USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 610 hydrogens (32 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 NoAdj-H: A 15 HIS HE2 : A 15 HIS NE2 : A 90 HECFE :(H bumps) USER MOD NoAdj-H: A 90 HEC HAC : A 90 HEC CAC : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 90 HEC HAB : A 90 HEC CAB : A 11 CYS SG :(H bumps) USER MOD Set 1.1: A 74 MET CE :methyl 162:sc= 0 (180deg=-0.0909) USER MOD Set 1.2: A 78 LYS NZ :NH3+ -161:sc= 0.54 (180deg=0.0159) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.00518) USER MOD Set 2.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 24 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0) USER MOD Set 3.2: A 26 HIS : no HE2:sc= 1.05 K(o=2.3,f=-11!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 7 TYR OH : rot 135:sc= 0.11 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A -3 ALA N :NH3+ -121:sc= 0.2 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -34:sc= 0.547 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 59:sc= 0.395 USER MOD Single : A 27 ASN : amide:sc= 0.5 K(o=0.5,f=-2.1!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.234 F(o=-3.2!,f=-0.23) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= 0.266 F(o=-1.8!,f=0.27) USER MOD Single : A 53 MET CE :methyl -169:sc= -1.39 (180deg=-1.74) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 67 TYR OH : rot 84:sc= -0.671 USER MOD Single : A 68 LYS NZ :NH3+ -178:sc= 1.31 (180deg=1.24) USER MOD Single : A 75 SER OG : rot -50:sc= 0.194 USER MOD Single : A 76 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0139) USER MOD Single : A 90 HEC O2A : rot 140:sc= -0.776 USER MOD Single : A 90 HEC O2D : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A -3 0.854 -5.575 -16.648 1.00 10.00 N ATOM 2 CA ALA A -3 1.280 -5.268 -15.264 1.00 10.00 C ATOM 3 C ALA A -3 2.811 -5.225 -15.206 1.00 10.00 C ATOM 4 O ALA A -3 3.430 -5.292 -16.267 1.00 10.00 O ATOM 5 CB ALA A -3 0.685 -6.286 -14.284 1.00 10.00 C ATOM 0 H1 ALA A -3 0.254 -4.804 -17.006 1.00 10.00 H new ATOM 0 H2 ALA A -3 1.692 -5.672 -17.256 1.00 10.00 H new ATOM 0 H3 ALA A -3 0.316 -6.465 -16.656 1.00 10.00 H new ATOM 0 HA ALA A -3 0.905 -4.289 -14.965 1.00 10.00 H new ATOM 0 HB1 ALA A -3 1.007 -6.047 -13.271 1.00 10.00 H new ATOM 0 HB2 ALA A -3 -0.403 -6.249 -14.337 1.00 10.00 H new ATOM 0 HB3 ALA A -3 1.027 -7.287 -14.547 1.00 10.00 H new ATOM 13 N ASP A -2 3.397 -5.150 -14.011 1.00 10.00 N ATOM 14 CA ASP A -2 4.797 -4.772 -13.834 1.00 10.00 C ATOM 15 C ASP A -2 5.321 -5.188 -12.441 1.00 10.00 C ATOM 16 O ASP A -2 6.216 -4.578 -11.859 1.00 10.00 O ATOM 17 CB ASP A -2 4.921 -3.269 -14.151 1.00 10.00 C ATOM 18 CG ASP A -2 3.849 -2.425 -13.478 1.00 10.00 C ATOM 19 OD1 ASP A -2 2.719 -2.395 -14.018 1.00 10.00 O ATOM 20 OD2 ASP A -2 4.173 -1.830 -12.434 1.00 10.00 O ATOM 0 H ASP A -2 2.912 -5.351 -13.137 1.00 10.00 H new ATOM 0 HA ASP A -2 5.445 -5.310 -14.525 1.00 10.00 H new ATOM 0 HB2 ASP A -2 5.903 -2.917 -13.835 1.00 10.00 H new ATOM 0 HB3 ASP A -2 4.863 -3.126 -15.230 1.00 10.00 H new ATOM 25 N LEU A -1 4.832 -6.344 -11.976 1.00 10.00 N ATOM 26 CA LEU A -1 5.259 -7.061 -10.773 1.00 10.00 C ATOM 27 C LEU A -1 6.618 -7.756 -10.961 1.00 10.00 C ATOM 28 O LEU A -1 6.784 -8.945 -10.712 1.00 10.00 O ATOM 29 CB LEU A -1 4.143 -8.005 -10.271 1.00 10.00 C ATOM 30 CG LEU A -1 3.470 -9.035 -11.208 1.00 10.00 C ATOM 31 CD1 LEU A -1 2.633 -8.417 -12.329 1.00 10.00 C ATOM 32 CD2 LEU A -1 4.405 -10.089 -11.806 1.00 10.00 C ATOM 0 H LEU A -1 4.080 -6.833 -12.462 1.00 10.00 H new ATOM 0 HA LEU A -1 5.425 -6.329 -9.982 1.00 10.00 H new ATOM 0 HB2 LEU A -1 4.556 -8.564 -9.431 1.00 10.00 H new ATOM 0 HB3 LEU A -1 3.349 -7.373 -9.874 1.00 10.00 H new ATOM 0 HG LEU A -1 2.802 -9.546 -10.515 1.00 10.00 H new ATOM 0 HD11 LEU A -1 2.198 -9.210 -12.938 1.00 10.00 H new ATOM 0 HD12 LEU A -1 1.836 -7.812 -11.897 1.00 10.00 H new ATOM 0 HD13 LEU A -1 3.268 -7.788 -12.953 1.00 10.00 H new ATOM 0 HD21 LEU A -1 3.834 -10.761 -12.447 1.00 10.00 H new ATOM 0 HD22 LEU A -1 5.179 -9.597 -12.395 1.00 10.00 H new ATOM 0 HD23 LEU A -1 4.869 -10.661 -11.003 1.00 10.00 H new ATOM 44 N GLN A 1 7.598 -6.984 -11.433 1.00 10.00 N ATOM 45 CA GLN A 1 8.992 -7.391 -11.552 1.00 10.00 C ATOM 46 C GLN A 1 9.834 -6.812 -10.407 1.00 10.00 C ATOM 47 O GLN A 1 10.888 -7.354 -10.083 1.00 10.00 O ATOM 48 CB GLN A 1 9.514 -6.940 -12.931 1.00 10.00 C ATOM 49 CG GLN A 1 10.093 -8.089 -13.770 1.00 10.00 C ATOM 50 CD GLN A 1 11.500 -8.512 -13.359 1.00 10.00 C ATOM 51 OE1 GLN A 1 12.366 -7.689 -13.094 1.00 10.00 O ATOM 52 NE2 GLN A 1 11.774 -9.809 -13.356 1.00 10.00 N ATOM 0 H GLN A 1 7.434 -6.029 -11.752 1.00 10.00 H new ATOM 0 HA GLN A 1 9.071 -8.475 -11.476 1.00 10.00 H new ATOM 0 HB2 GLN A 1 8.700 -6.471 -13.484 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.283 -6.180 -12.790 1.00 10.00 H new ATOM 0 HG2 GLN A 1 9.429 -8.950 -13.694 1.00 10.00 H new ATOM 0 HG3 GLN A 1 10.107 -7.789 -14.818 1.00 10.00 H new ATOM 0 HE21 GLN A 1 11.043 -10.485 -13.579 1.00 10.00 H new ATOM 0 HE22 GLN A 1 12.715 -10.131 -13.131 1.00 10.00 H new ATOM 61 N ASP A 2 9.355 -5.717 -9.808 1.00 10.00 N ATOM 62 CA ASP A 2 9.941 -5.111 -8.627 1.00 10.00 C ATOM 63 C ASP A 2 8.847 -4.430 -7.787 1.00 10.00 C ATOM 64 O ASP A 2 8.190 -3.487 -8.230 1.00 10.00 O ATOM 65 CB ASP A 2 11.056 -4.144 -9.052 1.00 10.00 C ATOM 66 CG ASP A 2 11.854 -3.605 -7.875 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.340 -3.692 -6.737 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.957 -3.089 -8.142 1.00 10.00 O ATOM 0 H ASP A 2 8.529 -5.222 -10.145 1.00 10.00 H new ATOM 0 HA ASP A 2 10.394 -5.873 -7.993 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.731 -4.655 -9.738 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.617 -3.310 -9.599 1.00 10.00 H new ATOM 73 N ALA A 3 8.691 -4.881 -6.547 1.00 10.00 N ATOM 74 CA ALA A 3 7.912 -4.222 -5.512 1.00 10.00 C ATOM 75 C ALA A 3 8.145 -2.705 -5.427 1.00 10.00 C ATOM 76 O ALA A 3 7.189 -1.936 -5.291 1.00 10.00 O ATOM 77 CB ALA A 3 8.298 -4.883 -4.202 1.00 10.00 C ATOM 0 H ALA A 3 9.121 -5.748 -6.226 1.00 10.00 H new ATOM 0 HA ALA A 3 6.853 -4.332 -5.744 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.740 -4.425 -3.385 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.065 -5.947 -4.249 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.366 -4.753 -4.030 1.00 10.00 H new ATOM 83 N GLU A 4 9.406 -2.265 -5.532 1.00 10.00 N ATOM 84 CA GLU A 4 9.722 -0.846 -5.597 1.00 10.00 C ATOM 85 C GLU A 4 9.010 -0.195 -6.781 1.00 10.00 C ATOM 86 O GLU A 4 8.338 0.821 -6.621 1.00 10.00 O ATOM 87 CB GLU A 4 11.238 -0.615 -5.629 1.00 10.00 C ATOM 88 CG GLU A 4 11.559 0.893 -5.710 1.00 10.00 C ATOM 89 CD GLU A 4 12.943 1.284 -5.200 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.657 0.399 -4.683 1.00 10.00 O ATOM 91 OE2 GLU A 4 13.248 2.489 -5.315 1.00 10.00 O ATOM 0 H GLU A 4 10.220 -2.878 -5.573 1.00 10.00 H new ATOM 0 HA GLU A 4 9.354 -0.366 -4.690 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.695 -1.042 -4.736 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.671 -1.131 -6.486 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.466 1.214 -6.747 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.809 1.440 -5.139 1.00 10.00 H new ATOM 98 N ALA A 5 9.070 -0.825 -7.957 1.00 10.00 N ATOM 99 CA ALA A 5 8.425 -0.299 -9.150 1.00 10.00 C ATOM 100 C ALA A 5 6.903 -0.339 -9.004 1.00 10.00 C ATOM 101 O ALA A 5 6.232 0.603 -9.409 1.00 10.00 O ATOM 102 CB ALA A 5 8.890 -1.064 -10.388 1.00 10.00 C ATOM 0 H ALA A 5 9.564 -1.706 -8.103 1.00 10.00 H new ATOM 0 HA ALA A 5 8.715 0.744 -9.274 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.398 -0.658 -11.272 1.00 10.00 H new ATOM 0 HB2 ALA A 5 9.970 -0.962 -10.494 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.634 -2.118 -10.282 1.00 10.00 H new ATOM 108 N ILE A 6 6.354 -1.345 -8.319 1.00 10.00 N ATOM 109 CA ILE A 6 4.913 -1.417 -8.111 1.00 10.00 C ATOM 110 C ILE A 6 4.471 -0.234 -7.247 1.00 10.00 C ATOM 111 O ILE A 6 3.594 0.520 -7.668 1.00 10.00 O ATOM 112 CB ILE A 6 4.542 -2.767 -7.465 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.579 -3.929 -8.473 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.185 -2.732 -6.739 1.00 10.00 C ATOM 115 CD1 ILE A 6 3.512 -3.843 -9.572 1.00 10.00 C ATOM 0 H ILE A 6 6.883 -2.112 -7.904 1.00 10.00 H new ATOM 0 HA ILE A 6 4.392 -1.357 -9.066 1.00 10.00 H new ATOM 0 HB ILE A 6 5.311 -2.945 -6.714 1.00 10.00 H new ATOM 0 HG12 ILE A 6 5.564 -3.959 -8.940 1.00 10.00 H new ATOM 0 HG13 ILE A 6 4.454 -4.868 -7.933 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.979 -3.710 -6.305 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.215 -1.983 -5.948 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.399 -2.478 -7.450 1.00 10.00 H new ATOM 0 HD11 ILE A 6 3.607 -4.699 -10.240 1.00 10.00 H new ATOM 0 HD12 ILE A 6 2.521 -3.846 -9.118 1.00 10.00 H new ATOM 0 HD13 ILE A 6 3.648 -2.923 -10.140 1.00 10.00 H new ATOM 127 N TYR A 7 5.100 0.018 -6.091 1.00 10.00 N ATOM 128 CA TYR A 7 4.648 1.168 -5.304 1.00 10.00 C ATOM 129 C TYR A 7 4.985 2.501 -5.988 1.00 10.00 C ATOM 130 O TYR A 7 4.148 3.395 -6.054 1.00 10.00 O ATOM 131 CB TYR A 7 5.056 1.093 -3.821 1.00 10.00 C ATOM 132 CG TYR A 7 6.311 1.849 -3.460 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.280 3.252 -3.325 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.529 1.163 -3.358 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.481 3.975 -3.247 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.725 1.889 -3.258 1.00 10.00 C ATOM 137 CZ TYR A 7 8.705 3.289 -3.236 1.00 10.00 C ATOM 138 OH TYR A 7 9.873 3.985 -3.198 1.00 10.00 O ATOM 0 H TYR A 7 5.873 -0.520 -5.700 1.00 10.00 H new ATOM 0 HA TYR A 7 3.559 1.121 -5.277 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.234 1.475 -3.215 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.192 0.046 -3.551 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.333 3.770 -3.282 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.547 0.083 -3.356 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.463 5.054 -3.196 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.667 1.365 -3.198 1.00 10.00 H new ATOM 0 HH TYR A 7 10.476 3.576 -2.543 1.00 10.00 H new ATOM 148 N ASN A 8 6.188 2.613 -6.553 1.00 10.00 N ATOM 149 CA ASN A 8 6.715 3.812 -7.191 1.00 10.00 C ATOM 150 C ASN A 8 5.982 4.156 -8.498 1.00 10.00 C ATOM 151 O ASN A 8 6.021 5.298 -8.940 1.00 10.00 O ATOM 152 CB ASN A 8 8.219 3.602 -7.393 1.00 10.00 C ATOM 153 CG ASN A 8 8.978 4.849 -7.813 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.673 5.962 -7.409 1.00 10.00 O ATOM 155 ND2 ASN A 8 10.020 4.663 -8.609 1.00 10.00 N ATOM 0 H ASN A 8 6.847 1.835 -6.578 1.00 10.00 H new ATOM 0 HA ASN A 8 6.546 4.678 -6.551 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.649 3.226 -6.464 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.367 2.830 -8.148 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.589 5.459 -8.899 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.254 3.724 -8.932 1.00 10.00 H new ATOM 162 N LYS A 9 5.323 3.184 -9.133 1.00 10.00 N ATOM 163 CA LYS A 9 4.419 3.396 -10.264 1.00 10.00 C ATOM 164 C LYS A 9 2.944 3.571 -9.841 1.00 10.00 C ATOM 165 O LYS A 9 2.185 4.215 -10.565 1.00 10.00 O ATOM 166 CB LYS A 9 4.563 2.215 -11.230 1.00 10.00 C ATOM 167 CG LYS A 9 4.016 2.510 -12.636 1.00 10.00 C ATOM 168 CD LYS A 9 3.262 1.295 -13.203 1.00 10.00 C ATOM 169 CE LYS A 9 1.746 1.498 -13.174 1.00 10.00 C ATOM 170 NZ LYS A 9 1.323 2.443 -14.228 1.00 10.00 N ATOM 0 H LYS A 9 5.406 2.203 -8.867 1.00 10.00 H new ATOM 0 HA LYS A 9 4.702 4.330 -10.749 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.616 1.944 -11.307 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.040 1.352 -10.818 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.348 3.370 -12.597 1.00 10.00 H new ATOM 0 HG3 LYS A 9 4.838 2.775 -13.301 1.00 10.00 H new ATOM 0 HD2 LYS A 9 3.584 1.114 -14.229 1.00 10.00 H new ATOM 0 HD3 LYS A 9 3.520 0.407 -12.627 1.00 10.00 H new ATOM 0 HE2 LYS A 9 1.244 0.541 -13.314 1.00 10.00 H new ATOM 0 HE3 LYS A 9 1.444 1.876 -12.197 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 0.285 2.450 -14.291 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 1.662 3.398 -13.995 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 1.723 2.147 -15.141 1.00 10.00 H new ATOM 184 N ALA A 10 2.513 2.967 -8.723 1.00 10.00 N ATOM 185 CA ALA A 10 1.099 2.881 -8.323 1.00 10.00 C ATOM 186 C ALA A 10 0.780 3.704 -7.068 1.00 10.00 C ATOM 187 O ALA A 10 0.046 4.690 -7.135 1.00 10.00 O ATOM 188 CB ALA A 10 0.692 1.418 -8.129 1.00 10.00 C ATOM 0 H ALA A 10 3.146 2.518 -8.061 1.00 10.00 H new ATOM 0 HA ALA A 10 0.513 3.315 -9.133 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.356 1.368 -7.833 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.832 0.874 -9.063 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.310 0.968 -7.352 1.00 10.00 H new ATOM 194 N CYS A 11 1.356 3.349 -5.917 1.00 10.00 N ATOM 195 CA CYS A 11 1.184 4.054 -4.642 1.00 10.00 C ATOM 196 C CYS A 11 2.011 5.363 -4.619 1.00 10.00 C ATOM 197 O CYS A 11 2.577 5.763 -3.604 1.00 10.00 O ATOM 198 CB CYS A 11 1.522 3.139 -3.474 1.00 10.00 C ATOM 199 SG CYS A 11 1.487 1.351 -3.808 1.00 10.00 S ATOM 0 H CYS A 11 1.973 2.540 -5.843 1.00 10.00 H new ATOM 0 HA CYS A 11 0.137 4.338 -4.538 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.517 3.399 -3.113 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.824 3.348 -2.663 1.00 10.00 H new ATOM 204 N THR A 12 2.070 6.051 -5.761 1.00 10.00 N ATOM 205 CA THR A 12 3.012 7.131 -6.041 1.00 10.00 C ATOM 206 C THR A 12 2.333 8.454 -6.363 1.00 10.00 C ATOM 207 O THR A 12 3.004 9.453 -6.615 1.00 10.00 O ATOM 208 CB THR A 12 3.926 6.703 -7.191 1.00 10.00 C ATOM 209 OG1 THR A 12 5.000 7.603 -7.274 1.00 10.00 O ATOM 210 CG2 THR A 12 3.190 6.688 -8.537 1.00 10.00 C ATOM 0 H THR A 12 1.441 5.863 -6.542 1.00 10.00 H new ATOM 0 HA THR A 12 3.592 7.307 -5.135 1.00 10.00 H new ATOM 0 HB THR A 12 4.273 5.690 -6.986 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.696 8.500 -7.021 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.877 6.378 -9.324 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.356 5.988 -8.488 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.813 7.687 -8.757 1.00 10.00 H new ATOM 218 N VAL A 13 1.004 8.443 -6.374 1.00 10.00 N ATOM 219 CA VAL A 13 0.173 9.547 -6.820 1.00 10.00 C ATOM 220 C VAL A 13 -0.447 10.228 -5.594 1.00 10.00 C ATOM 221 O VAL A 13 -0.401 11.444 -5.442 1.00 10.00 O ATOM 222 CB VAL A 13 -0.879 8.984 -7.790 1.00 10.00 C ATOM 223 CG1 VAL A 13 -1.572 10.147 -8.488 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.263 8.072 -8.865 1.00 10.00 C ATOM 0 H VAL A 13 0.462 7.637 -6.062 1.00 10.00 H new ATOM 0 HA VAL A 13 0.748 10.307 -7.350 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.579 8.387 -7.205 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.321 9.762 -9.180 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.056 10.781 -7.745 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -0.836 10.731 -9.040 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.050 7.702 -9.523 1.00 10.00 H new ATOM 0 HG22 VAL A 13 0.463 8.637 -9.450 1.00 10.00 H new ATOM 0 HG23 VAL A 13 0.235 7.229 -8.385 1.00 10.00 H new ATOM 234 N CYS A 14 -0.979 9.402 -4.693 1.00 10.00 N ATOM 235 CA CYS A 14 -1.531 9.792 -3.407 1.00 10.00 C ATOM 236 C CYS A 14 -0.453 9.826 -2.318 1.00 10.00 C ATOM 237 O CYS A 14 -0.137 10.878 -1.763 1.00 10.00 O ATOM 238 CB CYS A 14 -2.608 8.797 -3.074 1.00 10.00 C ATOM 239 SG CYS A 14 -4.193 9.250 -3.831 1.00 10.00 S ATOM 0 H CYS A 14 -1.037 8.396 -4.853 1.00 10.00 H new ATOM 0 HA CYS A 14 -1.939 10.801 -3.459 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.309 7.807 -3.419 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -2.725 8.735 -1.992 1.00 10.00 H new ATOM 244 N HIS A 15 0.121 8.662 -2.010 1.00 10.00 N ATOM 245 CA HIS A 15 0.872 8.433 -0.779 1.00 10.00 C ATOM 246 C HIS A 15 2.238 9.133 -0.771 1.00 10.00 C ATOM 247 O HIS A 15 2.762 9.468 0.293 1.00 10.00 O ATOM 248 CB HIS A 15 1.052 6.921 -0.627 1.00 10.00 C ATOM 249 CG HIS A 15 -0.187 6.201 -0.180 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.500 5.965 1.131 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.113 5.567 -0.963 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.562 5.135 1.133 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.016 4.913 -0.111 1.00 10.00 N ATOM 0 H HIS A 15 0.076 7.843 -2.617 1.00 10.00 H new ATOM 0 HA HIS A 15 0.314 8.857 0.056 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.377 6.506 -1.581 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.850 6.731 0.091 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -0.022 6.344 1.949 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.143 5.570 -2.043 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.994 4.703 2.024 1.00 10.00 H new ATOM 261 N SER A 16 2.783 9.375 -1.967 1.00 10.00 N ATOM 262 CA SER A 16 4.088 9.996 -2.180 1.00 10.00 C ATOM 263 C SER A 16 4.178 11.347 -1.467 1.00 10.00 C ATOM 264 O SER A 16 5.108 11.598 -0.698 1.00 10.00 O ATOM 265 CB SER A 16 4.353 10.125 -3.685 1.00 10.00 C ATOM 266 OG SER A 16 5.738 10.279 -3.919 1.00 10.00 O ATOM 0 H SER A 16 2.311 9.136 -2.839 1.00 10.00 H new ATOM 0 HA SER A 16 4.862 9.362 -1.748 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.984 9.241 -4.205 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.810 10.981 -4.086 1.00 10.00 H new ATOM 0 HG SER A 16 5.900 10.359 -4.882 1.00 10.00 H new ATOM 272 N MET A 17 3.163 12.191 -1.701 1.00 10.00 N ATOM 273 CA MET A 17 3.049 13.514 -1.099 1.00 10.00 C ATOM 274 C MET A 17 1.975 13.573 0.004 1.00 10.00 C ATOM 275 O MET A 17 2.018 14.466 0.846 1.00 10.00 O ATOM 276 CB MET A 17 2.788 14.543 -2.213 1.00 10.00 C ATOM 277 CG MET A 17 3.598 15.824 -1.973 1.00 10.00 C ATOM 278 SD MET A 17 5.379 15.663 -2.272 1.00 10.00 S ATOM 279 CE MET A 17 5.944 17.283 -1.727 1.00 10.00 C ATOM 0 H MET A 17 2.389 11.964 -2.325 1.00 10.00 H new ATOM 0 HA MET A 17 3.987 13.752 -0.598 1.00 10.00 H new ATOM 0 HB2 MET A 17 3.054 14.115 -3.179 1.00 10.00 H new ATOM 0 HB3 MET A 17 1.725 14.782 -2.252 1.00 10.00 H new ATOM 0 HG2 MET A 17 3.205 16.612 -2.616 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.444 16.147 -0.943 1.00 10.00 H new ATOM 0 HE1 MET A 17 7.025 17.350 -1.845 1.00 10.00 H new ATOM 0 HE2 MET A 17 5.465 18.056 -2.327 1.00 10.00 H new ATOM 0 HE3 MET A 17 5.684 17.425 -0.678 1.00 10.00 H new ATOM 289 N GLY A 18 1.013 12.641 0.001 1.00 10.00 N ATOM 290 CA GLY A 18 -0.116 12.622 0.934 1.00 10.00 C ATOM 291 C GLY A 18 -1.348 13.349 0.375 1.00 10.00 C ATOM 292 O GLY A 18 -2.000 14.124 1.072 1.00 10.00 O ATOM 0 H GLY A 18 0.999 11.866 -0.662 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.379 11.589 1.161 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.183 13.089 1.872 1.00 10.00 H new ATOM 296 N VAL A 19 -1.683 13.086 -0.892 1.00 10.00 N ATOM 297 CA VAL A 19 -2.854 13.634 -1.570 1.00 10.00 C ATOM 298 C VAL A 19 -4.072 12.745 -1.282 1.00 10.00 C ATOM 299 O VAL A 19 -3.942 11.614 -0.815 1.00 10.00 O ATOM 300 CB VAL A 19 -2.557 13.809 -3.076 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.734 14.396 -3.867 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.337 14.715 -3.280 1.00 10.00 C ATOM 0 H VAL A 19 -1.130 12.469 -1.487 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.091 14.627 -1.189 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.366 12.806 -3.457 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.456 14.491 -4.917 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.597 13.736 -3.779 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.987 15.378 -3.468 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.142 14.828 -4.346 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.533 15.694 -2.842 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.468 14.269 -2.797 1.00 10.00 H new ATOM 312 N ALA A 20 -5.273 13.295 -1.469 1.00 10.00 N ATOM 313 CA ALA A 20 -6.548 12.645 -1.157 1.00 10.00 C ATOM 314 C ALA A 20 -6.688 12.244 0.325 1.00 10.00 C ATOM 315 O ALA A 20 -7.533 11.423 0.667 1.00 10.00 O ATOM 316 CB ALA A 20 -6.773 11.460 -2.104 1.00 10.00 C ATOM 0 H ALA A 20 -5.389 14.233 -1.853 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.337 13.379 -1.320 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.723 10.980 -1.867 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.793 11.816 -3.134 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -5.963 10.740 -1.985 1.00 10.00 H new ATOM 322 N GLY A 21 -5.856 12.814 1.202 1.00 10.00 N ATOM 323 CA GLY A 21 -5.769 12.440 2.612 1.00 10.00 C ATOM 324 C GLY A 21 -5.001 11.133 2.850 1.00 10.00 C ATOM 325 O GLY A 21 -5.134 10.528 3.909 1.00 10.00 O ATOM 0 H GLY A 21 -5.213 13.562 0.944 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.283 13.244 3.164 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.776 12.340 3.016 1.00 10.00 H new ATOM 329 N ALA A 22 -4.196 10.680 1.882 1.00 10.00 N ATOM 330 CA ALA A 22 -3.475 9.418 1.993 1.00 10.00 C ATOM 331 C ALA A 22 -2.390 9.443 3.089 1.00 10.00 C ATOM 332 O ALA A 22 -1.715 10.459 3.266 1.00 10.00 O ATOM 333 CB ALA A 22 -2.887 9.069 0.624 1.00 10.00 C ATOM 0 H ALA A 22 -4.030 11.178 1.007 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.177 8.644 2.301 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.344 8.126 0.691 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.692 8.973 -0.104 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.205 9.859 0.309 1.00 10.00 H new ATOM 339 N PRO A 23 -2.187 8.322 3.804 1.00 10.00 N ATOM 340 CA PRO A 23 -1.170 8.185 4.840 1.00 10.00 C ATOM 341 C PRO A 23 0.226 8.245 4.218 1.00 10.00 C ATOM 342 O PRO A 23 0.433 7.798 3.083 1.00 10.00 O ATOM 343 CB PRO A 23 -1.431 6.819 5.470 1.00 10.00 C ATOM 344 CG PRO A 23 -1.958 6.024 4.299 1.00 10.00 C ATOM 345 CD PRO A 23 -2.852 7.049 3.603 1.00 10.00 C ATOM 0 HA PRO A 23 -1.217 8.984 5.580 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -0.523 6.381 5.884 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.156 6.877 6.282 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.156 5.673 3.649 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -2.517 5.145 4.620 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -2.960 6.823 2.542 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -3.854 7.055 4.032 1.00 10.00 H new ATOM 353 N LYS A 24 1.188 8.791 4.966 1.00 10.00 N ATOM 354 CA LYS A 24 2.496 9.153 4.422 1.00 10.00 C ATOM 355 C LYS A 24 3.302 7.895 4.055 1.00 10.00 C ATOM 356 O LYS A 24 3.308 6.917 4.810 1.00 10.00 O ATOM 357 CB LYS A 24 3.228 10.061 5.433 1.00 10.00 C ATOM 358 CG LYS A 24 3.997 11.253 4.842 1.00 10.00 C ATOM 359 CD LYS A 24 5.383 10.897 4.291 1.00 10.00 C ATOM 360 CE LYS A 24 6.041 12.168 3.734 1.00 10.00 C ATOM 361 NZ LYS A 24 7.293 11.871 3.007 1.00 10.00 N ATOM 0 H LYS A 24 1.082 8.993 5.960 1.00 10.00 H new ATOM 0 HA LYS A 24 2.374 9.714 3.495 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.495 10.444 6.143 1.00 10.00 H new ATOM 0 HB3 LYS A 24 3.929 9.448 5.999 1.00 10.00 H new ATOM 0 HG2 LYS A 24 3.403 11.693 4.042 1.00 10.00 H new ATOM 0 HG3 LYS A 24 4.110 12.016 5.612 1.00 10.00 H new ATOM 0 HD2 LYS A 24 6.002 10.467 5.078 1.00 10.00 H new ATOM 0 HD3 LYS A 24 5.295 10.144 3.508 1.00 10.00 H new ATOM 0 HE2 LYS A 24 5.345 12.673 3.065 1.00 10.00 H new ATOM 0 HE3 LYS A 24 6.252 12.856 4.553 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 7.855 12.741 2.914 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 7.840 11.160 3.533 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 7.066 11.503 2.061 1.00 10.00 H new ATOM 375 N SER A 25 4.011 7.929 2.915 1.00 10.00 N ATOM 376 CA SER A 25 4.952 6.890 2.462 1.00 10.00 C ATOM 377 C SER A 25 5.787 6.253 3.584 1.00 10.00 C ATOM 378 O SER A 25 6.110 5.072 3.522 1.00 10.00 O ATOM 379 CB SER A 25 5.914 7.477 1.420 1.00 10.00 C ATOM 380 OG SER A 25 5.201 7.819 0.253 1.00 10.00 O ATOM 0 H SER A 25 3.943 8.708 2.260 1.00 10.00 H new ATOM 0 HA SER A 25 4.329 6.101 2.041 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.411 8.358 1.826 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.693 6.753 1.182 1.00 10.00 H new ATOM 0 HG SER A 25 4.503 8.470 0.475 1.00 10.00 H new ATOM 386 N HIS A 26 6.155 7.056 4.582 1.00 10.00 N ATOM 387 CA HIS A 26 6.840 6.643 5.795 1.00 10.00 C ATOM 388 C HIS A 26 6.269 7.462 6.960 1.00 10.00 C ATOM 389 O HIS A 26 6.484 8.668 7.046 1.00 10.00 O ATOM 390 CB HIS A 26 8.362 6.799 5.635 1.00 10.00 C ATOM 391 CG HIS A 26 8.790 7.951 4.756 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.198 7.835 3.447 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.727 9.287 5.052 1.00 10.00 C ATOM 394 CE1 HIS A 26 9.368 9.076 2.963 1.00 10.00 C ATOM 395 NE2 HIS A 26 9.057 9.999 3.892 1.00 10.00 N ATOM 0 H HIS A 26 5.972 8.059 4.560 1.00 10.00 H new ATOM 0 HA HIS A 26 6.672 5.586 6.001 1.00 10.00 H new ATOM 0 HB2 HIS A 26 8.806 6.929 6.622 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.767 5.875 5.222 1.00 10.00 H new ATOM 0 HD1 HIS A 26 9.345 6.964 2.937 1.00 10.00 H new ATOM 0 HD2 HIS A 26 8.469 9.715 6.009 1.00 10.00 H new ATOM 0 HE1 HIS A 26 9.708 9.303 1.963 1.00 10.00 H new ATOM 403 N ASN A 27 5.500 6.805 7.825 1.00 10.00 N ATOM 404 CA ASN A 27 4.996 7.331 9.085 1.00 10.00 C ATOM 405 C ASN A 27 5.204 6.232 10.138 1.00 10.00 C ATOM 406 O ASN A 27 5.454 5.084 9.772 1.00 10.00 O ATOM 407 CB ASN A 27 3.499 7.664 8.924 1.00 10.00 C ATOM 408 CG ASN A 27 3.167 9.144 8.758 1.00 10.00 C ATOM 409 OD1 ASN A 27 3.992 10.017 8.995 1.00 10.00 O ATOM 410 ND2 ASN A 27 1.939 9.466 8.378 1.00 10.00 N ATOM 0 H ASN A 27 5.199 5.845 7.655 1.00 10.00 H new ATOM 0 HA ASN A 27 5.513 8.242 9.386 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.116 7.125 8.057 1.00 10.00 H new ATOM 0 HB3 ASN A 27 2.965 7.286 9.796 1.00 10.00 H new ATOM 0 HD21 ASN A 27 1.676 10.447 8.281 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.257 8.733 8.182 1.00 10.00 H new ATOM 417 N THR A 28 5.063 6.553 11.428 1.00 10.00 N ATOM 418 CA THR A 28 5.063 5.523 12.476 1.00 10.00 C ATOM 419 C THR A 28 3.684 5.359 13.124 1.00 10.00 C ATOM 420 O THR A 28 3.238 4.241 13.354 1.00 10.00 O ATOM 421 CB THR A 28 6.115 5.892 13.530 1.00 10.00 C ATOM 422 OG1 THR A 28 7.375 5.999 12.904 1.00 10.00 O ATOM 423 CG2 THR A 28 6.221 4.847 14.643 1.00 10.00 C ATOM 0 H THR A 28 4.948 7.507 11.771 1.00 10.00 H new ATOM 0 HA THR A 28 5.309 4.564 12.020 1.00 10.00 H new ATOM 0 HB THR A 28 5.807 6.836 13.979 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.053 6.236 13.571 1.00 10.00 H new ATOM 0 HG21 THR A 28 6.979 5.157 15.362 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.259 4.754 15.147 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.500 3.885 14.213 1.00 10.00 H new ATOM 431 N ALA A 29 2.930 6.451 13.288 1.00 10.00 N ATOM 432 CA ALA A 29 1.613 6.414 13.930 1.00 10.00 C ATOM 433 C ALA A 29 0.489 6.003 12.972 1.00 10.00 C ATOM 434 O ALA A 29 -0.596 5.629 13.402 1.00 10.00 O ATOM 435 CB ALA A 29 1.322 7.785 14.525 1.00 10.00 C ATOM 0 H ALA A 29 3.214 7.381 12.981 1.00 10.00 H new ATOM 0 HA ALA A 29 1.643 5.652 14.709 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.344 7.773 15.007 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.086 8.031 15.262 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.327 8.534 13.733 1.00 10.00 H new ATOM 441 N ASP A 30 0.765 6.085 11.672 1.00 10.00 N ATOM 442 CA ASP A 30 -0.125 5.731 10.581 1.00 10.00 C ATOM 443 C ASP A 30 -0.026 4.217 10.284 1.00 10.00 C ATOM 444 O ASP A 30 -0.985 3.569 9.869 1.00 10.00 O ATOM 445 CB ASP A 30 0.365 6.615 9.427 1.00 10.00 C ATOM 446 CG ASP A 30 -0.695 7.171 8.521 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.840 6.689 8.586 1.00 10.00 O ATOM 448 OD2 ASP A 30 -0.279 8.081 7.767 1.00 10.00 O ATOM 0 H ASP A 30 1.669 6.420 11.339 1.00 10.00 H new ATOM 0 HA ASP A 30 -1.182 5.900 10.786 1.00 10.00 H new ATOM 0 HB2 ASP A 30 0.927 7.448 9.849 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.062 6.034 8.823 1.00 10.00 H new ATOM 453 N TRP A 31 1.164 3.657 10.547 1.00 10.00 N ATOM 454 CA TRP A 31 1.530 2.256 10.371 1.00 10.00 C ATOM 455 C TRP A 31 1.301 1.450 11.672 1.00 10.00 C ATOM 456 O TRP A 31 0.798 0.327 11.614 1.00 10.00 O ATOM 457 CB TRP A 31 2.972 2.195 9.825 1.00 10.00 C ATOM 458 CG TRP A 31 3.161 2.868 8.478 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.150 4.207 8.277 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.296 