USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=19 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 59 GLN : amide:sc= 0.241 K(o=0.86,f=-0.015) USER MOD Set 1.2: A 61 SER OG : rot 88:sc= 0.616 USER MOD Set 2.1: A 1 GLY N :NH3+ -160:sc= -0.0155 (180deg=-0.0185) USER MOD Set 2.2: A 3 HIS : no HD1:sc= -0.391 X(o=-0.41,f=-0.12) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 74:sc= 0.977 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -107:sc= 0.017 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -1:sc= 0.305 USER MOD Single : A 47 THR OG1 : rot -77:sc= 0.975 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 110:sc= 0.495 USER MOD Single : A 57 ASN : amide:sc= 0.98 K(o=0.98,f=0) USER MOD Single : A 58 GLN : amide:sc= 1.01 K(o=1,f=-0.076) 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 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.0475 K(o=-0.047,f=-0.6) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0217 USER MOD Single : A 81 HIS : no HE2:sc= 0.366 K(o=0.37,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.842 18.947 -8.107 1.00 1.00 N ATOM 2 CA GLY A 1 17.039 17.499 -8.015 1.00 1.00 C ATOM 3 C GLY A 1 16.271 16.824 -6.870 1.00 1.00 C ATOM 4 O GLY A 1 16.013 15.621 -6.930 1.00 1.00 O ATOM 0 H1 GLY A 1 17.096 19.272 -9.062 1.00 1.00 H new ATOM 0 H2 GLY A 1 15.845 19.174 -7.918 1.00 1.00 H new ATOM 0 H3 GLY A 1 17.445 19.425 -7.407 1.00 1.00 H new ATOM 0 HA2 GLY A 1 16.736 17.043 -8.957 1.00 1.00 H new ATOM 0 HA3 GLY A 1 18.103 17.297 -7.891 1.00 1.00 H new ATOM 8 N SER A 2 15.844 17.583 -5.856 1.00 1.00 N ATOM 9 CA SER A 2 15.014 17.092 -4.740 1.00 1.00 C ATOM 10 C SER A 2 13.704 16.449 -5.214 1.00 1.00 C ATOM 11 O SER A 2 13.326 15.382 -4.733 1.00 1.00 O ATOM 12 CB SER A 2 14.719 18.237 -3.763 1.00 1.00 C ATOM 13 OG SER A 2 14.149 19.349 -4.441 1.00 1.00 O ATOM 0 H SER A 2 16.067 18.576 -5.782 1.00 1.00 H new ATOM 0 HA SER A 2 15.584 16.313 -4.234 1.00 1.00 H new ATOM 0 HB2 SER A 2 14.037 17.891 -2.986 1.00 1.00 H new ATOM 0 HB3 SER A 2 15.640 18.542 -3.266 1.00 1.00 H new ATOM 0 HG SER A 2 13.968 20.066 -3.798 1.00 1.00 H new ATOM 19 N HIS A 3 13.062 17.035 -6.228 1.00 1.00 N ATOM 20 CA HIS A 3 11.888 16.485 -6.913 1.00 1.00 C ATOM 21 C HIS A 3 12.134 15.091 -7.527 1.00 1.00 C ATOM 22 O HIS A 3 11.247 14.237 -7.487 1.00 1.00 O ATOM 23 CB HIS A 3 11.419 17.491 -7.979 1.00 1.00 C ATOM 24 CG HIS A 3 12.490 17.892 -8.971 1.00 1.00 C ATOM 25 ND1 HIS A 3 12.819 17.233 -10.136 1.00 1.00 N ATOM 26 CD2 HIS A 3 13.334 18.966 -8.865 1.00 1.00 C ATOM 27 CE1 HIS A 3 13.843 17.886 -10.712 1.00 1.00 C ATOM 28 NE2 HIS A 3 14.197 18.951 -9.969 1.00 1.00 N ATOM 0 H HIS A 3 13.354 17.935 -6.608 1.00 1.00 H new ATOM 0 HA HIS A 3 11.106 16.335 -6.169 1.00 1.00 H new ATOM 0 HB2 HIS A 3 10.579 17.060 -8.524 1.00 1.00 H new ATOM 0 HB3 HIS A 3 11.050 18.386 -7.479 1.00 1.00 H new ATOM 0 HD2 HIS A 3 13.334 19.697 -8.070 1.00 1.00 H new ATOM 0 HE1 HIS A 3 14.315 17.597 -11.640 1.00 1.00 H new ATOM 0 HE2 HIS A 3 14.945 19.615 -10.170 1.00 1.00 H new ATOM 36 N MET A 4 13.335 14.827 -8.059 1.00 1.00 N ATOM 37 CA MET A 4 13.710 13.518 -8.607 1.00 1.00 C ATOM 38 C MET A 4 13.992 12.494 -7.497 1.00 1.00 C ATOM 39 O MET A 4 13.591 11.335 -7.616 1.00 1.00 O ATOM 40 CB MET A 4 14.920 13.677 -9.545 1.00 1.00 C ATOM 41 CG MET A 4 15.280 12.381 -10.284 1.00 1.00 C ATOM 42 SD MET A 4 13.970 11.713 -11.351 1.00 1.00 S ATOM 43 CE MET A 4 14.783 10.188 -11.901 1.00 1.00 C ATOM 0 H MET A 4 14.079 15.522 -8.121 1.00 1.00 H new ATOM 0 HA MET A 4 12.868 13.131 -9.181 1.00 1.00 H new ATOM 0 HB2 MET A 4 14.707 14.458 -10.275 1.00 1.00 H new ATOM 0 HB3 MET A 4 15.781 14.009 -8.965 1.00 1.00 H new ATOM 0 HG2 MET A 4 16.166 12.562 -10.893 1.00 1.00 H new ATOM 0 HG3 MET A 4 15.549 11.624 -9.548 1.00 1.00 H new ATOM 0 HE1 MET A 4 14.118 9.643 -12.571 1.00 1.00 H new ATOM 0 HE2 MET A 4 15.705 10.436 -12.427 1.00 1.00 H new ATOM 0 HE3 MET A 4 15.015 9.567 -11.036 1.00 1.00 H new ATOM 53 N LEU A 5 14.615 12.912 -6.389 1.00 1.00 N ATOM 54 CA LEU A 5 14.794 12.066 -5.199 1.00 1.00 C ATOM 55 C LEU A 5 13.444 11.673 -4.572 1.00 1.00 C ATOM 56 O LEU A 5 13.233 10.508 -4.240 1.00 1.00 O ATOM 57 CB LEU A 5 15.694 12.779 -4.172 1.00 1.00 C ATOM 58 CG LEU A 5 17.139 13.044 -4.642 1.00 1.00 C ATOM 59 CD1 LEU A 5 17.888 13.838 -3.571 1.00 1.00 C ATOM 60 CD2 LEU A 5 17.917 11.753 -4.907 1.00 1.00 C ATOM 0 H LEU A 5 15.010 13.847 -6.290 1.00 1.00 H new ATOM 0 HA LEU A 5 15.283 11.143 -5.511 1.00 1.00 H new ATOM 0 HB2 LEU A 5 15.234 13.731 -3.908 1.00 1.00 H new ATOM 0 HB3 LEU A 5 15.728 12.178 -3.263 1.00 1.00 H new ATOM 0 HG LEU A 5 17.070 13.601 -5.576 1.00 1.00 H new ATOM 0 HD11 LEU A 5 18.909 14.025 -3.904 1.00 1.00 H new ATOM 0 HD12 LEU A 5 17.382 14.788 -3.402 1.00 1.00 H new ATOM 0 HD13 LEU A 5 17.908 13.267 -2.642 1.00 1.00 H new ATOM 0 HD21 LEU A 5 18.927 11.998 -5.235 1.00 1.00 H new ATOM 0 HD22 LEU A 5 17.966 11.163 -3.992 1.00 1.00 H new ATOM 0 HD23 LEU A 5 17.413 11.177 -5.683 1.00 1.00 H new ATOM 72 N GLU A 6 12.498 12.611 -4.477 1.00 1.00 N ATOM 73 CA GLU A 6 11.118 12.344 -4.041 1.00 1.00 C ATOM 74 C GLU A 6 10.363 11.423 -5.016 1.00 1.00 C ATOM 75 O GLU A 6 9.658 10.512 -4.578 1.00 1.00 O ATOM 76 CB GLU A 6 10.357 13.668 -3.868 1.00 1.00 C ATOM 77 CG GLU A 6 10.820 14.451 -2.632 1.00 1.00 C ATOM 78 CD GLU A 6 10.124 15.816 -2.555 1.00 1.00 C ATOM 79 OE1 GLU A 6 10.622 16.772 -3.198 1.00 1.00 O ATOM 80 OE2 GLU A 6 9.087 15.910 -1.854 1.00 1.00 O ATOM 0 H GLU A 6 12.668 13.591 -4.703 1.00 1.00 H new ATOM 0 HA GLU A 6 11.174 11.824 -3.085 1.00 1.00 H new ATOM 0 HB2 GLU A 6 10.496 14.283 -4.757 1.00 1.00 H new ATOM 0 HB3 GLU A 6 9.290 13.463 -3.786 1.00 1.00 H new ATOM 0 HG2 GLU A 6 10.604 13.877 -1.731 1.00 1.00 H new ATOM 0 HG3 GLU A 6 11.900 14.591 -2.669 1.00 1.00 H new ATOM 87 N SER A 7 10.546 11.600 -6.330 1.00 1.00 N ATOM 88 CA SER A 7 9.978 10.703 -7.351 1.00 1.00 C ATOM 89 C SER A 7 10.544 9.280 -7.253 1.00 1.00 C ATOM 90 O SER A 7 9.797 8.311 -7.375 1.00 1.00 O ATOM 91 CB SER A 7 10.219 11.247 -8.765 1.00 1.00 C ATOM 92 OG SER A 7 9.576 12.498 -8.947 1.00 1.00 O ATOM 0 H SER A 7 11.092 12.369 -6.719 1.00 1.00 H new ATOM 0 HA SER A 7 8.906 10.660 -7.157 1.00 1.00 H new ATOM 0 HB2 SER A 7 11.290 11.356 -8.938 1.00 1.00 H new ATOM 0 HB3 SER A 7 9.848 10.533 -9.501 1.00 1.00 H new ATOM 0 HG SER A 7 10.067 13.192 -8.460 1.00 1.00 H new ATOM 98 N SER A 8 11.844 9.135 -6.976 1.00 1.00 N ATOM 99 CA SER A 8 12.503 7.843 -6.736 1.00 1.00 C ATOM 100 C SER A 8 12.019 7.176 -5.439 1.00 1.00 C ATOM 101 O SER A 8 11.760 5.972 -5.421 1.00 1.00 O ATOM 102 CB SER A 8 14.021 8.050 -6.701 1.00 1.00 C ATOM 103 OG SER A 8 14.700 6.806 -6.640 1.00 1.00 O ATOM 0 H SER A 8 12.482 9.928 -6.911 1.00 1.00 H new ATOM 0 HA SER A 8 12.239 7.170 -7.552 1.00 1.00 H new ATOM 0 HB2 SER A 8 14.338 8.599 -7.588 1.00 1.00 H new ATOM 0 HB3 SER A 8 14.289 8.658 -5.837 1.00 1.00 H new ATOM 0 HG SER A 8 15.667 6.962 -6.620 1.00 1.00 H new ATOM 109 N ALA A 9 11.812 7.947 -4.364 1.00 1.00 N ATOM 110 CA ALA A 9 11.223 7.449 -3.120 1.00 1.00 C ATOM 111 C ALA A 9 9.767 6.974 -3.309 1.00 1.00 C ATOM 112 O ALA A 9 9.396 5.908 -2.818 1.00 1.00 O ATOM 113 CB ALA A 9 11.326 8.546 -2.051 1.00 1.00 C ATOM 0 H ALA A 9 12.050 8.938 -4.335 1.00 1.00 H new ATOM 0 HA ALA A 9 11.781 6.570 -2.795 1.00 1.00 H new ATOM 0 HB1 ALA A 9 10.890 8.187 -1.118 1.00 1.00 H new ATOM 0 HB2 ALA A 9 12.374 8.798 -1.888 1.00 1.00 H new ATOM 0 HB3 ALA A 9 10.787 9.432 -2.386 1.00 1.00 H new ATOM 119 N GLU A 10 8.951 7.716 -4.064 1.00 1.00 N ATOM 120 CA GLU A 10 7.582 7.314 -4.419 1.00 1.00 C ATOM 121 C GLU A 10 7.555 6.074 -5.331 1.00 1.00 C ATOM 122 O GLU A 10 6.739 5.176 -5.135 1.00 1.00 O ATOM 123 CB GLU A 10 6.857 8.505 -5.067 1.00 1.00 C ATOM 124 CG GLU A 10 5.369 8.225 -5.314 1.00 1.00 C ATOM 125 CD GLU A 10 4.660 9.466 -5.871 1.00 1.00 C ATOM 126 OE1 GLU A 10 4.177 10.287 -5.053 1.00 1.00 O ATOM 127 OE2 GLU A 10 4.596 9.601 -7.117 1.00 1.00 O ATOM 0 H GLU A 10 