 VAL A 56 2.986 1.319 -3.944 1.00 0.57 C ATOM 0 H VAL A 56 4.742 -0.516 -5.395 1.00 0.35 H new ATOM 0 HA VAL A 56 5.050 0.341 -2.752 1.00 0.26 H new ATOM 0 HB VAL A 56 2.815 -0.786 -4.407 1.00 0.31 H new ATOM 0 HG11 VAL A 56 1.225 -0.201 -2.588 1.00 0.36 H new ATOM 0 HG12 VAL A 56 2.335 -1.506 -2.105 1.00 0.36 H new ATOM 0 HG13 VAL A 56 2.600 0.151 -1.515 1.00 0.36 H new ATOM 0 HG21 VAL A 56 1.935 1.540 -4.130 1.00 0.57 H new ATOM 0 HG22 VAL A 56 3.347 1.937 -3.121 1.00 0.57 H new ATOM 0 HG23 VAL A 56 3.566 1.535 -4.841 1.00 0.57 H new ATOM 837 N GLU A 57 4.378 -2.921 -3.025 1.00 0.28 N ATOM 838 CA GLU A 57 4.486 -4.221 -2.382 1.00 0.36 C ATOM 839 C GLU A 57 5.890 -4.424 -1.827 1.00 0.37 C ATOM 840 O GLU A 57 6.007 -4.682 -0.634 1.00 0.46 O ATOM 841 CB GLU A 57 4.035 -5.318 -3.347 1.00 0.55 C ATOM 842 CG GLU A 57 4.647 -6.700 -3.085 1.00 0.66 C ATOM 843 CD GLU A 57 3.835 -7.844 -3.685 1.00 1.73 C ATOM 844 OE1 GLU A 57 2.617 -7.648 -3.907 1.00 3.23 O ATOM 845 OE2 GLU A 57 4.459 -8.908 -3.875 1.00 2.14 O ATOM 0 H GLU A 57 3.977 -2.973 -3.962 1.00 0.28 H new ATOM 0 HA GLU A 57 3.817 -4.273 -1.523 1.00 0.36 H new ATOM 0 HB2 GLU A 57 2.949 -5.402 -3.297 1.00 0.55 H new ATOM 0 HB3 GLU A 57 4.285 -5.013 -4.363 1.00 0.55 H new ATOM 0 HG2 GLU A 57 5.657 -6.726 -3.495 1.00 0.66 H new ATOM 0 HG3 GLU A 57 4.736 -6.852 -2.009 1.00 0.66 H new ATOM 852 N SER A 58 6.949 -4.275 -2.633 1.00 0.34 N ATOM 853 CA SER A 58 8.306 -4.394 -2.101 1.00 0.42 C ATOM 854 C SER A 58 8.498 -3.408 -0.942 1.00 0.38 C ATOM 855 O SER A 58 8.957 -3.798 0.129 1.00 0.50 O ATOM 856 CB SER A 58 9.367 -4.213 -3.195 1.00 0.51 C ATOM 857 OG SER A 58 10.661 -4.617 -2.743 1.00 0.83 O ATOM 0 H SER A 58 6.893 -4.077 -3.632 1.00 0.34 H new ATOM 0 HA SER A 58 8.440 -5.405 -1.716 1.00 0.42 H new ATOM 0 HB2 SER A 58 9.089 -4.796 -4.073 1.00 0.51 H new ATOM 0 HB3 SER A 58 9.398 -3.168 -3.503 1.00 0.51 H new ATOM 0 HG SER A 58 11.313 -4.491 -3.463 1.00 0.83 H new ATOM 863 N ALA A 59 8.122 -2.140 -1.131 1.00 0.26 N ATOM 864 CA ALA A 59 8.239 -1.114 -0.101 1.00 0.25 C ATOM 865 C ALA A 59 7.578 -1.539 1.207 1.00 0.22 C ATOM 866 O ALA A 59 8.164 -1.388 2.272 1.00 0.26 O ATOM 867 CB ALA A 59 