USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 665 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 65 SER OG : rot -92:sc= 0.143! USER MOD Set 1.2: A 78 LYS NZ :NH3+ -147:sc= -1.45! (180deg=-3.35!) USER MOD Set 2.1: A 50 ASN : amide:sc= -0.0977! C(o=-1.3!,f=-12!) USER MOD Set 2.2: A 58 THR OG1 : rot -120:sc= -1.23 USER MOD Set 3.1: A 27 ASN : amide:sc= 1.46 K(o=4,f=-4.5) USER MOD Set 3.2: A 76 LYS NZ :NH3+ -168:sc= 2.51 (180deg=1.12) USER MOD Set 4.1: A 11 THR OG1 : rot -140:sc= -0.0457 USER MOD Set 4.2: A 17 CYS SG : rot 171:sc= -5.28! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 1.29 (180deg=1.16) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.107 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 30:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.648 USER MOD Single : A 14 CYS SG : rot 100:sc= -0.959 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0.939 (180deg=0.865) USER MOD Single : A 22 THR OG1 : rot 74:sc= 0.41 USER MOD Single : A 25 THR OG1 : rot 91:sc= 1.24 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.181 X(o=-0.18,f=-0.47) USER MOD Single : A 48 SER OG : rot -2:sc= 1.13 USER MOD Single : A 53 ASN : amide:sc= -0.376 K(o=-0.38,f=-10!) USER MOD Single : A 55 THR OG1 : rot 46:sc= 0.0145 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -81:sc= 0.27 USER MOD Single : A 69 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.2) USER MOD Single : A 71 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.385 X(o=-0.38,f=-0.13) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.230 6.258 6.376 1.00 0.00 N ATOM 2 CA MET A 1 15.122 5.584 7.060 1.00 0.00 C ATOM 3 C MET A 1 13.861 6.407 6.887 1.00 0.00 C ATOM 4 O MET A 1 13.929 7.641 6.811 1.00 0.00 O ATOM 5 CB MET A 1 15.448 5.403 8.553 1.00 0.00 C ATOM 6 CG MET A 1 14.371 4.686 9.354 1.00 0.00 C ATOM 7 SD MET A 1 14.823 4.473 11.081 1.00 0.00 S ATOM 8 CE MET A 1 13.358 3.640 11.700 1.00 0.00 C ATOM 0 H1 MET A 1 17.074 6.243 6.984 1.00 0.00 H new ATOM 0 H2 MET A 1 16.437 5.767 5.483 1.00 0.00 H new ATOM 0 H3 MET A 1 15.966 7.244 6.175 1.00 0.00 H new ATOM 0 HA MET A 1 14.971 4.596 6.625 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.381 4.846 8.643 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.619 6.384 8.996 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.441 5.251 9.292 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.181 3.709 8.909 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.478 3.435 12.764 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.486 4.277 11.549 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.219 2.702 11.163 1.00 0.00 H new ATOM 20 N VAL A 2 12.722 5.757 6.803 1.00 0.00 N ATOM 21 CA VAL A 2 11.480 6.460 6.652 1.00 0.00 C ATOM 22 C VAL A 2 10.547 6.139 7.803 1.00 0.00 C ATOM 23 O VAL A 2 10.413 4.983 8.229 1.00 0.00 O ATOM 24 CB VAL A 2 10.827 6.237 5.252 1.00 0.00 C ATOM 25 CG1 VAL A 2 10.374 4.796 5.041 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.703 7.222 5.000 1.00 0.00 C ATOM 0 H VAL A 2 12.636 4.741 6.837 1.00 0.00 H new ATOM 0 HA VAL A 2 11.693 7.528 6.693 1.00 0.00 H new ATOM 0 HB VAL A 2 11.603 6.427 4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.927 4.696 4.052 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.233 4.129 5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 2 9.638 4.531 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.271 7.038 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.934 7.099 5.763 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.094 8.239 5.040 1.00 0.00 H new ATOM 36 N THR A 3 9.985 7.186 8.335 1.00 0.00 N ATOM 37 CA THR A 3 9.116 7.147 9.464 1.00 0.00 C ATOM 38 C THR A 3 7.780 6.461 9.117 1.00 0.00 C ATOM 39 O THR A 3 7.270 5.627 9.873 1.00 0.00 O ATOM 40 CB THR A 3 8.866 8.585 9.871 1.00 0.00 C ATOM 41 OG1 THR A 3 10.027 9.363 9.475 1.00 0.00 O ATOM 42 CG2 THR A 3 8.740 8.663 11.355 1.00 0.00 C ATOM 0 H THR A 3 10.130 8.129 7.974 1.00 0.00 H new ATOM 0 HA THR A 3 9.571 6.574 10.272 1.00 0.00 H new ATOM 0 HB THR A 3 7.956 8.959 9.402 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.893 10.301 9.725 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.560 9.696 11.651 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.907 8.041 11.683 1.00 0.00 H new ATOM 0 HG23 THR A 3 9.661 8.308 11.818 1.00 0.00 H new ATOM 50 N ALA A 4 7.229 6.824 7.988 1.00 0.00 N ATOM 51 CA ALA A 4 6.021 6.224 7.499 1.00 0.00 C ATOM 52 C ALA A 4 6.350 5.597 6.183 1.00 0.00 C ATOM 53 O ALA A 4 6.702 6.285 5.252 1.00 0.00 O ATOM 54 CB ALA A 4 4.918 7.263 7.347 1.00 0.00 C ATOM 0 H ALA A 4 7.610 7.549 7.380 1.00 0.00 H new ATOM 0 HA ALA A 4 5.650 5.477 8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.014 6.782 6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.714 7.721 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.236 8.031 6.642 1.00 0.00 H new ATOM 60 N ALA A 5 6.281 4.308 6.122 1.00 0.00 N ATOM 61 CA ALA A 5 6.683 3.587 4.945 1.00 0.00 C ATOM 62 C ALA A 5 5.602 3.628 3.868 1.00 0.00 C ATOM 63 O ALA A 5 5.794 4.217 2.789 1.00 0.00 O ATOM 64 CB ALA A 5 7.039 2.161 5.328 1.00 0.00 C ATOM 0 H ALA A 5 5.945 3.719 6.884 1.00 0.00 H new ATOM 0 HA ALA A 5 7.564 4.067 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.344 1.611 4.438 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.858 2.171 6.047 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.170 1.676 5.774 1.00 0.00 H new ATOM 70 N LEU A 6 4.465 3.041 4.169 1.00 0.00 N ATOM 71 CA LEU A 6 3.372 2.971 3.228 1.00 0.00 C ATOM 72 C LEU A 6 2.047 2.890 3.959 1.00 0.00 C ATOM 73 O LEU A 6 1.933 2.211 4.987 1.00 0.00 O ATOM 74 CB LEU A 6 3.512 1.774 2.237 1.00 0.00 C ATOM 75 CG LEU A 6 3.572 0.338 2.832 1.00 0.00 C ATOM 76 CD1 LEU A 6 3.262 -0.695 1.778 1.00 0.00 C ATOM 77 CD2 LEU A 6 4.936 0.042 3.395 1.00 0.00 C ATOM 0 H LEU A 6 4.273 2.601 5.069 1.00 0.00 H new ATOM 0 HA LEU A 6 3.405 3.886 2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.671 1.814 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.417 1.930 1.650 1.00 0.00 H new ATOM 0 HG LEU A 6 2.828 0.291 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.310 -1.691 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.261 -0.522 1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.990 -0.620 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.949 -0.968 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.682 0.123 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.166 0.757 4.185 1.00 0.00 H new ATOM 89 N THR A 7 1.080 3.594 3.453 1.00 0.00 N ATOM 90 CA THR A 7 -0.246 3.599 3.995 1.00 0.00 C ATOM 91 C THR A 7 -1.156 2.794 3.074 1.00 0.00 C ATOM 92 O THR A 7 -1.246 3.069 1.876 1.00 0.00 O ATOM 93 CB THR A 7 -0.776 5.032 4.117 1.00 0.00 C ATOM 94 OG1 THR A 7 0.164 5.830 4.871 1.00 0.00 O ATOM 95 CG2 THR A 7 -2.126 5.039 4.816 1.00 0.00 C ATOM 0 H THR A 7 1.193 4.193 2.635 1.00 0.00 H new ATOM 0 HA THR A 7 -0.227 3.154 4.990 1.00 0.00 H new ATOM 0 HB THR A 7 -0.896 5.451 3.118 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.173 6.747 4.948 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.489 6.064 4.895 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.837 4.445 4.241 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.021 4.613 5.814 1.00 0.00 H new ATOM 103 N ILE A 8 -1.798 1.820 3.626 1.00 0.00 N ATOM 104 CA ILE A 8 -2.632 0.918 2.888 1.00 0.00 C ATOM 105 C ILE A 8 -4.115 1.222 3.113 1.00 0.00 C ATOM 106 O ILE A 8 -4.549 1.425 4.250 1.00 0.00 O ATOM 107 CB ILE A 8 -2.325 -0.529 3.312 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.885 -0.900 2.987 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.290 -1.498 2.686 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.489 -2.256 3.499 1.00 0.00 C ATOM 0 H ILE A 8 -1.760 1.620 4.626 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.420 1.045 1.826 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.450 -0.592 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.745 -0.873 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.219 -0.150 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.046 -2.511 3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.305 -1.253 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.219 -1.432 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.549 -2.457 3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.597 -2.281 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.131 -3.015 3.053 1.00 0.00 H new ATOM 122 N TYR A 9 -4.865 1.248 2.023 1.00 0.00 N ATOM 123 CA TYR A 9 -6.297 1.485 2.039 1.00 0.00 C ATOM 124 C TYR A 9 -7.018 0.241 1.567 1.00 0.00 C ATOM 125 O TYR A 9 -6.841 -0.167 0.424 1.00 0.00 O ATOM 126 CB TYR A 9 -6.627 2.657 1.117 1.00 0.00 C ATOM 127 CG TYR A 9 -5.918 3.918 1.498 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.258 4.599 2.653 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.888 4.411 0.721 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.597 5.744 3.022 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.215 5.549 1.082 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.569 6.217 2.232 1.00 0.00 C ATOM 133 OH TYR A 9 -3.887 7.355 2.596 1.00 0.00 O ATOM 0 H TYR A 9 -4.488 1.102 1.087 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.619 1.723 3.053 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.362 2.393 0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.703 2.833 1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.057 4.223 3.275 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.609 3.892 -0.184 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.879 6.270 3.922 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.409 5.920 0.466 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.884 7.436 3.573 1.00 0.00 H new ATOM 143 N THR A 10 -7.813 -0.368 2.436 1.00 0.00 N ATOM 144 CA THR A 10 -8.496 -1.604 2.095 1.00 0.00 C ATOM 145 C THR A 10 -9.993 -1.552 2.408 1.00 0.00 C ATOM 146 O THR A 10 -10.443 -0.758 3.249 1.00 0.00 O ATOM 147 CB THR A 10 -7.899 -2.791 2.886 1.00 0.00 C ATOM 148 OG1 THR A 10 -7.949 -2.518 4.290 1.00 0.00 