9.222 8.620 -4.450 1.00 1.00 H new ATOM 0 HA GLU A 10 7.060 7.027 -3.506 1.00 1.00 H new ATOM 0 HB2 GLU A 10 6.957 9.380 -4.424 1.00 1.00 H new ATOM 0 HB3 GLU A 10 7.339 8.748 -6.014 1.00 1.00 H new ATOM 0 HG2 GLU A 10 5.263 7.396 -6.014 1.00 1.00 H new ATOM 0 HG3 GLU A 10 4.894 7.918 -4.382 1.00 1.00 H new ATOM 134 N GLU A 11 8.476 5.975 -6.291 1.00 1.00 N ATOM 135 CA GLU A 11 8.655 4.784 -7.131 1.00 1.00 C ATOM 136 C GLU A 11 9.092 3.552 -6.319 1.00 1.00 C ATOM 137 O GLU A 11 8.595 2.448 -6.551 1.00 1.00 O ATOM 138 CB GLU A 11 9.650 5.130 -8.253 1.00 1.00 C ATOM 139 CG GLU A 11 9.972 3.958 -9.183 1.00 1.00 C ATOM 140 CD GLU A 11 10.804 4.424 -10.385 1.00 1.00 C ATOM 141 OE1 GLU A 11 12.048 4.509 -10.245 1.00 1.00 O ATOM 142 OE2 GLU A 11 10.200 4.700 -11.450 1.00 1.00 O ATOM 0 H GLU A 11 9.128 6.728 -6.512 1.00 1.00 H new ATOM 0 HA GLU A 11 7.697 4.505 -7.570 1.00 1.00 H new ATOM 0 HB2 GLU A 11 9.243 5.949 -8.846 1.00 1.00 H new ATOM 0 HB3 GLU A 11 10.576 5.490 -7.805 1.00 1.00 H new ATOM 0 HG2 GLU A 11 10.518 3.192 -8.633 1.00 1.00 H new ATOM 0 HG3 GLU A 11 9.046 3.501 -9.532 1.00 1.00 H new ATOM 149 N SER A 12 9.956 3.736 -5.318 1.00 1.00 N ATOM 150 CA SER A 12 10.326 2.679 -4.370 1.00 1.00 C ATOM 151 C SER A 12 9.128 2.243 -3.520 1.00 1.00 C ATOM 152 O SER A 12 8.892 1.047 -3.351 1.00 1.00 O ATOM 153 CB SER A 12 11.485 3.153 -3.484 1.00 1.00 C ATOM 154 OG SER A 12 11.945 2.099 -2.653 1.00 1.00 O ATOM 0 H SER A 12 10.422 4.626 -5.140 1.00 1.00 H new ATOM 0 HA SER A 12 10.652 1.808 -4.939 1.00 1.00 H new ATOM 0 HB2 SER A 12 12.302 3.514 -4.108 1.00 1.00 H new ATOM 0 HB3 SER A 12 11.160 3.992 -2.869 1.00 1.00 H new ATOM 0 HG SER A 12 12.685 2.420 -2.097 1.00 1.00 H new ATOM 160 N LEU A 13 8.299 3.190 -3.067 1.00 1.00 N ATOM 161 CA LEU A 13 7.060 2.890 -2.343 1.00 1.00 C ATOM 162 C LEU A 13 6.087 2.100 -3.226 1.00 1.00 C ATOM 163 O LEU A 13 5.546 1.092 -2.778 1.00 1.00 O ATOM 164 CB LEU A 13 6.469 4.208 -1.802 1.00 1.00 C ATOM 165 CG LEU A 13 5.253 4.061 -0.863 1.00 1.00 C ATOM 166 CD1 LEU A 13 5.078 5.357 -0.069 1.00 1.00 C ATOM 167 CD2 LEU A 13 3.932 3.812 -1.601 1.00 1.00 C ATOM 0 H LEU A 13 8.469 4.188 -3.193 1.00 1.00 H new ATOM 0 HA LEU A 13 7.265 2.244 -1.489 1.00 1.00 H new ATOM 0 HB2 LEU A 13 7.254 4.745 -1.269 1.00 1.00 H new ATOM 0 HB3 LEU A 13 6.178 4.829 -2.649 1.00 1.00 H new ATOM 0 HG LEU A 13 5.461 3.197 -0.231 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.221 5.262 0.597 1.00 1.00 H new ATOM 0 HD12 LEU A 13 5.976 5.547 0.519 1.00 1.00 H new ATOM 0 HD13 LEU A 13 4.913 6.186 -0.757 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.123 3.719 -0.877 1.00 1.00 H new ATOM 0 HD22 LEU A 13 3.726 4.647 -2.270 1.00 1.00 H new ATOM 0 HD23 LEU A 13 4.007 2.892 -2.181 1.00 1.00 H new ATOM 179 N ALA A 14 5.912 2.488 -4.492 1.00 1.00 N ATOM 180 CA ALA A 14 5.079 1.758 -5.448 1.00 1.00 C ATOM 181 C ALA A 14 5.582 0.318 -5.685 1.00 1.00 C ATOM 182 O ALA A 14 4.777 -0.608 -5.792 1.00 1.00 O ATOM 183 CB ALA A 14 4.999 2.559 -6.752 1.00 1.00 C ATOM 0 H ALA A 14 6.348 3.323 -4.884 1.00 1.00 H new ATOM 0 HA ALA A 14 4.077 1.653 -5.031 1.00 1.00 H new ATOM 0 HB1 ALA A 14 4.380 2.023 -7.471 1.00 1.00 H new ATOM 0 HB2 ALA A 14 4.559 3.536 -6.552 1.00 1.00 H new ATOM 0 HB3 ALA A 14 6.001 2.689 -7.161 1.00 1.00 H new ATOM 189 N TYR A 15 6.903 0.108 -5.706 1.00 1.00 N ATOM 190 CA TYR A 15 7.511 -1.226 -5.786 1.00 1.00 C ATOM 191 C TYR A 15 7.247 -2.073 -4.525 1.00 1.00 C ATOM 192 O TYR A 15 6.861 -3.240 -4.639 1.00 1.00 O ATOM 193 CB TYR A 15 9.014 -1.091 -6.067 1.00 1.00 C ATOM 194 CG TYR A 15 9.704 -2.427 -6.258 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.494 -3.154 -7.446 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.518 -2.960 -5.239 1.00 1.00 C ATOM 197 CE1 TYR A 15 10.093 -4.417 -7.616 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.122 -4.221 -5.408 1.00 1.00 C ATOM 199 CZ TYR A 15 10.911 -4.955 -6.597 1.00 1.00 C ATOM 200 OH TYR A 15 11.496 -6.175 -6.750 1.00 1.00 O ATOM 0 H TYR A 15 7.586 0.865 -5.668 1.00 1.00 H new ATOM 0 HA TYR A 15 7.040 -1.761 -6.611 1.00 1.00 H new ATOM 0 HB2 TYR A 15 9.158 -0.483 -6.960 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.486 -0.560 -5.241 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.873 -2.742 -8.228 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.679 -2.402 -4.329 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.927 -4.975 -8.526 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.748 -4.628 -4.627 1.00 1.00 H new ATOM 0 HH TYR A 15 12.024 -6.387 -5.952 1.00 1.00 H new ATOM 210 N ARG A 16 7.375 -1.489 -3.320 1.00 1.00 N ATOM 211 CA ARG A 16 6.992 -2.148 -2.053 1.00 1.00 C ATOM 212 C ARG A 16 5.500 -2.469 -1.993 1.00 1.00 C ATOM 213 O ARG A 16 5.123 -3.545 -1.538 1.00 1.00 O ATOM 214 CB ARG A 16 7.364 -1.281 -0.836 1.00 1.00 C ATOM 215 CG ARG A 16 8.877 -1.086 -0.655 1.00 1.00 C ATOM 216 CD ARG A 16 9.224 -0.448 0.698 1.00 1.00 C ATOM 217 NE ARG A 16 8.473 0.792 0.977 1.00 1.00 N ATOM 218 CZ ARG A 16 8.853 2.029 0.698 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.914 2.310 -0.010 1.00 1.00 N ATOM 220 NH2 ARG A 16 8.151 3.039 1.132 1.00 1.00 N ATOM 0 H ARG A 16 7.746 -0.547 -3.194 1.00 1.00 H new ATOM 0 HA ARG A 16 7.550 -3.084 -2.021 1.00 1.00 H new ATOM 0 HB2 ARG A 16 6.891 -0.305 -0.939 1.00 1.00 H new ATOM 0 HB3 ARG A 16 6.956 -1.740 0.064 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.378 -2.050 -0.739 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.259 -0.457 -1.459 1.00 1.00 H new ATOM 0 HD2 ARG A 16 9.026 -1.169 1.491 1.00 1.00 H new ATOM 0 HD3 ARG A 16 10.292 -0.230 0.724 1.00 1.00 H new ATOM 0 HE ARG A 16 7.567 0.684 1.432 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.496 1.557 -0.378 1.00 1.00 H new ATOM 0 HH12 ARG A 16 10.161 3.282 -0.195 1.00 1.00 H new ATOM 0 HH21 ARG A 16 7.310 2.875 1.686 1.00 1.00 H new ATOM 0 HH22 ARG A 16 8.443 3.993 0.918 1.00 1.00 H new ATOM 234 N GLU A 17 4.652 -1.564 -2.477 1.00 1.00 N ATOM 235 CA GLU A 17 3.206 -1.769 -2.562 1.00 1.00 C ATOM 236 C GLU A 17 2.856 -2.908 -3.525 1.00 1.00 C ATOM 237 O GLU A 17 2.025 -3.742 -3.193 1.00 1.00 O ATOM 238 CB GLU A 17 2.523 -0.452 -2.961 1.00 1.00 C ATOM 239 CG GLU A 17 1.008 -0.488 -2.730 1.00 1.00 C ATOM 240 CD GLU A 17 0.367 0.824 -3.182 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.025 0.931 -4.383 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.221 1.727 -2.326 1.00 1.00 O ATOM 0 H GLU A 17 4.953 -0.654 -2.826 1.00 1.00 H new ATOM 0 HA GLU A 17 2.834 -2.069 -1.582 1.00 1.00 H new ATOM 0 HB2 GLU A 17 2.956 0.367 -2.387 1.00 1.00 H new ATOM 0 HB3 GLU A 17 2.723 -0.246 -4.012 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.570 -1.322 -3.279 1.00 1.00 H new ATOM 0 HG3 GLU A 17 0.799 -0.657 -1.674 1.00 1.00 H new ATOM 249 N ASP A 18 3.526 -3.019 -4.676 1.00 1.00 N ATOM 250 CA ASP A 18 3.307 -4.119 -5.623 1.00 1.00 C ATOM 251 C ASP A 18 3.682 -5.504 -5.058 1.00 1.00 C ATOM 252 O ASP A 18 3.095 -6.504 -5.466 1.00 1.00 O ATOM 253 CB ASP A 18 4.054 -3.831 -6.930 1.00 1.00 C ATOM 254 CG ASP A 18 3.629 -4.803 -8.033 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.421 -4.793 -8.373 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.503 -5.542 -8.544 1.00 1.00 O ATOM 0 H ASP A 18 4.235 -2.350 -4.978 1.00 1.00 H new ATOM 0 HA ASP A 18 2.235 -4.167 -5.816 1.00 1.00 H new ATOM 0 HB2 ASP A 18 3.857 -2.807 -7.247 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.128 -3.912 -6.764 1.00 1.00 H new ATOM 261 N ASP A 19 4.593 -5.591 -4.080 1.00 1.00 N ATOM 262 CA ASP A 19 4.844 -6.842 -3.342 1.00 1.00 C ATOM 263 C ASP A 19 3.610 -7.307 -2.539 1.00 1.00 C ATOM 264 O ASP A 19 3.390 -8.510 -2.371 1.00 1.00 O ATOM 265 CB ASP A 19 6.068 -6.694 -2.429 1.00 1.00 C ATOM 266 CG ASP A 19 6.461 -8.033 -1.794 1.00 1.00 C ATOM 267 OD1 ASP A 19 7.072 -8.862 -2.510 1.00 1.00 O ATOM 268 OD2 ASP A 19 6.155 -8.228 -0.594 1.00 1.00 O ATOM 0 H ASP A 19 5.172 -4.808 -3.778 1.00 1.00 H new ATOM 0 HA