USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 613 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 72 ASN : amide:sc= 0.574 K(o=1.3,f=-1.5) USER MOD Set 1.2: A 73 ASN : amide:sc= 0.748 K(o=1.3,f=-0.085) USER MOD Set 2.1: A 59 GLN : amide:sc= 0.0631 X(o=0.12,f=0) USER MOD Set 2.2: A 61 SER OG : rot 180:sc= 0.0573 USER MOD Set 3.1: A 26 LYS NZ :NH3+ -148:sc= -0.302 (180deg=-2.64!) USER MOD Set 3.2: A 65 THR OG1 : rot 180:sc= 0.273 USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0821 (180deg=-0.0821) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.667 K(o=0.67,f=-2.1!) USER MOD Single : A 4 MET CE :methyl 175:sc=-0.000797 (180deg=-0.0482) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -14:sc= 0.137 USER MOD Single : A 12 SER OG : rot 72:sc= 0.781 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 179:sc= 0.771 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 168:sc= 0.314 (180deg=0.252) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 138:sc= 1.63 USER MOD Single : A 57 ASN : amide:sc= 0.57 K(o=0.57,f=0) USER MOD Single : A 58 GLN : amide:sc= 1.05 K(o=1.1,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00664 USER MOD Single : A 81 HIS : no HE2:sc= 0.415 K(o=0.42,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.860 17.373 -8.765 1.00 1.00 N ATOM 2 CA GLY A 1 20.348 16.132 -9.354 1.00 1.00 C ATOM 3 C GLY A 1 19.406 15.329 -8.446 1.00 1.00 C ATOM 4 O GLY A 1 18.968 14.238 -8.820 1.00 1.00 O ATOM 0 H1 GLY A 1 21.486 17.848 -9.446 1.00 1.00 H new ATOM 0 H2 GLY A 1 20.064 18.000 -8.530 1.00 1.00 H new ATOM 0 H3 GLY A 1 21.394 17.152 -7.900 1.00 1.00 H new ATOM 0 HA2 GLY A 1 19.821 16.375 -10.277 1.00 1.00 H new ATOM 0 HA3 GLY A 1 21.193 15.500 -9.627 1.00 1.00 H new ATOM 8 N SER A 2 19.091 15.847 -7.255 1.00 1.00 N ATOM 9 CA SER A 2 18.309 15.162 -6.213 1.00 1.00 C ATOM 10 C SER A 2 16.919 14.690 -6.656 1.00 1.00 C ATOM 11 O SER A 2 16.453 13.655 -6.184 1.00 1.00 O ATOM 12 CB SER A 2 18.186 16.055 -4.973 1.00 1.00 C ATOM 13 OG SER A 2 17.576 17.296 -5.300 1.00 1.00 O ATOM 0 H SER A 2 19.381 16.785 -6.977 1.00 1.00 H new ATOM 0 HA SER A 2 18.867 14.255 -5.983 1.00 1.00 H new ATOM 0 HB2 SER A 2 17.597 15.546 -4.210 1.00 1.00 H new ATOM 0 HB3 SER A 2 19.174 16.232 -4.548 1.00 1.00 H new ATOM 0 HG SER A 2 17.506 17.849 -4.494 1.00 1.00 H new ATOM 19 N HIS A 3 16.261 15.372 -7.599 1.00 1.00 N ATOM 20 CA HIS A 3 14.936 14.962 -8.085 1.00 1.00 C ATOM 21 C HIS A 3 14.943 13.587 -8.787 1.00 1.00 C ATOM 22 O HIS A 3 13.985 12.822 -8.656 1.00 1.00 O ATOM 23 CB HIS A 3 14.356 16.058 -8.987 1.00 1.00 C ATOM 24 CG HIS A 3 12.880 15.875 -9.242 1.00 1.00 C ATOM 25 ND1 HIS A 3 11.896 15.784 -8.282 1.00 1.00 N ATOM 26 CD2 HIS A 3 12.266 15.759 -10.460 1.00 1.00 C ATOM 27 CE1 HIS A 3 10.717 15.614 -8.902 1.00 1.00 C ATOM 28 NE2 HIS A 3 10.890 15.596 -10.237 1.00 1.00 N ATOM 0 H HIS A 3 16.625 16.215 -8.044 1.00 1.00 H new ATOM 0 HA HIS A 3 14.291 14.836 -7.215 1.00 1.00 H new ATOM 0 HB2 HIS A 3 14.524 17.031 -8.525 1.00 1.00 H new ATOM 0 HB3 HIS A 3 14.888 16.061 -9.938 1.00 1.00 H new ATOM 0 HD1 HIS A 3 12.039 15.837 -7.273 1.00 1.00 H new ATOM 0 HD2 HIS A 3 12.754 15.788 -11.423 1.00 1.00 H new ATOM 0 HE1 HIS A 3 9.766 15.507 -8.401 1.00 1.00 H new ATOM 36 N MET A 4 16.046 13.219 -9.450 1.00 1.00 N ATOM 37 CA MET A 4 16.243 11.882 -10.035 1.00 1.00 C ATOM 38 C MET A 4 16.533 10.793 -8.981 1.00 1.00 C ATOM 39 O MET A 4 16.489 9.601 -9.298 1.00 1.00 O ATOM 40 CB MET A 4 17.352 11.913 -11.101 1.00 1.00 C ATOM 41 CG MET A 4 16.968 12.743 -12.337 1.00 1.00 C ATOM 42 SD MET A 4 17.154 14.546 -12.202 1.00 1.00 S ATOM 43 CE MET A 4 18.950 14.683 -12.421 1.00 1.00 C ATOM 0 H MET A 4 16.837 13.846 -9.598 1.00 1.00 H new ATOM 0 HA MET A 4 15.299 11.611 -10.507 1.00 1.00 H new ATOM 0 HB2 MET A 4 18.261 12.324 -10.661 1.00 1.00 H new ATOM 0 HB3 MET A 4 17.581 10.893 -11.411 1.00 1.00 H new ATOM 0 HG2 MET A 4 17.572 12.401 -13.177 1.00 1.00 H new ATOM 0 HG3 MET A 4 15.928 12.526 -12.583 1.00 1.00 H new ATOM 0 HE1 MET A 4 19.233 15.735 -12.455 1.00 1.00 H new ATOM 0 HE2 MET A 4 19.456 14.198 -11.586 1.00 1.00 H new ATOM 0 HE3 MET A 4 19.241 14.198 -13.353 1.00 1.00 H new ATOM 53 N LEU A 5 16.803 11.181 -7.728 1.00 1.00 N ATOM 54 CA LEU A 5 16.905 10.281 -6.570 1.00 1.00 C ATOM 55 C LEU A 5 15.563 10.179 -5.820 1.00 1.00 C ATOM 56 O LEU A 5 15.252 9.142 -5.233 1.00 1.00 O ATOM 57 CB LEU A 5 18.036 10.751 -5.633 1.00 1.00 C ATOM 58 CG LEU A 5 19.410 10.911 -6.316 1.00 1.00 C ATOM 59 CD1 LEU A 5 20.424 11.494 -5.331 1.00 1.00 C ATOM 60 CD2 LEU A 5 19.961 9.583 -6.843 1.00 1.00 C ATOM 0 H LEU A 5 16.961 12.159 -7.484 1.00 1.00 H new ATOM 0 HA LEU A 5 17.148 9.281 -6.930 1.00 1.00 H new ATOM 0 HB2 LEU A 5 17.751 11.706 -5.191 1.00 1.00 H new ATOM 0 HB3 LEU A 5 18.132 10.037 -4.815 1.00 1.00 H new ATOM 0 HG LEU A 5 19.259 11.582 -7.161 1.00 1.00 H new ATOM 0 HD11 LEU A 5 21.390 11.602 -5.825 1.00 1.00 H new ATOM 0 HD12 LEU A 5 20.080 12.470 -4.989 1.00 1.00 H new ATOM 0 HD13 LEU A 5 20.526 10.826 -4.476 1.00 1.00 H new ATOM 0 HD21 LEU A 5 20.929 9.752 -7.314 1.00 1.00 H new ATOM 0 HD22 LEU A 5 20.077 8.883 -6.015 1.00 1.00 H new ATOM 0 HD23 LEU A 5 19.269 9.167 -7.575 1.00 1.00 H new ATOM 72 N GLU A 6 14.726 11.222 -5.868 1.00 1.00 N ATOM 73 CA GLU A 6 13.341 11.161 -5.381 1.00 1.00 C ATOM 74 C GLU A 6 12.473 10.246 -6.255 1.00 1.00 C ATOM 75 O GLU A 6 11.713 9.433 -5.726 1.00 1.00 O ATOM 76 CB GLU A 6 12.698 12.559 -5.340 1.00 1.00 C ATOM 77 CG GLU A 6 13.351 13.520 -4.338 1.00 1.00 C ATOM 78 CD GLU A 6 12.638 14.881 -4.328 1.00 1.00 C ATOM 79 OE1 GLU A 6 12.521 15.499 -5.416 1.00 1.00 O ATOM 80 OE2 GLU A 6 12.204 15.312 -3.232 1.00 1.00 O ATOM 0 H GLU A 6 14.989 12.132 -6.245 1.00 1.00 H new ATOM 0 HA GLU A 6 13.388 10.753 -4.371 1.00 1.00 H new ATOM 0 HB2 GLU A 6 12.749 13.000 -6.336 1.00 1.00 H new ATOM 0 HB3 GLU A 6 11.642 12.454 -5.091 1.00 1.00 H new ATOM 0 HG2 GLU A 6 13.322 13.084 -3.340 1.00 1.00 H new ATOM 0 HG3 GLU A 6 14.401 13.659 -4.594 1.00 1.00 H new ATOM 87 N SER A 7 12.594 10.328 -7.585 1.00 1.00 N ATOM 88 CA SER A 7 11.826 9.475 -8.501 1.00 1.00 C ATOM 89 C SER A 7 12.177 7.988 -8.361 1.00 1.00 C ATOM 90 O SER A 7 11.276 7.149 -8.384 1.00 1.00 O ATOM 91 CB SER A 7 11.990 9.937 -9.953 1.00 1.00 C ATOM 92 OG SER A 7 13.340 9.848 -10.380 1.00 1.00 O ATOM 0 H SER A 7 13.221 10.981 -8.054 1.00 1.00 H new ATOM 0 HA SER A 7 10.779 9.581 -8.218 1.00 1.00 H new ATOM 0 HB2 SER A 7 11.361 9.328 -10.602 1.00 1.00 H new ATOM 0 HB3 SER A 7 11.644 10.966 -10.049 1.00 1.00 H new ATOM 0 HG SER A 7 13.409 10.148 -11.310 1.00 1.00 H new ATOM 98 N SER A 8 13.454 7.641 -8.157 1.00 1.00 N ATOM 99 CA SER A 8 13.876 6.263 -7.861 1.00 1.00 C ATOM 100 C SER A 8 13.396 5.768 -6.490 1.00 1.00 C ATOM 101 O SER A 8 13.006 4.604 -6.368 1.00 1.00 O ATOM 102 CB SER A 8 15.389 6.078 -8.025 1.00 1.00 C ATOM 103 OG SER A 8 16.122 6.838 -7.084 1.00 1.00 O ATOM 0 H SER A 8 14.226 8.307 -8.192 1.00 1.00 H new ATOM 0 HA SER A 8 13.384 5.636 -8.605 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.639 5.023 -7.912 1.00 1.00 H new ATOM 0 HB3 SER A 8 15.682 6.369 -9.033 1.00 1.00 H new ATOM 0 HG SER A 8 15.531 7.499 -6.666 1.00 1.00 H new ATOM 109 N ALA A 9 13.361 6.628 -5.463 1.00 1.00 N ATOM 110 CA ALA A 9 12.787 6.291 -4.159 1.00 1.00 C ATOM 111 C ALA A 9 11.267 6.034 -4.234 1.00 1.00 C ATOM 112 O ALA A 9 10.776 5.054 -3.673 1.00 1.00 O ATOM 113 CB ALA A 9 13.122 7.408 -3.162 1.00 1.00 C ATOM 0 H ALA A 9 13.731 7.577 -5.516 1.00 1.00 H new ATOM 0 HA ALA A 9 13.229 5.355 -3.817 1.00 1.00 H new ATOM 0 HB1 ALA A 9 12.698 7.165 -2.188 1.00 1.00 H new ATOM 0 HB2 ALA A 9 14.204 7.504 -3.073 1.00 1.00 H new ATOM 0 HB3 ALA A 9 12.702 8.350 -3.516 1.00 1.00 H new ATOM 119 N GLU A 10 10.516 6.865 -4.965 1.00 1.00 N ATOM 120 CA GLU A 10 9.079 6.658 -5.202 1.00 1.00 C ATOM 121 C GLU A 10 8.794 5.417 -6.065 1.00 1.00 C ATOM 122 O GLU A 10 7.849 4.679 -5.788 1.00 1.00 O ATOM 123 CB GLU A 10 8.459 7.909 -5.850 1.00 1.00 C ATOM 124 CG GLU A 10 8.369 9.116 -4.902 1.00 1.00 C ATOM 125 CD GLU A 10 7.349 8.891 -3.777 1.00 1.00 C ATOM 126 OE1 GLU A 10 6.148 9.174 -4.005 1.00 1.00 O ATOM 127 OE2 GLU A 10 7.764 8.430 -2.686 1.00 1.00 O ATOM 0 H GLU A 10 10.887 7.704 -5.411 1.00 1.00 H new ATOM 0 HA GLU A 10 8.618 6.484 -4.229 1.00 1.00 H new ATOM 0 HB2 GLU A 10 9.051 8.187 -6.722 1.00 1.00 H new ATOM 0 HB3 GLU A 10 7.459 7.664 -6.208 1.00 1.00 H new ATOM 0 HG2 GLU A 10 9.350 9.310 -4.468 1.00 1.00 H new ATOM 0 HG3 GLU A 10 8.091 10.003 -5.471 1.00 1.00 H new ATOM 134 N GLU A 11 9.629 5.129 -7.065 1.00 1.00 N ATOM 135 CA GLU A 11 9.572 3.883 -7.839 1.00 1.00 C ATOM 136 C GLU A 11 9.861 2.647 -6.967 1.00 1.00 C ATOM 137 O GLU A 11 9.159 1.639 -7.068 1.00 1.00 O ATOM 138 CB GLU A 11 10.549 3.997 -9.022 1.00 1.00 C ATOM 139 CG GLU A 11 10.608 2.738 -9.890 1.00 1.00 C ATOM 140 CD GLU A 11 11.480 2.968 -11.130 1.00 1.00 C ATOM 141 OE1 GLU A 11 12.727 2.885 -11.000 1.00 1.00 O ATOM 142 OE2 GLU A 11 10.907 3.247 -12.212 1.00 1.00 O ATOM 0 H GLU A 11 10.372 5.760 -7.365 1.00 1.00 H new ATOM 0 HA GLU A 11 8.561 3.742 -8.220 1.00 1.00 H new ATOM 0 HB2 GLU A 11 10.257 4.844 -9.643 1.00 1.00 H new ATOM 0 HB3 GLU A 11 11.547 4.212 -8.639 1.00 1.00 H new ATOM 0 HG2 GLU A 11 11.009 1.908 -9.308 1.00 1.00 H new ATOM 0 HG3 GLU A 11 9.601 2.455 -10.196 1.00 1.00 H new ATOM 149 N SER A 12 10.830 2.737 -6.050 1.00 1.00 N ATOM 150 CA SER A 12 11.106 1.677 -5.071 1.00 1.00 C ATOM 151 C SER A 12 9.924 1.459 -4.119 1.00 1.00 C ATOM 152 O SER A 12 9.590 0.318 -3.802 1.00 1.00 O ATOM 153 CB SER A 12 12.369 1.984 -4.255 1.00 1.00 C ATOM 154 OG SER A 12 13.508 2.077 -5.097 1.00 1.00 O ATOM 0 H SER A 12 11.446 3.546 -5.964 1.00 1.00 H new ATOM 0 HA SER A 12 11.265 0.762 -5.642 1.00 1.00 H new ATOM 0 HB2 SER A 12 12.237 2.919 -3.711 1.00 1.00 H new ATOM 0 HB3 SER A 12 12.525 1.202 -3.511 1.00 1.00 H new ATOM 0 HG SER A 12 13.462 2.905 -5.619 1.00 1.00 H new ATOM 160 N LEU A 13 9.235 2.529 -3.706 1.00 1.00 N ATOM 161 CA LEU A 13 8.019 2.443 -2.890 1.00 1.00 C ATOM 162 C LEU A 13 6.858 1.808 -3.676 1.00 1.00 C ATOM 163 O LEU A 13 6.142 0.967 -3.133 1.00 1.00 O ATOM 164 CB LEU A 13 7.698 3.851 -2.343 1.00 1.00 C ATOM 165 CG LEU A 13 6.588 3.992 -1.278 1.00 1.00 C ATOM 166 CD1 LEU A 13 5.170 3.960 -1.853 1.00 1.00 C ATOM 167 CD2 LEU A 13 6.696 2.955 -0.158 1.00 1.00 C ATOM 0 H LEU A 13 9.508 3.486 -3.930 1.00 1.00 H new ATOM 0 HA LEU A 13 8.178 1.778 -2.041 1.00 1.00 H new ATOM 0 HB2 LEU A 13 8.616 4.260 -1.921 1.00 1.00 H new ATOM 0 HB3 LEU A 13 7.427 4.482 -3.190 1.00 1.00 H new ATOM 0 HG LEU A 13 6.760 4.984 -0.860 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.447 4.064 -1.044 1.00 1.00 H new ATOM 0 HD12 LEU A 13 5.045 4.781 -2.559 1.00 1.00 H new ATOM 0 HD13 LEU A 13 5.007 3.012 -2.366 1.00 1.00 H new ATOM 0 HD21 LEU A 13 5.888 3.107 0.558 1.00 1.00 H new ATOM 0 HD22 LEU A 13 6.622 1.953 -0.581 1.00 1.00 H new ATOM 0 HD23 LEU A 13 7.655 3.065 0.348 1.00 1.00 H new ATOM 179 N ALA A 14 6.712 2.114 -4.969 1.00 1.00 N ATOM 180 CA ALA A 14 5.753 1.435 -5.842 1.00 1.00 C ATOM 181 C ALA A 14 6.041 -0.077 -5.965 1.00 1.00 C ATOM 182 O ALA A 14 5.106 -0.878 -5.939 1.00 1.00 O ATOM 183 CB ALA A 14 5.726 2.132 -7.207 1.00 1.00 C ATOM 0 H ALA A 14 7.255 2.839 -5.438 1.00 1.00 H new ATOM 0 HA ALA A 14 4.763 1.508 -5.393 1.00 1.00 H new ATOM 0 HB1 ALA A 14 5.012 1.628 -7.859 1.00 1.00 H new ATOM 0 HB2 ALA A 14 5.428 3.173 -7.078 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.719 2.092 -7.656 1.00 1.00 H new ATOM 189 N TYR A 15 7.313 -0.493 -6.019 1.00 1.00 N ATOM 190 CA TYR A 15 7.692 -1.915 -5.968 1.00 1.00 C ATOM 191 C TYR A 15 7.402 -2.564 -4.600 1.00 1.00 C ATOM 192 O TYR A 15 6.924 -3.700 -4.552 1.00 1.00 O ATOM 193 CB TYR A 15 9.173 -2.099 -6.342 1.00 1.00 C ATOM 194 CG TYR A 15 9.608 -1.632 -7.726 1.00 1.00 C ATOM 195 CD1 TYR A 15 8.718 -1.634 -8.823 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.947 -1.235 -7.923 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.155 -1.219 -10.095 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.390 -0.828 -9.196 1.00 1.00 C ATOM 199 CZ TYR A 15 10.494 -0.813 -10.286 1.00 1.00 C ATOM 200 OH TYR A 15 10.927 -0.410 -11.513 1.00 1.00 O ATOM 0 H TYR A 15 8.107 0.142 -6.099 1.00 1.00 H new ATOM 0 HA TYR A 15 7.069 -2.427 -6.702 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.776 -1.571 -5.603 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.414 -3.158 -6.252 1.00 1.00 H new ATOM 0 HD1 TYR A 15 7.696 -1.956 -8.685 1.00 1.00 H new ATOM 0 HD2 TYR A 15 11.637 -1.243 -7.092 1.00 1.00 H new ATOM 0 HE1 TYR A 15 8.465 -1.211 -10.926 1.00 1.00 H new ATOM 0 HE2 TYR A 15 12.417 -0.527 -9.338 1.00 1.00 H new ATOM 0 HH TYR A 15 11.875 -0.165 -11.461 1.00 1.00 H new ATOM 210 N ARG A 16 7.625 -1.850 -3.485 1.00 1.00 N ATOM 211 CA ARG A 16 7.238 -2.300 -2.129 1.00 1.00 C ATOM 212 C ARG A 16 5.726 -2.475 -1.987 1.00 1.00 C ATOM 213 O ARG A 16 5.279 -3.442 -1.376 1.00 1.00 O ATOM 214 CB ARG A 16 7.754 -1.319 -1.060 1.00 1.00 C ATOM 215 CG ARG A 16 9.281 -1.356 -0.889 1.00 1.00 C ATOM 216 CD ARG A 16 9.797 -0.210 -0.007 1.00 1.00 C ATOM 217 NE ARG A 16 9.237 -0.256 1.357 1.00 1.00 N ATOM 218 CZ ARG A 16 9.324 0.700 2.268 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.959 1.824 2.055 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.766 0.545 3.438 1.00 1.00 N ATOM 0 H ARG A 16 8.081 -0.938 -3.494 1.00 1.00 H new ATOM 0 HA ARG A 16 7.701 -3.275 -1.977 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.450 -0.307 -1.328 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.282 -1.552 -0.105 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.572 -2.310 -0.449 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.755 -1.299 -1.869 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.885 -0.258 0.048 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.543 0.744 -0.469 1.00 1.00 H new ATOM 0 HE ARG A 16 8.736 -1.104 1.623 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.413 1.991 1.157 1.00 1.00 H new ATOM 0 HH12 ARG A 16 10.000 2.533 2.787 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.261 -0.315 3.652 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.835 1.284 4.138 1.00 1.00 H new ATOM 234 N GLU A 17 4.933 -1.581 -2.575 1.00 1.00 N ATOM 235 CA GLU A 17 3.476 -1.725 -2.660 1.00 1.00 C ATOM 236 C GLU A 17 3.066 -2.897 -3.560 1.00 1.00 C ATOM 237 O GLU A 17 2.198 -3.671 -3.177 1.00 1.00 O ATOM 238 CB GLU A 17 2.853 -0.397 -3.126 1.00 1.00 C ATOM 239 CG GLU A 17 1.344 -0.332 -2.856 1.00 1.00 C ATOM 240 CD GLU A 17 0.751 0.982 -3.374 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.759 1.969 -2.603 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.285 1.008 -4.539 1.00 1.00 O ATOM 0 H GLU A 17 5.284 -0.728 -3.010 1.00 1.00 H new ATOM 0 HA GLU A 17 3.092 -1.960 -1.667 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.346 0.431 -2.617 1.00 1.00 H new ATOM 0 HB3 GLU A 17 3.034 -0.269 -4.193 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.848 -1.174 -3.338 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.158 -0.422 -1.786 1.00 1.00 H new ATOM 249 N ASP A 18 3.716 -3.103 -4.708 1.00 1.00 N ATOM 250 CA ASP A 18 3.436 -4.242 -5.591 1.00 1.00 C ATOM 251 C ASP A 18 3.748 -5.608 -4.948 1.00 1.00 C ATOM 252 O ASP A 18 3.098 -6.598 -5.278 1.00 1.00 O ATOM 253 CB ASP A 18 4.188 -4.068 -6.915 1.00 1.00 C ATOM 254 CG ASP A 18 3.711 -5.084 -7.956 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.506 -5.034 -8.298 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.546 -5.897 -8.418 1.00 1.00 O ATOM 0 H ASP A 18 4.451 -2.486 -5.053 1.00 1.00 H new ATOM 0 HA ASP A 18 2.362 -4.246 -5.779 1.00 1.00 H new ATOM 0 HB2 ASP A 18 4.037 -3.057 -7.293 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.258 -4.189 -6.748 1.00 1.00 H new ATOM 261 N ASP A 19 4.676 -5.682 -3.986 1.00 1.00 N ATOM 262 CA ASP A 19 4.887 -6.888 -3.169 1.00 1.00 C ATOM 263 C ASP A 19 3.637 -7.286 -2.356 1.00 1.00 C ATOM 264 O ASP A 19 3.398 -8.475 -2.122 1.00 1.00 O ATOM 265 CB ASP A 19 6.104 -6.704 -2.252 1.00 1.00 C ATOM 266 CG ASP A 19 6.454 -7.999 -1.511 1.00 1.00 C ATOM 267 OD1 ASP A 19 7.067 -8.890 -2.148 1.00 1.00 O ATOM 268 OD2 ASP A 19 6.114 -8.100 -0.308 1.00 1.00 O ATOM 0 H ASP A 19 5.301 -4.911 -3.751 1.00 1.00 H new ATOM 0 HA ASP A 19 5.081 -7.711 -3.857 1.00 1.00 H new ATOM 0 HB2 ASP A 19 6.960 -6.380 -2.844 1.00 1.00 H new ATOM 0 HB3 ASP A 19 5.899 -5.915 -1.529 1.00 1.00 H new ATOM 273 N LEU A 20 2.809 -6.312 -1.954 1.00 1.00 N ATOM 274 CA LEU A 20 1.546 -6.551 -1.242 1.00 1.00 C ATOM 275 C LEU A 20 0.506 -7.302 -2.103 1.00 1.00 C ATOM 276 O LEU A 20 -0.444 -7.865 -1.557 1.00 1.00 O ATOM 277 CB LEU A 20 0.963 -5.228 -0.702 1.00 1.00 C ATOM 278 CG LEU A 20 1.949 -4.309 0.045 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.242 -3.026 0.484 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.591 -4.976 1.262 1.00 1.00 C ATOM 0 H LEU A 20 3.000 -5.323 -2.116 1.00 1.00 H new ATOM 0 HA LEU A 20 1.779 -7.201 -0.399 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.542 -4.671 -1.539 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.138 -5.465 -0.030 1.00 1.00 H new ATOM 0 HG LEU A 20 2.751 -4.082 -0.658 1.00 1.00 H new ATOM 0 HD11 LEU A 20 1.948 -2.384 1.011 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.860 -2.503 -0.393 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.414 -3.276 1.147 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.274 -4.276 1.743 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.814 -5.268 1.969 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.143 -5.860 0.943 1.00 1.00 H new ATOM 292 N ARG A 21 0.700 -7.384 -3.431 1.00 1.00 N ATOM 293 CA ARG A 21 -0.111 -8.212 -4.355 1.00 1.00 C ATOM 294 C ARG A 21 -0.017 -9.727 -4.072 1.00 1.00 C ATOM 295 O ARG A 21 -0.787 -10.513 -4.618 1.00 1.00 O ATOM 296 CB ARG A 21 0.273 -7.895 -5.816 1.00 1.00 C ATOM 297 CG ARG A 21 -0.883 -8.137 -6.801 1.00 1.00 C ATOM 298 CD ARG A 21 -0.420 -8.165 -8.263 1.00 1.00 C ATOM 299 NE ARG A 21 0.046 -6.846 -8.731 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.234 -6.275 -9.892 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.985 -6.835 -10.802 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.242 -5.093 -10.160 1.00 1.00 N ATOM 0 H ARG A 21 1.440 -6.867 -3.907 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.155 -7.947 -4.185 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.592 -6.855 -5.886 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.125 -8.510 -6.105 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.368 -9.083 -6.560 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.631 -7.354 -6.676 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.385 -8.891 -8.372 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.242 -8.502 -8.895 1.00 1.00 H new ATOM 0 HE ARG A 21 0.645 -6.320 -8.095 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.388 -7.757 -10.634 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.169 -6.350 -11.680 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.827 -4.612 -9.477 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.030 -4.648 -11.053 1.00 1.00 H new ATOM 316 N GLY A 22 0.906 -10.152 -3.204 1.00 1.00 N ATOM 317 CA GLY A 22 1.023 -11.530 -2.710 1.00 1.00 C ATOM 318 C GLY A 22 0.441 -11.741 -1.305 1.00 