O ATOM 149 CG2 THR A 10 -6.469 -3.093 2.483 1.00 0.00 C ATOM 0 H THR A 10 -7.999 -0.026 3.379 1.00 0.00 H new ATOM 0 HA THR A 10 -8.358 -1.736 1.022 1.00 0.00 H new ATOM 0 HB THR A 10 -8.502 -3.668 2.651 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.571 -3.275 4.784 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.096 -3.934 3.067 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.435 -3.344 1.423 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.846 -2.218 2.669 1.00 0.00 H new ATOM 157 N THR A 11 -10.748 -2.397 1.720 1.00 0.00 N ATOM 158 CA THR A 11 -12.146 -2.613 1.995 1.00 0.00 C ATOM 159 C THR A 11 -12.268 -3.881 2.813 1.00 0.00 C ATOM 160 O THR A 11 -11.308 -4.670 2.906 1.00 0.00 O ATOM 161 CB THR A 11 -12.953 -2.779 0.689 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.324 -3.757 -0.142 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.061 -1.476 -0.075 1.00 0.00 C ATOM 0 H THR A 11 -10.393 -2.956 0.945 1.00 0.00 H new ATOM 0 HA THR A 11 -12.543 -1.752 2.532 1.00 0.00 H new ATOM 0 HB THR A 11 -13.959 -3.099 0.960 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.359 -3.464 -1.076 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.636 -1.636 -0.987 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.562 -0.732 0.544 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.063 -1.121 -0.333 1.00 0.00 H new ATOM 171 N SER A 12 -13.389 -4.089 3.410 1.00 0.00 N ATOM 172 CA SER A 12 -13.607 -5.283 4.180 1.00 0.00 C ATOM 173 C SER A 12 -13.927 -6.475 3.253 1.00 0.00 C ATOM 174 O SER A 12 -13.687 -7.638 3.594 1.00 0.00 O ATOM 175 CB SER A 12 -14.757 -5.026 5.132 1.00 0.00 C ATOM 176 OG SER A 12 -14.536 -3.822 5.859 1.00 0.00 O ATOM 0 H SER A 12 -14.181 -3.447 3.385 1.00 0.00 H new ATOM 0 HA SER A 12 -12.707 -5.535 4.741 1.00 0.00 H new ATOM 0 HB2 SER A 12 -15.691 -4.956 4.575 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.860 -5.863 5.823 1.00 0.00 H new ATOM 0 HG SER A 12 -15.287 -3.666 6.469 1.00 0.00 H new ATOM 182 N TRP A 13 -14.395 -6.164 2.065 1.00 0.00 N ATOM 183 CA TRP A 13 -14.916 -7.162 1.138 1.00 0.00 C ATOM 184 C TRP A 13 -13.963 -7.570 0.006 1.00 0.00 C ATOM 185 O TRP A 13 -14.259 -8.503 -0.728 1.00 0.00 O ATOM 186 CB TRP A 13 -16.273 -6.695 0.586 1.00 0.00 C ATOM 187 CG TRP A 13 -16.272 -5.270 0.104 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.414 -4.155 0.877 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.138 -4.806 -1.244 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.357 -3.038 0.109 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.196 -3.402 -1.205 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.970 -5.439 -2.476 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.097 -2.620 -2.352 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.873 -4.664 -3.613 1.00 0.00 C ATOM 195 CH2 TRP A 13 -15.937 -3.269 -3.544 1.00 0.00 C ATOM 0 H TRP A 13 -14.428 -5.210 1.707 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.037 -8.075 1.721 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.564 -7.347 -0.237 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -17.029 -6.806 1.363 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.552 -4.161 1.948 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.423 -2.080 0.453 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.917 -6.516 -2.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -16.145 -1.542 -2.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.745 -5.143 -4.573 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -15.858 -2.691 -4.453 1.00 0.00 H new ATOM 206 N CYS A 14 -12.845 -6.892 -0.152 1.00 0.00 N ATOM 207 CA CYS A 14 -11.912 -7.271 -1.209 1.00 0.00 C ATOM 208 C CYS A 14 -10.990 -8.390 -0.727 1.00 0.00 C ATOM 209 O CYS A 14 -10.569 -8.408 0.446 1.00 0.00 O ATOM 210 CB CYS A 14 -11.101 -6.060 -1.700 1.00 0.00 C ATOM 211 SG CYS A 14 -9.870 -6.411 -2.978 1.00 0.00 S ATOM 0 H CYS A 14 -12.559 -6.096 0.418 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.490 -7.641 -2.056 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.795 -5.312 -2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.594 -5.614 -0.845 1.00 0.00 H new ATOM 0 HG CYS A 14 -10.348 -6.084 -4.142 1.00 0.00 H new ATOM 217 N GLY A 15 -10.689 -9.312 -1.618 1.00 0.00 N ATOM 218 CA GLY A 15 -9.843 -10.433 -1.299 1.00 0.00 C ATOM 219 C GLY A 15 -8.372 -10.088 -1.353 1.00 0.00 C ATOM 220 O GLY A 15 -7.546 -10.783 -0.775 1.00 0.00 O ATOM 0 H GLY A 15 -11.025 -9.302 -2.581 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.090 -10.797 -0.302 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.047 -11.247 -1.995 1.00 0.00 H new ATOM 224 N TYR A 16 -8.023 -9.012 -2.027 1.00 0.00 N ATOM 225 CA TYR A 16 -6.628 -8.619 -2.091 1.00 0.00 C ATOM 226 C TYR A 16 -6.193 -7.879 -0.847 1.00 0.00 C ATOM 227 O TYR A 16 -5.010 -7.737 -0.608 1.00 0.00 O ATOM 228 CB TYR A 16 -6.289 -7.810 -3.344 1.00 0.00 C ATOM 229 CG TYR A 16 -6.295 -8.611 -4.617 1.00 0.00 C ATOM 230 CD1 TYR A 16 -5.547 -9.777 -4.723 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.044 -8.213 -5.707 1.00 0.00 C ATOM 232 CE1 TYR A 16 -5.546 -10.517 -5.882 1.00 0.00 C ATOM 233 CE2 TYR A 16 -7.049 -8.948 -6.871 1.00 0.00 C ATOM 234 CZ TYR A 16 -6.297 -10.100 -6.954 1.00 0.00 C ATOM 235 OH TYR A 16 -6.300 -10.842 -8.115 1.00 0.00 O ATOM 0 H TYR A 16 -8.670 -8.404 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.065 -9.550 -2.151 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.004 -6.993 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.305 -7.359 -3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.957 -10.108 -3.881 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.635 -7.311 -5.645 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.958 -11.421 -5.949 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.639 -8.623 -7.715 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.882 -10.412 -8.776 1.00 0.00 H new ATOM 245 N CYS A 17 -7.155 -7.441 -0.048 1.00 0.00 N ATOM 246 CA CYS A 17 -6.873 -6.712 1.183 1.00 0.00 C ATOM 247 C CYS A 17 -6.023 -7.542 2.139 1.00 0.00 C ATOM 248 O CYS A 17 -4.897 -7.163 2.478 1.00 0.00 O ATOM 249 CB CYS A 17 -8.171 -6.311 1.862 1.00 0.00 C ATOM 250 SG CYS A 17 -9.213 -5.233 0.871 1.00 0.00 S ATOM 0 H CYS A 17 -8.149 -7.579 -0.232 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.310 -5.817 0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.732 -7.212 2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.938 -5.810 2.802 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.373 -5.103 1.444 1.00 0.00 H new ATOM 256 N LEU A 18 -6.538 -8.696 2.521 1.00 0.00 N ATOM 257 CA LEU A 18 -5.839 -9.559 3.455 1.00 0.00 C ATOM 258 C LEU A 18 -4.670 -10.248 2.769 1.00 0.00 C ATOM 259 O LEU A 18 -3.672 -10.578 3.408 1.00 0.00 O ATOM 260 CB LEU A 18 -6.776 -10.596 4.139 1.00 0.00 C ATOM 261 CG LEU A 18 -7.358 -11.754 3.292 1.00 0.00 C ATOM 262 CD1 LEU A 18 -8.093 -12.729 4.184 1.00 0.00 C ATOM 263 CD2 LEU A 18 -8.302 -11.254 2.221 1.00 0.00 C ATOM 0 H LEU A 18 -7.436 -9.057 2.200 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.456 -8.921 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.226 -11.039 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.615 -10.049 4.569 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.520 -12.249 2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.499 -13.540 3.580 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.403 -13.137 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.907 -12.213 4.693 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.686 -12.100 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.132 -10.723 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.769 -10.578 1.552 1.00 0.00 H new ATOM 275 N ARG A 19 -4.783 -10.418 1.457 1.00 0.00 N ATOM 276 CA ARG A 19 -3.738 -11.042 0.678 1.00 0.00 C ATOM 277 C ARG A 19 -2.478 -10.172 0.683 1.00 0.00 C ATOM 278 O ARG A 19 -1.359 -10.674 0.854 1.00 0.00 O ATOM 279 CB ARG A 19 -4.217 -11.303 -0.757 1.00 0.00 C ATOM 280 CG ARG A 19 -3.179 -11.951 -1.669 1.00 0.00 C ATOM 281 CD ARG A 19 -2.633 -13.252 -1.074 1.00 0.00 C ATOM 282 NE ARG A 19 -3.681 -14.259 -0.856 1.00 0.00 N ATOM 283 CZ ARG A 19 -3.849 -14.988 0.273 1.00 0.00 C ATOM 284 NH1 ARG A 19 -3.178 -14.681 1.396 1.00 0.00 N ATOM 285 NH2 ARG A 19 -4.717 -15.988 0.288 1.00 0.00 N ATOM 0 H ARG A 19 -5.596 -10.128 0.914 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.492 -12.002 1.132 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.098 -11.943 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.529 -10.357 -1.199 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.627 -12.156 -2.641 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.357 -11.255 -1.837 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.874 -13.662 -1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.141 -13.035 -0.126 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.337 -14.423 -1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.533 -13.891 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.314 -15.238 2.240 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.257 -16.207 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.846 -16.539 1.137 1.00 0.00 H new ATOM 299 N LEU A 20 -2.682 -8.877 0.527 1.00 0.00 N ATOM 300 CA LEU A 20 -1.611 -7.899 0.541 1.00 0.00 C ATOM 301 C LEU A 20 -0.911 -7.896 1.904 1.00 0.00 C ATOM 302 O LEU A 20 0.326 -7.824 1.985 1.00 0.00 O ATOM 303 CB LEU A 20 -2.181 -6.509 0.188 1.00 0.00 C ATOM 304 CG LEU A 20 -1.215 -5.325 0.207 1.00 0.00 C ATOM 305 CD1 LEU A 20 -0.068 -5.519 -0.780 1.00 0.00 C ATOM 306 CD2 LEU A 20 -1.956 -4.030 -0.084 1.00 0.00 C ATOM 0 H LEU A 20 -3.607 -8.471 0.385 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.863 -8.161 -0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.621 -6.569 -0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.993 -6.292 0.882 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.783 -5.266 1.206 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.598 -4.657 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.488 -6.420 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.469 -5.619 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.253 -3.197 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.423 -4.091 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.724 -3.872 0.673 1.00 0.00 H new ATOM 318 N LYS A 21 -1.708 -8.034 2.972 1.00 0.00 N ATOM 319 CA LYS A 21 -1.180 -8.088 4.345 1.00 0.00 C ATOM 320 C LYS A 21 -0.205 -9.259 4.492 1.00 0.00 C ATOM 321 O LYS A 21 0.897 -9.103 5.048 1.00 0.00 O ATOM 322 CB LYS A 21 -2.313 -8.243 5.380 1.00 0.00 C ATOM 323 CG LYS A 21 -3.386 -7.160 5.340 1.00 0.00 C ATOM 324 CD LYS A 21 -2.820 -5.773 5.592 1.00 0.00 C ATOM 325 CE LYS A 21 -3.919 -4.718 5.556 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.935 -4.909 6.610 1.00 0.00 N ATOM 0 H LYS A 21 -2.723 -8.111 2.913 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.662 -7.148 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.791 -9.211 5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.872 -8.258 6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.879 -7.177 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.148 -7.380 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.322 -5.751 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.065 -5.542 4.840 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.471 -3.730 5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.406 -4.741 4.