ASP A 19 5.050 -7.616 -4.081 1.00 1.00 H new ATOM 0 HB2 ASP A 19 6.907 -6.303 -3.004 1.00 1.00 H new ATOM 0 HB3 ASP A 19 5.853 -5.968 -1.645 1.00 1.00 H new ATOM 273 N LEU A 20 2.773 -6.370 -2.073 1.00 1.00 N ATOM 274 CA LEU A 20 1.523 -6.659 -1.359 1.00 1.00 C ATOM 275 C LEU A 20 0.471 -7.361 -2.246 1.00 1.00 C ATOM 276 O LEU A 20 -0.491 -7.920 -1.723 1.00 1.00 O ATOM 277 CB LEU A 20 0.941 -5.382 -0.719 1.00 1.00 C ATOM 278 CG LEU A 20 1.934 -4.473 0.031 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.209 -3.245 0.583 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.655 -5.172 1.183 1.00 1.00 C ATOM 0 H LEU A 20 2.950 -5.372 -2.184 1.00 1.00 H new ATOM 0 HA LEU A 20 1.778 -7.361 -0.565 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.466 -4.793 -1.504 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.156 -5.677 -0.023 1.00 1.00 H new ATOM 0 HG LEU A 20 2.689 -4.188 -0.702 1.00 1.00 H new ATOM 0 HD11 LEU A 20 1.920 -2.610 1.111 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.763 -2.685 -0.239 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.426 -3.564 1.271 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.337 -4.471 1.664 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.923 -5.523 1.910 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.220 -6.021 0.797 1.00 1.00 H new ATOM 292 N ARG A 21 0.665 -7.408 -3.576 1.00 1.00 N ATOM 293 CA ARG A 21 -0.148 -8.210 -4.521 1.00 1.00 C ATOM 294 C ARG A 21 -0.059 -9.730 -4.269 1.00 1.00 C ATOM 295 O ARG A 21 -0.855 -10.498 -4.805 1.00 1.00 O ATOM 296 CB ARG A 21 0.259 -7.866 -5.969 1.00 1.00 C ATOM 297 CG ARG A 21 -0.864 -8.127 -6.985 1.00 1.00 C ATOM 298 CD ARG A 21 -0.361 -8.121 -8.434 1.00 1.00 C ATOM 299 NE ARG A 21 0.064 -6.779 -8.875 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.204 -6.211 -10.038 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.894 -6.801 -10.978 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.216 -5.003 -10.280 1.00 1.00 N ATOM 0 H ARG A 21 1.405 -6.880 -4.038 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.192 -7.945 -4.356 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.551 -6.817 -6.019 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.135 -8.454 -6.244 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.328 -9.090 -6.769 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.637 -7.368 -6.869 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.475 -8.814 -8.528 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.151 -8.484 -9.092 1.00 1.00 H new ATOM 0 HE ARG A 21 0.621 -6.235 -8.216 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.253 -7.744 -10.831 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.073 -6.318 -11.858 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.750 -4.498 -9.573 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.011 -4.562 -11.176 1.00 1.00 H new ATOM 316 N GLY A 22 0.883 -10.177 -3.435 1.00 1.00 N ATOM 317 CA GLY A 22 0.980 -11.558 -2.946 1.00 1.00 C ATOM 318 C GLY A 22 0.448 -11.751 -1.520 1.00 1.00 C ATOM 319 O GLY A 22 0.795 -12.746 -0.880 1.00 1.00 O ATOM 0 H GLY A 22 1.620 -9.574 -3.070 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.428 -12.212 -3.621 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.023 -11.873 -2.980 1.00 1.00 H new ATOM 323 N ARG A 23 -0.355 -10.806 -0.997 1.00 1.00 N ATOM 324 CA ARG A 23 -0.786 -10.756 0.412 1.00 1.00 C ATOM 325 C ARG A 23 -2.295 -10.549 0.586 1.00 1.00 C ATOM 326 O ARG A 23 -3.003 -10.042 -0.286 1.00 1.00 O ATOM 327 CB ARG A 23 -0.019 -9.658 1.168 1.00 1.00 C ATOM 328 CG ARG A 23 1.505 -9.801 1.079 1.00 1.00 C ATOM 329 CD ARG A 23 2.140 -8.845 2.087 1.00 1.00 C ATOM 330 NE ARG A 23 3.580 -8.660 1.837 1.00 1.00 N ATOM 331 CZ ARG A 23 4.450 -8.105 2.665 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.130 -7.713 3.872 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.685 -7.923 2.290 1.00 1.00 N ATOM 0 H ARG A 23 -0.730 -10.039 -1.555 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.554 -11.734 0.833 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.308 -8.685 0.770 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.316 -9.675 2.216 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.802 -10.828 1.291 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.849 -9.572 0.070 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.636 -7.880 2.039 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.993 -9.231 3.096 1.00 1.00 H new ATOM 0 HE ARG A 23 3.940 -8.991 0.942 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.175 -7.831 4.210 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.836 -7.290 4.475 1.00 1.00 H new ATOM 0 HH21 ARG A 23 5.982 -8.209 1.357 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.354 -7.495 2.930 1.00 1.00 H new ATOM 347 N LEU A 24 -2.758 -10.937 1.771 1.00 1.00 N ATOM 348 CA LEU A 24 -4.143 -10.872 2.239 1.00 1.00 C ATOM 349 C LEU A 24 -4.345 -9.594 3.076 1.00 1.00 C ATOM 350 O LEU A 24 -3.425 -9.113 3.742 1.00 1.00 O ATOM 351 CB LEU A 24 -4.368 -12.151 3.076 1.00 1.00 C ATOM 352 CG LEU A 24 -5.829 -12.598 3.243 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.383 -13.185 1.944 1.00 1.00 C ATOM 354 CD2 LEU A 24 -5.903 -13.706 4.296 1.00 1.00 C ATOM 0 H LEU A 24 -2.137 -11.331 2.477 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.860 -10.826 1.420 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.810 -12.966 2.615 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -3.942 -11.993 4.067 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.408 -11.721 3.533 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.418 -13.492 2.096 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.339 -12.432 1.157 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.787 -14.050 1.653 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -6.938 -14.025 4.416 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.297 -14.554 3.976 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.526 -13.330 5.247 1.00 1.00 H new ATOM 366 N GLY A 25 -5.559 -9.058 3.062 1.00 1.00 N ATOM 367 CA GLY A 25 -5.943 -7.787 3.670 1.00 1.00 C ATOM 368 C GLY A 25 -7.354 -7.781 4.262 1.00 1.00 C ATOM 369 O GLY A 25 -8.032 -8.807 4.335 1.00 1.00 O ATOM 0 H GLY A 25 -6.344 -9.521 2.603 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.229 -7.542 4.456 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.872 -7.001 2.919 1.00 1.00 H new ATOM 373 N LYS A 26 -7.782 -6.592 4.688 1.00 1.00 N ATOM 374 CA LYS A 26 -8.977 -6.300 5.475 1.00 1.00 C ATOM 375 C LYS A 26 -9.551 -4.954 5.044 1.00 1.00 C ATOM 376 O LYS A 26 -8.871 -3.931 5.123 1.00 1.00 O ATOM 377 CB LYS A 26 -8.539 -6.284 6.950 1.00 1.00 C ATOM 378 CG LYS A 26 -9.647 -6.001 7.978 1.00 1.00 C ATOM 379 CD LYS A 26 -10.874 -6.923 7.884 1.00 1.00 C ATOM 380 CE LYS A 26 -10.548 -8.425 7.816 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.813 -8.894 9.008 1.00 1.00 N ATOM 0 H LYS A 26 -7.260 -5.742 4.474 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.759 -7.045 5.327 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.090 -7.249 7.186 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.759 -5.532 7.069 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.223 -6.086 8.979 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.977 -4.969 7.859 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.513 -6.743 8.748 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.449 -6.650 6.999 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -11.474 -8.991 7.717 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.955 -8.626 6.924 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -8.820 -9.074 8.755 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -9.855 -8.167 9.750 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -10.245 -9.772 9.359 1.00 1.00 H new ATOM 395 N VAL A 27 -10.778 -4.964 4.536 1.00 1.00 N ATOM 396 CA VAL A 27 -11.485 -3.746 4.093 1.00 1.00 C ATOM 397 