1.00 C ATOM 319 O GLY A 22 0.800 -12.724 -0.651 1.00 1.00 O ATOM 0 H GLY A 22 1.614 -9.530 -2.813 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.517 -12.199 -3.406 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.075 -11.814 -2.703 1.00 1.00 H new ATOM 323 N ARG A 23 -0.413 -10.827 -0.813 1.00 1.00 N ATOM 324 CA ARG A 23 -0.884 -10.781 0.586 1.00 1.00 C ATOM 325 C ARG A 23 -2.395 -10.574 0.722 1.00 1.00 C ATOM 326 O ARG A 23 -3.063 -10.049 -0.174 1.00 1.00 O ATOM 327 CB ARG A 23 -0.158 -9.661 1.346 1.00 1.00 C ATOM 328 CG ARG A 23 1.371 -9.732 1.247 1.00 1.00 C ATOM 329 CD ARG A 23 1.950 -8.738 2.247 1.00 1.00 C ATOM 330 NE ARG A 23 3.393 -8.526 2.039 1.00 1.00 N ATOM 331 CZ ARG A 23 4.223 -7.931 2.880 1.00 1.00 C ATOM 332 NH1 ARG A 23 3.855 -7.517 4.065 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.464 -7.730 2.539 1.00 1.00 N ATOM 0 H ARG A 23 -0.805 -10.082 -1.389 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.655 -11.758 1.012 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.493 -8.698 0.961 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.447 -9.702 2.396 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.721 -10.741 1.465 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.700 -9.492 0.236 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.427 -7.786 2.157 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.779 -9.101 3.260 1.00 1.00 H new ATOM 0 HE ARG A 23 3.789 -8.870 1.164 1.00 1.00 H new ATOM 0 HH11 ARG A 23 2.892 -7.648 4.375 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.531 -7.063 4.679 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.796 -8.031 1.623 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.103 -7.271 3.188 1.00 1.00 H new ATOM 347 N LEU A 24 -2.912 -10.951 1.890 1.00 1.00 N ATOM 348 CA LEU A 24 -4.289 -10.678 2.313 1.00 1.00 C ATOM 349 C LEU A 24 -4.373 -9.304 3.007 1.00 1.00 C ATOM 350 O LEU A 24 -3.404 -8.806 3.585 1.00 1.00 O ATOM 351 CB LEU A 24 -4.788 -11.770 3.291 1.00 1.00 C ATOM 352 CG LEU A 24 -5.197 -13.152 2.741 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.260 -13.072 1.650 1.00 1.00 C ATOM 354 CD2 LEU A 24 -4.018 -13.961 2.204 1.00 1.00 C ATOM 0 H LEU A 24 -2.374 -11.467 2.587 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.919 -10.678 1.424 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.002 -11.932 4.029 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.647 -11.363 3.824 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.613 -13.664 3.609 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -6.504 -14.077 1.305 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.156 -12.598 2.050 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.880 -12.484 0.814 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.375 -14.922 1.833 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.540 -13.413 1.392 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.296 -14.127 3.004 1.00 1.00 H new ATOM 366 N GLY A 25 -5.576 -8.740 3.015 1.00 1.00 N ATOM 367 CA GLY A 25 -5.943 -7.495 3.682 1.00 1.00 C ATOM 368 C GLY A 25 -7.344 -7.517 4.305 1.00 1.00 C ATOM 369 O GLY A 25 -8.019 -8.548 4.340 1.00 1.00 O ATOM 0 H GLY A 25 -6.366 -9.163 2.529 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.212 -7.282 4.462 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.888 -6.678 2.962 1.00 1.00 H new ATOM 373 N LYS A 26 -7.772 -6.351 4.795 1.00 1.00 N ATOM 374 CA LYS A 26 -8.959 -6.106 5.619 1.00 1.00 C ATOM 375 C LYS A 26 -9.591 -4.774 5.224 1.00 1.00 C ATOM 376 O LYS A 26 -8.950 -3.731 5.342 1.00 1.00 O ATOM 377 CB LYS A 26 -8.487 -6.094 7.083 1.00 1.00 C ATOM 378 CG LYS A 26 -9.560 -5.783 8.140 1.00 1.00 C ATOM 379 CD LYS A 26 -10.810 -6.678 8.147 1.00 1.00 C ATOM 380 CE LYS A 26 -10.563 -8.154 8.504 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.929 -8.907 7.404 1.00 1.00 N ATOM 0 H LYS A 26 -7.259 -5.488 4.612 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.718 -6.876 5.478 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.053 -7.068 7.311 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.688 -5.359 7.179 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.094 -5.843 9.124 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.883 -4.751 8.002 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.527 -6.265 8.856 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.274 -6.633 7.162 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -9.929 -8.208 9.389 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -11.512 -8.625 8.762 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -10.254 -9.895 7.427 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -10.191 -8.478 6.494 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -8.895 -8.880 7.515 1.00 1.00 H new ATOM 395 N VAL A 27 -10.815 -4.817 4.705 1.00 1.00 N ATOM 396 CA VAL A 27 -11.559 -3.622 4.251 1.00 1.00 C ATOM 397 C VAL A 27 -12.086 -2.806 5.440 1.00 1.00 C ATOM 398 O VAL A 27 -12.711 -3.350 6.352 1.00 1.00 O ATOM 399 CB VAL A 27 -12.684 -4.011 3.264 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.560 -2.826 2.845 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.032 -4.574 1.999 1.00 1.00 C ATOM 0 H VAL A 27 -11.333 -5.687 4.582 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.866 -2.978 3.710 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.323 -4.733 3.772 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.329 -3.169 2.152 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.033 -2.393 3.727 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.943 -2.072 2.357 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.806 -4.856 1.286 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.387 -3.816 1.554 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.438 -5.451 2.255 1.00 1.00 H new ATOM 411 N ILE A 28 -11.850 -1.490 5.399 1.00 1.00 N ATOM 412 CA ILE A 28 -12.131 -0.511 6.477 1.00 1.00 C ATOM 413 C ILE A 28 -13.063 0.634 6.038 1.00 1.00 C ATOM 414 O ILE A 28 -13.595 1.364 6.875 1.00 1.00 O ATOM 415 CB ILE A 28 -10.816 0.050 7.065 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.084 0.954 6.035 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.983 -1.103 7.653 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.557 0.882 6.007 1.00 1.00 C ATOM 0 H ILE A 28 -11.438 -1.048 4.577 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.665 -1.059 7.253 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.020 0.720 7.900 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.453 0.702 5.041 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.371 1.988 6.228 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.056 -0.707 8.068 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.551 -1.597 8.441 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.751 -1.822 6.867 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.175 1.561 5.245 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.161 1.170 6.981 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.245 -0.136 5.775 1.00 1.00 H new ATOM 430 N THR A 29 -13.300 0.757 4.731 1.00 1.00 N ATOM 431 CA THR A 29 -14.316 1.620 4.105 1.00 1.00 C ATOM 432 C THR A 29 -14.857 0.822 2.923 1.00 1.00 C ATOM 433 O THR A 29 -14.068 0.330 2.118 1.00 1.00 O ATOM 434 CB THR A 29 -13.736 2.964 3.626 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.113 3.661 4.684 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.797 3.888 3.027 1.00 1.00 C ATOM 0 H THR A 29 -12.763 0.232 4.041 1.00 1.00 H new ATOM 0 HA THR A 29 -15.092 1.878 4.826 1.00 1.00 H new ATOM 0 HB THR A 29 -13.011 2.704 2.855 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.753 4.509 4.350 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.330 4.819 2.707 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.261 3.401 2.169 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.558 4.103 3.777 1.00 1.00 H new ATOM 444 N ALA A 30 -16.177 0.638 2.848 1.00 1.00 N ATOM 445 CA ALA A 30 -16.826 -0.279 1.910 1.00 1.00 C ATOM 446 C ALA A 30 -16.454 -0.024 0.437 1.00 1.00 C ATOM 447 O ALA A 30 -16.372 1.120 -0.015 1.00 1.00 O ATOM 448 CB ALA A 30 -18.341 -0.201 2.122 1.00 1.00 C ATOM 0 H ALA A 30 -16.837 1.132 3.449 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.463 -1.285 2.121 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.841 -0.879 1.430 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.580 -0.487 3.146 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.682 0.818 1.941 1.00 1.00 H new ATOM 454 N VAL A 31 -16.286 -1.113 -0.313 1.00 1.00 N ATOM 455 CA VAL A 31 -15.833 -1.137 -1.711 1.00 1.00 C ATOM 456 C VAL A 31 -16.932 -1.793 -2.562 1.00 1.00 C ATOM 457 O VAL A 31 -17.005 -3.023 -2.615 1.00 1.00 O ATOM 458 CB VAL A 31 -14.497 -1.899 -1.850 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.973 -1.802 -3.280 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.385 -1.392 -0.925 1.00 1.00 C ATOM 0 H VAL A 31 -16.470 -2.048 0.051 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.655 -0.119 -2.057 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.733 -2.925 -1.568 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.031 -2.344 -3.360 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.701 -2.237 -3.965 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.812 -0.755 -3.538 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.482 -1.980 -1.086 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.179 -0.344 -1.144 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.702 -1.490 0.113 1.00 1.00 H new ATOM 470 N PRO A 32 -17.856 -1.025 -3.166 1.00 1.00 N ATOM 471 CA PRO A 32 -18.950 -1.593 -3.948 