USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 748 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= -0.053 (180deg=-0.22) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.6! C(o=-4.8!,f=-2.6!) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.596 F(o=-3.6!,f=-0.6) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -1.45 F(o=-4.9!,f=-1.4) USER MOD Single : A 20 SER OG : rot -16:sc= 1.05 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -137:sc= -1.77! USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -2.99! C(o=-3!,f=-3.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 166:sc= -0.0123 (180deg=-0.253) USER MOD Single : B 8 ASN :FLIP amide:sc= -2.53! C(o=-4.6!,f=-2.5!) USER MOD Single : B 9 ASN :FLIP amide:sc= -0.643 F(o=-3.5!,f=-0.64) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN :FLIP amide:sc= -1.46 F(o=-5.2!,f=-1.5) USER MOD Single : B 20 SER OG : rot -16:sc= 1.06 USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -130:sc= -1.82! USER MOD Single : B 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 ASN : amide:sc= -3.14! C(o=-3.1!,f=-3.3!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 12 N GLU A 2 4.760 3.853 2.470 1.00 0.00 N ATOM 13 CA GLU A 2 4.542 2.713 3.349 1.00 0.00 C ATOM 14 C GLU A 2 4.334 1.428 2.553 1.00 0.00 C ATOM 15 O GLU A 2 4.692 0.348 3.008 1.00 0.00 O ATOM 16 CB GLU A 2 3.335 2.966 4.256 1.00 0.00 C ATOM 17 CG GLU A 2 3.052 1.830 5.226 1.00 0.00 C ATOM 18 CD GLU A 2 1.863 2.113 6.122 1.00 0.00 C ATOM 19 OE1 GLU A 2 1.909 3.108 6.875 1.00 0.00 O ATOM 20 OE2 GLU A 2 0.883 1.338 6.071 1.00 0.00 O ATOM 0 HA GLU A 2 5.434 2.591 3.963 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.503 3.882 4.822 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.454 3.131 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.869 0.914 4.664 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.934 1.655 5.843 1.00 0.00 H new ATOM 27 N ALA A 3 3.752 1.556 1.364 1.00 0.00 N ATOM 28 CA ALA A 3 3.493 0.404 0.503 1.00 0.00 C ATOM 29 C ALA A 3 4.761 -0.015 -0.221 1.00 0.00 C ATOM 30 O ALA A 3 4.908 -1.153 -0.665 1.00 0.00 O ATOM 31 CB ALA A 3 2.397 0.729 -0.499 1.00 0.00 C ATOM 0 H ALA A 3 3.450 2.448 0.973 1.00 0.00 H new ATOM 0 HA ALA A 3 3.161 -0.425 1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.215 -0.138 -1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.482 0.987 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.707 1.572 -1.117 1.00 0.00 H new ATOM 37 N LEU A 4 5.661 0.934 -0.335 1.00 0.00 N ATOM 38 CA LEU A 4 6.931 0.741 -0.994 1.00 0.00 C ATOM 39 C LEU A 4 7.941 0.141 -0.031 1.00 0.00 C ATOM 40 O LEU A 4 8.663 -0.793 -0.364 1.00 0.00 O ATOM 41 CB LEU A 4 7.430 2.097 -1.493 1.00 0.00 C ATOM 42 CG LEU A 4 6.490 2.822 -2.462 1.00 0.00 C ATOM 43 CD1 LEU A 4 6.072 1.887 -3.575 1.00 0.00 C ATOM 44 CD2 LEU A 4 5.266 3.367 -1.733 1.00 0.00 C ATOM 0 H LEU A 4 5.529 1.876 0.033 1.00 0.00 H new ATOM 0 HA LEU A 4 6.809 0.055 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.605 2.741 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.392 1.954 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 4 7.026 3.667 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.404 2.411 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.955 1.550 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.555 1.026 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 4 4.616 3.877 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 4 4.722 2.544 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 4 5.584 4.070 -0.964 1.00 0.00 H new ATOM 56 N LYS A 5 7.979 0.715 1.159 1.00 0.00 N ATOM 57 CA LYS A 5 8.894 0.290 2.211 1.00 0.00 C ATOM 58 C LYS A 5 8.380 -0.934 2.964 1.00 0.00 C ATOM 59 O LYS A 5 9.165 -1.675 3.557 1.00 0.00 O ATOM 60 CB LYS A 5 9.142 1.438 3.191 1.00 0.00 C ATOM 61 CG LYS A 5 10.110 1.077 4.305 1.00 0.00 C ATOM 62 CD LYS A 5 11.379 0.462 3.743 1.00 0.00 C ATOM 63 CE LYS A 5 12.359 0.089 4.844 1.00 0.00 C ATOM 64 NZ LYS A 5 11.779 -0.897 5.795 1.00 0.00 N ATOM 0 H LYS A 5 7.375 1.492 1.426 1.00 0.00 H new ATOM 0 HA LYS A 5 9.831 0.010 1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.532 2.296 2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.192 1.744 3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.358 1.969 4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.635 0.376 4.992 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.127 -0.426 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.852 1.166 3.058 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.264 -0.325 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.653 0.987 5.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.537 -1.302 6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.085 -0.422 6.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.309 -1.657 5.263 1.00 0.00 H new ATOM 78 N ILE A 6 7.067 -1.149 2.944 1.00 0.00 N ATOM 79 CA ILE A 6 6.484 -2.288 3.628 1.00 0.00 C ATOM 80 C ILE A 6 7.157 -3.559 3.173 1.00 0.00 C ATOM 81 O ILE A 6 7.611 -4.380 3.970 1.00 0.00 O ATOM 82 CB ILE A 6 4.980 -2.412 3.325 1.00 0.00 C ATOM 83 CG1 ILE A 6 4.448 -3.698 3.933 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.728 -2.404 1.826 1.00 0.00 C ATOM 85 CD1 ILE A 6 2.953 -3.839 3.815 1.00 0.00 C ATOM 0 H ILE A 6 6.395 -0.551 2.464 1.00 0.00 H new ATOM 0 HA ILE A 6 6.626 -2.136 4.698 1.00 0.00 H new ATOM 0 HB ILE A 6 4.462 -1.558 3.762 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.926 -4.547 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.728 -3.737 4.986 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.658 -2.493 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.096 -1.470 1.400 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.249 -3.243 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.639 -4.779 4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.468 -3.009 4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.669 -3.832 2.763 1.00 0.00 H new ATOM 97 N LEU A 7 7.211 -3.688 1.870 1.00 0.00 N ATOM 98 CA LEU A 7 7.814 -4.821 1.223 1.00 0.00 C ATOM 99 C LEU A 7 9.184 -4.420 0.704 1.00 0.00 C ATOM 100 O LEU A 7 9.972 -5.255 0.258 1.00 0.00 O ATOM 101 CB LEU A 7 6.895 -5.293 0.088 1.00 0.00 C ATOM 102 CG LEU A 7 7.438 -5.126 -1.332 1.00 0.00 C ATOM 103 CD1 LEU A 7 8.219 -6.360 -1.752 1.00 0.00 C ATOM 104 CD2 LEU A 7 6.305 -4.847 -2.303 1.00 0.00 C ATOM 0 H LEU A 7 6.831 -2.998 1.222 1.00 0.00 H new ATOM 0 HA LEU A 7 7.943 -5.647 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.668 -6.347 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.953 -4.750 0.161 1.00 0.00 H new ATOM 0 HG LEU A 7 8.117 -4.274 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.598 -6.224 -2.765 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.055 -6.511 -1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.565 -7.232 -1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.708 -4.731 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.600 -5.678 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.792 -3.931 -2.010 1.00 0.00 H new ATOM 116 N ASN A 8 9.447 -3.115 0.762 1.00 0.00 N ATOM 117 CA ASN A 8 10.712 -2.564 0.287 1.00 0.00 C ATOM 118 C ASN A 8 10.873 -2.866 -1.198 1.00 0.00 C ATOM 119 O ASN A 8 11.984 -2.938 -1.715 1.00 0.00 O ATOM 120 CB ASN A 8 11.888 -3.148 1.080 1.00 0.00 C ATOM 121 CG ASN A 8 13.199 -2.423 0.822 1.00 0.00 C ATOM 122 OD1 ASN A 8 13.152 -1.355 0.031 1.00 0.00 O flip ATOM 123 ND2 ASN A 8 14.245 -2.816 1.337 1.00 0.00 N flip ATOM 0 H ASN A 8 8.799 -2.420 1.134 1.00 0.00 H new ATOM 0 HA ASN A 8 10.706 -1.484 0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.658 -3.104 2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.005 -4.201 0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 8 14.239 -3.640 1.938 1.00 0.00 H new ATOM 0 HD22 ASN A 8 15.118 -2.318 1.163 1.00 0.00 H new ATOM 130 N ASN A 9 9.740 -3.040 -1.875 1.00 0.00 N ATOM 131 CA ASN A 9 9.721 -3.341 -3.303 1.00 0.00 C ATOM 132 C ASN A 9 10.297 -4.734 -3.578 1.00 0.00 C ATOM 133 O ASN A 9 11.385 -5.076 -3.115 1.00 0.00 O ATOM 134 CB ASN A 9 10.500 -2.281 -4.087 1.00 0.00 C ATOM 135 CG ASN A 9 9.936 -0.873 -3.926 1.00 0.00 C ATOM 136 OD1 ASN A 9 8.898 -0.714 -3.103 1.00 0.00 O flip ATOM 137 ND2 ASN A 9 10.437 0.070 -4.538 1.00 0.00 N flip ATOM 0 H ASN A 9 8.814 -2.977 -1.451 1.00 0.00 H new ATOM 0 HA ASN A 9 8.683 -3.329 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.539 -2.288 -3.759 1.00 0.00 H new ATOM 0 HB3 ASN A 9 10.498 -2.547 -5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 9 11.230 -0.089 -5.159 1.00 0.00 H new ATOM 0 HD22 ASN A 9 10.059 1.010 -4.424 1.00 0.00 H new ATOM 144 N ILE A 10 9.541 -5.534 -4.330 1.00 0.00 N ATOM 145 CA ILE A 10 9.937 -6.901 -4.681 1.00 0.00 C ATOM 146 C ILE A 10 11.336 -6.963 -5.289 1.00 0.00 C ATOM 147 O ILE A 10 12.009 -7.990 -5.207 1.00 0.00 O ATOM 148 CB ILE A 10 8.938 -7.541 -5.667 1.00 0.00 C ATOM 149 CG1 ILE A 10 8.900 -6.771 -6.995 1.00 0.00 C ATOM 150 CG2 ILE A 10 7.556 -7.611 -5.036 1.00 0.00 C ATOM 151 CD1 ILE A 10 8.356 -5.362 -6.886 1.00 0.00 C ATOM 0 H ILE A 10 8.638 -5.255 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 10 9.939 -7.460 -3.745 1.00 0.00 H new ATOM 0 HB ILE A 10 9.271 -8.555 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 10 9.909 -6.727 -7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.291 -7.328 -7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.857 -8.064 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 10 7.600 -8.214 -4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.218 -6.605 -4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 10 8.365 -4.891 -7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.334 -5.395 -6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.977 -4.784 -6.202 1.00 0.00 H new ATOM 163 N ARG A 11 11.765 -5.872 -5.912 1.00 0.00 N ATOM 164 CA ARG A 11 13.080 -5.819 -6.545 1.00 0.00 C ATOM 165 C ARG A 11 14.188 -6.237 -5.577 1.00 0.00 C ATOM 166 O ARG A 11 15.026 -7.080 -5.907 1.00 0.00 O ATOM 167 CB ARG A 11 13.353 -4.411 -7.081 1.00 0.00 C ATOM 168 CG ARG A 11 13.259 -3.323 -6.022 1.00 0.00 C ATOM 169 CD ARG A 11 13.530 -1.947 -6.611 1.00 0.00 C ATOM 170 NE ARG A 11 13.441 -0.894 -5.605 1.00 0.00 N ATOM 171 CZ ARG A 11 13.636 0.395 -5.867 1.00 0.00 C ATOM 172 NH1 ARG A 11 13.929 0.788 -7.099 1.00 0.00 N ATOM 173 NH2 ARG A 11 13.537 1.292 -4.896 1.00 0.00 N ATOM 0 H ARG A 11 11.223 -5.012 -5.993 1.00 0.00 H new ATOM 0 HA ARG A 11 13.077 -6.526 -7.375 1.00 0.00 H new ATOM 0 HB2 ARG A 11 14.348 -4.388 -7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 11 12.643 -4.192 -7.878 1.00 0.00 H new ATOM 0 HG2 ARG A 11 12.267 -3.338 -5.571 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.975 -3.526 -5.225 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.522 -1.935 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG A 11 12.815 -1.747 -7.409 1.00 0.00 H new ATOM 0 HE ARG A 11 13.217 -1.162 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.005 