USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= 1.15 K(o=-2.2,f=-6.8!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -3.35 K(o=-2.2,f=-7.3!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0826) USER MOD Single : A 15 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.42) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 140:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.146 X(o=-0.15,f=-0.4) USER MOD Single : A 27 HIS : no HD1:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -109:sc= 0.987 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 55 THR OG1 : rot 37:sc= 1.19 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0.047 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0233 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -106:sc= 0.885 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 1.605 -8.771 -10.539 1.00 0.00 N ATOM 66 CA LYS A 5 2.023 -8.712 -9.148 1.00 0.00 C ATOM 67 C LYS A 5 0.808 -9.087 -8.303 1.00 0.00 C ATOM 68 O LYS A 5 0.286 -8.308 -7.507 1.00 0.00 O ATOM 69 CB LYS A 5 2.700 -7.364 -8.832 1.00 0.00 C ATOM 70 CG LYS A 5 4.224 -7.342 -9.058 1.00 0.00 C ATOM 71 CD LYS A 5 4.608 -6.542 -10.320 1.00 0.00 C ATOM 72 CE LYS A 5 6.009 -6.916 -10.819 1.00 0.00 C ATOM 73 NZ LYS A 5 7.065 -6.491 -9.879 1.00 0.00 N ATOM 0 HA LYS A 5 2.808 -9.429 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.243 -6.590 -9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.496 -7.105 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.714 -6.904 -8.188 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.592 -8.364 -9.150 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.878 -6.730 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.572 -5.475 -10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.066 -7.995 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.182 -6.454 -11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.995 -6.764 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.029 -5.458 -9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.916 -6.951 -8.958 1.00 0.00 H new ATOM 87 N TYR A 6 0.333 -10.307 -8.543 1.00 0.00 N ATOM 88 CA TYR A 6 -0.785 -10.896 -7.834 1.00 0.00 C ATOM 89 C TYR A 6 -0.231 -11.492 -6.548 1.00 0.00 C ATOM 90 O TYR A 6 0.540 -12.447 -6.613 1.00 0.00 O ATOM 91 CB TYR A 6 -1.455 -11.961 -8.717 1.00 0.00 C ATOM 92 CG TYR A 6 -1.999 -11.493 -10.060 1.00 0.00 C ATOM 93 CD1 TYR A 6 -2.159 -10.125 -10.354 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.395 -12.453 -11.010 1.00 0.00 C ATOM 95 CE1 TYR A 6 -2.732 -9.721 -11.570 1.00 0.00 C ATOM 96 CE2 TYR A 6 -2.965 -12.047 -12.231 1.00 0.00 C ATOM 97 CZ TYR A 6 -3.163 -10.683 -12.496 1.00 0.00 C ATOM 98 OH TYR A 6 -3.756 -10.292 -13.659 1.00 0.00 O ATOM 0 H TYR A 6 0.729 -10.922 -9.254 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.549 -10.156 -7.595 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.731 -12.755 -8.901 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.276 -12.403 -8.153 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.839 -9.382 -9.639 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.261 -13.504 -10.801 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.841 -8.670 -11.793 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.250 -12.786 -12.965 1.00 0.00 H new ATOM 0 HH TYR A 6 -3.993 -11.083 -14.187 1.00 0.00 H new ATOM 108 N TYR A 7 -0.587 -10.921 -5.394 1.00 0.00 N ATOM 109 CA TYR A 7 -0.161 -11.443 -4.101 1.00 0.00 C ATOM 110 C TYR A 7 -1.378 -11.602 -3.187 1.00 0.00 C ATOM 111 O TYR A 7 -2.313 -10.799 -3.253 1.00 0.00 O ATOM 112 CB TYR A 7 0.914 -10.531 -3.505 1.00 0.00 C ATOM 113 CG TYR A 7 2.162 -10.417 -4.359 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.152 -11.414 -4.296 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.344 -9.309 -5.207 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.318 -11.308 -5.074 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.526 -9.190 -5.957 1.00 0.00 C ATOM 118 CZ TYR A 7 4.499 -10.198 -5.912 1.00 0.00 C ATOM 119 OH TYR A 7 5.641 -10.060 -6.646 1.00 0.00 O ATOM 0 H TYR A 7 -1.175 -10.090 -5.334 1.00 0.00 H new ATOM 0 HA TYR A 7 0.286 -12.430 -4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.493 -9.536 -3.359 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.192 -10.908 -2.521 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.016 -12.266 -3.646 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.577 -8.552 -5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.072 -12.079 -5.027 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.686 -8.317 -6.572 1.00 0.00 H new ATOM 0 HH TYR A 7 5.595 -9.233 -7.170 1.00 0.00 H new ATOM 129 N THR A 8 -1.397 -12.673 -2.390 1.00 0.00 N ATOM 130 CA THR A 8 -2.463 -12.971 -1.445 1.00 0.00 C ATOM 131 C THR A 8 -2.240 -12.160 -0.167 1.00 0.00 C ATOM 132 O THR A 8 -1.176 -11.567 0.022 1.00 0.00 O ATOM 133 CB THR A 8 -2.440 -14.477 -1.139 1.00 0.00 C ATOM 134 OG1 THR A 8 -1.131 -14.843 -0.752 1.00 0.00 O ATOM 135 CG2 THR A 8 -2.833 -15.311 -2.361 1.00 0.00 C ATOM 0 H THR A 8 -0.652 -13.370 -2.388 1.00 0.00 H new ATOM 0 HA THR A 8 -3.434 -12.705 -1.863 1.00 0.00 H new ATOM 0 HB THR A 8 -3.160 -14.671 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 8 -1.105 -15.802 -0.553 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.804 -16.370 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.841 -15.041 -2.677 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.134 -15.117 -3.174 1.00 0.00 H new ATOM 143 N LEU A 9 -3.233 -12.141 0.725 1.00 0.00 N ATOM 144 CA LEU A 9 -3.169 -11.360 1.948 1.00 0.00 C ATOM 145 C LEU A 9 -1.937 -11.747 2.759 1.00 0.00 C ATOM 146 O LEU A 9 -1.075 -10.909 3.016 1.00 0.00 O ATOM 147 CB LEU A 9 -4.456 -11.552 2.766 1.00 0.00 C ATOM 148 CG LEU A 9 -5.747 -11.001 2.132 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.538 -9.614 1.521 1.00 0.00 C ATOM 150 CD2 LEU A 9 -6.377 -11.948 1.114 1.00 0.00 C ATOM 0 H LEU A 9 -4.099 -12.668 0.614 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.084 -10.304 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.591 -12.618 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.320 -11.076 3.737 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.455 -10.911 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.474 -9.264 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.217 -8.919 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.775 -9.670 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.282 -11.496 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.671 -12.135 0.305 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.629 -12.890 1.601 1.00 0.00 H new ATOM 162 N GLU A 10 -1.850 -13.023 3.138 1.00 0.00 N ATOM 163 CA GLU A 10 -0.743 -13.560 3.911 1.00 0.00 C ATOM 164 C GLU A 10 0.606 -13.217 3.273 1.00 0.00 C ATOM 165 O GLU A 10 1.529 -12.808 3.977 1.00 0.00 O ATOM 166 CB GLU A 10 -0.938 -15.068 4.111 1.00 0.00 C ATOM 167 CG GLU A 10 -1.084 -15.866 2.805 1.00 0.00 C ATOM 168 CD GLU A 10 -1.489 -17.307 3.085 1.00 0.00 C ATOM 169 OE1 GLU A 10 -1.046 -17.831 4.129 1.00 0.00 O ATOM 170 OE2 GLU A 10 -2.245 -17.848 2.252 1.00 0.00 O ATOM 0 H GLU A 10 -2.561 -13.718 2.910 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.733 -13.091 4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.089 -15.461 4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.825 -15.230 4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.831 -15.393 2.168 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.141 -15.850 2.258 1.00 0.00 H new ATOM 177 N GLU A 11 0.711 -13.356 1.949 1.00 0.00 N ATOM 178 CA GLU A 11 1.935 -13.072 1.220 1.00 0.00 C ATOM 179 C GLU A 11 2.304 -11.596 1.382 1.00 0.00 C ATOM 180 O GLU A 11 3.396 -11.273 1.847 1.00 0.00 O ATOM 181 CB GLU A 11 1.767 -13.499 -0.246 1.00 0.00 C ATOM 182 CG GLU A 11 3.086 -13.502 -1.031 1.00 0.00 C ATOM 183 CD GLU A 11 4.143 -14.418 -0.416 1.00 0.00 C ATOM 184 OE1 GLU A 11 3.760 -15.525 0.016 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.316 -13.990 -0.371 1.00 0.00 O ATOM 0 H GLU A 11 -0.057 -13.670 1.356 1.00 0.00 H new ATOM 0 HA GLU A 11 2.767 -13.647 1.626 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.330 -14.497 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.062 -12.826 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.892 -13.817 -2.056 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.477 -12.486 -1.078 1.00 0.00 H new ATOM 192 N ILE A 12 1.380 -10.684 1.061 1.00 0.00 N ATOM 193 CA ILE A 12 1.600 -9.254 1.251 1.00 0.00 C ATOM 194 C ILE A 12 2.003 -8.975 2.705 1.00 0.00 C ATOM 195 O ILE A 12 2.911 -8.184 2.956 1.00 0.00 O ATOM 196 CB ILE A 12 0.359 -8.453 0.817 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.046 -8.700 -0.666 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.610 -6.952 1.014 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.415 -8.396 -0.996 1.00 0.00 C ATOM 0 H ILE A 12 0.469 -10.917 0.666 1.00 0.00 H new ATOM 0 HA ILE A 12 2.423 -8.925 0.616 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.483 -8.779 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.695 -8.078 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.267 -9.738 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.272 -6.392 0.705 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.816 -6.753 2.066 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.465 -6.644 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.596 -8.583 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.064 -9.036 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.629 -7.351 -0.771 1.00 0.00 H new ATOM 211 N GLN A 13 1.382 -9.670 3.661 1.00 0.00 N ATOM 212 CA GLN A 13 1.678 -9.566 5.085 1.00 0.00 C ATOM 213 C GLN A 13 3.141 -9.863 5.442 1.00 0.00 C ATOM 214 O GLN A 13 3.562 -9.555 6.557 1.00 0.00 O ATOM 215 CB GLN A 13 0.700 -10.446 5.881 1.00 0.00 C ATOM 216 CG GLN A 13 -0.002 -9.659 6.992 1.00 0.00 C ATOM 217 CD GLN A 13 -1.031 -10.528 7.706 1.00 0.00 C ATOM 218 OE1 GLN A 13 -2.228 -10.417 7.469 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.575 -11.414 8.586 1.00 0.00 N ATOM 0 H GLN A 13 0.639 -10.338 3.456 1.00 0.00 H new ATOM 0 HA GLN A 13 1.536 -8.523 5.367 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.046 -10.863 5.205 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.240 -11.286 6.317 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.735 -9.298 7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.492 -8.782 6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.427 -11.486 8.765 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.227 -12.022 9.082 1.00 0.00 H new ATOM 228 N LYS A 14 3.928 -10.443 4.527 1.00 0.00 N ATOM 229 CA LYS A 14 5.349 -10.679 4.740 1.00 0.00 C ATOM 230 C LYS A 14 6.149 -9.397 4.484 1.00 0.00 C ATOM 231 O LYS A 14 7.212 -9.205 5.073 1.00 0.00 O ATOM 232 CB LYS A 14 5.836 -11.829 3.840 1.00 0.00 C ATOM 233 CG LYS A 14 5.016 -13.121 4.009 1.00 0.00 C ATOM 234 CD LYS A 14 5.244 -13.809 5.368 1.00 0.00 C ATOM 235 CE LYS A 14 5.841 -15.213 5.208 1.00 0.00 C ATOM 236 NZ LYS A 14 7.165 -15.179 4.554 1.00 0.00 N ATOM 0 H LYS A 14 3.590 -10.760 3.618 1.00 0.00 H new ATOM 0 HA LYS A 14 5.508 -10.970 5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.790 -11.511 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.882 -12.039 4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.957 -12.889 3.900 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.274 -13.815 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.911 -13.198 5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.297 -13.876 5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.932 -15.682 6.188 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.162 -15.831 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.650 -16.087 4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.044 -15.016 3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.734 -14.411 4.963 1.00 0.00 H new ATOM 250 N HIS A 15 5.657 -8.506 3.616 1.00 0.00 N ATOM 251 CA HIS A 15 6.357 -7.288 3.217 1.00 0.00 C ATOM 252 C HIS A 15 6.179 -6.188 4.271 1.00 0.00 C ATOM 253 O HIS A 15 5.643 -5.111 3.988 1.00 0.00 O ATOM 254 CB HIS A 15 5.860 -6.857 1.835 1.00 0.00 C ATOM 255 CG HIS A 15 6.331 -7.748 0.715 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.406 -7.504 -0.111 1.00 0.00 N ATOM 257 CD2 HIS A 15 5.741 -8.910 0.297 1.00 0.00 C ATOM 258 CE1 HIS A 15 7.461 -8.508 -1.003 1.00 0.00 C ATOM 259 NE2 HIS A 15 6.469 -9.386 -0.796 1.00 0.00 N ATOM 0 H HIS A 15 4.748 -8.616 3.167 1.00 0.00 H new ATOM 0 HA HIS A 15 7.428 -7.480 3.150 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.770 -6.840 1.840 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.193 -5.838 1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 15 4.870 -9.375 0.734 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.204 -8.596 -1.782 1.00 0.00 H new ATOM 0 HE2 HIS A 15 6.283 -10.234 -1.331 1.00 0.00 H new ATOM 267 N LYS A 16 6.655 -6.484 5.483 1.00 0.00 N ATOM 268 CA LYS A 16 6.633 -5.625 6.650 1.00 0.00 C ATOM 269 C LYS A 16 7.778 -6.058 7.563 1.00 0.00 C ATOM 270 O LYS A 16 7.552 -6.766 8.544 1.00 0.00 O ATOM 271 CB LYS A 16 5.287 -5.781 7.364 1.00 0.00 C ATOM 272 CG LYS A 16 5.177 -4.860 8.586 1.00 0.00 C ATOM 273 CD LYS A 16 4.040 -5.290 9.516 1.00 0.00 C ATOM 274 CE LYS A 16 4.504 -6.463 10.395 1.00 0.00 C ATOM 275 NZ LYS A 16 3.413 -6.973 11.246 1.00 0.00 N ATOM 0 H LYS A 16 7.090 -7.386 5.678 1.00 0.00 H new ATOM 0 HA LYS A 16 6.755 -4.578 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.479 -5.558 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.161 -6.817 7.678 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.119 -4.868 9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.009 -3.835 8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.734 -4.452 10.143 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.170 -5.585 8.930 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.877 -7.267 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.335 -6.141 11.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.764 -7.763 11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.074 -6.212 11.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.631 -7.304 10.646 1.00 0.00 H new ATOM 334 N SER A 20 10.984 -2.598 2.914 1.00 0.00 N ATOM 335 CA SER A 20 9.869 -3.228 2.222 1.00 0.00 C ATOM 336 C SER A 20 8.619 -3.014 3.068 1.00 0.00 C ATOM 337 O SER A 20 8.347 -3.792 3.980 1.00 0.00 O ATOM 338 CB SER A 20 10.125 -4.725 1.997 1.00 0.00 C ATOM 339 OG SER A 20 10.899 -4.925 0.831 1.00 0.00 O ATOM 0 HA SER A 20 9.743 -2.780 1.236 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.641 -5.145 2.860 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.176 -5.253 1.905 1.00 0.00 H new ATOM 0 HG SER A 20 11.055 -5.884 0.702 1.00 0.00 H new ATOM 345 N THR A 21 7.900 -1.935 2.767 1.00 0.00 N ATOM 346 CA THR A 21 6.638 -1.549 3.347 1.00 0.00 C ATOM 347 C THR A 21 5.633 -1.561 2.201 1.00 0.00 C ATOM 348 O THR A 21 5.456 -0.558 1.510 1.00 0.00 O ATOM 349 CB THR A 21 6.839 -0.162 3.968 1.00 0.00 C ATOM 350 OG1 THR A 21 7.645 -0.319 5.118 1.00 0.00 O ATOM 351 CG2 THR A 21 5.515 0.518 4.312 1.00 0.00 C ATOM 0 H THR A 21 8.215 -1.269 2.062 1.00 0.00 H new ATOM 0 HA THR A 21 6.273 -2.210 4.134 1.00 0.00 H new ATOM 0 HB THR A 21 7.327 0.490 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.288 0.418 5.170 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.712 1.497 4.749 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.921 0.638 3.406 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.966 -0.095 5.027 1.00 0.00 H new ATOM 359 N TRP A 22 5.010 -2.717 1.970 1.00 0.00 N ATOM 360 CA TRP A 22 3.945 -2.823 0.982 1.00 0.00 C ATOM 361 C TRP A 22 2.617 -2.518 1.644 1.00 0.00 C ATOM 362 O TRP A 22 2.448 -2.748 2.842 1.00 0.00 O ATOM 363 CB TRP A 22 3.907 -4.212 0.380 1.00 0.00 C ATOM 364 CG TRP A 22 5.010 -4.528 -0.576 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.161 -3.846 -0.768 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.003 -5.574 -1.577 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.848 -4.389 -1.831 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.183 -5.473 -2.367 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.078 -6.575 -1.908 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.436 -6.342 -3.438 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.343 -7.488 -2.940 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.516 -7.370 -3.710 1.00 0.00 C ATOM 0 H TRP A 22 5.226 -3.589 2.454 1.00 0.00 H new ATOM 0 HA TRP A 22 4.135 -2.107 0.183 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.932 -4.941 1.190 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.955 -4.340 -0.135 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.491 -3.004 -0.178 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.738 -4.034 -2.179 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.149 -6.644 -1.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.322 -6.224 -4.