1.00 1.00 C ATOM 472 C PRO A 32 -18.491 -2.096 -5.327 1.00 1.00 C ATOM 473 O PRO A 32 -17.346 -1.905 -5.741 1.00 1.00 O ATOM 474 CB PRO A 32 -19.999 -0.480 -4.030 1.00 1.00 C ATOM 475 CG PRO A 32 -19.140 0.771 -4.040 1.00 1.00 C ATOM 476 CD PRO A 32 -17.977 0.424 -3.109 1.00 1.00 C ATOM 0 HA PRO A 32 -19.361 -2.487 -3.478 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.610 -0.562 -4.929 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.680 -0.499 -3.179 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.791 1.008 -5.045 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.694 1.639 -3.682 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -17.056 0.908 -3.433 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.174 0.762 -2.092 1.00 1.00 H new ATOM 484 N VAL A 33 -19.422 -2.732 -6.047 1.00 1.00 N ATOM 485 CA VAL A 33 -19.185 -3.486 -7.295 1.00 1.00 C ATOM 486 C VAL A 33 -18.473 -2.714 -8.415 1.00 1.00 C ATOM 487 O VAL A 33 -17.801 -3.321 -9.246 1.00 1.00 O ATOM 488 CB VAL A 33 -20.503 -4.083 -7.838 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.258 -4.894 -6.777 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.480 -3.025 -8.373 1.00 1.00 C ATOM 0 H VAL A 33 -20.403 -2.739 -5.769 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.494 -4.275 -6.998 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.179 -4.726 -8.656 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.176 -5.292 -7.209 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.631 -5.718 -6.435 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.503 -4.250 -5.933 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.383 -3.515 -8.738 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.741 -2.333 -7.572 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.010 -2.476 -9.189 1.00 1.00 H new ATOM 500 N ASP A 34 -18.601 -1.386 -8.436 1.00 1.00 N ATOM 501 CA ASP A 34 -18.016 -0.484 -9.437 1.00 1.00 C ATOM 502 C ASP A 34 -17.550 0.842 -8.792 1.00 1.00 C ATOM 503 O ASP A 34 -17.617 1.910 -9.405 1.00 1.00 O ATOM 504 CB ASP A 34 -19.043 -0.287 -10.571 1.00 1.00 C ATOM 505 CG ASP A 34 -18.475 0.455 -11.790 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.349 0.107 -12.225 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.181 1.349 -12.315 1.00 1.00 O ATOM 0 H ASP A 34 -19.137 -0.886 -7.727 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.115 -0.922 -9.866 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.413 -1.262 -10.889 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.898 0.268 -10.184 1.00 1.00 H new ATOM 512 N GLY A 35 -17.119 0.781 -7.525 1.00 1.00 N ATOM 513 CA GLY A 35 -16.750 1.948 -6.709 1.00 1.00 C ATOM 514 C GLY A 35 -15.479 1.758 -5.876 1.00 1.00 C ATOM 515 O GLY A 35 -14.719 0.807 -6.075 1.00 1.00 O ATOM 0 H GLY A 35 -17.014 -0.102 -7.026 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.615 2.808 -7.365 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.577 2.185 -6.040 1.00 1.00 H new ATOM 519 N PHE A 36 -15.258 2.677 -4.930 1.00 1.00 N ATOM 520 CA PHE A 36 -14.014 2.813 -4.165 1.00 1.00 C ATOM 521 C PHE A 36 -14.276 2.855 -2.651 1.00 1.00 C ATOM 522 O PHE A 36 -15.264 3.430 -2.187 1.00 1.00 O ATOM 523 CB PHE A 36 -13.248 4.092 -4.559 1.00 1.00 C ATOM 524 CG PHE A 36 -12.973 4.319 -6.038 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.997 4.776 -6.891 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.676 4.132 -6.554 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.738 5.000 -8.255 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.413 4.363 -7.916 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.446 4.790 -8.770 1.00 1.00 C ATOM 0 H PHE A 36 -15.961 3.368 -4.668 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.414 1.935 -4.404 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.809 4.949 -4.186 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.292 4.086 -4.036 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.986 4.955 -6.495 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.879 3.809 -5.900 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.531 5.333 -8.907 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.417 4.212 -8.307 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.248 4.956 -9.819 1.00 1.00 H new ATOM 539 N GLY A 37 -13.344 2.283 -1.893 1.00 1.00 N ATOM 540 CA GLY A 37 -13.267 2.315 -0.432 1.00 1.00 C ATOM 541 C GLY A 37 -11.809 2.206 0.022 1.00 1.00 C ATOM 542 O GLY A 37 -10.915 2.736 -0.641 1.00 1.00 O ATOM 0 H GLY A 37 -12.576 1.753 -2.305 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.704 3.241 -0.058 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.849 1.495 -0.012 1.00 1.00 H new ATOM 546 N GLU A 38 -11.546 1.530 1.141 1.00 1.00 N ATOM 547 CA GLU A 38 -10.209 1.436 1.749 1.00 1.00 C ATOM 548 C GLU A 38 -9.935 0.065 2.380 1.00 1.00 C ATOM 549 O GLU A 38 -10.846 -0.633 2.827 1.00 1.00 O ATOM 550 CB GLU A 38 -10.023 2.514 2.832 1.00 1.00 C ATOM 551 CG GLU A 38 -9.823 3.931 2.287 1.00 1.00 C ATOM 552 CD GLU A 38 -9.631 4.951 3.419 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.652 4.801 4.190 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.444 5.904 3.502 1.00 1.00 O ATOM 0 H GLU A 38 -12.263 1.024 1.661 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.501 1.587 0.934 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.895 2.509 3.486 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.163 2.249 3.447 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -8.954 3.949 1.629 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.685 4.214 1.684 1.00 1.00 H new ATOM 561 N VAL A 39 -8.650 -0.284 2.469 1.00 1.00 N ATOM 562 CA VAL A 39 -8.123 -1.573 2.938 1.00 1.00 C ATOM 563 C VAL A 39 -6.798 -1.396 3.700 1.00 1.00 C ATOM 564 O VAL A 39 -6.075 -0.424 3.487 1.00 1.00 O ATOM 565 CB VAL A 39 -7.953 -2.503 1.714 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.767 -2.110 0.823 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.814 -3.980 2.088 1.00 1.00 C ATOM 0 H VAL A 39 -7.905 0.359 2.201 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.824 -2.021 3.642 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.879 -2.370 1.155 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.700 -2.800 -0.018 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.912 -1.096 0.451 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.845 -2.155 1.403 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.698 -4.575 1.182 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.939 -4.113 2.724 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.706 -4.305 2.624 1.00 1.00 H new ATOM 577 N VAL A 40 -6.456 -2.364 4.550 1.00 1.00 N ATOM 578 CA VAL A 40 -5.143 -2.513 5.221 1.00 1.00 C ATOM 579 C VAL A 40 -4.647 -3.940 4.993 1.00 1.00 C ATOM 580 O VAL A 40 -5.461 -4.857 4.983 1.00 1.00 O ATOM 581 CB VAL A 40 -5.209 -2.294 6.753 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.846 -1.846 7.291 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.240 -1.264 7.198 1.00 1.00 C ATOM 0 H VAL A 40 -7.108 -3.104 4.808 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.483 -1.756 4.798 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.508 -3.261 7.157 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.911 -1.697 8.369 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.100 -2.611 7.075 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.555 -0.911 6.812 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.219 -1.174 8.284 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.007 -0.298 6.749 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.233 -1.582 6.880 1.00 1.00 H new ATOM 593 N ILE A 41 -3.342 -4.170 4.841 1.00 1.00 N ATOM 594 CA ILE A 41 -2.781 -5.537 4.810 1.00 1.00 C ATOM 595 C ILE A 41 -2.834 -6.161 6.213 1.00 1.00 C ATOM 596 O ILE A 41 -2.735 -5.454 7.216 1.00 1.00 O ATOM 597 CB ILE A 41 -1.356 -5.496 4.217 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.384 -5.025 2.749 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.582 -6.824 4.313 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.235 -5.847 1.774 1.00 1.00 C ATOM 0 H ILE A 41 -2.646 -3.431 4.737 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.379 -6.178 4.163 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.818 -4.780 4.838 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.744 -3.996 2.729 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.359 -5.012 2.377 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.407 -6.701 3.872 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.480 -7.111 5.360 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.125 -7.601 3.775 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.169 -5.411 0.777 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.868 -6.873 1.747 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.274 -5.842 2.104 1.00 1.00 H new ATOM 612 N GLU A 42 -2.984 -7.488 6.288 1.00 1.00 N ATOM 613 CA GLU A 42 -3.269 -8.248 7.525 1.00 1.00 C ATOM 614 C GLU A 42 -2.270 -8.065 8.692 1.00 1.00 C ATOM 615 O GLU A 42 -2.621 -8.344 9.838 1.00 1.00 O ATOM 616 CB GLU A 42 -3.411 -9.747 7.192 1.00 1.00 C ATOM 617 CG GLU A 42 -4.774 -10.120 6.591 1.00 1.00 C ATOM 618 CD GLU A 42 -5.891 -10.117 7.642 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.084 -11.167 8.301 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.554 -9.064 7.788 1.00 1.00 O ATOM 0 H GLU A 42 -2.909 -8.088 5.467 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.201 -7.823 7.897 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.625 -10.030 6.492 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.253 -10.328 8.100 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.023 -9.417 5.796 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.710 -11.108 6.134 1.00 1.00 H new ATOM 627 N GLY A 43 -1.062 -7.550 8.446 1.00 1.00 N ATOM 628 CA GLY A 43 -0.086 -7.142 9.471 1.00 1.00 C ATOM 629 C GLY A 43 -0.431 -5.828 10.186 1.00 1.00 C ATOM 630 O GLY A 43 0.467 -5.021 10.425 1.00 1.00 O ATOM 0 H GLY A 43 -0.721 -7.399 7.497 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -0.004 -7.935 10.214 1.00 1.00 H new ATOM 0 HA3 GLY A 43 0.893 -7.041 9.003 1.00 1.00 H new ATOM 634 N ILE A 44 -1.711 -5.599 10.507 1.00 1.00 N ATOM 635 CA ILE A 44 -2.303 -4.336 11.003 1.00 1.00 C ATOM 636 C ILE A 44 -1.546 -3.621 12.138 1.00 1.00 C ATOM 637 O ILE A 44 -1.644 -2.399 12.265 1.00 1.00 O ATOM 638 CB ILE A 44 -3.809 -4.481 11.328 1.00 1.00 C ATOM 639 CG1 ILE A 44 -4.144 -5.221 12.642 1.00 1.00 C ATOM 640 CG2 ILE A 44 -4.596 -5.048 10.132 1.00 1.00 C ATOM 641 CD1 ILE A 44 -3.729 -6.693 12.726 1.00 1.00 C ATOM 0 H ILE A 44 -2.412 -6.335 10.424 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.189 -3.665 10.152 1.00 1.00 H new ATOM 0 HB ILE A 44 -4.141 -3.459 11.513 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -3.670 -4.686 13.465 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -5.221 -5.161 12.802 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -5.649 -5.135 10.398 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.492 -4.379 9.278 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.205 -6.032 9.872 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -4.019 -7.098 13.695 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -4.224 -7.256 11.935 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -2.648 -6.774 12.608 1.00 1.00 H new ATOM 653 N GLY A 45 -0.779 -4.353 12.955 1.00 1.00 N ATOM 654 CA GLY A 45 0.129 -3.793 13.967 1.00 1.00 C ATOM 655 C GLY A 45 1.282 -2.931 13.414 1.00 1.00 C ATOM 656 O GLY A 45 1.883 -2.171 14.179 1.00 1.00 O ATOM 0 H GLY A 45 -0.771 -5.373 12.932 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -0.455 -3.187 14.660 1.00 1.00 H new ATOM 0 HA3 GLY A 45 0.555 -4.614 14.543 1.00 1.00 H new ATOM 660 N GLY A 46 1.588 -3.012 12.111 1.00 1.00 N ATOM 661 CA GLY A 46 2.662 -2.240 11.460 1.00 1.00 C ATOM 662 C GLY A 46 2.473 -1.906 9.968 1.00 1.00 C ATOM 663 O GLY A 46 3.226 -1.084 9.440 1.00 1.00 O ATOM 0 H GLY A 46 1.089 -3.626 11.467 1.00 1.00 H new ATOM 0 HA2 GLY A 46 2.785 -1.304 12.004 1.00 1.00 H new ATOM 0 HA3 GLY A 46 3.593 -2.796 11.568 1.00 1.00 H new ATOM 667 N THR A 47 1.494 -2.498 9.275 1.00 1.00 N ATOM 668 CA THR A 47 1.115 -2.148 7.887 1.00 1.00 C ATOM 669 C THR A 47 0.402 -0.784 7.788 1.00 1.00 C ATOM 670 O THR A 47 0.133 -0.123 8.797 1.00 1.00 O ATOM 671 CB THR A 47 0.238 -3.252 7.268 1.00 1.00 C ATOM 672 OG1 THR A 47 -0.866 -3.502 8.098 1.00 1.00 O ATOM 673 CG2 THR A 47 1.018 -4.554 7.075 1.00 1.00 C ATOM 0 H THR A 47 0.927 -3.251 9.665 1.00 1.00 H new ATOM 0 HA THR A 47 2.044 -2.065 7.323 1.00 1.00 H new ATOM 0 HB THR A 47 -0.092 -2.900 6.291 1.00 1.00 H new ATOM 0 HG1 THR A 47 -1.434 -4.188 7.689 1.00 1.00 H new ATOM 0 HG21 THR A 47 0.365 -5.308 6.636 1.00 1.00 H new ATOM 0 HG22 THR A 47 1.864 -4.376 6.411 1.00 1.00 H new ATOM 0 HG23 THR A 47 1.382 -4.907 8.040 1.00 1.00 H new ATOM 681 N ILE A 48 0.105 -0.339 6.558 1.00 1.00 N ATOM 682 CA ILE A 48 -0.410 1.006 6.234 1.00 1.00 C ATOM 683 C ILE A 48 -1.667 0.885 5.354 1.00 1.00 C ATOM 684 O ILE A 48 -1.706 0.080 4.421 1.00 1.00 O ATOM 685 CB ILE A 48 0.707 1.839 5.547 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.903 2.050 6.512 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.175 3.194 5.043 1.00 1.00 C ATOM 688 CD1 ILE A 48 3.105 2.784 5.903 1.00 1.00 C ATOM 0 H ILE A 48 0.220 -0.924 5.730 1.00 1.00 H new ATOM 0 HA ILE A 48 -0.699 1.527 7.147 1.00 1.00 H new ATOM 0 HB ILE A 48 1.052 1.275 4.680 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.556 2.610 7.380 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.235 1.077 6.873 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.984 3.749 4.568 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.623 3.025 4.319 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.214 3.768 5.884 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.889 2.883 6.654 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.486 2.217 5.054 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.795 3.774 5.569 1.00 1.00 H new ATOM 700 N SER A 49 -2.697 1.683 5.656 1.00 1.00 N ATOM 701 CA SER A 49 -3.964 1.738 4.905 1.00 1.00 C ATOM 702 C SER A 49 -3.793 2.292 3.483 1.00 1.00 C ATOM 703 O SER A 49 -2.956 3.165 3.240 1.00 1.00 O ATOM 704 CB SER A 49 -4.980 2.629 5.633 1.00 1.00 C ATOM 705 OG SER A 49 -5.126 2.227 6.987 1.00 1.00 O ATOM 0 H SER A 49 -2.676 2.326 6.448 1.00 1.00 H new ATOM 0 HA SER A 49 -4.316 0.709 4.839 1.00 1.00 H new ATOM 0 HB2 SER A 49 -4.654 3.668 5.591 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.944 2.576 5.128 1.00 1.00 H new ATOM 0 HG SER A 49 -5.776 2.809 7.433 1.00 1.00 H new ATOM 711 N LYS A 50 -4.635 1.834 2.550 1.00 1.00 N ATOM 712 CA LYS A 50 -4.645 2.214 1.125 1.00 1.00 C ATOM 713 C LYS A 50 -6.079 2.313 0.590 1.00 1.00 C ATOM 714 O LYS A 50 -6.999 1.718 1.157 1.00 1.00 O ATOM 715 CB LYS A 50 -3.892 1.145 0.305 1.00 1.00 C ATOM 716 CG LYS A 50 -2.421 0.892 0.679 1.00 1.00 C ATOM 717 CD LYS A 50 -1.495 2.057 0.309 1.00 1.00 C ATOM 718 CE LYS A 50 -0.069 1.743 0.770 1.00 1.00 C ATOM 719 NZ LYS A 50 0.873 2.800 0.349 1.00 1.00 N ATOM 0 H LYS A 50 -5.364 1.156 2.774 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.162 3.186 1.030 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.433 0.203 0.397 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.931 1.433 -0.745 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.352 0.708 1.751 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -2.075 -0.012 0.177 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.512 2.221 -0.768 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.846 2.977 0.777 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.048 1.645 1.855 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.247 0.785 0.357 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.781 2.672 0.840 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 1.024 2.742 -0.678 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.479 3.732 0.589 1.00 1.00 H new ATOM 733 N SER A 51 -6.269 3.024 -0.521 1.00 1.00 N ATOM 734 CA SER A 51 -7.536 3.027 -1.271 1.00 1.00 C ATOM 735 C SER A 51 -7.736 1.685 -1.984 1.00 1.00 C ATOM 736 O SER A 51 -6.763 1.015 -2.341 1.00 1.00 O ATOM 737 CB SER A 51 -7.548 4.164 -2.299 1.00 1.00 C ATOM 738 OG SER A 51 -7.447 5.419 -1.643 1.00 1.00 O ATOM 0 H SER A 51 -5.549 3.618 -0.932 1.00 1.00 H new ATOM 0 HA SER A 51 -8.351 3.180 -0.564 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.719 4.042 -2.996 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.466 4.125 -2.885 1.00 1.00 H new ATOM 0 HG SER A 51 -7.454 6.138 -2.309 1.00 1.00 H new ATOM 744 N ALA A 52 -8.991 1.295 -2.211 1.00 1.00 N ATOM 745 CA ALA A 52 -9.331 -0.019 -2.764 1.00 1.00 C ATOM 746 C ALA A 52 -10.529 0.004 -3.733 1.00 1.00 C ATOM 747 O ALA A 52 -11.484 0.752 -3.522 1.00 1.00 O ATOM 748 CB ALA A 52 -9.595 -0.976 -1.595 1.00 1.00 C ATOM 0 H ALA A 52 -9.803 1.882 -2.017 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.487 -0.357 -3.365 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.850 -1.962 -1.983 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.701 -1.050 -0.976 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.422 -0.597 -0.994 1.00 1.00 H new ATOM 754 N VAL A 53 -10.495 -0.866 -4.750 1.00 1.00 N ATOM 755 CA VAL A 53 -11.588 -1.155 -5.708 1.00 1.00 C ATOM 756 C VAL A 53 -11.853 -2.664 -5.824 1.00 1.00 C ATOM 757 O VAL A 53 -10.973 -3.477 -5.535 1.00 1.00 O ATOM 758 CB VAL A 53 -11.317 -0.565 -7.109 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.207 0.958 -7.057 1.00 1.00 C ATOM 760 CG2 VAL A 53 -10.063 -1.123 -7.794 1.00 1.00 C ATOM 0 H VAL A 53 -9.662 -1.422 -4.944 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.476 -0.669 -5.305 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.178 -0.868 -7.705 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -11.016 1.343 -8.059 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.139 1.377 -6.678 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.387 1.241 -6.397 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.945 -0.657 -8.772 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.187 -0.907 -7.182 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.164 -2.201 -7.915 1.00 1.00 H new ATOM 770 N SER A 54 -13.061 -3.059 -6.247 1.00 1.00 N ATOM 771 CA SER A 54 -13.430 -4.465 -6.440 1.00 1.00 C ATOM 772 C SER A 54 -12.923 -4.998 -7.784 1.00 1.00 C ATOM 773 O SER A 54 -13.408 -4.602 -8.847 1.00 1.00 O ATOM 774 CB SER A 54 -14.945 -4.628 -6.336 1.00 1.00 C ATOM 775 OG SER A 54 -15.265 -6.004 -6.338 1.00 1.00 O ATOM 0 H SER A 54 -13.814 -2.406 -6.466 1.00 1.00 H new ATOM 0 HA SER A 54 -12.955 -5.051 -5.653 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.312 -4.158 -5.423 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.435 -4.127 -7.171 1.00 1.00 H new ATOM 0 HG SER A 54 -15.958 -6.180 -5.667 1.00 1.00 H new ATOM 781 N PHE A 55 -11.949 -5.910 -7.743 1.00 1.00 N ATOM 782 CA PHE A 55 -11.417 -6.599 -8.926 1.00 1.00 C ATOM 783 C PHE A 55 -12.458 -7.510 -9.597 1.00 1.00 C ATOM 784 O PHE A 55 -12.488 -7.645 -10.821 1.00 1.00 O ATOM 785 CB PHE A 55 -10.214 -7.440 -8.486 1.00 1.00 C ATOM 786 CG PHE A 55 -9.507 -8.188 -9.606 