USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 722 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl -167:sc= 0 (180deg=-0.057) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00753 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 154:sc= 0.1 (180deg=0.00818) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.0312 USER MOD Single : A 43 MET CE :methyl -135:sc= -0.314 (180deg=-2.86!) USER MOD Single : A 45 MET CE :methyl 146:sc= -2.33 (180deg=-3.84!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -2.6! C(o=-2.6!,f=-12!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -113:sc= -0.254 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.305 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.37) USER MOD Single : A 77 THR OG1 : rot -120:sc= 0.881 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.054 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.595 12.298 17.645 1.00 0.00 N ATOM 2 CA GLY A 1 -2.245 13.691 17.421 1.00 0.00 C ATOM 3 C GLY A 1 -1.075 14.112 18.313 1.00 0.00 C ATOM 4 O GLY A 1 -1.211 15.017 19.135 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.391 12.037 17.029 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.776 11.695 17.428 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.869 12.164 18.639 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.981 13.840 16.374 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.109 14.324 17.625 1.00 0.00 H new ATOM 8 N SER A 2 0.048 13.436 18.120 1.00 0.00 N ATOM 9 CA SER A 2 1.241 13.729 18.896 1.00 0.00 C ATOM 10 C SER A 2 2.402 14.074 17.961 1.00 0.00 C ATOM 11 O SER A 2 2.499 13.534 16.860 1.00 0.00 O ATOM 12 CB SER A 2 1.616 12.549 19.795 1.00 0.00 C ATOM 13 OG SER A 2 1.235 12.768 21.151 1.00 0.00 O ATOM 0 H SER A 2 0.157 12.686 17.437 1.00 0.00 H new ATOM 0 HA SER A 2 1.031 14.586 19.536 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.134 11.644 19.425 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.692 12.382 19.743 1.00 0.00 H new ATOM 0 HG SER A 2 1.490 11.992 21.692 1.00 0.00 H new ATOM 19 N SER A 3 3.254 14.972 18.435 1.00 0.00 N ATOM 20 CA SER A 3 4.405 15.395 17.655 1.00 0.00 C ATOM 21 C SER A 3 5.615 14.523 17.993 1.00 0.00 C ATOM 22 O SER A 3 5.870 14.234 19.161 1.00 0.00 O ATOM 23 CB SER A 3 4.726 16.870 17.905 1.00 0.00 C ATOM 24 OG SER A 3 5.621 17.394 16.928 1.00 0.00 O ATOM 0 H SER A 3 3.170 15.418 19.349 1.00 0.00 H new ATOM 0 HA SER A 3 4.165 15.277 16.598 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.802 17.448 17.898 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.165 16.983 18.896 1.00 0.00 H new ATOM 0 HG SER A 3 5.800 18.338 17.121 1.00 0.00 H new ATOM 30 N GLY A 4 6.330 14.128 16.949 1.00 0.00 N ATOM 31 CA GLY A 4 7.507 13.295 17.120 1.00 0.00 C ATOM 32 C GLY A 4 7.349 11.963 16.384 1.00 0.00 C ATOM 33 O GLY A 4 7.093 10.933 17.006 1.00 0.00 O ATOM 0 H GLY A 4 6.116 14.370 15.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.386 13.820 16.745 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.675 13.110 18.181 1.00 0.00 H new ATOM 37 N SER A 5 7.507 12.027 15.070 1.00 0.00 N ATOM 38 CA SER A 5 7.384 10.839 14.243 1.00 0.00 C ATOM 39 C SER A 5 8.287 10.962 13.013 1.00 0.00 C ATOM 40 O SER A 5 9.156 10.122 12.791 1.00 0.00 O ATOM 41 CB SER A 5 5.933 10.613 13.816 1.00 0.00 C ATOM 42 OG SER A 5 5.589 9.230 13.804 1.00 0.00 O ATOM 0 H SER A 5 7.719 12.883 14.558 1.00 0.00 H new ATOM 0 HA SER A 5 7.699 9.978 14.832 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.268 11.146 14.495 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.778 11.034 12.823 1.00 0.00 H new ATOM 0 HG SER A 5 4.654 9.128 13.528 1.00 0.00 H new ATOM 48 N SER A 6 8.049 12.017 12.248 1.00 0.00 N ATOM 49 CA SER A 6 8.829 12.261 11.046 1.00 0.00 C ATOM 50 C SER A 6 10.271 12.607 11.421 1.00 0.00 C ATOM 51 O SER A 6 10.574 13.754 11.746 1.00 0.00 O ATOM 52 CB SER A 6 8.214 13.384 10.209 1.00 0.00 C ATOM 53 OG SER A 6 9.100 13.836 9.189 1.00 0.00 O ATOM 0 H SER A 6 7.327 12.713 12.437 1.00 0.00 H new ATOM 0 HA SER A 6 8.824 11.352 10.444 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.288 13.032 9.755 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.953 14.219 10.859 1.00 0.00 H new ATOM 0 HG SER A 6 8.670 14.552 8.676 1.00 0.00 H new ATOM 59 N GLY A 7 11.123 11.594 11.362 1.00 0.00 N ATOM 60 CA GLY A 7 12.527 11.776 11.691 1.00 0.00 C ATOM 61 C GLY A 7 13.403 11.656 10.442 1.00 0.00 C ATOM 62 O GLY A 7 12.891 11.566 9.327 1.00 0.00 O ATOM 0 H GLY A 7 10.868 10.644 11.091 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.673 12.754 12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.831 11.031 12.426 1.00 0.00 H new ATOM 66 N VAL A 8 14.708 11.658 10.671 1.00 0.00 N ATOM 67 CA VAL A 8 15.659 11.551 9.578 1.00 0.00 C ATOM 68 C VAL A 8 16.110 10.095 9.441 1.00 0.00 C ATOM 69 O VAL A 8 16.680 9.528 10.372 1.00 0.00 O ATOM 70 CB VAL A 8 16.823 12.519 9.801 1.00 0.00 C ATOM 71 CG1 VAL A 8 17.722 12.040 10.944 1.00 0.00 C ATOM 72 CG2 VAL A 8 17.628 12.714 8.515 1.00 0.00 C ATOM 0 H VAL A 8 15.129 11.732 11.597 1.00 0.00 H new ATOM 0 HA VAL A 8 15.192 11.837 8.636 1.00 0.00 H new ATOM 0 HB VAL A 8 16.406 13.485 10.084 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.542 12.745 11.082 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.139 11.976 11.863 1.00 0.00 H new ATOM 0 HG13 VAL A 8 18.126 11.057 10.702 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.449 13.406 8.701 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.029 11.755 8.188 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.980 13.120 7.738 1.00 0.00 H new ATOM 82 N SER A 9 15.836 9.532 8.274 1.00 0.00 N ATOM 83 CA SER A 9 16.206 8.153 8.003 1.00 0.00 C ATOM 84 C SER A 9 15.752 7.756 6.597 1.00 0.00 C ATOM 85 O SER A 9 14.641 7.261 6.416 1.00 0.00 O ATOM 86 CB SER A 9 15.602 7.207 9.042 1.00 0.00 C ATOM 87 OG SER A 9 16.463 6.107 9.327 1.00 0.00 O ATOM 0 H SER A 9 15.362 10.005 7.505 1.00 0.00 H new ATOM 0 HA SER A 9 17.291 8.072 8.064 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.402 7.758 9.961 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.645 6.833 8.679 1.00 0.00 H new ATOM 0 HG SER A 9 16.043 5.527 9.996 1.00 0.00 H new ATOM 93 N SER A 10 16.635 7.989 5.637 1.00 0.00 N ATOM 94 CA SER A 10 16.339 7.662 4.252 1.00 0.00 C ATOM 95 C SER A 10 14.971 8.226 3.862 1.00 0.00 C ATOM 96 O SER A 10 13.947 7.575 4.062 1.00 0.00 O ATOM 97 CB SER A 10 16.373 6.149 4.024 1.00 0.00 C ATOM 98 OG SER A 10 17.639 5.587 4.359 1.00 0.00 O ATOM 0 H SER A 10 17.556 8.400 5.791 1.00 0.00 H new ATOM 0 HA SER A 10 17.105 8.115 3.623 1.00 0.00 H new ATOM 0 HB2 SER A 10 15.596 5.675 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 10 16.146 5.935 2.980 1.00 0.00 H new ATOM 0 HG SER A 10 17.620 4.620 4.201 1.00 0.00 H new ATOM 104 N GLN A 11 14.999 9.432 3.312 1.00 0.00 N ATOM 105 CA GLN A 11 13.775 10.091 2.892 1.00 0.00 C ATOM 106 C GLN A 11 13.691 10.133 1.365 1.00 0.00 C ATOM 107 O GLN A 11 14.671 9.847 0.678 1.00 0.00 O ATOM 108 CB GLN A 11 13.679 11.498 3.485 1.00 0.00 C ATOM 109 CG GLN A 11 14.768 12.409 2.915 1.00 0.00 C ATOM 110 CD GLN A 11 14.164 13.686 2.328 1.00 0.00 C ATOM 111 OE1 GLN A 11 13.102 14.139 2.721 1.00 0.00 O ATOM 112 NE2 GLN A 11 14.898 14.239 1.367 1.00 0.00 N ATOM 0 H GLN A 11 15.851 9.969 3.148 1.00 0.00 H new ATOM 0 HA GLN A 11 12.929 9.515 3.267 1.00 0.00 H new ATOM 0 HB2 GLN A 11 12.697 11.921 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.774 11.447 4.570 1.00 0.00 H new ATOM 0 HG2 GLN A 11 15.479 12.666 3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 11 15.324 11.877 2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 11 15.778 13.808 1.086 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.581 15.095 0.911 1.00 0.00 H new ATOM 121 N GLU A 12 12.512 10.490 0.879 1.00 0.00 N ATOM 122 CA GLU A 12 12.288 10.573 -0.555 1.00 0.00 C ATOM 123 C GLU A 12 10.904 11.160 -0.843 1.00 0.00 C ATOM 124 O GLU A 12 10.790 12.195 -1.498 1.00 0.00 O ATOM 125 CB GLU A 12 12.449 9.202 -1.215 1.00 0.00 C ATOM 126 CG GLU A 12 13.133 9.327 -2.578 1.00 0.00 C ATOM 127 CD GLU A 12 13.505 7.951 -3.133 1.00 0.00 C ATOM 128 OE1 GLU A 12 12.749 6.999 -2.843 1.00 0.00 O ATOM 129 OE2 GLU A 12 14.537 7.882 -3.835 1.00 0.00 O ATOM 0 H GLU A 12 11.701 10.725 1.452 1.00 0.00 H new ATOM 0 HA GLU A 12 13.039 11.237 -0.983 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.036 8.550 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.471 8.736 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.470 9.837 -3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.030 9.940 -2.484 1.00 0.00 H new ATOM 136 N THR A 13 9.889 10.474 -0.339 1.00 0.00 N ATOM 137 CA THR A 13 8.518 10.915 -0.533 1.00 0.00 C ATOM 138 C THR A 13 7.789 10.998 0.809 1.00 0.00 C ATOM 139 O THR A 13 8.124 10.276 1.747 1.00 0.00 O ATOM 140 CB THR A 13 7.853 9.964 -1.529 1.00 0.00 C ATOM 141 OG1 THR A 13 6.579 10.554 -1.776 1.00 0.00 O ATOM 142 CG2 THR A 13 7.519 8.606 -0.908 1.00 0.00 C ATOM 0 H THR A 13 9.988 9.616 0.203 1.00 0.00 H new ATOM 0 HA THR A 13 8.481 11.922 -0.949 1.00 0.00 H new ATOM 0 HB THR A 13 8.510 9.820 -2.387 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.081 10.002 -2.414 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.049 7.969 -1.657 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.435 8.133 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.835 8.747 -0.071 1.00 0.00 H new ATOM 150 N GLN A 14 6.805 11.884 0.858 1.00 0.00 N ATOM 151 CA GLN A 14 6.025 12.070 2.070 1.00 0.00 C ATOM 152 C GLN A 14 4.550 12.287 1.724 1.00 0.00 C ATOM 153 O GLN A 14 4.215 13.192 0.962 1.00 0.00 O ATOM 154 CB GLN A 14 6.571 13.234 2.900 1.00 0.00 C ATOM 155 CG GLN A 14 6.194 13.079 4.375 1.00 0.00 C ATOM 156 CD GLN A 14 7.121 13.908 5.267 1.00 0.00 C ATOM 157 OE1 GLN A 14 6.871 15.066 5.559 1.00 0.00 O ATOM 158 NE2 GLN A 14 8.201 13.253 5.682 1.00 0.00 N ATOM 0 H GLN A 14 6.530 12.481 0.078 1.00 0.00 H new ATOM 0 HA GLN A 14 6.107 11.166 2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.656 13.279 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.177 14.175 2.517 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.161 13.394 4.525 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.252 12.029 4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.349 12.284 5.400 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.881 13.719 6.282 1.00 0.00 H new ATOM 167 N GLY A 15 3.710 11.441 2.301 1.00 0.00 N ATOM 168 CA GLY A 15 2.279 11.529 2.064 1.00 0.00 C ATOM 169 C GLY A 15 1.714 10.181 1.612 1.00 0.00 C ATOM 170 O GLY A 15 1.397 9.999 0.437 1.00 0.00 O ATOM 0 H GLY A 15 3.993 10.691 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.775 11.851 2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.078 12.285 1.304 1.00 0.00 H new ATOM 174 N GLY A 