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.644 -8.285 -3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.709 -8.069 -4.510 1.00 0.00 H new ATOM 383 N VAL A 23 1.668 -2.025 0.855 1.00 0.00 N ATOM 384 CA VAL A 23 0.346 -1.663 1.330 1.00 0.00 C ATOM 385 C VAL A 23 -0.679 -1.900 0.216 1.00 0.00 C ATOM 386 O VAL A 23 -0.361 -1.767 -0.966 1.00 0.00 O ATOM 387 CB VAL A 23 0.336 -0.224 1.871 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.916 -0.123 3.289 1.00 0.00 C ATOM 389 CG2 VAL A 23 1.082 0.758 0.972 1.00 0.00 C ATOM 0 H VAL A 23 1.801 -1.865 -0.144 1.00 0.00 H new ATOM 0 HA VAL A 23 0.064 -2.298 2.170 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.719 0.050 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.885 0.914 3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.327 -0.740 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.949 -0.472 3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.039 1.756 1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.123 0.448 0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.618 0.773 -0.014 1.00 0.00 H new ATOM 399 N ILE A 24 -1.899 -2.286 0.609 1.00 0.00 N ATOM 400 CA ILE A 24 -3.047 -2.493 -0.266 1.00 0.00 C ATOM 401 C ILE A 24 -4.151 -1.507 0.073 1.00 0.00 C ATOM 402 O ILE A 24 -4.664 -1.522 1.195 1.00 0.00 O ATOM 403 CB ILE A 24 -3.604 -3.919 -0.179 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.615 -4.486 1.247 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.800 -4.823 -1.096 1.00 0.00 C ATOM 406 CD1 ILE A 24 -4.878 -5.298 1.535 1.00 0.00 C ATOM 0 H ILE A 24 -2.117 -2.469 1.589 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.696 -2.332 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.646 -3.878 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.738 -5.117 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.540 -3.667 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.191 -5.839 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.876 -4.462 -2.122 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.755 -4.818 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.841 -5.679 2.556 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.755 -4.661 1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.940 -6.134 0.838 1.00 0.00 H new ATOM 418 N LEU A 25 -4.487 -0.636 -0.881 1.00 0.00 N ATOM 419 CA LEU A 25 -5.484 0.405 -0.696 1.00 0.00 C ATOM 420 C LEU A 25 -6.561 0.192 -1.759 1.00 0.00 C ATOM 421 O LEU A 25 -6.302 0.420 -2.937 1.00 0.00 O ATOM 422 CB LEU A 25 -4.854 1.806 -0.722 1.00 0.00 C ATOM 423 CG LEU A 25 -3.425 1.868 -0.151 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.000 3.310 0.017 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.241 1.247 1.236 1.00 0.00 C ATOM 0 H LEU A 25 -4.067 -0.639 -1.810 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.944 0.339 0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.838 2.165 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.489 2.488 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.837 1.301 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.988 3.346 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.022 3.811 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.683 3.813 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.200 1.344 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.880 1.762 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.512 0.192 1.201 1.00 0.00 H new ATOM 437 N HIS A 26 -7.739 -0.301 -1.363 1.00 0.00 N ATOM 438 CA HIS A 26 -8.844 -0.591 -2.279 1.00 0.00 C ATOM 439 C HIS A 26 -8.441 -1.613 -3.353 1.00 0.00 C ATOM 440 O HIS A 26 -8.473 -1.314 -4.546 1.00 0.00 O ATOM 441 CB HIS A 26 -9.391 0.689 -2.936 1.00 0.00 C ATOM 442 CG HIS A 26 -9.938 1.723 -1.989 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.254 2.123 -1.916 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.195 2.602 -1.248 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.301 3.219 -1.141 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.069 3.556 -0.729 1.00 0.00 N ATOM 0 H HIS A 26 -7.953 -0.511 -0.388 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.640 -1.029 -1.677 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.593 1.145 -3.522 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.179 0.409 -3.635 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.127 2.563 -1.094 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.204 3.754 -0.885 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.820 4.356 -0.148 1.00 0.00 H new ATOM 454 N HIS A 27 -8.103 -2.838 -2.932 1.00 0.00 N ATOM 455 CA HIS A 27 -7.797 -3.954 -3.829 1.00 0.00 C ATOM 456 C HIS A 27 -6.776 -3.570 -4.909 1.00 0.00 C ATOM 457 O HIS A 27 -7.006 -3.757 -6.103 1.00 0.00 O ATOM 458 CB HIS A 27 -9.088 -4.536 -4.439 1.00 0.00 C ATOM 459 CG HIS A 27 -9.826 -5.516 -3.563 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.266 -6.623 -2.966 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.186 -5.674 -3.516 1.00 0.00 C ATOM 462 CE1 HIS A 27 -10.267 -7.417 -2.551 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.456 -6.882 -2.868 1.00 0.00 N ATOM 0 H HIS A 27 -8.034 -3.083 -1.944 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.328 -4.735 -3.230 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.760 -3.713 -4.682 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.837 -5.030 -5.378 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.920 -4.986 -3.910 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.133 -8.356 -2.034 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.375 -7.279 -2.674 1.00 0.00 H new ATOM 471 N LYS A 28 -5.613 -3.073 -4.491 1.00 0.00 N ATOM 472 CA LYS A 28 -4.514 -2.775 -5.394 1.00 0.00 C ATOM 473 C LYS A 28 -3.241 -2.790 -4.553 1.00 0.00 C ATOM 474 O LYS A 28 -3.237 -2.130 -3.516 1.00 0.00 O ATOM 475 CB LYS A 28 -4.728 -1.390 -6.020 1.00 0.00 C ATOM 476 CG LYS A 28 -4.351 -1.362 -7.503 1.00 0.00 C ATOM 477 CD LYS A 28 -5.584 -1.577 -8.392 1.00 0.00 C ATOM 478 CE LYS A 28 -5.980 -0.245 -9.048 1.00 0.00 C ATOM 479 NZ LYS A 28 -7.295 -0.328 -9.714 1.00 0.00 N ATOM 0 H LYS A 28 -5.411 -2.867 -3.513 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.449 -3.502 -6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.772 -1.099 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.132 -0.653 -5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.887 -0.406 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.612 -2.136 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.368 -2.322 -9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.412 -1.962 -7.797 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.005 0.539 -8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.221 0.040 -9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.525 0.591 -10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.264 -1.058 -10.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.024 -0.575 -9.014 1.00 0.00 H new ATOM 493 N VAL A 29 -2.203 -3.533 -4.954 1.00 0.00 N ATOM 494 CA VAL A 29 -0.973 -3.610 -4.172 1.00 0.00 C ATOM 495 C VAL A 29 -0.025 -2.515 -4.663 1.00 0.00 C ATOM 496 O VAL A 29 0.291 -2.442 -5.856 1.00 0.00 O ATOM 497 CB VAL A 29 -0.322 -5.009 -4.214 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.789 -5.068 -3.152 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.298 -6.147 -3.896 1.00 0.00 C ATOM 0 H VAL A 29 -2.194 -4.085 -5.812 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.210 -3.446 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 29 0.047 -5.147 -5.230 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.258 -6.052 -3.170 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.538 -4.305 -3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.360 -4.889 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.773 -7.101 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.706 -6.007 -2.895 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.110 -6.143 -4.623 1.00 0.00 H new ATOM 509 N TYR A 30 0.407 -1.666 -3.729 1.00 0.00 N ATOM 510 CA TYR A 30 1.322 -0.568 -3.971 1.00 0.00 C ATOM 511 C TYR A 30 2.618 -0.861 -3.218 1.00 0.00 C ATOM 512 O TYR A 30 2.606 -0.975 -1.988 1.00 0.00 O ATOM 513 CB TYR A 30 0.666 0.737 -3.507 1.00 0.00 C ATOM 514 CG TYR A 30 -0.665 1.017 -4.177 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.700 1.422 -5.519 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.873 0.825 -3.486 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.927 1.688 -6.149 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.085 1.232 -4.069 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.111 1.673 -5.401 1.00 0.00 C ATOM 520 OH TYR A 30 -4.277 2.095 -5.968 1.00 0.00 O ATOM 0 H TYR A 30 0.115 -1.733 -2.754 1.00 0.00 H new ATOM 0 HA TYR A 30 1.554 -0.460 -5.031 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.519 0.697 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.345 1.566 -3.705 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.222 1.530 -6.071 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.870 0.365 -2.509 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.957 1.903 -7.207 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.997 1.205 -3.492 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.004 2.020 -5.315 1.00 0.00 H new ATOM 530 N ASP A 31 3.723 -1.002 -3.956 1.00 0.00 N ATOM 531 CA ASP A 31 5.052 -1.067 -3.365 1.00 0.00 C ATOM 532 C ASP A 31 5.510 0.366 -3.174 1.00 0.00 C ATOM 533 O ASP A 31 5.727 1.085 -4.148 1.00 0.00 O ATOM 534 CB ASP A 31 6.036 -1.818 -4.266 1.00 0.00 C ATOM 535 CG ASP A 31 7.457 -1.790 -3.710 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.592 -1.760 -2.467 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.390 -1.854 -4.536 1.00 0.00 O ATOM 0 H ASP A 31 3.716 -1.073 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 31 5.017 -1.610 -2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.710 -2.852 -4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.027 -1.374 -5.261 1.00 0.00 H new ATOM 542 N LEU A 32 5.584 0.798 -1.919 1.00 0.00 N ATOM 543 CA LEU A 32 6.021 2.132 -1.587 1.00 0.00 C ATOM 544 C LEU A 32 7.505 2.038 -1.232 1.00 0.00 C ATOM 545 O LEU A 32 8.333 1.947 -2.133 1.00 0.00 O ATOM 546 CB LEU A 32 5.102 2.679 -0.491 1.00 0.00 C