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.446 -7.584 -10.306 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.880 -9.512 -9.918 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.762 -8.293 -11.309 1.00 1.00 C ATOM 790 CE2 PHE A 55 -9.198 -10.221 -10.924 1.00 1.00 C ATOM 791 CZ PHE A 55 -8.138 -9.612 -11.620 1.00 1.00 C ATOM 0 H PHE A 55 -11.499 -6.197 -6.874 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.132 -5.846 -9.661 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.493 -6.786 -7.995 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.548 -8.163 -7.741 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.156 -6.571 -10.071 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.691 -9.983 -9.383 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -6.947 -7.824 -11.841 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -9.489 -11.234 -11.162 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.614 -10.156 -12.392 1.00 1.00 H new ATOM 801 N ASP A 56 -13.325 -8.129 -8.790 1.00 1.00 N ATOM 802 CA ASP A 56 -14.247 -9.192 -9.208 1.00 1.00 C ATOM 803 C ASP A 56 -15.689 -8.696 -9.449 1.00 1.00 C ATOM 804 O ASP A 56 -16.596 -9.503 -9.651 1.00 1.00 O ATOM 805 CB ASP A 56 -14.174 -10.310 -8.154 1.00 1.00 C ATOM 806 CG ASP A 56 -14.828 -11.615 -8.622 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.386 -12.155 -9.664 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.751 -12.092 -7.920 1.00 1.00 O ATOM 0 H ASP A 56 -13.408 -7.899 -7.800 1.00 1.00 H new ATOM 0 HA ASP A 56 -13.938 -9.573 -10.181 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.130 -10.501 -7.906 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.662 -9.973 -7.240 1.00 1.00 H new ATOM 813 N ASN A 57 -15.907 -7.372 -9.445 1.00 1.00 N ATOM 814 CA ASN A 57 -17.211 -6.722 -9.605 1.00 1.00 C ATOM 815 C ASN A 57 -18.247 -7.225 -8.568 1.00 1.00 C ATOM 816 O ASN A 57 -19.391 -7.553 -8.898 1.00 1.00 O ATOM 817 CB ASN A 57 -17.630 -6.810 -11.091 1.00 1.00 C ATOM 818 CG ASN A 57 -18.658 -5.773 -11.525 1.00 1.00 C ATOM 819 OD1 ASN A 57 -18.366 -4.842 -12.263 1.00 1.00 O ATOM 820 ND2 ASN A 57 -19.900 -5.916 -11.123 1.00 1.00 N ATOM 0 H ASN A 57 -15.148 -6.701 -9.325 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.147 -5.660 -9.370 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -16.741 -6.702 -11.712 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -18.034 -7.804 -11.282 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -20.614 -5.253 -11.426 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -20.151 -6.690 -10.508 1.00 1.00 H new ATOM 827 N GLN A 58 -17.828 -7.298 -7.300 1.00 1.00 N ATOM 828 CA GLN A 58 -18.649 -7.715 -6.149 1.00 1.00 C ATOM 829 C GLN A 58 -18.514 -6.725 -4.981 1.00 1.00 C ATOM 830 O GLN A 58 -17.499 -6.042 -4.850 1.00 1.00 O ATOM 831 CB GLN A 58 -18.276 -9.136 -5.685 1.00 1.00 C ATOM 832 CG GLN A 58 -18.732 -10.226 -6.669 1.00 1.00 C ATOM 833 CD GLN A 58 -18.877 -11.584 -5.982 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.811 -11.830 -5.228 1.00 1.00 O ATOM 835 NE2 GLN A 58 -17.981 -12.521 -6.202 1.00 1.00 N ATOM 0 H GLN A 58 -16.873 -7.060 -7.033 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.688 -7.720 -6.477 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -17.195 -9.199 -5.556 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.725 -9.324 -4.709 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -19.685 -9.939 -7.113 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -18.012 -10.305 -7.483 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -17.195 -12.339 -6.826 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -18.072 -13.430 -5.749 1.00 1.00 H new ATOM 844 N GLN A 59 -19.544 -6.624 -4.137 1.00 1.00 N ATOM 845 CA GLN A 59 -19.569 -5.668 -3.026 1.00 1.00 C ATOM 846 C GLN A 59 -18.728 -6.200 -1.853 1.00 1.00 C ATOM 847 O GLN A 59 -18.835 -7.373 -1.485 1.00 1.00 O ATOM 848 CB GLN A 59 -21.026 -5.411 -2.597 1.00 1.00 C ATOM 849 CG GLN A 59 -21.202 -4.059 -1.881 1.00 1.00 C ATOM 850 CD GLN A 59 -22.536 -3.981 -1.139 1.00 1.00 C ATOM 851 OE1 GLN A 59 -23.593 -3.789 -1.728 1.00 1.00 O ATOM 852 NE2 GLN A 59 -22.555 -4.123 0.171 1.00 1.00 N ATOM 0 H GLN A 59 -20.382 -7.201 -4.204 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.134 -4.722 -3.348 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.670 -5.439 -3.476 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.353 -6.214 -1.936 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -20.384 -3.912 -1.176 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.143 -3.251 -2.610 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -21.685 -4.284 0.679 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -23.439 -4.072 0.677 1.00 1.00 H new ATOM 861 N ILE A 60 -17.920 -5.330 -1.246 1.00 1.00 N ATOM 862 CA ILE A 60 -16.989 -5.666 -0.165 1.00 1.00 C ATOM 863 C ILE A 60 -17.211 -4.692 0.995 1.00 1.00 C ATOM 864 O ILE A 60 -16.609 -3.621 1.072 1.00 1.00 O ATOM 865 CB ILE A 60 -15.513 -5.722 -0.637 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.330 -6.184 -2.105 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.778 -6.652 0.332 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.877 -6.201 -2.599 1.00 1.00 C ATOM 0 H ILE A 60 -17.894 -4.342 -1.500 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.198 -6.678 0.182 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.102 -4.712 -0.625 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.746 -7.186 -2.210 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -15.911 -5.528 -2.753 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.730 -6.725 0.042 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.847 -6.252 1.343 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.233 -7.642 0.302 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.849 -6.537 -3.635 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.458 -5.197 -2.532 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.291 -6.881 -1.981 1.00 1.00 H new ATOM 880 N SER A 61 -18.166 -5.033 1.855 1.00 1.00 N ATOM 881 CA SER A 61 -18.506 -4.275 3.064 1.00 1.00 C ATOM 882 C SER A 61 -17.368 -4.279 4.104 1.00 1.00 C ATOM 883 O SER A 61 -16.416 -5.060 4.018 1.00 1.00 O ATOM 884 CB SER A 61 -19.793 -4.847 3.672 1.00 1.00 C ATOM 885 OG SER A 61 -20.838 -4.835 2.705 1.00 1.00 O ATOM 0 H SER A 61 -18.742 -5.865 1.731 1.00 1.00 H new ATOM 0 HA SER A 61 -18.659 -3.235 2.776 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.619 -5.866 4.019 1.00 1.00 H new ATOM 0 HB3 SER A 61 -20.086 -4.260 4.542 1.00 1.00 H new ATOM 0 HG SER A 61 -21.655 -5.203 3.102 1.00 1.00 H new ATOM 891 N TYR A 62 -17.481 -3.409 5.112 1.00 1.00 N ATOM 892 CA TYR A 62 -16.546 -3.301 6.240 1.00 1.00 C ATOM 893 C TYR A 62 -16.285 -4.645 6.952 1.00 1.00 C ATOM 894 O TYR A 62 -17.207 -5.438 7.164 1.00 1.00 O ATOM 895 CB TYR A 62 -17.129 -2.285 7.238 1.00 1.00 C ATOM 896 CG TYR A 62 -16.294 -2.074 8.489 1.00 1.00 C ATOM 897 CD1 TYR A 62 -15.292 -1.090 8.497 1.00 1.00 C ATOM 898 CD2 TYR A 62 -16.510 -2.864 9.636 1.00 1.00 C ATOM 899 CE1 TYR A 62 -14.490 -0.900 9.639 1.00 1.00 C ATOM 900 CE2 TYR A 62 -15.710 -2.681 10.782 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.694 -1.698 10.785 1.00 1.00 C ATOM 902 OH TYR A 62 -13.916 -1.510 11.887 1.00 1.00 O ATOM 0 H TYR A 62 -18.248 -2.739 5.169 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.581 -2.977 5.850 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.249 -1.327 6.732 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -18.124 -2.617 7.534 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -15.136 -0.476 7.623 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -17.290 -3.611 9.637 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -13.719 -0.144 9.638 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -15.873 -3.292 11.658 1.00 1.00 H new ATOM 0 HH TYR A 62 -14.185 -2.139 12.589 1.00 1.00 H new ATOM 912 N GLY A 63 -15.037 -4.876 7.376 1.00 1.00 N ATOM 913 CA GLY A 63 -14.678 -5.989 8.262 1.00 1.00 C ATOM 914 C GLY A 63 -14.631 -7.379 7.616 1.00 1.00 C ATOM 915 O GLY A 63 -15.068 -8.346 8.243 1.00 1.00 O ATOM 0 H GLY A 63 -14.243 -4.292 7.112 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.701 -5.780 8.697 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.393 -6.017 9.084 1.00 1.00 H new ATOM 919 N THR A 64 -14.102 -7.506 6.391 1.00 1.00 N ATOM 920 CA THR A 64 -13.924 -8.807 5.709 1.00 1.00 C ATOM 921 C THR A 64 -12.504 -8.995 5.172 1.00 1.00 C ATOM 922 O THR A 64 -11.779 -8.018 4.961 1.00 1.00 O ATOM 923 CB THR A 64 -14.975 -8.998 4.604 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.110 -10.372 4.322 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.645 -8.294 3.294 1.00 1.00 C ATOM 0 H THR A 64 -13.783 -6.710 5.839 1.00 1.00 H new ATOM 0 HA THR A 64 -14.077 -9.584 6.458 1.00 1.00 H new ATOM 0 HB THR A 64 -15.892 -8.555 4.993 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.781 -10.497 3.619 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.438 -8.481 2.570 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.559 -7.222 3.469 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.701 -8.675 2.904 1.00 1.00 H new ATOM 933 N THR A 65 -12.095 -10.249 4.964 1.00 1.00 N ATOM 934 CA THR A 65 -10.734 -10.611 4.530 1.00 1.00 C ATOM 935 C THR A 65 -10.673 -10.739 3.013 1.00 1.00 C ATOM 936 O THR A 65 -11.413 -11.512 2.397 1.00 1.00 O ATOM 937 CB THR A 65 -10.224 -11.903 5.188 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.383 -11.824 6.589 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.737 -12.134 4.914 1.00 1.00 C ATOM 0 H THR A 65 -12.705 -11.056 5.093 1.00 