7.602 0.191 -0.577 1.00 0.25 C ATOM 0 H ALA A 59 7.727 -1.799 -2.007 1.00 0.26 H new ATOM 0 HA ALA A 59 9.303 -0.968 0.083 1.00 0.25 H new ATOM 0 HB1 ALA A 59 7.697 0.947 0.202 1.00 0.25 H new ATOM 0 HB2 ALA A 59 8.107 0.534 -1.480 1.00 0.25 H new ATOM 0 HB3 ALA A 59 6.547 0.023 -0.793 1.00 0.25 H new ATOM 873 N LEU A 60 6.354 -2.060 1.131 1.00 0.19 N ATOM 874 CA LEU A 60 5.560 -2.482 2.269 1.00 0.21 C ATOM 875 C LEU A 60 6.239 -3.676 2.923 1.00 0.21 C ATOM 876 O LEU A 60 6.415 -3.730 4.142 1.00 0.26 O ATOM 877 CB LEU A 60 4.174 -2.890 1.763 1.00 0.21 C ATOM 878 CG LEU A 60 3.290 -1.724 1.341 1.00 0.46 C ATOM 879 CD1 LEU A 60 2.102 -2.248 0.529 1.00 1.14 C ATOM 880 CD2 LEU A 60 2.774 -0.966 2.559 1.00 0.91 C ATOM 0 H LEU A 60 5.877 -2.202 0.241 1.00 0.19 H new ATOM 0 HA LEU A 60 5.466 -1.675 2.996 1.00 0.21 H new ATOM 0 HB2 LEU A 60 4.294 -3.564 0.915 1.00 0.21 H new ATOM 0 HB3 LEU A 60 3.665 -3.451 2.547 1.00 0.21 H new ATOM 0 HG LEU A 60 3.885 -1.043 0.732 1.00 0.46 H new ATOM 0 HD11 LEU A 60 1.470 -1.412 0.228 1.00 1.14 H new ATOM 0 HD12 LEU A 60 2.467 -2.765 -0.358 1.00 1.14 H new ATOM 0 HD13 LEU A 60 1.521 -2.940 1.139 1.00 1.14 H new ATOM 0 HD21 LEU A 60 2.145 -0.138 2.233 1.00 0.91 H new ATOM 0 HD22 LEU A 60 2.190 -1.640 3.186 1.00 0.91 H new ATOM 0 HD23 LEU A 60 3.617 -0.578 3.130 1.00 0.91 H new ATOM 892 N GLN A 61 6.637 -4.627 2.080 1.00 0.23 N ATOM 893 CA GLN A 61 7.444 -5.758 2.513 1.00 0.29 C ATOM 894 C GLN A 61 8.642 -5.298 3.352 1.00 0.30 C ATOM 895 O GLN A 61 8.842 -5.789 4.460 1.00 0.35 O ATOM 896 CB GLN A 61 7.858 -6.600 1.298 1.00 0.34 C ATOM 897 CG GLN A 61 7.055 -7.906 1.239 1.00 0.67 C ATOM 898 CD GLN A 61 7.105 -8.529 -0.152 1.00 1.13 C ATOM 899 OE1 GLN A 61 8.178 -8.665 -0.735 1.00 2.44 O ATOM 900 NE2 GLN A 61 5.942 -8.887 -0.693 1.00 0.91 N ATOM 0 H GLN A 61 6.410 -4.633 1.086 1.00 0.23 H new ATOM 0 HA GLN A 61 6.846 -6.395 3.165 1.00 0.29 H new ATOM 0 HB2 GLN A 61 7.699 -6.029 0.383 1.00 0.34 H new ATOM 0 HB3 GLN A 61 8.923 -6.825 1.352 1.00 0.34 H new ATOM 0 HG2 GLN A 61 7.451 -8.611 1.969 1.00 0.67 H new ATOM 0 HG3 GLN A 61 6.019 -7.710 1.514 1.00 0.67 H new ATOM 0 HE21 GLN A 61 5.075 -8.756 -0.172 1.00 0.91 H