USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=14 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 4 THR OG1 : rot 6:sc= 0.697 USER MOD Set 1.2: A 6 TYR OH : rot 170:sc= 1.19 USER MOD Single : A 7 SER OG : rot 125:sc= 1.11 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 172:sc= -0.879 (180deg=-0.996) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -140:sc= -0.271 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.036) USER MOD Single : A 24 ASN : amide:sc= 1.01 K(o=1,f=-0.14) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0422 F(o=-0.61,f=-0.042) USER MOD Single : A 33 ASN : amide:sc= 0.776 K(o=0.78,f=-0.053) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 41 THR OG1 : rot -140:sc= -0.0179 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -1.07 F(o=-1.8,f=-1.1) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.41 K(o=0.41,f=-4!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 37:sc= 0.0471 USER MOD Single : A 71 GLN : amide:sc= 1.76 K(o=1.8,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 4 -5.154 4.071 -12.781 1.00 0.51 N ATOM 20 CA THR A 4 -5.548 2.720 -12.415 1.00 0.42 C ATOM 21 C THR A 4 -5.562 2.641 -10.902 1.00 0.41 C ATOM 22 O THR A 4 -4.760 3.292 -10.233 1.00 0.52 O ATOM 23 CB THR A 4 -4.571 1.670 -12.967 1.00 0.48 C ATOM 24 OG1 THR A 4 -3.763 2.228 -13.969 1.00 1.13 O ATOM 25 CG2 THR A 4 -5.297 0.433 -13.501 1.00 0.79 C ATOM 0 HA THR A 4 -6.530 2.508 -12.839 1.00 0.42 H new ATOM 0 HB THR A 4 -3.941 1.349 -12.137 1.00 0.48 H new ATOM 0 HG1 THR A 4 -3.939 3.190 -14.033 1.00 1.13 H new ATOM 0 HG21 THR A 4 -4.567 -0.282 -13.881 1.00 0.79 H new ATOM 0 HG22 THR A 4 -5.871 -0.027 -12.697 1.00 0.79 H new ATOM 0 HG23 THR A 4 -5.971 0.726 -14.306 1.00 0.79 H new ATOM 33 N ARG A 5 -6.448 1.793 -10.398 1.00 0.36 N ATOM 34 CA ARG A 5 -6.526 1.429 -9.004 1.00 0.35 C ATOM 35 C ARG A 5 -5.837 0.081 -8.836 1.00 0.36 C ATOM 36 O ARG A 5 -5.947 -0.769 -9.716 1.00 0.72 O ATOM 37 CB ARG A 5 -7.995 1.322 -8.609 1.00 0.50 C ATOM 38 CG ARG A 5 -8.124 0.947 -7.131 1.00 0.60 C ATOM 39 CD ARG A 5 -9.565 0.586 -6.816 1.00 0.96 C ATOM 40 NE ARG A 5 -10.399 1.794 -6.807 1.00 1.54 N ATOM 41 CZ ARG A 5 -11.733 1.797 -6.674 1.00 2.16 C ATOM 42 NH1 ARG A 5 -12.390 0.634 -6.581 1.00 2.40 N ATOM 43 NH2 ARG A 5 -12.395 2.957 -6.627 1.00 3.29 N ATOM 0 H ARG A 5 -7.151 1.329 -10.973 1.00 0.36 H new ATOM 0 HA ARG A 5 -6.042 2.173 -8.372 1.00 0.35 H new ATOM 0 HB2 ARG A 5 -8.498 2.271 -8.795 1.00 0.50 H new ATOM 0 HB3 ARG A 5 -8.490 0.572 -9.226 1.00 0.50 H new ATOM 0 HG2 ARG A 5 -7.470 0.106 -6.901 1.00 0.60 H new ATOM 0 HG3 ARG A 5 -7.803 1.780 -6.506 1.00 0.60 H new ATOM 0 HD2 ARG A 5 -9.941 -0.119 -7.557 1.00 0.96 H new ATOM 0 HD3 ARG A 5 -9.620 0.090 -5.847 1.00 0.96 H new ATOM 0 HE ARG A 5 -9.931 2.694 -6.909 1.00 1.54 H new ATOM 0 HH11 ARG A 5 -11.876 -0.246 -6.612 1.00 2.40 H new ATOM 0 HH12 ARG A 5 -13.405 0.628 -6.480 1.00 2.40 H new ATOM 0 HH21 ARG A 5 -11.885 3.838 -6.692 1.00 3.29 H new ATOM 0 HH22 ARG A 5 -13.410 2.961 -6.526 1.00 3.29 H new ATOM 57 N TYR A 6 -5.164 -0.105 -7.702 1.00 0.24 N ATOM 58 CA TYR A 6 -4.593 -1.358 -7.239 1.00 0.26 C ATOM 59 C TYR A 6 -4.999 -1.605 -5.794 1.00 0.26 C ATOM 60 O TYR A 6 -4.890 -0.676 -4.996 1.00 0.35 O ATOM 61 CB TYR A 6 -3.082 -1.302 -7.410 1.00 0.28 C ATOM 62 CG TYR A 6 -2.620 -0.822 -8.764 1.00 0.32 C ATOM 63 CD1 TYR A 6 -3.121 -1.446 -9.914 1.00 1.69 C ATOM 64 CD2 TYR A 6 -1.724 0.253 -8.883 1.00 1.66 C ATOM 65 CE1 TYR A 6 -2.775 -0.975 -11.183 1.00 1.67 C ATOM 66 CE2 TYR A 6 -1.294 0.657 -10.157 1.00 1.75 C ATOM 67 CZ TYR A 6 -1.810 0.034 -11.307 1.00 0.59 C ATOM 68 OH TYR A 6 -1.464 0.473 -12.546 1.00 0.78 O ATOM 0 H TYR A 6 -4.996 0.660 -7.049 1.00 0.24 H new ATOM 0 HA TYR A 6 -4.971 -2.194 -7.828 1.00 0.26 H new ATOM 0 HB2 TYR A 6 -2.667 -0.645 -6.645 1.00 0.28 H new ATOM 0 HB3 TYR A 6 -2.672 -2.296 -7.232 1.00 0.28 H new ATOM 0 HD1 TYR A 6 -3.779 -2.297 -9.819 1.00 1.69 H new ATOM 0 HD2 TYR A 6 -1.368 0.765 -8.001 1.00 1.66 H new ATOM 0 HE1 TYR A 6 -3.248 -1.386 -12.063 1.00 1.67 H new ATOM 0 HE2 TYR A 6 -0.565 1.448 -10.254 1.00 1.75 H new ATOM 0 HH TYR A 6 -0.909 1.277 -12.465 1.00 0.78 H new ATOM 78 N SER A 7 -5.464 -2.818 -5.450 1.00 0.29 N ATOM 79 CA SER A 7 -5.753 -3.205 -4.071 1.00 0.31 C ATOM 80 C SER A 7 -4.724 -4.218 -3.561 1.00 0.30 C ATOM 81 O SER A 7 -4.086 -4.907 -4.360 1.00 0.31 O ATOM 82 CB SER A 7 -7.196 -3.715 -3.944 1.00 0.43 C ATOM 83 OG SER A 7 -7.421 -4.882 -4.697 1.00 1.87 O ATOM 0 H SER A 7 -5.649 -3.557 -6.129 1.00 0.29 H new ATOM 0 HA SER A 7 -5.669 -2.325 -3.433 1.00 0.31 H new ATOM 0 HB2 SER A 7 -7.417 -3.914 -2.895 1.00 0.43 H new ATOM 0 HB3 SER A 7 -7.884 -2.936 -4.272 1.00 0.43 H new ATOM 0 HG SER A 7 -7.776 -5.585 -4.113 1.00 1.87 H new ATOM 89 N TRP A 8 -4.521 -4.277 -2.237 1.00 0.30 N ATOM 90 CA TRP A 8 -3.748 -5.332 -1.583 1.00 0.32 C ATOM 91 C TRP A 8 -4.412 -5.720 -0.268 1.00 0.32 C ATOM 92 O TRP A 8 -5.149 -4.924 0.320 1.00 0.38 O ATOM 93 CB TRP A 8 -2.321 -4.900 -1.243 1.00 0.32 C ATOM 94 CG TRP A 8 -1.426 -4.368 -2.306 1.00 0.34 C ATOM 95 CD1 TRP A 8 -0.262 -4.880 -2.731 1.00 0.47 C ATOM 96 CD2 TRP A 8 -1.519 -3.129 -3.023 1.00 0.42 C ATOM 97 NE1 TRP A 8 0.470 -3.802 -3.245 1.00 0.82 N ATOM 98 CE2 TRP A 8 -0.216 -2.593 -3.078 1.00 0.83 C ATOM 99 CE3 TRP A 8 -2.199 -2.786 -4.208 1.00 0.79 C ATOM 100 CZ2 TRP A 8 -0.142 -1.333 -3.721 1.00 1.06 C ATOM 101 CZ3 TRP A 8 -1.374 -2.434 -5.324 1.00 0.73 C ATOM 102 CH2 TRP A 8 -0.444 -1.427 -5.069 1.00 0.44 C ATOM 0 H TRP A 8 -4.894 -3.585 -1.587 1.00 0.30 H new ATOM 0 HA TRP A 8 -3.713 -6.161 -2.289 1.00 0.32 H new ATOM 0 HB2 TRP A 8 -2.391 -4.137 -0.468 1.00 0.32 H new ATOM 0 HB3 TRP A 8 -1.820 -5.760 -0.800 1.00 0.32 H new ATOM 0 HD1 TRP A 8 0.048 -5.914 -2.686 1.00 0.47 H new ATOM 0 HE1 TRP A 8 1.386 -3.887 -3.685 1.00 0.82 H new ATOM 0 HE3 TRP A 8 -3.277 -2.788 -4.271 1.00 0.79 H new ATOM 0 HZ2 TRP A 8 0.118 -0.412 -3.221 1.00 1.06 H new ATOM 0 HZ3 TRP A 8 -1.465 -2.911 -6.288 1.00 0.73 H new ATOM 0 HH2 TRP A 8 -0.011 -0.796 -5.831 1.00 0.44 H new ATOM 113 N LYS A 9 -4.069 -6.919 0.212 1.00 0.30 N ATOM 114 CA LYS A 9 -4.543 -7.506 1.455 1.00 0.30 C ATOM 115 C LYS A 9 -3.360 -7.567 2.423 1.00 0.35 C ATOM 116 O LYS A 9 -2.550 -8.484 2.306 1.00 0.59 O ATOM 117 CB LYS A 9 -5.048 -8.920 1.138 1.00 0.38 C ATOM 118 CG LYS A 9 -6.234 -8.899 0.163 1.00 1.57 C ATOM 119 CD LYS A 9 -6.342 -10.223 -0.605 1.00 1.28 C ATOM 120 CE LYS A 9 -6.574 -11.396 0.356 1.00 1.41 C ATOM 121 NZ LYS A 9 -7.041 -12.599 -0.360 1.00 2.16 N ATOM 0 H LYS A 9 -3.422 -7.531 -0.285 1.00 0.30 H new ATOM 0 HA LYS A 9 -5.348 -6.923 1.903 1.00 0.30 H new ATOM 0 HB2 LYS A 9 -4.236 -9.508 0.710 1.00 0.38 H new ATOM 0 HB3 LYS A 9 -5.347 -9.415 2.062 1.00 0.38 H new ATOM 0 HG2 LYS A 9 -7.158 -8.718 0.713 1.00 1.57 H new ATOM 0 HG3 LYS A 9 -6.115 -8.075 -0.541 1.00 1.57 H new ATOM 0 HD2 LYS A 9 -7.162 -10.167 -1.321 1.00 1.28 H new ATOM 0 HD3 LYS A 9 -5.430 -10.392 -1.177 1.00 1.28 H new ATOM 0 HE2 LYS A 9 -5.648 -11.623 0.885 1.00 1.41 H new ATOM 0 HE3 LYS A 9 -7.309 -11.111 1.108 1.00 1.41 H new ATOM 0 HZ1 LYS A 9 -7.188 -13.372 0.320 1.00 2.16 H new ATOM 0 HZ2 LYS A 9 -7.937 -12.389 -0.844 1.00 2.16 H new ATOM 0 HZ3 LYS A 9 -6.328 -12.885 -1.061 1.00 