1.00 H new ATOM 0 HA THR A 65 -10.078 -9.803 4.855 1.00 1.00 H new ATOM 0 HB THR A 65 -10.804 -12.723 4.765 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.058 -12.651 7.002 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.417 -13.057 5.397 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.573 -12.211 3.839 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.160 -11.299 5.310 1.00 1.00 H new ATOM 947 N VAL A 66 -9.750 -9.995 2.410 1.00 1.00 N ATOM 948 CA VAL A 66 -9.636 -9.796 0.960 1.00 1.00 C ATOM 949 C VAL A 66 -8.234 -10.145 0.472 1.00 1.00 C ATOM 950 O VAL A 66 -7.260 -9.901 1.172 1.00 1.00 O ATOM 951 CB VAL A 66 -9.964 -8.337 0.581 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.445 -8.017 0.778 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.176 -7.279 1.372 1.00 1.00 C ATOM 0 H VAL A 66 -9.032 -9.494 2.933 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.354 -10.460 0.478 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.675 -8.280 -0.469 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.633 -6.980 0.500 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.046 -8.676 0.151 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.714 -8.167 1.824 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.470 -6.283 1.040 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.390 -7.385 2.435 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.108 -7.418 1.201 1.00 1.00 H new ATOM 963 N LEU A 67 -8.113 -10.699 -0.731 1.00 1.00 N ATOM 964 CA LEU A 67 -6.826 -10.876 -1.406 1.00 1.00 C ATOM 965 C LEU A 67 -6.603 -9.670 -2.320 1.00 1.00 C ATOM 966 O LEU A 67 -7.463 -9.350 -3.147 1.00 1.00 O ATOM 967 CB LEU A 67 -6.854 -12.195 -2.203 1.00 1.00 C ATOM 968 CG LEU A 67 -5.568 -12.510 -2.995 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.374 -12.795 -2.082 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.791 -13.741 -3.873 1.00 1.00 C ATOM 0 H LEU A 67 -8.909 -11.041 -1.270 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.005 -10.935 -0.692 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.046 -13.015 -1.511 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.692 -12.163 -2.899 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.345 -11.628 -3.595 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.495 -13.011 -2.689 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.178 -11.924 -1.457 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.597 -13.654 -1.449 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.880 -13.960 -4.431 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -6.046 -14.595 -3.245 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.606 -13.548 -4.571 1.00 1.00 H new ATOM 982 N VAL A 68 -5.461 -8.997 -2.179 1.00 1.00 N ATOM 983 CA VAL A 68 -5.049 -7.969 -3.146 1.00 1.00 C ATOM 984 C VAL A 68 -4.577 -8.671 -4.419 1.00 1.00 C ATOM 985 O VAL A 68 -3.663 -9.493 -4.372 1.00 1.00 O ATOM 986 CB VAL A 68 -3.951 -7.042 -2.594 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.754 -5.859 -3.545 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.315 -6.490 -1.211 1.00 1.00 C ATOM 0 H VAL A 68 -4.806 -9.141 -1.411 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.904 -7.328 -3.358 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.038 -7.631 -2.508 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -2.976 -5.203 -3.154 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.458 -6.227 -4.527 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.688 -5.303 -3.632 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.515 -5.841 -0.856 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.242 -5.920 -1.279 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.448 -7.316 -0.513 1.00 1.00 H new ATOM 998 N VAL A 69 -5.209 -8.367 -5.553 1.00 1.00 N ATOM 999 CA VAL A 69 -5.041 -9.090 -6.832 1.00 1.00 C ATOM 1000 C VAL A 69 -4.482 -8.212 -7.962 1.00 1.00 C ATOM 1001 O VAL A 69 -3.917 -8.735 -8.921 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.341 -9.797 -7.259 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.530 -11.103 -6.479 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.595 -8.946 -7.045 1.00 1.00 C ATOM 0 H VAL A 69 -5.870 -7.593 -5.618 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.287 -9.854 -6.644 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.227 -9.985 -8.327 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.454 -11.586 -6.796 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.688 -11.768 -6.673 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.582 -10.885 -5.412 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.474 -9.505 -7.367 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.690 -8.698 -5.988 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.516 -8.028 -7.628 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.565 -6.886 -7.836 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.884 -5.909 -8.700 1.00 1.00 C ATOM 1016 C ASP A 70 -3.579 -4.644 -7.878 1.00 1.00 C ATOM 1017 O ASP A 70 -4.187 -4.435 -6.830 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.725 -5.578 -9.947 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.861 -5.348 -11.191 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -3.028 -4.412 -11.156 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -4.030 -6.103 -12.176 1.00 1.00 O ATOM 0 H ASP A 70 -5.125 -6.444 -7.107 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.949 -6.339 -9.059 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.422 -6.394 -10.138 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.322 -4.687 -9.753 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.638 -3.805 -8.311 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.131 -2.657 -7.534 1.00 1.00 C ATOM 1028 C ILE A 71 -1.738 -1.516 -8.479 1.00 1.00 C ATOM 1029 O ILE A 71 -1.020 -1.731 -9.458 1.00 1.00 O ATOM 1030 CB ILE A 71 -0.937 -3.096 -6.640 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.416 -4.142 -5.607 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.297 -1.900 -5.921 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.481 -4.463 -4.443 1.00 1.00 C ATOM 0 H ILE A 71 -2.195 -3.899 -9.225 1.00 1.00 H new ATOM 0 HA ILE A 71 -2.919 -2.291 -6.876 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.178 -3.538 -7.285 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.363 -3.796 -5.192 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.622 -5.071 -6.139 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.533 -2.247 -5.306 1.00 1.00 H new ATOM 0 HG22 ILE A 71 0.071 -1.186 -6.658 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.040 -1.416 -5.287 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.945 -5.211 -3.799 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.461 -4.851 -4.830 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.291 -3.557 -3.868 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.192 -0.294 -8.173 1.00 1.00 N ATOM 1046 CA ASN A 72 -1.963 0.896 -8.993 1.00 1.00 C ATOM 1047 C ASN A 72 -1.804 2.178 -8.144 1.00 1.00 C ATOM 1048 O ASN A 72 -2.791 2.798 -7.744 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.111 1.005 -10.013 1.00 1.00 C ATOM 1050 CG ASN A 72 -2.773 1.980 -11.132 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -2.411 3.130 -10.922 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.822 1.537 -12.367 1.00 1.00 N ATOM 0 H ASN A 72 -2.738 -0.104 -7.333 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.016 0.793 -9.523 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.318 0.022 -10.436 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.019 1.332 -9.507 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -2.560 2.150 -13.139 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.122 0.580 -12.554 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.555 2.586 -7.883 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.168 3.881 -7.286 1.00 1.00 C ATOM 1061 C ASN A 73 -0.985 4.329 -6.042 1.00 1.00 C ATOM 1062 O ASN A 73 -1.344 5.502 -5.910 1.00 1.00 O ATOM 1063 CB ASN A 73 -0.152 4.938 -8.413 1.00 1.00 C ATOM 1064 CG ASN A 73 0.805 4.596 -9.542 1.00 1.00 C ATOM 1065 OD1 ASN A 73 2.015 4.743 -9.427 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.309 4.121 -10.662 1.00 1.00 N ATOM 0 H ASN A 73 0.253 1.999 -8.090 1.00 1.00 H new ATOM 0 HA ASN A 73 0.828 3.758 -6.859 1.00 1.00 H new ATOM 0 HB2 ASN A 73 -1.159 5.043 -8.818 1.00 1.00 H new ATOM 0 HB3 ASN A 73 0.124 5.905 -7.992 1.00 1.00 H new ATOM 0 HD21 ASN A 73 0.931 3.876 -11.432 1.00 1.00 H new ATOM 0 HD22 ASN A 73 -0.699 3.997 -10.761 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.314 3.396 -5.141 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.079 3.646 -3.907 1.00 1.00 C ATOM 1075 C GLY A 74 -3.545 3.191 -3.955 1.00 1.00 C ATOM 1076 O GLY A 74 -4.199 3.140 -2.912 1.00 1.00 O ATOM 0 H GLY A 74 -1.049 2.417 -5.251 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.583 3.139 -3.080 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.051 4.714 -3.689 1.00 1.00 H new ATOM 1080 N VAL A 75 -4.046 2.820 -5.137 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.363 2.202 -5.361 1.00 1.00 C ATOM 1082 C VAL A 75 -5.155 0.719 -5.657 1.00 1.00 C ATOM 1083 O VAL A 75 -4.744 0.319 -6.748 1.00 1.00 O ATOM 1084 CB VAL A 75 -6.155 2.894 -6.491 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.567 2.301 -6.600 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.308 4.401 -6.243 1.00 1.00 C ATOM 0 H VAL A 75 -3.524 2.946 -6.004 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.966 2.322 -4.461 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.590 