0.101 -7.849 1.00 0.00 H new ATOM 0 HH12 ARG A 11 14.078 1.777 -7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.311 0.994 -3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.687 2.281 -5.098 1.00 0.00 H new ATOM 187 N THR A 12 14.194 -5.646 -4.387 1.00 0.00 N ATOM 188 CA THR A 12 15.207 -5.962 -3.387 1.00 0.00 C ATOM 189 C THR A 12 14.831 -7.199 -2.577 1.00 0.00 C ATOM 190 O THR A 12 15.699 -7.960 -2.153 1.00 0.00 O ATOM 191 CB THR A 12 15.435 -4.788 -2.417 1.00 0.00 C ATOM 192 OG1 THR A 12 16.563 -5.060 -1.577 1.00 0.00 O ATOM 193 CG2 THR A 12 14.207 -4.557 -1.551 1.00 0.00 C ATOM 0 H THR A 12 13.511 -4.948 -4.092 1.00 0.00 H new ATOM 0 HA THR A 12 16.127 -6.157 -3.938 1.00 0.00 H new ATOM 0 HB THR A 12 15.624 -3.891 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 12 16.703 -4.308 -0.964 1.00 0.00 H new ATOM 0 HG21 THR A 12 14.391 -3.723 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 12 13.352 -4.326 -2.186 1.00 0.00 H new ATOM 0 HG23 THR A 12 13.996 -5.456 -0.971 1.00 0.00 H new ATOM 201 N LEU A 13 13.532 -7.381 -2.342 1.00 0.00 N ATOM 202 CA LEU A 13 13.055 -8.512 -1.557 1.00 0.00 C ATOM 203 C LEU A 13 13.414 -9.837 -2.216 1.00 0.00 C ATOM 204 O LEU A 13 14.069 -10.679 -1.609 1.00 0.00 O ATOM 205 CB LEU A 13 11.541 -8.428 -1.347 1.00 0.00 C ATOM 206 CG LEU A 13 10.987 -9.337 -0.243 1.00 0.00 C ATOM 207 CD1 LEU A 13 9.509 -9.064 -0.021 1.00 0.00 C ATOM 208 CD2 LEU A 13 11.207 -10.806 -0.581 1.00 0.00 C ATOM 0 H LEU A 13 12.797 -6.762 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 13 13.550 -8.467 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.279 -7.396 -1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.045 -8.678 -2.285 1.00 0.00 H new ATOM 0 HG LEU A 13 11.527 -9.115 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.132 -9.718 0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.372 -8.024 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.961 -9.254 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.805 -11.428 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.700 -11.044 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.274 -10.999 -0.688 1.00 0.00 H new ATOM 220 N ARG A 14 12.968 -10.026 -3.452 1.00 0.00 N ATOM 221 CA ARG A 14 13.231 -11.255 -4.180 1.00 0.00 C ATOM 222 C ARG A 14 14.704 -11.641 -4.109 1.00 0.00 C ATOM 223 O ARG A 14 15.051 -12.817 -4.201 1.00 0.00 O ATOM 224 CB ARG A 14 12.798 -11.093 -5.632 1.00 0.00 C ATOM 225 CG ARG A 14 13.006 -12.336 -6.472 1.00 0.00 C ATOM 226 CD ARG A 14 12.299 -12.208 -7.803 1.00 0.00 C ATOM 227 NE ARG A 14 12.397 -13.429 -8.595 1.00 0.00 N ATOM 228 CZ ARG A 14 11.777 -13.606 -9.755 1.00 0.00 C ATOM 229 NH1 ARG A 14 11.005 -12.647 -10.247 1.00 0.00 N ATOM 230 NH2 ARG A 14 11.921 -14.743 -10.420 1.00 0.00 N ATOM 0 H ARG A 14 12.421 -9.339 -3.970 1.00 0.00 H new ATOM 0 HA ARG A 14 12.657 -12.057 -3.716 1.00 0.00 H new ATOM 0 HB2 ARG A 14 11.743 -10.819 -5.659 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.353 -10.267 -6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.072 -12.496 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 14 12.630 -13.209 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.249 -11.969 -7.634 1.00 0.00 H new ATOM 0 HD3 ARG A 14 12.729 -11.377 -8.363 1.00 0.00 H new ATOM 0 HE ARG A 14 12.975 -14.190 -8.237 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.888 -11.773 -9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.528 -12.783 -11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.509 -15.485 -10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.443 -14.877 -11.311 1.00 0.00 H new ATOM 244 N ALA A 15 15.561 -10.640 -3.954 1.00 0.00 N ATOM 245 CA ALA A 15 17.001 -10.869 -3.879 1.00 0.00 C ATOM 246 C ALA A 15 17.456 -11.203 -2.463 1.00 0.00 C ATOM 247 O ALA A 15 18.170 -12.182 -2.247 1.00 0.00 O ATOM 248 CB ALA A 15 17.742 -9.644 -4.372 1.00 0.00 C ATOM 0 H ALA A 15 15.285 -9.661 -3.878 1.00 0.00 H new ATOM 0 HA ALA A 15 17.229 -11.726 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.816 -9.821 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.463 -9.442 -5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.481 -8.787 -3.751 1.00 0.00 H new ATOM 254 N GLN A 16 17.045 -10.383 -1.503 1.00 0.00 N ATOM 255 CA GLN A 16 17.422 -10.597 -0.110 1.00 0.00 C ATOM 256 C GLN A 16 16.825 -11.901 0.392 1.00 0.00 C ATOM 257 O GLN A 16 17.417 -12.607 1.207 1.00 0.00 O ATOM 258 CB GLN A 16 16.947 -9.431 0.761 1.00 0.00 C ATOM 259 CG GLN A 16 15.440 -9.239 0.741 1.00 0.00 C ATOM 260 CD GLN A 16 14.978 -8.056 1.570 1.00 0.00 C ATOM 261 OE1 GLN A 16 14.308 -7.107 0.922 1.00 0.00 O flip ATOM 262 NE2 GLN A 16 15.217 -7.995 2.775 1.00 0.00 N flip ATOM 0 H GLN A 16 16.453 -9.567 -1.662 1.00 0.00 H new ATOM 0 HA GLN A 16 18.509 -10.654 -0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 16 17.271 -9.599 1.788 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.427 -8.514 0.421 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.111 -9.103 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.960 -10.144 1.112 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.735 -8.746 3.231 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.898 -7.193 3.318 1.00 0.00 H new ATOM 271 N ALA A 17 15.649 -12.204 -0.125 1.00 0.00 N ATOM 272 CA ALA A 17 14.933 -13.415 0.223 1.00 0.00 C ATOM 273 C ALA A 17 15.388 -14.565 -0.648 1.00 0.00 C ATOM 274 O ALA A 17 15.235 -15.727 -0.283 1.00 0.00 O ATOM 275 CB ALA A 17 13.442 -13.210 0.072 1.00 0.00 C ATOM 0 H ALA A 17 15.163 -11.614 -0.800 1.00 0.00 H new ATOM 0 HA ALA A 17 15.150 -13.655 1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 17 12.920 -14.129 0.337 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.117 -12.405 0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 17 13.214 -12.948 -0.961 1.00 0.00 H new ATOM 281 N ARG A 18 15.944 -14.226 -1.810 1.00 0.00 N ATOM 282 CA ARG A 18 16.426 -15.230 -2.745 1.00 0.00 C ATOM 283 C ARG A 18 17.198 -16.313 -2.005 1.00 0.00 C ATOM 284 O ARG A 18 17.203 -17.477 -2.406 1.00 0.00 O ATOM 285 CB ARG A 18 17.320 -14.570 -3.790 1.00 0.00 C ATOM 286 CG ARG A 18 17.832 -15.517 -4.854 1.00 0.00 C ATOM 287 CD ARG A 18 18.662 -14.766 -5.876 1.00 0.00 C ATOM 288 NE ARG A 18 19.166 -15.640 -6.932 1.00 0.00 N ATOM 289 CZ ARG A 18 20.010 -16.647 -6.720 1.00 0.00 C ATOM 290 NH1 ARG A 18 20.457 -16.900 -5.498 1.00 0.00 N ATOM 291 NH2 ARG A 18 20.410 -17.401 -7.735 1.00 0.00 N ATOM 0 H ARG A 18 16.070 -13.263 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 18 15.573 -15.691 -3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 18 16.764 -13.766 -4.272 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.171 -14.112 -3.287 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.433 -16.301 -4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 18 16.993 -16.007 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 18 18.058 -13.974 -6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.501 -14.284 -5.375 1.00 0.00 H new ATOM 0 HE ARG A 18 18.853 -15.469 -7.888 1.00 0.00 H new ATOM 0 HH11 ARG A 18 20.154 -16.322 -4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.104 -17.673 -5.341 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.071 -17.209 -8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.057 -18.173 -7.573 1.00 0.00 H new ATOM 305 N GLU A 19 17.848 -15.914 -0.917 1.00 0.00 N ATOM 306 CA GLU A 19 18.626 -16.845 -0.109 1.00 0.00 C ATOM 307 C GLU A 19 17.806 -17.389 1.061 1.00 0.00 C ATOM 308 O GLU A 19 18.341 -17.620 2.145 1.00 0.00 O ATOM 309 CB GLU A 19 19.890 -16.159 0.416 1.00 0.00 C ATOM 310 CG GLU A 19 19.610 -14.930 1.263 1.00 0.00 C ATOM 311 CD GLU A 19 20.877 -14.273 1.775 1.00 0.00 C ATOM 312 OE1 GLU A 19 21.705 -13.853 0.940 1.00 0.00 O ATOM 313 OE2 GLU A 19 21.040 -14.178 3.009 1.00 0.00 O ATOM 0 H GLU A 19 17.851 -14.953 -0.575 1.00 0.00 H new ATOM 0 HA GLU A 19 18.907 -17.684 -0.745 1.00 0.00 H new ATOM 0 HB2 GLU A 19 20.462 -16.874 1.007 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.515 -15.872 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 19 19.044 -14.209 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 19 18.984 -15.212 2.109 1.00 0.00 H new ATOM 320 N SER A 20 16.506 -17.600 0.841 1.00 0.00 N ATOM 321 CA SER A 20 15.638 -18.123 1.893 1.00 0.00 C ATOM 322 C SER A 20 14.275 -18.546 1.341 1.00 0.00 C ATOM 323 O SER A 20 14.111 -18.734 0.136 1.00 0.00 O ATOM 324 CB SER A 20 15.451 -17.073 2.990 1.00 0.00 C ATOM 325 OG SER A 20 14.851 -15.896 2.474 1.00 0.00 O ATOM 0 H SER A 20 16.037 -17.418 -0.047 1.00 0.00 H new ATOM 0 HA SER A 20 16.120 -19.007 2.312 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.830 -17.482 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.417 -16.829 3.432 1.00 0.00 H new ATOM 0 HG SER A 20 14.913 -15.899 1.496 1.00 0.00 H new ATOM 331 N THR A 21 13.306 -18.696 2.243 1.00 0.00 N ATOM 332 CA THR A 21 11.953 -19.100 1.871 1.00 0.00 C ATOM 333 C THR A 21 11.083 -17.890 1.544 1.00 0.00 C ATOM 334 O THR A 21 11.340 -16.784 2.019 1.00 0.00 O ATOM 335 CB THR A 21 11.283 -19.909 3.004 1.00 0.00 C ATOM 336 OG1 THR A 21 12.065 -21.072 3.300 1.00 0.00 O ATOM 337 CG2 THR A 21 9.870 -20.332 2.618 1.00 0.00 C ATOM 0 H THR A 21 13.436 -18.542 3.243 1.00 0.00 H new ATOM 0 HA THR A 21 12.042 -19.726 0.983 1.00 0.00 H new ATOM 0 HB THR A 21 11.223 -19.270 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.636 -21.580 4.020 1.00 0.00 H new ATOM 0 HG21 THR A 21 9.424 -20.899 3.435 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.266 -19.446 2.420 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.908 -20.953 1.723 1.00 0.00 H new ATOM 345 N LEU A 22 10.046 -18.108 0.735 1.00 0.00 N ATOM 346 CA LEU A 22 9.136 -17.046 0.356 1.00 0.00 C ATOM 347 C LEU A 22 8.454 -16.469 1.587 1.00 0.00 C ATOM 348 O LEU A 22 7.817 -15.437 1.509 1.00 0.00 O ATOM 349 CB LEU A 22 8.089 -17.536 -0.646 1.00 0.00 C ATOM 350 CG LEU A 22 6.722 -17.889 -0.056 1.00 0.00 C ATOM 351 CD1 LEU A 22 5.716 -18.102 -1.172 1.00 0.00 C ATOM 352 CD2 LEU A 22 6.806 -19.116 0.832 1.00 0.00 C ATOM 0 H LEU A 22 9.821 -19.018 0.332 1.00 0.00 H new ATOM 0 HA LEU A 22 9.722 -16.264 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.949 -16.765 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.483 -18.416 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 22 6.391 -17.056 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.745 -18.353 -0.744 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.628 -17.189 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.051 -18.917 -1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.819 -19.341 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.161 -19.965 0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.499 -18.925 1.652 1.00 0.00 H new ATOM 364 N GLU A 23 8.576 -17.159 2.718 1.00 0.00 N ATOM 365 CA GLU A 23 7.947 -16.714 3.962 1.00 0.00 C ATOM 366 C GLU A 23 8.042 -15.197 4.105 1.00 0.00 C ATOM 367 O GLU A 23 7.202 -14.574 4.761 1.00 0.00 O ATOM 