2.16 H new ATOM 135 N VAL A 10 -3.210 -6.581 3.316 1.00 0.36 N ATOM 136 CA VAL A 10 -2.062 -6.437 4.200 1.00 0.42 C ATOM 137 C VAL A 10 -2.482 -6.719 5.643 1.00 0.75 C ATOM 138 O VAL A 10 -3.572 -6.326 6.046 1.00 1.43 O ATOM 139 CB VAL A 10 -1.509 -5.016 4.077 1.00 0.66 C ATOM 140 CG1 VAL A 10 -0.088 -4.980 4.636 1.00 0.66 C ATOM 141 CG2 VAL A 10 -1.520 -4.483 2.639 1.00 0.83 C ATOM 0 H VAL A 10 -3.906 -5.846 3.442 1.00 0.36 H new ATOM 0 HA VAL A 10 -1.287 -7.150 3.917 1.00 0.42 H new ATOM 0 HB VAL A 10 -2.166 -4.363 4.652 1.00 0.66 H new ATOM 0 HG11 VAL A 10 0.311 -3.969 4.551 1.00 0.66 H new ATOM 0 HG12 VAL A 10 -0.102 -5.277 5.685 1.00 0.66 H new ATOM 0 HG13 VAL A 10 0.542 -5.668 4.072 1.00 0.66 H new ATOM 0 HG21 VAL A 10 -1.115 -3.471 2.623 1.00 0.83 H new ATOM 0 HG22 VAL A 10 -0.910 -5.128 2.007 1.00 0.83 H new ATOM 0 HG23 VAL A 10 -2.543 -4.470 2.263 1.00 0.83 H new ATOM 151 N SER A 11 -1.614 -7.371 6.423 1.00 0.53 N ATOM 152 CA SER A 11 -1.974 -8.031 7.669 1.00 0.58 C ATOM 153 C SER A 11 -0.928 -7.692 8.726 1.00 0.58 C ATOM 154 O SER A 11 -0.126 -8.538 9.113 1.00 1.23 O ATOM 155 CB SER A 11 -2.054 -9.543 7.412 1.00 0.76 C ATOM 156 OG SER A 11 -2.842 -10.181 8.400 1.00 1.04 O ATOM 0 H SER A 11 -0.623 -7.453 6.196 1.00 0.53 H new ATOM 0 HA SER A 11 -2.944 -7.691 8.033 1.00 0.58 H new ATOM 0 HB2 SER A 11 -2.481 -9.727 6.426 1.00 0.76 H new ATOM 0 HB3 SER A 11 -1.051 -9.969 7.410 1.00 0.76 H new ATOM 0 HG SER A 11 -2.881 -11.143 8.216 1.00 1.04 H new ATOM 162 N GLY A 12 -0.910 -6.439 9.176 1.00 0.62 N ATOM 163 CA GLY A 12 0.115 -5.993 10.106 1.00 0.67 C ATOM 164 C GLY A 12 -0.171 -4.600 10.644 1.00 0.59 C ATOM 165 O GLY A 12 0.064 -4.340 11.822 1.00 0.66 O ATOM 0 H GLY A 12 -1.588 -5.724 8.913 1.00 0.62 H new ATOM 0 HA2 GLY A 12 0.181 -6.696 10.937 1.00 0.67 H new ATOM 0 HA3 GLY A 12 1.084 -5.997 9.607 1.00 0.67 H new ATOM 169 N MET A 13 -0.675 -3.693 9.799 1.00 0.65 N ATOM 170 CA MET A 13 -1.054 -2.383 10.322 1.00 0.75 C ATOM 171 C MET A 13 -2.261 -2.496 11.264 1.00 0.82 C ATOM 172 O MET A 13 -3.370 -2.767 10.803 1.00 1.24 O ATOM 173 CB MET A 13 -1.278 -1.320 9.236 1.00 1.15 C ATOM 174 CG MET A 13 -2.132 -1.715 8.027 1.00 1.11 C ATOM 175 SD MET A 13 -1.240 -2.375 6.606 1.00 2.36 S ATOM 176 CE MET A 13 -2.417 -1.897 5.316 1.00 2.20 C ATOM 0 H MET A 13 -0.823 -3.833 8.800 1.00 0.65 H new ATOM 0 HA MET A 13 -0.198 -2.029 10.897 1.00 0.75 H new ATOM 0 HB2 MET A 13 -1.740 -0.452 9.705 1.00 1.15 H new ATOM 0 HB3 MET A 13 -0.302 -1.002 8.869 1.00 1.15 H new ATOM 0 HG2 MET A 13 -2.861 -2.459 8.350 1.00 1.11 H new ATOM 0 HG3 MET A 13 -2.693 -0.839 7.703 1.00 1.11 H new ATOM 0 HE1 MET A 13 -1.981 -2.091 4.336 1.00 2.20 H new ATOM 0 HE2 MET A 13 -3.334 -2.476 5.427 1.00 2.20 H new ATOM 0 HE3 MET A 13 -2.646 -0.835 5.407 1.00 2.20 H new ATOM 186 N ASP A 14 -2.044 -2.244 12.561 1.00 0.86 N ATOM 187 CA ASP A 14 -3.096 -2.156 13.563 1.00 1.04 C ATOM 188 C ASP A 14 -2.768 -1.109 14.633 1.00 0.98 C ATOM 189 O ASP A 14 -2.413 -1.454 15.757 1.00 1.33 O ATOM 190 CB ASP A 14 -3.392 -3.535 14.168 1.00 1.50 C ATOM 191 CG ASP A 14 -4.609 -3.483 15.088 1.00 2.28 C ATOM 192 OD1 ASP A 14 -5.432 -2.558 14.897 1.00 2.57 O ATOM 193 OD2 ASP A 14 -4.706 -4.383 15.948 1.00 3.46 O ATOM 0 H ASP A 14 -1.111 -2.094 12.944 1.00 0.86 H new ATOM 0 HA ASP A 14 -4.007 -1.818 13.068 1.00 1.04 H new ATOM 0 HB2 ASP A 14 -3.567 -4.256 13.369 1.00 1.50 H new ATOM 0 HB3 ASP A 14 -2.524 -3.884 14.728 1.00 1.50 H new ATOM 198 N CYS A 15 -2.856 0.184 14.285 1.00 0.91 N ATOM 199 CA CYS A 15 -2.799 1.266 15.267 1.00 1.11 C ATOM 200 C CYS A 15 -3.266 2.592 14.671 1.00 1.46 C ATOM 201 O CYS A 15 -4.249 3.159 15.136 1.00 2.89 O ATOM 202 CB CYS A 15 -1.388 1.428 15.839 1.00 1.23 C ATOM 203 SG CYS A 15 -1.384 2.867 16.935 1.00 2.53 S ATOM 0 H CYS A 15 -2.968 0.502 13.322 1.00 0.91 H new ATOM 0 HA CYS A 15 -3.476 0.991 16.075 1.00 1.11 H new ATOM 0 HB2 CYS A 15 -1.095 0.532 16.387 1.00 1.23 H new ATOM 0 HB3 CYS A 15 -0.665 1.561 15.035 1.00 1.23 H new ATOM 0 HG CYS A 15 -0.196 3.027 17.437 1.00 2.53 H new ATOM 209 N ALA A 16 -2.529 3.078 13.661 1.00 1.11 N ATOM 210 CA ALA A 16 -2.727 4.326 12.920 1.00 1.37 C ATOM 211 C ALA A 16 -1.372 4.839 12.440 1.00 1.42 C ATOM 212 O ALA A 16 -1.168 5.059 11.248 1.00 2.41 O ATOM 213 CB ALA A 16 -3.439 5.425 13.722 1.00 1.71 C ATOM 0 H ALA A 16 -1.717 2.566 13.317 1.00 1.11 H new ATOM 0 HA ALA A 16 -3.384 4.091 12.082 1.00 1.37 H new ATOM 0 HB1 ALA A 16 -3.547 6.315 13.103 1.00 1.71 H new ATOM 0 HB2 ALA A 16 -4.425 5.073 14.026 1.00 1.71 H new ATOM 0 HB3 ALA A 16 -2.852 5.668 14.607 1.00 1.71 H new ATOM 219 N ALA A 17 -0.413 4.986 13.357 1.00 1.07 N ATOM 220 CA ALA A 17 0.942 5.400 13.002 1.00 1.12 C ATOM 221 C ALA A 17 1.528 4.484 11.920 1.00 0.89 C ATOM 222 O ALA A 17 2.192 4.939 10.988 1.00 0.94 O ATOM 223 CB ALA A 17 1.822 5.400 14.254 1.00 1.36 C ATOM 0 H ALA A 17 -0.553 4.823 14.354 1.00 1.07 H new ATOM 0 HA ALA A 17 0.908 6.410 12.594 1.00 1.12 H new ATOM 0 HB1 ALA A 17 2.833 5.709 13.988 1.00 1.36 H new ATOM 0 HB2 ALA A 17 1.411 6.094 14.987 1.00 1.36 H new ATOM 0 HB3 ALA A 17 1.849 4.397 14.680 1.00 1.36 H new ATOM 229 N CYS A 18 1.236 3.187 12.031 1.00 0.71 N ATOM 230 CA CYS A 18 1.654 2.171 11.083 1.00 0.63 C ATOM 231 C CYS A 18 0.950 2.390 9.749 1.00 0.44 C ATOM 232 O CYS A 18 1.532 2.153 8.694 1.00 0.44 O ATOM 233 CB CYS A 18 1.348 0.777 11.647 1.00 0.72 C ATOM 234 SG CYS A 18 -0.415 0.604 12.033 1.00 3.06 S ATOM 0 H CYS A 18 0.688 2.812 12.805 1.00 0.71 H new ATOM 0 HA CYS A 18 2.729 2.244 10.918 1.00 0.63 H new ATOM 0 HB2 CYS A 18 1.642 0.016 10.924 1.00 0.72 H new ATOM 0 HB3 CYS A 18 1.939 0.607 12.547 1.00 0.72 H new ATOM 0 HG CYS A 18 -0.553 -0.053 13.146 1.00 3.06 H new ATOM 240 N ALA A 19 -0.293 2.878 9.783 1.00 0.41 N ATOM 241 CA ALA A 19 -1.023 3.150 8.564 1.00 0.49 C ATOM 242 C ALA A 19 -0.301 4.238 7.774 1.00 0.49 C ATOM 243 O ALA A 19 -0.193 4.159 6.553 1.00 0.53 O ATOM 244 CB ALA A 19 -2.479 3.519 8.853 1.00 0.77 C ATOM 0 H ALA A 19 -0.803 3.088 10.641 1.00 0.41 H new ATOM 0 HA ALA A 19 -1.053 2.245 7.957 1.00 0.49 H new ATOM 0 HB1 ALA A 19 -2.997 3.717 7.915 1.00 0.77 H new ATOM 0 HB2 ALA A 19 -2.968 2.694 9.371 1.00 0.77 H new ATOM 0 HB3 ALA A 19 -2.511 4.410 9.480 1.00 0.77 H new ATOM 250 N ARG A 20 0.256 5.241 8.460 1.00 0.51 N ATOM 251 CA ARG A 20 1.019 6.241 7.766 1.00 0.58 C ATOM 252 C ARG A 20 2.230 5.604 7.092 1.00 0.46 C ATOM 253 O ARG A 20 2.481 5.862 5.922 1.00 0.44 O ATOM 254 CB ARG A 20 1.372 7.427 8.649 1.00 0.73 C ATOM 255 CG ARG A 20 0.088 8.125 9.122 1.00 0.92 C ATOM 256 CD ARG A 20 0.346 9.067 10.300 1.00 1.07 C ATOM 257 NE ARG A 20 -0.918 9.677 10.742 1.00 1.60 N ATOM 258 CZ ARG A 20 -1.138 10.245 11.939 1.00 1.89 C ATOM 259 NH1 ARG A 20 -0.139 10.349 12.822 1.00 2.54 N ATOM 260 NH2 ARG A 20 -2.356 10.704 12.247 1.00 2.53 N ATOM 0 H ARG A 20 0.187 5.367 9.470 1.00 0.51 H new ATOM 0 HA ARG A 20 0.393 6.663 6.980 1.00 0.58 H new ATOM 0 HB2 ARG A 20 1.952 7.092 9.509 1.00 0.73 H new ATOM 0 HB3 ARG A 20 1.996 8.130 8.097 1.00 0.73 H new ATOM 0 HG2 ARG A 20 -0.343 8.689 8.295 1.00 0.92 H new ATOM 0 HG3 ARG A 20 -0.646 7.374 9.413 1.00 0.92 H new ATOM 0 HD2 ARG A 20 0.801 8.517 11.123 1.00 1.07 H new ATOM 0 HD3 ARG A 20 1.052 9.844 10.007 1.00 1.07 H