ATOM 547 CG LEU A 32 3.634 2.772 -0.958 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.840 3.342 0.197 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.444 3.655 -2.200 1.00 0.00 C ATOM 0 H LEU A 32 5.341 0.226 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 32 5.944 2.849 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.163 2.036 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.449 3.667 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 32 3.296 1.776 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.791 3.426 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.929 2.683 1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.227 4.329 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.389 3.676 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.783 4.668 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.025 3.249 -3.028 1.00 0.00 H new ATOM 561 N THR A 33 7.855 2.051 0.059 1.00 0.00 N ATOM 562 CA THR A 33 9.208 1.933 0.598 1.00 0.00 C ATOM 563 C THR A 33 10.066 3.151 0.233 1.00 0.00 C ATOM 564 O THR A 33 10.435 3.948 1.090 1.00 0.00 O ATOM 565 CB THR A 33 9.823 0.557 0.278 1.00 0.00 C ATOM 566 OG1 THR A 33 9.555 -0.269 1.387 1.00 0.00 O ATOM 567 CG2 THR A 33 11.343 0.551 0.095 1.00 0.00 C ATOM 0 H THR A 33 7.157 2.150 0.797 1.00 0.00 H new ATOM 0 HA THR A 33 9.165 1.957 1.687 1.00 0.00 H new ATOM 0 HB THR A 33 9.388 0.230 -0.666 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.387 -0.440 1.876 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.679 -0.462 -0.127 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.613 1.211 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.821 0.900 1.010 1.00 0.00 H new ATOM 575 N LYS A 34 10.334 3.342 -1.053 1.00 0.00 N ATOM 576 CA LYS A 34 11.075 4.477 -1.582 1.00 0.00 C ATOM 577 C LYS A 34 10.189 5.719 -1.734 1.00 0.00 C ATOM 578 O LYS A 34 10.641 6.724 -2.269 1.00 0.00 O ATOM 579 CB LYS A 34 11.742 4.063 -2.901 1.00 0.00 C ATOM 580 CG LYS A 34 12.776 2.952 -2.644 1.00 0.00 C ATOM 581 CD LYS A 34 14.069 3.153 -3.451 1.00 0.00 C ATOM 582 CE LYS A 34 13.963 2.657 -4.899 1.00 0.00 C ATOM 583 NZ LYS A 34 14.087 1.186 -4.998 1.00 0.00 N ATOM 0 H LYS A 34 10.032 2.691 -1.777 1.00 0.00 H new ATOM 0 HA LYS A 34 11.852 4.763 -0.873 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.987 3.713 -3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.228 4.925 -3.358 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.016 2.922 -1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.339 1.987 -2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.326 4.212 -3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.885 2.629 -2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.006 2.968 -5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.742 3.127 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.009 0.897 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.010 0.889 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.329 0.736 -4.447 1.00 0.00 H new ATOM 597 N PHE A 35 8.951 5.660 -1.233 1.00 0.00 N ATOM 598 CA PHE A 35 8.012 6.772 -1.193 1.00 0.00 C ATOM 599 C PHE A 35 7.785 7.224 0.251 1.00 0.00 C ATOM 600 O PHE A 35 7.150 8.246 0.482 1.00 0.00 O ATOM 601 CB PHE A 35 6.709 6.317 -1.860 1.00 0.00 C ATOM 602 CG PHE A 35 5.535 7.273 -1.751 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.588 8.538 -2.364 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.406 6.918 -0.992 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.487 9.406 -2.286 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.285 7.762 -0.952 1.00 0.00 C ATOM 607 CZ PHE A 35 3.327 9.008 -1.600 1.00 0.00 C ATOM 0 H PHE A 35 8.567 4.804 -0.832 1.00 0.00 H new ATOM 0 HA PHE A 35 8.409 7.631 -1.733 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.909 6.138 -2.916 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.416 5.362 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.477 8.842 -2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.401 5.991 -0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.532 10.379 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.394 7.455 -0.425 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.467 9.660 -1.571 1.00 0.00 H new ATOM 617 N LEU A 36 8.304 6.482 1.235 1.00 0.00 N ATOM 618 CA LEU A 36 8.063 6.755 2.643 1.00 0.00 C ATOM 619 C LEU A 36 8.353 8.225 2.992 1.00 0.00 C ATOM 620 O LEU A 36 7.537 8.885 3.627 1.00 0.00 O ATOM 621 CB LEU A 36 8.924 5.808 3.490 1.00 0.00 C ATOM 622 CG LEU A 36 8.499 4.326 3.568 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.463 3.540 4.467 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.063 4.148 4.062 1.00 0.00 C ATOM 0 H LEU A 36 8.904 5.674 1.070 1.00 0.00 H new ATOM 0 HA LEU A 36 7.009 6.581 2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.942 5.845 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.955 6.202 4.506 1.00 0.00 H new ATOM 0 HG LEU A 36 8.541 3.934 2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.150 2.497 4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.472 3.599 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.453 3.965 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.819 3.086 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.966 4.575 5.060 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.379 4.655 3.382 1.00 0.00 H new ATOM 636 N GLU A 37 9.514 8.734 2.567 1.00 0.00 N ATOM 637 CA GLU A 37 9.920 10.114 2.818 1.00 0.00 C ATOM 638 C GLU A 37 9.124 11.079 1.926 1.00 0.00 C ATOM 639 O GLU A 37 8.636 12.104 2.394 1.00 0.00 O ATOM 640 CB GLU A 37 11.447 10.235 2.626 1.00 0.00 C ATOM 641 CG GLU A 37 12.158 10.959 3.783 1.00 0.00 C ATOM 642 CD GLU A 37 12.219 12.468 3.583 1.00 0.00 C ATOM 643 OE1 GLU A 37 12.950 12.875 2.654 1.00 0.00 O ATOM 644 OE2 GLU A 37 11.564 13.177 4.374 1.00 0.00 O ATOM 0 H GLU A 37 10.199 8.195 2.037 1.00 0.00 H new ATOM 0 HA GLU A 37 9.694 10.394 3.847 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.871 9.237 2.518 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.647 10.769 1.697 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.639 10.741 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.171 10.569 3.883 1.00 0.00 H new ATOM 651 N GLU A 38 8.969 10.742 0.638 1.00 0.00 N ATOM 652 CA GLU A 38 8.251 11.583 -0.311 1.00 0.00 C ATOM 653 C GLU A 38 6.801 11.829 0.116 1.00 0.00 C ATOM 654 O GLU A 38 6.271 12.910 -0.134 1.00 0.00 O ATOM 655 CB GLU A 38 8.258 10.945 -1.705 1.00 0.00 C ATOM 656 CG GLU A 38 9.540 11.182 -2.509 1.00 0.00 C ATOM 657 CD GLU A 38 9.275 10.898 -3.984 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.787 11.831 -4.657 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.511 9.745 -4.402 1.00 0.00 O ATOM 0 H GLU A 38 9.338 9.882 0.233 1.00 0.00 H new ATOM 0 HA GLU A 38 8.769 12.542 -0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.105 9.871 -1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.412 11.334 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.878 12.210 -2.381 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.337 10.536 -2.141 1.00 0.00 H new ATOM 666 N HIS A 39 6.143 10.815 0.689 1.00 0.00 N ATOM 667 CA HIS A 39 4.742 10.853 1.078 1.00 0.00 C ATOM 668 C HIS A 39 4.424 12.158 1.816 1.00 0.00 C ATOM 669 O HIS A 39 4.889 12.327 2.945 1.00 0.00 O ATOM 670 CB HIS A 39 4.416 9.631 1.947 1.00 0.00 C ATOM 671 CG HIS A 39 3.000 9.598 2.475 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.650 9.521 3.800 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.841 9.584 1.747 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.311 9.464 3.865 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.765 9.487 2.636 1.00 0.00 N ATOM 0 H HIS A 39 6.590 9.922 0.898 1.00 0.00 H new ATOM 0 HA HIS A 39 4.120 10.820 0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.594 8.728 1.363 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.106 9.606 2.791 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.292 9.509 4.592 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.769 9.638 0.671 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.746 9.407 4.784 1.00 0.00 H new ATOM 683 N PRO A 40 3.642 13.077 1.217 1.00 0.00 N ATOM 684 CA PRO A 40 3.313 14.354 1.829 1.00 0.00 C ATOM 685 C PRO A 40 2.347 14.101 2.989 1.00 0.00 C ATOM 686 O PRO A 40 1.133 14.241 2.858 1.00 0.00 O ATOM 687 CB PRO A 40 2.735 15.227 0.711 1.00 0.00 C ATOM 688 CG PRO A 40 2.196 14.220 -0.296 1.00 0.00 C ATOM 689 CD PRO A 40 3.044 12.964 -0.105 1.00 0.00 C ATOM 0 HA PRO A 40 4.170 14.873 2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.947 15.882 1.082 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.498 15.866 0.268 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.141 14.013 -0.118 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.279 14.599 -1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.432 12.065 -0.180 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.812 12.892 -0.875 1.00 0.00 H new ATOM 697 N GLY A 41 2.920 13.671 4.111 1.00 0.00 N ATOM 698 CA GLY A 41 2.214 13.147 5.264 1.00 0.00 C ATOM 699 C GLY A 41 3.165 12.354 