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.638 -4.144 6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.409 -5.824 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.475 -4.893 7.543 1.00 0.00 H new ATOM 340 N THR A 22 -0.604 -10.412 3.959 1.00 0.00 N ATOM 341 CA THR A 22 0.194 -11.626 3.991 1.00 0.00 C ATOM 342 C THR A 22 1.556 -11.407 3.312 1.00 0.00 C ATOM 343 O THR A 22 2.611 -11.701 3.894 1.00 0.00 O ATOM 344 CB THR A 22 -0.556 -12.767 3.255 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.873 -12.911 3.800 1.00 0.00 O ATOM 346 CG2 THR A 22 0.186 -14.088 3.380 1.00 0.00 C ATOM 0 H THR A 22 -1.502 -10.526 3.488 1.00 0.00 H new ATOM 0 HA THR A 22 0.357 -11.895 5.034 1.00 0.00 H new ATOM 0 HB THR A 22 -0.615 -12.503 2.199 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.438 -12.172 3.491 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.366 -14.867 2.853 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.180 -13.990 2.944 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.277 -14.356 4.433 1.00 0.00 H new ATOM 354 N ALA A 23 1.519 -10.841 2.113 1.00 0.00 N ATOM 355 CA ALA A 23 2.708 -10.643 1.303 1.00 0.00 C ATOM 356 C ALA A 23 3.699 -9.691 1.969 1.00 0.00 C ATOM 357 O ALA A 23 4.921 -9.944 1.988 1.00 0.00 O ATOM 358 CB ALA A 23 2.320 -10.143 -0.084 1.00 0.00 C ATOM 0 H ALA A 23 0.660 -10.506 1.676 1.00 0.00 H new ATOM 0 HA ALA A 23 3.209 -11.606 1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.219 -9.998 -0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.676 -10.877 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.787 -9.196 0.006 1.00 0.00 H new ATOM 364 N LEU A 24 3.186 -8.619 2.544 1.00 0.00 N ATOM 365 CA LEU A 24 4.048 -7.640 3.186 1.00 0.00 C ATOM 366 C LEU A 24 4.652 -8.188 4.461 1.00 0.00 C ATOM 367 O LEU A 24 5.848 -8.013 4.712 1.00 0.00 O ATOM 368 CB LEU A 24 3.331 -6.328 3.480 1.00 0.00 C ATOM 369 CG LEU A 24 2.689 -5.564 2.318 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.195 -4.242 2.819 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.642 -5.342 1.158 1.00 0.00 C ATOM 0 H LEU A 24 2.190 -8.404 2.581 1.00 0.00 H new ATOM 0 HA LEU A 24 4.846 -7.431 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.550 -6.535 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.047 -5.660 3.959 1.00 0.00 H new ATOM 0 HG LEU A 24 1.867 -6.172 1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.736 -3.690 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.457 -4.403 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.032 -3.669 3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.130 -4.796 0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.502 -4.765 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.980 -6.305 0.775 1.00 0.00 H new ATOM 383 N THR A 25 3.850 -8.876 5.237 1.00 0.00 N ATOM 384 CA THR A 25 4.302 -9.434 6.491 1.00 0.00 C ATOM 385 C THR A 25 5.390 -10.507 6.249 1.00 0.00 C ATOM 386 O THR A 25 6.361 -10.608 7.004 1.00 0.00 O ATOM 387 CB THR A 25 3.105 -10.006 7.281 1.00 0.00 C ATOM 388 OG1 THR A 25 2.115 -8.965 7.450 1.00 0.00 O ATOM 389 CG2 THR A 25 3.529 -10.516 8.649 1.00 0.00 C ATOM 0 H THR A 25 2.871 -9.065 5.020 1.00 0.00 H new ATOM 0 HA THR A 25 4.752 -8.642 7.090 1.00 0.00 H new ATOM 0 HB THR A 25 2.694 -10.845 6.720 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.478 -8.995 6.706 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.660 -10.911 9.175 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.270 -11.306 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.961 -9.697 9.225 1.00 0.00 H new ATOM 397 N ALA A 26 5.259 -11.242 5.143 1.00 0.00 N ATOM 398 CA ALA A 26 6.228 -12.265 4.765 1.00 0.00 C ATOM 399 C ALA A 26 7.590 -11.643 4.499 1.00 0.00 C ATOM 400 O ALA A 26 8.627 -12.231 4.795 1.00 0.00 O ATOM 401 CB ALA A 26 5.747 -13.024 3.538 1.00 0.00 C ATOM 0 H ALA A 26 4.482 -11.144 4.489 1.00 0.00 H new ATOM 0 HA ALA A 26 6.325 -12.966 5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.481 -13.783 3.269 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.793 -13.503 3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.622 -12.330 2.707 1.00 0.00 H new ATOM 407 N ASN A 27 7.574 -10.427 4.000 1.00 0.00 N ATOM 408 CA ASN A 27 8.795 -9.709 3.660 1.00 0.00 C ATOM 409 C ASN A 27 9.232 -8.767 4.766 1.00 0.00 C ATOM 410 O ASN A 27 10.132 -7.951 4.565 1.00 0.00 O ATOM 411 CB ASN A 27 8.641 -8.954 2.338 1.00 0.00 C ATOM 412 CG ASN A 27 8.753 -9.855 1.125 1.00 0.00 C ATOM 413 OD1 ASN A 27 9.844 -10.030 0.572 1.00 0.00 O ATOM 414 ND2 ASN A 27 7.662 -10.436 0.705 1.00 0.00 N ATOM 0 H ASN A 27 6.718 -9.903 3.816 1.00 0.00 H new ATOM 0 HA ASN A 27 9.579 -10.457 3.541 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.673 -8.452 2.323 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.404 -8.177 2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.694 -11.057 -0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.778 -10.269 1.185 1.00 0.00 H new ATOM 421 N ARG A 28 8.588 -8.894 5.944 1.00 0.00 N ATOM 422 CA ARG A 28 8.900 -8.098 7.159 1.00 0.00 C ATOM 423 C ARG A 28 8.634 -6.600 6.947 1.00 0.00 C ATOM 424 O ARG A 28 9.131 -5.757 7.711 1.00 0.00 O ATOM 425 CB ARG A 28 10.365 -8.299 7.594 1.00 0.00 C ATOM 426 CG ARG A 28 10.752 -9.728 7.940 1.00 0.00 C ATOM 427 CD ARG A 28 12.233 -9.813 8.285 1.00 0.00 C ATOM 428 NE ARG A 28 13.077 -9.332 7.173 1.00 0.00 N ATOM 429 CZ ARG A 28 14.194 -8.580 7.311 1.00 0.00 C ATOM 430 NH1 ARG A 28 14.665 -8.273 8.515 1.00 0.00 N ATOM 431 NH2 ARG A 28 14.837 -8.146 6.239 1.00 0.00 N ATOM 0 H ARG A 28 7.827 -9.559 6.085 1.00 0.00 H new ATOM 0 HA ARG A 28 8.237 -8.459 7.946 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.016 -7.948 6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.559 -7.668 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.156 -10.078 8.783 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.531 -10.384 7.098 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.434 -9.221 9.178 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.494 -10.845 8.521 1.00 0.00 H new ATOM 0 HE ARG A 28 12.796 -9.587 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.184 -8.605 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.508 -7.705 8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.491 -8.378 5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.679 -7.579 6.344 1.00 0.00 H new ATOM 445 N ILE A 29 7.818 -6.287 5.964 1.00 0.00 N ATOM 446 CA ILE A 29 7.538 -4.912 5.600 1.00 0.00 C ATOM 447 C ILE A 29 6.623 -4.266 6.635 1.00 0.00 C ATOM 448 O ILE A 29 5.578 -4.828 6.993 1.00 0.00 O ATOM 449 CB ILE A 29 6.866 -4.825 4.204 1.00 0.00 C ATOM 450 CG1 ILE A 29 7.755 -5.482 3.134 1.00 0.00 C ATOM 451 CG2 ILE A 29 6.586 -3.363 3.842 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.096 -5.669 1.803 1.00 0.00 C ATOM 0 H ILE A 29 7.329 -6.977 5.394 1.00 0.00 H new ATOM 0 HA ILE A 29 8.489 -4.381 5.566 1.00 0.00 H new ATOM 0 HB ILE A 29 5.919 -5.364 4.241 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.649 -4.873 2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.084 -6.454 3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.114 -3.315 2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.921 -2.925 4.586 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.523 -2.807 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.797 -6.138 1.113 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.219 -6.305 1.918 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.792 -4.700 1.408 1.00 0.00 H new ATOM 464 N ALA A 30 7.030 -3.124 7.117 1.00 0.00 N ATOM 465 CA ALA A 30 6.263 -2.352 8.057 1.00 0.00 C ATOM 466 C ALA A 30 5.314 -1.472 7.286 1.00 0.00 C ATOM 467 O ALA A 30 5.676 -0.972 6.229 1.00 0.00 O ATOM 468 CB ALA A 30 7.195 -1.497 8.872 1.00 0.00 C ATOM 0 H ALA A 30 7.920 -2.696 6.863 1.00 0.00 H new ATOM 0 HA ALA A 30 5.705 -3.009 8.723 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.619 -0.909 9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.897 -2.134 9.409 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.745 -0.827 8.211 1.00 0.00 H new ATOM 474 N TYR A 31 4.124 -1.268 7.792 1.00 0.00 N ATOM 475 CA TYR A 31 3.143 -0.481 7.078 1.00 0.00 C ATOM 476 C TYR A 31 2.147 0.182 8.013 1.00 0.00 C ATOM 477 O TYR A 31 2.155 -0.054 9.226 1.00 0.00 O ATOM 478 CB TYR A 31 2.407 -1.340 6.016 1.00 0.00 C ATOM 479 CG TYR A 31 1.727 -2.598 6.556 1.00 0.00 C ATOM 480 CD1 TYR A 31 0.436 -2.557 7.079 1.00 0.00 C ATOM 481 CD2 TYR A 31 2.376 -3.829 6.526 1.00 0.00 C ATOM 482 CE1 TYR A 31 -0.180 -3.696 7.555 1.00 0.00 C ATOM 483 CE2 TYR A 31 1.764 -4.972 7.002 1.00 0.00 C ATOM 484 CZ TYR A 31 0.487 -4.900 7.515 1.00 