new ATOM 0 HE ARG A 20 -1.695 9.668 10.081 1.00 1.60 H new ATOM 0 HH11 ARG A 20 0.789 9.997 12.586 1.00 2.54 H new ATOM 0 HH12 ARG A 20 -0.305 10.780 13.731 1.00 2.54 H new ATOM 0 HH21 ARG A 20 -3.117 10.623 11.573 1.00 2.53 H new ATOM 0 HH22 ARG A 20 -2.524 11.135 13.156 1.00 2.53 H new ATOM 274 N LYS A 21 2.986 4.755 7.788 1.00 0.42 N ATOM 275 CA LYS A 21 4.136 4.096 7.176 1.00 0.37 C ATOM 276 C LYS A 21 3.773 3.449 5.829 1.00 0.27 C ATOM 277 O LYS A 21 4.527 3.589 4.870 1.00 0.29 O ATOM 278 CB LYS A 21 4.749 3.092 8.155 1.00 0.41 C ATOM 279 CG LYS A 21 5.912 3.651 8.996 1.00 0.79 C ATOM 280 CD LYS A 21 5.505 4.685 10.061 1.00 1.63 C ATOM 281 CE LYS A 21 5.454 6.154 9.599 1.00 3.52 C ATOM 282 NZ LYS A 21 6.787 6.693 9.251 1.00 3.74 N ATOM 0 H LYS A 21 2.824 4.510 8.765 1.00 0.42 H new ATOM 0 HA LYS A 21 4.889 4.852 6.955 1.00 0.37 H new ATOM 0 HB2 LYS A 21 3.969 2.736 8.828 1.00 0.41 H new ATOM 0 HB3 LYS A 21 5.105 2.228 7.594 1.00 0.41 H new ATOM 0 HG2 LYS A 21 6.415 2.820 9.491 1.00 0.79 H new ATOM 0 HG3 LYS A 21 6.639 4.109 8.325 1.00 0.79 H new ATOM 0 HD2 LYS A 21 4.522 4.412 10.445 1.00 1.63 H new ATOM 0 HD3 LYS A 21 6.204 4.612 10.894 1.00 1.63 H new ATOM 0 HE2 LYS A 21 4.797 6.235 8.733 1.00 3.52 H new ATOM 0 HE3 LYS A 21 5.016 6.764 10.389 1.00 3.52 H new ATOM 0 HZ1 LYS A 21 6.714 7.716 9.079 1.00 3.74 H new ATOM 0 HZ2 LYS A 21 7.447 6.521 10.036 1.00 3.74 H new ATOM 0 HZ3 LYS A 21 7.139 6.222 8.393 1.00 3.74 H new ATOM 296 N VAL A 22 2.607 2.802 5.734 1.00 0.26 N ATOM 297 CA VAL A 22 2.090 2.243 4.501 1.00 0.32 C ATOM 298 C VAL A 22 1.969 3.342 3.449 1.00 0.32 C ATOM 299 O VAL A 22 2.600 3.236 2.401 1.00 0.38 O ATOM 300 CB VAL A 22 0.728 1.587 4.767 1.00 0.40 C ATOM 301 CG1 VAL A 22 0.055 1.025 3.517 1.00 0.63 C ATOM 302 CG2 VAL A 22 0.831 0.428 5.758 1.00 0.44 C ATOM 0 H VAL A 22 1.991 2.654 6.534 1.00 0.26 H new ATOM 0 HA VAL A 22 2.774 1.482 4.125 1.00 0.32 H new ATOM 0 HB VAL A 22 0.128 2.404 5.168 1.00 0.40 H new ATOM 0 HG11 VAL A 22 -0.902 0.579 3.788 1.00 0.63 H new ATOM 0 HG12 VAL A 22 -0.110 1.829 2.800 1.00 0.63 H new ATOM 0 HG13 VAL A 22 0.696 0.265 3.069 1.00 0.63 H new ATOM 0 HG21 VAL A 22 -0.157 -0.005 5.915 1.00 0.44 H new ATOM 0 HG22 VAL A 22 1.502 -0.333 5.359 1.00 0.44 H new ATOM 0 HG23 VAL A 22 1.222 0.795 6.707 1.00 0.44 H new ATOM 312 N GLU A 23 1.166 4.389 3.695 1.00 0.32 N ATOM 313 CA GLU A 23 0.914 5.369 2.641 1.00 0.35 C ATOM 314 C GLU A 23 2.240 5.991 2.255 1.00 0.29 C ATOM 315 O GLU A 23 2.545 6.086 1.079 1.00 0.34 O ATOM 316 CB GLU A 23 -0.123 6.447 2.999 1.00 0.45 C ATOM 317 CG GLU A 23 0.266 7.277 4.219 1.00 0.46 C ATOM 318 CD GLU A 23 -0.712 8.399 4.520 1.00 0.70 C ATOM 319 OE1 GLU A 23 -0.836 9.277 3.639 1.00 1.99 O ATOM 320 OE2 GLU A 23 -1.262 8.385 5.643 1.00 1.62 O ATOM 0 H GLU A 23 0.698 4.571 4.583 1.00 0.32 H new ATOM 0 HA GLU A 23 0.465 4.839 1.801 1.00 0.35 H new ATOM 0 HB2 GLU A 23 -0.257 7.110 2.145 1.00 0.45 H new ATOM 0 HB3 GLU A 23 -1.085 5.969 3.185 1.00 0.45 H new ATOM 0 HG2 GLU A 23 0.335 6.622 5.088 1.00 0.46 H new ATOM 0 HG3 GLU A 23 1.257 7.702 4.060 1.00 0.46 H new ATOM 327 N ASN A 24 3.046 6.375 3.240 1.00 0.25 N ATOM 328 CA ASN A 24 4.326 7.029 3.040 1.00 0.28 C ATOM 329 C ASN A 24 5.231 6.130 2.186 1.00 0.27 C ATOM 330 O ASN A 24 5.903 6.618 1.274 1.00 0.33 O ATOM 331 CB ASN A 24 4.953 7.362 4.402 1.00 0.34 C ATOM 332 CG ASN A 24 4.341 8.590 5.096 1.00 0.39 C ATOM 333 OD1 ASN A 24 4.952 9.653 5.134 1.00 0.59 O ATOM 334 ND2 ASN A 24 3.156 8.450 5.687 1.00 0.39 N ATOM 0 H ASN A 24 2.817 6.234 4.224 1.00 0.25 H new ATOM 0 HA ASN A 24 4.193 7.968 2.503 1.00 0.28 H new ATOM 0 HB2 ASN A 24 4.848 6.498 5.058 1.00 0.34 H new ATOM 0 HB3 ASN A 24 6.021 7.531 4.266 1.00 0.34 H new ATOM 0 HD21 ASN A 24 2.738 9.236 6.184 1.00 0.39 H new ATOM 0 HD22 ASN A 24 2.666 7.556 5.642 1.00 0.39 H new ATOM 341 N ALA A 25 5.210 4.813 2.440 1.00 0.27 N ATOM 342 CA ALA A 25 5.922 3.838 1.611 1.00 0.34 C ATOM 343 C ALA A 25 5.453 3.837 0.149 1.00 0.28 C ATOM 344 O ALA A 25 6.201 3.417 -0.730 1.00 0.33 O ATOM 345 CB ALA A 25 5.835 2.442 2.234 1.00 0.48 C ATOM 0 H ALA A 25 4.702 4.399 3.221 1.00 0.27 H new ATOM 0 HA ALA A 25 6.968 4.142 1.585 1.00 0.34 H new ATOM 0 HB1 ALA A 25 6.369 1.729 1.606 1.00 0.48 H new ATOM 0 HB2 ALA A 25 6.284 2.458 3.227 1.00 0.48 H new ATOM 0 HB3 ALA A 25 4.790 2.144 2.313 1.00 0.48 H new ATOM 351 N VAL A 26 4.239 4.322 -0.123 1.00 0.25 N ATOM 352 CA VAL A 26 3.704 4.514 -1.466 1.00 0.27 C ATOM 353 C VAL A 26 3.991 5.945 -1.967 1.00 0.24 C ATOM 354 O VAL A 26 4.358 6.158 -3.118 1.00 0.26 O ATOM 355 CB VAL A 26 2.202 4.165 -1.453 1.00 0.35 C ATOM 356 CG1 VAL A 26 1.610 4.231 -2.856 1.00 1.45 C ATOM 357 CG2 VAL A 26 1.952 2.774 -0.855 1.00 1.75 C ATOM 0 H VAL A 26 3.585 4.599 0.609 1.00 0.25 H new ATOM 0 HA VAL A 26 4.197 3.848 -2.174 1.00 0.27 H new ATOM 0 HB VAL A 26 1.709 4.907 -0.825 1.00 0.35 H new ATOM 0 HG11 VAL A 26 0.550 3.980 -2.816 1.00 1.45 H new ATOM 0 HG12 VAL A 26 1.730 5.239 -3.254 1.00 1.45 H new ATOM 0 HG13 VAL A 26 2.126 3.522 -3.503 1.00 1.45 H new ATOM 0 HG21 VAL A 26 0.883 2.562 -0.862 1.00 1.75 H new ATOM 0 HG22 VAL A 26 2.475 2.024 -1.448 1.00 1.75 H new ATOM 0 HG23 VAL A 26 2.321 2.747 0.170 1.00 1.75 H new ATOM 367 N ARG A 27 3.841 6.955 -1.111 1.00 0.22 N ATOM 368 CA ARG A 27 3.959 8.359 -1.481 1.00 0.23 C ATOM 369 C ARG A 27 5.369 8.650 -1.988 1.00 0.23 C ATOM 370 O ARG A 27 5.552 9.446 -2.905 1.00 0.35 O ATOM 371 CB ARG A 27 3.597 9.262 -0.292 1.00 0.26 C ATOM 372 CG ARG A 27 2.219 8.909 0.295 1.00 0.51 C ATOM 373 CD ARG A 27 1.293 10.107 0.450 1.00 1.00 C ATOM 374 NE ARG A 27 1.752 11.024 1.502 1.00 0.75 N ATOM 375 CZ ARG A 27 1.230 12.241 1.725 1.00 1.41 C ATOM 376 NH1 ARG A 27 0.256 12.703 0.933 1.00 2.61 N ATOM 377 NH2 ARG A 27 1.693 12.993 2.730 1.00 1.72 N ATOM 0 H ARG A 27 3.630 6.814 -0.123 1.00 0.22 H new ATOM 0 HA ARG A 27 3.256 8.574 -2.286 1.00 0.23 H new ATOM 0 HB2 ARG A 27 4.358 9.165 0.483 1.00 0.26 H new ATOM 0 HB3 ARG A 27 3.599 10.304 -0.613 1.00 0.26 H new ATOM 0 HG2 ARG A 27 1.739 8.171 -0.348 1.00 0.51 H new ATOM 0 HG3 ARG A 27 2.358 8.441 1.269 1.00 0.51 H new ATOM 0 HD2 ARG A 27 1.232 10.643 -0.497 1.00 1.00 H new ATOM 0 HD3 ARG A 27 0.287 9.760 0.685 1.00 1.00 H new ATOM 0 HE ARG A 27 2.517 10.716 2.102 1.00 0.75 H new ATOM 0 HH11 ARG A 27 -0.089 12.131 0.162 1.00 2.61 H new ATOM 0 HH12 ARG A 27 -0.142 13.627 1.100 1.00 2.61 H new ATOM 0 HH21 ARG A 27 2.442 12.642 3.326 1.00 1.72 H new ATOM 0 HH22 ARG A 27 1.297 13.917 2.900 1.00 1.72 H new ATOM 391 N GLN A 28 6.362 7.976 -1.402 1.00 0.20 N ATOM 392 CA GLN A 28 7.754 8.073 -1.812 1.00 0.24 C ATOM 393 C GLN A 28 8.023 7.683 -3.275 1.00 0.23 C ATOM 394 O GLN A 28 9.143 7.896 -3.730 1.00 0.28 O ATOM 395 CB GLN A 28 8.650 7.322 -0.823 1.00 0.29 C ATOM 396 CG GLN A 28 8.508 5.799 -0.934 1.00 0.30 C ATOM 397 CD GLN A 28 9.294 5.078 0.156 1.00 0.39 C ATOM 398 OE1 GLN A 28 9.088 5.455 1.415 1.00 0.49 O flip ATOM 399 NE2 GLN A 28 10.100 4.197 -0.122 1.00 0.51 N flip ATOM 0 H GLN A 28 6.213 7.340 -0.619 1.00 0.20 H new ATOM 0 HA GLN A 28 8.011 9.132 -1.781 1.00 0.24 H new ATOM 0 HB2 GLN A 28 9.689 7.600 -0.998 1.00 0.29 H new ATOM 0 HB3 GLN A 28 8.404 7.633 0.192 1.00 0.29 H new ATOM 0 HG2 GLN A 28 7.455 5.526 -0.865 1.00 