2.299 7.136 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.211 4.516 6.939 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.263 3.375 6.190 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.404 0.994 6.604 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.258 3.180 4.809 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.395 0.790 5.211 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.255 1.870 4.327 1.00 10.00 C ATOM 0 H TRP A 31 1.940 4.210 10.911 1.00 10.00 H new ATOM 0 HA TRP A 31 0.884 1.773 9.638 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.641 2.662 10.548 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.272 1.150 9.741 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.100 4.940 9.068 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.217 5.463 6.559 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.494 0.148 7.270 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.256 4.020 4.131 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.497 -0.211 4.818 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.144 1.687 3.268 1.00 10.00 H new ATOM 477 N GLU A 32 1.583 2.022 12.854 1.00 10.00 N ATOM 478 CA GLU A 32 1.283 1.404 14.154 1.00 10.00 C ATOM 479 C GLU A 32 -0.102 0.709 14.240 1.00 10.00 C ATOM 480 O GLU A 32 -0.161 -0.511 14.401 1.00 10.00 O ATOM 481 CB GLU A 32 1.524 2.447 15.259 1.00 10.00 C ATOM 482 CG GLU A 32 1.069 1.996 16.657 1.00 10.00 C ATOM 483 CD GLU A 32 1.740 0.713 17.133 1.00 10.00 C ATOM 484 OE1 GLU A 32 2.980 0.645 17.010 1.00 10.00 O ATOM 485 OE2 GLU A 32 0.994 -0.161 17.622 1.00 10.00 O ATOM 0 H GLU A 32 2.030 2.935 12.934 1.00 10.00 H new ATOM 0 HA GLU A 32 1.967 0.567 14.296 1.00 10.00 H new ATOM 0 HB2 GLU A 32 2.587 2.685 15.294 1.00 10.00 H new ATOM 0 HB3 GLU A 32 1.000 3.366 14.997 1.00 10.00 H new ATOM 0 HG2 GLU A 32 1.277 2.792 17.372 1.00 10.00 H new ATOM 0 HG3 GLU A 32 -0.011 1.850 16.649 1.00 10.00 H new ATOM 492 N PRO A 33 -1.234 1.420 14.051 1.00 10.00 N ATOM 493 CA PRO A 33 -2.578 0.840 14.130 1.00 10.00 C ATOM 494 C PRO A 33 -2.869 -0.218 13.051 1.00 10.00 C ATOM 495 O PRO A 33 -3.934 -0.837 13.064 1.00 10.00 O ATOM 496 CB PRO A 33 -3.535 2.035 14.010 1.00 10.00 C ATOM 497 CG PRO A 33 -2.737 3.033 13.175 1.00 10.00 C ATOM 498 CD PRO A 33 -1.323 2.828 13.708 1.00 10.00 C ATOM 0 HA PRO A 33 -2.695 0.294 15.066 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.469 1.756 13.522 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.795 2.443 14.987 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.806 2.821 12.108 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -3.084 4.056 13.320 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.579 3.096 12.958 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -1.138 3.456 14.579 1.00 10.00 H new ATOM 506 N ARG A 34 -1.942 -0.432 12.113 1.00 10.00 N ATOM 507 CA ARG A 34 -2.031 -1.408 11.036 1.00 10.00 C ATOM 508 C ARG A 34 -1.244 -2.664 11.455 1.00 10.00 C ATOM 509 O ARG A 34 -1.804 -3.764 11.544 1.00 10.00 O ATOM 510 CB ARG A 34 -1.511 -0.746 9.742 1.00 10.00 C ATOM 511 CG ARG A 34 -2.099 0.659 9.493 1.00 10.00 C ATOM 512 CD ARG A 34 -3.544 0.593 9.000 1.00 10.00 C ATOM 513 NE ARG A 34 -4.185 1.921 9.057 1.00 10.00 N ATOM 514 CZ ARG A 34 -5.499 2.167 9.130 1.00 10.00 C ATOM 515 NH1 ARG A 34 -6.382 1.180 9.033 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.940 3.409 9.246 1.00 10.00 N ATOM 0 H ARG A 34 -1.071 0.098 12.087 1.00 10.00 H new ATOM 0 HA ARG A 34 -3.055 -1.727 10.841 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.425 -0.674 9.791 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.750 -1.387 8.893 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.056 1.239 10.415 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.488 1.183 8.758 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.566 0.219 7.977 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -4.108 -0.113 9.610 1.00 10.00 H new ATOM 0 HE ARG A 34 -3.566 2.731 9.039 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -6.062 0.221 8.901 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -7.380 1.381 9.090 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -5.278 4.184 9.280 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -6.942 3.591 9.301 1.00 10.00 H new ATOM 530 N LEU A 35 0.021 -2.462 11.847 1.00 10.00 N ATOM 531 CA LEU A 35 0.916 -3.484 12.404 1.00 10.00 C ATOM 532 C LEU A 35 0.370 -4.140 13.686 1.00 10.00 C ATOM 533 O LEU A 35 0.805 -5.224 14.069 1.00 10.00 O ATOM 534 CB LEU A 35 2.313 -2.885 12.679 1.00 10.00 C ATOM 535 CG LEU A 35 3.439 -3.499 11.829 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.763 -2.793 12.131 1.00 10.00 C ATOM 537 CD2 LEU A 35 3.621 -4.996 12.081 1.00 10.00 C ATOM 0 H LEU A 35 0.466 -1.546 11.782 1.00 10.00 H new ATOM 0 HA LEU A 35 0.987 -4.269 11.651 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.278 -1.811 12.496 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.553 -3.021 13.733 1.00 10.00 H new ATOM 0 HG LEU A 35 3.151 -3.364 10.786 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.556 -3.233 11.526 1.00 10.00 H new ATOM 0 HD12 LEU A 35 4.672 -1.733 11.895 1.00 10.00 H new ATOM 0 HD13 LEU A 35 5.005 -2.910 13.187 1.00 10.00 H new ATOM 0 HD21 LEU A 35 4.428 -5.375 11.454 1.00 10.00 H new ATOM 0 HD22 LEU A 35 3.868 -5.161 13.130 1.00 10.00 H new ATOM 0 HD23 LEU A 35 2.697 -5.521 11.839 1.00 10.00 H new ATOM 549 N ALA A 36 -0.583 -3.482 14.353 1.00 10.00 N ATOM 550 CA ALA A 36 -1.185 -3.920 15.601 1.00 10.00 C ATOM 551 C ALA A 36 -2.193 -5.029 15.318 1.00 10.00 C ATOM 552 O ALA A 36 -2.406 -5.909 16.146 1.00 10.00 O ATOM 553 CB ALA A 36 -1.869 -2.722 16.265 1.00 10.00 C ATOM 0 H ALA A 36 -0.966 -2.597 14.020 1.00 10.00 H new ATOM 0 HA ALA A 36 -0.422 -4.313 16.273 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -2.325 -3.038 17.203 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -1.130 -1.945 16.464 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -2.639 -2.329 15.601 1.00 10.00 H new ATOM 559 N LYS A 37 -2.813 -4.978 14.133 1.00 10.00 N ATOM 560 CA LYS A 37 -3.698 -6.032 13.679 1.00 10.00 C ATOM 561 C LYS A 37 -2.878 -7.172 13.066 1.00 10.00 C ATOM 562 O LYS A 37 -3.040 -8.332 13.432 1.00 10.00 O ATOM 563 CB LYS A 37 -4.742 -5.466 12.708 1.00 10.00 C ATOM 564 CG LYS A 37 -5.537 -4.336 13.369 1.00 10.00 C ATOM 565 CD LYS A 37 -6.703 -3.895 12.476 1.00 10.00 C ATOM 566 CE LYS A 37 -7.161 -2.491 12.900 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.615 -2.306 12.710 1.00 10.00 N ATOM 0 H LYS A 37 -2.710 -4.207 13.474 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.245 -6.446 14.526 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -4.248 -5.093 11.811 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -5.420 -6.259 12.392 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.918 -4.670 14.334 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -4.880 -3.488 13.562 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -6.394 -3.890 11.431 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -7.529 -4.601 12.561 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -6.908 -2.327 13.947 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.621 -1.742 12.321 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -8.885 -1.347 13.007 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.853 -2.437 11.706 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -9.131 -3.004 13.283 1.00 10.00 H new ATOM 581 N GLY A 38 -2.000 -6.829 12.118 1.00 10.00 N ATOM 582 CA GLY A 38 -1.100 -7.781 11.471 1.00 10.00 C ATOM 583 C GLY A 38 -0.431 -7.166 10.238 1.00 10.00 C ATOM 584 O GLY A 38 0.183 -6.111 10.334 1.00 10.00 O ATOM 0 H GLY A 38 -1.895 -5.873 11.777 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -0.336 -8.102 12.180 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -1.658 -8.671 11.179 1.00 10.00 H new ATOM 588 N VAL A 39 -0.553 -7.815 9.077 1.00 10.00 N ATOM 589 CA VAL A 39 0.063 -7.352 7.828 1.00 10.00 C ATOM 590 C VAL A 39 -0.891 -7.607 6.666 1.00 10.00 C ATOM 591 O VAL A 39 -1.393 -6.686 6.015 1.00 10.00 O ATOM 592 CB VAL A 39 1.420 -8.055 7.590 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.249 -7.238 6.594 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.245 -8.260 8.868 1.00 10.00 C ATOM 0 H VAL A 39 -1.084 -8.680 8.975 1.00 10.00 H new ATOM 0 HA VAL A 39 0.255 -6.282 7.902 1.00 10.00 H new ATOM 0 HB VAL A 39 1.187 -9.046 7.200 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.206 -7.732 6.425 1.00 10.00 H new ATOM 0 HG12 VAL A 39 1.710 -7.159 5.650 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.422 -6.240 6.997 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.182 -8.759 8.620 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.458 -7.293 9.323 1.00 10.00 H new ATOM 0 HG23 VAL A 39 1.682 -8.875 9.570 1.00 10.00 H new ATOM 604 N ASP A 40 -1.237 -8.879 6.467 1.00 10.00 N ATOM 605 CA ASP A 40 -2.021 -9.346 5.338 1.00 10.00 C ATOM 606 C ASP A 40 -3.520 -8.915 5.427 1.00 10.00 C ATOM 607 O ASP A 40 -4.373 -9.431 4.708 1.00 10.00 O ATOM 608 CB ASP A 40 -1.771 -10.866 5.219 1.00 10.00 C ATOM 609 CG ASP A 40 -0.317 -11.299 5.477 1.00 10.00 C ATOM 610 OD1 ASP A 40 0.601 -10.964 4.691 1.00 10.00 O ATOM 611 OD2 ASP A 40 -0.114 -11.940 6.528 1.00 10.00 O ATOM 0 H ASP A 40 -0.970 -9.627 7.107 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.705 -8.872 4.409 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -2.421 -11.384 5.924 