0.00 C ATOM 485 OH TYR A 31 -0.129 -6.042 7.993 1.00 0.00 O ATOM 0 H TYR A 31 3.809 -1.633 8.691 1.00 0.00 H new ATOM 0 HA TYR A 31 3.686 0.314 6.567 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.655 -0.720 5.528 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.124 -1.634 5.249 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.092 -1.616 7.112 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.376 -3.891 6.123 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.181 -3.644 7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.284 -5.918 6.972 1.00 0.00 H new ATOM 0 HH TYR A 31 0.476 -6.807 7.892 1.00 0.00 H new ATOM 495 N ASP A 32 1.323 1.027 7.437 1.00 0.00 N ATOM 496 CA ASP A 32 0.247 1.705 8.133 1.00 0.00 C ATOM 497 C ASP A 32 -1.035 1.293 7.458 1.00 0.00 C ATOM 498 O ASP A 32 -1.192 1.492 6.257 1.00 0.00 O ATOM 499 CB ASP A 32 0.422 3.230 8.041 1.00 0.00 C ATOM 500 CG ASP A 32 -0.616 4.013 8.836 1.00 0.00 C ATOM 501 OD1 ASP A 32 -0.396 4.221 10.056 1.00 0.00 O ATOM 502 OD2 ASP A 32 -1.631 4.458 8.263 1.00 0.00 O ATOM 0 H ASP A 32 1.382 1.270 6.448 1.00 0.00 H new ATOM 0 HA ASP A 32 0.242 1.437 9.190 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.417 3.495 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.369 3.531 6.995 1.00 0.00 H new ATOM 507 N GLU A 33 -1.913 0.682 8.184 1.00 0.00 N ATOM 508 CA GLU A 33 -3.135 0.184 7.611 1.00 0.00 C ATOM 509 C GLU A 33 -4.330 0.936 8.182 1.00 0.00 C ATOM 510 O GLU A 33 -4.525 1.001 9.405 1.00 0.00 O ATOM 511 CB GLU A 33 -3.251 -1.334 7.857 1.00 0.00 C ATOM 512 CG GLU A 33 -3.252 -1.750 9.322 1.00 0.00 C ATOM 513 CD GLU A 33 -3.371 -3.233 9.509 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.252 -3.852 8.914 1.00 0.00 O ATOM 515 OE2 GLU A 33 -2.604 -3.810 10.290 1.00 0.00 O ATOM 0 H GLU A 33 -1.812 0.511 9.184 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.123 0.351 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.169 -1.693 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.423 -1.833 7.354 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.333 -1.402 9.793 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.079 -1.257 9.834 1.00 0.00 H new ATOM 522 N VAL A 34 -5.112 1.508 7.328 1.00 0.00 N ATOM 523 CA VAL A 34 -6.274 2.238 7.751 1.00 0.00 C ATOM 524 C VAL A 34 -7.426 1.846 6.826 1.00 0.00 C ATOM 525 O VAL A 34 -7.219 1.677 5.616 1.00 0.00 O ATOM 526 CB VAL A 34 -5.982 3.787 7.749 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.728 4.351 6.369 1.00 0.00 C ATOM 528 CG2 VAL A 34 -7.051 4.572 8.451 1.00 0.00 C ATOM 0 H VAL A 34 -4.969 1.486 6.318 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.548 1.990 8.776 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.055 3.897 8.312 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.534 5.421 6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.864 3.856 5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.603 4.183 5.741 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.802 5.633 8.421 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.007 4.410 7.954 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.121 4.245 9.488 1.00 0.00 H new ATOM 538 N ASP A 35 -8.615 1.629 7.360 1.00 0.00 N ATOM 539 CA ASP A 35 -9.679 1.181 6.485 1.00 0.00 C ATOM 540 C ASP A 35 -10.456 2.347 5.955 1.00 0.00 C ATOM 541 O ASP A 35 -10.697 3.346 6.648 1.00 0.00 O ATOM 542 CB ASP A 35 -10.629 0.140 7.132 1.00 0.00 C ATOM 543 CG ASP A 35 -11.517 0.683 8.239 1.00 0.00 C ATOM 544 OD1 ASP A 35 -12.596 1.226 7.940 1.00 0.00 O ATOM 545 OD2 ASP A 35 -11.169 0.517 9.429 1.00 0.00 O ATOM 0 H ASP A 35 -8.860 1.748 8.343 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.188 0.666 5.659 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.263 -0.285 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -10.029 -0.676 7.535 1.00 0.00 H new ATOM 550 N ILE A 36 -10.826 2.229 4.725 1.00 0.00 N ATOM 551 CA ILE A 36 -11.582 3.241 4.029 1.00 0.00 C ATOM 552 C ILE A 36 -13.062 3.094 4.282 1.00 0.00 C ATOM 553 O ILE A 36 -13.877 3.887 3.804 1.00 0.00 O ATOM 554 CB ILE A 36 -11.295 3.198 2.539 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.726 1.849 1.978 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.817 3.440 2.325 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.474 1.653 0.515 1.00 0.00 C ATOM 0 H ILE A 36 -10.612 1.412 4.154 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.268 4.210 4.417 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.856 3.972 2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.207 1.063 2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.792 1.720 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.594 3.412 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.546 4.416 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.244 2.666 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.816 0.662 0.216 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.015 2.410 -0.052 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.406 1.744 0.314 1.00 0.00 H new ATOM 569 N GLU A 37 -13.412 2.077 5.014 1.00 0.00 N ATOM 570 CA GLU A 37 -14.782 1.792 5.265 1.00 0.00 C ATOM 571 C GLU A 37 -15.284 2.787 6.311 1.00 0.00 C ATOM 572 O GLU A 37 -16.410 3.277 6.237 1.00 0.00 O ATOM 573 CB GLU A 37 -14.938 0.332 5.697 1.00 0.00 C ATOM 574 CG GLU A 37 -14.218 -0.650 4.766 1.00 0.00 C ATOM 575 CD GLU A 37 -14.846 -0.772 3.387 1.00 0.00 C ATOM 576 OE1 GLU A 37 -14.979 0.246 2.658 1.00 0.00 O ATOM 577 OE2 GLU A 37 -15.189 -1.909 2.991 1.00 0.00 O ATOM 0 H GLU A 37 -12.755 1.429 5.449 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.388 1.908 4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.550 0.215 6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -15.998 0.081 5.731 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.181 -0.334 4.654 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.203 -1.634 5.235 1.00 0.00 H new ATOM 584 N HIS A 38 -14.420 3.098 7.268 1.00 0.00 N ATOM 585 CA HIS A 38 -14.687 4.149 8.224 1.00 0.00 C ATOM 586 C HIS A 38 -14.225 5.499 7.664 1.00 0.00 C ATOM 587 O HIS A 38 -14.924 6.505 7.785 1.00 0.00 O ATOM 588 CB HIS A 38 -14.008 3.863 9.587 1.00 0.00 C ATOM 589 CG HIS A 38 -14.179 4.972 10.603 1.00 0.00 C ATOM 590 ND1 HIS A 38 -13.135 5.585 11.256 1.00 0.00 N ATOM 591 CD2 HIS A 38 -15.302 5.577 11.055 1.00 0.00 C ATOM 592 CE1 HIS A 38 -13.636 6.520 12.059 1.00 0.00 C ATOM 593 NE2 HIS A 38 -14.954 6.560 11.978 1.00 0.00 N ATOM 0 H HIS A 38 -13.523 2.630 7.398 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.763 4.185 8.395 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.417 2.940 9.999 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.944 3.695 9.423 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -16.309 5.336 10.748 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -13.043 7.162 12.694 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.585 7.181 12.485 1.00 0.00 H new ATOM 601 N ASN A 39 -13.060 5.522 7.050 1.00 0.00 N ATOM 602 CA ASN A 39 -12.534 6.773 6.520 1.00 0.00 C ATOM 603 C ASN A 39 -13.050 7.012 5.136 1.00 0.00 C ATOM 604 O ASN A 39 -12.514 6.488 4.157 1.00 0.00 O ATOM 605 CB ASN A 39 -11.003 6.824 6.513 1.00 0.00 C ATOM 606 CG ASN A 39 -10.392 6.716 7.871 1.00 0.00 C ATOM 607 OD1 ASN A 39 -10.205 7.708 8.573 1.00 0.00 O ATOM 608 ND2 ASN A 39 -10.041 5.532 8.242 1.00 0.00 N ATOM 0 H ASN A 39 -12.465 4.707 6.905 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.881 7.560 7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.624 6.015 5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.682 7.759 6.053 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.591 5.394 9.147 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.214 4.734 7.631 1.00 0.00 H new ATOM 615 N ARG A 40 -14.085 7.803 5.041 1.00 0.00 N ATOM 616 CA ARG A 40 -14.722 8.063 3.774 1.00 0.00 C ATOM 617 C ARG A 40 -13.845 8.957 2.889 1.00 0.00 C ATOM 618 O ARG A 40 -13.865 8.834 1.668 1.00 0.00 O ATOM 619 CB ARG A 40 -16.111 8.660 3.977 1.00 0.00 C ATOM 620 CG ARG A 40 -16.877 8.853 2.693 1.00 0.00 C ATOM 621 CD ARG A 40 -18.245 9.438 2.938 1.00 0.00 C ATOM 622 NE ARG A 40 -18.958 9.608 1.679 1.00 0.00 N ATOM 623 CZ ARG A 40 -20.273 9.797 1.542 1.00 0.00 C ATOM 624 NH1 ARG A 40 -21.059 9.947 2.612 1.00 0.00 N ATOM 625 NH2 ARG A 40 -20.790 9.851 0.326 1.00 0.00 N ATOM 0 H ARG A 40 -14.510 8.284 5.834 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.845 7.113 3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.684 8.010 4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.014 9.622 4.481 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.314 9.510 2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.978 7.895 2.183 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.814 8.785 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.151 10.400 3.443 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.402 9.580 0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.656 9.918 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.062 10.091 2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.186 9.749 -0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.792 9.995 0.204 1.00 0.00 H new ATOM 639 N ALA A 41 -13.029 9.808 3.508 1.00 0.00 N ATOM 640 CA ALA A 41 -12.118 10.658 2.744 1.00 0.00 C ATOM 641 C ALA A 41 -11.034 9.806 2.141 1.00 0.00 C ATOM 642 O ALA A 41 -10.588 10.038 1.010 1.00 0.00 O ATOM 643 CB ALA A 41 -11.497 11.729 3.604 1.00 0.00 C ATOM 0 H ALA A 41 -12.979 9.927 4.520 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.693 11.152 1.961 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.827 12.339 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.281 12.359 4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.933 11.265 4.413 1.00 0.00 H new ATOM 649 N ALA A 42 -10.623 8.801 2.890 1.00 0.00 N ATOM 650 CA ALA A 42 -9.637 7.874 2.412 1.00 0.00 C ATOM 651 C ALA A 42 -10.238 7.027 1.306 1.00 0.00 C ATOM 652 O ALA A 42 -9.577 6.742 0.324 1.00 0.00 O ATOM 653 CB ALA A 42 -9.086 7.010 3.539 1.00 0.00 C ATOM 0 H ALA A 42 -10.963 8.612 3.833 