0.30 H new ATOM 0 HG3 GLN A 28 8.859 5.471 -1.913 1.00 0.30 H new ATOM 0 HE21 GLN A 28 10.242 3.924 -1.094 1.00 0.51 H new ATOM 0 HE22 GLN A 28 10.629 3.737 0.619 1.00 0.51 H new ATOM 408 N LEU A 29 7.083 7.032 -3.980 1.00 0.20 N ATOM 409 CA LEU A 29 7.273 6.652 -5.376 1.00 0.23 C ATOM 410 C LEU A 29 7.310 7.883 -6.286 1.00 0.26 C ATOM 411 O LEU A 29 8.256 8.663 -6.258 1.00 0.38 O ATOM 412 CB LEU A 29 6.230 5.619 -5.773 1.00 0.25 C ATOM 413 CG LEU A 29 6.372 4.380 -4.885 1.00 0.41 C ATOM 414 CD1 LEU A 29 5.764 3.224 -5.643 1.00 0.37 C ATOM 415 CD2 LEU A 29 7.801 3.968 -4.502 1.00 0.92 C ATOM 0 H LEU A 29 6.179 6.759 -3.595 1.00 0.20 H new ATOM 0 HA LEU A 29 8.247 6.179 -5.501 1.00 0.23 H new ATOM 0 HB2 LEU A 29 5.230 6.039 -5.671 1.00 0.25 H new ATOM 0 HB3 LEU A 29 6.355 5.345 -6.820 1.00 0.25 H new ATOM 0 HG LEU A 29 5.881 4.633 -3.945 1.00 0.41 H new ATOM 0 HD11 LEU A 29 5.843 2.316 -5.046 1.00 0.37 H new ATOM 0 HD12 LEU A 29 4.714 3.434 -5.846 1.00 0.37 H new ATOM 0 HD13 LEU A 29 6.296 3.087 -6.585 1.00 0.37 H new ATOM 0 HD21 LEU A 29 7.767 3.078 -3.873 1.00 0.92 H new ATOM 0 HD22 LEU A 29 8.372 3.752 -5.405 1.00 0.92 H new ATOM 0 HD23 LEU A 29 8.280 4.781 -3.956 1.00 0.92 H new ATOM 427 N ALA A 30 6.293 8.032 -7.131 1.00 0.24 N ATOM 428 CA ALA A 30 6.235 9.071 -8.155 1.00 0.30 C ATOM 429 C ALA A 30 4.930 8.948 -8.929 1.00 0.33 C ATOM 430 O ALA A 30 4.188 9.912 -9.077 1.00 0.36 O ATOM 431 CB ALA A 30 7.412 8.932 -9.131 1.00 0.36 C ATOM 0 H ALA A 30 5.474 7.425 -7.123 1.00 0.24 H new ATOM 0 HA ALA A 30 6.291 10.044 -7.667 1.00 0.30 H new ATOM 0 HB1 ALA A 30 7.352 9.715 -9.887 1.00 0.36 H new ATOM 0 HB2 ALA A 30 8.351 9.026 -8.585 1.00 0.36 H new ATOM 0 HB3 ALA A 30 7.370 7.956 -9.615 1.00 0.36 H new ATOM 437 N GLY A 31 4.666 7.740 -9.430 1.00 0.33 N ATOM 438 CA GLY A 31 3.517 7.486 -10.294 1.00 0.36 C ATOM 439 C GLY A 31 2.197 7.390 -9.523 1.00 0.34 C ATOM 440 O GLY A 31 1.116 7.374 -10.114 1.00 0.46 O ATOM 0 H GLY A 31 5.240 6.916 -9.249 1.00 0.33 H new ATOM 0 HA2 GLY A 31 3.442 8.283 -11.033 1.00 0.36 H new ATOM 0 HA3 GLY A 31 3.680 6.558 -10.842 1.00 0.36 H new ATOM 444 N VAL A 32 2.294 7.289 -8.195 1.00 0.25 N ATOM 445 CA VAL A 32 1.166 7.313 -7.285 1.00 0.24 C ATOM 446 C VAL A 32 0.488 8.677 -7.373 1.00 0.31 C ATOM 447 O VAL A 32 1.176 9.694 -7.403 1.00 0.44 O ATOM 448 CB VAL A 32 1.714 7.047 -5.876 1.00 0.29 C ATOM 449 CG1 VAL A 32 0.672 7.309 -4.777 1.00 0.41 C ATOM 450 CG2 VAL A 32 2.235 5.603 -5.823 1.00 0.27 C ATOM 0 H VAL A 32 3.190 7.186 -7.718 1.00 0.25 H new ATOM 0 HA VAL A 32 0.423 6.556 -7.535 1.00 0.24 H new ATOM 0 HB VAL A 32 2.528 7.745 -5.679 1.00 0.29 H new ATOM 0 HG11 VAL A 32 1.113 7.105 -3.801 1.00 0.41 H new ATOM 0 HG12 VAL A 32 0.352 8.350 -4.820 1.00 0.41 H new ATOM 0 HG13 VAL A 32 -0.189 6.658 -4.929 1.00 0.41 H new ATOM 0 HG21 VAL A 32 2.629 5.395 -4.828 1.00 0.27 H new ATOM 0 HG22 VAL A 32 1.420 4.914 -6.042 1.00 0.27 H new ATOM 0 HG23 VAL A 32 3.027 5.475 -6.561 1.00 0.27 H new ATOM 460 N ASN A 33 -0.849 8.701 -7.361 1.00 0.29 N ATOM 461 CA ASN A 33 -1.608 9.942 -7.321 1.00 0.39 C ATOM 462 C ASN A 33 -2.251 10.075 -5.942 1.00 0.39 C ATOM 463 O ASN A 33 -2.223 11.149 -5.346 1.00 0.69 O ATOM 464 CB ASN A 33 -2.687 9.954 -8.411 1.00 0.67 C ATOM 465 CG ASN A 33 -2.156 9.981 -9.848 1.00 1.09 C ATOM 466 OD1 ASN A 33 -1.353 10.837 -10.204 1.00 2.37 O ATOM 467 ND2 ASN A 33 -2.664 9.077 -10.688 1.00 1.00 N ATOM 0 H ASN A 33 -1.428 7.861 -7.379 1.00 0.29 H new ATOM 0 HA ASN A 33 -0.939 10.783 -7.504 1.00 0.39 H new ATOM 0 HB2 ASN A 33 -3.316 9.072 -8.289 1.00 0.67 H new ATOM 0 HB3 ASN A 33 -3.326 10.824 -8.259 1.00 0.67 H new ATOM 0 HD21 ASN A 33 -2.387 9.080 -11.670 1.00 1.00 H new ATOM 0 HD22 ASN A 33 -3.330 8.383 -10.348 1.00 1.00 H new ATOM 474 N GLN A 34 -2.851 8.993 -5.435 1.00 0.42 N ATOM 475 CA GLN A 34 -3.645 8.999 -4.220 1.00 0.58 C ATOM 476 C GLN A 34 -3.748 7.559 -3.734 1.00 0.45 C ATOM 477 O GLN A 34 -3.571 6.644 -4.526 1.00 0.88 O ATOM 478 CB GLN A 34 -5.022 9.622 -4.497 1.00 0.82 C ATOM 479 CG GLN A 34 -5.764 9.064 -5.723 1.00 1.28 C ATOM 480 CD GLN A 34 -6.412 10.177 -6.542 1.00 0.90 C ATOM 481 OE1 GLN A 34 -7.198 10.961 -6.022 1.00 1.26 O ATOM 482 NE2 GLN A 34 -6.084 10.269 -7.828 1.00 0.82 N ATOM 0 H GLN A 34 -2.792 8.074 -5.873 1.00 0.42 H new ATOM 0 HA GLN A 34 -3.181 9.605 -3.442 1.00 0.58 H new ATOM 0 HB2 GLN A 34 -5.650 9.479 -3.618 1.00 0.82 H new ATOM 0 HB3 GLN A 34 -4.896 10.697 -4.628 1.00 0.82 H new ATOM 0 HG2 GLN A 34 -5.066 8.509 -6.350 1.00 1.28 H new ATOM 0 HG3 GLN A 34 -6.529 8.359 -5.397 1.00 1.28 H new ATOM 0 HE21 GLN A 34 -5.427 9.603 -8.236 1.00 0.82 H new ATOM 0 HE22 GLN A 34 -6.489 11.005 -8.406 1.00 0.82 H new ATOM 491 N VAL A 35 -3.957 7.349 -2.437 1.00 0.29 N ATOM 492 CA VAL A 35 -3.969 6.048 -1.807 1.00 0.31 C ATOM 493 C VAL A 35 -5.005 6.006 -0.682 1.00 0.29 C ATOM 494 O VAL A 35 -5.338 7.046 -0.117 1.00 0.38 O ATOM 495 CB VAL A 35 -2.562 5.748 -1.270 1.00 0.53 C ATOM 496 CG1 VAL A 35 -1.445 5.987 -2.290 1.00 2.13 C ATOM 497 CG2 VAL A 35 -2.198 6.509 0.013 1.00 1.65 C ATOM 0 H VAL A 35 -4.128 8.111 -1.781 1.00 0.29 H new ATOM 0 HA VAL A 35 -4.247 5.287 -2.536 1.00 0.31 H new ATOM 0 HB VAL A 35 -2.625 4.684 -1.044 1.00 0.53 H new ATOM 0 HG11 VAL A 35 -0.482 5.753 -1.836 1.00 2.13 H new ATOM 0 HG12 VAL A 35 -1.602 5.347 -3.158 1.00 2.13 H new ATOM 0 HG13 VAL A 35 -1.455 7.031 -2.603 1.00 2.13 H new ATOM 0 HG21 VAL A 35 -1.189 6.238 0.323 1.00 1.65 H new ATOM 0 HG22 VAL A 35 -2.245 7.582 -0.175 1.00 1.65 H new ATOM 0 HG23 VAL A 35 -2.902 6.248 0.803 1.00 1.65 H new ATOM 507 N GLN A 36 -5.472 4.806 -0.324 1.00 0.35 N ATOM 508 CA GLN A 36 -6.299 4.546 0.841 1.00 0.54 C ATOM 509 C GLN A 36 -5.804 3.311 1.596 1.00 0.52 C ATOM 510 O GLN A 36 -6.104 2.172 1.241 1.00 0.55 O ATOM 511 CB GLN A 36 -7.766 4.390 0.441 1.00 0.86 C ATOM 512 CG GLN A 36 -8.510 5.725 0.550 1.00 1.86 C ATOM 513 CD GLN A 36 -8.622 6.513 -0.756 1.00 2.29 C ATOM 514 OE1 GLN A 36 -8.338 7.703 -0.796 1.00 4.13 O ATOM 515 NE2 GLN A 36 -9.074 5.875 -1.833 1.00 1.56 N ATOM 0 H GLN A 36 -5.273 3.963 -0.863 1.00 0.35 H new ATOM 0 HA GLN A 36 -6.221 5.403 1.510 1.00 0.54 H new ATOM 0 HB2 GLN A 36 -7.830 4.016 -0.581 1.00 0.86 H new ATOM 0 HB3 GLN A 36 -8.245 3.650 1.082 1.00 0.86 H new ATOM 0 HG2 GLN A 36 -9.514 5.534 0.928 1.00 1.86 H new ATOM 0 HG3 GLN A 36 -8.004 6.346 1.289 1.00 1.86 H new ATOM 0 HE21 GLN A 36 -9.305 4.883 -1.779 1.00 1.56 H new ATOM 0 HE22 GLN A 36 -9.189 6.378 -2.713 1.00 1.56 H new ATOM 524 N VAL A 37 -5.097 3.583 2.685 1.00 0.56 N ATOM 525 CA VAL A 37 -4.486 2.645 3.609 1.00 0.77 C ATOM 526 C VAL A 37 -5.421 2.404 4.799 1.00 1.09 C ATOM 527 O VAL A 37 -5.187 2.892 5.903 1.00 1.92 O ATOM 528 CB VAL A 37 -3.116 3.209 4.046 1.00 0.87 C ATOM 529 CG1 VAL A 37 -2.203 3.268 2.822 1.00 1.91 C ATOM 530 CG2 VAL A 37 -3.116 4.622 4.664 1.00 1.36 C ATOM 0 H VAL A 37 -4.923 4.548 2.965 1.00 0.56 H new ATOM 0 HA VAL A 37 -4.323 1.679 3.131 1.00 0.77 H new ATOM 0 HB VAL A 37 -2.783 2.531 4.832 1.00 0.87 H new ATOM 0 HG11 VAL A 37 -1.230 3.664 3.113 1.00 1.91 H new ATOM 0 HG12 VAL A 37 -2.079 2.266 2.412 1.00 1.91 H new ATOM 0 HG13 VAL A 37 -2.648 3.916 2.067 1.00 1.91 H new ATOM 0 HG21 VAL A 37 -2.097 4.903 4.929 1.00 1.36 H new ATOM 0 HG22 