new ATOM 0 HE22 GLN A 61 5.918 -9.293 -1.629 1.00 0.91 H new ATOM 909 N LYS A 62 9.433 -4.347 2.846 1.00 0.30 N ATOM 910 CA LYS A 62 10.591 -3.833 3.575 1.00 0.33 C ATOM 911 C LYS A 62 10.162 -3.043 4.819 1.00 0.33 C ATOM 912 O LYS A 62 10.787 -3.169 5.869 1.00 0.39 O ATOM 913 CB LYS A 62 11.489 -2.987 2.656 1.00 0.41 C ATOM 914 CG LYS A 62 12.527 -3.821 1.883 1.00 2.00 C ATOM 915 CD LYS A 62 11.861 -4.754 0.867 1.00 4.13 C ATOM 916 CE LYS A 62 12.854 -5.535 0.005 1.00 5.92 C ATOM 917 NZ LYS A 62 12.142 -6.297 -1.047 1.00 8.01 N ATOM 0 H LYS A 62 9.290 -3.918 1.932 1.00 0.30 H new ATOM 0 HA LYS A 62 11.176 -4.687 3.917 1.00 0.33 H new ATOM 0 HB2 LYS A 62 10.864 -2.448 1.944 1.00 0.41 H new ATOM 0 HB3 LYS A 62 12.008 -2.239 3.255 1.00 0.41 H new ATOM 0 HG2 LYS A 62 13.218 -3.154 1.367 1.00 2.00 H new ATOM 0 HG3 LYS A 62 13.117 -4.410 2.585 1.00 2.00 H new ATOM 0 HD2 LYS A 62 11.222 -5.459 1.399 1.00 4.13 H new ATOM 0 HD3 LYS A 62 11.214 -4.166 0.217 1.00 4.13 H new ATOM 0 HE2 LYS A 62 13.565 -4.848 -0.454 1.00 5.92 H new ATOM 0 HE3 LYS A 62 13.429 -6.218 0.631 1.00 5.92 H new ATOM 0 HZ1 LYS A 62 12.833 -6.808 -1.633 1.00 8.01 H new ATOM 0 HZ2 LYS A 62 11.493 -6.978 -0.603 1.00 8.01 H new ATOM 0 HZ3 LYS A 62 11.599 -5.641 -1.644 1.00 8.01 H new ATOM 931 N ALA A 63 9.120 -2.215 4.700 1.00 0.33 N ATOM 932 CA ALA A 63 8.615 -1.381 5.784 1.00 0.44 C ATOM 933 C ALA A 63 8.226 -2.238 6.986 1.00 0.50 C ATOM 934 O ALA A 63 8.499 -1.859 8.124 1.00 0.61 O ATOM 935 CB ALA A 63 7.425 -0.548 5.300 1.00 0.47 C ATOM 0 H ALA A 63 8.598 -2.107 3.831 1.00 0.33 H new ATOM 0 HA ALA A 63 9.407 -0.701 6.098 1.00 0.44 H new ATOM 0 HB1 ALA A 63 7.057 0.070 6.119 1.00 0.47 H new ATOM 0 HB2 ALA A 63 7.740 0.091 4.475 1.00 0.47 H new ATOM 0 HB3 ALA A 63 6.630 -1.212 4.961 1.00 0.47 H new ATOM 941 N GLY A 64 7.600 -3.386 6.724 1.00 0.54 N ATOM 942 CA GLY A 64 7.353 -4.413 7.723 1.00 0.65 C ATOM 943 C GLY A 64 5.915 -4.905 7.664 1.00 0.62 C ATOM 944 O GLY A 64 5.243 -4.965 8.691 1.00 0.83 O ATOM 0 H GLY A 64 7.248 -3.627 5.798 1.00 0.54 H new ATOM 0 HA2 GLY A 64 8.033 -5.250 7.564 1.00 0.65 H new ATOM 0 HA3 GLY A 64 7.564 -4.016 8.716 1.00 0.65 H new ATOM 948 N TYR A 