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.793 8.435 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.342 6.321 3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.622 7.647 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.899 6.443 3.994 1.00 0.00 H new ATOM 659 N ALA A 43 -11.522 6.666 1.469 1.00 0.00 N ATOM 660 CA ALA A 43 -12.275 5.901 0.467 1.00 0.00 C ATOM 661 C ALA A 43 -12.377 6.668 -0.833 1.00 0.00 C ATOM 662 O ALA A 43 -12.231 6.098 -1.917 1.00 0.00 O ATOM 663 CB ALA A 43 -13.669 5.568 0.973 1.00 0.00 C ATOM 0 H ALA A 43 -12.065 6.898 2.301 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.733 4.972 0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.206 5.001 0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.593 4.973 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.209 6.491 1.187 1.00 0.00 H new ATOM 669 N GLU A 44 -12.630 7.955 -0.717 1.00 0.00 N ATOM 670 CA GLU A 44 -12.722 8.834 -1.855 1.00 0.00 C ATOM 671 C GLU A 44 -11.366 8.854 -2.579 1.00 0.00 C ATOM 672 O GLU A 44 -11.295 8.693 -3.811 1.00 0.00 O ATOM 673 CB GLU A 44 -13.103 10.234 -1.374 1.00 0.00 C ATOM 674 CG GLU A 44 -13.468 11.201 -2.478 1.00 0.00 C ATOM 675 CD GLU A 44 -14.670 10.751 -3.263 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.802 10.878 -2.763 1.00 0.00 O ATOM 677 OE2 GLU A 44 -14.506 10.283 -4.398 1.00 0.00 O ATOM 0 H GLU A 44 -12.778 8.420 0.179 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.486 8.484 -2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.946 10.151 -0.688 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.270 10.648 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.666 12.182 -2.047 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.619 11.315 -3.152 1.00 0.00 H new ATOM 684 N PHE A 45 -10.304 8.983 -1.787 1.00 0.00 N ATOM 685 CA PHE A 45 -8.934 8.986 -2.272 1.00 0.00 C ATOM 686 C PHE A 45 -8.629 7.703 -3.064 1.00 0.00 C ATOM 687 O PHE A 45 -8.334 7.754 -4.268 1.00 0.00 O ATOM 688 CB PHE A 45 -7.958 9.124 -1.087 1.00 0.00 C ATOM 689 CG PHE A 45 -6.506 9.057 -1.489 1.00 0.00 C ATOM 690 CD1 PHE A 45 -5.874 10.160 -2.021 1.00 0.00 C ATOM 691 CD2 PHE A 45 -5.782 7.872 -1.358 1.00 0.00 C ATOM 692 CE1 PHE A 45 -4.554 10.098 -2.412 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.466 7.808 -1.753 1.00 0.00 C ATOM 694 CZ PHE A 45 -3.852 8.922 -2.280 1.00 0.00 C ATOM 0 H PHE A 45 -10.377 9.090 -0.775 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.807 9.837 -2.942 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.143 10.073 -0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.163 8.334 -0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.420 11.085 -2.133 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.259 6.997 -0.943 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.071 10.972 -2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.915 6.885 -1.650 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.819 8.873 -2.590 1.00 0.00 H new ATOM 704 N VAL A 46 -8.747 6.565 -2.395 1.00 0.00 N ATOM 705 CA VAL A 46 -8.453 5.265 -2.989 1.00 0.00 C ATOM 706 C VAL A 46 -9.361 4.960 -4.190 1.00 0.00 C ATOM 707 O VAL A 46 -8.910 4.398 -5.168 1.00 0.00 O ATOM 708 CB VAL A 46 -8.459 4.123 -1.920 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.702 4.124 -1.163 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.289 2.769 -2.515 1.00 0.00 C ATOM 0 H VAL A 46 -9.050 6.515 -1.422 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.438 5.313 -3.383 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.609 4.329 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.680 3.321 -0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.817 5.080 -0.653 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.541 3.972 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.301 2.020 -1.724 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.103 2.573 -3.213 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.338 2.721 -3.045 1.00 0.00 H new ATOM 720 N GLY A 47 -10.603 5.411 -4.137 1.00 0.00 N ATOM 721 CA GLY A 47 -11.519 5.203 -5.237 1.00 0.00 C ATOM 722 C GLY A 47 -11.102 5.950 -6.493 1.00 0.00 C ATOM 723 O GLY A 47 -11.257 5.446 -7.603 1.00 0.00 O ATOM 0 H GLY A 47 -10.996 5.921 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.582 4.137 -5.456 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.517 5.527 -4.940 1.00 0.00 H new ATOM 727 N SER A 48 -10.528 7.128 -6.321 1.00 0.00 N ATOM 728 CA SER A 48 -10.110 7.940 -7.453 1.00 0.00 C ATOM 729 C SER A 48 -8.765 7.480 -8.041 1.00 0.00 C ATOM 730 O SER A 48 -8.355 7.930 -9.108 1.00 0.00 O ATOM 731 CB SER A 48 -10.079 9.425 -7.070 1.00 0.00 C ATOM 732 OG SER A 48 -9.257 9.665 -5.925 1.00 0.00 O ATOM 0 H SER A 48 -10.340 7.544 -5.409 1.00 0.00 H new ATOM 0 HA SER A 48 -10.851 7.805 -8.241 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.707 10.009 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.093 9.768 -6.867 1.00 0.00 H new ATOM 0 HG SER A 48 -8.897 8.815 -5.597 1.00 0.00 H new ATOM 738 N VAL A 49 -8.078 6.604 -7.329 1.00 0.00 N ATOM 739 CA VAL A 49 -6.802 6.053 -7.794 1.00 0.00 C ATOM 740 C VAL A 49 -6.950 4.554 -8.030 1.00 0.00 C ATOM 741 O VAL A 49 -5.962 3.815 -8.195 1.00 0.00 O ATOM 742 CB VAL A 49 -5.642 6.321 -6.785 1.00 0.00 C ATOM 743 CG1 VAL A 49 -5.404 7.803 -6.632 1.00 0.00 C ATOM 744 CG2 VAL A 49 -5.940 5.719 -5.432 1.00 0.00 C ATOM 0 H VAL A 49 -8.379 6.253 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.543 6.555 -8.726 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.745 5.849 -7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.592 7.970 -5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.137 8.230 -7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.311 8.281 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.113 5.923 -4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.855 6.157 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.068 4.641 -5.534 1.00 0.00 H new ATOM 754 N ASN A 50 -8.181 4.121 -8.057 1.00 0.00 N ATOM 755 CA ASN A 50 -8.519 2.717 -8.163 1.00 0.00 C ATOM 756 C ASN A 50 -8.861 2.373 -9.600 1.00 0.00 C ATOM 757 O ASN A 50 -8.685 3.191 -10.498 1.00 0.00 O ATOM 758 CB ASN A 50 -9.752 2.397 -7.319 1.00 0.00 C ATOM 759 CG ASN A 50 -9.531 1.257 -6.371 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.403 0.409 -6.175 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.424 1.261 -5.715 1.00 0.00 N ATOM 0 H ASN A 50 -8.992 4.737 -8.006 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.659 2.143 -7.817 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.038 3.283 -6.753 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.586 2.157 -7.979 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.248 0.547 -5.008 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.723 1.978 -5.902 1.00 0.00 H new ATOM 768 N GLY A 51 -9.350 1.162 -9.811 1.00 0.00 N ATOM 769 CA GLY A 51 -9.810 0.758 -11.117 1.00 0.00 C ATOM 770 C GLY A 51 -11.270 1.124 -11.296 1.00 0.00 C ATOM 771 O GLY A 51 -12.147 0.247 -11.325 1.00 0.00 O ATOM 0 H GLY A 51 -9.436 0.446 -9.090 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.210 1.242 -11.887 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.680 -0.317 -11.240 1.00 0.00 H new ATOM 775 N GLY A 52 -11.536 2.409 -11.390 1.00 0.00 N ATOM 776 CA GLY A 52 -12.887 2.897 -11.508 1.00 0.00 C ATOM 777 C GLY A 52 -13.389 3.414 -10.176 1.00 0.00 C ATOM 778 O GLY A 52 -13.105 4.553 -9.794 1.00 0.00 O ATOM 0 H GLY A 52 -10.824 3.139 -11.387 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.927 3.693 -12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.538 2.097 -11.862 1.00 0.00 H new ATOM 782 N ASN A 53 -14.108 2.588 -9.467 1.00 0.00 N ATOM 783 CA ASN A 53 -14.591 2.924 -8.135 1.00 0.00 C ATOM 784 C ASN A 53 -13.735 2.113 -7.162 1.00 0.00 C ATOM 785 O ASN A 53 -12.920 1.300 -7.619 1.00 0.00 O ATOM 786 CB ASN A 53 -16.082 2.546 -7.996 1.00 0.00 C ATOM 787 CG ASN A 53 -16.752 3.159 -6.771 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.717 2.609 -5.677 1.00 0.00 O ATOM 789 ND2 ASN A 53 -17.379 4.289 -6.952 1.00 0.00 N ATOM 0 H ASN A 53 -14.382 1.659 -9.787 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.513 3.993 -7.935 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.615 2.867 -8.891 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.170 1.461 -7.944 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.857 4.738 -6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.391 4.724 -7.875 1.00 0.00 H new ATOM 796 N ARG A 54 -13.874 2.298 -5.859 1.00 0.00 N ATOM 797 CA ARG A 54 -13.040 1.528 -4.958 1.00 0.00 C ATOM 798 C ARG A 54 -13.540 0.099 -4.830 1.00 0.00 C ATOM 799 O ARG A 54 -14.633 -0.167 -4.325 1.00 0.00 O ATOM 800 CB ARG A 54 -12.764 2.179 -3.570 1.00 0.00 C ATOM 801 CG ARG A 54 -13.888 2.200 -2.533 1.00 0.00 C ATOM 802 CD ARG A 54 -15.054 3.053 -2.942 1.00 0.00 C ATOM 803 NE ARG A 54 -16.056 3.122 -1.883 1.00 0.00 N ATOM 804 CZ ARG A 54 -17.359 3.338 -2.080 1.00 0.00 C ATOM 805 NH1 ARG A 54 -17.855 3.331 -3.306 1.00 0.00 N ATOM 806 NH2 ARG A 54 -18.167 3.512 -1.046 1.00 0.00 N ATOM 0 H ARG A 54 -14.527 2.946 -5.418 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.060 1.516 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.914 1.662 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.455 3.210 -3.744 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.234 1.181 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.493 2.566 -1.586 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.706 4.058 -3.183 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.505 2.647 -3.847 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.738 2.996 -0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.242 3.160 -4.103 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.851 3.496 -3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.795 3.481 -0.097 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.162 3.677 -1.198 1.00 0.00 H new ATOM 820 N THR A 55 -12.765 -0.789 -5.358 1.00 0.00 N ATOM 821 CA THR A 55 -13.054 -2.189 -5.319 1.00 