6.163 1.00 0.00 C ATOM 700 O GLY A 41 2.997 12.374 7.380 1.00 0.00 O ATOM 0 H GLY A 41 3.932 13.681 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.770 13.967 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.396 12.506 4.936 1.00 0.00 H new ATOM 704 N GLY A 42 4.175 11.673 5.591 1.00 0.00 N ATOM 705 CA GLY A 42 5.251 11.070 6.372 1.00 0.00 C ATOM 706 C GLY A 42 5.543 9.609 6.099 1.00 0.00 C ATOM 707 O GLY A 42 4.733 8.908 5.493 1.00 0.00 O ATOM 0 H GLY A 42 4.261 11.531 4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.163 11.640 6.194 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.008 11.178 7.429 1.00 0.00 H new ATOM 711 N GLU A 43 6.655 9.137 6.674 1.00 0.00 N ATOM 712 CA GLU A 43 6.987 7.727 6.679 1.00 0.00 C ATOM 713 C GLU A 43 6.139 7.021 7.739 1.00 0.00 C ATOM 714 O GLU A 43 5.463 6.047 7.425 1.00 0.00 O ATOM 715 CB GLU A 43 8.496 7.537 6.964 1.00 0.00 C ATOM 716 CG GLU A 43 8.963 6.064 7.000 1.00 0.00 C ATOM 717 CD GLU A 43 9.325 5.460 8.354 1.00 0.00 C ATOM 718 OE1 GLU A 43 9.155 6.148 9.376 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.786 4.291 8.330 1.00 0.00 O ATOM 0 H GLU A 43 7.341 9.727 7.144 1.00 0.00 H new ATOM 0 HA GLU A 43 6.773 7.292 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.066 8.067 6.201 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.733 8.003 7.920 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.174 5.453 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.834 5.974 6.351 1.00 0.00 H new ATOM 726 N GLU A 44 6.168 7.499 8.989 1.00 0.00 N ATOM 727 CA GLU A 44 5.639 6.751 10.130 1.00 0.00 C ATOM 728 C GLU A 44 4.187 6.335 9.890 1.00 0.00 C ATOM 729 O GLU A 44 3.872 5.147 9.887 1.00 0.00 O ATOM 730 CB GLU A 44 5.795 7.546 11.434 1.00 0.00 C ATOM 731 CG GLU A 44 5.573 6.636 12.653 1.00 0.00 C ATOM 732 CD GLU A 44 5.624 7.418 13.960 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.609 8.165 14.135 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.673 7.264 14.756 1.00 0.00 O ATOM 0 H GLU A 44 6.557 8.410 9.234 1.00 0.00 H new ATOM 0 HA GLU A 44 6.225 5.838 10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.790 7.988 11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.080 8.368 11.452 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.607 6.139 12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.333 5.855 12.667 1.00 0.00 H new ATOM 741 N VAL A 45 3.313 7.313 9.627 1.00 0.00 N ATOM 742 CA VAL A 45 1.914 7.067 9.323 1.00 0.00 C ATOM 743 C VAL A 45 1.772 6.010 8.229 1.00 0.00 C ATOM 744 O VAL A 45 0.916 5.144 8.309 1.00 0.00 O ATOM 745 CB VAL A 45 1.206 8.383 8.950 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.213 9.365 10.127 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.779 9.066 7.698 1.00 0.00 C ATOM 0 H VAL A 45 3.566 8.301 9.621 1.00 0.00 H new ATOM 0 HA VAL A 45 1.426 6.672 10.214 1.00 0.00 H new ATOM 0 HB VAL A 45 0.181 8.101 8.711 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.707 10.285 9.836 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.695 8.919 10.976 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.242 9.590 10.407 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.228 9.986 7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.831 9.301 7.861 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.685 8.396 6.843 1.00 0.00 H new ATOM 757 N LEU A 46 2.629 6.045 7.212 1.00 0.00 N ATOM 758 CA LEU A 46 2.586 5.087 6.125 1.00 0.00 C ATOM 759 C LEU A 46 3.029 3.711 6.624 1.00 0.00 C ATOM 760 O LEU A 46 2.427 2.698 6.270 1.00 0.00 O ATOM 761 CB LEU A 46 3.459 5.656 4.990 1.00 0.00 C ATOM 762 CG LEU A 46 3.304 5.027 3.604 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.795 3.574 3.580 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.863 5.179 3.113 1.00 0.00 C ATOM 0 H LEU A 46 3.370 6.740 7.124 1.00 0.00 H new ATOM 0 HA LEU A 46 1.578 4.939 5.739 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.247 6.722 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.503 5.563 5.288 1.00 0.00 H new ATOM 0 HG LEU A 46 3.944 5.564 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.668 3.163 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.849 3.542 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.217 2.983 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.765 4.727 2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.187 4.681 3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.608 6.237 3.055 1.00 0.00 H new ATOM 776 N ARG A 47 4.074 3.669 7.454 1.00 0.00 N ATOM 777 CA ARG A 47 4.647 2.426 7.938 1.00 0.00 C ATOM 778 C ARG A 47 3.873 1.810 9.106 1.00 0.00 C ATOM 779 O ARG A 47 4.202 0.698 9.511 1.00 0.00 O ATOM 780 CB ARG A 47 6.142 2.594 8.273 1.00 0.00 C ATOM 781 CG ARG A 47 6.914 1.368 7.764 1.00 0.00 C ATOM 782 CD ARG A 47 8.008 0.848 8.697 1.00 0.00 C ATOM 783 NE ARG A 47 9.188 1.723 8.692 1.00 0.00 N ATOM 784 CZ ARG A 47 10.462 1.335 8.840 1.00 0.00 C ATOM 785 NH1 ARG A 47 10.777 0.052 9.087 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.409 2.266 8.722 1.00 0.00 N ATOM 0 H ARG A 47 4.543 4.503 7.806 1.00 0.00 H new ATOM 0 HA ARG A 47 4.559 1.713 7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.531 3.501 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.276 2.702 9.349 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.203 0.562 7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.367 1.618 6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.616 0.772 9.711 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.299 -0.157 8.392 1.00 0.00 H new ATOM 0 HE ARG A 47 9.022 2.721 8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.039 -0.648 9.165 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.754 -0.221 9.196 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.152 3.233 8.526 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.391 2.011 8.828 1.00 0.00 H new ATOM 800 N GLU A 48 2.861 2.507 9.634 1.00 0.00 N ATOM 801 CA GLU A 48 2.053 2.077 10.758 1.00 0.00 C ATOM 802 C GLU A 48 1.553 0.650 10.585 1.00 0.00 C ATOM 803 O GLU A 48 1.801 -0.208 11.431 1.00 0.00 O ATOM 804 CB GLU A 48 0.878 3.052 10.911 1.00 0.00 C ATOM 805 CG GLU A 48 1.123 4.117 11.985 1.00 0.00 C ATOM 806 CD GLU A 48 0.649 3.619 13.344 1.00 0.00 C ATOM 807 OE1 GLU A 48 1.448 2.933 14.015 1.00 0.00 O ATOM 808 OE2 GLU A 48 -0.528 3.900 13.658 1.00 0.00 O ATOM 0 H GLU A 48 2.580 3.418 9.270 1.00 0.00 H new ATOM 0 HA GLU A 48 2.666 2.083 11.659 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.693 3.543 9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.023 2.491 11.161 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.185 4.360 12.030 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.597 5.035 11.723 1.00 0.00 H new ATOM 815 N GLN A 49 0.826 0.400 9.495 1.00 0.00 N ATOM 816 CA GLN A 49 0.325 -0.941 9.254 1.00 0.00 C ATOM 817 C GLN A 49 1.425 -1.724 8.549 1.00 0.00 C ATOM 818 O GLN A 49 2.080 -2.568 9.161 1.00 0.00 O ATOM 819 CB GLN A 49 -1.000 -0.879 8.482 1.00 0.00 C ATOM 820 CG GLN A 49 -2.156 -0.364 9.360 1.00 0.00 C ATOM 821 CD GLN A 49 -2.909 -1.449 10.139 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.262 -2.145 11.071 1.00 0.00 O flip ATOM 823 NE2 GLN A 49 -4.103 -1.631 9.939 1.00 0.00 N flip ATOM 0 H GLN A 49 0.579 1.091 8.787 1.00 0.00 H new ATOM 0 HA GLN A 49 0.089 -1.463 10.181 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.885 -0.228 7.616 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.246 -1.871 8.104 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.758 0.362 10.069 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.866 0.166 8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.588 -1.092 9.222 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.613 -2.322 10.489 1.00 0.00 H new ATOM 832 N ALA A 50 1.642 -1.380 7.279 1.00 0.00 N ATOM 833 CA ALA A 50 2.585 -2.023 6.375 1.00 0.00 C ATOM 834 C ALA A 50 2.374 -3.545 6.237 1.00 0.00 C ATOM 835 O ALA A 50 1.760 -4.206 7.070 1.00 0.00 O ATOM 836 CB ALA A 50 4.008 -1.641 6.789 1.00 0.00 C ATOM 0 H ALA A 50 1.140 -0.610 6.836 1.00 0.00 H new ATOM 0 HA ALA A 50 2.402 -1.652 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.723 -2.118 6.118 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.125 -0.559 6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.192 -1.974 7.810 1.00 0.00 H new ATOM 842 N GLY A 51 2.860 -4.120 5.137 1.00 0.00 N ATOM 843 CA GLY A 51 2.539 -5.494 4.779 1.00 0.00 C ATOM 844 C GLY A 51 1.048 -5.603 4.505 1.00 0.00 C ATOM 845 O GLY A 51 0.368 -6.496 5.005 1.00 0.00 O ATOM 0 H GLY A 51 3.480 -3.649 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.106 -5.795 3.898 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.823 -6.169 5.587 1.00 0.00 H new ATOM 849 N GLY A 52 0.529 -4.680 3.699 1.00 0.00 N ATOM 850 CA GLY A 52 -0.868 -4.636 3.387 1.00 0.00 C ATOM 851 C GLY A 52 -1.607 -3.859 4.462 1.00 0.00 C ATOM 852 O GLY A 52 -1.043 -3.043 5.189 1.00 0.00 O ATOM 0 H GLY A 52 1.079 -3.947 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.019 -4.165 2.415 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.267 -5.648 3.317 1.00 0.00 