16 1.605 9.271 2.568 1.00 0.00 N ATOM 175 CA GLY A 16 1.084 7.944 2.284 1.00 0.00 C ATOM 176 C GLY A 16 2.028 6.860 2.807 1.00 0.00 C ATOM 177 O GLY A 16 3.225 7.097 2.961 1.00 0.00 O ATOM 0 H GLY A 16 1.869 9.426 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.102 7.829 2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.948 7.825 1.209 1.00 0.00 H new ATOM 181 N PRO A 17 1.439 5.664 3.072 1.00 0.00 N ATOM 182 CA PRO A 17 2.215 4.542 3.574 1.00 0.00 C ATOM 183 C PRO A 17 3.061 3.919 2.462 1.00 0.00 C ATOM 184 O PRO A 17 2.807 4.150 1.281 1.00 0.00 O ATOM 185 CB PRO A 17 1.188 3.580 4.149 1.00 0.00 C ATOM 186 CG PRO A 17 -0.145 3.977 3.536 1.00 0.00 C ATOM 187 CD PRO A 17 0.024 5.347 2.900 1.00 0.00 C ATOM 0 HA PRO A 17 2.936 4.837 4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.439 2.548 3.903 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.154 3.649 5.236 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.455 3.245 2.790 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.923 4.004 4.299 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.253 5.331 1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.610 6.089 3.385 1.00 0.00 H new ATOM 195 N LEU A 18 4.048 3.141 2.879 1.00 0.00 N ATOM 196 CA LEU A 18 4.933 2.482 1.934 1.00 0.00 C ATOM 197 C LEU A 18 4.891 0.971 2.169 1.00 0.00 C ATOM 198 O LEU A 18 5.092 0.508 3.291 1.00 0.00 O ATOM 199 CB LEU A 18 6.340 3.078 2.012 1.00 0.00 C ATOM 200 CG LEU A 18 6.495 4.505 1.482 1.00 0.00 C ATOM 201 CD1 LEU A 18 7.957 4.953 1.532 1.00 0.00 C ATOM 202 CD2 LEU A 18 5.904 4.634 0.076 1.00 0.00 C ATOM 0 H LEU A 18 4.255 2.952 3.860 1.00 0.00 H new ATOM 0 HA LEU A 18 4.595 2.655 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.663 3.061 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.019 2.430 1.457 1.00 0.00 H new ATOM 0 HG LEU A 18 5.931 5.174 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.039 5.970 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.312 4.923 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.563 4.285 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.027 5.658 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.420 3.952 -0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.843 4.384 0.103 1.00 0.00 H new ATOM 214 N ALA A 19 4.629 0.244 1.093 1.00 0.00 N ATOM 215 CA ALA A 19 4.558 -1.206 1.169 1.00 0.00 C ATOM 216 C ALA A 19 5.765 -1.731 1.949 1.00 0.00 C ATOM 217 O ALA A 19 6.888 -1.276 1.741 1.00 0.00 O ATOM 218 CB ALA A 19 4.478 -1.787 -0.244 1.00 0.00 C ATOM 0 H ALA A 19 4.463 0.631 0.164 1.00 0.00 H new ATOM 0 HA ALA A 19 3.660 -1.520 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.425 -2.874 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.588 -1.405 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.364 -1.496 -0.808 1.00 0.00 H new ATOM 224 N PRO A 20 5.484 -2.707 2.853 1.00 0.00 N ATOM 225 CA PRO A 20 6.534 -3.300 3.665 1.00 0.00 C ATOM 226 C PRO A 20 7.388 -4.263 2.838 1.00 0.00 C ATOM 227 O PRO A 20 8.499 -4.611 3.237 1.00 0.00 O ATOM 228 CB PRO A 20 5.806 -3.985 4.810 1.00 0.00 C ATOM 229 CG PRO A 20 4.366 -4.148 4.350 1.00 0.00 C ATOM 230 CD PRO A 20 4.165 -3.271 3.126 1.00 0.00 C ATOM 0 HA PRO A 20 7.240 -2.562 4.045 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.256 -4.952 5.036 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.860 -3.388 5.720 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.158 -5.191 4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 20 3.677 -3.859 5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.799 -3.851 2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.431 -2.488 3.316 1.00 0.00 H new ATOM 238 N MET A 21 6.838 -4.666 1.703 1.00 0.00 N ATOM 239 CA MET A 21 7.536 -5.582 0.817 1.00 0.00 C ATOM 240 C MET A 21 6.681 -5.921 -0.406 1.00 0.00 C ATOM 241 O MET A 21 5.463 -5.755 -0.381 1.00 0.00 O ATOM 242 CB MET A 21 7.875 -6.867 1.575 1.00 0.00 C ATOM 243 CG MET A 21 6.665 -7.374 2.362 1.00 0.00 C ATOM 244 SD MET A 21 6.998 -7.290 4.114 1.00 0.00 S ATOM 245 CE MET A 21 8.165 -8.631 4.273 1.00 0.00 C ATOM 0 H MET A 21 5.917 -4.375 1.376 1.00 0.00 H new ATOM 0 HA MET A 21 8.451 -5.099 0.474 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.203 -7.633 0.872 1.00 0.00 H new ATOM 0 HB3 MET A 21 8.706 -6.683 2.256 1.00 0.00 H new ATOM 0 HG2 MET A 21 5.787 -6.775 2.121 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.438 -8.401 2.075 1.00 0.00 H new ATOM 0 HE1 MET A 21 8.303 -8.870 5.327 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.785 -9.508 3.748 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.121 -8.335 3.840 1.00 0.00 H new ATOM 255 N THR A 22 7.354 -6.390 -1.447 1.00 0.00 N ATOM 256 CA THR A 22 6.671 -6.753 -2.677 1.00 0.00 C ATOM 257 C THR A 22 5.608 -7.819 -2.402 1.00 0.00 C ATOM 258 O THR A 22 5.935 -8.979 -2.158 1.00 0.00 O ATOM 259 CB THR A 22 7.727 -7.197 -3.691 1.00 0.00 C ATOM 260 OG1 THR A 22 8.667 -6.125 -3.704 1.00 0.00 O ATOM 261 CG2 THR A 22 7.186 -7.235 -5.122 1.00 0.00 C ATOM 0 H THR A 22 8.365 -6.527 -1.464 1.00 0.00 H new ATOM 0 HA THR A 22 6.134 -5.903 -3.096 1.00 0.00 H new ATOM 0 HB THR A 22 8.100 -8.184 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.388 -6.330 -4.335 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.976 -7.556 -5.801 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.353 -7.935 -5.177 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.844 -6.240 -5.408 1.00 0.00 H new ATOM 269 N GLY A 23 4.356 -7.386 -2.450 1.00 0.00 N ATOM 270 CA GLY A 23 3.243 -8.289 -2.209 1.00 0.00 C ATOM 271 C GLY A 23 2.017 -7.877 -3.027 1.00 0.00 C ATOM 272 O GLY A 23 2.106 -7.006 -3.890 1.00 0.00 O ATOM 0 H GLY A 23 4.088 -6.423 -2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.533 -9.307 -2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.993 -8.290 -1.148 1.00 0.00 H new ATOM 276 N THR A 24 0.900 -8.524 -2.725 1.00 0.00 N ATOM 277 CA THR A 24 -0.342 -8.236 -3.421 1.00 0.00 C ATOM 278 C THR A 24 -1.429 -7.826 -2.426 1.00 0.00 C ATOM 279 O THR A 24 -1.574 -8.443 -1.371 1.00 0.00 O ATOM 280 CB THR A 24 -0.713 -9.464 -4.254 1.00 0.00 C ATOM 281 OG1 THR A 24 0.280 -9.504 -5.275 1.00 0.00 O ATOM 282 CG2 THR A 24 -2.025 -9.279 -5.019 1.00 0.00 C ATOM 0 H THR A 24 0.830 -9.246 -2.008 1.00 0.00 H new ATOM 0 HA THR A 24 -0.229 -7.389 -4.097 1.00 0.00 H new ATOM 0 HB THR A 24 -0.793 -10.334 -3.602 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.116 -10.272 -5.861 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.241 -10.180 -5.594 1.00 0.00 H new ATOM 0 HG22 THR A 24 -2.835 -9.096 -4.313 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.935 -8.430 -5.696 1.00 0.00 H new ATOM 290 N ILE A 25 -2.165 -6.788 -2.795 1.00 0.00 N ATOM 291 CA ILE A 25 -3.234 -6.289 -1.947 1.00 0.00 C ATOM 292 C ILE A 25 -4.401 -7.279 -1.969 1.00 0.00 C ATOM 293 O ILE A 25 -5.149 -7.340 -2.944 1.00 0.00 O ATOM 294 CB ILE A 25 -3.625 -4.868 -2.358 1.00 0.00 C ATOM 295 CG1 ILE A 25 -2.388 -3.979 -2.502 1.00 0.00 C ATOM 296 CG2 ILE A 25 -4.646 -4.277 -1.384 1.00 0.00 C ATOM 297 CD1 ILE A 25 -1.653 -3.842 -1.168 1.00 0.00 C ATOM 0 H ILE A 25 -2.042 -6.279 -3.670 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.897 -6.216 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.103 -4.915 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.717 -4.402 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.684 -2.993 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.907 -3.267 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.542 -4.897 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.217 -4.245 -0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -0.778 -3.205 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.319 -3.396 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.337 -4.827 -0.824 1.00 0.00 H new ATOM 309 N GLU A 26 -4.519 -8.029 -0.884 1.00 0.00 N ATOM 310 CA GLU A 26 -5.582 -9.013 -0.766 1.00 0.00 C ATOM 311 C GLU A 26 -6.921 -8.319 -0.503 1.00 0.00 C ATOM 312 O GLU A 26 -7.938 -8.683 -1.091 1.00 0.00 O ATOM 313 CB GLU A 26 -5.268 -10.032 0.331 1.00 0.00 C ATOM 314 CG GLU A 26 -6.264 -11.192 0.303 1.00 0.00 C ATOM 315 CD GLU A 26 -5.971 -12.139 -0.862 1.00 0.00 C ATOM 316 OE1 GLU A 26 -6.377 -11.791 -1.992 1.00 0.00 O ATOM 317 OE2 GLU A 26 -5.348 -13.190 -0.597 1.00 0.00 O ATOM 0 H GLU A 26 -3.896 -7.975 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.654 -9.555 -1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.256 -10.414 0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.300 -9.544 1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.215 -11.741 1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.278 -10.803 0.214 1.00 0.00 H new ATOM 324 N LYS A 27 -6.876 -7.333 0.381 1.00 0.00 N ATOM 325 CA LYS A 27 -8.073 -6.586 0.729 1.00 0.00 C ATOM 326 C LYS A 27 -7.755 -5.089 0.717 1.00 0.00 C ATOM 327 O LYS A 27 -6.589 -4.698 0.730 1.00 0.00 O ATOM 328 CB LYS A 27 -8.647 -7.082 2.057 1.00 0.00 C ATOM 329 CG LYS A 27 -9.807 -8.053 1.825 1.00 0.00 C ATOM 330 CD LYS A 27 -11.086 -7.299 1.456 1.00 0.00 C ATOM 331 CE LYS A 27 -11.867 -8.044 0.372 1.00 0.00 C ATOM 332 NZ LYS A 27 -13.006 -8.780 0.966 1.00 0.00 N ATOM 0 H LYS A 27 -6.030 -7.034 0.866 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.855 -6.753 -0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.865 -7.576 2.634 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.991 -6.233 2.648 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.549 -8.750 1.028 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.976 -8.645 2.724 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.710 -7.179 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.834 -6.298 1.105 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.232 -7.337 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.207 -8.740 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.525 -9.280 0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.651 -9.469 1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.644 -8.109 1.440 1.00 0.00 H new ATOM 346 N VAL A 28 -8.813 -4.293 0.691 1.00 0.00 N ATOM 347 CA VAL A 28 -8.662 -2.848 0.677 1.00 0.00 C ATOM 348 C VAL A 28 -9.793 -2.213 1.490 1.00 0.00 C ATOM 349 O VAL A 28 -10.890 -2.004 0.975 1.00 0.00 O ATOM 350 CB VAL A 28 -8.606 -2.341 -0.766 1.00 0.00 C ATOM 351 CG1 VAL A 28 -8.751 -0.819 -0.818 1.00 0.00 C ATOM 352 CG2 VAL A 28 -7.317 -2.793 -1.455 1.00 0.00 C ATOM 0 H VAL A 28 -9.779 -4.621 0.679 1.00 0.00 H new ATOM 0 HA VAL A 28 -7.722 -2.558 1.146 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.446 -2.776 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.708 -0.485 -1.855 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.708 -0.530 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.941 -0.357 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.302 -2.420 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.457 -2.400 -0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.272 -3.882 -1.465 1.00 0.00 H new ATOM 362 N PHE A 29 -9.486 -1.923 2.746 1.00 0.00 N ATOM 363 CA PHE A 29 -10.462 -1.317 3.634 1.00 0.00 C ATOM 364 C PHE A 29 -10.251 0.196 3.731 1.00 0.00 C ATOM 365 O PHE A 29 -10.173 0.746 4.828 1.00 0.00 O ATOM 366 CB PHE A 29 -10.255 -1.938 5.017 1.00 0.00 C ATOM 367 CG PHE A 29 -10.258 -3.468 5.018 1.00 0.00 C ATOM 368 CD1 PHE A 29 -11.328 -4.147 4.525 1.00 0.00 C ATOM 369 CD2 PHE A 29 -9.190 -4.149 5.513 1.00 0.00 C ATOM 370 CE1 PHE A 29 -11.330 -5.567 4.526 1.00 0.00 C ATOM 371 CE2 PHE A 29 -9.192 -5.569 5.515 1.00 0.00 C ATOM 372 CZ PHE A 29 -10.262 -6.248 5.021 1.00 0.00 C ATOM 0 H PHE A 29 -8.574 -2.097 3.169 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.469 -1.493 3.255 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -9.307 -1.586 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.040 -1.583 5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -12.176 -3.606 4.133 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.340 -3.610 5.905 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -12.180 -6.106 4.134 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.344 -6.110 5.909 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.263 -7.328 5.022 1.00 0.00 H new ATOM 382 N VAL A 30 -10.163 0.824 2.567 1.00 0.00 N ATOM 383 CA VAL A 30 -9.962 2.262 2.507 1.00 0.00 C ATOM 384 C VAL A 30 -10.588 2.806 1.221 1.00 0.00 C ATOM 385 O VAL A 30 -11.198 2.059 0.458 1.00 0.00 O ATOM 386 CB VAL A 30 -8.473 2.588 2.632 1.00 0.00 C ATOM 387 CG1 VAL A 30 -7.941 2.199 4.013 1.00 0.00 C ATOM 388 CG2 VAL A 30 -7.668 1.908 1.523 1.00 0.00 C ATOM 0 H VAL A 30 -10.227 0.364 1.659 1.00 0.00 H new ATOM 0 HA VAL A 30 -10.459 2.753 3.344 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.355 3.666 2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.880 2.441 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.485 2.749 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.079 1.129 4.168 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.613 2.156 1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.796 0.828 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.021 2.255 0.552 1.00 0.00 H new ATOM 398 N LYS A 31 -10.414 4.104 1.019 1.00 0.00 N ATOM 399 CA LYS A 31 -10.953 4.757 -0.161 1.00 0.00 C ATOM 400 C LYS A 31 -10.546 6.232 -0.154 1.00 0.00 C ATOM 401 O LYS A 31 -9.689 6.639 0.629 1.00 0.00 O ATOM 402 CB LYS A 31 -12.464 4.537 -0.252 1.00 0.00 C ATOM 403 CG LYS A 31 -13.163 4.997 1.029 1.00 0.00 C ATOM 404 CD LYS A 31 -13.883 6.329 0.812 1.00 0.00 C ATOM 405 CE LYS A 31 -15.319 6.269 1.337 1.00 0.00 C ATOM 406 NZ LYS A 31 -15.787 7.618 1.724 1.00 0.00 N ATOM 0 H LYS A 31 -9.907 4.721 1.653 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.534 4.315 -1.065 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.864 5.084 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.672 3.481 -0.425 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.879 4.240 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.431 5.101 1.830 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.340 7.127 1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.890 6.573 -0.250 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.975 5.856 0.571 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.371 5.600 2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.824 7.659 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.499 7.818 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.368 8.326 1.088 1.00 0.00 H new ATOM 420 N ALA A 32 -11.179 6.992 -1.035 1.00 0.00 N ATOM 421 CA ALA A 32 -10.894 8.413 -1.140 1.00 0.00 C ATOM 422 C ALA A 32 -11.907 9.196 -0.301 1.00 0.00 C ATOM 423 O ALA A 32 -13.082 8.836 -0.246 1.00 0.00 O ATOM 424 CB ALA A 32 -10.909 8.830 -2.612 1.00 0.00 C ATOM 0 H ALA A 32 -11.889 6.651 -1.683 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.901 8.635 -0.749 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.695 9.896 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.152 8.267 -3.157 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.891 8.625 -3.038 1.00 0.00 H new ATOM 430 N GLY A 33 -11.414 10.251 0.331 1.00 0.00 N ATOM 431 CA GLY A 33 -12.262 11.087 1.163 1.00 0.00 C ATOM 432 C GLY A 33 -12.757 10.317 2.389 1.00 0.00 C ATOM 433 O GLY A 33 -13.757 10.691 2.999 1.00 0.00 O ATOM 0 H GLY A 33 -10.439 10.546 0.284 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.708 11.969 1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.114 11.439 0.582 1.00 0.00 H new ATOM 437 N ASP A 34 -12.034 9.255 2.713 1.00 0.00 N ATOM 438 CA ASP A 34 -12.387 8.429 3.855 1.00 0.00 C ATOM 439 C ASP A 34 -11.581 8.881 5.075 1.00 0.00 C ATOM 440 O ASP A 34 -10.565 9.559 4.935 1.00 0.00 O ATOM 441 CB ASP A 34 -12.062 6.958 3.592 1.00 0.00 C ATOM 442 CG ASP A 34 -13.191 5.978 3.918 1.00 0.00 C ATOM 443 OD1 ASP A 34 -14.342 6.454 4.027 1.00 0.00 O ATOM 444 OD2 ASP A 34 -12.878 4.775 4.051 1.00 0.00 O ATOM 0 H ASP A 34 -11.205 8.948 2.204 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.457 8.536 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -11.793 6.843 2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.184 6.685 4.177 1.00 0.00 H new ATOM 449 N LYS A 35 -12.065 8.486 6.243 1.00 0.00 N ATOM 450 CA LYS A 35 -11.402 8.842 7.486 1.00 0.00 C ATOM 451 C LYS A 35 -10.935 7.567 8.193 1.00 0.00 C ATOM 452 O LYS A 35 -11.622 6.548 8.160 1.00 0.00 O ATOM 453 CB LYS A 35 -12.311 9.723 8.345 1.00 0.00 C ATOM 454 CG LYS A 35 -12.556 11.076 7.673 1.00 0.00 C ATOM 455 CD LYS A 35 -13.926 11.110 6.993 1.00 0.00 C ATOM 456 CE LYS A 35 -14.052 12.327 6.075 1.00 0.00 C ATOM 457 NZ LYS A 35 -14.860 13.384 6.724 1.00 0.00 N ATOM 0 H LYS A 35 -12.908 7.923 6.355 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.513 9.440 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.262 9.218 8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.856 9.876 9.324 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.495 11.871 8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.776 11.267 6.936 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -14.072 10.197 6.415 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -14.711 11.137 7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.061 12.714 5.836 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.516 12.033 5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.936 14.203 6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.811 13.017 6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.402 13.676 7.611 1.00 0.00 H new ATOM 471 N VAL A 36 -9.770 7.667 8.816 1.00 0.00 N ATOM 472 CA VAL A 36 -9.204 6.535 9.530 1.00 0.00 C ATOM 473 C VAL A 36 -8.489 7.036 10.787 1.00 0.00 C ATOM 474 O VAL A 36 -8.138 8.212 10.879 1.00 0.00 O ATOM 475 CB VAL A 36 -8.289 5.736 8.601 1.00 0.00 C ATOM 476 CG1 VAL A 36 -9.072 5.169 7.414 1.00 0.00 C ATOM 477 CG2 VAL A 36 -7.112 6.588 8.123 1.00 0.00 C ATOM 0 H VAL A 36 -9.203 8.514 8.841 1.00 0.00 H new ATOM 0 HA VAL A 36 -9.992 5.855 9.853 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.887 4.897 9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.398 4.605 6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -9.860 4.510 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -9.517 5.987 6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.478 5.995 7.464 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.488 7.456 7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.531 6.921 8.983 1.00 0.00 H new ATOM 487 N LYS A 37 -8.295 6.120 11.723 1.00 0.00 N ATOM 488 CA LYS A 37 -7.628 6.453 12.970 1.00 0.00 C ATOM 489 C LYS A 37 -6.232 5.827 12.981 1.00 0.00 C ATOM 490 O LYS A 37 -6.070 4.659 12.631 1.00 0.00 O ATOM 491 CB LYS A 37 -8.493 6.049 14.166 1.00 0.00 C ATOM 492 CG LYS A 37 -9.978 6.272 13.869 1.00 0.00 C ATOM 493 CD LYS A 37 -10.546 5.130 13.024 1.00 0.00 C ATOM 494 CE LYS A 37 -11.816 4.559 13.657 1.00 0.00 C ATOM 495 NZ LYS A 37 -13.019 5.104 12.988 1.00 0.00 N ATOM 0 H LYS A 37 -8.588 5.146 11.643 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.494 7.532 13.053 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.320 5.000 14.407 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.203 6.629 15.042 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.532 6.347 14.805 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.109 7.218 13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.767 5.491 12.020 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.800 4.342 12.923 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.811 3.472 13.580 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.841 4.803 14.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.872 4.706 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.030 6.140 13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.001 4.850 11.980 1.00 0.00 H new ATOM 509 N ALA A 38 -5.261 6.631 13.387 1.00 0.00 N ATOM 510 CA ALA A 38 -3.884 6.170 13.448 1.00 0.00 C ATOM 511 C ALA A 38 -3.854 4.735 13.979 1.00 0.00 C ATOM 512 O ALA A 38 -4.183 4.493 15.140 1.00 0.00 O ATOM 513 CB ALA A 38 -3.062 7.129 14.311 1.00 0.00 C ATOM 0 H ALA A 38 -5.400 7.599 13.677 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.437 6.163 12.454 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.029 6.783 14.357 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.091 8.127 13.874 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.479 7.161 15.318 1.00 0.00 H new ATOM 519 N GLY A 39 -3.458 3.822 13.105 1.00 0.00 N ATOM 520 CA GLY A 39 -3.381 2.419 13.472 1.00 0.00 C ATOM 521 C GLY A 39 -4.635 1.665 13.024 1.00 0.00 C ATOM 522 O GLY A 39 -5.190 0.871 13.782 1.00 0.00 O ATOM 0 H GLY A 39 -3.187 4.027 12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.499 1.968 13.017 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.264 2.328 14.552 1.00 0.00 H new ATOM 526 N ASP A 40 -5.046 1.942 11.795 1.00 0.00 N ATOM 527 CA ASP A 40 -6.224 1.300 11.237 1.00 0.00 C ATOM 528 C ASP A 40 -5.803 0.374 10.095 1.00 0.00 C ATOM 529 O ASP A 40 -4.879 0.688 9.345 1.00 0.00 O ATOM 530 CB ASP A 40 -7.199 2.335 10.672 1.00 0.00 C ATOM 531 CG ASP A 40 -8.275 2.811 11.650 1.00 0.00 C ATOM 532 OD1 ASP A 40 -7.941 2.929 12.848 1.00 0.00 O ATOM 533 OD2 ASP A 40 -9.408 3.047 11.176 1.00 0.00 O ATOM 0 H ASP A 40 -4.584 2.603 11.170 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.713 0.741 12.035 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.630 3.200 10.332 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.688 1.911 9.795 1.00 0.00 H new ATOM 538 N SER A 41 -6.500 -0.748 9.997 1.00 0.00 N ATOM 539 CA SER A 41 -6.210 -1.722 8.959 1.00 0.00 C ATOM 540 C SER