0.00 C ATOM 822 C THR A 55 -11.803 -2.965 -4.901 1.00 0.00 C ATOM 823 O THR A 55 -11.890 -4.106 -4.461 1.00 0.00 O ATOM 824 CB THR A 55 -13.586 -2.689 -6.703 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.922 -4.098 -6.665 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.567 -2.434 -7.814 1.00 0.00 C ATOM 0 H THR A 55 -11.895 -0.560 -5.839 1.00 0.00 H new ATOM 0 HA THR A 55 -13.838 -2.365 -4.582 1.00 0.00 H new ATOM 0 HB THR A 55 -14.491 -2.121 -6.918 1.00 0.00 H new ATOM 0 HG1 THR A 55 -14.445 -4.288 -5.858 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.966 -2.792 -8.763 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.366 -1.365 -7.885 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.641 -2.963 -7.587 1.00 0.00 H new ATOM 834 N VAL A 56 -10.660 -2.319 -5.006 1.00 0.00 N ATOM 835 CA VAL A 56 -9.392 -2.921 -4.679 1.00 0.00 C ATOM 836 C VAL A 56 -8.584 -2.004 -3.798 1.00 0.00 C ATOM 837 O VAL A 56 -8.773 -0.788 -3.833 1.00 0.00 O ATOM 838 CB VAL A 56 -8.558 -3.292 -5.939 1.00 0.00 C ATOM 839 CG1 VAL A 56 -9.071 -4.580 -6.564 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.605 -2.177 -6.980 1.00 0.00 C ATOM 0 H VAL A 56 -10.589 -1.352 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.618 -3.846 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.526 -3.431 -5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.474 -4.821 -7.443 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.994 -5.391 -5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.113 -4.452 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -8.013 -2.465 -7.849 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.638 -2.007 -7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.198 -1.261 -6.551 1.00 0.00 H new ATOM 850 N PRO A 57 -7.696 -2.559 -2.976 1.00 0.00 N ATOM 851 CA PRO A 57 -6.846 -1.771 -2.117 1.00 0.00 C ATOM 852 C PRO A 57 -5.836 -0.952 -2.912 1.00 0.00 C ATOM 853 O PRO A 57 -5.541 -1.240 -4.087 1.00 0.00 O ATOM 854 CB PRO A 57 -6.124 -2.811 -1.255 1.00 0.00 C ATOM 855 CG PRO A 57 -6.182 -4.069 -2.033 1.00 0.00 C ATOM 856 CD PRO A 57 -7.460 -4.005 -2.810 1.00 0.00 C ATOM 0 HA PRO A 57 -7.418 -1.049 -1.535 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.093 -2.515 -1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.610 -2.925 -0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.323 -4.158 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.167 -4.938 -1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.369 -4.509 -3.772 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.279 -4.486 -2.274 1.00 0.00 H new ATOM 864 N THR A 58 -5.357 0.078 -2.315 1.00 0.00 N ATOM 865 CA THR A 58 -4.350 0.900 -2.904 1.00 0.00 C ATOM 866 C THR A 58 -3.423 1.301 -1.806 1.00 0.00 C ATOM 867 O THR A 58 -3.833 1.389 -0.643 1.00 0.00 O ATOM 868 CB THR A 58 -4.967 2.143 -3.582 1.00 0.00 C ATOM 869 OG1 THR A 58 -5.992 1.712 -4.460 1.00 0.00 O ATOM 870 CG2 THR A 58 -3.965 2.899 -4.418 1.00 0.00 C ATOM 0 H THR A 58 -5.655 0.383 -1.388 1.00 0.00 H new ATOM 0 HA THR A 58 -3.819 0.354 -3.683 1.00 0.00 H new ATOM 0 HB THR A 58 -5.333 2.797 -2.791 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.779 1.993 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.449 3.763 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.143 3.234 -3.786 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.578 2.246 -5.201 1.00 0.00 H new ATOM 878 N VAL A 59 -2.210 1.475 -2.140 1.00 0.00 N ATOM 879 CA VAL A 59 -1.234 1.805 -1.192 1.00 0.00 C ATOM 880 C VAL A 59 -0.591 3.142 -1.552 1.00 0.00 C ATOM 881 O VAL A 59 -0.330 3.406 -2.732 1.00 0.00 O ATOM 882 CB VAL A 59 -0.193 0.671 -1.113 1.00 0.00 C ATOM 883 CG1 VAL A 59 0.474 0.412 -2.447 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.815 0.968 -0.085 1.00 0.00 C ATOM 0 H VAL A 59 -1.862 1.391 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.690 1.914 -0.208 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.728 -0.238 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.199 -0.395 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.280 0.128 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.984 1.316 -2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.542 0.157 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.324 1.899 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.327 1.069 0.885 1.00 0.00 H new ATOM 894 N LYS A 60 -0.397 3.985 -0.564 1.00 0.00 N ATOM 895 CA LYS A 60 0.244 5.260 -0.766 1.00 0.00 C ATOM 896 C LYS A 60 1.568 5.245 -0.045 1.00 0.00 C ATOM 897 O LYS A 60 1.626 4.922 1.144 1.00 0.00 O ATOM 898 CB LYS A 60 -0.602 6.424 -0.222 1.00 0.00 C ATOM 899 CG LYS A 60 -0.044 7.789 -0.627 1.00 0.00 C ATOM 900 CD LYS A 60 -0.840 8.962 -0.076 1.00 0.00 C ATOM 901 CE LYS A 60 -0.734 9.085 1.437 1.00 0.00 C ATOM 902 NZ LYS A 60 -1.389 10.317 1.921 1.00 0.00 N ATOM 0 H LYS A 60 -0.679 3.805 0.400 1.00 0.00 H new ATOM 0 HA LYS A 60 0.372 5.412 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.624 6.329 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.646 6.361 0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.987 7.867 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.022 7.855 -1.715 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.486 9.884 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.888 8.848 -0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.194 8.216 1.908 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.315 9.088 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.301 10.374 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.933 11.146 1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -2.396 10.301 1.660 1.00 0.00 H new ATOM 916 N PHE A 61 2.609 5.574 -0.738 1.00 0.00 N ATOM 917 CA PHE A 61 3.923 5.619 -0.144 1.00 0.00 C ATOM 918 C PHE A 61 4.156 6.957 0.502 1.00 0.00 C ATOM 919 O PHE A 61 3.388 7.898 0.286 1.00 0.00 O ATOM 920 CB PHE A 61 4.997 5.391 -1.188 1.00 0.00 C ATOM 921 CG PHE A 61 4.980 4.044 -1.807 1.00 0.00 C ATOM 922 CD1 PHE A 61 4.240 3.809 -2.945 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.720 3.012 -1.261 1.00 0.00 C ATOM 924 CE1 PHE A 61 4.234 2.576 -3.526 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.722 1.774 -1.841 1.00 0.00 C ATOM 926 CZ PHE A 61 4.978 1.555 -2.978 1.00 0.00 C ATOM 0 H PHE A 61 2.583 5.820 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 61 3.975 4.829 0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.886 6.139 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.972 5.553 -0.729 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.660 4.609 -3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.302 3.185 -0.368 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.647 2.400 -4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.304 0.973 -1.410 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.978 0.580 -3.442 1.00 0.00 H new ATOM 936 N ALA A 62 5.230 7.051 1.261 1.00 0.00 N ATOM 937 CA ALA A 62 5.627 8.292 1.927 1.00 0.00 C ATOM 938 C ALA A 62 5.900 9.400 0.926 1.00 0.00 C ATOM 939 O ALA A 62 5.754 10.587 1.236 1.00 0.00 O ATOM 940 CB ALA A 62 6.864 8.060 2.757 1.00 0.00 C ATOM 0 H ALA A 62 5.860 6.269 1.439 1.00 0.00 H new ATOM 0 HA ALA A 62 4.800 8.601 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.152 8.989 3.249 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.659 7.299 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.677 7.724 2.113 1.00 0.00 H new ATOM 946 N ASP A 63 6.303 9.017 -0.280 1.00 0.00 N ATOM 947 CA ASP A 63 6.612 9.985 -1.322 1.00 0.00 C ATOM 948 C ASP A 63 5.329 10.577 -1.906 1.00 0.00 C ATOM 949 O ASP A 63 5.361 11.630 -2.548 1.00 0.00 O ATOM 950 CB ASP A 63 7.477 9.378 -2.447 1.00 0.00 C ATOM 951 CG ASP A 63 6.731 8.404 -3.330 1.00 0.00 C ATOM 952 OD1 ASP A 63 6.089 8.834 -4.299 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.772 7.204 -3.090 1.00 0.00 O ATOM 0 H ASP A 63 6.423 8.043 -0.559 1.00 0.00 H new ATOM 0 HA ASP A 63 7.193 10.780 -0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.872 10.185 -3.064 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.332 8.869 -2.001 1.00 0.00 H new ATOM 958 N GLY A 64 4.210 9.912 -1.656 1.00 0.00 N ATOM 959 CA GLY A 64 2.933 10.389 -2.127 1.00 0.00 C ATOM 960 C GLY A 64 2.321 9.545 -3.233 1.00 0.00 C ATOM 961 O GLY A 64 1.111 9.617 -3.459 1.00 0.00 O ATOM 0 H GLY A 64 4.168 9.040 -1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.239 10.425 -1.287 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.050 11.411 -2.488 1.00 0.00 H new ATOM 965 N SER A 65 3.122 8.741 -3.909 1.00 0.00 N ATOM 966 CA SER A 65 2.616 7.935 -5.018 1.00 0.00 C ATOM 967 C SER A 65 1.766 6.751 -4.546 1.00 0.00 C ATOM 968 O SER A 65 1.927 6.253 -3.414 1.00 0.00 O ATOM 969 CB SER A 65 3.759 7.458 -5.909 1.00 0.00 C ATOM 970 OG SER A 65 4.732 6.758 -5.154 1.00 0.00 O ATOM 0 H SER A 65 4.117 8.625 -3.716 1.00 0.00 H new ATOM 0 HA SER A 65 1.962 8.581 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.367 6.811 -6.694 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.222 8.313 -6.402 1.00 0.00 H new ATOM 0 HG SER A 65 5.423 7.383 -4.851 1.00 0.00 H new ATOM 976 N THR A 66 0.863 6.326 -5.400 1.00 0.00 N ATOM 977 CA THR A 66 0.013 5.206 -5.131 1.00 0.00 C ATOM 978 C THR A 66 0.239 4.092 -6.139 1.00 0.00 C ATOM 979 O THR A 66 0.713 4.338 -7.258 1.00 0.00 O ATOM 980 CB THR A 66 -1.481 5.617 -5.177 1.00 0.00 C ATOM 981 OG1 THR A 66 -1.754 6.452 -6.330 1.00 0.00 O ATOM 982 CG2 THR A 66 -1.913 6.312 -3.908 1.00 0.00 C ATOM 0 H THR A 66 0.702 6.759 -6.310 1.00 0.00 H new ATOM 0 HA THR A 66 0.264 4.850 -4.132 1.00 0.00 H new ATOM 0 HB THR A 66 -2.063 4.700 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.703 6.697 -6.339 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.966 6.583 -3.982 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.769 5.643 -3.060 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.316 7.213 -3.765 1.00 0.00 H new ATOM 990 N LEU A 67 -0.041 2.887 -5.723 1.00 0.00 N ATOM 991 CA LEU A 67 -0.090 1.743 -6.614 1.00 0.00 C ATOM 992 C LEU A 67 -1.357 0.984 -6.316 1.00 0.00 C ATOM 993 O