H new ATOM 856 N ASP A 53 -2.897 -4.147 4.487 1.00 0.00 N ATOM 857 CA ASP A 53 -3.870 -3.789 5.503 1.00 0.00 C ATOM 858 C ASP A 53 -3.834 -2.298 5.841 1.00 0.00 C ATOM 859 O ASP A 53 -3.795 -1.906 7.002 1.00 0.00 O ATOM 860 CB ASP A 53 -3.676 -4.721 6.716 1.00 0.00 C ATOM 861 CG ASP A 53 -4.978 -5.095 7.409 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.946 -5.376 6.670 1.00 0.00 O ATOM 863 OD2 ASP A 53 -4.951 -5.198 8.654 1.00 0.00 O ATOM 0 H ASP A 53 -3.326 -4.683 3.733 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.880 -3.942 5.124 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.174 -5.631 6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.017 -4.235 7.436 1.00 0.00 H new ATOM 868 N ALA A 54 -3.829 -1.450 4.806 1.00 0.00 N ATOM 869 CA ALA A 54 -3.751 -0.011 4.965 1.00 0.00 C ATOM 870 C ALA A 54 -4.957 0.687 4.334 1.00 0.00 C ATOM 871 O ALA A 54 -5.035 1.911 4.404 1.00 0.00 O ATOM 872 CB ALA A 54 -2.433 0.444 4.346 1.00 0.00 C ATOM 0 H ALA A 54 -3.880 -1.754 3.834 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.776 0.260 6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.338 1.525 4.447 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.603 -0.043 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.415 0.175 3.290 1.00 0.00 H new ATOM 878 N THR A 55 -5.893 -0.055 3.723 1.00 0.00 N ATOM 879 CA THR A 55 -7.108 0.519 3.153 1.00 0.00 C ATOM 880 C THR A 55 -7.841 1.352 4.210 1.00 0.00 C ATOM 881 O THR A 55 -8.033 2.547 4.011 1.00 0.00 O ATOM 882 CB THR A 55 -8.005 -0.572 2.537 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.370 -1.171 1.419 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.314 0.030 2.019 1.00 0.00 C ATOM 0 H THR A 55 -5.824 -1.067 3.613 1.00 0.00 H new ATOM 0 HA THR A 55 -6.834 1.188 2.337 1.00 0.00 H new ATOM 0 HB THR A 55 -8.194 -1.305 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.408 -1.244 1.590 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.932 -0.758 1.588 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.849 0.501 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.094 0.776 1.256 1.00 0.00 H new ATOM 892 N GLU A 56 -8.212 0.741 5.337 1.00 0.00 N ATOM 893 CA GLU A 56 -8.886 1.390 6.449 1.00 0.00 C ATOM 894 C GLU A 56 -8.205 2.717 6.789 1.00 0.00 C ATOM 895 O GLU A 56 -8.847 3.759 6.851 1.00 0.00 O ATOM 896 CB GLU A 56 -8.904 0.447 7.664 1.00 0.00 C ATOM 897 CG GLU A 56 -9.864 -0.746 7.500 1.00 0.00 C ATOM 898 CD GLU A 56 -9.267 -1.987 6.837 1.00 0.00 C ATOM 899 OE1 GLU A 56 -8.541 -1.822 5.830 1.00 0.00 O ATOM 900 OE2 GLU A 56 -9.595 -3.086 7.331 1.00 0.00 O ATOM 0 H GLU A 56 -8.043 -0.252 5.500 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.915 1.610 6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.896 0.071 7.837 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.189 1.014 8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.238 -1.026 8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.723 -0.420 6.913 1.00 0.00 H new ATOM 907 N ASN A 57 -6.888 2.675 6.980 1.00 0.00 N ATOM 908 CA ASN A 57 -6.102 3.839 7.372 1.00 0.00 C ATOM 909 C ASN A 57 -6.131 4.909 6.269 1.00 0.00 C ATOM 910 O ASN A 57 -6.347 6.091 6.523 1.00 0.00 O ATOM 911 CB ASN A 57 -4.676 3.373 7.705 1.00 0.00 C ATOM 912 CG ASN A 57 -4.096 4.109 8.910 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.271 5.313 9.060 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.382 3.389 9.774 1.00 0.00 N ATOM 0 H ASN A 57 -6.334 1.826 6.866 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.529 4.306 8.260 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.683 2.301 7.905 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.032 3.532 6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.963 3.838 10.588 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.255 2.389 9.621 1.00 0.00 H new ATOM 921 N PHE A 58 -5.944 4.484 5.019 1.00 0.00 N ATOM 922 CA PHE A 58 -6.022 5.329 3.831 1.00 0.00 C ATOM 923 C PHE A 58 -7.401 5.983 3.669 1.00 0.00 C ATOM 924 O PHE A 58 -7.488 7.113 3.183 1.00 0.00 O ATOM 925 CB PHE A 58 -5.640 4.486 2.606 1.00 0.00 C ATOM 926 CG PHE A 58 -5.901 5.118 1.247 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.171 4.985 0.657 1.00 0.00 C ATOM 928 CD2 PHE A 58 -4.885 5.806 0.555 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.442 5.593 -0.580 1.00 0.00 C ATOM 930 CE2 PHE A 58 -5.144 6.374 -0.704 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.425 6.270 -1.272 1.00 0.00 C ATOM 0 H PHE A 58 -5.727 3.511 4.801 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.320 6.156 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.579 4.245 2.674 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.185 3.543 2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.940 4.414 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.903 5.897 0.994 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.436 5.540 -1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.358 6.891 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.627 6.709 -2.238 1.00 0.00 H new ATOM 941 N GLU A 59 -8.464 5.270 4.043 1.00 0.00 N ATOM 942 CA GLU A 59 -9.841 5.740 3.959 1.00 0.00 C ATOM 943 C GLU A 59 -10.181 6.641 5.141 1.00 0.00 C ATOM 944 O GLU A 59 -10.947 7.584 4.974 1.00 0.00 O ATOM 945 CB GLU A 59 -10.799 4.536 3.950 1.00 0.00 C ATOM 946 CG GLU A 59 -10.942 3.887 2.569 1.00 0.00 C ATOM 947 CD GLU A 59 -12.117 4.469 1.790 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.089 5.692 1.536 1.00 0.00 O ATOM 949 OE2 GLU A 59 -13.026 3.676 1.458 1.00 0.00 O ATOM 0 H GLU A 59 -8.386 4.326 4.422 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.951 6.312 3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.441 3.790 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.781 4.859 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.022 4.032 2.002 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.079 2.812 2.685 1.00 0.00 H new ATOM 956 N ASP A 60 -9.615 6.380 6.324 1.00 0.00 N ATOM 957 CA ASP A 60 -9.793 7.234 7.492 1.00 0.00 C ATOM 958 C ASP A 60 -9.481 8.689 7.128 1.00 0.00 C ATOM 959 O ASP A 60 -10.293 9.586 7.348 1.00 0.00 O ATOM 960 CB ASP A 60 -8.908 6.738 8.639 1.00 0.00 C ATOM 961 CG ASP A 60 -9.127 7.589 9.881 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.086 7.279 10.619 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.335 8.539 10.062 1.00 0.00 O ATOM 0 H ASP A 60 -9.021 5.569 6.494 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.830 7.188 7.825 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.137 5.695 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.860 6.778 8.342 1.00 0.00 H new ATOM 968 N VAL A 61 -8.329 8.904 6.485 1.00 0.00 N ATOM 969 CA VAL A 61 -7.988 10.202 5.911 1.00 0.00 C ATOM 970 C VAL A 61 -8.853 10.566 4.702 1.00 0.00 C ATOM 971 O VAL A 61 -9.095 11.747 4.462 1.00 0.00 O ATOM 972 CB VAL A 61 -6.489 10.319 5.608 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.676 10.403 6.900 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.950 9.188 4.754 1.00 0.00 C ATOM 0 H VAL A 61 -7.615 8.188 6.350 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.218 10.943 6.677 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.381 11.239 5.033 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.616 10.485 6.658 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.987 11.279 7.470 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.844 9.505 7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.884 9.338 4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.104 8.239 5.268 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.474 9.172 3.798 1.00 0.00 H new ATOM 984 N GLY A 62 -9.300 9.578 3.924 1.00 0.00 N ATOM 985 CA GLY A 62 -10.158 9.811 2.771 1.00 0.00 C ATOM 986 C GLY A 62 -9.392 10.614 1.724 1.00 0.00 C ATOM 987 O GLY A 62 -9.815 11.694 1.316 1.00 0.00 O ATOM 0 H GLY A 62 -9.075 8.595 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.485 8.861 2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.055 10.350 3.074 1.00 0.00 H new ATOM 991 N HIS A 63 -8.238 10.074 1.329 1.00 0.00 N ATOM 992 CA HIS A 63 -7.251 10.733 0.487 1.00 0.00 C ATOM 993 C HIS A 63 -7.833 11.471 -0.722 1.00 0.00 C ATOM 994 O HIS A 63 -8.668 10.943 -1.458 1.00 0.00 O ATOM 995 CB HIS A 63 -6.260 9.690 -0.023 1.00 0.00 C ATOM 996 CG HIS A 63 -5.153 9.367 0.936 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.197 8.391 1.896 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.876 9.865 0.899 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.963 8.298 2.415 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.111 9.169 1.840 1.00 0.00 N ATOM 0 H HIS A 63 -7.959 9.131 1.599 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.779 11.488 1.116 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.803 8.774 -0.255 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.824 10.047 -0.956 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.012 7.840 2.165 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.523 10.657 0.255 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.686 7.608 3.199 1.00 0.00 H