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.061 -11.191 4.220 1.00 10.00 H new ATOM 616 N ASN A 41 -3.838 -7.915 6.272 1.00 10.00 N ATOM 617 CA ASN A 41 -5.145 -7.300 6.495 1.00 10.00 C ATOM 618 C ASN A 41 -5.265 -5.993 5.696 1.00 10.00 C ATOM 619 O ASN A 41 -6.366 -5.478 5.522 1.00 10.00 O ATOM 620 CB ASN A 41 -5.350 -6.933 7.980 1.00 10.00 C ATOM 621 CG ASN A 41 -4.415 -7.602 8.969 1.00 10.00 C ATOM 622 OD1 ASN A 41 -3.778 -6.793 9.796 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -4.263 -8.815 9.016 1.00 10.00 N flip ATOM 0 H ASN A 41 -3.123 -7.487 6.861 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.891 -8.029 6.179 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -5.244 -5.853 8.084 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -6.375 -7.180 8.256 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.767 -9.418 8.366 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -3.632 -9.224 9.706 1.00 10.00 H new ATOM 630 N LEU A 42 -4.130 -5.427 5.264 1.00 10.00 N ATOM 631 CA LEU A 42 -4.077 -4.186 4.501 1.00 10.00 C ATOM 632 C LEU A 42 -3.863 -4.465 3.012 1.00 10.00 C ATOM 633 O LEU A 42 -4.569 -3.890 2.177 1.00 10.00 O ATOM 634 CB LEU A 42 -2.999 -3.273 5.091 1.00 10.00 C ATOM 635 CG LEU A 42 -3.406 -2.551 6.393 1.00 10.00 C ATOM 636 CD1 LEU A 42 -4.809 -1.931 6.354 1.00 10.00 C ATOM 637 CD2 LEU A 42 -3.296 -3.458 7.619 1.00 10.00 C ATOM 0 H LEU A 42 -3.210 -5.831 5.441 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.033 -3.668 4.577 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.106 -3.867 5.285 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -2.729 -2.525 4.346 1.00 10.00 H new ATOM 0 HG LEU A 42 -2.688 -1.736 6.476 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -5.018 -1.443 7.306 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -4.860 -1.196 5.551 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -5.548 -2.713 6.177 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -3.593 -2.904 8.509 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.950 -4.321 7.493 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -2.266 -3.797 7.730 1.00 10.00 H new ATOM 649 N VAL A 43 -2.978 -5.414 2.672 1.00 10.00 N ATOM 650 CA VAL A 43 -2.853 -5.903 1.289 1.00 10.00 C ATOM 651 C VAL A 43 -4.228 -6.277 0.702 1.00 10.00 C ATOM 652 O VAL A 43 -4.522 -6.015 -0.466 1.00 10.00 O ATOM 653 CB VAL A 43 -1.822 -7.047 1.200 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.384 -8.382 1.699 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.281 -7.233 -0.231 1.00 10.00 C ATOM 0 H VAL A 43 -2.340 -5.857 3.333 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.470 -5.094 0.667 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.002 -6.747 1.853 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.618 -9.153 1.615 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.686 -8.283 2.742 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.248 -8.661 1.096 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.559 -8.049 -0.244 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.106 -7.468 -0.904 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.795 -6.314 -0.559 1.00 10.00 H new ATOM 665 N LYS A 44 -5.126 -6.816 1.539 1.00 10.00 N ATOM 666 CA LYS A 44 -6.500 -7.058 1.117 1.00 10.00 C ATOM 667 C LYS A 44 -7.296 -5.791 0.762 1.00 10.00 C ATOM 668 O LYS A 44 -7.982 -5.774 -0.259 1.00 10.00 O ATOM 669 CB LYS A 44 -7.256 -7.987 2.071 1.00 10.00 C ATOM 670 CG LYS A 44 -7.162 -7.494 3.511 1.00 10.00 C ATOM 671 CD LYS A 44 -8.368 -7.914 4.357 1.00 10.00 C ATOM 672 CE LYS A 44 -9.475 -6.869 4.185 1.00 10.00 C ATOM 673 NZ LYS A 44 -10.746 -7.308 4.800 1.00 10.00 N ATOM 0 H LYS A 44 -4.922 -7.088 2.501 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.405 -7.590 0.170 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -8.302 -8.046 1.772 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -6.847 -8.995 2.002 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.251 -7.883 3.966 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -7.081 -6.407 3.515 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -8.724 -8.896 4.047 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -8.084 -7.995 5.406 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -9.159 -5.928 4.635 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -9.632 -6.677 3.124 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -11.470 -6.574 4.662 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -11.061 -8.193 4.353 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -10.603 -7.466 5.818 1.00 10.00 H new ATOM 687 N SER A 45 -7.215 -4.724 1.565 1.00 10.00 N ATOM 688 CA SER A 45 -7.935 -3.481 1.262 1.00 10.00 C ATOM 689 C SER A 45 -7.321 -2.775 0.046 1.00 10.00 C ATOM 690 O SER A 45 -7.981 -2.022 -0.665 1.00 10.00 O ATOM 691 CB SER A 45 -8.002 -2.568 2.491 1.00 10.00 C ATOM 692 OG SER A 45 -9.283 -2.663 3.089 1.00 10.00 O ATOM 0 H SER A 45 -6.663 -4.695 2.422 1.00 10.00 H new ATOM 0 HA SER A 45 -8.962 -3.735 1.000 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.233 -2.852 3.209 1.00 10.00 H new ATOM 0 HB3 SER A 45 -7.801 -1.537 2.201 1.00 10.00 H new ATOM 0 HG SER A 45 -9.321 -2.079 3.875 1.00 10.00 H new ATOM 698 N VAL A 46 -6.051 -3.056 -0.228 1.00 10.00 N ATOM 699 CA VAL A 46 -5.412 -2.661 -1.470 1.00 10.00 C ATOM 700 C VAL A 46 -5.999 -3.406 -2.670 1.00 10.00 C ATOM 701 O VAL A 46 -6.482 -2.782 -3.616 1.00 10.00 O ATOM 702 CB VAL A 46 -3.906 -2.841 -1.286 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.117 -2.982 -2.576 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.403 -1.641 -0.523 1.00 10.00 C ATOM 0 H VAL A 46 -5.438 -3.565 0.409 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.605 -1.613 -1.699 1.00 10.00 H new ATOM 0 HB VAL A 46 -3.754 -3.781 -0.755 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.059 -3.105 -2.344 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -3.472 -3.854 -3.126 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.253 -2.089 -3.185 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.328 -1.731 -0.370 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.614 -0.734 -1.090 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.903 -1.589 0.444 1.00 10.00 H new ATOM 714 N LYS A 47 -6.024 -4.741 -2.617 1.00 10.00 N ATOM 715 CA LYS A 47 -6.609 -5.518 -3.706 1.00 10.00 C ATOM 716 C LYS A 47 -8.098 -5.188 -3.916 1.00 10.00 C ATOM 717 O LYS A 47 -8.579 -5.162 -5.042 1.00 10.00 O ATOM 718 CB LYS A 47 -6.296 -7.010 -3.540 1.00 10.00 C ATOM 719 CG LYS A 47 -7.432 -7.851 -2.929 1.00 10.00 C ATOM 720 CD LYS A 47 -6.902 -8.872 -1.921 1.00 10.00 C ATOM 721 CE LYS A 47 -6.923 -10.317 -2.426 1.00 10.00 C ATOM 722 NZ LYS A 47 -6.443 -11.252 -1.381 1.00 10.00 N ATOM 0 H LYS A 47 -5.653 -5.295 -1.845 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.136 -5.223 -4.643 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -6.044 -7.423 -4.516 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.411 -7.112 -2.912 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.148 -7.193 -2.437 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -7.969 -8.369 -3.724 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.879 -8.606 -1.655 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.496 -8.808 -1.009 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.936 -10.587 -2.723 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.296 -10.405 -3.313 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -6.467 -12.225 -1.748 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -5.468 -11.006 -1.116 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -7.057 -11.183 -0.544 1.00 10.00 H new ATOM 736 N THR A 48 -8.820 -4.900 -2.826 1.00 10.00 N ATOM 737 CA THR A 48 -10.236 -4.518 -2.873 1.00 10.00 C ATOM 738 C THR A 48 -10.432 -3.081 -3.377 1.00 10.00 C ATOM 739 O THR A 48 -11.447 -2.774 -3.994 1.00 10.00 O ATOM 740 CB THR A 48 -10.898 -4.739 -1.495 1.00 10.00 C ATOM 741 OG1 THR A 48 -12.178 -5.299 -1.635 1.00 10.00 O ATOM 742 CG2 THR A 48 -11.105 -3.476 -0.655 1.00 10.00 C ATOM 0 H THR A 48 -8.436 -4.926 -1.882 1.00 10.00 H new ATOM 0 HA THR A 48 -10.732 -5.165 -3.597 1.00 10.00 H new ATOM 0 HB THR A 48 -10.189 -5.392 -0.987 1.00 10.00 H new ATOM 0 HG1 THR A 48 -12.576 -5.431 -0.749 1.00 10.00 H new ATOM 0 HG21 THR A 48 -11.576 -3.742 0.292 1.00 10.00 H new ATOM 0 HG22 THR A 48 -10.141 -3.006 -0.461 1.00 10.00 H new ATOM 0 HG23 THR A 48 -11.746 -2.780 -1.196 1.00 10.00 H new ATOM 750 N GLY A 49 -9.467 -2.193 -3.099 1.00 10.00 N ATOM 751 CA GLY A 49 -9.626 -0.751 -3.255 1.00 10.00 C ATOM 752 C GLY A 49 -10.445 -0.152 -2.114 1.00 10.00 C ATOM 753 O GLY A 49 -11.665 -0.291 -2.068 1.00 10.00 O ATOM 0 H GLY A 49 -8.546 -2.465 -2.756 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -8.645 -0.277 -3.288 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.115 -0.538 -4.206 1.00 10.00 H new ATOM 757 N LEU A 50 -9.780 0.545 -1.191 1.00 10.00 N ATOM 758 CA LEU A 50 -10.468 1.381 -0.212 1.00 10.00 C ATOM 759 C LEU A 50 -11.225 2.521 -0.922 1.00 10.00 C ATOM 760 O LEU A 50 -11.086 2.717 -2.119 1.00 10.00 O ATOM 761 CB LEU A 50 -9.429 1.872 0.807 1.00 10.00 C ATOM 762 CG LEU A 50 -9.963 2.438 2.132 1.00 10.00 C ATOM 763 CD1 LEU A 50 -10.898 1.458 2.853 1.00 10.00 C ATOM 764 CD2 LEU A 50 -8.768 2.733 3.045 1.00 10.00 C ATOM 0 H LEU A 50 -8.764 0.545 -1.103 1.00 10.00 H new ATOM 0 HA LEU A 50 -11.228 0.818 0.329 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -8.763 1.041 1.038 