A 41 -6.648 -1.180 7.597 1.00 0.00 C ATOM 541 O SER A 41 -7.750 -1.470 7.135 1.00 0.00 O ATOM 542 CB SER A 41 -6.901 -3.056 9.246 1.00 0.00 C ATOM 543 OG SER A 41 -8.212 -2.876 9.775 1.00 0.00 O ATOM 0 H SER A 41 -7.266 -1.005 10.620 1.00 0.00 H new ATOM 0 HA SER A 41 -5.134 -1.897 8.945 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.958 -3.640 8.327 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.301 -3.630 9.952 1.00 0.00 H new ATOM 0 HG SER A 41 -8.620 -3.751 9.943 1.00 0.00 H new ATOM 549 N LEU A 42 -5.761 -0.404 6.992 1.00 0.00 N ATOM 550 CA LEU A 42 -6.042 0.181 5.691 1.00 0.00 C ATOM 551 C LEU A 42 -6.343 -0.935 4.689 1.00 0.00 C ATOM 552 O LEU A 42 -7.491 -1.123 4.291 1.00 0.00 O ATOM 553 CB LEU A 42 -4.900 1.103 5.260 1.00 0.00 C ATOM 554 CG LEU A 42 -4.566 2.250 6.216 1.00 0.00 C ATOM 555 CD1 LEU A 42 -3.280 2.962 5.791 1.00 0.00 C ATOM 556 CD2 LEU A 42 -5.743 3.219 6.342 1.00 0.00 C ATOM 0 H LEU A 42 -4.847 -0.166 7.378 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.929 0.813 5.741 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.004 0.498 5.123 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.150 1.528 4.288 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.388 1.829 7.206 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.066 3.773 6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.453 2.252 5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.404 3.369 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.479 4.025 7.027 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.976 3.637 5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.613 2.687 6.726 1.00 0.00 H new ATOM 568 N MET A 43 -5.291 -1.647 4.311 1.00 0.00 N ATOM 569 CA MET A 43 -5.429 -2.739 3.363 1.00 0.00 C ATOM 570 C MET A 43 -4.661 -3.975 3.836 1.00 0.00 C ATOM 571 O MET A 43 -4.009 -3.944 4.879 1.00 0.00 O ATOM 572 CB MET A 43 -4.898 -2.300 1.997 1.00 0.00 C ATOM 573 CG MET A 43 -5.252 -0.838 1.715 1.00 0.00 C ATOM 574 SD MET A 43 -5.909 -0.677 0.063 1.00 0.00 S ATOM 575 CE MET A 43 -4.473 -0.033 -0.779 1.00 0.00 C ATOM 0 H MET A 43 -4.340 -1.489 4.644 1.00 0.00 H new ATOM 0 HA MET A 43 -6.485 -2.997 3.286 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.816 -2.429 1.965 1.00 0.00 H new ATOM 0 HB3 MET A 43 -5.318 -2.936 1.218 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.984 -0.486 2.442 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.366 -0.213 1.825 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.769 0.796 -1.422 1.00 0.00 H new ATOM 0 HE2 MET A 43 -3.748 0.318 -0.045 1.00 0.00 H new ATOM 0 HE3 MET A 43 -4.024 -0.819 -1.386 1.00 0.00 H new ATOM 585 N VAL A 44 -4.763 -5.034 3.046 1.00 0.00 N ATOM 586 CA VAL A 44 -4.086 -6.278 3.371 1.00 0.00 C ATOM 587 C VAL A 44 -3.221 -6.708 2.185 1.00 0.00 C ATOM 588 O VAL A 44 -3.680 -6.702 1.043 1.00 0.00 O ATOM 589 CB VAL A 44 -5.110 -7.339 3.780 1.00 0.00 C ATOM 590 CG1 VAL A 44 -4.425 -8.674 4.081 1.00 0.00 C ATOM 591 CG2 VAL A 44 -5.940 -6.868 4.976 1.00 0.00 C ATOM 0 H VAL A 44 -5.304 -5.056 2.182 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.422 -6.140 4.224 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.788 -7.491 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.175 -9.411 4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.898 -9.021 3.192 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.714 -8.542 4.896 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.660 -7.641 5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.281 -6.674 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.471 -5.953 4.713 1.00 0.00 H new ATOM 601 N MET A 45 -1.986 -7.071 2.495 1.00 0.00 N ATOM 602 CA MET A 45 -1.053 -7.503 1.468 1.00 0.00 C ATOM 603 C MET A 45 -0.726 -8.991 1.615 1.00 0.00 C ATOM 604 O MET A 45 -1.001 -9.591 2.653 1.00 0.00 O ATOM 605 CB MET A 45 0.236 -6.685 1.572 1.00 0.00 C ATOM 606 CG MET A 45 0.213 -5.500 0.605 1.00 0.00 C ATOM 607 SD MET A 45 1.736 -4.578 0.732 1.00 0.00 S ATOM 608 CE MET A 45 2.379 -4.814 -0.917 1.00 0.00 C ATOM 0 H MET A 45 -1.609 -7.075 3.443 1.00 0.00 H new ATOM 0 HA MET A 45 -1.516 -7.346 0.494 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.360 -6.324 2.593 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.093 -7.321 1.353 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.078 -5.856 -0.416 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.634 -4.852 0.831 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.921 -3.921 -1.227 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.054 -5.670 -0.925 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.555 -4.996 -1.606 1.00 0.00 H new ATOM 618 N ILE A 46 -0.144 -9.543 0.560 1.00 0.00 N ATOM 619 CA ILE A 46 0.222 -10.949 0.559 1.00 0.00 C ATOM 620 C ILE A 46 1.620 -11.106 -0.044 1.00 0.00 C ATOM 621 O ILE A 46 1.813 -10.885 -1.238 1.00 0.00 O ATOM 622 CB ILE A 46 -0.849 -11.782 -0.148 1.00 0.00 C ATOM 623 CG1 ILE A 46 -2.201 -11.647 0.556 1.00 0.00 C ATOM 624 CG2 ILE A 46 -0.413 -13.242 -0.276 1.00 0.00 C ATOM 625 CD1 ILE A 46 -2.255 -12.522 1.811 1.00 0.00 C ATOM 0 H ILE A 46 0.083 -9.042 -0.299 1.00 0.00 H new ATOM 0 HA ILE A 46 0.268 -11.331 1.579 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.972 -11.394 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.372 -10.605 0.827 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.001 -11.934 -0.127 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.193 -13.811 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.510 -13.297 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.245 -13.660 0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.226 -12.408 2.293 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.108 -13.566 1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.469 -12.216 2.502 1.00 0.00 H new ATOM 637 N ALA A 47 2.559 -11.487 0.810 1.00 0.00 N ATOM 638 CA ALA A 47 3.932 -11.677 0.377 1.00 0.00 C ATOM 639 C ALA A 47 4.327 -13.142 0.574 1.00 0.00 C ATOM 640 O ALA A 47 4.433 -13.895 -0.392 1.00 0.00 O ATOM 641 CB ALA A 47 4.846 -10.719 1.143 1.00 0.00 C ATOM 0 H ALA A 47 2.395 -11.669 1.800 1.00 0.00 H new ATOM 0 HA ALA A 47 4.035 -11.448 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.877 -10.862 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.542 -9.691 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.771 -10.921 2.211 1.00 0.00 H new ATOM 647 N MET A 48 4.534 -13.502 1.832 1.00 0.00 N ATOM 648 CA MET A 48 4.915 -14.863 2.168 1.00 0.00 C ATOM 649 C MET A 48 3.694 -15.689 2.578 1.00 0.00 C ATOM 650 O MET A 48 3.613 -16.166 3.709 1.00 0.00 O ATOM 651 CB MET A 48 5.926 -14.842 3.317 1.00 0.00 C ATOM 652 CG MET A 48 7.330 -14.517 2.805 1.00 0.00 C ATOM 653 SD MET A 48 8.516 -15.644 3.518 1.00 0.00 S ATOM 654 CE MET A 48 8.589 -16.875 2.227 1.00 0.00 C ATOM 0 H MET A 48 4.445 -12.874 2.631 1.00 0.00 H new ATOM 0 HA MET A 48 5.362 -15.323 1.287 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.625 -14.101 4.058 1.00 0.00 H new ATOM 0 HB3 MET A 48 5.933 -15.810 3.818 1.00 0.00 H new ATOM 0 HG2 MET A 48 7.355 -14.589 1.718 1.00 0.00 H new ATOM 0 HG3 MET A 48 7.591 -13.491 3.062 1.00 0.00 H new ATOM 0 HE1 MET A 48 9.290 -17.660 2.512 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.599 -17.308 2.081 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.922 -16.410 1.299 1.00 0.00 H new ATOM 664 N LYS A 49 2.773 -15.832 1.636 1.00 0.00 N ATOM 665 CA LYS A 49 1.560 -16.592 1.884 1.00 0.00 C ATOM 666 C LYS A 49 0.981 -16.191 3.243 1.00 0.00 C ATOM 667 O LYS A 49 0.293 -16.981 3.886 1.00 0.00 O ATOM 668 CB LYS A 49 1.830 -18.092 1.750 1.00 0.00 C ATOM 669 CG LYS A 49 1.734 -18.537 0.289 1.00 0.00 C ATOM 670 CD LYS A 49 0.575 -19.515 0.089 1.00 0.00 C ATOM 671 CE LYS A 49 0.668 -20.205 -1.273 1.00 0.00 C ATOM 672 NZ LYS A 49 -0.465 -21.138 -1.461 1.00 0.00 N ATOM 0 H LYS A 49 2.843 -15.434 0.699 1.00 0.00 H new ATOM 0 HA LYS A 49 0.805 -16.359 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.821 -18.323 2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.112 -18.650 2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.594 -17.666 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.669 -19.009 -0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.585 -20.264 0.881 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.373 -18.982 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.667 -19.458 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.610 -20.748 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.386 -21.597 -2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.446 -21.862 -0.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.360 -20.611 -1.410 1.00 0.00 H new ATOM 686 N MET A 50 1.282 -14.962 3.639 1.00 0.00 N ATOM 687 CA MET A 50 0.800 -14.447 4.909 1.00 0.00 C ATOM 688 C MET A 50 0.047 -13.129 4.715 1.00 0.00 C ATOM 689 O MET A 50 0.332 -12.378 3.784 1.00 0.00 O ATOM 690 CB MET A 50 1.984 -14.224 5.852 1.00 0.00 C ATOM 691 CG MET A 50 2.325 -15.506 6.615 1.00 0.00 C ATOM 692 SD MET A 50 1.816 -15.355 8.319 1.00 0.00 S ATOM 693 CE MET A 50 3.242 -14.523 8.997 1.00 0.00 C ATOM 0 H MET A 50 1.853 -14.309 3.103 1.00 0.00 H new ATOM 0 HA MET A 50 0.114 -15.177 5.339 1.00 0.00 H new ATOM 0 HB2 MET A 50 2.852 -13.895 5.281 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.747 -13.428 6.558 1.00 0.00 H new ATOM 0 HG2 MET A 50 1.827 -16.358 6.152 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.397 -15.696 6.562 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.090 -14.350 10.062 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.127 -15.142 8.853 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.381 -13.568 8.490 1.00 0.00 H new ATOM 703 N GLU A 51 -0.900 -12.889 5.611 1.00 0.00 N ATOM 704 CA GLU A 51 -1.696 -11.675 5.550 1.00 0.00 C ATOM 705 C GLU A 51 -0.985 -10.537 6.285 1.00 0.00 C ATOM 706 O GLU A 51 -0.697 -10.647 7.476 1.00 0.00 O ATOM 707 CB GLU A 51 -3.095 -11.908 6.123 1.00 0.00 C ATOM 708 CG GLU A 51 -3.801 -13.056 5.398 1.00 0.00 C ATOM 709 CD GLU A 51 -3.552 -14.388 6.108 1.00 0.00 C ATOM 710 OE1 GLU A 51 -4.237 -14.625 7.126 1.00 0.00 O ATOM 711 OE2 GLU A 51 -2.684 -15.140 5.616 1.00 0.00 O ATOM 0 H GLU A 51 -1.133 -13.514 6.382 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.810 -11.390 4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.023 -12.135 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.686 -10.997 6.031 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.872 -12.858 5.353 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.444 -13.116 4.370 1.00 0.00 H new ATOM 718 N HIS A 52 -0.724 -9.469 5.545 1.00 0.00 N ATOM 719 CA HIS A 52 -0.053 -8.312 6.112 1.00 0.00 C ATOM 720 C HIS A 52 -1.051 -7.164 6.266 1.00 0.00 C ATOM 721 O HIS A 52 -1.600 -6.676 5.279 1.00 0.00 O ATOM 722 CB HIS A 52 1.168 -7.928 5.273 