new ATOM 1008 N SER A 64 -7.299 12.668 -0.964 1.00 0.00 N ATOM 1009 CA SER A 64 -7.581 13.504 -2.111 1.00 0.00 C ATOM 1010 C SER A 64 -7.324 12.793 -3.447 1.00 0.00 C ATOM 1011 O SER A 64 -6.567 11.825 -3.545 1.00 0.00 O ATOM 1012 CB SER A 64 -6.721 14.765 -1.971 1.00 0.00 C ATOM 1013 OG SER A 64 -6.865 15.233 -0.643 1.00 0.00 O ATOM 0 H SER A 64 -6.625 13.094 -0.328 1.00 0.00 H new ATOM 0 HA SER A 64 -8.642 13.755 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.676 14.543 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.039 15.527 -2.683 1.00 0.00 H new ATOM 0 HG SER A 64 -6.324 16.041 -0.520 1.00 0.00 H new ATOM 1019 N THR A 65 -7.958 13.310 -4.499 1.00 0.00 N ATOM 1020 CA THR A 65 -7.906 12.730 -5.837 1.00 0.00 C ATOM 1021 C THR A 65 -6.459 12.653 -6.355 1.00 0.00 C ATOM 1022 O THR A 65 -6.067 11.656 -6.962 1.00 0.00 O ATOM 1023 CB THR A 65 -8.909 13.462 -6.759 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.875 12.544 -7.232 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.289 14.198 -7.948 1.00 0.00 C ATOM 0 H THR A 65 -8.529 14.154 -4.443 1.00 0.00 H new ATOM 0 HA THR A 65 -8.231 11.690 -5.817 1.00 0.00 H new ATOM 0 HB THR A 65 -9.357 14.237 -6.136 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.511 13.009 -7.815 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.076 14.677 -8.530 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.594 14.955 -7.585 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.754 13.487 -8.577 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.659 13.681 -6.051 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.226 13.725 -6.329 1.00 0.00 C ATOM 1035 C ASP A 66 -3.563 12.427 -5.869 1.00 0.00 C ATOM 1036 O ASP A 66 -2.952 11.687 -6.637 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.607 14.928 -5.592 1.00 0.00 C ATOM 1038 CG ASP A 66 -2.959 15.900 -6.564 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -1.814 15.611 -6.965 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.626 16.911 -6.872 1.00 0.00 O ATOM 0 H ASP A 66 -6.003 14.525 -5.593 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.065 13.834 -7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.379 15.443 -5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.863 14.575 -4.877 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.725 12.131 -4.580 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.194 10.922 -3.989 1.00 0.00 C ATOM 1047 C ALA A 67 -3.744 9.693 -4.696 1.00 0.00 C ATOM 1048 O ALA A 67 -2.970 8.795 -5.002 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.515 10.885 -2.502 1.00 0.00 C ATOM 0 H ALA A 67 -4.229 12.728 -3.924 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.111 10.918 -4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.112 9.971 -2.065 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.068 11.750 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.596 10.907 -2.362 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.052 9.643 -4.969 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.643 8.507 -5.672 1.00 0.00 C ATOM 1057 C ARG A 68 -4.902 8.187 -6.972 1.00 0.00 C ATOM 1058 O ARG A 68 -4.571 7.022 -7.201 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.147 8.702 -5.908 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.897 8.708 -4.568 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.914 7.562 -4.459 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.194 7.911 -5.095 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.293 7.137 -5.066 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.205 5.874 -4.633 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -12.472 7.629 -5.464 1.00 0.00 N ATOM 0 H ARG A 68 -5.716 10.374 -4.714 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.529 7.640 -5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.321 9.640 -6.435 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.529 7.903 -6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.178 8.630 -3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.413 9.660 -4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.506 6.667 -4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.082 7.323 -3.409 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.252 8.800 -5.591 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.306 5.501 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.037 5.284 -4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.538 8.593 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.304 7.040 -5.441 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.628 9.183 -7.823 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.839 8.890 -9.013 1.00 0.00 C ATOM 1081 C GLU A 69 -2.395 8.534 -8.639 1.00 0.00 C ATOM 1082 O GLU A 69 -1.826 7.595 -9.196 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.932 9.978 -10.089 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.397 11.353 -9.687 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.212 12.212 -10.930 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.111 12.117 -11.516 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -4.192 12.888 -11.304 1.00 0.00 O ATOM 0 H GLU A 69 -4.926 10.152 -7.715 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.280 8.009 -9.479 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.387 9.640 -10.970 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.976 10.086 -10.382 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.089 11.837 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.448 11.246 -9.162 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.809 9.243 -7.670 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.442 8.993 -7.238 1.00 0.00 C ATOM 1096 C LEU A 70 -0.259 7.533 -6.808 1.00 0.00 C ATOM 1097 O LEU A 70 0.754 6.917 -7.128 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.037 9.979 -6.133 1.00 0.00 C ATOM 1099 CG LEU A 70 1.473 10.266 -6.148 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.825 11.271 -7.254 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.913 10.857 -4.806 1.00 0.00 C ATOM 0 H LEU A 70 -2.271 10.002 -7.169 1.00 0.00 H new ATOM 0 HA LEU A 70 0.226 9.159 -8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.585 10.912 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.320 9.573 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 70 1.987 9.323 -6.331 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.899 11.459 -7.246 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.535 10.863 -8.222 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.291 12.205 -7.080 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.984 11.056 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.375 11.788 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.693 10.149 -4.007 1.00 0.00 H new ATOM 1113 N SER A 71 -1.251 6.945 -6.133 1.00 0.00 N ATOM 1114 CA SER A 71 -1.284 5.525 -5.846 1.00 0.00 C ATOM 1115 C SER A 71 -1.018 4.723 -7.118 1.00 0.00 C ATOM 1116 O SER A 71 -0.158 3.849 -7.125 1.00 0.00 O ATOM 1117 CB SER A 71 -2.637 5.150 -5.231 1.00 0.00 C ATOM 1118 OG SER A 71 -3.020 6.099 -4.257 1.00 0.00 O ATOM 0 H SER A 71 -2.057 7.454 -5.771 1.00 0.00 H new ATOM 0 HA SER A 71 -0.501 5.285 -5.127 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.395 5.096 -6.012 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.575 4.161 -4.778 1.00 0.00 H new ATOM 0 HG SER A 71 -3.886 5.845 -3.876 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.729 5.025 -8.211 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.534 4.322 -9.471 1.00 0.00 C ATOM 1126 C LYS A 72 -0.067 4.370 -9.900 1.00 0.00 C ATOM 1127 O LYS A 72 0.487 3.358 -10.304 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.454 4.845 -10.586 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.282 3.696 -11.187 1.00 0.00 C ATOM 1130 CD LYS A 72 -3.934 4.129 -12.508 1.00 0.00 C ATOM 1131 CE LYS A 72 -4.791 3.018 -13.141 1.00 0.00 C ATOM 1132 NZ LYS A 72 -3.986 2.017 -13.876 1.00 0.00 N ATOM 0 H LYS A 72 -2.443 5.753 -8.242 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.810 3.282 -9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.120 5.610 -10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.857 5.317 -11.366 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.642 2.831 -11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.052 3.388 -10.480 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.557 5.006 -12.331 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.157 4.427 -13.211 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.360 2.515 -12.359 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.513 3.467 -13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.615 1.294 -14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.462 2.487 -14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.314 1.565 -13.223 1.00 0.00 H new ATOM 1146 N THR A 73 0.585 5.521 -9.777 1.00 0.00 N ATOM 1147 CA THR A 73 2.008 5.643 -10.067 1.00 0.00 C ATOM 1148 C THR A 73 2.886 4.656 -9.265 1.00 0.00 C ATOM 1149 O THR A 73 3.987 4.339 -9.710 1.00 0.00 O ATOM 1150 CB THR A 73 2.399 7.124 -9.930 1.00 0.00 C ATOM 1151 OG1 THR A 73 1.957 7.803 -11.089 1.00 0.00 O ATOM 1152 CG2 THR A 73 3.892 7.355 -9.736 1.00 0.00 C ATOM 0 H THR A 73 0.145 6.390 -9.475 1.00 0.00 H new ATOM 0 HA THR A 73 2.204 5.337 -11.095 1.00 0.00 H new ATOM 0 HB THR A 73 1.922 7.506 -9.028 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.194 8.752 -11.023 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.086 8.424 -9.648 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.223 6.850 -8.829 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.436 6.957 -10.592 1.00 0.00 H new ATOM 1160 N TYR A 74 2.418 4.128 -8.125 1.00 0.00 N ATOM 1161 CA TYR A 74 3.142 3.139 -7.323 1.00 0.00 C ATOM 1162 C TYR A 74 2.575 1.722 -7.479 1.00 0.00 C ATOM 1163 O TYR A 74 2.956 0.805 -6.751 1.00 0.00 O ATOM 1164 CB TYR A 74 3.092 3.559 -5.854 1.00 0.00 C ATOM 1165 CG TYR A 74 3.863 4.827 -5.543 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.267 4.835 -5.640 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.181 6.019 -5.237 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.974 6.048 -5.560 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.890 7.226 -5.132 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.278 7.251 -5.352 1.00 0.00 C ATOM 1171 OH TYR A 74 5.930 8.448 -5.396 1.00 0.00 O ATOM 0 H TYR A 74 1.512 4.382 -7.731 1.00 0.00 H new ATOM 0 HA TYR A 74 4.171 3.109 -7.681 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.051 3.700 -5.563 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.487 2.748 -5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.803 3.907 -5.776 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.112 6.005 -5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.050 6.055 -5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.368 8.138 -4.882 1.00 0.00 H new ATOM 0 HH TYR A 74 6.023 8.804 -4.488 1.00 0.00 H new ATOM 1181 N ILE A 75 1.628 1.536 -8.396 1.00 0.00 N ATOM 1182 CA ILE A 75 0.934 0.272 -8.582 1.00 0.00 C ATOM 1183 C ILE A 75 1.906 -0.786 -9.089 1.00 0.00 C ATOM 1184 O ILE A 75 2.524 -0.608 -10.137 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.279 0.493 -9.503 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.400 -0.528 -9.280 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.046 0.622 -11.003 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -1.006 -1.975 -9.541 1.00 0.00 C ATOM 0 H ILE A 75 1.321 2.269 -9.035 1.00 0.00 H new ATOM 0 HA ILE A 75 0.548 -0.104 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.641 1.473 -9.193 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.752 -0.442 -8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.239 -0.272 -9.927 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.876 0.775 -11.563 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.711 1.472 -11.160 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.534 -0.289 -11.349 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.862 -2.624 -9.357 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.684 -2.083 -10.577 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.189 -2.255 -8.876 1.00 0.00 H new ATOM 1200 N ILE A 76 2.033 -1.891 -8.352 1.00 0.00 N ATOM 1201 CA ILE A 76 2.792 -3.036 -8.826 1.00 0.00 C ATOM 1202 C ILE A 76 1.847 -4.079 -9.419 1.00 0.00 C ATOM 1203 O ILE A 76 2.073 -4.540 -10.536 1.00 0.00 O ATOM 1204 CB ILE A 76 3.738 -3.562 -7.733 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.054 -3.824 -6.378 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.861 -2.526 -7.561 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.896 -4.726 -5.473 1.00 0.00 C ATOM 0 H ILE A 76 1.619 -2.011 -7.428 1.00 0.00 H new ATOM 0 HA ILE A 76 3.453 -2.738 -9.640 1.00 0.00 H new ATOM 0 HB ILE A 76 4.115 -4.532 -8.056 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.872 -2.874 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.082 -4.287 -6.547 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.554 -2.865 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.395 -2.408 -8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.431 -1.569 -7.266 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.374 -4.883 -4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.056 -5.686 -5.964 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.859 -4.252 -5.281 1.00 0.00 H new ATOM 1219 N GLY A 77 0.786 -4.435 -8.693 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.160 -5.467 -9.078 1.00 0.00 C ATOM 1221 C GLY A 77 -1.392 -5.341 -8.188 1.00 0.00 C ATOM 1222 O GLY A 77 -1.766 -4.240 -7.783 1.00 0.00 O ATOM 0 H GLY A 77 0.561 -3.998 -7.799 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.436 -5.357 -10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.289 -6.454 -8.968 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.034 -6.454 -7.858 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.353 -6.412 -7.259 1.00 0.00 C ATOM 1228 C GLU A 78 -3.550 -7.591 -6.322 1.00 0.00 C ATOM 1229 O GLU A 78 -2.735 -8.512 -6.261 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.446 -6.271 -8.337 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.265 -7.194 -9.552 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.483 -8.073 -9.800 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.547 -7.483 -10.088 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.321 -9.308 -9.711 1.00 0.00 O ATOM 0 H GLU A 78 -1.660 -7.393 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.442 -5.520 -6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.415 -6.475 -7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.467 -5.237 -8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.070 -6.590 -10.438 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.390 -7.825 -9.398 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.606 -7.491 -5.519 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.960 -8.504 -4.561 1.00 0.00 C ATOM 1243 C LEU A 79 -5.269 -9.781 -5.331 1.00 0.00 C ATOM 1244 O LEU A 79 -6.064 -9.724 -6.267 1.00 0.00 O ATOM 1245 CB LEU A 79 -6.184 -7.994 -3.790 1.00 0.00 C ATOM 1246 CG LEU A 79 -6.143 -8.365 -2.312 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.935 -9.867 -2.108 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -5.090 -7.527 -1.583 1.00 0.00 C ATOM 0 H LEU A 79 -5.239 -6.691 -5.525 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.160 -8.714 -3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.244 -6.910 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.088 -8.405 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.114 -8.133 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.912 -10.090 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.754 -10.414 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.991 -10.169 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.072 -7.803 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.110 -7.711 -2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.337 -6.470 -1.677 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.622 -10.896 -4.973 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.726 -12.137 -5.729 1.00 0.00 C ATOM 1262 C HIS A 80 -6.180 -12.419 -6.123 1.00 0.00 C ATOM 1263 O HIS A 80 -7.052 -12.406 -5.253 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.169 -13.302 -4.902 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.588 -14.414 -5.734 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.253 -15.518 -6.216 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.275 -14.533 -6.100 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.359 -16.268 -6.884 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.141 -15.707 -6.843 1.00 0.00 N ATOM 0 H HIS A 80 -4.016 -10.958 -4.155 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.140 -12.032 -6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.399 -12.923 -4.230 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.966 -13.706 -4.278 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.482 -13.841 -5.857 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.590 -17.196 -7.386 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.287 -16.067 -7.270 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.463 -12.695 -7.406 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.823 -12.895 -7.885 1.00 0.00 C ATOM 1279 C PRO A 81 -8.511 -14.088 -7.201 1.00 0.00 C ATOM 1280 O PRO A 81 -9.736 -14.179 -7.214 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.708 -13.039 -9.407 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.258 -13.469 -9.640 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.505 -12.798 -8.496 1.00 0.00 C ATOM 0 HA PRO A 81 -8.469 -12.054 -7.634 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.409 -13.781 -9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.930 -12.099 -9.913 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.150 -14.553 -9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.891 -13.138 -10.612 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.636 -13.386 -8.200 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.139 -11.814 -8.791 1.00 0.00 H new