368 CB GLU A 23 8.613 -17.392 5.160 1.00 0.00 C ATOM 369 CG GLU A 23 7.995 -17.014 6.498 1.00 0.00 C ATOM 370 CD GLU A 23 8.672 -17.698 7.670 1.00 0.00 C ATOM 371 OE1 GLU A 23 9.624 -18.472 7.438 1.00 0.00 O ATOM 372 OE2 GLU A 23 8.250 -17.458 8.821 1.00 0.00 O ATOM 0 H GLU A 23 9.104 -18.028 2.800 1.00 0.00 H new ATOM 0 HA GLU A 23 6.894 -16.993 3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.553 -18.473 5.034 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.671 -17.131 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.055 -15.934 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.937 -17.276 6.492 1.00 0.00 H new ATOM 379 N THR A 24 9.046 -14.608 3.461 1.00 0.00 N ATOM 380 CA THR A 24 9.220 -13.164 3.484 1.00 0.00 C ATOM 381 C THR A 24 7.910 -12.484 3.108 1.00 0.00 C ATOM 382 O THR A 24 7.525 -11.485 3.712 1.00 0.00 O ATOM 383 CB THR A 24 10.327 -12.707 2.518 1.00 0.00 C ATOM 384 OG1 THR A 24 10.008 -13.109 1.180 1.00 0.00 O ATOM 385 CG2 THR A 24 11.668 -13.297 2.923 1.00 0.00 C ATOM 0 H THR A 24 9.749 -15.110 2.918 1.00 0.00 H new ATOM 0 HA THR A 24 9.515 -12.881 4.494 1.00 0.00 H new ATOM 0 HB THR A 24 10.394 -11.620 2.562 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.812 -13.461 0.744 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.438 -12.962 2.228 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.921 -12.967 3.931 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.608 -14.385 2.901 1.00 0.00 H new ATOM 393 N LEU A 25 7.216 -13.050 2.122 1.00 0.00 N ATOM 394 CA LEU A 25 5.935 -12.511 1.703 1.00 0.00 C ATOM 395 C LEU A 25 4.901 -12.726 2.797 1.00 0.00 C ATOM 396 O LEU A 25 4.150 -11.823 3.135 1.00 0.00 O ATOM 397 CB LEU A 25 5.457 -13.105 0.364 1.00 0.00 C ATOM 398 CG LEU A 25 5.624 -14.617 0.142 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.776 -15.432 1.106 1.00 0.00 C ATOM 400 CD2 LEU A 25 5.253 -14.965 -1.289 1.00 0.00 C ATOM 0 H LEU A 25 7.521 -13.875 1.605 1.00 0.00 H new ATOM 0 HA LEU A 25 6.063 -11.441 1.537 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.399 -12.866 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.987 -12.590 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 25 6.668 -14.868 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.925 -16.494 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.070 -15.204 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.724 -15.182 0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.372 -16.037 -1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.216 -14.684 -1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.904 -14.424 -1.976 1.00 0.00 H new ATOM 412 N GLU A 26 4.882 -13.907 3.386 1.00 0.00 N ATOM 413 CA GLU A 26 3.946 -14.160 4.460 1.00 0.00 C ATOM 414 C GLU A 26 4.184 -13.134 5.556 1.00 0.00 C ATOM 415 O GLU A 26 3.294 -12.819 6.340 1.00 0.00 O ATOM 416 CB GLU A 26 4.081 -15.590 4.990 1.00 0.00 C ATOM 417 CG GLU A 26 3.302 -15.839 6.274 1.00 0.00 C ATOM 418 CD GLU A 26 3.406 -17.272 6.753 1.00 0.00 C ATOM 419 OE1 GLU A 26 2.986 -18.180 6.006 1.00 0.00 O ATOM 420 OE2 GLU A 26 3.907 -17.487 7.876 1.00 0.00 O ATOM 0 H GLU A 26 5.490 -14.689 3.145 1.00 0.00 H new ATOM 0 HA GLU A 26 2.926 -14.064 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.737 -16.286 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.135 -15.805 5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.671 -15.172 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.253 -15.590 6.112 1.00 0.00 H new ATOM 427 N GLU A 27 5.400 -12.594 5.578 1.00 0.00 N ATOM 428 CA GLU A 27 5.761 -11.576 6.552 1.00 0.00 C ATOM 429 C GLU A 27 5.323 -10.190 6.075 1.00 0.00 C ATOM 430 O GLU A 27 4.630 -9.470 6.787 1.00 0.00 O ATOM 431 CB GLU A 27 7.271 -11.591 6.804 1.00 0.00 C ATOM 432 CG GLU A 27 7.729 -10.569 7.830 1.00 0.00 C ATOM 433 CD GLU A 27 7.096 -10.783 9.191 1.00 0.00 C ATOM 434 OE1 GLU A 27 7.294 -11.870 9.774 1.00 0.00 O ATOM 435 OE2 GLU A 27 6.402 -9.863 9.676 1.00 0.00 O ATOM 0 H GLU A 27 6.148 -12.846 4.932 1.00 0.00 H new ATOM 0 HA GLU A 27 5.245 -11.800 7.485 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.565 -12.586 7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.789 -11.406 5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.814 -10.618 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.485 -9.568 7.474 1.00 0.00 H new ATOM 442 N MET A 28 5.749 -9.823 4.866 1.00 0.00 N ATOM 443 CA MET A 28 5.420 -8.522 4.285 1.00 0.00 C ATOM 444 C MET A 28 4.126 -8.555 3.469 1.00 0.00 C ATOM 445 O MET A 28 3.276 -7.679 3.604 1.00 0.00 O ATOM 446 CB MET A 28 6.573 -8.036 3.407 1.00 0.00 C ATOM 447 CG MET A 28 7.888 -7.886 4.155 1.00 0.00 C ATOM 448 SD MET A 28 9.237 -7.337 3.094 1.00 0.00 S ATOM 449 CE MET A 28 10.585 -7.264 4.271 1.00 0.00 C ATOM 0 H MET A 28 6.326 -10.413 4.267 1.00 0.00 H new ATOM 0 HA MET A 28 5.264 -7.830 5.113 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.711 -8.736 2.583 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.304 -7.076 2.967 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.758 -7.172 4.969 1.00 0.00 H new ATOM 0 HG3 MET A 28 8.154 -8.841 4.608 1.00 0.00 H new ATOM 0 HE1 MET A 28 11.493 -6.938 3.764 1.00 0.00 H new ATOM 0 HE2 MET A 28 10.338 -6.557 5.063 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.745 -8.252 4.703 1.00 0.00 H new ATOM 459 N LEU A 29 3.996 -9.566 2.613 1.00 0.00 N ATOM 460 CA LEU A 29 2.816 -9.728 1.749 1.00 0.00 C ATOM 461 C LEU A 29 1.539 -9.900 2.572 1.00 0.00 C ATOM 462 O LEU A 29 0.502 -9.331 2.242 1.00 0.00 O ATOM 463 CB LEU A 29 3.041 -10.922 0.804 1.00 0.00 C ATOM 464 CG LEU A 29 1.815 -11.456 0.062 1.00 0.00 C ATOM 465 CD1 LEU A 29 1.426 -10.531 -1.074 1.00 0.00 C ATOM 466 CD2 LEU A 29 2.102 -12.850 -0.467 1.00 0.00 C ATOM 0 H LEU A 29 4.699 -10.296 2.495 1.00 0.00 H new ATOM 0 HA LEU A 29 2.685 -8.824 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.787 -10.633 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.469 -11.739 1.385 1.00 0.00 H new ATOM 0 HG LEU A 29 0.979 -11.503 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.552 -10.932 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.192 -9.544 -0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.254 -10.451 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.226 -13.226 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.949 -12.812 -1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.337 -13.514 0.365 1.00 0.00 H new ATOM 478 N GLU A 30 1.615 -10.666 3.653 1.00 0.00 N ATOM 479 CA GLU A 30 0.453 -10.878 4.515 1.00 0.00 C ATOM 480 C GLU A 30 -0.008 -9.566 5.139 1.00 0.00 C ATOM 481 O GLU A 30 -1.201 -9.349 5.345 1.00 0.00 O ATOM 482 CB GLU A 30 0.773 -11.877 5.627 1.00 0.00 C ATOM 483 CG GLU A 30 -0.331 -12.008 6.665 1.00 0.00 C ATOM 484 CD GLU A 30 0.010 -12.993 7.766 1.00 0.00 C ATOM 485 OE1 GLU A 30 1.110 -13.581 7.718 1.00 0.00 O ATOM 486 OE2 GLU A 30 -0.825 -13.178 8.677 1.00 0.00 O ATOM 0 H GLU A 30 2.461 -11.149 3.955 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.346 -11.279 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.960 -12.855 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.693 -11.571 6.125 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.526 -11.031 7.106 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.250 -12.325 6.173 1.00 0.00 H new ATOM 493 N LYS A 31 0.947 -8.700 5.444 1.00 0.00 N ATOM 494 CA LYS A 31 0.647 -7.410 6.051 1.00 0.00 C ATOM 495 C LYS A 31 0.343 -6.397 4.972 1.00 0.00 C ATOM 496 O LYS A 31 -0.391 -5.432 5.180 1.00 0.00 O ATOM 497 CB LYS A 31 1.818 -6.952 6.910 1.00 0.00 C ATOM 498 CG LYS A 31 2.384 -8.075 7.755 1.00 0.00 C ATOM 499 CD LYS A 31 1.339 -8.664 8.691 1.00 0.00 C ATOM 500 CE LYS A 31 1.868 -9.891 9.414 1.00 0.00 C ATOM 501 NZ LYS A 31 0.868 -10.454 10.361 1.00 0.00 N ATOM 0 H LYS A 31 1.940 -8.867 5.281 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.229 -7.507 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.603 -6.552 6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.493 -6.139 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.771 -8.859 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.225 -7.701 8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.037 -7.912 9.420 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.449 -8.931 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.144 -10.651 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.775 -9.628 9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.269 -11.289 10.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 0.623 -9.738 11.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.012 -10.729 9.839 1.00 0.00 H new ATOM 515 N LEU A 32 0.906 -6.643 3.806 1.00 0.00 N ATOM 516 CA LEU A 32 0.694 -5.787 2.664 1.00 0.00 C ATOM 517 C LEU A 32 -0.740 -5.941 2.188 1.00 0.00 C ATOM 518 O LEU A 32 -1.309 -5.041 1.570 1.00 0.00 O ATOM 519 CB LEU A 32 1.669 -6.140 1.558 1.00 0.00 C ATOM 520 CG LEU A 32 1.561 -5.257 0.317 1.00 0.00 C ATOM 521 CD1 LEU A 32 1.809 -3.800 0.678 1.00 0.00 C ATOM 522 CD2 LEU A 32 2.544 -5.717 -0.736 1.00 0.00 C ATOM 0 H LEU A 32 1.519 -7.438 3.627 1.00 0.00 H new ATOM 0 HA LEU A 32 0.867 -4.748 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.684 -6.073 1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.508 -7.178 1.266 1.00 0.00 H new ATOM 0 HG LEU A 32 0.552 -5.343 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.728 -3.184 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.069 -3.475 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.808 -3.695 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.458 -5.080 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.558 -5.654 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.326 -6.749 -1.012 1.00 0.00 H new ATOM 534 N GLU A 33 -1.325 -7.092 2.494 1.00 0.00 N ATOM 535 CA GLU A 33 -2.702 -7.348 2.119 1.00 0.00 C ATOM 536 C GLU A 33 -3.631 -6.795 3.194 1.00 0.00 C ATOM 537 O GLU A 33 -4.700 -6.271 2.888 1.00 0.00 O ATOM 538 CB GLU A 33 -2.939 -8.843 1.857 1.00 0.00 C ATOM 539 CG GLU A 33 -3.215 -9.686 3.095 1.00 0.00 C ATOM 540 CD GLU A 33 -4.638 -9.531 3.590 1.00 0.00 C ATOM 541 OE1 GLU A 33 -5.567 -9.750 2.788 1.00 0.00 O ATOM 542 OE2 GLU A 33 -4.827 -9.201 4.776 1.00 0.00 O ATOM 0 H GLU A 33 -0.869 -7.854 2.996 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.922 -6.836 1.182 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.781 -8.946 1.173 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.064 -9.249 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.024 -10.735 2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.524 -9.401 3.888 1.00 0.00 H new ATOM 549 N VAL A 34 -3.202 -6.888 4.460 1.00 0.00 N ATOM 550 CA VAL A 34 -3.995 -6.361 5.565 1.00 0.00 C ATOM 551 C VAL A 34 -3.994 -4.839 5.516 1.00 0.00 C ATOM 552 O VAL A 34 -5.005 -4.195 5.807 1.00 0.00 O ATOM 553 CB VAL A 34 -3.495 -6.823 6.956 1.00 0.00 C ATOM 554 CG1 VAL A 34 -3.369 -8.335 7.018 1.00 0.00 C ATOM 555 CG2 VAL A 34 -2.180 -6.154 7.319 1.00 0.00 C ATOM 