2.730 -7.409 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -8.111 2.801 -7.402 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.498 1.235 -6.818 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.096 2.445 -5.658 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.871 4.849 -7.062 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.839 4.563 -5.305 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.322 4.862 -6.186 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.385 -0.108 -4.642 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.348 -1.563 -4.733 1.00 1.00 C ATOM 1098 C LEU A 76 -6.643 -2.081 -5.382 1.00 1.00 C ATOM 1099 O LEU A 76 -7.723 -1.532 -5.174 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.175 -2.119 -3.305 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.723 -2.116 -2.781 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -2.994 -0.773 -2.866 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.710 -2.573 -1.323 1.00 1.00 C ATOM 0 H LEU A 76 -5.609 0.227 -3.705 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.517 -1.894 -5.356 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.793 -1.533 -2.625 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.553 -3.141 -3.280 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.185 -2.796 -3.441 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -1.983 -0.882 -2.472 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.946 -0.450 -3.906 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.533 -0.029 -2.280 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.686 -2.572 -0.950 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.315 -1.893 -0.723 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -4.120 -3.581 -1.254 1.00 1.00 H new ATOM 1115 N SER A 77 -6.550 -3.182 -6.116 1.00 1.00 N ATOM 1116 CA SER A 77 -7.690 -3.941 -6.634 1.00 1.00 C ATOM 1117 C SER A 77 -7.765 -5.246 -5.853 1.00 1.00 C ATOM 1118 O SER A 77 -6.791 -6.003 -5.800 1.00 1.00 O ATOM 1119 CB SER A 77 -7.526 -4.195 -8.132 1.00 1.00 C ATOM 1120 OG SER A 77 -8.797 -4.354 -8.732 1.00 1.00 O ATOM 0 H SER A 77 -5.652 -3.588 -6.378 1.00 1.00 H new ATOM 0 HA SER A 77 -8.617 -3.382 -6.508 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.996 -3.363 -8.596 1.00 1.00 H new ATOM 0 HB3 SER A 77 -6.922 -5.088 -8.295 1.00 1.00 H new ATOM 0 HG SER A 77 -8.688 -4.515 -9.692 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.897 -5.493 -5.194 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.049 -6.582 -4.216 1.00 1.00 C ATOM 1128 C VAL A 78 -10.313 -7.410 -4.456 1.00 1.00 C ATOM 1129 O VAL A 78 -11.240 -6.980 -5.144 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.980 -6.042 -2.764 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.827 -5.055 -2.535 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.260 -5.340 -2.302 1.00 1.00 C ATOM 0 H VAL A 78 -9.745 -4.940 -5.322 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.208 -7.260 -4.358 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.824 -6.949 -2.180 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.838 -4.717 -1.499 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.878 -5.549 -2.746 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.945 -4.198 -3.198 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.134 -4.991 -1.277 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.464 -4.490 -2.953 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.095 -6.039 -2.347 1.00 1.00 H new ATOM 1142 N THR A 79 -10.359 -8.605 -3.869 1.00 1.00 N ATOM 1143 CA THR A 79 -11.510 -9.526 -3.933 1.00 1.00 C ATOM 1144 C THR A 79 -11.663 -10.281 -2.601 1.00 1.00 C ATOM 1145 O THR A 79 -10.642 -10.617 -1.992 1.00 1.00 O ATOM 1146 CB THR A 79 -11.338 -10.493 -5.121 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.450 -11.354 -5.209 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.085 -11.372 -5.058 1.00 1.00 C ATOM 0 H THR A 79 -9.582 -8.975 -3.321 1.00 1.00 H new ATOM 0 HA THR A 79 -12.425 -8.956 -4.093 1.00 1.00 H new ATOM 0 HB THR A 79 -11.242 -9.845 -5.992 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.333 -11.963 -5.967 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.050 -12.018 -5.935 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.198 -10.740 -5.037 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.115 -11.984 -4.157 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.884 -10.531 -2.083 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.091 -11.198 -0.796 1.00 1.00 C ATOM 1158 C PRO A 80 -12.744 -12.696 -0.848 1.00 1.00 C ATOM 1159 O PRO A 80 -13.578 -13.546 -1.169 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.541 -10.910 -0.410 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.249 -10.738 -1.756 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.168 -10.117 -2.642 1.00 1.00 C ATOM 0 HA PRO A 80 -12.416 -10.816 -0.030 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.972 -11.728 0.167 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.621 -10.012 0.202 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.596 -11.692 -2.153 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.122 -10.091 -1.672 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.270 -10.456 -3.673 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.253 -9.030 -2.654 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.487 -13.018 -0.531 1.00 1.00 N ATOM 1171 CA HIS A 81 -10.978 -14.391 -0.461 1.00 1.00 C ATOM 1172 C HIS A 81 -11.581 -15.161 0.733 1.00 1.00 C ATOM 1173 O HIS A 81 -11.870 -16.352 0.611 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.440 -14.346 -0.392 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.724 -15.683 -0.454 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.273 -16.939 -0.303 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.382 -15.873 -0.663 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.299 -17.854 -0.419 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.119 -17.250 -0.640 1.00 1.00 N ATOM 0 H HIS A 81 -10.780 -12.317 -0.311 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.281 -14.934 -1.357 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.079 -13.726 -1.213 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.154 -13.847 0.534 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.258 -17.139 -0.131 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.651 -15.093 -0.819 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.442 -18.922 -0.345 1.00 1.00 H new ATOM 1187 N GLU A 82 -11.780 -14.484 1.873 1.00 1.00 N ATOM 1188 CA GLU A 82 -12.252 -15.051 3.153 1.00 1.00 C ATOM 1189 C GLU A 82 -11.680 -16.456 3.499 1.00 1.00 C ATOM 1190 O GLU A 82 -12.447 -17.405 3.704 1.00 1.00 O ATOM 1191 CB GLU A 82 -13.789 -14.977 3.217 1.00 1.00 C ATOM 1192 CG GLU A 82 -14.301 -13.528 3.196 1.00 1.00 C ATOM 1193 CD GLU A 82 -15.828 -13.480 3.323 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -16.339 -13.758 4.436 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -16.497 -13.176 2.306 1.00 1.00 O ATOM 0 H GLU A 82 -11.610 -13.480 1.935 1.00 1.00 H new ATOM 0 HA GLU A 82 -11.842 -14.429 3.948 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.213 -15.523 2.374 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.138 -15.471 4.124 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -13.847 -12.967 4.013 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -13.995 -13.044 2.268 1.00 1.00 H new ATOM 1202 N PRO A 83 -10.338 -16.627 3.546 1.00 1.00 N ATOM 1203 CA PRO A 83 -9.700 -17.909 3.858 1.00 1.00 C ATOM 1204 C PRO A 83 -9.933 -18.349 5.317 1.00 1.00 C ATOM 1205 O PRO A 83 -10.195 -17.530 6.201 1.00 1.00 O ATOM 1206 CB PRO A 83 -8.210 -17.698 3.563 1.00 1.00 C ATOM 1207 CG PRO A 83 -8.002 -16.211 3.839 1.00 1.00 C ATOM 1208 CD PRO A 83 -9.322 -15.593 3.382 1.00 1.00 C ATOM 0 HA PRO A 83 -10.126 -18.714 3.259 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -7.582 -18.317 4.203 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -7.964 -17.954 2.532 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -7.810 -16.019 4.895 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -7.154 -15.811 3.283 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -9.565 -14.712 3.976 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -9.261 -15.270 2.343 1.00 1.00 H new ATOM 1216 N ILE A 84 -9.780 -19.655 5.571 1.00 1.00 N ATOM 1217 CA ILE A 84 -10.000 -20.319 6.871 1.00 1.00 C ATOM 1218 C ILE A 84 -8.837 -21.276 7.175 1.00 1.00 C ATOM 1219 O ILE A 84 -8.392 -22.040 6.306 1.00 1.00 O ATOM 1220 CB ILE A 84 -11.357 -21.072 6.881 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -12.585 -20.165 6.621 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -11.559 -21.854 8.195 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -12.897 -19.125 7.708 1.00 1.00 C ATOM 0 H ILE A 84 -9.487 -20.310 4.847 1.00 1.00 H new ATOM 0 HA ILE A 84 -10.036 -19.559 7.652 1.00 1.00 H new ATOM 0 HB ILE A 84 -11.296 -21.768 6.044 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -12.431 -19.641 5.678 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -13.461 -20.801 6.493 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -12.519 -22.369 8.168 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -10.758 -22.584 8.310 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -11.543 -21.162 9.037 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -13.776 -18.549 7.419 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -13.091 -19.633 8.653 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -12.046 -18.454 7.825 1.00 1.00 H new TER 1235 ILE A 84