LEU A 67 -1.612 0.636 -5.146 1.00 0.00 O ATOM 994 CB LEU A 67 1.120 0.780 -6.468 1.00 0.00 C ATOM 995 CG LEU A 67 2.507 1.266 -6.911 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.538 0.166 -6.682 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.496 1.651 -8.381 1.00 0.00 C ATOM 0 H LEU A 67 -0.244 2.662 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.058 2.121 -7.636 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.190 0.494 -5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.892 -0.125 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 67 2.769 2.143 -6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.520 0.517 -6.998 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.568 -0.090 -5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.264 -0.716 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.488 1.993 -8.675 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.218 0.785 -8.982 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.774 2.452 -8.542 1.00 0.00 H new ATOM 1009 N THR A 68 -2.181 0.799 -7.320 1.00 0.00 N ATOM 1010 CA THR A 68 -3.375 0.009 -7.186 1.00 0.00 C ATOM 1011 C THR A 68 -2.940 -1.450 -6.914 1.00 0.00 C ATOM 1012 O THR A 68 -2.026 -1.930 -7.581 1.00 0.00 O ATOM 1013 CB THR A 68 -4.199 0.103 -8.489 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.344 1.496 -8.855 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.587 -0.494 -8.299 1.00 0.00 C ATOM 0 H THR A 68 -2.040 1.193 -8.250 1.00 0.00 H new ATOM 0 HA THR A 68 -3.998 0.368 -6.366 1.00 0.00 H new ATOM 0 HB THR A 68 -3.678 -0.452 -9.269 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.069 1.898 -8.332 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.147 -0.416 -9.231 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.496 -1.543 -8.017 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.112 0.049 -7.513 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.649 -2.127 -5.979 1.00 0.00 N ATOM 1024 CA ASN A 69 -3.314 -3.475 -5.389 1.00 0.00 C ATOM 1025 C ASN A 69 -2.094 -4.195 -6.000 1.00 0.00 C ATOM 1026 O ASN A 69 -2.176 -4.880 -7.019 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.559 -4.398 -5.333 1.00 0.00 C ATOM 1028 CG ASN A 69 -5.124 -4.796 -6.694 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -5.821 -4.020 -7.334 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -4.909 -6.027 -7.095 1.00 0.00 N ATOM 0 H ASN A 69 -4.510 -1.744 -5.589 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.997 -3.247 -4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.298 -5.303 -4.785 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.341 -3.895 -4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.328 -6.361 -7.963 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.323 -6.650 -6.539 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.932 -3.967 -5.394 1.00 0.00 N ATOM 1038 CA PRO A 70 0.315 -4.566 -5.802 1.00 0.00 C ATOM 1039 C PRO A 70 0.673 -5.773 -4.945 1.00 0.00 C ATOM 1040 O PRO A 70 -0.163 -6.293 -4.184 1.00 0.00 O ATOM 1041 CB PRO A 70 1.295 -3.426 -5.545 1.00 0.00 C ATOM 1042 CG PRO A 70 0.718 -2.676 -4.379 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.727 -3.065 -4.257 1.00 0.00 C ATOM 0 HA PRO A 70 0.302 -4.940 -6.826 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.291 -3.805 -5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.391 -2.783 -6.420 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.258 -2.918 -3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.813 -1.601 -4.531 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.931 -3.561 -3.308 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.383 -2.196 -4.310 1.00 0.00 H new ATOM 1051 N SER A 71 1.872 -6.242 -5.109 1.00 0.00 N ATOM 1052 CA SER A 71 2.400 -7.282 -4.297 1.00 0.00 C ATOM 1053 C SER A 71 3.626 -6.729 -3.543 1.00 0.00 C ATOM 1054 O SER A 71 4.071 -5.601 -3.830 1.00 0.00 O ATOM 1055 CB SER A 71 2.713 -8.523 -5.160 1.00 0.00 C ATOM 1056 OG SER A 71 3.253 -9.593 -4.391 1.00 0.00 O ATOM 0 H SER A 71 2.517 -5.904 -5.823 1.00 0.00 H new ATOM 0 HA SER A 71 1.675 -7.614 -3.554 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.801 -8.858 -5.655 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.419 -8.249 -5.944 1.00 0.00 H new ATOM 0 HG SER A 71 3.434 -10.358 -4.977 1.00 0.00 H new ATOM 1062 N ALA A 72 4.155 -7.510 -2.613 1.00 0.00 N ATOM 1063 CA ALA A 72 5.249 -7.103 -1.722 1.00 0.00 C ATOM 1064 C ALA A 72 6.469 -6.577 -2.453 1.00 0.00 C ATOM 1065 O ALA A 72 6.937 -5.502 -2.147 1.00 0.00 O ATOM 1066 CB ALA A 72 5.633 -8.254 -0.824 1.00 0.00 C ATOM 0 H ALA A 72 3.835 -8.464 -2.448 1.00 0.00 H new ATOM 0 HA ALA A 72 4.872 -6.270 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.445 -7.946 -0.165 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.772 -8.551 -0.225 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.959 -9.097 -1.433 1.00 0.00 H new ATOM 1072 N ASP A 73 6.958 -7.293 -3.431 1.00 0.00 N ATOM 1073 CA ASP A 73 8.192 -6.883 -4.105 1.00 0.00 C ATOM 1074 C ASP A 73 8.002 -5.665 -4.988 1.00 0.00 C ATOM 1075 O ASP A 73 8.913 -4.852 -5.124 1.00 0.00 O ATOM 1076 CB ASP A 73 8.919 -8.041 -4.816 1.00 0.00 C ATOM 1077 CG ASP A 73 9.501 -9.053 -3.836 1.00 0.00 C ATOM 1078 OD1 ASP A 73 10.655 -8.858 -3.372 1.00 0.00 O ATOM 1079 OD2 ASP A 73 8.821 -10.060 -3.515 1.00 0.00 O ATOM 0 H ASP A 73 6.539 -8.153 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 73 8.869 -6.572 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.223 -8.547 -5.485 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.720 -7.637 -5.435 1.00 0.00 H new ATOM 1084 N GLU A 74 6.798 -5.509 -5.535 1.00 0.00 N ATOM 1085 CA GLU A 74 6.444 -4.315 -6.314 1.00 0.00 C ATOM 1086 C GLU A 74 6.554 -3.072 -5.453 1.00 0.00 C ATOM 1087 O GLU A 74 7.076 -2.034 -5.885 1.00 0.00 O ATOM 1088 CB GLU A 74 5.016 -4.401 -6.847 1.00 0.00 C ATOM 1089 CG GLU A 74 4.806 -5.417 -7.936 1.00 0.00 C ATOM 1090 CD GLU A 74 5.625 -5.120 -9.155 1.00 0.00 C ATOM 1091 OE1 GLU A 74 5.290 -4.163 -9.892 1.00 0.00 O ATOM 1092 OE2 GLU A 74 6.597 -5.854 -9.427 1.00 0.00 O ATOM 0 H GLU A 74 6.047 -6.194 -5.455 1.00 0.00 H new ATOM 0 HA GLU A 74 7.139 -4.260 -7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.348 -4.635 -6.018 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.725 -3.421 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.063 -6.407 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.751 -5.443 -8.207 1.00 0.00 H new ATOM 1099 N VAL A 75 6.059 -3.174 -4.239 1.00 0.00 N ATOM 1100 CA VAL A 75 6.102 -2.064 -3.332 1.00 0.00 C ATOM 1101 C VAL A 75 7.468 -1.914 -2.662 1.00 0.00 C ATOM 1102 O VAL A 75 7.887 -0.794 -2.358 1.00 0.00 O ATOM 1103 CB VAL A 75 4.933 -2.044 -2.308 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.638 -1.717 -3.012 1.00 0.00 C ATOM 1105 CG2 VAL A 75 4.758 -3.371 -1.618 1.00 0.00 C ATOM 0 H VAL A 75 5.624 -4.017 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 75 5.953 -1.180 -3.952 1.00 0.00 H new ATOM 0 HB VAL A 75 5.181 -1.288 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.823 -1.705 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.718 -0.738 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.437 -2.472 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.930 -3.308 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.545 -4.141 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.672 -3.626 -1.082 1.00 0.00 H new ATOM 1115 N LYS A 76 8.176 -3.036 -2.466 1.00 0.00 N ATOM 1116 CA LYS A 76 9.547 -3.015 -1.932 1.00 0.00 C ATOM 1117 C LYS A 76 10.445 -2.225 -2.843 1.00 0.00 C ATOM 1118 O LYS A 76 11.255 -1.447 -2.375 1.00 0.00 O ATOM 1119 CB LYS A 76 10.121 -4.430 -1.757 1.00 0.00 C ATOM 1120 CG LYS A 76 9.529 -5.211 -0.595 1.00 0.00 C ATOM 1121 CD LYS A 76 9.865 -6.703 -0.664 1.00 0.00 C ATOM 1122 CE LYS A 76 11.346 -6.995 -0.558 1.00 0.00 C ATOM 1123 NZ LYS A 76 11.614 -8.417 -0.856 1.00 0.00 N ATOM 0 H LYS A 76 7.822 -3.971 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 76 9.502 -2.545 -0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.957 -4.991 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.199 -4.356 -1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.902 -4.800 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.446 -5.085 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.342 -7.222 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.489 -7.109 -1.603 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.898 -6.361 -1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.700 -6.754 0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.591 -8.650 -0.