C VAL A 27 -11.937 -2.916 5.302 1.00 1.00 C ATOM 398 O VAL A 27 -12.603 -3.438 6.195 1.00 1.00 O ATOM 399 CB VAL A 27 -12.654 -4.099 3.143 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.514 -2.894 2.760 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.053 -4.668 1.854 1.00 1.00 C ATOM 0 H VAL A 27 -11.322 -5.818 4.415 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.795 -3.127 3.520 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.296 -4.806 3.667 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.314 -3.215 2.093 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -13.946 -2.455 3.659 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.896 -2.152 2.255 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.855 -4.927 1.162 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.404 -3.922 1.395 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.472 -5.560 2.086 1.00 1.00 H new ATOM 411 N ILE A 28 -11.598 -1.620 5.313 1.00 1.00 N ATOM 412 CA ILE A 28 -11.909 -0.664 6.401 1.00 1.00 C ATOM 413 C ILE A 28 -12.785 0.523 5.947 1.00 1.00 C ATOM 414 O ILE A 28 -13.127 1.398 6.742 1.00 1.00 O ATOM 415 CB ILE A 28 -10.648 -0.193 7.168 1.00 1.00 C ATOM 416 CG1 ILE A 28 -9.667 0.664 6.331 1.00 1.00 C ATOM 417 CG2 ILE A 28 -9.971 -1.378 7.880 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.587 -0.104 5.568 1.00 1.00 C ATOM 0 H ILE A 28 -11.084 -1.188 4.545 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.514 -1.231 7.108 1.00 1.00 H new ATOM 0 HB ILE A 28 -10.994 0.502 7.933 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.246 1.246 5.614 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -9.177 1.374 6.997 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.088 -1.026 8.413 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.669 -1.823 8.589 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.676 -2.125 7.143 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -7.960 0.599 5.019 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -7.973 -0.664 6.273 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -9.057 -0.794 4.868 1.00 1.00 H new ATOM 430 N THR A 29 -13.163 0.565 4.669 1.00 1.00 N ATOM 431 CA THR A 29 -14.177 1.467 4.086 1.00 1.00 C ATOM 432 C THR A 29 -14.779 0.713 2.904 1.00 1.00 C ATOM 433 O THR A 29 -14.026 0.207 2.075 1.00 1.00 O ATOM 434 CB THR A 29 -13.590 2.812 3.622 1.00 1.00 C ATOM 435 OG1 THR A 29 -12.975 3.493 4.694 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.647 3.758 3.050 1.00 1.00 C ATOM 0 H THR A 29 -12.755 -0.057 3.971 1.00 1.00 H new ATOM 0 HA THR A 29 -14.922 1.722 4.840 1.00 1.00 H new ATOM 0 HB THR A 29 -12.870 2.555 2.845 1.00 1.00 H new ATOM 0 HG1 THR A 29 -13.076 2.969 5.516 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.173 4.689 2.740 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.126 3.291 2.189 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.397 3.969 3.812 1.00 1.00 H new ATOM 444 N ALA A 30 -16.107 0.585 2.848 1.00 1.00 N ATOM 445 CA ALA A 30 -16.808 -0.288 1.905 1.00 1.00 C ATOM 446 C ALA A 30 -16.451 -0.027 0.428 1.00 1.00 C ATOM 447 O ALA A 30 -16.353 1.119 -0.015 1.00 1.00 O ATOM 448 CB ALA A 30 -18.317 -0.161 2.147 1.00 1.00 C ATOM 0 H ALA A 30 -16.736 1.095 3.468 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.479 -1.310 2.093 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.853 -0.806 1.451 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.548 -0.459 3.170 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.624 0.873 1.993 1.00 1.00 H new ATOM 454 N VAL A 31 -16.310 -1.112 -0.337 1.00 1.00 N ATOM 455 CA VAL A 31 -15.861 -1.141 -1.738 1.00 1.00 C ATOM 456 C VAL A 31 -16.969 -1.775 -2.595 1.00 1.00 C ATOM 457 O VAL A 31 -17.061 -3.003 -2.652 1.00 1.00 O ATOM 458 CB VAL A 31 -14.543 -1.939 -1.877 1.00 1.00 C ATOM 459 CG1 VAL A 31 -14.037 -1.910 -3.318 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.401 -1.433 -0.990 1.00 1.00 C ATOM 0 H VAL A 31 -16.516 -2.045 0.020 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.666 -0.124 -2.079 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.805 -2.947 -1.557 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.109 -2.478 -3.389 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.785 -2.353 -3.975 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.855 -0.878 -3.619 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.516 -2.048 -1.150 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.174 -0.398 -1.244 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.700 -1.492 0.057 1.00 1.00 H new ATOM 470 N PRO A 32 -17.866 -0.989 -3.219 1.00 1.00 N ATOM 471 CA PRO A 32 -18.961 -1.535 -4.020 1.00 1.00 C ATOM 472 C PRO A 32 -18.496 -2.065 -5.389 1.00 1.00 C ATOM 473 O PRO A 32 -17.350 -1.871 -5.799 1.00 1.00 O ATOM 474 CB PRO A 32 -19.978 -0.396 -4.134 1.00 1.00 C ATOM 475 CG PRO A 32 -19.088 0.834 -4.126 1.00 1.00 C ATOM 476 CD PRO A 32 -17.959 0.462 -3.163 1.00 1.00 C ATOM 0 HA PRO A 32 -19.400 -2.414 -3.547 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.566 -0.466 -5.049 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.682 -0.394 -3.302 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.706 1.058 -5.122 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.629 1.717 -3.786 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -17.019 0.928 -3.460 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.177 0.803 -2.151 1.00 1.00 H new ATOM 484 N VAL A 33 -19.421 -2.711 -6.111 1.00 1.00 N ATOM 485 CA VAL A 33 -19.169 -3.473 -7.356 1.00 1.00 C ATOM 486 C VAL A 33 -18.491 -2.683 -8.484 1.00 1.00 C ATOM 487 O VAL A 33 -17.905 -3.280 -9.384 1.00 1.00 O ATOM 488 CB VAL A 33 -20.469 -4.107 -7.907 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.244 -4.897 -6.845 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.426 -3.081 -8.528 1.00 1.00 C ATOM 0 H VAL A 33 -20.404 -2.722 -5.840 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.463 -4.243 -7.045 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.120 -4.787 -8.684 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.145 -5.318 -7.290 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.618 -5.703 -6.462 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.520 -4.232 -6.026 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.317 -3.590 -8.895 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.712 -2.347 -7.774 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -20.930 -2.576 -9.357 1.00 1.00 H new ATOM 500 N ASP A 34 -18.586 -1.354 -8.459 1.00 1.00 N ATOM 501 CA ASP A 34 -18.082 -0.425 -9.480 1.00 1.00 C ATOM 502 C ASP A 34 -17.519 0.874 -8.859 1.00 1.00 C ATOM 503 O ASP A 34 -17.504 1.925 -9.505 1.00 1.00 O ATOM 504 CB ASP A 34 -19.200 -0.146 -10.508 1.00 1.00 C ATOM 505 CG ASP A 34 -20.322 0.775 -9.996 1.00 1.00 C ATOM 506 OD1 ASP A 34 -20.727 0.638 -8.816 1.00 1.00 O ATOM 507 OD2 ASP A 34 -20.797 1.614 -10.800 1.00 1.00 O ATOM 0 H ASP A 34 -19.040 -0.867 -7.686 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.241 -0.890 -9.995 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -18.756 0.303 -11.396 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.638 -1.095 -10.816 1.00 1.00 H new ATOM 512 N GLY A 35 -17.097 0.817 -7.589 1.00 1.00 N ATOM 513 CA GLY A 35 -16.699 1.983 -6.786 1.00 1.00 C ATOM 514 C GLY A 35 -15.446 1.768 -5.932 1.00 1.00 C ATOM 515 O GLY A 35 -14.692 0.811 -6.133 1.00 1.00 O ATOM 0 H GLY A 35 -17.021 -0.062 -7.078 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.528 2.827 -7.454 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.527 2.257 -6.132 1.00 1.00 H new ATOM 519 N PHE A 36 -15.236 2.669 -4.967 1.00 1.00 N ATOM 520 CA PHE A 36 -14.001 2.783 -4.183 1.00 1.00 C ATOM 521 C PHE A 36 -14.264 2.804 -2.668 1.00 1.00 C ATOM 522 O PHE A 36 -15.247 3.379 -2.196 1.00 1.00 O ATOM 523 CB PHE A 36 -13.231 4.062 -4.563 1.00 1.00 C ATOM 524 CG PHE A 36 -12.925 4.276 -6.037 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.924 