1.00 0.00 C ATOM 723 CG HIS A 52 1.892 -9.106 4.667 1.00 0.00 C ATOM 724 ND1 HIS A 52 2.333 -10.182 5.417 1.00 0.00 N ATOM 725 CD2 HIS A 52 2.248 -9.365 3.376 1.00 0.00 C ATOM 726 CE1 HIS A 52 2.925 -11.044 4.604 1.00 0.00 C ATOM 727 NE2 HIS A 52 2.872 -10.536 3.340 1.00 0.00 N ATOM 0 H HIS A 52 -0.965 -9.381 4.558 1.00 0.00 H new ATOM 0 HA HIS A 52 0.323 -8.556 7.106 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.850 -7.259 4.473 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.864 -7.369 5.898 1.00 0.00 H new ATOM 0 HD1 HIS A 52 2.221 -10.293 6.425 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.055 -8.726 2.527 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.371 -11.984 4.892 1.00 0.00 H new ATOM 735 N THR A 53 -1.258 -6.764 7.512 1.00 0.00 N ATOM 736 CA THR A 53 -2.181 -5.682 7.808 1.00 0.00 C ATOM 737 C THR A 53 -1.448 -4.339 7.802 1.00 0.00 C ATOM 738 O THR A 53 -0.811 -3.970 8.788 1.00 0.00 O ATOM 739 CB THR A 53 -2.864 -5.995 9.141 1.00 0.00 C ATOM 740 OG1 THR A 53 -3.394 -7.306 8.960 1.00 0.00 O ATOM 741 CG2 THR A 53 -4.099 -5.125 9.384 1.00 0.00 C ATOM 0 H THR A 53 -0.802 -7.170 8.329 1.00 0.00 H new ATOM 0 HA THR A 53 -2.952 -5.599 7.042 1.00 0.00 H new ATOM 0 HB THR A 53 -2.153 -5.853 9.955 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.853 -7.589 9.778 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.546 -5.387 10.343 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.808 -4.075 9.395 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.824 -5.292 8.588 1.00 0.00 H new ATOM 749 N ILE A 54 -1.563 -3.644 6.680 1.00 0.00 N ATOM 750 CA ILE A 54 -0.919 -2.350 6.532 1.00 0.00 C ATOM 751 C ILE A 54 -1.640 -1.324 7.409 1.00 0.00 C ATOM 752 O ILE A 54 -2.639 -0.739 6.993 1.00 0.00 O ATOM 753 CB ILE A 54 -0.846 -1.953 5.056 1.00 0.00 C ATOM 754 CG1 ILE A 54 0.340 -2.629 4.365 1.00 0.00 C ATOM 755 CG2 ILE A 54 -0.810 -0.432 4.898 1.00 0.00 C ATOM 756 CD1 ILE A 54 -0.037 -4.028 3.872 1.00 0.00 C ATOM 0 H ILE A 54 -2.093 -3.953 5.865 1.00 0.00 H new ATOM 0 HA ILE A 54 0.114 -2.397 6.877 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.751 -2.306 4.562 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.671 -2.020 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.179 -2.697 5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.758 -0.177 3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.712 0.000 5.332 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.066 -0.034 5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.824 -4.486 3.385 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.344 -4.642 4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.860 -3.954 3.161 1.00 0.00 H new ATOM 768 N LYS A 55 -1.104 -1.136 8.606 1.00 0.00 N ATOM 769 CA LYS A 55 -1.683 -0.191 9.546 1.00 0.00 C ATOM 770 C LYS A 55 -1.237 1.225 9.178 1.00 0.00 C ATOM 771 O LYS A 55 -0.082 1.441 8.814 1.00 0.00 O ATOM 772 CB LYS A 55 -1.345 -0.589 10.984 1.00 0.00 C ATOM 773 CG LYS A 55 -2.153 -1.813 11.419 1.00 0.00 C ATOM 774 CD LYS A 55 -3.342 -1.403 12.291 1.00 0.00 C ATOM 775 CE LYS A 55 -4.323 -2.564 12.461 1.00 0.00 C ATOM 776 NZ LYS A 55 -4.392 -2.981 13.879 1.00 0.00 N ATOM 0 H LYS A 55 -0.275 -1.622 8.947 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.771 -0.209 9.483 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.280 -0.805 11.064 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.553 0.245 11.654 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.510 -2.349 10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.511 -2.499 11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.986 -1.077 13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.853 -0.553 11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.313 -2.265 12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.010 -3.406 11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.062 -3.770 13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.450 -3.286 14.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.712 -2.181 14.461 1.00 0.00 H new ATOM 790 N SER A 56 -2.176 2.154 9.285 1.00 0.00 N ATOM 791 CA SER A 56 -1.893 3.544 8.968 1.00 0.00 C ATOM 792 C SER A 56 -0.758 4.062 9.854 1.00 0.00 C ATOM 793 O SER A 56 -0.692 3.737 11.038 1.00 0.00 O ATOM 794 CB SER A 56 -3.141 4.413 9.142 1.00 0.00 C ATOM 795 OG SER A 56 -3.209 5.449 8.167 1.00 0.00 O ATOM 0 H SER A 56 -3.133 1.972 9.587 1.00 0.00 H new ATOM 0 HA SER A 56 -1.585 3.601 7.924 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.031 3.788 9.070 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.140 4.853 10.139 1.00 0.00 H new ATOM 0 HG SER A 56 -3.102 6.319 8.606 1.00 0.00 H new ATOM 801 N PRO A 57 0.130 4.880 9.228 1.00 0.00 N ATOM 802 CA PRO A 57 1.260 5.446 9.946 1.00 0.00 C ATOM 803 C PRO A 57 0.810 6.582 10.868 1.00 0.00 C ATOM 804 O PRO A 57 1.489 6.901 11.843 1.00 0.00 O ATOM 805 CB PRO A 57 2.223 5.906 8.864 1.00 0.00 C ATOM 806 CG PRO A 57 1.401 6.006 7.589 1.00 0.00 C ATOM 807 CD PRO A 57 0.083 5.287 7.827 1.00 0.00 C ATOM 0 HA PRO A 57 1.741 4.726 10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.666 6.868 9.119 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.044 5.199 8.745 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.225 7.050 7.329 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.936 5.555 6.753 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.766 5.942 7.633 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.023 4.425 7.168 1.00 0.00 H new ATOM 815 N LYS A 58 -0.333 7.160 10.528 1.00 0.00 N ATOM 816 CA LYS A 58 -0.881 8.253 11.312 1.00 0.00 C ATOM 817 C LYS A 58 -2.347 8.466 10.928 1.00 0.00 C ATOM 818 O LYS A 58 -2.877 7.757 10.074 1.00 0.00 O ATOM 819 CB LYS A 58 -0.018 9.507 11.162 1.00 0.00 C ATOM 820 CG LYS A 58 -0.078 10.046 9.731 1.00 0.00 C ATOM 821 CD LYS A 58 1.274 10.621 9.304 1.00 0.00 C ATOM 822 CE LYS A 58 1.162 11.346 7.961 1.00 0.00 C ATOM 823 NZ LYS A 58 2.425 11.226 7.201 1.00 0.00 N ATOM 0 H LYS A 58 -0.894 6.892 9.720 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.861 8.006 12.374 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.360 10.273 11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.014 9.276 11.424 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.369 9.247 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.844 10.818 9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.636 11.312 10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.007 9.818 9.228 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.340 10.925 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.929 12.398 8.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.332 11.723 6.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.201 11.648 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.631 10.222 7.026 1.00 0.00 H new ATOM 837 N ASP A 59 -2.959 9.445 11.578 1.00 0.00 N ATOM 838 CA ASP A 59 -4.353 9.760 11.315 1.00 0.00 C ATOM 839 C ASP A 59 -4.438 10.745 10.147 1.00 0.00 C ATOM 840 O ASP A 59 -3.633 11.670 10.051 1.00 0.00 O ATOM 841 CB ASP A 59 -5.010 10.413 12.532 1.00 0.00 C ATOM 842 CG ASP A 59 -4.115 11.382 13.307 1.00 0.00 C ATOM 843 OD1 ASP A 59 -3.255 12.009 12.651 1.00 0.00 O ATOM 844 OD2 ASP A 59 -4.311 11.475 14.538 1.00 0.00 O ATOM 0 H ASP A 59 -2.515 10.030 12.286 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.870 8.829 11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.900 10.949 12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.344 9.628 13.211 1.00 0.00 H new ATOM 849 N GLY A 60 -5.419 10.512 9.288 1.00 0.00 N ATOM 850 CA GLY A 60 -5.619 11.367 8.130 1.00 0.00 C ATOM 851 C GLY A 60 -6.735 10.826 7.235 1.00 0.00 C ATOM 852 O GLY A 60 -7.144 9.674 7.374 1.00 0.00 O ATOM 0 H GLY A 60 -6.084 9.743 9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.868 12.376 8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.692 11.436 7.560 1.00 0.00 H new ATOM 856 N THR A 61 -7.196 11.682 6.335 1.00 0.00 N ATOM 857 CA THR A 61 -8.257 11.304 5.417 1.00 0.00 C ATOM 858 C THR A 61 -7.669 10.876 4.070 1.00 0.00 C ATOM 859 O THR A 61 -7.177 11.708 3.311 1.00 0.00 O ATOM 860 CB THR A 61 -9.230 12.480 5.308 1.00 0.00 C ATOM 861 OG1 THR A 61 -9.806 12.575 6.608 1.00 0.00 O ATOM 862 CG2 THR A 61 -10.419 12.173 4.396 1.00 0.00 C ATOM 0 H THR A 61 -6.854 12.636 6.222 1.00 0.00 H new ATOM 0 HA THR A 61 -8.809 10.440 5.786 1.00 0.00 H new ATOM 0 HB THR A 61 -8.701 13.356 4.932 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.449 13.314 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.078 13.040 4.353 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.059 11.942 3.394 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.969 11.318 4.790 1.00 0.00 H new ATOM 870 N VAL A 62 -7.741 9.577 3.816 1.00 0.00 N ATOM 871 CA VAL A 62 -7.222 9.028 2.575 1.00 0.00 C ATOM 872 C VAL A 62 -7.658 9.917 1.408 1.00 0.00 C ATOM 873 O VAL A 62 -8.851 10.097 1.172 1.00 0.00 O ATOM 874 CB VAL A 62 -7.670 7.574 2.418 1.00 0.00 C ATOM 875 CG1 VAL A 62 -7.163 6.982 1.101 1.00 0.00 C ATOM 876 CG2 VAL A 62 -7.215 6.729 3.610 1.00 0.00 C ATOM 0 H VAL A 62 -8.151 8.890 4.448 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.132 9.019 2.588 1.00 0.00 H new ATOM 0 HB VAL A 62 -8.760 7.560 2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.496 5.948 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.558 7.561 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.074 7.015 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.546 5.700 3.474 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.128 6.754 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.647 7.131 4.527 1.00 0.00 H new ATOM 886 N LYS A 63 -6.666 10.449 0.708 1.00 0.00 N ATOM 887 CA LYS A 63 -6.932 11.314 -0.428 1.00 0.00 C ATOM 888 C LYS A 63 -7.431 10.468 -1.601 1.00 0.00 C ATOM 889 O LYS A 63 -8.515 10.711 -2.129 1.00 0.00 O ATOM 890 CB LYS A 63 -5.699 12.158 -0.759 1.00 0.00 C ATOM 891 CG LYS A 63 -5.767 12.690 -2.192 1.00 0.00 C ATOM 892 CD LYS A 63 -4.660 13.715 -2.449 1.00 0.00 C ATOM 893 CE LYS A 63 -4.874 14.428 -3.786 1.00 0.00 C ATOM 894 NZ LYS A 63 -5.140 15.867 -3.569 1.00 0.00 N ATOM 0 H LYS A 63 -5.677 10.297 0.906 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.722 12.026 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.627 12.992 -0.061 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.798 11.557 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.672 11.863 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.740 13.148 -2.368 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.642 14.447 -1.641 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.691 13.217 -2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.992 14.306 -4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.710 13.974 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.283 16.336 -4.