0 H VAL A 34 -2.320 -7.319 4.737 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.003 -6.756 5.439 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.239 -6.517 7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.016 -8.630 8.006 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.342 -8.789 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.659 -8.672 6.263 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.855 -6.499 8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.424 -6.410 6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.316 -5.073 7.341 1.00 0.00 H new ATOM 565 N VAL A 35 -2.854 -4.263 5.122 1.00 0.00 N ATOM 566 CA VAL A 35 -2.744 -2.817 5.013 1.00 0.00 C ATOM 567 C VAL A 35 -3.769 -2.323 4.009 1.00 0.00 C ATOM 568 O VAL A 35 -4.564 -1.434 4.309 1.00 0.00 O ATOM 569 CB VAL A 35 -1.327 -2.354 4.589 1.00 0.00 C ATOM 570 CG1 VAL A 35 -0.911 -2.978 3.272 1.00 0.00 C ATOM 571 CG2 VAL A 35 -1.264 -0.841 4.485 1.00 0.00 C ATOM 0 H VAL A 35 -2.006 -4.775 4.877 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.931 -2.393 5.999 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.632 -2.687 5.360 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.087 -2.632 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.905 -4.064 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.616 -2.688 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.260 -0.538 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.983 -0.497 3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.503 -0.400 5.452 1.00 0.00 H new ATOM 581 N VAL A 36 -3.779 -2.940 2.831 1.00 0.00 N ATOM 582 CA VAL A 36 -4.742 -2.581 1.811 1.00 0.00 C ATOM 583 C VAL A 36 -6.098 -3.151 2.164 1.00 0.00 C ATOM 584 O VAL A 36 -7.098 -2.706 1.651 1.00 0.00 O ATOM 585 CB VAL A 36 -4.353 -3.047 0.398 1.00 0.00 C ATOM 586 CG1 VAL A 36 -4.373 -4.562 0.286 1.00 0.00 C ATOM 587 CG2 VAL A 36 -5.264 -2.398 -0.632 1.00 0.00 C ATOM 0 H VAL A 36 -3.134 -3.684 2.566 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.767 -1.492 1.789 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.329 -2.731 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.093 -4.856 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.665 -4.989 0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.375 -4.930 0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.982 -2.733 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.298 -2.681 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.166 -1.314 -0.572 1.00 0.00 H new ATOM 597 N ASN A 37 -6.119 -4.145 3.043 1.00 0.00 N ATOM 598 CA ASN A 37 -7.376 -4.759 3.464 1.00 0.00 C ATOM 599 C ASN A 37 -8.279 -3.690 4.043 1.00 0.00 C ATOM 600 O ASN A 37 -9.449 -3.574 3.676 1.00 0.00 O ATOM 601 CB ASN A 37 -7.104 -5.835 4.513 1.00 0.00 C ATOM 602 CG ASN A 37 -8.314 -6.695 4.815 1.00 0.00 C ATOM 603 OD1 ASN A 37 -9.385 -6.190 5.150 1.00 0.00 O ATOM 604 ND2 ASN A 37 -8.137 -8.006 4.710 1.00 0.00 N ATOM 0 H ASN A 37 -5.286 -4.543 3.477 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.862 -5.222 2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.291 -6.473 4.167 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.766 -5.359 5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.908 -8.642 4.911 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.230 -8.377 4.428 1.00 0.00 H new ATOM 611 N GLU A 38 -7.711 -2.893 4.935 1.00 0.00 N ATOM 612 CA GLU A 38 -8.443 -1.801 5.554 1.00 0.00 C ATOM 613 C GLU A 38 -8.756 -0.745 4.503 1.00 0.00 C ATOM 614 O GLU A 38 -9.865 -0.220 4.440 1.00 0.00 O ATOM 615 CB GLU A 38 -7.633 -1.187 6.696 1.00 0.00 C ATOM 616 CG GLU A 38 -7.293 -2.174 7.801 1.00 0.00 C ATOM 617 CD GLU A 38 -6.489 -1.544 8.921 1.00 0.00 C ATOM 618 OE1 GLU A 38 -5.379 -1.041 8.645 1.00 0.00 O ATOM 619 OE2 GLU A 38 -6.968 -1.551 10.074 1.00 0.00 O ATOM 0 H GLU A 38 -6.744 -2.983 5.246 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.374 -2.187 5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.709 -0.773 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.195 -0.356 7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.215 -2.588 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.730 -3.006 7.379 1.00 0.00 H new ATOM 626 N ARG A 39 -7.762 -0.458 3.669 1.00 0.00 N ATOM 627 CA ARG A 39 -7.907 0.519 2.596 1.00 0.00 C ATOM 628 C ARG A 39 -8.853 0.016 1.511 1.00 0.00 C ATOM 629 O ARG A 39 -9.524 0.793 0.848 1.00 0.00 O ATOM 630 CB ARG A 39 -6.553 0.826 1.963 1.00 0.00 C ATOM 631 CG ARG A 39 -5.689 1.792 2.754 1.00 0.00 C ATOM 632 CD ARG A 39 -5.300 1.235 4.108 1.00 0.00 C ATOM 633 NE ARG A 39 -4.886 2.285 5.036 1.00 0.00 N ATOM 634 CZ ARG A 39 -5.675 3.287 5.416 1.00 0.00 C ATOM 635 NH1 ARG A 39 -6.909 3.387 4.937 1.00 0.00 N ATOM 636 NH2 ARG A 39 -5.232 4.194 6.274 1.00 0.00 N ATOM 0 H ARG A 39 -6.840 -0.892 3.717 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.322 1.424 3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.006 -0.108 1.835 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.717 1.238 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.788 2.021 2.185 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.227 2.730 2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.144 0.690 4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.487 0.519 3.985 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.939 2.248 5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.257 2.694 4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.510 4.157 5.232 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.284 4.125 6.645 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.839 4.961 6.564 1.00 0.00 H new ATOM 650 N ARG A 40 -8.878 -1.288 1.330 1.00 0.00 N ATOM 651 CA ARG A 40 -9.716 -1.920 0.320 1.00 0.00 C ATOM 652 C ARG A 40 -11.190 -1.731 0.654 1.00 0.00 C ATOM 653 O ARG A 40 -12.001 -1.419 -0.219 1.00 0.00 O ATOM 654 CB ARG A 40 -9.360 -3.414 0.205 1.00 0.00 C ATOM 655 CG ARG A 40 -8.451 -3.768 -0.970 1.00 0.00 C ATOM 656 CD ARG A 40 -9.137 -3.542 -2.311 1.00 0.00 C ATOM 657 NE ARG A 40 -9.389 -2.127 -2.578 1.00 0.00 N ATOM 658 CZ ARG A 40 -10.022 -1.682 -3.659 1.00 0.00 C ATOM 659 NH1 ARG A 40 -10.470 -2.538 -4.568 1.00 0.00 N ATOM 660 NH2 ARG A 40 -10.209 -0.381 -3.830 1.00 0.00 N ATOM 0 H ARG A 40 -8.320 -1.944 1.876 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.530 -1.446 -0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -8.875 -3.730 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.283 -3.987 0.117 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.544 -3.166 -0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.145 -4.811 -0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.517 -3.954 -3.107 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.081 -4.086 -2.329 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.061 -1.443 -1.897 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.329 -3.540 -4.438 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.955 -2.194 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.867 0.279 -3.132 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.695 -0.040 -4.660 1.00 0.00 H new ATOM 674 N GLU A 41 -11.525 -1.924 1.922 1.00 0.00 N ATOM 675 CA GLU A 41 -12.903 -1.779 2.385 1.00 0.00 C ATOM 676 C GLU A 41 -13.264 -0.322 2.701 1.00 0.00 C ATOM 677 O GLU A 41 -14.430 0.066 2.607 1.00 0.00 O ATOM 678 CB GLU A 41 -13.133 -2.646 3.624 1.00 0.00 C ATOM 679 CG GLU A 41 -12.217 -2.301 4.788 1.00 0.00 C ATOM 680 CD GLU A 41 -12.466 -3.174 6.002 1.00 0.00 C ATOM 681 OE1 GLU A 41 -12.317 -4.408 5.887 1.00 0.00 O ATOM 682 OE2 GLU A 41 -12.806 -2.622 7.070 1.00 0.00 O ATOM 0 H GLU A 41 -10.861 -2.182 2.652 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.551 -2.109 1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.169 -2.539 3.944 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.988 -3.693 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.179 -2.409 4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.360 -1.255 5.061 1.00 0.00 H new ATOM 689 N GLU A 42 -12.274 0.478 3.094 1.00 0.00 N ATOM 690 CA GLU A 42 -12.516 1.880 3.446 1.00 0.00 C ATOM 691 C GLU A 42 -12.465 2.798 2.231 1.00 0.00 C ATOM 692 O GLU A 42 -13.262 3.728 2.114 1.00 0.00 O ATOM 693 CB GLU A 42 -11.507 2.349 4.497 1.00 0.00 C ATOM 694 CG GLU A 42 -11.650 1.643 5.835 1.00 0.00 C ATOM 695 CD GLU A 42 -10.641 2.126 6.859 1.00 0.00 C ATOM 696 OE1 GLU A 42 -10.649 3.333 7.177 1.00 0.00 O ATOM 697 OE2 GLU A 42 -9.842 1.296 7.342 1.00 0.00 O ATOM 0 H GLU A 42 -11.301 0.183 3.177 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.524 1.936 3.858 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.498 2.189 4.117 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.624 3.422 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.657 1.802 6.220 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.530 0.569 5.690 1.00 0.00 H new ATOM 704 N GLU A 43 -11.527 2.539 1.332 1.00 0.00 N ATOM 705 CA GLU A 43 -11.384 3.354 0.131 1.00 0.00 C ATOM 706 C GLU A 43 -12.633 3.270 -0.728 1.00 0.00 C ATOM 707 O GLU A 43 -13.146 4.290 -1.187 1.00 0.00 O ATOM 708 CB GLU A 43 -10.158 2.935 -0.661 1.00 0.00 C ATOM 709 CG GLU A 43 -8.884 3.569 -0.143 1.00 0.00 C ATOM 710 CD GLU A 43 -8.803 5.051 -0.455 1.00 0.00 C ATOM 711 OE1 GLU A 43 -9.696 5.804 -0.014 1.00 0.00 O ATOM 712 OE2 GLU A 43 -7.843 5.459 -1.142 1.00 0.00 O ATOM 0 H GLU A 43 -10.856 1.775 1.409 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.252 4.391 0.439 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -10.060 1.850 -0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.296 3.208 -1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.823 3.424 0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.025 3.061 -0.582 1.00 0.00 H new ATOM 719 N SER A 44 -13.140 2.055 -0.916 1.00 0.00 N ATOM 720 CA SER A 44 -14.357 1.868 -1.689 1.00 0.00 C ATOM 721 C SER A 44 -15.449 2.714 -1.059 1.00 0.00 C ATOM 722 O SER A 44 -16.313 3.268 -1.739 1.00 0.00 O ATOM 723 CB SER A 44 -14.768 0.394 -1.709 1.00 0.00 C ATOM 724 OG SER A 44 -15.954 0.204 -2.460 1.00 0.00 O ATOM 0 H SER A 44 -12.731 1.197 -0.547 1.00 0.00 H new ATOM 0 HA SER A 44 -14.190 2.175 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.964 -0.205 -2.136 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.920 0.042 -0.689 1.00 0.00 H new ATOM 0 HG SER A 44 -16.194 -0.746 -2.458 1.00 0.00 H new ATOM 730 N ALA A 45 -15.368 2.819 0.264 1.00 0.00 N ATOM 731 CA ALA A 45 -16.304 3.608 1.045 1.00 0.00 C ATOM 732 C ALA A 45 -16.103 5.098 0.774 1.00 0.00 C ATOM 733 O ALA A 45 -17.065 5.842 0.589 1.00 0.00 O ATOM 734 CB ALA A 45 -16.111 3.307 2.523 1.00 0.00 C ATOM 0 H ALA A 45 -14.649 2.357 0.822 1.00 0.00 H new ATOM 0 HA ALA A 45 -17.321 3.344 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.813 3.899 3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.289 2.247 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.092 3.559 2.815 1.00 0.00 H new ATOM 740 N ALA A 46 -14.838 5.518 0.745 