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.953 -9.015 -0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.487 -8.588 -1.874 1.00 0.00 H new ATOM 1137 N ALA A 77 10.256 -2.413 -4.153 1.00 0.00 N ATOM 1138 CA ALA A 77 11.029 -1.725 -5.185 1.00 0.00 C ATOM 1139 C ALA A 77 10.981 -0.209 -5.010 1.00 0.00 C ATOM 1140 O ALA A 77 11.962 0.481 -5.247 1.00 0.00 O ATOM 1141 CB ALA A 77 10.531 -2.119 -6.568 1.00 0.00 C ATOM 0 H ALA A 77 9.556 -3.053 -4.527 1.00 0.00 H new ATOM 0 HA ALA A 77 12.069 -2.034 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.116 -1.599 -7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.639 -3.195 -6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.481 -1.845 -6.668 1.00 0.00 H new ATOM 1147 N LYS A 78 9.839 0.311 -4.591 1.00 0.00 N ATOM 1148 CA LYS A 78 9.743 1.726 -4.329 1.00 0.00 C ATOM 1149 C LYS A 78 10.231 2.057 -2.944 1.00 0.00 C ATOM 1150 O LYS A 78 11.059 2.936 -2.768 1.00 0.00 O ATOM 1151 CB LYS A 78 8.338 2.265 -4.523 1.00 0.00 C ATOM 1152 CG LYS A 78 7.878 2.245 -5.960 1.00 0.00 C ATOM 1153 CD LYS A 78 6.584 3.023 -6.168 1.00 0.00 C ATOM 1154 CE LYS A 78 6.767 4.565 -6.179 1.00 0.00 C ATOM 1155 NZ LYS A 78 7.214 5.160 -4.882 1.00 0.00 N ATOM 0 H LYS A 78 8.983 -0.219 -4.429 1.00 0.00 H new ATOM 0 HA LYS A 78 10.386 2.213 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.646 1.677 -3.920 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.296 3.289 -4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.658 2.667 -6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.733 1.212 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 78 6.135 2.714 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.881 2.757 -5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.494 4.824 -6.949 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.821 5.025 -6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.800 6.108 -4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.902 4.554 -4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.251 5.232 -4.872 1.00 0.00 H new ATOM 1169 N LEU A 79 9.745 1.306 -1.974 1.00 0.00 N ATOM 1170 CA LEU A 79 10.031 1.531 -0.564 1.00 0.00 C ATOM 1171 C LEU A 79 11.537 1.549 -0.259 1.00 0.00 C ATOM 1172 O LEU A 79 12.013 2.407 0.500 1.00 0.00 O ATOM 1173 CB LEU A 79 9.312 0.474 0.280 1.00 0.00 C ATOM 1174 CG LEU A 79 9.484 0.574 1.787 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.977 1.909 2.308 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.777 -0.577 2.474 1.00 0.00 C ATOM 0 H LEU A 79 9.131 0.509 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 79 9.657 2.521 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.247 0.525 0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.659 -0.509 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 79 10.548 0.512 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.112 1.953 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.536 2.719 1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.918 2.014 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.908 -0.493 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.714 -0.546 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.199 -1.521 2.130 1.00 0.00 H new ATOM 1188 N VAL A 80 12.275 0.641 -0.879 1.00 0.00 N ATOM 1189 CA VAL A 80 13.714 0.527 -0.681 1.00 0.00 C ATOM 1190 C VAL A 80 14.420 1.820 -1.142 1.00 0.00 C ATOM 1191 O VAL A 80 15.386 2.268 -0.530 1.00 0.00 O ATOM 1192 CB VAL A 80 14.291 -0.748 -1.420 1.00 0.00 C ATOM 1193 CG1 VAL A 80 14.223 -0.641 -2.939 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.696 -1.079 -0.975 1.00 0.00 C ATOM 0 H VAL A 80 11.893 -0.040 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 80 13.910 0.397 0.383 1.00 0.00 H new ATOM 0 HB VAL A 80 13.639 -1.570 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.634 -1.546 -3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.185 -0.522 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.802 0.222 -3.269 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.049 -1.961 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.354 -0.237 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.701 -1.278 0.097 1.00 0.00 H new ATOM 1204 N LYS A 81 13.877 2.430 -2.189 1.00 0.00 N ATOM 1205 CA LYS A 81 14.424 3.639 -2.771 1.00 0.00 C ATOM 1206 C LYS A 81 13.985 4.890 -2.011 1.00 0.00 C ATOM 1207 O LYS A 81 14.589 5.959 -2.145 1.00 0.00 O ATOM 1208 CB LYS A 81 14.055 3.735 -4.255 1.00 0.00 C ATOM 1209 CG LYS A 81 14.495 2.518 -5.041 1.00 0.00 C ATOM 1210 CD LYS A 81 14.304 2.670 -6.531 1.00 0.00 C ATOM 1211 CE LYS A 81 14.657 1.372 -7.229 1.00 0.00 C ATOM 1212 NZ LYS A 81 14.483 1.456 -8.691 1.00 0.00 N ATOM 0 H LYS A 81 13.037 2.092 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 81 15.509 3.583 -2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.976 3.855 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 81 14.514 4.626 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.547 2.321 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.935 1.649 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.271 2.941 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 81 14.932 3.478 -6.907 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.691 1.110 -7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.032 0.570 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.737 0.545 -9.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.491 1.679 -8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.098 2.203 -9.071 1.00 0.00 H new ATOM 1226 N ILE A 82 12.920 4.767 -1.251 1.00 0.00 N ATOM 1227 CA ILE A 82 12.388 5.880 -0.468 1.00 0.00 C ATOM 1228 C ILE A 82 13.124 5.973 0.858 1.00 0.00 C ATOM 1229 O ILE A 82 13.573 7.053 1.260 1.00 0.00 O ATOM 1230 CB ILE A 82 10.867 5.709 -0.185 1.00 0.00 C ATOM 1231 CG1 ILE A 82 10.088 5.611 -1.494 1.00 0.00 C ATOM 1232 CG2 ILE A 82 10.329 6.867 0.670 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.625 5.306 -1.305 1.00 0.00 C ATOM 0 H ILE A 82 12.393 3.899 -1.153 1.00 0.00 H new ATOM 0 HA ILE A 82 12.532 6.790 -1.050 1.00 0.00 H new ATOM 0 HB ILE A 82 10.732 4.783 0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 82 10.187 6.551 -2.037 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.535 4.835 -2.116 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.264 6.721 0.852 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.859 6.893 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.481 7.809 0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.136 5.251 -2.278 1.00 0.00 H new ATOM 0 HD12 ILE A 82 8.516 4.352 -0.790 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.163 6.094 -0.710 1.00 0.00 H new ATOM 1245 N ALA A 83 13.287 4.824 1.508 1.00 0.00 N ATOM 1246 CA ALA A 83 13.915 4.750 2.824 1.00 0.00 C ATOM 1247 C ALA A 83 15.386 5.123 2.781 1.00 0.00 C ATOM 1248 O ALA A 83 15.951 5.542 3.785 1.00 0.00 O ATOM 1249 CB ALA A 83 13.743 3.367 3.422 1.00 0.00 C ATOM 0 H ALA A 83 12.989 3.921 1.139 1.00 0.00 H new ATOM 0 HA ALA A 83 13.411 5.479 3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.218 3.333 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.681 3.145 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.206 2.628 2.768 1.00 0.00 H new ATOM 1255 N GLY A 84 15.991 4.962 1.640 1.00 0.00 N ATOM 1256 CA GLY A 84 17.376 5.284 1.492 1.00 0.00 C ATOM 1257 C GLY A 84 18.020 4.295 0.600 1.00 0.00 C ATOM 1258 O GLY A 84 17.604 4.146 -0.544 1.00 0.00 O ATOM 0 H GLY A 84 15.542 4.607 0.796 1.00 0.00 H new ATOM 0 HA2 GLY A 84 17.485 6.287 1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 84 17.866 5.285 2.466 1.00 0.00 H new ATOM 1262 N LEU A 85 19.052 3.679 1.126 1.00 0.00 N ATOM 1263 CA LEU A 85 19.740 2.509 0.583 1.00 0.00 C ATOM 1264 C LEU A 85 19.967 2.506 -0.941 1.00 0.00 C ATOM 1265 O LEU A 85 20.994 2.984 -1.416 1.00 0.00 O ATOM 1266 CB LEU A 85 19.058 1.201 1.031 1.00 0.00 C ATOM 1267 CG LEU A 85 18.970 0.889 2.542 1.00 0.00 C ATOM 1268 CD1 LEU A 85 20.322 0.972 3.229 1.00 0.00 C ATOM 1269 CD2 LEU A 85 17.918 1.733 3.257 1.00 0.00 C ATOM 0 H LEU A 85 19.468 3.995 2.002 1.00 0.00 H new ATOM 0 HA LEU A 85 20.741 2.574 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 85 18.043 1.205 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.583 0.374 0.553 1.00 0.00 H new ATOM 0 HG LEU A 85 18.640 -0.147 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.206 0.744 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 85 21.005 0.253 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.726 1.978 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.900 1.472 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 85 18.164 2.789 3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 85 16.938 1.541 2.819 1.00 0.00 H new ATOM 1281 N GLU A 86 18.999 2.006 -1.693 1.00 0.00 N ATOM 1282 CA GLU A 86 19.149 1.824 -3.123 1.00 0.00 C ATOM 1283 C GLU A 86 18.484 2.956 -3.875 1.00 0.00 C ATOM 1284 O GLU A 86 17.279 3.060 -3.870 1.00 0.00 O ATOM 1285 CB GLU A 86 18.544 0.482 -3.552 1.00 0.00 C ATOM 1286 CG GLU A 86 18.756 0.131 -5.024 1.00 0.00 C ATOM 1287 CD GLU A 86 18.149 -1.198 -5.398 1.00 0.00 C ATOM 1288 OE1 GLU A 86 18.610 -2.236 -4.882 1.00 0.00 O ATOM 1289 OE2 GLU A 86 17.188 -1.235 -6.204 1.00 0.00 O ATOM 0 H GLU A 86 18.091 1.717 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 86 20.213 1.826 -3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.975 -0.309 -2.938 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.474 0.498 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.320 0.913 -5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.825 0.111 -5.238 1.00 0.00 H new ATOM 1296 N HIS A 87 19.303 3.798 -4.477 1.00 0.00 N ATOM 1297 CA HIS A 87 18.889 4.947 -5.313 1.00 0.00 C ATOM 1298 C HIS A 87 20.095 5.825 -5.409 1.00 0.00 C ATOM 1299 O HIS A 87 20.491 6.305 -6.472 1.00 0.00 O ATOM 1300 CB HIS A 87 17.761 5.791 -4.667 1.00 0.00 C ATOM 1301 CG HIS A 87 17.091 6.754 -5.612 1.00 0.00 C ATOM 1302 ND1 HIS A 87 17.659 7.926 -6.085 1.00 0.00 N ATOM 1303 CD2 HIS A 87 15.867 6.682 -6.178 1.00 0.00 C ATOM 1304 CE1 HIS A 87 16.777 8.506 -6.899 1.00 0.00 C ATOM 1305 NE2 HIS A 87 15.666 7.789 -6.989 1.00 0.00 N ATOM 0 H HIS A 87 20.317 3.711 -4.404 1.00 0.00 H new ATOM 0 HA HIS A 87 18.516 4.577 -6.268 1.00 0.00 H new ATOM 0 HB2 HIS A 87 17.008 5.118 -4.258 1.00 0.00 H new ATOM 0 HB3 HIS A 87 18.176 6.351 -3.829 1.00 0.00 H new ATOM 0 HD2 HIS A 87 15.155 5.885 -6.023 1.00 0.00 H new ATOM 0 HE1 HIS A 87 16.946 9.438 -7.417 1.00 0.00 H new ATOM 0 HE2 HIS A 87 14.836 8.006 -7.540 1.00 0.00 H new ATOM 1313 N HIS A 88 20.689 6.003 -4.275 1.00 0.00 N ATOM 1314 CA HIS A 88 21.836 6.827 -4.117 1.00 0.00 C ATOM 1315 C HIS A 88 23.048 5.949 -4.066 1.00 0.00 C ATOM 1316 O HIS A 88 23.923 6.086 -4.924 1.00 0.00 O ATOM 1317 CB HIS A 88 21.710 7.698 -2.862 1.00 0.00 C ATOM 1318 CG HIS A 88 20.572 8.675 -2.927 1.00 0.00 C ATOM 1319 ND1 HIS A 88 19.315 8.439 -2.410 1.00 0.00 N ATOM 1320 CD2 HIS A 88 20.515 9.904 -3.480 1.00 0.00 C ATOM 1321 CE1 HIS A 88 18.557 9.498 -2.666 1.00 0.00 C ATOM 1322 NE2 HIS A 88 19.236 10.424 -3.312 1.00 0.00 N ATOM 0 H HIS A 88 20.378 5.564 -3.408 1.00 0.00 H new ATOM 0 HA HIS A 88 21.927 7.509 -4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 88 21.577 7.053 -1.993 1.00 0.00 H new ATOM 0 HB3 HIS A 88 22.641 8.245 -2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 88 21.334 10.405 -3.975 1.00 0.00 H new ATOM 0 HE1 HIS A 88 17.519 9.589 -2.382 1.00 0.00 H new ATOM 0 HE2 HIS A 88 18.895 11.333 -3.624 1.00 0.00 H new TER 1330 HIS A 88