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.994 15.978 -2.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.330 16.300 -3.081 1.00 0.00 H new ATOM 908 N LYS A 64 -6.616 9.493 -1.976 1.00 0.00 N ATOM 909 CA LYS A 64 -6.962 8.610 -3.077 1.00 0.00 C ATOM 910 C LYS A 64 -6.271 7.260 -2.879 1.00 0.00 C ATOM 911 O LYS A 64 -5.395 7.126 -2.025 1.00 0.00 O ATOM 912 CB LYS A 64 -6.640 9.275 -4.417 1.00 0.00 C ATOM 913 CG LYS A 64 -7.544 10.485 -4.660 1.00 0.00 C ATOM 914 CD LYS A 64 -7.316 11.068 -6.056 1.00 0.00 C ATOM 915 CE LYS A 64 -8.347 10.531 -7.050 1.00 0.00 C ATOM 916 NZ LYS A 64 -7.676 10.004 -8.259 1.00 0.00 N ATOM 0 H LYS A 64 -5.717 9.295 -1.537 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.035 8.420 -3.091 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.596 9.588 -4.430 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.767 8.554 -5.225 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.588 10.191 -4.551 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.347 11.248 -3.907 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.378 12.155 -6.014 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.312 10.819 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.936 9.743 -6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.040 11.325 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.390 9.643 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.133 10.765 -8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.032 9.232 -7.990 1.00 0.00 H new ATOM 930 N VAL A 65 -6.690 6.293 -3.681 1.00 0.00 N ATOM 931 CA VAL A 65 -6.123 4.957 -3.604 1.00 0.00 C ATOM 932 C VAL A 65 -5.557 4.569 -4.972 1.00 0.00 C ATOM 933 O VAL A 65 -6.206 4.773 -5.997 1.00 0.00 O ATOM 934 CB VAL A 65 -7.173 3.971 -3.090 1.00 0.00 C ATOM 935 CG1 VAL A 65 -6.519 2.672 -2.614 1.00 0.00 C ATOM 936 CG2 VAL A 65 -8.017 4.599 -1.979 1.00 0.00 C ATOM 0 H VAL A 65 -7.416 6.408 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.298 4.933 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.838 3.727 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -7.288 1.988 -2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.982 2.210 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.821 2.891 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.756 3.877 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.371 4.886 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.526 5.482 -2.364 1.00 0.00 H new ATOM 946 N PHE A 66 -4.353 4.016 -4.943 1.00 0.00 N ATOM 947 CA PHE A 66 -3.693 3.598 -6.168 1.00 0.00 C ATOM 948 C PHE A 66 -3.468 2.084 -6.180 1.00 0.00 C ATOM 949 O PHE A 66 -2.557 1.594 -6.845 1.00 0.00 O ATOM 950 CB PHE A 66 -2.336 4.303 -6.208 1.00 0.00 C ATOM 951 CG PHE A 66 -2.420 5.823 -6.054 1.00 0.00 C ATOM 952 CD1 PHE A 66 -3.064 6.567 -6.993 1.00 0.00 C ATOM 953 CD2 PHE A 66 -1.851 6.431 -4.979 1.00 0.00 C ATOM 954 CE1 PHE A 66 -3.142 7.978 -6.851 1.00 0.00 C ATOM 955 CE2 PHE A 66 -1.929 7.841 -4.836 1.00 0.00 C ATOM 956 CZ PHE A 66 -2.573 8.585 -5.775 1.00 0.00 C ATOM 0 H PHE A 66 -3.818 3.848 -4.091 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.310 3.854 -7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.706 3.902 -5.414 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.845 4.070 -7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.516 6.085 -7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.339 5.841 -4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.653 8.569 -7.597 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.477 8.323 -3.982 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.633 9.658 -5.666 1.00 0.00 H new ATOM 966 N TYR A 67 -4.313 1.387 -5.436 1.00 0.00 N ATOM 967 CA TYR A 67 -4.218 -0.061 -5.352 1.00 0.00 C ATOM 968 C TYR A 67 -5.549 -0.673 -4.910 1.00 0.00 C ATOM 969 O TYR A 67 -6.237 -0.119 -4.055 1.00 0.00 O ATOM 970 CB TYR A 67 -3.158 -0.353 -4.288 1.00 0.00 C ATOM 971 CG TYR A 67 -1.720 -0.144 -4.769 1.00 0.00 C ATOM 972 CD1 TYR A 67 -1.168 1.121 -4.763 1.00 0.00 C ATOM 973 CD2 TYR A 67 -0.976 -1.220 -5.207 1.00 0.00 C ATOM 974 CE1 TYR A 67 0.185 1.318 -5.214 1.00 0.00 C ATOM 975 CE2 TYR A 67 0.377 -1.023 -5.659 1.00 0.00 C ATOM 976 CZ TYR A 67 0.891 0.236 -5.641 1.00 0.00 C ATOM 977 OH TYR A 67 2.168 0.422 -6.067 1.00 0.00 O ATOM 0 H TYR A 67 -5.067 1.798 -4.885 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.964 -0.486 -6.323 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.338 0.288 -3.425 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.271 -1.383 -3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.751 1.963 -4.420 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.408 -2.210 -5.211 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.630 2.302 -5.213 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.970 -1.857 -6.005 1.00 0.00 H new ATOM 0 HH TYR A 67 2.550 -0.438 -6.341 1.00 0.00 H new ATOM 987 N ARG A 68 -5.871 -1.807 -5.514 1.00 0.00 N ATOM 988 CA ARG A 68 -7.107 -2.501 -5.194 1.00 0.00 C ATOM 989 C ARG A 68 -6.830 -3.980 -4.918 1.00 0.00 C ATOM 990 O ARG A 68 -5.675 -4.401 -4.878 1.00 0.00 O ATOM 991 CB ARG A 68 -8.117 -2.384 -6.338 1.00 0.00 C ATOM 992 CG ARG A 68 -8.375 -0.918 -6.693 1.00 0.00 C ATOM 993 CD ARG A 68 -9.866 -0.666 -6.930 1.00 0.00 C ATOM 994 NE ARG A 68 -10.101 -0.325 -8.351 1.00 0.00 N ATOM 995 CZ ARG A 68 -10.201 -1.230 -9.335 1.00 0.00 C ATOM 996 NH1 ARG A 68 -10.086 -2.536 -9.058 1.00 0.00 N ATOM 997 NH2 ARG A 68 -10.415 -0.828 -10.595 1.00 0.00 N ATOM 0 H ARG A 68 -5.297 -2.263 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.528 -2.034 -4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.743 -2.914 -7.214 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -9.053 -2.863 -6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.018 -0.277 -5.887 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.811 -0.652 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -10.441 -1.552 -6.660 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -10.212 0.146 -6.290 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.193 0.661 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.922 -2.841 -8.099 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.162 -3.225 -9.807 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.502 0.166 -10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.491 -1.516 -11.344 1.00 0.00 H new ATOM 1011 N GLU A 69 -7.908 -4.727 -4.733 1.00 0.00 N ATOM 1012 CA GLU A 69 -7.795 -6.150 -4.462 1.00 0.00 C ATOM 1013 C GLU A 69 -7.076 -6.855 -5.613 1.00 0.00 C ATOM 1014 O GLU A 69 -7.477 -6.730 -6.769 1.00 0.00 O ATOM 1015 CB GLU A 69 -9.171 -6.771 -4.212 1.00 0.00 C ATOM 1016 CG GLU A 69 -9.921 -6.019 -3.111 1.00 0.00 C ATOM 1017 CD GLU A 69 -11.432 -6.064 -3.347 1.00 0.00 C ATOM 1018 OE1 GLU A 69 -11.976 -7.189 -3.328 1.00 0.00 O ATOM 1019 OE2 GLU A 69 -12.009 -4.972 -3.542 1.00 0.00 O ATOM 0 H GLU A 69 -8.864 -4.374 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.203 -6.281 -3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.755 -6.752 -5.132 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.056 -7.817 -3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.688 -6.459 -2.141 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.585 -4.983 -3.080 1.00 0.00 H new ATOM 1026 N GLY A 70 -6.026 -7.580 -5.257 1.00 0.00 N ATOM 1027 CA GLY A 70 -5.247 -8.305 -6.247 1.00 0.00 C ATOM 1028 C GLY A 70 -4.376 -7.351 -7.066 1.00 0.00 C ATOM 1029 O GLY A 70 -4.263 -7.497 -8.282 1.00 0.00 O ATOM 0 H GLY A 70 -5.696 -7.681 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.617 -9.042 -5.750 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -5.916 -8.853 -6.911 1.00 0.00 H new ATOM 1033 N ALA A 71 -3.784 -6.394 -6.367 1.00 0.00 N ATOM 1034 CA ALA A 71 -2.927 -5.415 -7.014 1.00 0.00 C ATOM 1035 C ALA A 71 -1.466 -5.720 -6.676 1.00 0.00 C ATOM 1036 O ALA A 71 -1.145 -6.053 -5.536 1.00 0.00 O ATOM 1037 CB ALA A 71 -3.343 -4.007 -6.583 1.00 0.00 C ATOM 0 H ALA A 71 -3.881 -6.276 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.033 -5.469 -8.097 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.700 -3.273 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.379 -3.829 -6.872 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.247 -3.914 -5.501 1.00 0.00 H new ATOM 1043 N GLN A 72 -0.619 -5.596 -7.687 1.00 0.00 N ATOM 1044 CA GLN A 72 0.800 -5.854 -7.511 1.00 0.00 C ATOM 1045 C GLN A 72 1.515 -4.586 -7.040 1.00 0.00 C ATOM 1046 O GLN A 72 1.483 -3.561 -7.720 1.00 0.00 O ATOM 1047 CB GLN A 72 1.424 -6.388 -8.802 1.00 0.00 C ATOM 1048 CG GLN A 72 2.948 -6.261 -8.768 1.00 0.00 C ATOM 1049 CD GLN A 72 3.612 -7.409 -9.530 1.00 0.00 C ATOM 1050 OE1 GLN A 72 3.703 -7.411 -10.746 1.00 0.00 O ATOM 1051 NE2 GLN A 72 4.068 -8.384 -8.748 1.00 0.00 N ATOM 0 H GLN A 72 -0.888 -5.320 -8.631 1.00 0.00 H new ATOM 0 HA GLN A 72 0.918 -6.620 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.146 -7.433 -8.940 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.029 -5.838 -9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.247 -5.309 -9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.293 -6.259 -7.734 1.00 0.00 H new ATOM 0 HE21 GLN A 72 3.959 -8.319 -7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 72 4.527 -9.196 -9.161 1.00 0.00 H new ATOM 1060 N ALA A 73 2.145 -4.697 -5.880 1.00 0.00 N ATOM 1061 CA ALA A 73 2.868 -3.572 -5.310 1.00 0.00 C ATOM 1062 C ALA A 73 4.346 -3.941 -5.166 1.00 0.00 C ATOM 1063 O ALA A 73 4.703 -5.117 -5.213 1.00 0.00 O ATOM 1064 CB ALA A 73 2.232 -3.181 -3.975 1.00 0.00 C ATOM 0 H ALA A 73 2.170 -5.548 -5.319 1.00 0.00 H new ATOM 0 HA ALA A 73 2.808 -2.704 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.774 -2.337 -3.547 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.191 -2.900 -4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 73 2.277 -4.027 -3.289 1.00 0.00 H new ATOM 1070 N ASN A 74 5.165 -2.914 -4.995 1.00 0.00 N ATOM 1071 CA ASN A 74 6.596 -3.116 -4.844 1.00 0.00 C ATOM 1072 C ASN A 74 7.037 -2.602 -3.472 1.00 0.00 C ATOM 1073 O ASN A 74 6.278 -1.918 -2.787 1.00 0.00 O ATOM 1074 CB ASN A 74 7.376 -2.345 -5.911 1.00 0.00 C ATOM 1075 CG ASN A 74 8.207 -3.295 -6.776 1.00 0.00 C ATOM 1076 OD1 ASN A 74 9.363 -3.574 -6.503 1.00 0.00 O ATOM 1077 ND2 ASN A 74 7.556 -3.775 -7.831 1.00 0.00 N ATOM 0 H ASN A 74 4.865 -1.940 -4.958 1.00 0.00 H new ATOM 0 HA ASN A 74 6.799 -4.182 -4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.683 -1.786 -6.540 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.031 -1.616 -5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.024 -4.418 -8.470 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.589 -3.501 -8.002 1.00 0.00 H new ATOM 1084 N ARG A 75 8.264 -2.950 -3.111 1.00 0.00 N ATOM 1085 CA ARG A 75 8.815 -2.532 -1.834 1.00 0.00 C ATOM 1086 C ARG A 75 9.098 -1.029 -1.844 1.00 0.00 C ATOM 1087 O ARG A 75 9.883 -0.547 -2.659 1.00 0.00 O ATOM 1088 CB ARG A 75 10.109 -3.286 -1.520 1.00 0.00 C ATOM 1089 CG ARG A 75 10.313 -3.419 -0.009 1.00 0.00 C ATOM 1090 CD ARG A 75 10.884 -4.793 0.348 1.00 0.00 C ATOM 1091 NE ARG A 75 12.363 -4.741 0.355 1.00 0.00 N ATOM 1092 CZ ARG A 75 13.153 -5.818 0.254 1.00 0.00 C ATOM 1093 NH1 ARG A 75 12.611 -7.038 0.137 1.00 0.00 N ATOM 1094 NH2 ARG A 75 14.485 -5.676 0.269 1.00 0.00 N ATOM 0 H ARG A 75 8.892 -3.517 -3.681 1.00 0.00 H new ATOM 0 HA ARG A 75 8.078 -2.761 -1.064 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.077 -4.276 -1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 75 10.956 -2.760 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.989 -2.638 0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.363 -3.271 0.504 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.518 -5.105 1.326 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.542 -5.536 -0.372 1.00 0.00 H new ATOM 0 HE ARG A 75 12.809 -3.828 0.442 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.597 -7.146 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.213 -7.858 0.060 1.00 0.00 H new ATOM 0 HH21 ARG A 75 14.898 -4.748 0.357 1.00 0.00 H new ATOM 0 HH22 ARG A 75 15.086 -6.496 0.192 1.00 0.00 H new ATOM 1108 N HIS A 76 8.443 -0.330 -0.928 1.00 0.00 N ATOM 1109 CA HIS A 76 8.615 1.109 -0.822 1.00 0.00 C ATOM 1110 C HIS A 76 7.747 1.809 -1.870 1.00 0.00 C ATOM 1111 O HIS A 76 8.236 2.644 -2.629 1.00 0.00 O ATOM 1112 CB HIS A 76 10.093 1.490 -0.926 1.00 0.00 C ATOM 1113 CG HIS A 76 10.584 2.361 0.206 1.00 0.00 C ATOM 1114 ND1 HIS A 76 11.005 3.666 0.019 1.00 0.00 N ATOM 1115 CD2 HIS A 76 10.716 2.101 1.538 1.00 0.00 C ATOM 1116 CE1 HIS A 76 11.372 4.159 1.192 1.00 0.00 C ATOM 1117 NE2 HIS A 76 11.193 3.187 2.132 1.00 0.00 N ATOM 0 H HIS A 76 7.793 -0.733 -0.253 1.00 0.00 H new ATOM 0 HA HIS A 76 8.282 1.446 0.159 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.691 0.579 -0.956 1.00 0.00 H new ATOM 0 HB3 HIS A 76 10.258 2.011 -1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 76 10.473 1.169 2.027 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.747 5.156 1.373 1.00 0.00 H new ATOM 0 HE2 HIS A 76 11.393 3.280 3.128 1.00 0.00 H new ATOM 1125 N THR A 77 6.474 1.442 -1.879 1.00 0.00 N ATOM 1126 CA THR A 77 5.534 2.023 -2.821 1.00 0.00 C ATOM 1127 C THR A 77 4.325 2.600 -2.082 1.00 0.00 C ATOM 1128 O THR A 77 3.892 2.052 -1.069 1.00 0.00 O ATOM 1129 CB THR A 77 5.163 0.948 -3.844 1.00 0.00 C ATOM 1130 OG1 THR A 77 4.691 -0.138 -3.051 1.00 0.00 O ATOM 1131 CG2 THR A 77 6.388 0.378 -4.564 1.00 0.00 C ATOM 0 H THR A 77 6.072 0.749 -1.248 1.00 0.00 H new ATOM 0 HA THR A 77 5.979 2.862 -3.356 1.00 0.00 H new ATOM 0 HB THR A 77 4.473 1.367 -4.576 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.245 -0.929 -3.216 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.070 -0.381 -5.279 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.905 1.179 -5.092 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.062 -0.071 -3.835 1.00 0.00 H new ATOM 1139 N PRO A 78 3.800 3.729 -2.630 1.00 0.00 N ATOM 1140 CA PRO A 78 2.650 4.386 -2.034 1.00 0.00 C ATOM 1141 C PRO A 78 1.364 3.608 -2.320 1.00 0.00 C ATOM 1142 O PRO A 78 0.883 3.592 -3.452 1.00 0.00 O ATOM 1143 CB PRO A 78 2.643 5.784 -2.629 1.00 0.00 C ATOM 1144 CG PRO A 78 3.506 5.709 -3.879 1.00 0.00 C ATOM 1145 CD PRO A 78 4.287 4.406 -3.828 1.00 0.00 C ATOM 0 HA PRO A 78 2.709 4.431 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.629 6.100 -2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 78 3.042 6.511 -1.922 1.00 0.00 H new ATOM 0 HG2 PRO A 78 2.885 5.747 -4.774 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.186 6.560 -3.925 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.113 3.805 -4.721 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.360 4.589 -3.771 1.00 0.00 H new ATOM 1153 N LEU A 79 0.844 2.981 -1.275 1.00 0.00 N ATOM 1154 CA LEU A 79 -0.376 2.203 -1.400 1.00 0.00 C ATOM 1155 C LEU A 79 -1.579 3.148 -1.413 1.00 0.00 C ATOM 1156 O LEU A 79 -2.484 2.995 -2.232 1.00 0.00 O ATOM 1157 CB LEU A 79 -0.445 1.135 -0.307 1.00 0.00 C ATOM 1158 CG LEU A 79 0.641 0.059 -0.351 1.00 0.00 C ATOM 1159 CD1 LEU A 79 0.601 -0.813 0.906 1.00 0.00 C ATOM 1160 CD2 LEU A 79 0.536 -0.775 -1.630 1.00 0.00 C ATOM 0 H LEU A 79 1.246 2.996 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.386 1.660 -2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.397 1.632 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.417 0.645 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 79 1.612 0.555 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.383 -1.570 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.762 -0.190 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.371 -1.301 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.320 -1.533 -1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.439 -1.261 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.652 -0.126 -2.498 1.00 0.00 H new ATOM 1172 N VAL A 80 -1.551 4.104 -0.496 1.00 0.00 N ATOM 1173 CA VAL A 80 -2.628 5.074 -0.392 1.00 0.00 C ATOM 1174 C VAL A 80 -2.035 6.464 -0.156 1.00 0.00 C ATOM 1175 O VAL A 80 -0.849 6.595 0.143 1.00 0.00 O ATOM 1176 CB VAL A 80 -3.610 4.649 0.701 1.00 0.00 C ATOM 1177 CG1 VAL A 80 -4.497 3.497 0.224 1.00 0.00 C ATOM 1178 CG2 VAL A 80 -2.871 4.276 1.988 1.00 0.00 C ATOM 0 H VAL A 80 -0.799 4.228 0.182 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.196 5.117 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.255 5.500 0.920 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.186 3.214 1.020 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.064 3.813 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.874 2.642 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.593 3.978 2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.190 3.448 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.303 5.136 2.344 1.00 0.00 H new ATOM 1188 N GLU A 81 -2.888 7.468 -0.300 1.00 0.00 N ATOM 1189 CA GLU A 81 -2.463 8.844 -0.106 1.00 0.00 C ATOM 1190 C GLU A 81 -3.332 9.523 0.955 1.00 0.00 C ATOM 1191 O GLU A 81 -4.470 9.117 1.183 1.00 0.00 O ATOM 1192 CB GLU A 81 -2.501 9.620 -1.424 1.00 0.00 C ATOM 1193 CG GLU A 81 -1.338 10.610 -1.511 1.00 0.00 C ATOM 1194 CD GLU A 81 -0.662 10.543 -2.882 1.00 0.00 C ATOM 1195 OE1 GLU A 81 -1.293 11.018 -3.850 1.00 0.00 O ATOM 1196 OE2 GLU A 81 0.472 10.017 -2.931 1.00 0.00 O ATOM 0 H GLU A 81 -3.871 7.356 -0.549 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.431 8.839 0.246 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.454 8.924 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.446 10.156 -1.508 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.702 11.621 -1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.609 10.390 -0.731 1.00 0.00 H new ATOM 1203 N PHE A 82 -2.761 10.545 1.576 1.00 0.00 N ATOM 1204 CA PHE A 82 -3.469 11.284 2.607 1.00 0.00 C ATOM 1205 C PHE A 82 -3.776 12.710 2.147 1.00 0.00 C ATOM 1206 O PHE A 82 -3.051 13.272 1.327 1.00 0.00 O ATOM 1207 CB PHE A 82 -2.547 11.342 3.827 1.00 0.00 C ATOM 1208 CG PHE A 82 -2.480 10.035 4.619 1.00 0.00 C ATOM 1209 CD1 PHE A 82 -3.588 9.565 5.252 1.00 0.00 C ATOM 1210 CD2 PHE A 82 -1.311 9.343 4.691 1.00 0.00 C ATOM 1211 CE1 PHE A 82 -3.526 8.351 5.986 1.00 0.00 C ATOM 1212 CE2 PHE A 82 -1.248 8.129 5.426 1.00 0.00 C ATOM 1213 CZ PHE A 82 -2.357 7.659 6.058 1.00 0.00 C ATOM 0 H PHE A 82 -1.816 10.878 1.385 1.00 0.00 H new ATOM 0 HA PHE A 82 -4.415 10.793 2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.542 11.607 3.498 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -2.887 12.139 4.489 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.516 10.115 5.196 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.431 9.717 4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.407 7.977 6.487 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.320 7.579 5.483 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.309 6.736 6.617 1.00 0.00 H new ATOM 1223 N GLU A 83 -4.853 13.255 2.694 1.00 0.00 N ATOM 1224 CA GLU A 83 -5.266 14.605 2.349 1.00 0.00 C ATOM 1225 C GLU A 83 -4.372 15.629 3.052 1.00 0.00 C ATOM 1226 O GLU A 83 -3.603 15.277 3.945 1.00 0.00 O ATOM 1227 CB GLU A 83 -6.738 14.834 2.695 1.00 0.00 C ATOM 1228 CG GLU A 83 -7.653 14.152 1.676 1.00 0.00 C ATOM 1229 CD GLU A 83 -7.831 15.022 0.430 1.00 0.00 C ATOM 1230 OE1 GLU A 83 -6.801 15.295 -0.223 1.00 0.00 O ATOM 1231 OE2 GLU A 83 -8.993 15.396 0.160 1.00 0.00 O ATOM 0 H GLU A 83 -5.452 12.786 3.374 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.156 14.733 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.945 14.446 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.948 15.903 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.233 13.187 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.625 13.956 2.129 1.00 0.00 H new ATOM 1238 N GLU A 84 -4.503 16.875 2.622 1.00 0.00 N ATOM 1239 CA GLU A 84 -3.717 17.952 3.199 1.00 0.00 C ATOM 1240 C GLU A 84 -4.397 18.490 4.460 1.00 0.00 C ATOM 1241 O GLU A 84 -4.934 19.597 4.457 1.00 0.00 O ATOM 1242 CB GLU A 84 -3.489 19.071 2.181 1.00 0.00 C ATOM 1243 CG GLU A 84 -2.008 19.184 1.814 1.00 0.00 C ATOM 1244 CD GLU A 84 -1.771 20.339 0.838 1.00 0.00 C ATOM 1245 OE1 GLU A 84 -2.555 20.433 -0.131 1.00 0.00 O ATOM 1246 OE2 GLU A 84 -0.812 21.102 1.084 1.00 0.00 O ATOM 0 H GLU A 84 -5.142 17.163 1.881 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.741 17.553 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.076 18.876 1.283 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.839 20.018 2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.417 19.339 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.668 18.250 1.367 1.00 0.00 H new ATOM 1253 N GLU A 85 -4.353 17.680 5.508 1.00 0.00 N ATOM 1254 CA GLU A 85 -4.959 18.060 6.773 1.00 0.00 C ATOM 1255 C GLU A 85 -4.128 19.150 7.453 1.00 0.00 C ATOM 1256 O GLU A 85 -3.088 19.557 6.936 1.00 0.00 O ATOM 1257 CB GLU A 85 -5.125 16.846 7.689 1.00 0.00 C ATOM 1258 CG GLU A 85 -3.777 16.402 8.260 1.00 0.00 C ATOM 1259 CD GLU A 85 -3.422 14.989 7.793 1.00 0.00 C ATOM 1260 OE1 GLU A 85 -3.013 14.866 6.618 1.00 0.00 O ATOM 1261 OE2 GLU A 85 -3.567 14.064 8.621 1.00 0.00 O ATOM 0 H GLU A 85 -3.907 16.763 5.507 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.953 18.460 6.571 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.806 17.091 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.576 16.025 7.132 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.999 17.098 7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.812 16.431 9.349 1.00 0.00 H new ATOM 1268 N GLU A 86 -4.617 19.592 8.603 1.00 0.00 N ATOM 1269 