1.00 0.00 N ATOM 741 CA ALA A 46 -14.495 6.913 0.491 1.00 0.00 C ATOM 742 C ALA A 46 -14.962 7.341 -0.895 1.00 0.00 C ATOM 743 O ALA A 46 -15.446 8.458 -1.079 1.00 0.00 O ATOM 744 CB ALA A 46 -12.992 7.120 0.630 1.00 0.00 C ATOM 0 H ALA A 46 -14.034 4.909 0.895 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.005 7.532 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.749 8.165 0.438 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -12.680 6.855 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.470 6.488 -0.089 1.00 0.00 H new ATOM 947 N GLU B 2 -10.584 -8.149 -2.044 1.00 0.00 N ATOM 948 CA GLU B 2 -9.549 -8.002 -3.058 1.00 0.00 C ATOM 949 C GLU B 2 -8.156 -8.159 -2.457 1.00 0.00 C ATOM 950 O GLU B 2 -7.239 -8.629 -3.124 1.00 0.00 O ATOM 951 CB GLU B 2 -9.671 -6.639 -3.744 1.00 0.00 C ATOM 952 CG GLU B 2 -8.639 -6.413 -4.837 1.00 0.00 C ATOM 953 CD GLU B 2 -8.792 -5.063 -5.512 1.00 0.00 C ATOM 954 OE1 GLU B 2 -9.867 -4.808 -6.094 1.00 0.00 O ATOM 955 OE2 GLU B 2 -7.835 -4.261 -5.457 1.00 0.00 O ATOM 0 HA GLU B 2 -9.690 -8.791 -3.796 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -10.669 -6.546 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -9.572 -5.854 -2.994 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -7.639 -6.490 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -8.728 -7.201 -5.585 1.00 0.00 H new ATOM 962 N ALA B 3 -8.006 -7.763 -1.197 1.00 0.00 N ATOM 963 CA ALA B 3 -6.722 -7.858 -0.505 1.00 0.00 C ATOM 964 C ALA B 3 -6.475 -9.280 -0.033 1.00 0.00 C ATOM 965 O ALA B 3 -5.343 -9.700 0.199 1.00 0.00 O ATOM 966 CB ALA B 3 -6.684 -6.896 0.672 1.00 0.00 C ATOM 0 H ALA B 3 -8.759 -7.372 -0.631 1.00 0.00 H new ATOM 0 HA ALA B 3 -5.932 -7.585 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -5.722 -6.978 1.178 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -6.820 -5.876 0.313 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -7.483 -7.144 1.370 1.00 0.00 H new ATOM 972 N LEU B 4 -7.563 -10.000 0.112 1.00 0.00 N ATOM 973 CA LEU B 4 -7.546 -11.374 0.556 1.00 0.00 C ATOM 974 C LEU B 4 -7.295 -12.306 -0.615 1.00 0.00 C ATOM 975 O LEU B 4 -6.490 -13.230 -0.535 1.00 0.00 O ATOM 976 CB LEU B 4 -8.896 -11.694 1.197 1.00 0.00 C ATOM 977 CG LEU B 4 -9.282 -10.806 2.385 1.00 0.00 C ATOM 978 CD1 LEU B 4 -8.143 -10.751 3.378 1.00 0.00 C ATOM 979 CD2 LEU B 4 -9.660 -9.405 1.923 1.00 0.00 C ATOM 0 H LEU B 4 -8.499 -9.642 -0.078 1.00 0.00 H new ATOM 0 HA LEU B 4 -6.744 -11.515 1.281 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -9.671 -11.610 0.435 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -8.886 -12.732 1.529 1.00 0.00 H new ATOM 0 HG LEU B 4 -10.155 -11.241 2.872 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -8.424 -10.118 4.220 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -7.925 -11.757 3.737 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -7.258 -10.338 2.894 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -9.929 -8.797 2.787 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -8.813 -8.950 1.409 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -10.509 -9.463 1.242 1.00 0.00 H new ATOM 991 N LYS B 5 -8.016 -12.049 -1.694 1.00 0.00 N ATOM 992 CA LYS B 5 -7.927 -12.844 -2.910 1.00 0.00 C ATOM 993 C LYS B 5 -6.735 -12.444 -3.775 1.00 0.00 C ATOM 994 O LYS B 5 -6.253 -13.245 -4.578 1.00 0.00 O ATOM 995 CB LYS B 5 -9.221 -12.721 -3.718 1.00 0.00 C ATOM 996 CG LYS B 5 -9.212 -13.545 -4.994 1.00 0.00 C ATOM 997 CD LYS B 5 -8.798 -14.979 -4.711 1.00 0.00 C ATOM 998 CE LYS B 5 -8.780 -15.820 -5.976 1.00 0.00 C ATOM 999 NZ LYS B 5 -7.831 -15.280 -6.989 1.00 0.00 N ATOM 0 H LYS B 5 -8.683 -11.280 -1.752 1.00 0.00 H new ATOM 0 HA LYS B 5 -7.780 -13.881 -2.607 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -10.060 -13.034 -3.097 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -9.385 -11.674 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -10.203 -13.531 -5.447 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -8.526 -13.100 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -7.808 -14.988 -4.254 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -9.486 -15.421 -3.990 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -8.501 -16.844 -5.727 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -9.783 -15.857 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -7.668 -15.994 -7.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -8.233 -14.423 -7.419 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -6.928 -15.046 -6.529 1.00 0.00 H new ATOM 1013 N ILE B 6 -6.258 -11.214 -3.616 1.00 0.00 N ATOM 1014 CA ILE B 6 -5.125 -10.741 -4.391 1.00 0.00 C ATOM 1015 C ILE B 6 -3.969 -11.697 -4.239 1.00 0.00 C ATOM 1016 O ILE B 6 -3.368 -12.156 -5.210 1.00 0.00 O ATOM 1017 CB ILE B 6 -4.660 -9.354 -3.915 1.00 0.00 C ATOM 1018 CG1 ILE B 6 -3.387 -8.970 -4.647 1.00 0.00 C ATOM 1019 CG2 ILE B 6 -4.419 -9.349 -2.414 1.00 0.00 C ATOM 1020 CD1 ILE B 6 -2.933 -7.565 -4.355 1.00 0.00 C ATOM 0 H ILE B 6 -6.639 -10.532 -2.960 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.443 -10.677 -5.432 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.442 -8.628 -4.135 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -2.594 -9.665 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -3.547 -9.077 -5.720 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -4.091 -8.358 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.343 -9.605 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.650 -10.080 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -2.018 -7.355 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -3.709 -6.862 -4.656 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -2.742 -7.459 -3.287 1.00 0.00 H new ATOM 1032 N LEU B 7 -3.681 -11.982 -2.992 1.00 0.00 N ATOM 1033 CA LEU B 7 -2.619 -12.875 -2.622 1.00 0.00 C ATOM 1034 C LEU B 7 -3.216 -14.217 -2.230 1.00 0.00 C ATOM 1035 O LEU B 7 -2.507 -15.203 -2.033 1.00 0.00 O ATOM 1036 CB LEU B 7 -1.825 -12.252 -1.466 1.00 0.00 C ATOM 1037 CG LEU B 7 -1.908 -12.977 -0.122 1.00 0.00 C ATOM 1038 CD1 LEU B 7 -0.815 -14.025 -0.013 1.00 0.00 C ATOM 1039 CD2 LEU B 7 -1.823 -11.983 1.023 1.00 0.00 C ATOM 0 H LEU B 7 -4.187 -11.592 -2.197 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.937 -13.036 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -0.777 -12.196 -1.761 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.171 -11.228 -1.325 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.870 -13.485 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -0.890 -14.530 0.950 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.929 -14.754 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.160 -13.544 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.884 -12.515 1.972 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.877 -11.445 0.968 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.648 -11.274 0.951 1.00 0.00 H new ATOM 1051 N ASN B 8 -4.543 -14.228 -2.114 1.00 0.00 N ATOM 1052 CA ASN B 8 -5.270 -15.433 -1.728 1.00 0.00 C ATOM 1053 C ASN B 8 -4.815 -15.883 -0.345 1.00 0.00 C ATOM 1054 O ASN B 8 -4.901 -17.056 0.002 1.00 0.00 O ATOM 1055 CB ASN B 8 -5.046 -16.551 -2.752 1.00 0.00 C ATOM 1056 CG ASN B 8 -5.981 -17.734 -2.558 1.00 0.00 C ATOM 1057 OD1 ASN B 8 -6.903 -17.622 -1.607 1.00 0.00 O flip ATOM 1058 ND2 ASN B 8 -5.879 -18.737 -3.264 1.00 0.00 N flip ATOM 0 H ASN B 8 -5.135 -13.415 -2.282 1.00 0.00 H new ATOM 0 HA ASN B 8 -6.336 -15.208 -1.700 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -5.182 -16.149 -3.756 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.014 -16.896 -2.684 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.157 -18.783 -3.983 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -6.516 -19.522 -3.130 1.00 0.00 H new ATOM 1065 N ASN B 9 -4.326 -14.923 0.439 1.00 0.00 N ATOM 1066 CA ASN B 9 -3.843 -15.189 1.789 1.00 0.00 C ATOM 1067 C ASN B 9 -2.570 -16.042 1.759 1.00 0.00 C ATOM 1068 O ASN B 9 -2.520 -17.087 1.108 1.00 0.00 O ATOM 1069 CB ASN B 9 -4.926 -15.880 2.624 1.00 0.00 C ATOM 1070 CG ASN B 9 -6.198 -15.052 2.767 1.00 0.00 C ATOM 1071 OD1 ASN B 9 -6.252 -13.885 2.126 1.00 0.00 O flip ATOM 1072 ND2 ASN B 9 -7.135 -15.468 3.450 1.00 0.00 N flip ATOM 0 H ASN B 9 -4.255 -13.945 0.157 1.00 0.00 H new ATOM 0 HA ASN B 9 -3.603 -14.233 2.253 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -5.174 -16.837 2.165 1.00 0.00 H new ATOM 0 HB3 ASN B 9 -4.528 -16.096 3.616 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -7.059 -16.366 3.927 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -7.987 -14.914 3.538 1.00 0.00 H new ATOM 1079 N ILE B 10 -1.542 -15.575 2.466 1.00 0.00 N ATOM 1080 CA ILE B 10 -0.249 -16.262 2.538 1.00 0.00 C ATOM 1081 C ILE B 10 -0.392 -17.729 2.937 1.00 0.00 C ATOM 1082 O ILE B 10 0.459 -18.552 2.604 1.00 0.00 O ATOM 1083 CB ILE B 10 0.704 -15.567 3.531 1.00 0.00 C ATOM 1084 CG1 ILE B 10 0.139 -15.603 4.960 1.00 0.00 C ATOM 1085 CG2 ILE B 10 0.966 -14.135 3.086 1.00 0.00 C ATOM 1086 CD1 ILE B 10 -1.133 -14.805 5.152 1.00 0.00 C ATOM 0 H ILE B 10 -1.580 -14.710 3.006 1.00 0.00 H new ATOM 0 HA ILE B 10 0.171 -16.214 1.533 1.00 0.00 H new ATOM 0 HB ILE B 10 1.650 -16.109 3.539 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -0.053 -16.640 5.235 1.00 0.00 H new ATOM 0 HG13 ILE B 10 0.897 -15.226 5.647 1.00 0.00 H new ATOM 0 HG21 ILE B 10 1.640 -13.652 3.793 1.00 0.00 H new ATOM 0 HG22 ILE B 10 1.421 -14.139 2.096 1.00 0.00 H new ATOM 0 HG23 ILE B 10 0.024 -13.587 3.050 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -1.461 -14.886 6.188 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -0.946 -13.758 4.912 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -1.910 -15.195 4.494 1.00 0.00 H new ATOM 1098 N ARG B 11 -1.456 -18.048 3.664 1.00 0.00 N ATOM 1099 CA ARG B 11 -1.688 -19.417 4.118 1.00 0.00 C ATOM 1100 C ARG B 11 -1.634 -20.412 2.958 1.00 0.00 C ATOM 1101 O ARG B 11 -0.943 -21.429 3.034 1.00 0.00 O ATOM 1102 CB ARG B 11 -3.040 -19.515 4.833 1.00 0.00 C ATOM 1103 CG ARG B 11 -4.217 -19.056 3.985 1.00 0.00 C ATOM 1104 CD ARG B 11 -5.528 -19.166 4.745 1.00 0.00 C ATOM 1105 NE ARG B 11 -6.665 -18.728 3.941 1.00 0.00 N ATOM 1106 CZ ARG B 11 -7.921 -18.727 4.379 1.00 0.00 C ATOM 1107 NH1 ARG B 11 -8.198 -19.140 5.608 1.00 0.00 N ATOM 1108 NH2 ARG B 11 -8.900 -18.314 3.587 1.00 0.00 N ATOM 0 H ARG B 11 -2.171 -17.380 3.952 1.00 0.00 H new ATOM 0 HA ARG B 11 -0.891 -19.675 4.816 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -3.205 -20.548 5.138 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -3.004 -18.916 5.743 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -4.061 -18.023 3.674 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -4.270 -19.658 3.078 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -5.681 -20.199 5.056 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.473 -18.565 5.652 1.00 0.00 H new ATOM 0 HE ARG B 11 -6.486 -18.405 2.990 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.447 -19.459 