65 5.449 -5.277 6.469 1.00 0.43 N ATOM 949 CA TYR A 65 4.164 -5.934 6.286 1.00 0.42 C ATOM 950 C TYR A 65 4.358 -7.142 5.372 1.00 0.43 C ATOM 951 O TYR A 65 5.463 -7.412 4.906 1.00 1.05 O ATOM 952 CB TYR A 65 3.137 -4.949 5.707 1.00 0.52 C ATOM 953 CG TYR A 65 3.113 -3.595 6.387 1.00 0.68 C ATOM 954 CD1 TYR A 65 2.607 -3.482 7.693 1.00 1.69 C ATOM 955 CD2 TYR A 65 3.694 -2.475 5.763 1.00 2.20 C ATOM 956 CE1 TYR A 65 2.714 -2.266 8.384 1.00 1.72 C ATOM 957 CE2 TYR A 65 3.756 -1.244 6.437 1.00 2.32 C ATOM 958 CZ TYR A 65 3.281 -1.146 7.755 1.00 1.05 C ATOM 959 OH TYR A 65 3.370 0.037 8.422 1.00 1.27 O ATOM 0 H TYR A 65 5.960 -5.127 5.599 1.00 0.43 H new ATOM 0 HA TYR A 65 3.778 -6.275 7.246 1.00 0.42 H new ATOM 0 HB2 TYR A 65 3.347 -4.806 4.647 1.00 0.52 H new ATOM 0 HB3 TYR A 65 2.145 -5.395 5.778 1.00 0.52 H new ATOM 0 HD1 TYR A 65 2.136 -4.331 8.165 1.00 1.69 H new ATOM 0 HD2 TYR A 65 4.093 -2.562 4.763 1.00 2.20 H new ATOM 0 HE1 TYR A 65 2.360 -2.191 9.401 1.00 1.72 H new ATOM 0 HE2 TYR A 65 4.167 -0.376 5.943 1.00 2.32 H new ATOM 0 HH TYR A 65 2.681 0.651 8.092 1.00 1.27 H new ATOM 969 N SER A 66 3.272 -7.851 5.087 1.00 0.66 N ATOM 970 CA SER A 66 3.218 -8.922 4.120 1.00 0.60 C ATOM 971 C SER A 66 1.860 -8.783 3.455 1.00 0.45 C ATOM 972 O SER A 66 0.868 -8.564 4.154 1.00 0.53 O ATOM 973 CB SER A 66 3.356 -10.276 4.821 1.00 0.71 C ATOM 974 OG SER A 66 2.399 -10.398 5.855 1.00 1.63 O ATOM 0 H SER A 66 2.376 -7.683 5.544 1.00 0.66 H new ATOM 0 HA SER A 66 4.027 -8.868 3.392 1.00 0.60 H new ATOM 0 HB2 SER A 66 3.224 -11.081 4.098 1.00 0.71 H new ATOM 0 HB3 SER A 66 4.360 -10.378 5.233 1.00 0.71 H new ATOM 0 HG SER A 66 2.499 -11.269 6.292 1.00 1.63 H new ATOM 980 N LEU A 67 1.836 -8.893 2.133 1.00 0.46 N ATOM 981 CA LEU A 67 0.656 -8.809 1.313 1.00 0.47 C ATOM 982 C LEU A 67 0.905 -9.656 0.080 1.00 0.55 C ATOM 983 O LEU A 67 2.016 -10.148 -0.116 1.00 0.70 O ATOM 984 CB LEU A 67 0.276 -7.357 0.994 1.00 0.51 C ATOM 985 CG LEU A 67 1.308 -6.329 0.531 1.00 0.75 C ATOM 986 CD1 LEU A 67 2.431 -6.041 1.525 1.00 2.88 C ATOM 987 CD2 LEU A 67 1.856 -6.626 -0.861 1.00 1.96 C ATOM 0 H LEU A 67 2.683 -9.050 1.587 1.00 0.46 H new ATOM 0 HA LEU A 67 -0.212 -9.197 1.845 1.00 0.47 H new ATOM 0 HB2 LEU A 67 -0.494 -7.396 0.224 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -0.191 -6.951 1.891 1.00 0.51 H new ATOM 0 HG LEU A 67 0.736 -5.403 0.475 1.00 0.75 H new ATOM 0 HD11 LEU A 67 3.109 -5.300 1.103 1.00 2.88 H new ATOM 0 HD12 LEU A 67 2.006 -5.657 2.453 1.00 2.88 H new ATOM 0 HD13 LEU A 67 2.980 -6.960 1.730 1.00 2.88 H new ATOM 0 HD21 LEU A 67 2.584 -5.863 -1.136 1.00 1.96 H new ATOM 0 HD22 LEU A 67 2.338 -7.604 -0.861 1.00 1.96 H new ATOM 0 HD23 LEU A 67 1.038 -6.624 -1.582 1.00 1.96 H new ATOM 999 N ARG A 68 -0.154 -9.884 -0.694 1.00 0.63 N ATOM 1000 CA ARG A 68 -0.164 -10.758 -1.841 1.00 0.70 C ATOM 1001 C ARG A 68 -1.041 -10.010 -2.826 1.00 0.84 C ATOM 1002 O ARG A 68 -2.188 -9.721 -2.484 1.00 1.24 O ATOM 1003 CB ARG A 68 -0.755 -12.138 -1.482 1.00 0.92 C ATOM 1004 CG ARG A 68 -0.648 -12.487 0.012 1.00 0.51 C ATOM 1005 CD ARG A 68 -0.927 -13.971 0.296 1.00 1.11 C ATOM 1006 NE ARG A 68 0.323 -14.718 0.519 1.00 1.68 N ATOM 1007 CZ ARG A 68 0.393 -15.971 0.998 1.00 2.52 C ATOM 1008 NH1 ARG A 68 -0.729 -16.686 1.151 1.00 3.38 N ATOM 1009 NH2 ARG A 68 1.575 -16.503 1.330 1.00 3.27 N ATOM 0 H ARG A 68 -1.058 -9.443 -0.524 1.00 0.63 H new ATOM 0 HA ARG A 68 0.830 -10.972 -2.235 1.00 0.70 H new ATOM 0 HB2 ARG A 68 -1.804 -12.162 -1.777 1.00 0.92 H new ATOM 0 HB3 ARG A 68 -0.243 -12.905 -2.063 1.00 0.92 H new ATOM 0 HG2 ARG A 68 0.350 -12.234 0.369 1.00 0.51 H new ATOM 0 HG3 ARG A 68 -1.352 -11.875 0.575 1.00 0.51 H new ATOM 0 HD2 ARG A 68 -1.568 -14.061 1.173 1.00 1.11 H new ATOM 0 HD3 ARG A 68 -1.470 -14.408 -0.542 1.00 1.11 H new ATOM 0 HE ARG A 68 1.200 -14.249 0.293 1.00 1.68 H new ATOM 0 HH11 ARG A 68 -1.631 -16.279 0.904 1.00 3.38 H new ATOM 0 HH12 ARG A 68 -0.682 -17.638 1.514 1.00 3.38 H new ATOM 0 HH21 ARG A 68 2.429 -15.957 1.220 1.00 3.27 H new ATOM 0 HH22 ARG A 68 1.622 -17.455 1.693 1.00 3.27 H new ATOM 1023 N ASP A 69 -0.468 -9.612 -3.960 1.00 0.68 N ATOM 1024 CA ASP A 69 -1.143 -8.977 -5.075 1.00 0.93 C ATOM 1025 C ASP A 69 -2.611 -9.367 -5.193 1.00 0.87 C ATOM 1026 O ASP A 69 -2.978 -10.440 -5.664 1.00 1.12 O ATOM 1027 CB ASP A 69 -0.393 -9.193 -6.393 1.00 1.26 C