VAL A 37 -3.513 5.335 3.942 1.00 1.36 H new ATOM 0 HG23 VAL A 37 -3.738 4.628 5.559 1.00 1.36 H new ATOM 540 N LEU A 38 -6.480 1.609 4.617 1.00 0.66 N ATOM 541 CA LEU A 38 -7.456 1.434 5.658 1.00 0.81 C ATOM 542 C LEU A 38 -7.018 0.191 6.421 1.00 0.87 C ATOM 543 O LEU A 38 -7.357 -0.947 6.084 1.00 0.60 O ATOM 544 CB LEU A 38 -8.837 1.320 5.022 1.00 0.80 C ATOM 545 CG LEU A 38 -9.913 1.000 6.052 1.00 1.02 C ATOM 546 CD1 LEU A 38 -10.006 2.023 7.187 1.00 1.29 C ATOM 547 CD2 LEU A 38 -11.267 0.832 5.359 1.00 1.11 C ATOM 0 H LEU A 38 -6.669 1.087 3.761 1.00 0.66 H new ATOM 0 HA LEU A 38 -7.522 2.270 6.354 1.00 0.81 H new ATOM 0 HB2 LEU A 38 -9.083 2.255 4.519 1.00 0.80 H new ATOM 0 HB3 LEU A 38 -8.822 0.542 4.259 1.00 0.80 H new ATOM 0 HG LEU A 38 -9.621 0.062 6.525 1.00 1.02 H new ATOM 0 HD11 LEU A 38 -10.794 1.727 7.880 1.00 1.29 H new ATOM 0 HD12 LEU A 38 -9.054 2.066 7.717 1.00 1.29 H new ATOM 0 HD13 LEU A 38 -10.236 3.005 6.774 1.00 1.29 H new ATOM 0 HD21 LEU A 38 -12.030 0.603 6.103 1.00 1.11 H new ATOM 0 HD22 LEU A 38 -11.528 1.756 4.843 1.00 1.11 H new ATOM 0 HD23 LEU A 38 -11.208 0.017 4.637 1.00 1.11 H new ATOM 559 N PHE A 39 -6.203 0.450 7.442 1.00 1.46 N ATOM 560 CA PHE A 39 -5.782 -0.557 8.392 1.00 1.76 C ATOM 561 C PHE A 39 -7.007 -1.120 9.126 1.00 1.74 C ATOM 562 O PHE A 39 -8.098 -0.559 9.022 1.00 1.87 O ATOM 563 CB PHE A 39 -4.728 0.052 9.326 1.00 2.52 C ATOM 564 CG PHE A 39 -5.248 0.711 10.583 1.00 0.91 C ATOM 565 CD1 PHE A 39 -5.464 -0.088 11.715 1.00 2.31 C ATOM 566 CD2 PHE A 39 -5.464 2.099 10.658 1.00 1.74 C ATOM 567 CE1 PHE A 39 -5.846 0.484 12.932 1.00 2.87 C ATOM 568 CE2 PHE A 39 -5.855 2.677 11.879 1.00 2.80 C ATOM 569 CZ PHE A 39 -6.041 1.871 13.018 1.00 2.92 C ATOM 0 H PHE A 39 -5.817 1.376 7.628 1.00 1.46 H new ATOM 0 HA PHE A 39 -5.313 -1.404 7.890 1.00 1.76 H new ATOM 0 HB2 PHE A 39 -4.032 -0.735 9.615 1.00 2.52 H new ATOM 0 HB3 PHE A 39 -4.158 0.791 8.763 1.00 2.52 H new ATOM 0 HD1 PHE A 39 -5.334 -1.158 11.646 1.00 2.31 H new ATOM 0 HD2 PHE A 39 -5.330 2.717 9.783 1.00 1.74 H new ATOM 0 HE1 PHE A 39 -5.990 -0.139 13.802 1.00 2.87 H new ATOM 0 HE2 PHE A 39 -6.013 3.743 11.943 1.00 2.80 H new ATOM 0 HZ PHE A 39 -6.333 2.319 13.956 1.00 2.92 H new ATOM 579 N ALA A 40 -6.841 -2.244 9.831 1.00 1.92 N ATOM 580 CA ALA A 40 -7.903 -2.954 10.548 1.00 1.97 C ATOM 581 C ALA A 40 -8.850 -3.669 9.580 1.00 1.44 C ATOM 582 O ALA A 40 -9.070 -4.869 9.710 1.00 1.42 O ATOM 583 CB ALA A 40 -8.647 -2.054 11.544 1.00 2.60 C ATOM 0 H ALA A 40 -5.933 -2.699 9.921 1.00 1.92 H new ATOM 0 HA ALA A 40 -7.421 -3.724 11.150 1.00 1.97 H new ATOM 0 HB1 ALA A 40 -9.423 -2.631 12.047 1.00 2.60 H new ATOM 0 HB2 ALA A 40 -7.944 -1.670 12.283 1.00 2.60 H new ATOM 0 HB3 ALA A 40 -9.104 -1.220 11.010 1.00 2.60 H new ATOM 589 N THR A 41 -9.347 -2.969 8.556 1.00 1.24 N ATOM 590 CA THR A 41 -10.101 -3.561 7.459 1.00 1.05 C ATOM 591 C THR A 41 -9.202 -4.420 6.556 1.00 0.60 C ATOM 592 O THR A 41 -9.697 -5.032 5.612 1.00 1.06 O ATOM 593 CB THR A 41 -10.819 -2.456 6.680 1.00 1.43 C ATOM 594 OG1 THR A 41 -11.266 -1.491 7.612 1.00 2.01 O ATOM 595 CG2 THR A 41 -12.043 -2.973 5.913 1.00 1.82 C ATOM 0 H THR A 41 -9.232 -1.959 8.469 1.00 1.24 H new ATOM 0 HA THR A 41 -10.853 -4.237 7.867 1.00 1.05 H new ATOM 0 HB THR A 41 -10.117 -2.046 5.953 1.00 1.43 H new ATOM 0 HG1 THR A 41 -12.159 -1.178 7.356 1.00 2.01 H new ATOM 0 HG21 THR A 41 -12.513 -2.147 5.379 1.00 1.82 H new ATOM 0 HG22 THR A 41 -11.730 -3.735 5.199 1.00 1.82 H new ATOM 0 HG23 THR A 41 -12.757 -3.404 6.615 1.00 1.82 H new ATOM 603 N GLU A 42 -7.889 -4.460 6.825 1.00 0.50 N ATOM 604 CA GLU A 42 -6.948 -5.360 6.168 1.00 1.06 C ATOM 605 C GLU A 42 -6.835 -5.033 4.671 1.00 0.89 C ATOM 606 O GLU A 42 -6.573 -5.926 3.868 1.00 1.33 O ATOM 607 CB GLU A 42 -7.374 -6.825 6.430 1.00 1.75 C ATOM 608 CG GLU A 42 -6.244 -7.856 6.275 1.00 2.81 C ATOM 609 CD GLU A 42 -6.782 -9.281 6.231 1.00 4.69 C ATOM 610 OE1 GLU A 42 -7.473 -9.656 7.203 1.00 5.06 O ATOM 611 OE2 GLU A 42 -6.508 -9.966 5.219 1.00 6.18 O ATOM 0 H GLU A 42 -7.450 -3.855 7.519 1.00 0.50 H new ATOM 0 HA GLU A 42 -5.951 -5.223 6.586 1.00 1.06 H new ATOM 0 HB2 GLU A 42 -7.778 -6.897 7.440 1.00 1.75 H new ATOM 0 HB3 GLU A 42 -8.181 -7.083 5.744 1.00 1.75 H new ATOM 0 HG2 GLU A 42 -5.686 -7.650 5.362 1.00 2.81 H new ATOM 0 HG3 GLU A 42 -5.545 -7.757 7.105 1.00 2.81 H new ATOM 618 N LYS A 43 -7.042 -3.767 4.264 1.00 0.49 N ATOM 619 CA LYS A 43 -7.161 -3.454 2.846 1.00 0.46 C ATOM 620 C LYS A 43 -6.401 -2.181 2.463 1.00 0.42 C ATOM 621 O LYS A 43 -6.673 -1.098 2.986 1.00 0.53 O ATOM 622 CB LYS A 43 -8.637 -3.514 2.419 1.00 0.70 C ATOM 623 CG LYS A 43 -9.460 -2.265 2.746 1.00 1.67 C ATOM 624 CD LYS A 43 -9.592 -1.401 1.482 1.00 1.12 C ATOM 625 CE LYS A 43 -9.983 0.030 1.854 1.00 0.87 C ATOM 626 NZ LYS A 43 -10.451 0.808 0.691 1.00 1.49 N ATOM 0 H LYS A 43 -7.128 -2.966 4.889 1.00 0.49 H new ATOM 0 HA LYS A 43 -6.655 -4.219 2.256 1.00 0.46 H new ATOM 0 HB2 LYS A 43 -8.681 -3.688 1.344 1.00 0.70 H new ATOM 0 HB3 LYS A 43 -9.103 -4.374 2.900 1.00 0.70 H new ATOM 0 HG2 LYS A 43 -10.447 -2.550 3.110 1.00 1.67 H new ATOM 0 HG3 LYS A 43 -8.979 -1.696 3.541 1.00 1.67 H new ATOM 0 HD2 LYS A 43 -8.649 -1.397 0.936 1.00 1.12 H new ATOM 0 HD3 LYS A 43 -10.343 -1.829 0.818 1.00 1.12 H new ATOM 0 HE2 LYS A 43 -10.768 0.004 2.609 1.00 0.87 H new ATOM 0 HE3 LYS A 43 -9.126 0.533 2.302 1.00 0.87 H new ATOM 0 HZ1 LYS A 43 -10.704 1.770 0.996 1.00 1.49 H new ATOM 0 HZ2 LYS A 43 -9.694 0.858 -0.021 1.00 1.49 H new ATOM 0 HZ3 LYS A 43 -11.286 0.346 0.277 1.00 1.49 H new ATOM 640 N LEU A 44 -5.455 -2.313 1.525 1.00 0.34 N ATOM 641 CA LEU A 44 -4.769 -1.184 0.920 1.00 0.39 C ATOM 642 C LEU A 44 -5.441 -0.920 -0.415 1.00 0.39 C ATOM 643 O LEU A 44 -5.741 -1.887 -1.115 1.00 0.48 O ATOM 644 CB LEU A 44 -3.292 -1.516 0.628 1.00 0.46 C ATOM 645 CG LEU A 44 -2.384 -0.330 0.953 1.00 0.81 C ATOM 646 CD1 LEU A 44 -0.967 -0.624 0.495 1.00 0.62 C ATOM 647 CD2 LEU A 44 -2.818 0.954 0.246 1.00 2.06 C ATOM 0 H LEU A 44 -5.148 -3.217 1.167 1.00 0.34 H new ATOM 0 HA LEU A 44 -4.814 -0.333 1.599 1.00 0.39 H new ATOM 0 HB2 LEU A 44 -2.988 -2.382 1.216 1.00 0.46 H new ATOM 0 HB3 LEU A 44 -3.178 -1.788 -0.421 1.00 0.46 H new ATOM 0 HG LEU A 44 -2.445 -0.187 2.032 1.00 0.81 H new ATOM 0 HD11 LEU A 44 -0.325 0.225 0.730 1.00 0.62 H new ATOM 0 HD12 LEU A 44 -0.596 -1.512 1.007 1.00 0.62 H new ATOM 0 HD13 LEU A 44 -0.961 -0.797 -0.581 1.00 0.62 H new ATOM 0 HD21 LEU A 44 -2.139 1.764 0.512 1.00 2.06 H new ATOM 0 HD22 LEU A 44 -2.795 0.801 -0.833 1.00 2.06 H new ATOM 0 HD23 LEU A 44 -3.831 1.214 0.554 1.00 2.06 H new ATOM 659 N VAL A 45 -5.614 0.350 -0.796 1.00 0.30 N ATOM 660 CA VAL A 45 -5.776 0.730 -2.189 1.00 0.26 C ATOM 661 C VAL A 45 -4.792 1.830 -2.584 1.00 0.25 C ATOM 662 O VAL A 45 -4.453 2.675 -1.760 1.00 0.42 O ATOM 663 CB VAL A 45 -7.240 1.100 -2.449 1.00 0.33 C ATOM 664 CG1 VAL A 45 -7.447 1.761 -3.813 1.00 0.69 C ATOM 665 CG2 VAL A 45 -8.009 -0.216 -2.424 1.00 0.71 C ATOM 0 H VAL A 45 -5.644 1.135 -0.145 1.00 0.30 H new ATOM 0 HA VAL A 45 -5.534 -0.117 -2.831 1.00 0.26 H new ATOM 0 HB VAL A 45 -7.576 1.816 -1.698 1.00 0.33 H new ATOM 0 HG11 VAL A 45 -8.502 2.002 -3.944 1.00 0.69 H new ATOM 0 HG12 VAL A 45 -6.856 2.676 -3.867 