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -8.824 2.643 0.329 1.00 10.00 H new ATOM 0 HG LEU A 50 -10.535 3.338 1.907 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -11.247 1.906 3.783 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -11.753 1.234 2.215 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -10.359 0.537 3.074 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -9.125 3.136 3.993 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -8.214 1.812 3.228 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -8.114 3.461 2.564 1.00 10.00 H new ATOM 776 N ASN A 51 -12.039 3.283 -0.195 1.00 10.00 N ATOM 777 CA ASN A 51 -12.990 4.262 -0.749 1.00 10.00 C ATOM 778 C ASN A 51 -12.365 5.202 -1.783 1.00 10.00 C ATOM 779 O ASN A 51 -12.786 5.280 -2.932 1.00 10.00 O ATOM 780 CB ASN A 51 -13.621 5.096 0.377 1.00 10.00 C ATOM 781 CG ASN A 51 -13.995 4.190 1.530 1.00 10.00 C ATOM 782 OD1 ASN A 51 -13.037 4.010 2.426 1.00 10.00 O flip ATOM 783 ND2 ASN A 51 -15.036 3.552 1.549 1.00 10.00 N flip ATOM 0 H ASN A 51 -12.061 3.240 0.824 1.00 10.00 H new ATOM 0 HA ASN A 51 -13.753 3.678 -1.263 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -12.920 5.860 0.714 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.505 5.615 0.007 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -15.750 3.720 0.841 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -15.191 2.851 2.273 1.00 10.00 H new ATOM 790 N ALA A 52 -11.332 5.913 -1.332 1.00 10.00 N ATOM 791 CA ALA A 52 -10.504 6.794 -2.146 1.00 10.00 C ATOM 792 C ALA A 52 -9.346 6.053 -2.846 1.00 10.00 C ATOM 793 O ALA A 52 -8.381 6.690 -3.270 1.00 10.00 O ATOM 794 CB ALA A 52 -10.006 7.921 -1.238 1.00 10.00 C ATOM 0 H ALA A 52 -11.041 5.889 -0.355 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.099 7.202 -2.963 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.381 8.603 -1.814 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -10.859 8.466 -0.833 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.423 7.498 -0.420 1.00 10.00 H new ATOM 800 N MET A 53 -9.430 4.720 -2.974 1.00 10.00 N ATOM 801 CA MET A 53 -8.478 3.897 -3.736 1.00 10.00 C ATOM 802 C MET A 53 -9.110 3.118 -4.909 1.00 10.00 C ATOM 803 O MET A 53 -10.248 2.665 -4.824 1.00 10.00 O ATOM 804 CB MET A 53 -7.779 2.926 -2.774 1.00 10.00 C ATOM 805 CG MET A 53 -6.388 3.437 -2.412 1.00 10.00 C ATOM 806 SD MET A 53 -5.717 2.777 -0.875 1.00 10.00 S ATOM 807 CE MET A 53 -5.443 1.045 -1.291 1.00 10.00 C ATOM 0 H MET A 53 -10.175 4.174 -2.543 1.00 10.00 H new ATOM 0 HA MET A 53 -7.764 4.583 -4.193 1.00 10.00 H new ATOM 0 HB2 MET A 53 -8.376 2.809 -1.870 1.00 10.00 H new ATOM 0 HB3 MET A 53 -7.702 1.941 -3.235 1.00 10.00 H new ATOM 0 HG2 MET A 53 -5.704 3.194 -3.225 1.00 10.00 H new ATOM 0 HG3 MET A 53 -6.423 4.524 -2.340 1.00 10.00 H new ATOM 0 HE1 MET A 53 -5.218 0.484 -0.384 1.00 10.00 H new ATOM 0 HE2 MET A 53 -6.340 0.637 -1.757 1.00 10.00 H new ATOM 0 HE3 MET A 53 -4.605 0.965 -1.984 1.00 10.00 H new ATOM 817 N PRO A 54 -8.369 2.903 -6.011 1.00 10.00 N ATOM 818 CA PRO A 54 -8.826 2.047 -7.097 1.00 10.00 C ATOM 819 C PRO A 54 -8.755 0.565 -6.680 1.00 10.00 C ATOM 820 O PRO A 54 -7.801 0.160 -6.010 1.00 10.00 O ATOM 821 CB PRO A 54 -7.890 2.360 -8.267 1.00 10.00 C ATOM 822 CG PRO A 54 -6.581 2.738 -7.572 1.00 10.00 C ATOM 823 CD PRO A 54 -7.047 3.441 -6.299 1.00 10.00 C ATOM 0 HA PRO A 54 -9.866 2.228 -7.367 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.764 1.499 -8.924 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -8.271 3.176 -8.881 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.977 1.859 -7.348 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.971 3.394 -8.193 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.360 3.253 -5.474 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -7.087 4.521 -6.441 1.00 10.00 H new ATOM 831 N PRO A 55 -9.738 -0.263 -7.075 1.00 10.00 N ATOM 832 CA PRO A 55 -9.746 -1.688 -6.770 1.00 10.00 C ATOM 833 C PRO A 55 -8.531 -2.360 -7.400 1.00 10.00 C ATOM 834 O PRO A 55 -8.307 -2.210 -8.600 1.00 10.00 O ATOM 835 CB PRO A 55 -11.080 -2.215 -7.308 1.00 10.00 C ATOM 836 CG PRO A 55 -11.393 -1.262 -8.459 1.00 10.00 C ATOM 837 CD PRO A 55 -10.850 0.074 -7.952 1.00 10.00 C ATOM 0 HA PRO A 55 -9.671 -1.900 -5.703 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.997 -3.246 -7.651 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.858 -2.194 -6.545 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -10.906 -1.571 -9.384 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.463 -1.212 -8.663 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.520 0.702 -8.779 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.618 0.631 -7.415 1.00 10.00 H new ATOM 845 N GLY A 56 -7.709 -3.055 -6.602 1.00 10.00 N ATOM 846 CA GLY A 56 -6.519 -3.678 -7.152 1.00 10.00 C ATOM 847 C GLY A 56 -5.323 -2.732 -7.132 1.00 10.00 C ATOM 848 O GLY A 56 -4.343 -2.999 -7.820 1.00 10.00 O ATOM 0 H GLY A 56 -7.848 -3.193 -5.601 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.282 -4.576 -6.581 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.715 -3.994 -8.176 1.00 10.00 H new ATOM 852 N GLY A 57 -5.369 -1.649 -6.348 1.00 10.00 N ATOM 853 CA GLY A 57 -4.223 -0.766 -6.136 1.00 10.00 C ATOM 854 C GLY A 57 -3.591 -0.259 -7.440 1.00 10.00 C ATOM 855 O GLY A 57 -2.374 -0.131 -7.530 1.00 10.00 O ATOM 0 H GLY A 57 -6.207 -1.362 -5.842 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.539 0.089 -5.538 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.467 -1.297 -5.558 1.00 10.00 H new ATOM 859 N MET A 58 -4.431 0.002 -8.448 1.00 10.00 N ATOM 860 CA MET A 58 -4.058 0.400 -9.807 1.00 10.00 C ATOM 861 C MET A 58 -3.316 -0.697 -10.605 1.00 10.00 C ATOM 862 O MET A 58 -2.646 -0.415 -11.595 1.00 10.00 O ATOM 863 CB MET A 58 -3.320 1.753 -9.782 1.00 10.00 C ATOM 864 CG MET A 58 -3.379 2.463 -11.147 1.00 10.00 C ATOM 865 SD MET A 58 -1.821 2.660 -12.052 1.00 10.00 S ATOM 866 CE MET A 58 -2.501 3.174 -13.641 1.00 10.00 C ATOM 0 H MET A 58 -5.442 -0.063 -8.330 1.00 10.00 H new ATOM 0 HA MET A 58 -4.982 0.536 -10.369 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.763 2.394 -9.020 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.279 1.594 -9.500 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.071 1.912 -11.784 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.807 3.454 -10.993 1.00 10.00 H new ATOM 0 HE1 MET A 58 -1.688 3.347 -14.346 1.00 10.00 H new ATOM 0 HE2 MET A 58 -3.155 2.392 -14.027 1.00 10.00 H new ATOM 0 HE3 MET A 58 -3.072 4.094 -13.512 1.00 10.00 H new ATOM 876 N CYS A 59 -3.479 -1.963 -10.211 1.00 10.00 N ATOM 877 CA CYS A 59 -2.903 -3.146 -10.844 1.00 10.00 C ATOM 878 C CYS A 59 -4.010 -4.132 -11.256 1.00 10.00 C ATOM 879 O CYS A 59 -5.157 -3.996 -10.836 1.00 10.00 O ATOM 880 CB CYS A 59 -1.931 -3.778 -9.845 1.00 10.00 C ATOM 881 SG CYS A 59 -0.782 -5.003 -10.502 1.00 10.00 S ATOM 0 H CYS A 59 -4.047 -2.200 -9.398 1.00 10.00 H new ATOM 0 HA CYS A 59 -2.370 -2.875 -11.755 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -1.350 -2.980 -9.383 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -2.514 -4.248 -9.053 1.00 10.00 H new ATOM 886 N THR A 60 -3.667 -5.125 -12.086 1.00 10.00 N ATOM 887 CA THR A 60 -4.582 -6.180 -12.540 1.00 10.00 C ATOM 888 C THR A 60 -4.143 -7.563 -12.036 1.00 10.00 C ATOM 889 O THR A 60 -4.899 -8.232 -11.338 1.00 10.00 O ATOM 890 CB THR A 60 -4.777 -6.106 -14.064 1.00 10.00 C ATOM 891 OG1 THR A 60 -5.669 -7.114 -14.479 1.00 10.00 O ATOM 892 CG2 THR A 60 -3.497 -6.241 -14.895 1.00 10.00 C ATOM 0 H THR A 60 -2.726 -5.219 -12.469 1.00 10.00 H new ATOM 0 HA THR A 60 -5.563 -6.012 -12.096 1.00 10.00 H new ATOM 0 HB THR A 60 -5.164 -5.103 -14.245 1.00 10.00 H new ATOM 0 HG1 THR A 60 -5.792 -7.063 -15.450 1.00 10.00 H new ATOM 0 HG21 THR A 60 -3.743 -6.176 -15.955 1.00 10.00 H new ATOM 0 HG22 THR A 60 -2.807 -5.439 -14.632 1.00 10.00 H new ATOM 0 HG23 THR A 60 -3.030 -7.204 -14.690 1.00 10.00 H new ATOM 900 N ASP A 61 -2.898 -7.960 -12.332 1.00 10.00 N ATOM 901 CA ASP A 61 -2.331 -9.258 -11.973 1.00 10.00 C ATOM 902 C ASP A 61 -1.156 -9.094 -10.983 1.00 10.00 C ATOM 903 O ASP A 61 -0.066 -9.620 -11.177 1.00 10.00 O ATOM 904 CB ASP A 61 -1.957 -9.967 -13.285 1.00 10.00 C ATOM 905 CG ASP A 61 -1.852 -11.476 -13.118 1.00 10.00 C ATOM 906 OD1 ASP A 61 -2.919 -12.119 -13.202 1.00 10.00 O ATOM 907 OD2 ASP A 61 -0.716 -11.958 -12.935 1.00 10.00 O ATOM 0 H ASP A 61 -2.243 -7.367 -12.842 1.00 10.00 H new ATOM 0 HA ASP A 61 -3.049 -9.880 -11.438 1.00 10.00 H new ATOM 0 HB2 ASP A 61 -2.705 -9.739 -14.044 1.00 10.00 H new ATOM 0 HB3 ASP A 61 -1.006 -9.577 -13.648 1.00 10.00 H new ATOM 912 N CYS A 62 -1.357 -8.332 -9.902 1.00 10.00 N ATOM 913 CA CYS A 62 -0.346 -8.208 -8.852 1.00 10.00 C ATOM 914 C CYS A 62 -0.389 -9.418 -7.917 1.00 10.00 C ATOM 915 O CYS A 62 -1.388 -9.640 -7.236 1.00 10.00 O ATOM 916 CB CYS A 62 -0.515 -6.906 -8.065 1.00 10.00 C ATOM 917 SG CYS A 62 0.342 -5.499 -8.791 1.00 10.00 S ATOM 0 H CYS A 62 -2.208 -7.795 -9.734 1.00 10.00 H new ATOM 0 HA CYS A 62 0.632 -8.178 -9.332 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.577 -6.673 -7.991 1.00 10.00 H new ATOM 0 HB3 CYS A 62 -0.150 -7.057 -7.049 1.00 10.00 H new ATOM 922 N THR A 63 0.699 -10.187 -7.859 1.00 10.00 N ATOM 923 CA THR A 63 0.810 -11.336 -6.978 1.00 10.00 C ATOM 924 C THR A 63 1.144 -10.854 -5.568 1.00 10.00 C ATOM 925 O THR A 63 1.970 -9.955 -5.395 1.00 10.00 O ATOM 926 CB THR A 63 1.921 -12.255 -7.503 1.00 10.00 C ATOM 927 OG1 THR A 63 