6.220 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -9.162 -19.138 5.941 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -8.691 -17.997 2.641 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -9.863 -18.314 3.924 1.00 0.00 H new ATOM 1122 N THR B 12 -2.366 -20.119 1.889 1.00 0.00 N ATOM 1123 CA THR B 12 -2.396 -20.997 0.725 1.00 0.00 C ATOM 1124 C THR B 12 -1.226 -20.724 -0.215 1.00 0.00 C ATOM 1125 O THR B 12 -0.719 -21.637 -0.868 1.00 0.00 O ATOM 1126 CB THR B 12 -3.709 -20.851 -0.065 1.00 0.00 C ATOM 1127 OG1 THR B 12 -3.784 -21.859 -1.080 1.00 0.00 O ATOM 1128 CG2 THR B 12 -3.800 -19.478 -0.712 1.00 0.00 C ATOM 0 H THR B 12 -2.945 -19.283 1.804 1.00 0.00 H new ATOM 0 HA THR B 12 -2.320 -22.014 1.110 1.00 0.00 H new ATOM 0 HB THR B 12 -4.540 -20.968 0.631 1.00 0.00 H new ATOM 0 HG1 THR B 12 -4.623 -21.761 -1.577 1.00 0.00 H new ATOM 0 HG21 THR B 12 -4.736 -19.398 -1.265 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.767 -18.709 0.060 1.00 0.00 H new ATOM 0 HG23 THR B 12 -2.962 -19.342 -1.396 1.00 0.00 H new ATOM 1136 N LEU B 13 -0.819 -19.459 -0.303 1.00 0.00 N ATOM 1137 CA LEU B 13 0.271 -19.075 -1.190 1.00 0.00 C ATOM 1138 C LEU B 13 1.572 -19.767 -0.805 1.00 0.00 C ATOM 1139 O LEU B 13 2.176 -20.456 -1.621 1.00 0.00 O ATOM 1140 CB LEU B 13 0.467 -17.556 -1.182 1.00 0.00 C ATOM 1141 CG LEU B 13 1.317 -17.004 -2.334 1.00 0.00 C ATOM 1142 CD1 LEU B 13 1.320 -15.486 -2.311 1.00 0.00 C ATOM 1143 CD2 LEU B 13 2.742 -17.536 -2.267 1.00 0.00 C ATOM 0 H LEU B 13 -1.226 -18.688 0.227 1.00 0.00 H new ATOM 0 HA LEU B 13 -0.001 -19.393 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -0.512 -17.079 -1.212 1.00 0.00 H new ATOM 0 HB3 LEU B 13 0.932 -17.270 -0.238 1.00 0.00 H new ATOM 0 HG LEU B 13 0.873 -17.340 -3.271 1.00 0.00 H new ATOM 0 HD11 LEU B 13 1.927 -15.111 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.299 -15.119 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU B 13 1.735 -15.137 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU B 13 3.322 -17.129 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU B 13 3.198 -17.237 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.728 -18.624 -2.335 1.00 0.00 H new ATOM 1155 N ARG B 14 2.009 -19.568 0.432 1.00 0.00 N ATOM 1156 CA ARG B 14 3.245 -20.161 0.912 1.00 0.00 C ATOM 1157 C ARG B 14 3.312 -21.648 0.586 1.00 0.00 C ATOM 1158 O ARG B 14 4.394 -22.212 0.441 1.00 0.00 O ATOM 1159 CB ARG B 14 3.367 -19.946 2.416 1.00 0.00 C ATOM 1160 CG ARG B 14 4.641 -20.505 3.010 1.00 0.00 C ATOM 1161 CD ARG B 14 4.835 -20.011 4.427 1.00 0.00 C ATOM 1162 NE ARG B 14 6.105 -20.454 4.991 1.00 0.00 N ATOM 1163 CZ ARG B 14 6.555 -20.070 6.181 1.00 0.00 C ATOM 1164 NH1 ARG B 14 5.846 -19.227 6.919 1.00 0.00 N ATOM 1165 NH2 ARG B 14 7.718 -20.522 6.628 1.00 0.00 N ATOM 0 H ARG B 14 1.521 -18.997 1.122 1.00 0.00 H new ATOM 0 HA ARG B 14 4.077 -19.673 0.405 1.00 0.00 H new ATOM 0 HB2 ARG B 14 3.317 -18.878 2.626 1.00 0.00 H new ATOM 0 HB3 ARG B 14 2.513 -20.409 2.910 1.00 0.00 H new ATOM 0 HG2 ARG B 14 4.604 -21.594 3.002 1.00 0.00 H new ATOM 0 HG3 ARG B 14 5.493 -20.210 2.397 1.00 0.00 H new ATOM 0 HD2 ARG B 14 4.793 -18.922 4.440 1.00 0.00 H new ATOM 0 HD3 ARG B 14 4.016 -20.369 5.051 1.00 0.00 H new ATOM 0 HE ARG B 14 6.679 -21.094 4.442 1.00 0.00 H new ATOM 0 HH11 ARG B 14 4.954 -18.873 6.574 1.00 0.00 H new ATOM 0 HH12 ARG B 14 6.192 -18.933 7.832 1.00 0.00 H new ATOM 0 HH21 ARG B 14 8.268 -21.165 6.059 1.00 0.00 H new ATOM 0 HH22 ARG B 14 8.063 -20.227 7.541 1.00 0.00 H new ATOM 1179 N ALA B 15 2.147 -22.275 0.481 1.00 0.00 N ATOM 1180 CA ALA B 15 2.067 -23.700 0.180 1.00 0.00 C ATOM 1181 C ALA B 15 2.114 -23.974 -1.318 1.00 0.00 C ATOM 1182 O ALA B 15 2.891 -24.810 -1.783 1.00 0.00 O ATOM 1183 CB ALA B 15 0.795 -24.279 0.760 1.00 0.00 C ATOM 0 H ALA B 15 1.243 -21.819 0.600 1.00 0.00 H new ATOM 0 HA ALA B 15 2.936 -24.177 0.633 1.00 0.00 H new ATOM 0 HB1 ALA B 15 0.742 -25.343 0.531 1.00 0.00 H new ATOM 0 HB2 ALA B 15 0.792 -24.140 1.841 1.00 0.00 H new ATOM 0 HB3 ALA B 15 -0.067 -23.772 0.326 1.00 0.00 H new ATOM 1189 N GLN B 16 1.273 -23.274 -2.071 1.00 0.00 N ATOM 1190 CA GLN B 16 1.222 -23.453 -3.519 1.00 0.00 C ATOM 1191 C GLN B 16 2.541 -23.029 -4.139 1.00 0.00 C ATOM 1192 O GLN B 16 3.000 -23.599 -5.129 1.00 0.00 O ATOM 1193 CB GLN B 16 0.071 -22.644 -4.121 1.00 0.00 C ATOM 1194 CG GLN B 16 0.192 -21.150 -3.869 1.00 0.00 C ATOM 1195 CD GLN B 16 -0.972 -20.354 -4.429 1.00 0.00 C ATOM 1196 OE1 GLN B 16 -1.672 -19.636 -3.555 1.00 0.00 O flip ATOM 1197 NE2 GLN B 16 -1.238 -20.381 -5.630 1.00 0.00 N flip ATOM 0 H GLN B 16 0.620 -22.581 -1.706 1.00 0.00 H new ATOM 0 HA GLN B 16 1.050 -24.508 -3.734 1.00 0.00 H new ATOM 0 HB2 GLN B 16 0.033 -22.823 -5.196 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -0.871 -23.001 -3.705 1.00 0.00 H new ATOM 0 HG2 GLN B 16 0.262 -20.973 -2.796 1.00 0.00 H new ATOM 0 HG3 GLN B 16 1.119 -20.787 -4.313 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -0.674 -20.946 -6.265 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -2.023 -19.838 -5.991 1.00 0.00 H new ATOM 1206 N ALA B 17 3.140 -22.025 -3.526 1.00 0.00 N ATOM 1207 CA ALA B 17 4.415 -21.492 -3.966 1.00 0.00 C ATOM 1208 C ALA B 17 5.553 -22.282 -3.359 1.00 0.00 C ATOM 1209 O ALA B 17 6.666 -22.283 -3.884 1.00 0.00 O ATOM 1210 CB ALA B 17 4.538 -20.033 -3.589 1.00 0.00 C ATOM 0 H ALA B 17 2.755 -21.555 -2.707 1.00 0.00 H new ATOM 0 HA ALA B 17 4.467 -21.578 -5.051 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.501 -19.650 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA B 17 3.736 -19.466 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.466 -19.930 -2.506 1.00 0.00 H new ATOM 1216 N ARG B 18 5.267 -22.947 -2.242 1.00 0.00 N ATOM 1217 CA ARG B 18 6.267 -23.746 -1.553 1.00 0.00 C ATOM 1218 C ARG B 18 7.064 -24.572 -2.554 1.00 0.00 C ATOM 1219 O ARG B 18 8.246 -24.850 -2.349 1.00 0.00 O ATOM 1220 CB ARG B 18 5.583 -24.663 -0.544 1.00 0.00 C ATOM 1221 CG ARG B 18 6.540 -25.503 0.277 1.00 0.00 C ATOM 1222 CD ARG B 18 5.778 -26.338 1.287 1.00 0.00 C ATOM 1223 NE ARG B 18 6.664 -27.155 2.113 1.00 0.00 N ATOM 1224 CZ ARG B 18 7.443 -28.119 1.634 1.00 0.00 C ATOM 1225 NH1 ARG B 18 7.437 -28.403 0.338 1.00 0.00 N ATOM 1226 NH2 ARG B 18 8.229 -28.807 2.452 1.00 0.00 N ATOM 0 H ARG B 18 4.349 -22.946 -1.798 1.00 0.00 H new ATOM 0 HA ARG B 18 6.953 -23.082 -1.027 1.00 0.00 H new ATOM 0 HB2 ARG B 18 4.979 -24.056 0.130 1.00 0.00 H new ATOM 0 HB3 ARG B 18 4.900 -25.325 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG B 18 7.118 -26.153 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG B 18 7.251 -24.857 0.792 1.00 0.00 H new ATOM 0 HD2 ARG B 18 5.190 -25.681 1.928 1.00 0.00 H new ATOM 0 HD3 ARG B 18 5.074 -26.985 0.763 1.00 0.00 H new ATOM 0 HE ARG B 18 6.686 -26.975 3.117 1.00 0.00 H new ATOM 0 HH11 ARG B 18 6.832 -27.880 -0.296 1.00 0.00 H new ATOM 0 HH12 ARG B 18 8.037 -29.144 -0.025 1.00 0.00 H new ATOM 0 HH21 ARG B 18 8.236 -28.596 3.450 1.00 0.00 H new ATOM 0 HH22 ARG B 18 8.826 -29.547 2.083 1.00 0.00 H new ATOM 1240 N GLU B 19 6.402 -24.955 -3.639 1.00 0.00 N ATOM 1241 CA GLU B 19 7.041 -25.748 -4.682 1.00 0.00 C ATOM 1242 C GLU B 19 7.582 -24.861 -5.806 1.00 0.00 C ATOM 1243 O GLU B 19 7.554 -25.248 -6.974 1.00 0.00 O ATOM 1244 CB GLU B 19 6.052 -26.766 -5.252 1.00 0.00 C ATOM 1245 CG GLU B 19 4.803 -26.136 -5.847 1.00 0.00 C ATOM 1246 CD GLU B 19 3.842 -27.166 -6.409 1.00 0.00 C ATOM 1247 OE1 GLU B 19 3.378 -28.028 -5.636 1.00 0.00 O ATOM 1248 OE2 GLU B 19 3.555 -27.107 -7.624 1.00 0.00 O ATOM 0 H GLU B 19 5.424 -24.730 -3.820 1.00 0.00 H new ATOM 0 HA GLU B 19 7.882 -26.275 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.553 -27.355 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU B 19 5.759 -27.457 -4.461 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.295 -25.551 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU B 19 5.091 -25.444 -6.638 1.00 0.00 H new ATOM 1255 N SER B 20 8.077 -23.675 -5.453 1.00 0.00 N ATOM 1256 CA SER B 20 8.621 -22.755 -6.450 1.00 0.00 C ATOM 1257 C SER B 20 9.380 -21.598 -5.798 1.00 0.00 C ATOM 1258 O SER B 20 9.755 -21.668 -4.627 1.00 0.00 O ATOM 1259 CB SER B 20 7.495 -22.209 -7.330 1.00 0.00 C ATOM 1260 OG SER B 20 6.543 -21.498 -6.557 1.00 0.00 O ATOM 0 H SER B 20 8.112 -23.331 -4.493 1.00 0.00 H new ATOM 0 HA SER B 20 9.327 -23.313 -7.065 1.00 0.00 H new ATOM 0 HB2 SER B 20 7.912 -21.552 -8.094 1.00 0.00 H new ATOM 0 HB3 SER B 20 7.004 -23.032 -7.850 1.00 0.00 H new ATOM 0 HG SER B 20 6.663 -21.716 -5.609 1.00 0.00 H new ATOM 1266 N THR B 21 9.601 -20.539 -6.574 1.00 0.00 N ATOM 1267 CA THR B 21 10.317 -19.358 -6.097 1.00 0.00 C ATOM 1268 C THR B 21 9.361 -18.350 -5.466 1.00 0.00 C ATOM 1269 O THR B 21 8.174 -18.323 -5.788 1.00 0.00 O ATOM 1270 CB THR B 21 11.088 -18.674 -7.245 1.00 0.00 C ATOM 1271 OG1 THR B 21 12.020 -19.593 -7.825 1.00 0.00 O ATOM 1272 CG2 THR B 21 11.834 -17.441 -6.749 1.00 0.00 C ATOM 0 H THR B 21 9.292 -20.475 -7.544 1.00 0.00 H new ATOM 0 HA THR B 21 11.026 -19.698 -5.342 1.00 0.00 H new ATOM 0 HB THR B 21 10.363 -18.361 -7.997 1.00 0.00 H new ATOM 0 HG1 THR B 21 12.504 -19.152 -8.554 1.00 0.00 H new ATOM 0 HG21 THR B 21 12.368 -16.980 -7.580 1.00 0.00 H new ATOM 0 HG22 THR B 21 11.122 -16.727 -6.335 1.00 0.00 H new ATOM 0 HG23 THR B 21 12.546 -17.733 -5.977 1.00 0.00 H new ATOM 1280 N LEU B 22 9.889 -17.513 -4.574 1.00 0.00 N ATOM 1281 CA LEU B 22 9.092 -16.500 -3.912 1.00 0.00 C ATOM 1282 C LEU B 22 8.508 -15.537 -4.934 1.00 0.00 C ATOM 1283 O LEU B 22 7.644 -14.744 -4.606 1.00 0.00 O ATOM 1284 CB LEU B 22 9.911 -15.733 -2.871 1.00 0.00 C ATOM 1285 CG LEU B 22 10.452 -14.376 -3.324 1.00 0.00 C ATOM 1286 CD1 LEU B 22 11.009 -13.617 -2.135 1.00 0.00 C ATOM 1287 CD2 LEU B 22 11.509 -14.536 -4.403 1.00 0.00 C ATOM 0 H LEU B 22 10.871 -17.523 -4.297 1.00 0.00 H new ATOM 0 HA LEU B 22 8.278 -17.005 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.291 -15.580 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU B 22 10.752 -16.356 -2.566 1.00 0.00 H new ATOM 0 HG LEU B 22 9.629 -13.805 -3.753 1.00 0.00 H new ATOM 0 HD11 LEU B 22 11.392 -12.652 -2.466 1.00 0.00 H new ATOM 0 HD12 LEU B 22 10.219 -13.461 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.817 -14.192 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.874 -13.554 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU B 22 12.338 -15.128 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.075 -15.041 -5.266 1.00 0.00 H new ATOM 1299 N GLU B 23 9.004 -15.596 -6.167 1.00 0.00 N ATOM 1300 CA GLU B 23 8.535 -14.707 -7.229 1.00 0.00 C ATOM 1301 C GLU B 23 7.026 -14.501 -7.139 1.00 0.00 C ATOM 1302 O GLU B 23 6.502 -13.469 -7.568 1.00 0.00 O ATOM 1303 CB GLU B 23 8.899 -15.281 -8.597 1.00 0.00 C ATOM 1304 CG GLU B 23 8.480 -14.399 -9.762 1.00 0.00 C ATOM 1305 CD GLU B 23 8.852 -14.990 -11.109 1.00 0.00 C ATOM 1306 OE1 GLU B 23 9.443 -16.090 -11.133 1.00 0.00 O ATOM 1307 OE2 GLU B 23 8.554 -14.351 -12.140 1.00 0.00 O ATOM 0 H GLU