ATOM 1028 CG ASP A 69 -0.320 -10.651 -6.841 1.00 2.36 C ATOM 1029 OD1 ASP A 69 0.103 -11.489 -6.015 1.00 3.33 O ATOM 1030 OD2 ASP A 69 -0.656 -10.887 -8.021 1.00 3.16 O ATOM 0 H ASP A 69 0.531 -9.733 -4.128 1.00 0.68 H new ATOM 0 HA ASP A 69 -1.132 -7.909 -4.859 1.00 0.93 H new ATOM 0 HB2 ASP A 69 -0.879 -8.609 -7.174 1.00 1.26 H new ATOM 0 HB3 ASP A 69 0.620 -8.806 -6.289 1.00 1.26 H new ATOM 1035 N GLU A 70 -3.468 -8.452 -4.749 1.00 0.74 N ATOM 1036 CA GLU A 70 -4.894 -8.620 -4.862 1.00 0.81 C ATOM 1037 C GLU A 70 -5.302 -8.249 -6.292 1.00 0.95 C ATOM 1038 O GLU A 70 -4.474 -7.798 -7.095 1.00 1.06 O ATOM 1039 CB GLU A 70 -5.545 -7.705 -3.825 1.00 0.66 C ATOM 1040 CG GLU A 70 -6.793 -8.293 -3.176 1.00 0.80 C ATOM 1041 CD GLU A 70 -7.714 -7.158 -2.767 1.00 2.38 C ATOM 1042 OE1 GLU A 70 -7.317 -6.422 -1.839 1.00 3.73 O ATOM 1043 OE2 GLU A 70 -8.748 -7.006 -3.452 1.00 3.11 O ATOM 0 H GLU A 70 -3.184 -7.579 -4.304 1.00 0.74 H new ATOM 0 HA GLU A 70 -5.213 -9.645 -4.673 1.00 0.81 H new ATOM 0 HB2 GLU A 70 -4.816 -7.478 -3.047 1.00 0.66 H new ATOM 0 HB3 GLU A 70 -5.807 -6.761 -4.302 1.00 0.66 H new ATOM 0 HG2 GLU A 70 -7.302 -8.959 -3.872 1.00 0.80 H new ATOM 0 HG3 GLU A 70 -6.520 -8.890 -2.306 1.00 0.80 H new ATOM 1050 N GLN A 71 -6.590 -8.361 -6.598 1.00 1.05 N ATOM 1051 CA GLN A 71 -7.109 -7.793 -7.830 1.00 1.06 C ATOM 1052 C GLN A 71 -6.981 -6.262 -7.808 1.00 0.94 C ATOM 1053 O GLN A 71 -6.699 -5.652 -6.775 1.00 0.91 O ATOM 1054 CB GLN A 71 -8.538 -8.280 -8.115 1.00 1.16 C ATOM 1055 CG GLN A 71 -9.539 -8.131 -6.957 1.00 2.40 C ATOM 1056 CD GLN A 71 -9.635 -9.362 -6.059 1.00 3.41 C ATOM 1057 OE1 GLN A 71 -9.726 -10.487 -6.539 1.00 3.98 O ATOM 1058 NE2 GLN A 71 -9.622 -9.175 -4.747 1.00 4.19 N ATOM 0 H GLN A 71 -7.283 -8.833 -6.017 1.00 1.05 H new ATOM 0 HA GLN A 71 -6.505 -8.149 -8.665 1.00 1.06 H new ATOM 0 HB2 GLN A 71 -8.923 -7.733 -8.976 1.00 1.16 H new ATOM 0 HB3 GLN A 71 -8.494 -9.331 -8.399 1.00 1.16 H new ATOM 0 HG2 GLN A 71 -9.252 -7.272 -6.350 1.00 2.40 H new ATOM 0 HG3 GLN A 71 -10.525 -7.916 -7.368 1.00 2.40 H new ATOM 0 HE21 GLN A 71 -9.546 -8.231 -4.367 1.00 4.19 H new ATOM 0 HE22 GLN A 71 -9.688 -9.975 -4.117 1.00 4.19 H new