3.100 -11.498 -7.693 1.00 10.00 O ATOM 928 CG2 THR A 63 1.528 -12.883 -8.843 1.00 10.00 C ATOM 0 H THR A 63 1.530 -10.024 -8.428 1.00 10.00 H new ATOM 0 HA THR A 63 -0.130 -11.887 -6.950 1.00 10.00 H new ATOM 0 HB THR A 63 2.082 -13.048 -6.772 1.00 10.00 H new ATOM 0 HG1 THR A 63 3.813 -12.081 -8.027 1.00 10.00 H new ATOM 0 HG21 THR A 63 2.333 -13.529 -9.192 1.00 10.00 H new ATOM 0 HG22 THR A 63 0.619 -13.472 -8.716 1.00 10.00 H new ATOM 0 HG23 THR A 63 1.351 -12.096 -9.576 1.00 10.00 H new ATOM 936 N ASP A 64 0.524 -11.456 -4.550 1.00 10.00 N ATOM 937 CA ASP A 64 0.787 -11.155 -3.152 1.00 10.00 C ATOM 938 C ASP A 64 2.289 -11.064 -2.823 1.00 10.00 C ATOM 939 O ASP A 64 2.672 -10.238 -2.003 1.00 10.00 O ATOM 940 CB ASP A 64 0.035 -12.177 -2.294 1.00 10.00 C ATOM 941 CG ASP A 64 -1.354 -11.677 -1.913 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.427 -10.875 -0.958 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.322 -12.091 -2.587 1.00 10.00 O ATOM 0 H ASP A 64 -0.185 -12.177 -4.683 1.00 10.00 H new ATOM 0 HA ASP A 64 0.415 -10.156 -2.922 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.053 -13.116 -2.840 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.608 -12.386 -1.390 1.00 10.00 H new ATOM 948 N GLU A 65 3.153 -11.831 -3.496 1.00 10.00 N ATOM 949 CA GLU A 65 4.601 -11.654 -3.402 1.00 10.00 C ATOM 950 C GLU A 65 5.038 -10.202 -3.680 1.00 10.00 C ATOM 951 O GLU A 65 5.546 -9.534 -2.777 1.00 10.00 O ATOM 952 CB GLU A 65 5.324 -12.663 -4.306 1.00 10.00 C ATOM 953 CG GLU A 65 4.972 -14.111 -3.920 1.00 10.00 C ATOM 954 CD GLU A 65 6.103 -15.088 -4.216 1.00 10.00 C ATOM 955 OE1 GLU A 65 7.011 -15.169 -3.363 1.00 10.00 O ATOM 956 OE2 GLU A 65 6.030 -15.738 -5.281 1.00 10.00 O ATOM 0 H GLU A 65 2.868 -12.588 -4.118 1.00 10.00 H new ATOM 0 HA GLU A 65 4.893 -11.856 -2.372 1.00 10.00 H new ATOM 0 HB2 GLU A 65 5.050 -12.485 -5.346 1.00 10.00 H new ATOM 0 HB3 GLU A 65 6.401 -12.516 -4.230 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.731 -14.151 -2.858 1.00 10.00 H new ATOM 0 HG3 GLU A 65 4.078 -14.421 -4.462 1.00 10.00 H new ATOM 963 N ASP A 66 4.782 -9.673 -4.885 1.00 10.00 N ATOM 964 CA ASP A 66 5.183 -8.309 -5.221 1.00 10.00 C ATOM 965 C ASP A 66 4.292 -7.289 -4.488 1.00 10.00 C ATOM 966 O ASP A 66 4.743 -6.193 -4.157 1.00 10.00 O ATOM 967 CB ASP A 66 5.189 -8.120 -6.752 1.00 10.00 C ATOM 968 CG ASP A 66 6.570 -8.319 -7.356 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.100 -9.437 -7.193 1.00 10.00 O ATOM 970 OD2 ASP A 66 7.062 -7.344 -7.964 1.00 10.00 O ATOM 0 H ASP A 66 4.302 -10.169 -5.636 1.00 10.00 H new ATOM 0 HA ASP A 66 6.202 -8.130 -4.877 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.492 -8.825 -7.205 1.00 10.00 H new ATOM 0 HB3 ASP A 66 4.831 -7.119 -6.993 1.00 10.00 H new ATOM 975 N TYR A 67 3.043 -7.648 -4.166 1.00 10.00 N ATOM 976 CA TYR A 67 2.104 -6.741 -3.520 1.00 10.00 C ATOM 977 C TYR A 67 2.540 -6.478 -2.077 1.00 10.00 C ATOM 978 O TYR A 67 2.668 -5.343 -1.623 1.00 10.00 O ATOM 979 CB TYR A 67 0.702 -7.378 -3.553 1.00 10.00 C ATOM 980 CG TYR A 67 -0.424 -6.541 -4.110 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.380 -5.135 -4.084 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.533 -7.202 -4.671 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.389 -4.400 -4.721 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.590 -6.459 -5.217 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.515 -5.062 -5.229 1.00 10.00 C ATOM 986 OH TYR A 67 -3.613 -4.346 -5.550 1.00 10.00 O ATOM 0 H TYR A 67 2.661 -8.576 -4.348 1.00 10.00 H new ATOM 0 HA TYR A 67 2.083 -5.787 -4.047 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.762 -8.296 -4.138 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.438 -7.665 -2.535 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.426 -4.626 -3.577 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.570 -8.281 -4.681 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.299 -3.328 -4.820 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.455 -6.961 -5.625 1.00 10.00 H new ATOM 0 HH TYR A 67 -3.511 -3.978 -6.452 1.00 10.00 H new ATOM 996 N LYS A 68 2.809 -7.569 -1.365 1.00 10.00 N ATOM 997 CA LYS A 68 3.301 -7.561 -0.008 1.00 10.00 C ATOM 998 C LYS A 68 4.683 -6.937 0.013 1.00 10.00 C ATOM 999 O LYS A 68 4.881 -5.994 0.760 1.00 10.00 O ATOM 1000 CB LYS A 68 3.320 -8.975 0.567 1.00 10.00 C ATOM 1001 CG LYS A 68 3.715 -8.920 2.043 1.00 10.00 C ATOM 1002 CD LYS A 68 3.597 -10.327 2.629 1.00 10.00 C ATOM 1003 CE LYS A 68 3.912 -10.299 4.130 1.00 10.00 C ATOM 1004 NZ LYS A 68 3.243 -11.416 4.831 1.00 10.00 N ATOM 0 H LYS A 68 2.683 -8.510 -1.738 1.00 10.00 H new ATOM 0 HA LYS A 68 2.636 -6.967 0.619 1.00 10.00 H new ATOM 0 HB2 LYS A 68 2.338 -9.436 0.459 1.00 10.00 H new ATOM 0 HB3 LYS A 68 4.026 -9.595 0.014 1.00 10.00 H new ATOM 0 HG2 LYS A 68 4.735 -8.550 2.149 1.00 10.00 H new ATOM 0 HG3 LYS A 68 3.068 -8.229 2.583 1.00 10.00 H new ATOM 0 HD2 LYS A 68 2.591 -10.714 2.467 1.00 10.00 H new ATOM 0 HD3 LYS A 68 4.284 -11.002 2.118 1.00 10.00 H new ATOM 0 HE2 LYS A 68 4.990 -10.363 4.281 1.00 10.00 H new ATOM 0 HE3 LYS A 68 3.587 -9.350 4.556 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 3.443 -11.356 5.850 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 2.216 -11.358 4.676 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 3.598 -12.321 4.461 1.00 10.00 H new ATOM 1018 N ALA A 69 5.613 -7.400 -0.828 1.00 10.00 N ATOM 1019 CA ALA A 69 6.921 -6.764 -0.976 1.00 10.00 C ATOM 1020 C ALA A 69 6.817 -5.232 -1.166 1.00 10.00 C ATOM 1021 O ALA A 69 7.639 -4.470 -0.661 1.00 10.00 O ATOM 1022 CB ALA A 69 7.687 -7.460 -2.096 1.00 10.00 C ATOM 0 H ALA A 69 5.480 -8.220 -1.420 1.00 10.00 H new ATOM 0 HA ALA A 69 7.484 -6.885 -0.050 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.664 -6.992 -2.214 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.817 -8.514 -1.848 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.128 -7.373 -3.028 1.00 10.00 H new ATOM 1028 N ALA A 70 5.776 -4.759 -1.859 1.00 10.00 N ATOM 1029 CA ALA A 70 5.531 -3.335 -2.097 1.00 10.00 C ATOM 1030 C ALA A 70 4.993 -2.623 -0.850 1.00 10.00 C ATOM 1031 O ALA A 70 5.315 -1.463 -0.624 1.00 10.00 O ATOM 1032 CB ALA A 70 4.595 -3.156 -3.296 1.00 10.00 C ATOM 0 H ALA A 70 5.070 -5.365 -2.276 1.00 10.00 H new ATOM 0 HA ALA A 70 6.487 -2.865 -2.329 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.419 -2.094 -3.465 1.00 10.00 H new ATOM 0 HB2 ALA A 70 5.053 -3.593 -4.183 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.646 -3.653 -3.094 1.00 10.00 H new ATOM 1038 N ILE A 71 4.194 -3.317 -0.039 1.00 10.00 N ATOM 1039 CA ILE A 71 3.654 -2.854 1.247 1.00 10.00 C ATOM 1040 C ILE A 71 4.761 -2.819 2.323 1.00 10.00 C ATOM 1041 O ILE A 71 5.022 -1.804 2.972 1.00 10.00 O ATOM 1042 CB ILE A 71 2.439 -3.762 1.588 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.090 -3.042 1.428 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.490 -4.521 2.925 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.136 -3.843 0.546 1.00 10.00 C ATOM 0 H ILE A 71 3.889 -4.263 -0.269 1.00 10.00 H new ATOM 0 HA ILE A 71 3.298 -1.825 1.199 1.00 10.00 H new ATOM 0 HB ILE A 71 2.526 -4.539 0.829 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.639 -2.887 2.408 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.251 -2.056 0.992 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.584 -5.116 3.040 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.360 -5.178 2.938 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.562 -3.808 3.746 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.809 -3.308 0.452 1.00 10.00 H new ATOM 0 HD12 ILE A 71 0.578 -3.975 -0.442 1.00 10.00 H new ATOM 0 HD13 ILE A 71 -0.043 -4.819 0.997 1.00 10.00 H new ATOM 1057 N GLU A 72 5.474 -3.932 2.467 1.00 10.00 N ATOM 1058 CA GLU A 72 6.579 -4.101 3.397 1.00 10.00 C ATOM 1059 C GLU A 72 7.760 -3.179 3.091 1.00 10.00 C ATOM 1060 O GLU A 72 8.402 -2.722 4.038 1.00 10.00 O ATOM 1061 CB GLU A 72 6.932 -5.583 3.588 1.00 10.00 C ATOM 1062 CG GLU A 72 7.569 -6.211 2.347 1.00 10.00 C ATOM 1063 CD GLU A 72 9.081 -6.388 2.413 1.00 10.00 C ATOM 1064 OE1 GLU A 72 9.729 -5.582 3.113 1.00 10.00 O ATOM 1065 OE2 GLU A 72 9.554 -7.344 1.765 1.00 10.00 O ATOM 0 H GLU A 72 5.289 -4.771 1.917 1.00 10.00 H new ATOM 0 HA GLU A 72 6.246 -3.763 4.379 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.617 -5.682 4.430 1.00 10.00 H new ATOM 0 HB3 GLU A 72 6.028 -6.136 3.845 1.00 10.00 H new ATOM 0 HG2 GLU A 72 7.112 -7.186 2.178 1.00 10.00 H new ATOM 0 HG3 GLU A 72 7.329 -5.592 1.482 1.00 10.00 H new ATOM 1072 N PHE A 73 7.948 -2.795 1.815 1.00 10.00 N ATOM 1073 CA PHE A 73 8.913 -1.764 1.425 1.00 10.00 C ATOM 1074 C PHE A 73 8.911 -0.553 2.374 1.00 10.00 C ATOM 1075 O PHE A 73 9.967 -0.022 2.708 1.00 10.00 O ATOM 1076 CB PHE A 73 8.632 -1.306 -0.014 1.00 10.00 C ATOM 1077 CG PHE A 73 9.731 -0.444 -0.607 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.795 0.933 -0.315 1.00 10.00 C ATOM 1079 CD2 PHE A 73 10.730 -1.034 -1.405 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.860 1.711 -0.806 1.00 10.00 C ATOM 1081 CE2 PHE A 73 11.782 -0.251 -1.912 1.00 10.00 C ATOM 1082 CZ PHE A 73 11.843 1.122 -1.621 1.00 10.00 C ATOM 0 H PHE A 73 7.433 -3.194 1.030 1.00 10.00 H new ATOM 0 HA PHE A 73 9.904 -2.213 1.488 1.00 10.00 H new ATOM 0 HB2 PHE A 73 8.492 -2.184 -0.644 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.696 -0.748 -0.032 1.00 10.00 H new ATOM 0 HD1 PHE A 73 9.025 1.392 0.287 1.00 