1.00 0.69 H new ATOM 0 HG13 VAL A 45 -7.130 1.077 -4.601 1.00 0.69 H new ATOM 0 HG21 VAL A 45 -9.067 -0.023 -2.604 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -7.624 -0.877 -3.200 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -7.887 -0.690 -1.450 1.00 0.71 H new ATOM 675 N VAL A 46 -4.322 1.806 -3.833 1.00 0.31 N ATOM 676 CA VAL A 46 -3.451 2.800 -4.431 1.00 0.30 C ATOM 677 C VAL A 46 -4.026 3.163 -5.797 1.00 0.31 C ATOM 678 O VAL A 46 -4.296 2.265 -6.590 1.00 0.44 O ATOM 679 CB VAL A 46 -2.038 2.216 -4.556 1.00 0.39 C ATOM 680 CG1 VAL A 46 -1.140 3.126 -5.400 1.00 0.51 C ATOM 681 CG2 VAL A 46 -1.439 2.014 -3.161 1.00 0.37 C ATOM 0 H VAL A 46 -4.554 1.053 -4.480 1.00 0.31 H new ATOM 0 HA VAL A 46 -3.390 3.699 -3.818 1.00 0.30 H new ATOM 0 HB VAL A 46 -2.102 1.252 -5.061 1.00 0.39 H new ATOM 0 HG11 VAL A 46 -0.144 2.689 -5.473 1.00 0.51 H new ATOM 0 HG12 VAL A 46 -1.564 3.231 -6.399 1.00 0.51 H new ATOM 0 HG13 VAL A 46 -1.072 4.107 -4.930 1.00 0.51 H new ATOM 0 HG21 VAL A 46 -0.435 1.599 -3.253 1.00 0.37 H new ATOM 0 HG22 VAL A 46 -1.390 2.972 -2.644 1.00 0.37 H new ATOM 0 HG23 VAL A 46 -2.065 1.327 -2.592 1.00 0.37 H new ATOM 691 N ASP A 47 -4.191 4.459 -6.066 1.00 0.27 N ATOM 692 CA ASP A 47 -4.651 5.013 -7.329 1.00 0.29 C ATOM 693 C ASP A 47 -3.486 5.777 -7.989 1.00 0.34 C ATOM 694 O ASP A 47 -2.915 6.697 -7.390 1.00 0.31 O ATOM 695 CB ASP A 47 -5.929 5.836 -7.098 1.00 0.37 C ATOM 696 CG ASP A 47 -7.178 4.951 -7.046 1.00 1.12 C ATOM 697 OD1 ASP A 47 -7.500 4.455 -5.943 1.00 2.23 O ATOM 698 OD2 ASP A 47 -7.809 4.782 -8.111 1.00 1.98 O ATOM 0 H ASP A 47 -3.997 5.181 -5.372 1.00 0.27 H new ATOM 0 HA ASP A 47 -4.939 4.235 -8.036 1.00 0.29 H new ATOM 0 HB2 ASP A 47 -5.839 6.392 -6.165 1.00 0.37 H new ATOM 0 HB3 ASP A 47 -6.037 6.570 -7.897 1.00 0.37 H new ATOM 703 N ALA A 48 -3.079 5.342 -9.194 1.00 0.52 N ATOM 704 CA ALA A 48 -1.803 5.689 -9.827 1.00 0.48 C ATOM 705 C ALA A 48 -1.896 5.657 -11.364 1.00 0.51 C ATOM 706 O ALA A 48 -2.562 4.781 -11.917 1.00 0.69 O ATOM 707 CB ALA A 48 -0.750 4.677 -9.356 1.00 0.52 C ATOM 0 H ALA A 48 -3.649 4.721 -9.768 1.00 0.52 H new ATOM 0 HA ALA A 48 -1.532 6.705 -9.540 1.00 0.48 H new ATOM 0 HB1 ALA A 48 0.211 4.913 -9.813 1.00 0.52 H new ATOM 0 HB2 ALA A 48 -0.658 4.726 -8.271 1.00 0.52 H new ATOM 0 HB3 ALA A 48 -1.054 3.672 -9.649 1.00 0.52 H new ATOM 713 N ASP A 49 -1.193 6.567 -12.056 1.00 0.45 N ATOM 714 CA ASP A 49 -1.139 6.623 -13.531 1.00 0.49 C ATOM 715 C ASP A 49 0.114 5.885 -14.028 1.00 0.43 C ATOM 716 O ASP A 49 0.927 6.442 -14.760 1.00 0.55 O ATOM 717 CB ASP A 49 -1.146 8.085 -14.054 1.00 0.68 C ATOM 718 CG ASP A 49 -2.521 8.664 -14.355 1.00 1.11 C ATOM 719 OD1 ASP A 49 -3.223 8.931 -13.356 1.00 1.29 O ATOM 720 OD2 ASP A 49 -2.811 8.893 -15.562 1.00 2.55 O ATOM 0 H ASP A 49 -0.639 7.295 -11.605 1.00 0.45 H new ATOM 0 HA ASP A 49 -2.032 6.135 -13.921 1.00 0.49 H new ATOM 0 HB2 ASP A 49 -0.657 8.720 -13.315 1.00 0.68 H new ATOM 0 HB3 ASP A 49 -0.544 8.131 -14.962 1.00 0.68 H new ATOM 725 N ASN A 50 0.255 4.609 -13.660 1.00 0.35 N ATOM 726 CA ASN A 50 1.297 3.677 -14.111 1.00 0.39 C ATOM 727 C ASN A 50 1.175 2.413 -13.269 1.00 0.54 C ATOM 728 O ASN A 50 0.439 2.443 -12.281 1.00 1.69 O ATOM 729 CB ASN A 50 2.733 4.234 -13.994 1.00 0.43 C ATOM 730 CG ASN A 50 3.252 4.467 -12.573 1.00 0.52 C ATOM 731 OD1 ASN A 50 2.420 4.366 -11.536 1.00 1.41 O flip ATOM 732 ND2 ASN A 50 4.434 4.741 -12.397 1.00 0.61 N flip ATOM 0 H ASN A 50 -0.390 4.172 -13.002 1.00 0.35 H new ATOM 0 HA ASN A 50 1.138 3.489 -15.173 1.00 0.39 H new ATOM 0 HB2 ASN A 50 3.410 3.544 -14.498 1.00 0.43 H new ATOM 0 HB3 ASN A 50 2.779 5.179 -14.535 1.00 0.43 H new ATOM 0 HD21 ASN A 50 5.064 4.816 -13.195 1.00 0.61 H new ATOM 0 HD22 ASN A 50 4.787 4.893 -11.452 1.00 0.61 H new ATOM 739 N ASP A 51 1.915 1.347 -13.591 1.00 0.80 N ATOM 740 CA ASP A 51 2.084 0.226 -12.674 1.00 0.70 C ATOM 741 C ASP A 51 3.248 0.525 -11.731 1.00 0.58 C ATOM 742 O ASP A 51 4.362 0.778 -12.186 1.00 0.75 O ATOM 743 CB ASP A 51 2.346 -1.084 -13.426 1.00 1.01 C ATOM 744 CG ASP A 51 2.588 -2.245 -12.459 1.00 2.18 C ATOM 745 OD1 ASP A 51 2.201 -2.114 -11.275 1.00 3.20 O ATOM 746 OD2 ASP A 51 3.165 -3.252 -12.916 1.00 3.00 O ATOM 0 H ASP A 51 2.404 1.241 -14.480 1.00 0.80 H new ATOM 0 HA ASP A 51 1.161 0.102 -12.107 1.00 0.70 H new ATOM 0 HB2 ASP A 51 1.495 -1.314 -14.067 1.00 1.01 H new ATOM 0 HB3 ASP A 51 3.212 -0.964 -14.077 1.00 1.01 H new ATOM 751 N ILE A 52 2.982 0.487 -10.427 1.00 0.47 N ATOM 752 CA ILE A 52 3.995 0.466 -9.383 1.00 0.42 C ATOM 753 C ILE A 52 3.652 -0.603 -8.339 1.00 0.32 C ATOM 754 O ILE A 52 4.084 -0.512 -7.194 1.00 0.32 O ATOM 755 CB ILE A 52 4.125 1.864 -8.747 1.00 0.49 C ATOM 756 CG1 ILE A 52 2.774 2.531 -8.452 1.00 0.44 C ATOM 757 CG2 ILE A 52 4.958 2.788 -9.643 1.00 0.73 C ATOM 758 CD1 ILE A 52 1.882 1.734 -7.500 1.00 0.49 C ATOM 0 H ILE A 52 2.030 0.470 -10.061 1.00 0.47 H new ATOM 0 HA ILE A 52 4.961 0.207 -9.817 1.00 0.42 H new ATOM 0 HB ILE A 52 4.625 1.709 -7.791 1.00 0.49 H new ATOM 0 HG12 ILE A 52 2.953 3.518 -8.025 1.00 0.44 H new ATOM 0 HG13 ILE A 52 2.242 2.682 -9.391 1.00 0.44 H new ATOM 0 HG21 ILE A 52 5.039 3.770 -9.178 1.00 0.73 H new ATOM 0 HG22 ILE A 52 5.954 2.366 -9.775 1.00 0.73 H new ATOM 0 HG23 ILE A 52 4.474 2.886 -10.615 1.00 0.73 H new ATOM 0 HD11 ILE A 52 0.947 2.271 -7.342 1.00 0.49 H new ATOM 0 HD12 ILE A 52 1.670 0.756 -7.933 1.00 0.49 H new ATOM 0 HD13 ILE A 52 2.392 1.605 -6.545 1.00 0.49 H new ATOM 770 N ARG A 53 2.867 -1.625 -8.678 1.00 0.34 N ATOM 771 CA ARG A 53 2.320 -2.506 -7.652 1.00 0.37 C ATOM 772 C ARG A 53 3.410 -3.288 -6.947 1.00 0.31 C ATOM 773 O ARG A 53 3.481 -3.296 -5.720 1.00 0.34 O ATOM 774 CB ARG A 53 1.366 -3.515 -8.251 1.00 0.50 C ATOM 775 CG ARG A 53 0.152 -2.846 -8.862 1.00 0.49 C ATOM 776 CD ARG A 53 -0.670 -3.855 -9.687 1.00 0.90 C ATOM 777 NE ARG A 53 -1.305 -4.889 -8.850 1.00 0.93 N ATOM 778 CZ ARG A 53 -0.634 -5.895 -8.272 1.00 1.82 C ATOM 779 NH1 ARG A 53 0.553 -6.296 -8.728 1.00 3.10 N ATOM 780 NH2 ARG A 53 -1.102 -6.468 -7.171 1.00 2.97 N ATOM 0 H ARG A 53 2.601 -1.859 -9.634 1.00 0.34 H new ATOM 0 HA ARG A 53 1.802 -1.859 -6.944 1.00 0.37 H new ATOM 0 HB2 ARG A 53 1.884 -4.096 -9.014 1.00 0.50 H new ATOM 0 HB3 ARG A 53 1.046 -4.215 -7.480 1.00 0.50 H new ATOM 0 HG2 ARG A 53 -0.470 -2.421 -8.074 1.00 0.49 H new ATOM 0 HG3 ARG A 53 0.468 -2.020 -9.499 1.00 0.49 H new ATOM 0 HD2 ARG A 53 -1.440 -3.321 -10.244 1.00 0.90 H new ATOM 0 HD3 ARG A 53 -0.020 -4.334 -10.419 1.00 0.90 H new ATOM 0 HE ARG A 53 -2.313 -4.836 -8.702 1.00 0.93 H new ATOM 0 HH11 ARG A 53 0.972 -5.834 -9.536 1.00 3.10 H new ATOM 0 HH12 ARG A 53 1.042 -7.064 -8.269 1.00 3.10 H new ATOM 0 HH21 ARG A 53 -1.977 -6.143 -6.760 1.00 2.97 H new ATOM 0 HH22 ARG A 53 -0.587 -7.233 -6.736 1.00 2.97 H new ATOM 794 N ALA A 54 4.273 -3.917 -7.747 1.00 0.28 N ATOM 795 CA ALA A 54 5.457 -4.590 -7.247 1.00 0.28 C ATOM 796 C ALA A 54 6.341 -3.586 -6.505 1.00 0.25 C ATOM 797 O ALA A 54 7.120 -3.961 -5.632 1.00 0.26 O ATOM 798 CB ALA A 54 6.204 -5.233 -8.416 1.00 0.34 C ATOM 0 H ALA A 54 4.164 -3.970 -8.760 1.00 0.28 H new ATOM 0 HA ALA A 54 5.176 -5.376 -6.546 1.00 0.28 H new ATOM 0 HB1 ALA A 54 7.095 -5.740 -8.044 1.00 0.34 H new ATOM 0 HB2 ALA A 54 