CA GLU A 86 -3.932 20.627 9.359 1.00 0.00 C ATOM 1270 C GLU A 86 -2.529 20.157 9.751 1.00 0.00 C ATOM 1271 O GLU A 86 -1.537 20.614 9.186 1.00 0.00 O ATOM 1272 CB GLU A 86 -4.740 21.029 10.594 1.00 0.00 C ATOM 1273 CG GLU A 86 -5.126 22.509 10.539 1.00 0.00 C ATOM 1274 CD GLU A 86 -6.554 22.723 11.044 1.00 0.00 C ATOM 1275 OE1 GLU A 86 -7.483 22.338 10.301 1.00 0.00 O ATOM 1276 OE2 GLU A 86 -6.685 23.266 12.162 1.00 0.00 O ATOM 0 H GLU A 86 -5.479 19.252 9.029 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.835 21.509 8.726 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -5.640 20.417 10.659 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -4.156 20.835 11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -4.432 23.092 11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.040 22.873 9.515 1.00 0.00 H new ATOM 1283 N SER A 87 -2.492 19.250 10.716 1.00 0.00 N ATOM 1284 CA SER A 87 -1.227 18.714 11.190 1.00 0.00 C ATOM 1285 C SER A 87 -0.614 19.658 12.226 1.00 0.00 C ATOM 1286 O SER A 87 -0.946 20.842 12.266 1.00 0.00 O ATOM 1287 CB SER A 87 -0.254 18.492 10.031 1.00 0.00 C ATOM 1288 OG SER A 87 0.574 17.351 10.240 1.00 0.00 O ATOM 0 H SER A 87 -3.317 18.873 11.182 1.00 0.00 H new ATOM 0 HA SER A 87 -1.418 17.748 11.657 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.815 18.368 9.105 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.371 19.376 9.908 1.00 0.00 H new ATOM 0 HG SER A 87 1.180 17.242 9.477 1.00 0.00 H new ATOM 1294 N ASP A 88 0.271 19.100 13.038 1.00 0.00 N ATOM 1295 CA ASP A 88 0.935 19.877 14.071 1.00 0.00 C ATOM 1296 C ASP A 88 -0.115 20.448 15.027 1.00 0.00 C ATOM 1297 O ASP A 88 -0.569 21.578 14.853 1.00 0.00 O ATOM 1298 CB ASP A 88 1.709 21.050 13.465 1.00 0.00 C ATOM 1299 CG ASP A 88 3.232 20.921 13.532 1.00 0.00 C ATOM 1300 OD1 ASP A 88 3.720 19.802 13.265 1.00 0.00 O ATOM 1301 OD2 ASP A 88 3.875 21.946 13.847 1.00 0.00 O ATOM 0 H ASP A 88 0.544 18.118 13.002 1.00 0.00 H new ATOM 0 HA ASP A 88 1.628 19.219 14.595 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.414 21.160 12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.414 21.965 13.978 1.00 0.00 H new ATOM 1306 N LYS A 89 -0.470 19.640 16.015 1.00 0.00 N ATOM 1307 CA LYS A 89 -1.457 20.050 16.999 1.00 0.00 C ATOM 1308 C LYS A 89 -0.763 20.297 18.340 1.00 0.00 C ATOM 1309 O LYS A 89 -0.496 19.357 19.087 1.00 0.00 O ATOM 1310 CB LYS A 89 -2.595 19.029 17.074 1.00 0.00 C ATOM 1311 CG LYS A 89 -3.955 19.727 17.116 1.00 0.00 C ATOM 1312 CD LYS A 89 -5.031 18.798 17.683 1.00 0.00 C ATOM 1313 CE LYS A 89 -6.379 19.515 17.781 1.00 0.00 C ATOM 1314 NZ LYS A 89 -7.152 19.339 16.532 1.00 0.00 N ATOM 0 H LYS A 89 -0.092 18.703 16.155 1.00 0.00 H new ATOM 0 HA LYS A 89 -1.922 20.990 16.703 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -2.550 18.364 16.211 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -2.473 18.408 17.961 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.887 20.627 17.728 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -4.236 20.045 16.112 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -5.129 17.918 17.047 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -4.730 18.446 18.670 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -6.946 19.122 18.625 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.220 20.577 17.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.064 19.832 16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.616 19.735 15.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.320 18.326 16.368 1.00 0.00 H new ATOM 1328 N ARG A 90 -0.491 21.566 18.605 1.00 0.00 N ATOM 1329 CA ARG A 90 0.167 21.948 19.843 1.00 0.00 C ATOM 1330 C ARG A 90 -0.691 21.550 21.045 1.00 0.00 C ATOM 1331 O ARG A 90 -1.702 22.190 21.330 1.00 0.00 O ATOM 1332 CB ARG A 90 0.425 23.456 19.887 1.00 0.00 C ATOM 1333 CG ARG A 90 1.924 23.757 19.834 1.00 0.00 C ATOM 1334 CD ARG A 90 2.530 23.771 21.239 1.00 0.00 C ATOM 1335 NE ARG A 90 3.419 24.944 21.396 1.00 0.00 N ATOM 1336 CZ ARG A 90 3.009 26.216 21.294 1.00 0.00 C ATOM 1337 NH1 ARG A 90 1.723 26.486 21.036 1.00 0.00 N ATOM 1338 NH2 ARG A 90 3.886 27.217 21.451 1.00 0.00 N ATOM 0 H ARG A 90 -0.714 22.343 17.983 1.00 0.00 H new ATOM 0 HA ARG A 90 1.123 21.425 19.885 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.077 23.939 19.048 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.002 23.875 20.798 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.428 23.007 19.224 1.00 0.00 H new ATOM 0 HG3 ARG A 90 2.088 24.722 19.354 1.00 0.00 H new ATOM 0 HD2 ARG A 90 1.737 23.803 21.986 1.00 0.00 H new ATOM 0 HD3 ARG A 90 3.092 22.853 21.411 1.00 0.00 H new ATOM 0 HE ARG A 90 4.405 24.774 21.594 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.056 25.724 20.917 1.00 0.00 H new ATOM 0 HH12 ARG A 90 1.411 27.454 20.958 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.865 27.011 21.648 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.574 28.185 21.373 1.00 0.00 H new ATOM 1352 N GLU A 91 -0.257 20.494 21.718 1.00 0.00 N ATOM 1353 CA GLU A 91 -0.973 20.003 22.883 1.00 0.00 C ATOM 1354 C GLU A 91 -0.007 19.310 23.846 1.00 0.00 C ATOM 1355 O GLU A 91 0.088 19.686 25.013 1.00 0.00 O ATOM 1356 CB GLU A 91 -2.107 19.061 22.472 1.00 0.00 C ATOM 1357 CG GLU A 91 -2.911 18.608 23.692 1.00 0.00 C ATOM 1358 CD GLU A 91 -3.139 17.095 23.667 1.00 0.00 C ATOM 1359 OE1 GLU A 91 -2.124 16.368 23.714 1.00 0.00 O ATOM 1360 OE2 GLU A 91 -4.324 16.701 23.603 1.00 0.00 O ATOM 0 H GLU A 91 0.582 19.965 21.479 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.420 20.854 23.397 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -2.765 19.565 21.765 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.695 18.191 21.960 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.382 18.885 24.604 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -3.871 19.124 23.711 1.00 0.00 H new ATOM 1367 N SER A 92 0.687 18.310 23.321 1.00 0.00 N ATOM 1368 CA SER A 92 1.642 17.562 24.120 1.00 0.00 C ATOM 1369 C SER A 92 2.583 18.524 24.849 1.00 0.00 C ATOM 1370 O SER A 92 2.619 18.551 26.078 1.00 0.00 O ATOM 1371 CB SER A 92 2.444 16.590 23.253 1.00 0.00 C ATOM 1372 OG SER A 92 3.084 15.582 24.031 1.00 0.00 O ATOM 0 H SER A 92 0.607 18.001 22.352 1.00 0.00 H new ATOM 0 HA SER A 92 1.089 16.978 24.856 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.781 16.120 22.527 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.195 17.143 22.688 1.00 0.00 H new ATOM 0 HG SER A 92 3.584 14.981 23.440 1.00 0.00 H new ATOM 1378 N GLU A 93 3.321 19.290 24.059 1.00 0.00 N ATOM 1379 CA GLU A 93 4.260 20.251 24.613 1.00 0.00 C ATOM 1380 C GLU A 93 5.352 19.530 25.406 1.00 0.00 C ATOM 1381 O GLU A 93 5.063 18.850 26.390 1.00 0.00 O ATOM 1382 CB GLU A 93 3.539 21.281 25.485 1.00 0.00 C ATOM 1383 CG GLU A 93 3.665 22.685 24.891 1.00 0.00 C ATOM 1384 CD GLU A 93 4.698 23.514 25.657 1.00 0.00 C ATOM 1385 OE1 GLU A 93 4.537 23.620 26.892 1.00 0.00 O ATOM 1386 OE2 GLU A 93 5.624 24.023 24.991 1.00 0.00 O ATOM 0 H GLU A 93 3.288 19.265 23.040 1.00 0.00 H new ATOM 0 HA GLU A 93 4.731 20.787 23.789 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.486 21.013 25.575 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.958 21.269 26.491 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.955 22.615 23.842 1.00 0.00 H new ATOM 0 HG3 GLU A 93 2.697 23.185 24.922 1.00 0.00 H new ATOM 1393 N SER A 94 6.583 19.703 24.948 1.00 0.00 N ATOM 1394 CA SER A 94 7.719 19.077 25.602 1.00 0.00 C ATOM 1395 C SER A 94 8.239 19.978 26.723 1.00 0.00 C ATOM 1396 O SER A 94 8.114 21.200 26.651 1.00 0.00 O ATOM 1397 CB SER A 94 8.836 18.779 24.600 1.00 0.00 C ATOM 1398 OG SER A 94 9.691 17.731 25.050 1.00 0.00 O ATOM 0 H SER A 94 6.818 20.268 24.132 1.00 0.00 H new ATOM 0 HA SER A 94 7.388 18.130 26.029 1.00 0.00 H new ATOM 0 HB2 SER A 94 8.398 18.503 23.641 1.00 0.00 H new ATOM 0 HB3 SER A 94 9.425 19.681 24.434 1.00 0.00 H new ATOM 0 HG SER A 94 10.390 17.569 24.382 1.00 0.00 H new ATOM 1404 N GLY A 95 8.812 19.341 27.734 1.00 0.00 N ATOM 1405 CA GLY A 95 9.352 20.071 28.869 1.00 0.00 C ATOM 1406 C GLY A 95 10.346 19.210 29.652 1.00 0.00 C ATOM 1407 O GLY A 95 9.948 18.404 30.492 1.00 0.00 O ATOM 0 H GLY A 95 8.914 18.328 27.791 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.846 20.978 28.521 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.540 20.383 29.525 1.00 0.00 H new ATOM 1411 N PRO A 96 11.654 19.415 29.339 1.00 0.00 N ATOM 1412 CA PRO A 96 12.708 18.667 30.004 1.00 0.00 C ATOM 1413 C PRO A 96 12.931 19.181 31.427 1.00 0.00 C ATOM 1414 O PRO A 96 12.408 20.229 31.802 1.00 0.00 O ATOM 1415 CB PRO A 96 13.928 18.833 29.114 1.00 0.00 C ATOM 1416 CG PRO A 96 13.643 20.041 28.236 1.00 0.00 C ATOM 1417 CD PRO A 96 12.162 20.360 28.350 1.00 0.00 C ATOM 0 HA PRO A 96 12.462 17.612 30.128 1.00 0.00 H new ATOM 0 HB2 PRO A 96 14.828 18.987 29.710 1.00 0.00 H new ATOM 0 HB3 PRO A 96 14.095 17.941 28.509 1.00 0.00 H new ATOM 0 HG2 PRO A 96 14.243 20.894 28.554 1.00 0.00 H new ATOM 0 HG3 PRO A 96 13.910 19.832 27.200 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.002 21.390 28.668 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.656 20.240 27.392 1.00 0.00 H new ATOM 1425 N SER A 97 13.709 18.419 32.182 1.00 0.00 N ATOM 1426 CA SER A 97 14.008 18.784 33.556 1.00 0.00 C ATOM 1427 C SER A 97 15.505 18.621 33.827 1.00 0.00 C ATOM 1428 O SER A 97 16.207 17.952 33.070 1.00 0.00 O ATOM 1429 CB SER A 97 13.195 17.940 34.540 1.00 0.00 C ATOM 1430 OG SER A 97 13.258 18.458 35.866 1.00 0.00 O ATOM 0 H SER A 97 14.141 17.550 31.868 1.00 0.00 H new ATOM 0 HA SER A 97 13.731 19.828 33.700 1.00 0.00 H new ATOM 0 HB2 SER A 97 12.156 17.904 34.214 1.00 0.00 H new ATOM 0 HB3 SER A 97 13.567 16.916 34.533 1.00 0.00 H new ATOM 0 HG SER A 97 12.725 17.893 36.464 1.00 0.00 H new ATOM 1436 N SER A 98 15.949 19.243 34.910 1.00 0.00 N ATOM 1437 CA SER A 98 17.350 19.174 35.290 1.00 0.00 C ATOM 1438 C SER A 98 18.221 19.789 34.193 1.00 0.00 C ATOM 1439 O SER A 98 17.829 19.817 33.027 1.00 0.00 O ATOM 1440 CB SER A 98 17.777 17.730 35.560 1.00 0.00 C ATOM 1441 OG SER A 98 19.194 17.595 35.618 1.00 0.00 O ATOM 0 H SER A 98 15.364 19.797 35.536 1.00 0.00 H new ATOM 0 HA SER A 98 17.483 19.742 36.211 1.00 0.00 H new ATOM 0 HB2 SER A 98 17.342 17.393 36.501 1.00 0.00 H new ATOM 0 HB3 SER A 98 17.383 17.083 34.777 1.00 0.00 H new ATOM 0 HG SER A 98 19.427 16.659 35.794 1.00 0.00 H new ATOM 1447 N GLY A 99 19.386 20.266 34.604 1.00 0.00 N ATOM 1448 CA GLY A 99 20.316 20.879 33.670 1.00 0.00 C ATOM 1449 C GLY A 99 20.542 19.980 32.453 1.00 0.00 C ATOM 1450 O GLY A 99 21.677 19.616 32.148 1.00 0.00 O ATOM 0 H GLY A 99 19.708 20.241 35.572 1.00 0.00 H new ATOM 0 HA2 GLY A 99 19.928 21.845 33.346 1.00 0.00 H new ATOM 0 HA3 GLY A 99 21.267 21.068 34.169 1.00 0.00 H new TER 1454 GLY A 99