B 23 9.731 -16.250 -6.457 1.00 0.00 H new ATOM 0 HA GLU B 23 9.024 -13.741 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU B 23 9.977 -15.437 -8.640 1.00 0.00 H new ATOM 0 HB3 GLU B 23 8.431 -16.259 -8.707 1.00 0.00 H new ATOM 0 HG2 GLU B 23 7.402 -14.242 -9.724 1.00 0.00 H new ATOM 0 HG3 GLU B 23 8.948 -13.420 -9.658 1.00 0.00 H new ATOM 1314 N THR B 24 6.334 -15.473 -6.545 1.00 0.00 N ATOM 1315 CA THR B 24 4.895 -15.379 -6.359 1.00 0.00 C ATOM 1316 C THR B 24 4.548 -14.046 -5.710 1.00 0.00 C ATOM 1317 O THR B 24 3.577 -13.394 -6.088 1.00 0.00 O ATOM 1318 CB THR B 24 4.357 -16.527 -5.488 1.00 0.00 C ATOM 1319 OG1 THR B 24 4.988 -16.504 -4.202 1.00 0.00 O ATOM 1320 CG2 THR B 24 4.604 -17.868 -6.157 1.00 0.00 C ATOM 0 H THR B 24 6.751 -16.332 -6.186 1.00 0.00 H new ATOM 0 HA THR B 24 4.427 -15.452 -7.341 1.00 0.00 H new ATOM 0 HB THR B 24 3.283 -16.391 -5.365 1.00 0.00 H new ATOM 0 HG1 THR B 24 5.326 -17.399 -3.987 1.00 0.00 H new ATOM 0 HG21 THR B 24 4.216 -18.667 -5.525 1.00 0.00 H new ATOM 0 HG22 THR B 24 4.099 -17.891 -7.123 1.00 0.00 H new ATOM 0 HG23 THR B 24 5.675 -18.009 -6.304 1.00 0.00 H new ATOM 1328 N LEU B 25 5.369 -13.633 -4.742 1.00 0.00 N ATOM 1329 CA LEU B 25 5.161 -12.360 -4.077 1.00 0.00 C ATOM 1330 C LEU B 25 5.432 -11.220 -5.045 1.00 0.00 C ATOM 1331 O LEU B 25 4.664 -10.274 -5.132 1.00 0.00 O ATOM 1332 CB LEU B 25 6.010 -12.218 -2.800 1.00 0.00 C ATOM 1333 CG LEU B 25 7.473 -12.689 -2.848 1.00 0.00 C ATOM 1334 CD1 LEU B 25 8.308 -11.857 -3.808 1.00 0.00 C ATOM 1335 CD2 LEU B 25 8.075 -12.621 -1.455 1.00 0.00 C ATOM 0 H LEU B 25 6.175 -14.161 -4.409 1.00 0.00 H new ATOM 0 HA LEU B 25 4.119 -12.318 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU B 25 6.007 -11.167 -2.513 1.00 0.00 H new ATOM 0 HB3 LEU B 25 5.509 -12.767 -2.003 1.00 0.00 H new ATOM 0 HG LEU B 25 7.480 -13.717 -3.210 1.00 0.00 H new ATOM 0 HD11 LEU B 25 9.334 -12.225 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU B 25 7.893 -11.935 -4.813 1.00 0.00 H new ATOM 0 HD13 LEU B 25 8.297 -10.814 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU B 25 9.112 -12.955 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU B 25 8.037 -11.594 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU B 25 7.509 -13.265 -0.782 1.00 0.00 H new ATOM 1347 N GLU B 26 6.506 -11.318 -5.809 1.00 0.00 N ATOM 1348 CA GLU B 26 6.799 -10.283 -6.775 1.00 0.00 C ATOM 1349 C GLU B 26 5.610 -10.153 -7.715 1.00 0.00 C ATOM 1350 O GLU B 26 5.380 -9.106 -8.312 1.00 0.00 O ATOM 1351 CB GLU B 26 8.088 -10.586 -7.541 1.00 0.00 C ATOM 1352 CG GLU B 26 8.319 -9.669 -8.733 1.00 0.00 C ATOM 1353 CD GLU B 26 9.624 -9.951 -9.447 1.00 0.00 C ATOM 1354 OE1 GLU B 26 10.689 -9.827 -8.806 1.00 0.00 O ATOM 1355 OE2 GLU B 26 9.584 -10.295 -10.646 1.00 0.00 O ATOM 0 H GLU B 26 7.175 -12.088 -5.779 1.00 0.00 H new ATOM 0 HA GLU B 26 6.961 -9.336 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU B 26 8.934 -10.502 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU B 26 8.060 -11.619 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU B 26 7.494 -9.781 -9.436 1.00 0.00 H new ATOM 0 HG3 GLU B 26 8.312 -8.633 -8.395 1.00 0.00 H new ATOM 1362 N GLU B 27 4.838 -11.232 -7.810 1.00 0.00 N ATOM 1363 CA GLU B 27 3.648 -11.241 -8.648 1.00 0.00 C ATOM 1364 C GLU B 27 2.454 -10.644 -7.900 1.00 0.00 C ATOM 1365 O GLU B 27 1.802 -9.728 -8.389 1.00 0.00 O ATOM 1366 CB GLU B 27 3.324 -12.669 -9.096 1.00 0.00 C ATOM 1367 CG GLU B 27 2.103 -12.764 -9.996 1.00 0.00 C ATOM 1368 CD GLU B 27 2.261 -11.970 -11.278 1.00 0.00 C ATOM 1369 OE1 GLU B 27 3.199 -12.264 -12.048 1.00 0.00 O ATOM 1370 OE2 GLU B 27 1.444 -11.054 -11.513 1.00 0.00 O ATOM 0 H GLU B 27 5.016 -12.108 -7.318 1.00 0.00 H new ATOM 0 HA GLU B 27 3.847 -10.630 -9.528 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.186 -13.080 -9.623 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.164 -13.290 -8.214 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.917 -13.810 -10.241 1.00 0.00 H new ATOM 0 HG3 GLU B 27 1.228 -12.403 -9.455 1.00 0.00 H new ATOM 1377 N MET B 28 2.172 -11.186 -6.715 1.00 0.00 N ATOM 1378 CA MET B 28 1.052 -10.726 -5.895 1.00 0.00 C ATOM 1379 C MET B 28 1.453 -9.607 -4.928 1.00 0.00 C ATOM 1380 O MET B 28 0.757 -8.604 -4.809 1.00 0.00 O ATOM 1381 CB MET B 28 0.463 -11.899 -5.109 1.00 0.00 C ATOM 1382 CG MET B 28 -0.046 -13.026 -5.993 1.00 0.00 C ATOM 1383 SD MET B 28 -0.711 -14.407 -5.044 1.00 0.00 S ATOM 1384 CE MET B 28 -1.210 -15.514 -6.361 1.00 0.00 C ATOM 0 H MET B 28 2.708 -11.948 -6.300 1.00 0.00 H new ATOM 0 HA MET B 28 0.304 -10.318 -6.575 1.00 0.00 H new ATOM 0 HB2 MET B 28 1.223 -12.292 -4.434 1.00 0.00 H new ATOM 0 HB3 MET B 28 -0.357 -11.536 -4.489 1.00 0.00 H new ATOM 0 HG2 MET B 28 -0.820 -12.641 -6.657 1.00 0.00 H new ATOM 0 HG3 MET B 28 0.767 -13.383 -6.625 1.00 0.00 H new ATOM 0 HE1 MET B 28 -1.642 -16.418 -5.932 1.00 0.00 H new ATOM 0 HE2 MET B 28 -1.951 -15.021 -6.990 1.00 0.00 H new ATOM 0 HE3 MET B 28 -0.341 -15.778 -6.963 1.00 0.00 H new ATOM 1394 N LEU B 29 2.573 -9.801 -4.238 1.00 0.00 N ATOM 1395 CA LEU B 29 3.084 -8.825 -3.263 1.00 0.00 C ATOM 1396 C LEU B 29 3.400 -7.483 -3.927 1.00 0.00 C ATOM 1397 O LEU B 29 3.101 -6.427 -3.374 1.00 0.00 O ATOM 1398 CB LEU B 29 4.323 -9.410 -2.559 1.00 0.00 C ATOM 1399 CG LEU B 29 5.185 -8.436 -1.757 1.00 0.00 C ATOM 1400 CD1 LEU B 29 4.516 -8.074 -0.446 1.00 0.00 C ATOM 1401 CD2 LEU B 29 6.550 -9.051 -1.501 1.00 0.00 C ATOM 0 H LEU B 29 3.155 -10.633 -4.334 1.00 0.00 H new ATOM 0 HA LEU B 29 2.312 -8.632 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU B 29 3.990 -10.201 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU B 29 4.953 -9.878 -3.315 1.00 0.00 H new ATOM 0 HG LEU B 29 5.307 -7.521 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU B 29 5.149 -7.380 0.106 1.00 0.00 H new ATOM 0 HD12 LEU B 29 3.553 -7.605 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.364 -8.976 0.146 1.00 0.00 H new ATOM 0 HD21 LEU B 29 7.162 -8.354 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU B 29 6.432 -9.977 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU B 29 7.037 -9.265 -2.452 1.00 0.00 H new ATOM 1413 N GLU B 30 3.986 -7.522 -5.117 1.00 0.00 N ATOM 1414 CA GLU B 30 4.312 -6.293 -5.840 1.00 0.00 C ATOM 1415 C GLU B 30 3.049 -5.509 -6.178 1.00 0.00 C ATOM 1416 O GLU B 30 3.053 -4.279 -6.186 1.00 0.00 O ATOM 1417 CB GLU B 30 5.070 -6.605 -7.130 1.00 0.00 C ATOM 1418 CG GLU B 30 5.282 -5.389 -8.020 1.00 0.00 C ATOM 1419 CD GLU B 30 6.025 -5.721 -9.300 1.00 0.00 C ATOM 1420 OE1 GLU B 30 6.380 -6.903 -9.493 1.00 0.00 O ATOM 1421 OE2 GLU B 30 6.252 -4.799 -10.110 1.00 0.00 O ATOM 0 H GLU B 30 4.245 -8.382 -5.601 1.00 0.00 H new ATOM 0 HA GLU B 30 4.945 -5.689 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU B 30 6.040 -7.034 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU B 30 4.522 -7.363 -7.689 1.00 0.00 H new ATOM 0 HG2 GLU B 30 4.314 -4.954 -8.269 1.00 0.00 H new ATOM 0 HG3 GLU B 30 5.839 -4.632 -7.467 1.00 0.00 H new ATOM 1428 N LYS B 31 1.974 -6.231 -6.462 1.00 0.00 N ATOM 1429 CA LYS B 31 0.705 -5.610 -6.809 1.00 0.00 C ATOM 1430 C LYS B 31 -0.075 -5.306 -5.552 1.00 0.00 C ATOM 1431 O LYS B 31 -0.890 -4.387 -5.505 1.00 0.00 O ATOM 1432 CB LYS B 31 -0.089 -6.525 -7.732 1.00 0.00 C ATOM 1433 CG LYS B 31 0.775 -7.141 -8.814 1.00 0.00 C ATOM 1434 CD LYS B 31 1.433 -6.082 -9.686 1.00 0.00 C ATOM 1435 CE LYS B 31 2.421 -6.701 -10.660 1.00 0.00 C ATOM 1436 NZ LYS B 31 3.046 -5.679 -11.543 1.00 0.00 N ATOM 0 H LYS B 31 1.956 -7.251 -6.459 1.00 0.00 H new ATOM 0 HA LYS B 31 0.892 -4.674 -7.335 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.551 -7.318 -7.144 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -0.897 -5.958 -8.194 1.00 0.00 H new ATOM 0 HG2 LYS B 31 1.544 -7.762 -8.355 1.00 0.00 H new ATOM 0 HG3 LYS B 31 0.165 -7.796 -9.436 1.00 0.00 H new ATOM 0 HD2 LYS B 31 0.668 -5.537 -10.239 1.00 0.00 H new ATOM 0 HD3 LYS B 31 1.947 -5.357 -9.055 1.00 0.00 H new ATOM 0 HE2 LYS B 31 3.199 -7.225 -10.104 1.00 0.00 H new ATOM 0 HE3 LYS B 31 1.910 -7.445 -11.271 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 3.713 -6.142 -12.192 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.307 -5.196 -12.093 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 3.555 -4.983 -10.962 1.00 0.00 H new ATOM 1450 N LEU B 32 0.205 -6.084 -4.525 1.00 0.00 N ATOM 1451 CA LEU B 32 -0.432 -5.907 -3.244 1.00 0.00 C ATOM 1452 C LEU B 32 0.069 -4.621 -2.612 1.00 0.00 C ATOM 1453 O LEU B 32 -0.607 -4.008 -1.788 1.00 0.00 O ATOM 1454 CB LEU B 32 -0.142 -7.097 -2.347 1.00 0.00 C ATOM 1455 CG LEU B 32 -0.814 -7.033 -0.977 1.00 0.00 C ATOM 1456 CD1 LEU B 32 -2.324 -6.953 -1.129 1.00 0.00 C ATOM 1457 CD2 LEU B 32 -0.426 -8.238 -0.151 1.00 0.00 C ATOM 0 H LEU B 32 0.877 -6.851 -4.559 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.512 -5.840 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.465 -8.006 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.936 -7.176 -2.206 1.00 0.00 H new ATOM 0 HG LEU B 32 -0.475 -6.134 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -2.787 -6.908 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.586 -6.058 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -2.684 -7.835 -1.659 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -0.911 -8.182 0.824 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.743 -9.147 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU B 32 0.656 -8.255 -0.018 1.00 0.00 H new ATOM 1469 N GLU B 33 1.262 -4.212 -3.020 1.00 0.00 N ATOM 1470 CA GLU B 33 1.840 -2.982 -2.511 1.00 0.00 C ATOM 1471 C GLU B 33 1.349 -1.808 -3.351 1.00 0.00 C ATOM 1472 O GLU B 33 1.097 -0.726 -2.826 1.00 0.00 O ATOM 1473 CB GLU B 33 3.373 -3.064 -2.464 1.00 0.00 C ATOM 1474 CG GLU B 33 4.082 -2.748 -3.772 1.00 0.00 C ATOM 1475 CD GLU B 33 4.155 -1.260 -4.045 1.00 0.00 C ATOM 1476 OE1 GLU B 33 4.661 -0.528 -3.172 1.00 0.00 O ATOM 1477 OE2 GLU B 33 3.715 -0.826 -5.125 1.00 0.00 O ATOM 0 H GLU B 33 1.842 -4.710 -3.695 1.00 0.00 H new ATOM 0 HA GLU B 33 1.512 -2.827 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.734 -2.376 -1.699 1.00 0.00 H new ATOM 0 HB3 GLU B 33 3.657 -4.068 -2.149 1.00 0.00 H new ATOM 0 HG2 GLU B 33 5.091 -3.159 -3.744 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.560 -3.240 -4.593 1.00 0.00 H new ATOM 1484 N VAL B 34 1.185 -2.037 -4.660 1.00 0.00 N ATOM 1485 CA VAL B 34 0.689 -0.994 -5.552 1.00 0.00 C ATOM 1486 C VAL B 34 -0.783 -0.729 -5.259 1.00 0.00 C ATOM 1487 O VAL B 34 -1.242 0.415 -5.306 1.00 0.00 O ATOM 1488 CB VAL B 34 0.851 -1.339 -7.051 1.00 0.00 C ATOM 1489 CG1 VAL B 34 2.286 -1.724 -7.372 1.00 0.00 C ATOM 1490 CG2 VAL B 34 -0.110 -2.437 -7.475 1.00 0.00 C ATOM 0 H VAL B 34 1.387 -2.926 -5.116 1.00 0.00 H new ATOM 0 HA VAL B 34 1.294 -0.108 -5.360 1.00 0.00 H new ATOM 0 HB VAL B 34 0.605 -0.443 -7.621 1.00 0.00 H new ATOM 0 HG11 VAL B 34 2.370 -1.961 -8.432 1.00 0.00 H new ATOM 0 HG12 VAL B 34 2.948 -0.892 -7.133 1.00 0.00 H new ATOM 0 HG13 VAL B 34 2.570 -2.595 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL B 34 0.031 -2.655 -8.534 1.00 0.00 H new ATOM 0 HG22 VAL B 34 0.084 -3.336 -6.891 1.00 0.00 H new ATOM 0 HG23 VAL B 34 -1.135 -2.109 -7.305 1.00 0.00 H new ATOM 1500 N VAL B 35 -1.520 -1.796 -4.933 1.00 0.00 N ATOM 1501 CA VAL B 35 -2.931 -1.659 -4.607 1.00 0.00 C ATOM 1502 C VAL B 35 -3.071 -0.737 -3.412 1.00 0.00 C ATOM 1503 O VAL B 35 -3.813 0.242 -3.456 1.00 0.00 O ATOM 1504 CB VAL B 35 -3.610 -3.019 -4.306 1.00 0.00 C ATOM 1505 CG1 VAL B 35 -2.915 -3.749 -3.173 1.00 0.00 C ATOM 1506 CG2 VAL B 35 -5.077 -2.825 -3.971 1.00 0.00 C ATOM 0 H VAL B 35 -1.162 -2.750 -4.890 1.00 0.00 H new ATOM 0 HA VAL B 35 -3.436 -1.241 -5.478 1.00 0.00 H new ATOM 0 HB VAL B 35 -3.528 -3.629 -5.206 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -3.418 -4.698 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -1.876 -3.935 -3.444 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -2.951 -3.139 -2.271 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -5.534 -3.793 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -5.168 -2.185 -3.094 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -5.584 -2.358 -4.815 1.00 0.00 H new ATOM 1516 N VAL B 36 -2.316 -1.028 -2.357 1.00 0.00 N ATOM 1517 CA VAL B 36 -2.334 -0.193 -1.173 1.00 0.00 C ATOM 1518 C VAL B 36 -1.553 1.076 -1.431 1.00 0.00 C ATOM 1519 O VAL B 36 -1.715 2.045 -0.725 1.00 0.00 O ATOM 1520 CB VAL B 36 -1.775 -0.882 0.081 1.00 0.00 C ATOM 1521 CG1 VAL B 36 -0.283 -1.155 -0.050 1.00 0.00 C ATOM 1522 CG2 VAL B 36 -2.084 -0.047 1.314 1.00 0.00 C ATOM 0 H VAL B 36 -1.690 -1.831 -2.303 1.00 0.00 H new ATOM 0 HA VAL B 36 -3.383 0.025 -0.972 1.00 0.00 H new ATOM 0 HB VAL B 36 -2.264 -1.850 0.189 1.00 0.00 H new ATOM 0 HG11 VAL B 36 0.078 -1.643 0.855 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.106 -1.804 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL B 36 0.248 -0.214 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -1.684 -0.543 2.199 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -1.626 0.937 1.211 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -3.163 0.064 1.417 1.00 0.00 H new ATOM 1532 N ASN B 37 -0.700 1.060 -2.448 1.00 0.00 N ATOM 1533 CA ASN B 37 0.095 2.234 -2.792 1.00 0.00 C ATOM 1534 C ASN B 37 -0.837 3.399 -3.068 1.00 0.00 C ATOM 1535 O ASN B 37 -0.666 4.495 -2.534 1.00 0.00 O ATOM 1536 CB ASN B 37 0.945 1.949 -4.028 1.00 0.00 C ATOM 1537 CG ASN B 37 1.983 3.016 -4.298 1.00 0.00 C ATOM 1538 OD1 ASN B 37 1.666 4.199 -4.402 1.00 0.00 O ATOM 1539 ND2 ASN B 37 3.233 2.590 -4.430 1.00 0.00 N ATOM 0 H ASN B 37 -0.541 0.250 -3.048 1.00 0.00 H new ATOM 0 HA ASN B 37 0.757 2.480 -1.962 1.00 0.00 H new ATOM 0 HB2 ASN B 37 1.445 0.989 -3.903 1.00 0.00 H new ATOM 0 HB3 ASN B 37 0.293 1.858 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN B 37 3.981 3.256 -4.627 1.00 0.00 H new ATOM 0 HD22 ASN B 37 3.446 1.597 -4.335 1.00 0.00 H new ATOM 1546 N GLU B 38 -1.843 3.133 -3.887 1.00 0.00 N ATOM 1547 CA GLU B 38 -2.837 4.142 -4.219 1.00 0.00 C ATOM 1548 C GLU B 38 -3.660 4.466 -2.981 1.00 0.00 C ATOM 1549 O GLU B 38 -3.938 5.627 -2.687 1.00 0.00 O ATOM 1550 CB GLU B 38 -3.748 3.649 -5.345 1.00 0.00 C ATOM 1551 CG GLU B 38 -3.004 3.321 -6.629 1.00 0.00 C ATOM 1552 CD GLU B 38 -3.926 2.833 -7.729 1.00 0.00 C ATOM 1553 OE1 GLU B 38 -4.602 1.803 -7.525 1.00 0.00 O ATOM 1554 OE2 GLU B 38 -3.974 3.483 -8.796 1.00 0.00 O ATOM 0 H GLU B 38 -1.993 2.228 -4.333 1.00 0.00 H new ATOM 0 HA GLU B 38 -2.329 5.043 -4.562 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -4.282 2.761 -5.007 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -4.498 4.411 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -2.472 4.208 -6.973 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -2.253 2.558 -6.425 1.00 0.00 H new ATOM 1561 N ARG B 39 -4.029 3.418 -2.249 1.00 0.00 N ATOM 1562 CA ARG B 39 -4.807 3.563 -1.023 1.00 0.00 C ATOM 1563 C ARG B 39 -3.985 4.215 0.082 1.00 0.00 C ATOM 1564 O ARG B 39 -4.515 4.899 0.943 1.00 0.00 O ATOM 1565 CB ARG B 39 -5.295 2.201 -0.536 1.00 0.00 C ATOM 1566 CG ARG B 39 -6.510 1.664 -1.269 1.00 0.00 C ATOM 1567 CD ARG B 39 -6.227 1.405 -2.733 1.00 0.00 C ATOM 1568 NE ARG B 39 -7.452 1.341 -3.528 1.00 0.00 N ATOM 1569 CZ ARG B 39 -8.316 2.351 -3.634 1.00 0.00 C ATOM 1570 NH1 ARG B 39 -8.100 3.487 -2.986 1.00 0.00 N ATOM 1571 NH2 ARG B 39 -9.399 2.219 -4.387 1.00 0.00 N ATOM 0 H ARG B 39 -3.799 2.453 -2.486 1.00 0.00 H new ATOM 0 HA ARG B 39 -5.660 4.201 -1.254 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -4.481 1.482 -0.634 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -5.531 2.273 0.526 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -6.838 0.739 -0.795 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -7.330 2.376 -1.180 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.584 2.194 -3.122 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.680 0.468 -2.836 1.00 0.00 H new ATOM 0 HE ARG B 39 -7.657 0.477 -4.029 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -7.270 3.592 -2.403 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -8.764 4.257 -3.071 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.571 1.345 -4.885 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -10.061 2.991 -4.469 1.00 0.00 H new ATOM 1585 N ARG B 40 -2.689 3.976 0.051 1.00 0.00 N ATOM 1586 CA ARG B 40 -1.775 4.511 1.050 1.00 0.00 C ATOM 1587 C ARG B 40 -1.703 6.029 0.949 1.00 0.00 C ATOM 1588 O ARG B 40 -1.727 6.735 1.960 1.00 0.00 O ATOM 1589 CB ARG B 40 -0.381 3.880 0.875 1.00 0.00 C ATOM 1590 CG ARG B 40 -0.064 2.744 1.847 1.00 0.00 C ATOM 1591 CD ARG B 40 0.031 3.235 3.285 1.00 0.00 C ATOM 1592 NE ARG B 40 -1.256 3.689 3.807 1.00 0.00 N ATOM 1593 CZ ARG B 40 -1.417 4.212 5.020 1.00 0.00 C ATOM 1594 NH1 ARG B 40 -0.376 4.347 5.832 1.00 0.00 N ATOM 1595 NH2 ARG B 40 -2.619 4.599 5.421 1.00 0.00 N ATOM 0 H ARG B 40 -2.237 3.407 -0.665 1.00 0.00 H new ATOM 0 HA ARG B 40 -2.147 4.259 2.043 1.00 0.00 H new ATOM 0 HB2 ARG B 40 -0.294 3.502 -0.144 1.00 0.00 H new ATOM 0 HB3 ARG B 40 0.372 4.659 0.991 1.00 0.00 H new ATOM 0 HG2 ARG B 40 -0.837 1.979 1.775 1.00 0.00 H new ATOM 0 HG3 ARG B 40 0.877 2.274 1.561 1.00 0.00 H new ATOM 0 HD2 ARG B 40 0.412 2.432 3.915 1.00 0.00 H new ATOM 0 HD3 ARG B 40 0.750 4.052 3.340 1.00 0.00 H new ATOM 0 HE ARG B 40 -2.077 3.600 3.208 1.00 0.00 H new ATOM 0 HH11 ARG B 40 0.551 4.050 5.527 1.00 0.00 H new ATOM 0 HH12 ARG B 40 -0.503 4.748 6.761 1.00 0.00 H new ATOM 0 HH21 ARG B 40 -3.421 4.496 4.800 1.00 0.00 H new ATOM 0 HH22 ARG B 40 -2.742 5.000 6.351 1.00 0.00 H new ATOM 1609 N GLU B 41 -1.616 6.525 -0.279 1.00 0.00 N ATOM 1610 CA GLU B 41 -1.539 7.962 -0.525 1.00 0.00 C ATOM 1611 C GLU B 41 -2.923 8.627 -0.551 1.00 0.00 C ATOM 1612 O GLU B 41 -3.051 9.813 -0.245 1.00 0.00 O ATOM 1613 CB GLU B 41 -0.814 8.229 -1.846 1.00 0.00 C ATOM 1614 CG GLU B 41 -1.488 7.591 -3.050 1.00 0.00 C ATOM 1615 CD GLU B 41 -0.751 7.869 -4.346 1.00 0.00 C ATOM 1616 OE1 GLU B 41 0.432 7.485 -4.451 1.00 0.00 O ATOM 1617 OE2 GLU B 41 -1.359 8.472 -5.256 1.00 0.00 O ATOM 0 H GLU B 41 -1.597 5.953 -1.123 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.981 8.400 0.302 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -0.750 9.306 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU B 41 0.208 7.856 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.553 6.514 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -2.509 7.964 -3.130 1.00 0.00 H new ATOM 1624 N GLU B 42 -3.951 7.873 -0.940 1.00 0.00 N ATOM 1625 CA GLU B 42 -5.308 8.417 -1.029 1.00 0.00 C ATOM 1626 C GLU B 42 -6.048 8.337 0.303 1.00 0.00 C ATOM 1627 O GLU B 42 -6.775 9.259 0.671 1.00 0.00 O ATOM 1628 CB GLU B 42 -6.106 7.691 -2.112 1.00 0.00 C ATOM 1629 CG GLU B 42 -5.569 7.918 -3.516 1.00 0.00 C ATOM 1630 CD GLU B 42 -6.376 7.191 -4.573 1.00 0.00 C ATOM 1631 OE1 GLU B 42 -7.589 7.469 -4.691 1.00 0.00 O ATOM 1632 OE2 GLU B 42 -5.796 6.344 -5.286 1.00 0.00 O ATOM 0 H GLU B 42 -3.872 6.889 -1.197 1.00 0.00 H new ATOM 0 HA GLU B 42 -5.214 9.470 -1.293 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -6.103 6.622 -1.899 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -7.144 8.022 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -5.571 8.986 -3.733 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -4.532 7.585 -3.563 1.00 0.00 H new ATOM 1639 N GLU B 43 -5.869 7.235 1.016 1.00 0.00 N ATOM 1640 CA GLU B 43 -6.530 7.050 2.303 1.00 0.00 C ATOM 1641 C GLU B 43 -6.083 8.108 3.294 1.00 0.00 C ATOM 1642 O GLU B 43 -6.907 8.717 3.975 1.00 0.00 O ATOM 1643 CB GLU B 43 -6.266 5.657 2.849 1.00 0.00 C ATOM 1644 CG GLU B 43 -7.207 4.620 2.273 1.00 0.00 C ATOM 1645 CD GLU B 43 -8.621 4.757 2.806 1.00 0.00 C ATOM 1646 OE1 GLU B 43 -9.228 5.830 2.613 1.00 0.00 O ATOM 1647 OE2 GLU B 43 -9.121 3.789 3.416 1.00 0.00 O ATOM 0 H GLU B 43 -5.275 6.457 0.729 1.00 0.00 H new ATOM 0 HA GLU B 43 -7.604 7.158 2.151 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -5.237 5.372 2.627 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.366 5.671 3.934 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -7.221 4.711 1.187 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -6.830 3.624 2.505 1.00 0.00 H new ATOM 1654 N SER B 44 -4.776 8.351 3.350 1.00 0.00 N ATOM 1655 CA SER B 44 -4.247 9.375 4.237 1.00 0.00 C ATOM 1656 C SER B 44 -4.930 10.688 3.901 1.00 0.00 C ATOM 1657 O SER B 44 -5.205 11.517 4.771 1.00 0.00 O ATOM 1658 CB SER B 44 -2.730 9.504 4.075 1.00 0.00 C ATOM 1659 OG SER B 44 -2.209 10.501 4.936 1.00 0.00 O ATOM 0 H SER B 44 -4.074 7.858 2.798 1.00 0.00 H new ATOM 0 HA SER B 44 -4.443 9.103 5.274 1.00 0.00 H new ATOM 0 HB2 SER B 44 -2.255 8.547 4.292 1.00 0.00 H new ATOM 0 HB3 SER B 44 -2.491 9.751 3.041 1.00 0.00 H new ATOM 0 HG SER B 44 -1.238 10.563 4.815 1.00 0.00 H new ATOM 1665 N ALA B 45 -5.224 10.841 2.614 1.00 0.00 N ATOM 1666 CA ALA B 45 -5.904 12.017 2.101 1.00 0.00 C ATOM 1667 C ALA B 45 -7.353 12.047 2.580 1.00 0.00 C ATOM 1668 O ALA B 45 -7.858 13.085 3.006 1.00 0.00 O ATOM 1669 CB ALA B 45 -5.845 12.014 0.581 1.00 0.00 C ATOM 0 H ALA B 45 -4.996 10.150 1.899 1.00 0.00 H new ATOM 0 HA ALA B 45 -5.405 12.911 2.476 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.355 12.897 0.195 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -4.804 12.026 0.257 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.333 11.117 0.200 1.00 0.00 H new ATOM 1675 N ALA B 46 -8.013 10.891 2.507 1.00 0.00 N ATOM 1676 CA ALA B 46 -9.402 10.767 2.934 1.00 0.00 C ATOM 1677 C ALA B 46 -9.541 11.075 4.421 1.00 0.00 C ATOM 1678 O ALA B 46 -10.502 11.716 4.844 1.00 0.00 O ATOM 1679 CB ALA B 46 -9.925 9.369 2.631 1.00 0.00 C ATOM 0 H ALA B 46 -7.604 10.026 2.154 1.00 0.00 H new ATOM 0 HA ALA B 46 -9.997 11.492 2.379 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -10.963 9.291 2.955 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.864 9.182 1.559 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -9.323 8.632 3.162 1.00 0.00 H new