10.00 H new ATOM 0 HD2 PHE A 73 10.688 -2.090 -1.628 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.922 2.760 -0.557 1.00 10.00 H new ATOM 0 HE2 PHE A 73 12.545 -0.706 -2.526 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.644 1.725 -2.023 1.00 10.00 H new ATOM 1092 N MET A 74 7.722 -0.107 2.802 1.00 10.00 N ATOM 1093 CA MET A 74 7.599 1.030 3.705 1.00 10.00 C ATOM 1094 C MET A 74 7.927 0.648 5.163 1.00 10.00 C ATOM 1095 O MET A 74 8.918 1.114 5.720 1.00 10.00 O ATOM 1096 CB MET A 74 6.192 1.632 3.616 1.00 10.00 C ATOM 1097 CG MET A 74 5.773 2.188 2.242 1.00 10.00 C ATOM 1098 SD MET A 74 5.142 0.947 1.076 1.00 10.00 S ATOM 1099 CE MET A 74 3.615 1.661 0.409 1.00 10.00 C ATOM 0 H MET A 74 6.831 -0.524 2.532 1.00 10.00 H new ATOM 0 HA MET A 74 8.328 1.776 3.391 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.473 0.867 3.909 1.00 10.00 H new ATOM 0 HB3 MET A 74 6.117 2.436 4.348 1.00 10.00 H new ATOM 0 HG2 MET A 74 5.006 2.948 2.392 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.631 2.686 1.791 1.00 10.00 H new ATOM 0 HE1 MET A 74 3.344 1.145 -0.512 1.00 10.00 H new ATOM 0 HE2 MET A 74 2.812 1.548 1.138 1.00 10.00 H new ATOM 0 HE3 MET A 74 3.769 2.720 0.200 1.00 10.00 H new ATOM 1109 N SER A 75 7.060 -0.149 5.811 1.00 10.00 N ATOM 1110 CA SER A 75 7.215 -0.526 7.225 1.00 10.00 C ATOM 1111 C SER A 75 6.365 -1.745 7.638 1.00 10.00 C ATOM 1112 O SER A 75 5.924 -1.847 8.780 1.00 10.00 O ATOM 1113 CB SER A 75 6.926 0.693 8.121 1.00 10.00 C ATOM 1114 OG SER A 75 7.464 0.493 9.417 1.00 10.00 O ATOM 0 H SER A 75 6.233 -0.549 5.369 1.00 10.00 H new ATOM 0 HA SER A 75 8.249 -0.841 7.361 1.00 10.00 H new ATOM 0 HB2 SER A 75 7.357 1.590 7.676 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.850 0.856 8.188 1.00 10.00 H new ATOM 0 HG SER A 75 7.176 -0.379 9.760 1.00 10.00 H new ATOM 1120 N LYS A 76 6.142 -2.689 6.713 1.00 10.00 N ATOM 1121 CA LYS A 76 5.403 -3.947 6.908 1.00 10.00 C ATOM 1122 C LYS A 76 4.180 -3.846 7.830 1.00 10.00 C ATOM 1123 O LYS A 76 4.049 -4.622 8.775 1.00 10.00 O ATOM 1124 CB LYS A 76 6.359 -5.101 7.273 1.00 10.00 C ATOM 1125 CG LYS A 76 7.146 -4.915 8.578 1.00 10.00 C ATOM 1126 CD LYS A 76 8.561 -4.381 8.293 1.00 10.00 C ATOM 1127 CE LYS A 76 9.233 -3.833 9.557 1.00 10.00 C ATOM 1128 NZ LYS A 76 9.395 -4.879 10.588 1.00 10.00 N ATOM 0 H LYS A 76 6.490 -2.592 5.759 1.00 10.00 H new ATOM 0 HA LYS A 76 4.957 -4.183 5.942 1.00 10.00 H new ATOM 0 HB2 LYS A 76 5.779 -6.021 7.346 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.068 -5.235 6.456 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.616 -4.222 9.232 1.00 10.00 H new ATOM 0 HG3 LYS A 76 7.211 -5.866 9.107 1.00 10.00 H new ATOM 0 HD2 LYS A 76 9.173 -5.180 7.875 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.507 -3.594 7.541 1.00 10.00 H new ATOM 0 HE2 LYS A 76 10.209 -3.421 9.301 1.00 10.00 H new ATOM 0 HE3 LYS A 76 8.637 -3.014 9.960 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 9.943 -4.498 11.386 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 8.459 -5.183 10.924 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 9.898 -5.693 10.181 1.00 10.00 H new ATOM 1142 N ALA A 77 3.275 -2.910 7.519 1.00 10.00 N ATOM 1143 CA ALA A 77 2.081 -2.630 8.319 1.00 10.00 C ATOM 1144 C ALA A 77 0.847 -2.337 7.462 1.00 10.00 C ATOM 1145 O ALA A 77 -0.188 -2.972 7.636 1.00 10.00 O ATOM 1146 CB ALA A 77 2.363 -1.465 9.273 1.00 10.00 C ATOM 0 H ALA A 77 3.355 -2.318 6.692 1.00 10.00 H new ATOM 0 HA ALA A 77 1.852 -3.529 8.891 1.00 10.00 H new ATOM 0 HB1 ALA A 77 1.473 -1.258 9.868 1.00 10.00 H new ATOM 0 HB2 ALA A 77 3.188 -1.728 9.935 1.00 10.00 H new ATOM 0 HB3 ALA A 77 2.628 -0.579 8.697 1.00 10.00 H new ATOM 1152 N LYS A 78 0.965 -1.364 6.558 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.018 -1.048 5.524 1.00 10.00 C ATOM 1154 C LYS A 78 0.642 -1.039 4.137 1.00 10.00 C ATOM 1155 O LYS A 78 1.774 -1.553 4.053 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.814 0.221 5.897 1.00 10.00 C ATOM 1157 CG LYS A 78 -0.058 1.553 6.025 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.433 2.604 4.967 1.00 10.00 C ATOM 1159 CE LYS A 78 0.107 2.251 3.578 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.689 3.412 2.882 1.00 10.00 N ATOM 1161 OXT LYS A 78 0.012 -0.561 3.170 1.00 10.00 O ATOM 0 H LYS A 78 1.780 -0.751 6.526 1.00 10.00 H new ATOM 0 HA LYS A 78 -0.771 -1.833 5.465 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.595 0.354 5.148 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.313 0.031 6.847 1.00 10.00 H new ATOM 0 HG2 LYS A 78 -0.246 1.969 7.015 1.00 10.00 H new ATOM 0 HG3 LYS A 78 1.012 1.356 5.960 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.518 2.697 4.919 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -0.043 3.576 5.270 1.00 10.00 H new ATOM 0 HE2 LYS A 78 0.864 1.473 3.674 1.00 10.00 H new ATOM 0 HE3 LYS A 78 -0.700 1.837 2.973 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 0.742 3.215 1.862 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 0.092 4.248 3.042 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 1.645 3.594 3.250 1.00 10.00 H new TER 1175 LYS A 78 HETATM 1176 FE HEC A 90 -3.607 3.818 -0.586 1.00 10.00 FE HETATM 1177 CHA HEC A 90 -5.251 4.188 2.484 1.00 10.00 C HETATM 1178 CHB HEC A 90 -1.947 1.026 0.630 1.00 10.00 C HETATM 1179 CHC HEC A 90 -2.375 3.280 -3.731 1.00 10.00 C HETATM 1180 CHD HEC A 90 -5.043 6.843 -1.619 1.00 10.00 C HETATM 1181 NA HEC A 90 -3.636 2.766 1.200 1.00 10.00 N HETATM 1182 C1A HEC A 90 -4.445 3.059 2.262 1.00 10.00 C HETATM 1183 C2A HEC A 90 -4.320 1.965 3.189 1.00 10.00 C HETATM 1184 C3A HEC A 90 -3.403 1.084 2.672 1.00 10.00 C HETATM 1185 C4A HEC A 90 -2.915 1.634 1.437 1.00 10.00 C HETATM 1186 CMA HEC A 90 -3.196 -0.330 3.117 1.00 10.00 C HETATM 1187 CAA HEC A 90 -4.972 1.902 4.542 1.00 10.00 C HETATM 1188 CBA HEC A 90 -4.194 2.772 5.529 1.00 10.00 C HETATM 1189 CGA HEC A 90 -5.043 3.582 6.484 1.00 10.00 C HETATM 1190 O1A HEC A 90 -6.283 3.443 6.443 1.00 10.00 O HETATM 1191 O2A HEC A 90 -4.420 4.275 7.317 1.00 10.00 O HETATM 1192 NB HEC A 90 -2.386 2.405 -1.399 1.00 10.00 N HETATM 1193 C1B HEC A 90 -1.763 1.404 -0.700 1.00 10.00 C HETATM 1194 C2B HEC A 90 -0.862 0.739 -1.603 1.00 10.00 C HETATM 1195 C3B HEC A 90 -1.045 1.307 -2.849 1.00 10.00 C HETATM 1196 C4B HEC A 90 -1.992 2.396 -2.704 1.00 10.00 C HETATM 1197 CMB HEC A 90 0.103 -0.369 -1.212 1.00 10.00 C HETATM 1198 CAB HEC A 90 -0.256 0.974 -4.096 1.00 10.00 C HETATM 1199 CBB HEC A 90 -0.426 -0.479 -4.562 1.00 10.00 C HETATM 1200 NC HEC A 90 -3.707 4.873 -2.375 1.00 10.00 N HETATM 1201 C1C HEC A 90 -3.157 4.435 -3.539 1.00 10.00 C HETATM 1202 C2C HEC A 90 -3.491 5.404 -4.564 1.00 10.00 C HETATM 1203 C3C HEC A 90 -4.224 6.415 -3.958 1.00 10.00 C HETATM 1204 C4C HEC A 90 -4.350 6.067 -2.560 1.00 10.00 C HETATM 1205 CMC HEC A 90 -3.097 5.310 -6.024 1.00 10.00 C HETATM 1206 CAC HEC A 90 -4.808 7.691 -4.567 1.00 10.00 C HETATM 1207 CBC HEC A 90 -4.734 7.865 -6.084 1.00 10.00 C HETATM 1208 ND HEC A 90 -4.825 5.331 0.330 1.00 10.00 N HETATM 1209 C1D HEC A 90 -5.257 6.455 -0.298 1.00 10.00 C HETATM 1210 C2D HEC A 90 -6.052 7.196 0.650 1.00 10.00 C HETATM 1211 C3D HEC A 90 -6.196 6.410 1.770 1.00 10.00 C HETATM 1212 C4D HEC A 90 -5.367 5.242 1.577 1.00 10.00 C HETATM 1213 CMD HEC A 90 -6.655 8.561 0.426 1.00 10.00 C HETATM 1214 CAD HEC A 90 -7.211 6.613 2.873 1.00 10.00 C HETATM 1215 CBD HEC A 90 -6.643 7.088 4.216 1.00 10.00 C HETATM 1216 CGD HEC A 90 -7.748 7.310 5.245 1.00 10.00 C HETATM 1217 O1D HEC A 90 -7.391 7.646 6.393 1.00 10.00 O HETATM 1218 O2D HEC A 90 -8.930 7.136 4.871 1.00 10.00 O HETATM 0 HMD3 HEC A 90 -5.862 9.280 0.222 1.00 10.00 H new HETATM 0 HMD2 HEC A 90 -7.337 8.522 -0.423 1.00 10.00 H new HETATM 0 HMD1 HEC A 90 -7.202 8.868 1.317 1.00 10.00 H new HETATM 0 HMC3 HEC A 90 -2.010 5.286 -6.107 1.00 10.00 H new HETATM 0 HMC2 HEC A 90 -3.514 4.400 -6.455 1.00 10.00 H new HETATM 0 HMC1 HEC A 90 -3.483 6.176 -6.562 1.00 10.00 H new HETATM 0 HMB3 HEC A 90 0.795 0.001 -0.456 1.00 10.00 H new HETATM 0 HMB2 HEC A 90 -0.456 -1.214 -0.810 1.00 10.00 H new HETATM 0 HMB1 HEC A 90 0.663 -0.690 -2.090 1.00 10.00 H new HETATM 0 HMA3 HEC A 90 -2.917 -0.343 4.171 1.00 10.00 H new HETATM 0 HMA2 HEC A 90 -4.119 -0.894 2.979 1.00 10.00 H new HETATM 0 HMA1 HEC A 90 -2.401 -0.785 2.526 1.00 10.00 H new HETATM 0 HBD2 HEC A 90 -5.936 6.350 4.594 1.00 10.00 H new HETATM 0 HBD1 HEC A 90 -6.089 8.015 4.070 1.00 10.00 H new HETATM 0 HBC3 HEC A 90 -3.691 7.853 -6.401 1.00 10.00 H new HETATM 0 HBC2 HEC A 90 -5.270 7.050 -6.570 1.00 10.00 H new HETATM 0 HBC1 HEC A 90 -5.188 8.816 -6.364 1.00 10.00 H new HETATM 0 HBB3 HEC A 90 -0.091 -1.155 -3.775 1.00 10.00 H new HETATM 0 HBB2 HEC A 90 -1.476 -0.670 -4.781 1.00 10.00 H new HETATM 0 HBB1 HEC A 90 0.168 -0.645 -5.460 1.00 10.00 H new HETATM 0 HBA2 HEC A 90 -3.533 2.130 6.111 1.00 10.00 H new HETATM 0 HBA1 HEC A 90 -3.559 3.455 4.964 1.00 10.00 H new HETATM 0 HAD2 HEC A 90 -7.949 7.339 2.534 1.00 10.00 H new HETATM 0 HAD1 HEC A 90 -7.739 5.673 3.034 1.00 10.00 H new HETATM 0 HAA2 HEC A 90 -6.004 2.245 4.475 1.00 10.00 H new HETATM 0 HAA1 HEC A 90 -5.001 0.871 4.895 1.00 10.00 H new HETATM 0 HHD HEC A 90 -5.438 7.807 -1.940 1.00 10.00 H new HETATM 0 HHC HEC A 90 -2.043 3.055 -4.745 1.00 10.00 H new HETATM 0 HHB HEC A 90 -1.322 0.238 1.051 1.00 10.00 H new HETATM 0 HHA HEC A 90 -5.816 4.244 3.415 1.00 10.00 H new HETATM 0 H2D HEC A 90 -9.538 7.303 5.621 1.00 10.00 H new HETATM 0 H2A HEC A 90 -4.865 5.142 7.419 1.00 10.00 H new