5.554 -5.956 -8.909 1.00 0.34 H new ATOM 0 HB3 ALA A 54 6.496 -4.462 -9.129 1.00 0.34 H new ATOM 804 N GLN A 55 6.211 -2.295 -6.837 1.00 0.26 N ATOM 805 CA GLN A 55 7.023 -1.280 -6.195 1.00 0.25 C ATOM 806 C GLN A 55 6.500 -1.077 -4.780 1.00 0.21 C ATOM 807 O GLN A 55 7.258 -1.085 -3.807 1.00 0.25 O ATOM 808 CB GLN A 55 7.010 0.014 -7.025 1.00 0.37 C ATOM 809 CG GLN A 55 8.368 0.724 -7.021 1.00 0.48 C ATOM 810 CD GLN A 55 9.275 0.208 -8.133 1.00 1.24 C ATOM 811 OE1 GLN A 55 10.231 -0.515 -7.886 1.00 2.65 O ATOM 812 NE2 GLN A 55 8.979 0.587 -9.375 1.00 1.05 N ATOM 0 H GLN A 55 5.558 -1.942 -7.537 1.00 0.26 H new ATOM 0 HA GLN A 55 8.065 -1.594 -6.134 1.00 0.25 H new ATOM 0 HB2 GLN A 55 6.728 -0.219 -8.052 1.00 0.37 H new ATOM 0 HB3 GLN A 55 6.250 0.688 -6.631 1.00 0.37 H new ATOM 0 HG2 GLN A 55 8.218 1.797 -7.141 1.00 0.48 H new ATOM 0 HG3 GLN A 55 8.854 0.576 -6.056 1.00 0.48 H new ATOM 0 HE21 GLN A 55 8.175 1.190 -9.546 1.00 1.05 H new ATOM 0 HE22 GLN A 55 9.557 0.274 -10.155 1.00 1.05 H new ATOM 821 N VAL A 56 5.180 -0.921 -4.676 1.00 0.20 N ATOM 822 CA VAL A 56 4.531 -0.707 -3.410 1.00 0.19 C ATOM 823 C VAL A 56 4.727 -1.946 -2.539 1.00 0.20 C ATOM 824 O VAL A 56 5.114 -1.832 -1.379 1.00 0.24 O ATOM 825 CB VAL A 56 3.068 -0.350 -3.645 1.00 0.20 C ATOM 826 CG1 VAL A 56 2.312 -0.429 -2.319 1.00 0.35 C ATOM 827 CG2 VAL A 56 3.018 1.104 -4.111 1.00 0.39 C ATOM 0 H VAL A 56 4.544 -0.942 -5.473 1.00 0.20 H new ATOM 0 HA VAL A 56 4.971 0.133 -2.873 1.00 0.19 H new ATOM 0 HB VAL A 56 2.627 -1.029 -4.375 1.00 0.20 H new ATOM 0 HG11 VAL A 56 1.265 -0.174 -2.482 1.00 0.35 H new ATOM 0 HG12 VAL A 56 2.382 -1.441 -1.920 1.00 0.35 H new ATOM 0 HG13 VAL A 56 2.750 0.272 -1.608 1.00 0.35 H new ATOM 0 HG21 VAL A 56 1.982 1.394 -4.289 1.00 0.39 H new ATOM 0 HG22 VAL A 56 3.448 1.747 -3.343 1.00 0.39 H new ATOM 0 HG23 VAL A 56 3.588 1.210 -5.034 1.00 0.39 H new ATOM 837 N GLU A 57 4.480 -3.131 -3.102 1.00 0.20 N ATOM 838 CA GLU A 57 4.806 -4.387 -2.449 1.00 0.21 C ATOM 839 C GLU A 57 6.226 -4.385 -1.920 1.00 0.23 C ATOM 840 O GLU A 57 6.378 -4.476 -0.711 1.00 0.26 O ATOM 841 CB GLU A 57 4.517 -5.556 -3.383 1.00 0.28 C ATOM 842 CG GLU A 57 4.896 -6.938 -2.841 1.00 0.40 C ATOM 843 CD GLU A 57 6.375 -7.295 -2.947 1.00 1.76 C ATOM 844 OE1 GLU A 57 7.009 -6.865 -3.934 1.00 2.93 O ATOM 845 OE2 GLU A 57 6.840 -7.993 -2.019 1.00 2.89 O ATOM 0 H GLU A 57 4.050 -3.240 -4.020 1.00 0.20 H new ATOM 0 HA GLU A 57 4.165 -4.508 -1.575 1.00 0.21 H new ATOM 0 HB2 GLU A 57 3.453 -5.556 -3.619 1.00 0.28 H new ATOM 0 HB3 GLU A 57 5.051 -5.392 -4.319 1.00 0.28 H new ATOM 0 HG2 GLU A 57 4.600 -6.993 -1.794 1.00 0.40 H new ATOM 0 HG3 GLU A 57 4.318 -7.691 -3.376 1.00 0.40 H new ATOM 852 N SER A 58 7.247 -4.242 -2.766 1.00 0.24 N ATOM 853 CA SER A 58 8.628 -4.318 -2.305 1.00 0.29 C ATOM 854 C SER A 58 8.836 -3.394 -1.097 1.00 0.31 C ATOM 855 O SER A 58 9.395 -3.793 -0.071 1.00 0.35 O ATOM 856 CB SER A 58 9.569 -3.993 -3.471 1.00 0.35 C ATOM 857 OG SER A 58 10.913 -4.252 -3.116 1.00 0.58 O ATOM 0 H SER A 58 7.142 -4.074 -3.767 1.00 0.24 H new ATOM 0 HA SER A 58 8.859 -5.328 -1.967 1.00 0.29 H new ATOM 0 HB2 SER A 58 9.296 -4.589 -4.342 1.00 0.35 H new ATOM 0 HB3 SER A 58 9.458 -2.946 -3.754 1.00 0.35 H new ATOM 0 HG SER A 58 11.498 -4.040 -3.873 1.00 0.58 H new ATOM 863 N ALA A 59 8.306 -2.172 -1.191 1.00 0.30 N ATOM 864 CA ALA A 59 8.351 -1.211 -0.105 1.00 0.30 C ATOM 865 C ALA A 59 7.660 -1.719 1.163 1.00 0.31 C ATOM 866 O ALA A 59 8.236 -1.635 2.244 1.00 0.35 O ATOM 867 CB ALA A 59 7.716 0.098 -0.562 1.00 0.29 C ATOM 0 H ALA A 59 7.834 -1.828 -2.027 1.00 0.30 H new ATOM 0 HA ALA A 59 9.399 -1.053 0.151 1.00 0.30 H new ATOM 0 HB1 ALA A 59 7.748 0.822 0.252 1.00 0.29 H new ATOM 0 HB2 ALA A 59 8.266 0.490 -1.418 1.00 0.29 H new ATOM 0 HB3 ALA A 59 6.679 -0.081 -0.847 1.00 0.29 H new ATOM 873 N LEU A 60 6.422 -2.209 1.064 1.00 0.27 N ATOM 874 CA LEU A 60 5.634 -2.645 2.210 1.00 0.26 C ATOM 875 C LEU A 60 6.279 -3.868 2.851 1.00 0.26 C ATOM 876 O LEU A 60 6.423 -3.950 4.075 1.00 0.28 O ATOM 877 CB LEU A 60 4.215 -2.981 1.738 1.00 0.24 C ATOM 878 CG LEU A 60 3.394 -1.739 1.414 1.00 0.42 C ATOM 879 CD1 LEU A 60 2.206 -2.082 0.520 1.00 1.05 C ATOM 880 CD2 LEU A 60 2.847 -1.078 2.676 1.00 0.91 C ATOM 0 H LEU A 60 5.936 -2.314 0.173 1.00 0.27 H new ATOM 0 HA LEU A 60 5.592 -1.848 2.953 1.00 0.26 H new ATOM 0 HB2 LEU A 60 4.271 -3.615 0.853 1.00 0.24 H new ATOM 0 HB3 LEU A 60 3.706 -3.557 2.511 1.00 0.24 H new ATOM 0 HG LEU A 60 4.069 -1.054 0.902 1.00 0.42 H new ATOM 0 HD11 LEU A 60 1.639 -1.176 0.306 1.00 1.05 H new ATOM 0 HD12 LEU A 60 2.566 -2.514 -0.414 1.00 1.05 H new ATOM 0 HD13 LEU A 60 1.563 -2.801 1.029 1.00 1.05 H new ATOM 0 HD21 LEU A 60 2.267 -0.196 2.403 1.00 0.91 H new ATOM 0 HD22 LEU A 60 2.207 -1.782 3.208 1.00 0.91 H new ATOM 0 HD23 LEU A 60 3.675 -0.783 3.320 1.00 0.91 H new ATOM 892 N GLN A 61 6.684 -4.809 2.002 1.00 0.29 N ATOM 893 CA GLN A 61 7.434 -5.978 2.432 1.00 0.36 C ATOM 894 C GLN A 61 8.648 -5.529 3.251 1.00 0.39 C ATOM 895 O GLN A 61 8.826 -5.974 4.383 1.00 0.43 O ATOM 896 CB GLN A 61 7.827 -6.853 1.227 1.00 0.42 C ATOM 897 CG GLN A 61 7.275 -8.279 1.350 1.00 0.53 C ATOM 898 CD GLN A 61 5.751 -8.352 1.239 1.00 1.57 C ATOM 899 OE1 GLN A 61 5.022 -8.257 2.219 1.00 3.53 O ATOM 900 NE2 GLN A 61 5.226 -8.558 0.046 1.00 0.87 N ATOM 0 H GLN A 61 6.500 -4.780 0.999 1.00 0.29 H new ATOM 0 HA GLN A 61 6.808 -6.600 3.071 1.00 0.36 H new ATOM 0 HB2 GLN A 61 7.453 -6.397 0.310 1.00 0.42 H new ATOM 0 HB3 GLN A 61 8.913 -6.890 1.145 1.00 0.42 H new ATOM 0 HG2 GLN A 61 7.719 -8.901 0.572 1.00 0.53 H new ATOM 0 HG3 GLN A 61 7.583 -8.698 2.308 1.00 0.53 H new ATOM 0 HE21 GLN A 61 5.832 -8.637 -0.771 1.00 0.87 H new ATOM 0 HE22 GLN A 61 4.215 -8.638 -0.059 1.00 0.87 H new ATOM 909 N LYS A 62 9.459 -4.611 2.711 1.00 0.40 N ATOM 910 CA LYS A 62 10.609 -4.092 3.438 1.00 0.44 C ATOM 911 C LYS A 62 10.183 -3.359 4.715 1.00 0.43 C ATOM 912 O LYS A 62 10.872 -3.434 5.731 1.00 0.47 O ATOM 913 CB LYS A 62 11.461 -3.214 2.506 1.00 0.53 C ATOM 914 CG LYS A 62 12.725 -2.680 3.201 1.00 1.30 C ATOM 915 CD LYS A 62 12.468 -1.353 3.938 1.00 2.20 C ATOM 916 CE LYS A 62 13.238 -1.301 5.268 1.00 3.77 C ATOM 917 NZ LYS A 62 12.769 -0.204 6.138 1.00 4.97 N ATOM 0 H LYS A 62 9.336 -4.218 1.778 1.00 0.40 H new ATOM 0 HA LYS A 62 11.228 -4.927 3.766 1.00 0.44 H new ATOM 0 HB2 LYS A 62 11.749 -3.793 1.628 1.00 0.53 H new ATOM 0 HB3 LYS A 62 10.862 -2.375 2.152 1.00 0.53 H new ATOM 0 HG2 LYS A 62 13.089 -3.423 3.911 1.00 1.30 H new ATOM 0 HG3 LYS A 62 13.511 -2.536 2.460 1.00 1.30 H new ATOM 0 HD2 LYS A 62 12.770 -0.518 3.306 1.00 2.20 H new ATOM 0 HD3 LYS A 62 11.401 -1.239 4.127 1.00 2.20 H new ATOM 0 HE2 LYS A 62 13.124 -2.251 5.790 1.00 3.77 H new ATOM 0 HE3 LYS A 62 14.302 -1.174 5.066 1.00 3.77 H new ATOM 0 HZ1 LYS A 62 13.315 -0.206 7.023 1.00 4.97 H new ATOM 0 HZ2 LYS A 62 12.901 0.706 5.651 1.00 4.97 H new ATOM 0 HZ3 LYS A 62 11.760 -0.338 6.353 1.00 4.97 H new ATOM 931 N ALA A 63 9.096 -2.582 4.657 1.00 0.39 N ATOM 932 CA ALA A 63 8.599 -1.809 5.788 1.00 0.40 C ATOM 933 C ALA A 63 8.323 -2.726 6.977 1.00 0.41 C ATOM 934 O ALA A 63 8.629 -2.362 8.111 1.00 0.56 O ATOM 935 CB ALA A 63 7.352 -1.013 5.397 1.00 0.40 C ATOM 0 H ALA A 63 8.534 -2.475 3.812 1.00 0.39 H new ATOM 0 HA ALA A 63 9.366 -1.093 6.084 1.00 0.40 H new ATOM 0 HB1 ALA A 63 6.999 -0.444 6.257 1.00 0.40 H new ATOM 0 HB2 ALA A 63 7.597 -0.329 4.585 1.00 0.40 H new ATOM 0 HB3 ALA A 63 6.570 -1.699 5.070 1.00 0.40 H new ATOM 941 N GLY A 64 7.783 -3.914 6.701 1.00 0.37 N ATOM 942 CA GLY A 64 7.664 -4.990 7.673 1.00 0.41 C ATOM 943 C GLY A 64 6.208 -5.392 7.837 1.00 0.42 C ATOM 944 O GLY A 64 5.683 -5.406 8.948 1.00 0.56 O ATOM 0 H GLY A 64 7.412 -4.154 5.782 1.00 0.37 H new ATOM 0 HA2 GLY A 64 8.251 -5.849 7.349 1.00 0.41 H new ATOM 0 HA3 GLY A 64 8.070 -4.670 8.632 1.00 0.41 H new ATOM 948 N TYR A 65 5.566 -5.731 6.719 1.00 0.41 N ATOM 949 CA TYR A 65 4.233 -6.305 6.680 1.00 0.49 C ATOM 950 C TYR A 65 4.294 -7.506 5.741 1.00 0.60 C ATOM 951 O TYR A 65 5.329 -7.742 5.120 1.00 1.20 O ATOM 952 CB TYR A 65 3.228 -5.251 6.192 1.00 0.51 C ATOM 953 CG TYR A 65 3.323 -3.911 6.903 1.00 0.51 C ATOM 954 CD1 TYR A 65 3.092 -3.835 8.288 1.00 1.83 C ATOM 955 CD2 TYR A 65 3.767 -2.770 6.209 1.00 1.71 C ATOM 956 CE1 TYR A 65 3.329 -2.636 8.982 1.00 1.81 C ATOM 957 CE2 TYR A 65 3.986 -1.564 6.898 1.00 1.81 C ATOM 958 CZ TYR A 65 3.796 -1.506 8.289 1.00 0.73 C ATOM 959 OH TYR A 65 4.112 -0.367 8.970 1.00 0.93 O ATOM 0 H TYR A 65 5.976 -5.608 5.793 1.00 0.41 H new ATOM 0 HA TYR A 65 3.902 -6.626 7.668 1.00 0.49 H new ATOM 0 HB2 TYR A 65 3.377 -5.092 5.124 1.00 0.51 H new ATOM 0 HB3 TYR A 65 2.219 -5.644 6.318 1.00 0.51 H new ATOM 0 HD1 TYR A 65 2.731 -4.702 8.821 1.00 1.83 H new ATOM 0 HD2 TYR A 65 3.940 -2.821 5.144 1.00 1.71 H new ATOM 0 HE1 TYR A 65 3.153 -2.583 10.046 1.00 1.81 H new ATOM 0 HE2 TYR A 65 4.300 -0.683 6.358 1.00 1.81 H new ATOM 0 HH TYR A 65 4.420 0.317 8.339 1.00 0.93 H new ATOM 969 N SER A 66 3.195 -8.249 5.626 1.00 0.45 N ATOM 970 CA SER A 66 2.999 -9.279 4.634 1.00 0.42 C ATOM 971 C SER A 66 1.754 -8.840 3.878 1.00 0.35 C ATOM 972 O SER A 66 0.715 -8.628 4.511 1.00 0.48 O ATOM 973 CB SER A 66 2.827 -10.636 5.326 1.00 0.56 C ATOM 974 OG SER A 66 2.029 -10.516 6.491 1.00 1.91 O ATOM 0 H SER A 66 2.394 -8.139 6.248 1.00 0.45 H new ATOM 0 HA SER A 66 3.842 -9.403 3.954 1.00 0.42 H new ATOM 0 HB2 SER A 66 2.366 -11.344 4.637 1.00 0.56 H new ATOM 0 HB3 SER A 66 3.804 -11.039 5.591 1.00 0.56 H new ATOM 0 HG SER A 66 1.315 -9.864 6.333 1.00 1.91 H new ATOM 980 N LEU A 67 1.863 -8.638 2.562 1.00 0.37 N ATOM 981 CA LEU A 67 0.701 -8.419 1.721 1.00 0.39 C ATOM 982 C LEU A 67 0.514 -9.569 0.747 1.00 0.51 C ATOM 983 O LEU A 67 1.339 -10.479 0.680 1.00 0.64 O ATOM 984 CB LEU A 67 0.752 -7.045 1.047 1.00 0.33 C ATOM 985 CG LEU A 67 1.864 -6.766 0.030 1.00 0.45 C ATOM 986 CD1 LEU A 67 1.738 -7.577 -1.261 1.00 0.94 C ATOM 987 CD2 LEU A 67 1.765 -5.269 -0.259 1.00 0.92 C ATOM 0 H LEU A 67 2.752 -8.623 2.062 1.00 0.37 H new ATOM 0 HA LEU A 67 -0.189 -8.405 2.350 1.00 0.39 H new ATOM 0 HB2 LEU A 67 -0.203 -6.887 0.545 1.00 0.33 H new ATOM 0 HB3 LEU A 67 0.827 -6.294 1.833 1.00 0.33 H new ATOM 0 HG LEU A 67 2.830 -7.062 0.439 1.00 0.45 H new ATOM 0 HD11 LEU A 67 2.560 -7.325 -1.931 1.00 0.94 H new ATOM 0 HD12 LEU A 67 1.773 -8.641 -1.027 1.00 0.94 H new ATOM 0 HD13 LEU A 67 0.790 -7.344 -1.746 1.00 0.94 H new ATOM 0 HD21 LEU A 67 2.531 -4.987 -0.982 1.00 0.92 H new ATOM 0 HD22 LEU A 67 0.780 -5.041 -0.666 1.00 0.92 H new ATOM 0 HD23 LEU A 67 1.914 -4.710 0.665 1.00 0.92 H new ATOM 999 N ARG A 68 -0.569 -9.507 -0.025 1.00 0.62 N ATOM 1000 CA ARG A 68 -0.770 -10.327 -1.193 1.00 0.75 C ATOM 1001 C ARG A 68 -1.221 -9.374 -2.281 1.00 0.70 C ATOM 1002 O ARG A 68 -2.124 -8.564 -2.057 1.00 0.99 O ATOM 1003 CB ARG A 68 -1.828 -11.399 -0.940 1.00 1.00 C ATOM 1004 CG ARG A 68 -1.362 -12.361 0.160 1.00 0.78 C ATOM 1005 CD ARG A 68 -2.214 -13.638 0.229 1.00 1.53 C ATOM 1006 NE ARG A 68 -1.425 -14.848 -0.072 1.00 1.78 N ATOM 1007 CZ ARG A 68 -1.174 -15.359 -1.290 1.00 2.71 C ATOM 1008 NH1 ARG A 68 -1.627 -14.741 -2.386 1.00 3.44 N ATOM 1009 NH2 ARG A 68 -0.470 -16.491 -1.408 1.00 3.58 N ATOM 0 H ARG A 68 -1.342 -8.867 0.158 1.00 0.62 H new ATOM 0 HA ARG A 68 0.141 -10.858 -1.469 1.00 0.75 H new ATOM 0 HB2 ARG A 68 -2.767 -10.930 -0.648 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -2.021 -11.953 -1.859 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -0.321 -12.632 -0.017 1.00 0.78 H new ATOM 0 HG3 ARG A 68 -1.399 -11.851 1.123 1.00 0.78 H new ATOM 0 HD2 ARG A 68 -2.651 -13.729 1.224 1.00 1.53 H new ATOM 0 HD3 ARG A 68 -3.041 -13.560 -0.477 1.00 1.53 H new ATOM 0 HE ARG A 68 -1.030 -15.347 0.725 1.00 1.78 H new ATOM 0 HH11 ARG A 68 -2.165 -13.879 -2.300 1.00 3.44 H new ATOM 0 HH12 ARG A 68 -1.434 -15.132 -3.308 1.00 3.44 H new ATOM 0 HH21 ARG A 68 -0.124 -16.966 -0.574 1.00 3.58 H new ATOM 0 HH22 ARG A 68 -0.279 -16.879 -2.332 1.00 3.58 H new ATOM 1023 N ASP A 69 -0.548 -9.458 -3.422 1.00 0.61 N ATOM 1024 CA ASP A 69 -0.840 -8.699 -4.609 1.00 0.61 C ATOM 1025 C ASP A 69 -2.255 -9.013 -5.061 1.00 0.53 C ATOM 1026 O ASP A 69 -2.487 -10.079 -5.631 1.00 0.76 O ATOM 1027 CB ASP A 69 0.140 -9.126 -5.706 1.00 0.95 C ATOM 1028 CG ASP A 69 1.376 -8.260 -5.702 1.00 2.06 C ATOM 1029 OD1 ASP A 69 2.315 -8.594 -4.958 1.00 3.37 O ATOM 1030 OD2 ASP A 69 1.307 -7.255 -6.443 1.00 2.99 O ATOM 0 H ASP A 69 0.247 -10.086 -3.540 1.00 0.61 H new ATOM 0 HA ASP A 69 -0.746 -7.631 -4.410 1.00 0.61 H new ATOM 0 HB2 ASP A 69 0.423 -10.168 -5.559 1.00 0.95 H new ATOM 0 HB3 ASP A 69 -0.348 -9.062 -6.678 1.00 0.95 H new ATOM 1035 N GLU A 70 -3.185 -8.088 -4.830 1.00 0.42 N ATOM 1036 CA GLU A 70 -4.512 -8.234 -5.391 1.00 0.43 C ATOM 1037 C GLU A 70 -4.580 -7.707 -6.824 1.00 0.50 C ATOM 1038 O GLU A 70 -3.677 -7.016 -7.302 1.00 0.60 O ATOM 1039 CB GLU A 70 -5.594 -7.581 -4.528 1.00 0.62 C ATOM 1040 CG GLU A 70 -6.371 -8.570 -3.668 1.00 0.46 C ATOM 1041 CD GLU A 70 -7.687 -7.929 -3.249 1.00 1.65 C ATOM 1042 OE1 GLU A 70 -7.624 -6.760 -2.808 1.00 3.00 O ATOM 1043 OE2 GLU A 70 -8.736 -8.583 -3.447 1.00 2.33 O ATOM 0 H GLU A 70 -3.042 -7.248 -4.269 1.00 0.42 H new ATOM 0 HA GLU A 70 -4.714 -9.305 -5.408 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -5.130 -6.837 -3.881 1.00 0.62 H new ATOM 0 HB3 GLU A 70 -6.292 -7.050 -5.176 1.00 0.62 H new ATOM 0 HG2 GLU A 70 -6.559 -9.488 -4.225 1.00 0.46 H new ATOM 0 HG3 GLU A 70 -5.788 -8.844 -2.789 1.00 0.46 H new ATOM 1050 N GLN A 71 -5.693 -8.031 -7.484 1.00 0.63 N ATOM 1051 CA GLN A 71 -6.125 -7.467 -8.750 1.00 0.69 C ATOM 1052 C GLN A 71 -6.128 -5.932 -8.726 1.00 0.75 C ATOM 1053 O GLN A 71 -6.027 -5.295 -7.678 1.00 0.88 O ATOM 1054 CB GLN A 71 -7.504 -8.034 -9.145 1.00 0.82 C ATOM 1055 CG GLN A 71 -8.692 -7.650 -8.237 1.00 1.68 C ATOM 1056 CD GLN A 71 -8.715 -8.365 -6.885 1.00 2.74 C ATOM 1057 OE1 GLN A 71 -7.982 -9.326 -6.665 1.00 3.84 O ATOM 1058 NE2 GLN A 71 -9.543 -7.891 -5.964 1.00 3.48 N ATOM 0 H GLN A 71 -6.345 -8.729 -7.127 1.00 0.63 H new ATOM 0 HA GLN A 71 -5.403 -7.761 -9.512 1.00 0.69 H new ATOM 0 HB2 GLN A 71 -7.730 -7.706 -10.160 1.00 0.82 H new ATOM 0 HB3 GLN A 71 -7.431 -9.121 -9.170 1.00 0.82 H new ATOM 0 HG2 GLN A 71 -8.668 -6.574 -8.064 1.00 1.68 H new ATOM 0 HG3 GLN A 71 -9.621 -7.867 -8.764 1.00 1.68 H new ATOM 0 HE21 GLN A 71 -10.139 -7.091 -6.177 1.00 3.48 H new ATOM 0 HE22 GLN A 71 -9.584 -8.326 -5.042 1.00 3.48 H new