4.756 -6.908 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.625 4.052 -6.532 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.640 4.963 -8.268 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.338 4.269 -7.891 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.347 4.717 -8.762 1.00 1.00 C ATOM 0 H PHE A 36 -15.940 3.358 -4.702 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.409 1.899 -4.419 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.804 4.919 -4.209 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.287 4.063 -4.018 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.913 4.966 -6.528 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.846 3.712 -5.865 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.415 5.311 -8.934 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.341 4.091 -8.267 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.129 4.872 -9.808 1.00 1.00 H new ATOM 539 N GLY A 37 -13.333 2.214 -1.920 1.00 1.00 N ATOM 540 CA GLY A 37 -13.248 2.214 -0.455 1.00 1.00 C ATOM 541 C GLY A 37 -11.789 2.103 -0.007 1.00 1.00 C ATOM 542 O GLY A 37 -10.913 2.707 -0.628 1.00 1.00 O ATOM 0 H GLY A 37 -12.568 1.689 -2.345 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.689 3.129 -0.059 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.824 1.382 -0.051 1.00 1.00 H new ATOM 546 N GLU A 38 -11.502 1.347 1.054 1.00 1.00 N ATOM 547 CA GLU A 38 -10.156 1.235 1.649 1.00 1.00 C ATOM 548 C GLU A 38 -9.836 -0.180 2.144 1.00 1.00 C ATOM 549 O GLU A 38 -10.712 -0.882 2.648 1.00 1.00 O ATOM 550 CB GLU A 38 -10.015 2.180 2.855 1.00 1.00 C ATOM 551 CG GLU A 38 -9.961 3.666 2.493 1.00 1.00 C ATOM 552 CD GLU A 38 -9.825 4.579 3.724 1.00 1.00 C ATOM 553 OE1 GLU A 38 -9.116 4.195 4.686 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.398 5.694 3.688 1.00 1.00 O ATOM 0 H GLU A 38 -12.203 0.785 1.536 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.462 1.499 0.851 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.854 2.014 3.531 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.109 1.919 3.401 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -9.119 3.841 1.823 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.865 3.934 1.946 1.00 1.00 H new ATOM 561 N VAL A 39 -8.553 -0.552 2.097 1.00 1.00 N ATOM 562 CA VAL A 39 -8.006 -1.832 2.575 1.00 1.00 C ATOM 563 C VAL A 39 -6.679 -1.628 3.325 1.00 1.00 C ATOM 564 O VAL A 39 -5.933 -0.688 3.055 1.00 1.00 O ATOM 565 CB VAL A 39 -7.856 -2.813 1.390 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.659 -2.494 0.488 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.767 -4.271 1.845 1.00 1.00 C ATOM 0 H VAL A 39 -7.833 0.056 1.708 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.703 -2.268 3.291 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.767 -2.678 0.807 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.611 -3.220 -0.324 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.773 -1.493 0.073 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.740 -2.542 1.072 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.663 -4.918 0.974 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.902 -4.397 2.496 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.673 -4.538 2.389 1.00 1.00 H new ATOM 577 N VAL A 40 -6.374 -2.532 4.254 1.00 1.00 N ATOM 578 CA VAL A 40 -5.082 -2.679 4.954 1.00 1.00 C ATOM 579 C VAL A 40 -4.661 -4.148 4.900 1.00 1.00 C ATOM 580 O VAL A 40 -5.515 -5.029 4.893 1.00 1.00 O ATOM 581 CB VAL A 40 -5.151 -2.154 6.407 1.00 1.00 C ATOM 582 CG1 VAL A 40 -6.183 -2.879 7.279 1.00 1.00 C ATOM 583 CG2 VAL A 40 -3.791 -2.161 7.105 1.00 1.00 C ATOM 0 H VAL A 40 -7.056 -3.225 4.562 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.330 -2.070 4.452 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.481 -1.121 6.299 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -6.173 -2.455 8.283 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -7.175 -2.759 6.844 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -5.936 -3.939 7.330 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -3.902 -1.782 8.121 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -3.404 -3.179 7.137 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -3.096 -1.526 6.555 1.00 1.00 H new ATOM 593 N ILE A 41 -3.362 -4.436 4.825 1.00 1.00 N ATOM 594 CA ILE A 41 -2.849 -5.819 4.844 1.00 1.00 C ATOM 595 C ILE A 41 -3.015 -6.416 6.255 1.00 1.00 C ATOM 596 O ILE A 41 -3.067 -5.686 7.241 1.00 1.00 O ATOM 597 CB ILE A 41 -1.388 -5.821 4.336 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.321 -5.404 2.849 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.634 -7.150 4.529 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.149 -6.240 1.863 1.00 1.00 C ATOM 0 H ILE A 41 -2.633 -3.726 4.750 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.420 -6.460 4.173 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.879 -5.090 4.964 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.645 -4.366 2.771 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.279 -5.437 2.532 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.380 -7.052 4.142 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.596 -7.396 5.590 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.152 -7.944 3.991 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.018 -5.848 0.854 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.815 -7.277 1.896 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.202 -6.189 2.138 1.00 1.00 H new ATOM 612 N GLU A 42 -3.133 -7.744 6.362 1.00 1.00 N ATOM 613 CA GLU A 42 -3.499 -8.451 7.611 1.00 1.00 C ATOM 614 C GLU A 42 -2.602 -8.150 8.834 1.00 1.00 C ATOM 615 O GLU A 42 -3.030 -8.349 9.972 1.00 1.00 O ATOM 616 CB GLU A 42 -3.580 -9.966 7.353 1.00 1.00 C ATOM 617 CG GLU A 42 -4.881 -10.390 6.653 1.00 1.00 C ATOM 618 CD GLU A 42 -6.074 -10.433 7.618 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.690 -9.364 7.840 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.368 -11.535 8.140 1.00 1.00 O ATOM 0 H GLU A 42 -2.976 -8.374 5.576 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.477 -8.057 7.889 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.730 -10.270 6.742 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.496 -10.495 8.302 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.098 -9.695 5.842 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.745 -11.373 6.203 1.00 1.00 H new ATOM 627 N GLY A 43 -1.396 -7.613 8.629 1.00 1.00 N ATOM 628 CA GLY A 43 -0.523 -7.063 9.675 1.00 1.00 C ATOM 629 C GLY A 43 -0.965 -5.664 10.131 1.00 1.00 C ATOM 630 O GLY A 43 -0.135 -4.759 10.203 1.00 1.00 O ATOM 0 H GLY A 43 -0.984 -7.546 7.698 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -0.518 -7.737 10.532 1.00 1.00 H new ATOM 0 HA3 GLY A 43 0.500 -7.014 9.302 1.00 1.00 H new ATOM 634 N ILE A 44 -2.264 -5.460 10.388 1.00 1.00 N ATOM 635 CA ILE A 44 -2.945 -4.165 10.630 1.00 1.00 C ATOM 636 C ILE A 44 -2.258 -3.204 11.626 1.00 1.00 C ATOM 637 O ILE A 44 -2.428 -1.989 11.523 1.00 1.00 O ATOM 638 CB ILE A 44 -4.433 -4.375 11.011 1.00 1.00 C ATOM 639 CG1 ILE A 44 -4.708 -4.812 12.468 1.00 1.00 C ATOM 640 CG2 ILE A 44 -5.158 -5.296 10.013 1.00 1.00 C ATOM 641 CD1 ILE A 44 -4.116 -6.156 12.904 1.00 1.00 C ATOM 0 H ILE A 44 -2.917 -6.242 10.437 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.871 -3.654 9.670 1.00 1.00 H new ATOM 0 HB ILE A 44 -4.852 -3.371 10.946 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -4.325 -4.039 13.134 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -5.787 -4.852 12.614 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -6.198 -5.416 10.318 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -5.120 -4.855 9.017 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.670 -6.270 9.996 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -4.378 -6.349 13.944 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -4.517 -6.951 12.275 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -3.031 -6.126 12.803 1.00 1.00 H new ATOM 653 N GLY A 45 -1.475 -3.727 12.582 1.00 1.00 N ATOM 654 CA GLY A 45 -0.740 -2.955 13.597 1.00 1.00 C ATOM 655 C GLY A 45 0.666 -2.488 13.176 1.00 1.00 C ATOM 656 O GLY A 45 1.314 -1.753 13.924 1.00 1.00 O ATOM 0 H GLY A 45 -1.331 -4.733 12.673 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -1.332 -2.079 13.863 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -0.649 -3.563 14.497 1.00 1.00 H new ATOM 660 N GLY A 46 1.146 -2.904 11.997 1.00 1.00 N ATOM 661 CA GLY A 46 2.487 -2.622 11.459 1.00 1.00 C ATOM 662 C GLY A 46 2.506 -2.410 9.937 1.00 1.00 C ATOM 663 O GLY A 46 3.508 -2.698 9.278 1.00 1.00 O ATOM 0 H GLY A 46 0.586 -3.472 11.362 1.00 1.00 H new ATOM 0 HA2 GLY A 46 2.885 -1.732 11.947 1.00 1.00 H new ATOM 0 HA3 GLY A 46 3.152 -3.448 11.711 1.00 1.00 H new ATOM 667 N THR A 47 1.394 -1.924 9.379 1.00 1.00 N ATOM 668 CA THR A 47 1.142 -1.687 7.943 1.00 1.00 C ATOM 669 C THR A 47 0.442 -0.332 7.729 1.00 1.00 C ATOM 670 O THR A 47 0.157 0.392 8.689 1.00 1.00 O ATOM 671 CB THR A 47 0.286 -2.822 7.345 1.00 1.00 C ATOM 672 OG1 THR A 47 -0.844 -3.059 8.141 1.00 1.00 O ATOM 673 CG2 THR A 47 1.045 -4.143 7.204 1.00 1.00 C ATOM 0 H THR A 47 0.589 -1.667 9.950 1.00 1.00 H new ATOM 0 HA THR A 47 2.105 -1.668 7.432 1.00 1.00 H new ATOM 0 HB THR A 47 0.003 -2.480 6.349 1.00 1.00 H new ATOM 0 HG1 THR A 47 -0.583 -3.570 8.936 1.00 1.00 H new ATOM 0 HG21 THR A 47 0.385 -4.898 6.777 1.00 1.00 H new ATOM 0 HG22 THR A 47 1.905 -4.001 6.549 1.00 1.00 H new ATOM 0 HG23 THR A 47 1.387 -4.473 8.185 1.00 1.00 H new ATOM 681 N ILE A 48 0.168 0.032 6.470 1.00 1.00 N ATOM 682 CA ILE A 48 -0.430 1.318 6.070 1.00 1.00 C ATOM 683 C ILE A 48 -1.631 1.034 5.156 1.00 1.00 C ATOM 684 O ILE A 48 -1.502 0.328 4.153 1.00 1.00 O ATOM 685 CB ILE A 48 0.630 2.216 5.375 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.829 2.495 6.317 1.00 1.00 C ATOM 687 CG2 ILE A 48 -0.002 3.541 4.905 1.00 1.00 C ATOM 688 CD1 ILE A 48 2.965 3.315 5.689 1.00 1.00 C ATOM 0 H ILE A 48 0.361 -0.577 5.675 1.00 1.00 H new ATOM 0 HA ILE A 48 -0.778 1.863 6.947 1.00 1.00 H new ATOM 0 HB ILE A 48 1.001 1.679 4.502 1.00 1.00 H new ATOM 0 HG12 ILE A 48 1.465 3.021 7.199 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.234 1.542 6.659 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.758 4.155 4.421 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.804 3.331 4.197 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.407 4.076 5.764 1.00 1.00 H new ATOM 0 HD11 ILE A 48 3.758 3.459 6.423 1.00 1.00 H new ATOM 0 HD12 ILE A 48 3.363 2.783 4.824 1.00 1.00 H new ATOM 0 HD13 ILE A 48 2.582 4.285 5.373 1.00 1.00 H new ATOM 700 N SER A 49 -2.804 1.561 5.515 1.00 1.00 N ATOM 701 CA SER A 49 -4.032 1.459 4.712 1.00 1.00 C ATOM 702 C SER A 49 -3.950 2.261 3.404 1.00 1.00 C ATOM 703 O SER A 49 -3.271 3.289 3.323 1.00 1.00 O ATOM 704 CB SER A 49 -5.247 1.914 5.535 1.00 1.00 C ATOM 705 OG SER A 49 -5.032 3.193 6.113 1.00 1.00 O ATOM 0 H SER A 49 -2.933 2.079 6.384 1.00 1.00 H new ATOM 0 HA SER A 49 -4.147 0.410 4.440 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.130 1.945 4.896 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.448 1.187 6.322 1.00 1.00 H new ATOM 0 HG SER A 49 -5.823 3.456 6.629 1.00 1.00 H new ATOM 711 N LYS A 50 -4.669 1.799 2.374 1.00 1.00 N ATOM 712 CA LYS A 50 -4.692 2.354 1.008 1.00 1.00 C ATOM 713 C LYS A 50 -6.118 2.355 0.448 1.00 1.00 C ATOM 714 O LYS A 50 -6.976 1.610 0.929 1.00 1.00 O ATOM 715 CB LYS A 50 -3.789 1.505 0.088 1.00 1.00 C ATOM 716 CG LYS A 50 -2.310 1.383 0.498 1.00 1.00 C ATOM 717 CD LYS A 50 -1.546 2.711 0.427 1.00 1.00 C ATOM 718 CE LYS A 50 -0.103 2.497 0.892 1.00 1.00 C ATOM 719 NZ LYS A 50 0.657 3.763 0.870 1.00 1.00 N ATOM 0 H LYS A 50 -5.281 0.989 2.471 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.326 3.380 1.047 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.210 0.501 0.029 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.831 1.928 -0.916 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.254 0.994 1.515 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.820 0.656 -0.149 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.557 3.095 -0.593 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -2.034 3.457 1.054 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.100 2.085 1.901 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.385 1.765 0.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.631 3.589 1.190 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.673 4.142 -0.099 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.203 4.452 1.503 1.00 1.00 H new ATOM 733 N SER A 51 -6.369 3.154 -0.589 1.00 1.00 N ATOM 734 CA SER A 51 -7.621 3.099 -1.358 1.00 1.00 C ATOM 735 C SER A 51 -7.771 1.751 -2.069 1.00 1.00 C ATOM 736 O SER A 51 -6.779 1.122 -2.446 1.00 1.00 O ATOM 737 CB SER A 51 -7.680 4.234 -2.387 1.00 1.00 C ATOM 738 OG SER A 51 -7.583 5.494 -1.738 1.00 1.00 O ATOM 0 H SER A 51 -5.712 3.859 -0.923 1.00 1.00 H new ATOM 0 HA SER A 51 -8.444 3.217 -0.653 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.868 4.124 -3.106 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.613 4.177 -2.948 1.00 1.00 H new ATOM 0 HG SER A 51 -7.620 6.210 -2.406 1.00 1.00 H new ATOM 744 N ALA A 52 -9.013 1.310 -2.270 1.00 1.00 N ATOM 745 CA ALA A 52 -9.319 -0.016 -2.810 1.00 1.00 C ATOM 746 C ALA A 52 -10.527 -0.030 -3.762 1.00 1.00 C ATOM 747 O ALA A 52 -11.495 0.701 -3.550 1.00 1.00 O ATOM 748 CB ALA A 52 -9.537 -0.975 -1.632 1.00 1.00 C ATOM 0 H ALA A 52 -9.842 1.867 -2.061 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.473 -0.336 -3.419 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.767 -1.971 -2.011 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.632 -1.018 -1.025 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.367 -0.619 -1.022 1.00 1.00 H new ATOM 754 N VAL A 53 -10.488 -0.910 -4.768 1.00 1.00 N ATOM 755 CA VAL A 53 -11.577 -1.217 -5.721 1.00 1.00 C ATOM 756 C VAL A 53 -11.825 -2.729 -5.811 1.00 1.00 C ATOM 757 O VAL A 53 -10.920 -3.523 -5.543 1.00 1.00 O ATOM 758 CB VAL A 53 -11.297 -0.657 -7.132 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.166 0.867 -7.107 1.00 1.00 C ATOM 760 CG2 VAL A 53 -10.048 -1.243 -7.806 1.00 1.00 C ATOM 0 H VAL A 53 -9.651 -1.462 -4.956 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.470 -0.727 -5.333 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.161 -0.960 -7.724 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.969 1.232 -8.115 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.093 1.306 -6.737 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.343 1.151 -6.451 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.924 -0.797 -8.793 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.170 -1.027 -7.197 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.162 -2.322 -7.908 1.00 1.00 H new ATOM 770 N SER A 54 -13.028 -3.154 -6.212 1.00 1.00 N ATOM 771 CA SER A 54 -13.304 -4.576 -6.471 1.00 1.00 C ATOM 772 C SER A 54 -12.724 -5.010 -7.821 1.00 1.00 C ATOM 773 O SER A 54 -13.073 -4.460 -8.869 1.00 1.00 O ATOM 774 CB SER A 54 -14.803 -4.882 -6.441 1.00 1.00 C ATOM 775 OG SER A 54 -14.978 -6.286 -6.587 1.00 1.00 O ATOM 0 H SER A 54 -13.826 -2.537 -6.365 1.00 1.00 H new ATOM 0 HA SER A 54 -12.822 -5.139 -5.672 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.241 -4.541 -5.503 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.315 -4.351 -7.243 1.00 1.00 H new ATOM 0 HG SER A 54 -15.293 -6.666 -5.741 1.00 1.00 H new ATOM 781 N PHE A 55 -11.857 -6.024 -7.804 1.00 1.00 N ATOM 782 CA PHE A 55 -11.349 -6.699 -9.006 1.00 1.00 C ATOM 783 C PHE A 55 -12.372 -7.664 -9.639 1.00 1.00 C ATOM 784 O PHE A 55 -12.245 -8.028 -10.809 1.00 1.00 O ATOM 785 CB PHE A 55 -10.085 -7.469 -8.613 1.00 1.00 C ATOM 786 CG PHE A 55 -9.306 -8.061 -9.778 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.463 -7.243 -10.556 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.401 -9.437 -10.070 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.717 -7.796 -11.612 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.652 -9.990 -11.125 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.809 -9.170 -11.895 1.00 1.00 C ATOM 0 H PHE A 55 -11.479 -6.409 -6.938 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.141 -5.940 -9.760 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.427 -6.800 -8.058 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.365 -8.275 -7.935 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.389 -6.187 -10.341 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.051 -10.069 -9.482 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.073 -7.165 -12.206 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.725 -11.045 -11.343 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.233 -9.595 -12.703 1.00 1.00 H new ATOM 801 N ASP A 56 -13.401 -8.065 -8.883 1.00 1.00 N ATOM 802 CA ASP A 56 -14.338 -9.139 -9.243 1.00 1.00 C ATOM 803 C ASP A 56 -15.806 -8.665 -9.336 1.00 1.00 C ATOM 804 O ASP A 56 -16.727 -9.481 -9.384 1.00 1.00 O ATOM 805 CB ASP A 56 -14.140 -10.287 -8.236 1.00 1.00 C ATOM 806 CG ASP A 56 -14.809 -11.593 -8.680 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.500 -12.064 -9.801 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.604 -12.142 -7.881 1.00 1.00 O ATOM 0 H ASP A 56 -13.612 -7.641 -7.980 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.117 -9.490 -10.251 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.073 -10.461 -8.096 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.544 -9.989 -7.269 1.00 1.00 H new ATOM 813 N ASN A 57 -16.027 -7.344 -9.363 1.00 1.00 N ATOM 814 CA ASN A 57 -17.339 -6.684 -9.332 1.00 1.00 C ATOM 815 C ASN A 57 -18.266 -7.209 -8.212 1.00 1.00 C ATOM 816 O ASN A 57 -19.453 -7.467 -8.430 1.00 1.00 O ATOM 817 CB ASN A 57 -17.978 -6.691 -10.736 1.00 1.00 C ATOM 818 CG ASN A 57 -17.153 -5.959 -11.779 1.00 1.00 C ATOM 819 OD1 ASN A 57 -16.545 -6.552 -12.661 1.00 1.00 O ATOM 820 ND2 ASN A 57 -17.111 -4.647 -11.724 1.00 1.00 N ATOM 0 H ASN A 57 -15.259 -6.674 -9.409 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.180 -5.640 -9.060 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -18.122 -7.723 -11.056 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -18.966 -6.234 -10.679 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -16.573 -4.125 -12.415 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -17.617 -4.151 -10.990 1.00 1.00 H new ATOM 827 N GLN A 58 -17.720 -7.349 -7.000 1.00 1.00 N ATOM 828 CA GLN A 58 -18.466 -7.676 -5.778 1.00 1.00 C ATOM 829 C GLN A 58 -18.576 -6.455 -4.853 1.00 1.00 C ATOM 830 O GLN A 58 -17.728 -5.565 -4.872 1.00 1.00 O ATOM 831 CB GLN A 58 -17.789 -8.832 -5.025 1.00 1.00 C ATOM 832 CG GLN A 58 -17.919 -10.181 -5.750 1.00 1.00 C ATOM 833 CD GLN A 58 -17.576 -11.363 -4.839 1.00 1.00 C ATOM 834 OE1 GLN A 58 -18.094 -11.511 -3.739 1.00 1.00 O ATOM 835 NE2 GLN A 58 -16.707 -12.261 -5.248 1.00 1.00 N ATOM 0 H GLN A 58 -16.720 -7.235 -6.836 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.470 -7.980 -6.076 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.733 -8.600 -4.889 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.228 -8.917 -4.031 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -18.937 -10.295 -6.122 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -17.260 -10.190 -6.618 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -16.261 -12.161 -6.160 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -16.479 -13.058 -4.653 1.00 1.00 H new ATOM 844 N GLN A 59 -19.620 -6.425 -4.021 1.00 1.00 N ATOM 845 CA GLN A 59 -19.772 -5.439 -2.949 1.00 1.00 C ATOM 846 C GLN A 59 -19.052 -5.972 -1.698 1.00 1.00 C ATOM 847 O GLN A 59 -19.379 -7.048 -1.194 1.00 1.00 O ATOM 848 CB GLN A 59 -21.273 -5.171 -2.720 1.00 1.00 C ATOM 849 CG GLN A 59 -21.591 -3.824 -2.044 1.00 1.00 C ATOM 850 CD GLN A 59 -21.005 -3.685 -0.640 1.00 1.00 C ATOM 851 OE1 GLN A 59 -20.059 -2.946 -0.405 1.00 1.00 O ATOM 852 NE2 GLN A 59 -21.524 -4.406 0.328 1.00 1.00 N ATOM 0 H GLN A 59 -20.391 -7.091 -4.073 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.318 -4.483 -3.208 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.786 -5.210 -3.681 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.682 -5.975 -2.108 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.210 -3.016 -2.668 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -22.673 -3.702 -1.990 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.313 -5.024 0.137 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -21.138 -4.348 1.270 1.00 1.00 H new ATOM 861 N ILE A 60 -18.060 -5.226 -1.211 1.00 1.00 N ATOM 862 CA ILE A 60 -17.141 -5.623 -0.137 1.00 1.00 C ATOM 863 C ILE A 60 -17.298 -4.646 1.033 1.00 1.00 C ATOM 864 O ILE A 60 -16.670 -3.587 1.078 1.00 1.00 O ATOM 865 CB ILE A 60 -15.673 -5.747 -0.625 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.518 -6.256 -2.080 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.952 -6.671 0.360 1.00 1.00 C ATOM 868 CD1 ILE A 60 -14.067 -6.324 -2.576 1.00 1.00 C ATOM 0 H ILE A 60 -17.865 -4.290 -1.567 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.404 -6.624 0.204 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.234 -4.749 -0.647 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.961 -7.249 -2.154 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -16.086 -5.603 -2.743 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.912 -6.788 0.055 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.991 -6.238 1.360 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.439 -7.646 0.368 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -14.050 -6.690 -3.603 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.623 -5.329 -2.538 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.496 -7.001 -1.940 1.00 1.00 H new ATOM 880 N SER A 61 -18.196 -4.983 1.959 1.00 1.00 N ATOM 881 CA SER A 61 -18.466 -4.202 3.174 1.00 1.00 C ATOM 882 C SER A 61 -17.252 -4.104 4.113 1.00 1.00 C ATOM 883 O SER A 61 -16.294 -4.876 4.020 1.00 1.00 O ATOM 884 CB SER A 61 -19.642 -4.827 3.937 1.00 1.00 C ATOM 885 OG SER A 61 -20.797 -4.864 3.114 1.00 1.00 O ATOM 0 H SER A 61 -18.770 -5.823 1.887 1.00 1.00 H new ATOM 0 HA SER A 61 -18.705 -3.189 2.849 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.382 -5.836 4.257 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.848 -4.250 4.839 1.00 1.00 H new ATOM 0 HG SER A 61 -20.801 -5.694 2.593 1.00 1.00 H new ATOM 891 N TYR A 62 -17.327 -3.173 5.069 1.00 1.00 N ATOM 892 CA TYR A 62 -16.386 -3.051 6.189 1.00 1.00 C ATOM 893 C TYR A 62 -16.185 -4.387 6.932 1.00 1.00 C ATOM 894 O TYR A 62 -17.150 -5.109 7.205 1.00 1.00 O ATOM 895 CB TYR A 62 -16.932 -1.983 7.154 1.00 1.00 C ATOM 896 CG TYR A 62 -16.050 -1.699 8.357 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.117 -2.513 9.507 1.00 1.00 C ATOM 898 CD2 TYR A 62 -15.161 -0.610 8.327 1.00 1.00 C ATOM 899 CE1 TYR A 62 -15.272 -2.261 10.604 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.314 -0.351 9.421 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.362 -1.180 10.562 1.00 1.00 C ATOM 902 OH TYR A 62 -13.539 -0.925 11.618 1.00 1.00 O ATOM 0 H TYR A 62 -18.061 -2.465 5.087 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.410 -2.762 5.799 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.078 -1.055 6.601 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.913 -2.301 7.508 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -16.819 -3.333 9.546 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -15.128 0.032 7.459 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -15.319 -2.894 11.478 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.627 0.482 9.387 1.00 1.00 H new ATOM 0 HH TYR A 62 -12.980 -0.146 11.416 1.00 1.00 H new ATOM 912 N GLY A 63 -14.941 -4.695 7.307 1.00 1.00 N ATOM 913 CA GLY A 63 -14.620 -5.806 8.204 1.00 1.00 C ATOM 914 C GLY A 63 -14.637 -7.203 7.571 1.00 1.00 C ATOM 915 O GLY A 63 -15.020 -8.157 8.252 1.00 1.00 O ATOM 0 H GLY A 63 -14.121 -4.175 6.993 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.631 -5.632 8.627 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.328 -5.795 9.033 1.00 1.00 H new ATOM 919 N THR A 64 -14.218 -7.354 6.306 1.00 1.00 N ATOM 920 CA THR A 64 -14.039 -8.678 5.671 1.00 1.00 C ATOM 921 C THR A 64 -12.641 -8.875 5.093 1.00 1.00 C ATOM 922 O THR A 64 -11.940 -7.913 4.763 1.00 1.00 O ATOM 923 CB THR A 64 -15.119 -8.975 4.618 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.224 -10.374 4.476 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.830 -8.390 3.239 1.00 1.00 C ATOM 0 H THR A 64 -13.994 -6.570 5.693 1.00 1.00 H new ATOM 0 HA THR A 64 -14.157 -9.404 6.475 1.00 1.00 H new ATOM 0 HB THR A 64 -16.037 -8.509 4.977 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.910 -10.584 3.809 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.641 -8.646 2.558 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.748 -7.306 3.314 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.894 -8.799 2.859 1.00 1.00 H new ATOM 933 N THR A 65 -12.237 -10.140 4.988 1.00 1.00 N ATOM 934 CA THR A 65 -10.896 -10.566 4.576 1.00 1.00 C ATOM 935 C THR A 65 -10.830 -10.732 3.058 1.00 1.00 C ATOM 936 O THR A 65 -11.636 -11.443 2.451 1.00 1.00 O ATOM 937 CB THR A 65 -10.510 -11.865 5.295 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.598 -11.663 6.691 1.00 1.00 O ATOM 939 CG2 THR A 65 -9.076 -12.295 4.995 1.00 1.00 C ATOM 0 H THR A 65 -12.854 -10.926 5.194 1.00 1.00 H new ATOM 0 HA THR A 65 -10.178 -9.796 4.858 1.00 1.00 H new ATOM 0 HB THR A 65 -11.193 -12.638 4.943 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.354 -12.490 7.157 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.854 -13.219 5.528 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.962 -12.458 3.923 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.387 -11.515 5.319 1.00 1.00 H new ATOM 947 N VAL A 66 -9.838 -10.091 2.441 1.00 1.00 N ATOM 948 CA VAL A 66 -9.705 -9.926 0.986 1.00 1.00 C ATOM 949 C VAL A 66 -8.297 -10.256 0.499 1.00 1.00 C ATOM 950 O VAL A 66 -7.325 -9.998 1.197 1.00 1.00 O ATOM 951 CB VAL A 66 -10.077 -8.488 0.561 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.551 -8.156 0.813 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.258 -7.399 1.270 1.00 1.00 C ATOM 0 H VAL A 66 -9.074 -9.654 2.956 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.397 -10.630 0.524 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.854 -8.482 -0.506 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.753 -7.133 0.495 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.181 -8.843 0.247 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.770 -8.255 1.876 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.577 -6.418 0.919 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.415 -7.468 2.346 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.200 -7.537 1.048 1.00 1.00 H new ATOM 963 N LEU A 67 -8.164 -10.822 -0.698 1.00 1.00 N ATOM 964 CA LEU A 67 -6.870 -10.984 -1.367 1.00 1.00 C ATOM 965 C LEU A 67 -6.648 -9.777 -2.286 1.00 1.00 C ATOM 966 O LEU A 67 -7.514 -9.464 -3.109 1.00 1.00 O ATOM 967 CB LEU A 67 -6.878 -12.313 -2.150 1.00 1.00 C ATOM 968 CG LEU A 67 -5.560 -12.642 -2.879 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.410 -12.908 -1.904 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.744 -13.892 -3.738 1.00 1.00 C ATOM 0 H LEU A 67 -8.952 -11.183 -1.236 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.050 -11.024 -0.650 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -7.107 -13.124 -1.459 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.684 -12.282 -2.883 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.310 -11.774 -3.489 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.503 -13.135 -2.464 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.244 -12.025 -1.288 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.663 -13.754 -1.265 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.810 -14.121 -4.252 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -6.024 -14.732 -3.103 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.529 -13.716 -4.474 1.00 1.00 H new ATOM 982 N VAL A 68 -5.507 -9.094 -2.159 1.00 1.00 N ATOM 983 CA VAL A 68 -5.109 -8.066 -3.136 1.00 1.00 C ATOM 984 C VAL A 68 -4.619 -8.785 -4.395 1.00 1.00 C ATOM 985 O VAL A 68 -3.732 -9.633 -4.316 1.00 1.00 O ATOM 986 CB VAL A 68 -4.023 -7.112 -2.597 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.870 -5.920 -3.547 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.365 -6.567 -1.202 1.00 1.00 C ATOM 0 H VAL A 68 -4.844 -9.230 -1.396 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.972 -7.437 -3.354 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.099 -7.687 -2.528 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.103 -5.247 -3.165 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.580 -6.277 -4.535 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.818 -5.387 -3.617 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.570 -5.901 -0.867 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.305 -6.017 -1.247 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.463 -7.396 -0.501 1.00 1.00 H new ATOM 998 N VAL A 69 -5.202 -8.466 -5.551 1.00 1.00 N ATOM 999 CA VAL A 69 -5.011 -9.205 -6.817 1.00 1.00 C ATOM 1000 C VAL A 69 -4.450 -8.347 -7.963 1.00 1.00 C ATOM 1001 O VAL A 69 -3.857 -8.887 -8.896 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.303 -9.929 -7.244 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.506 -11.204 -6.418 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.557 -9.065 -7.094 1.00 1.00 C ATOM 0 H VAL A 69 -5.835 -7.672 -5.644 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.246 -9.952 -6.606 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.172 -10.163 -8.300 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.423 -11.700 -6.735 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.660 -11.874 -6.569 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.579 -10.945 -5.362 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.431 -9.634 -7.411 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.674 -8.772 -6.051 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.460 -8.173 -7.713 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.561 -7.020 -7.881 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.886 -6.054 -8.765 1.00 1.00 C ATOM 1016 C ASP A 70 -3.629 -4.762 -7.970 1.00 1.00 C ATOM 1017 O ASP A 70 -4.246 -4.556 -6.926 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.716 -5.777 -10.034 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.847 -5.523 -11.268 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -3.075 -4.537 -11.243 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.955 -6.308 -12.240 1.00 1.00 O ATOM 0 H ASP A 70 -5.142 -6.568 -7.175 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.936 -6.470 -9.101 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.372 -6.626 -10.226 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.356 -4.912 -9.862 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.707 -3.902 -8.407 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.238 -2.732 -7.638 1.00 1.00 C ATOM 1028 C ILE A 71 -1.841 -1.595 -8.591 1.00 1.00 C ATOM 1029 O ILE A 71 -1.132 -1.817 -9.576 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.060 -3.138 -6.705 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.537 -4.184 -5.669 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.468 -1.919 -5.982 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.610 -4.491 -4.496 1.00 1.00 C ATOM 0 H ILE A 71 -2.255 -3.994 -9.317 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.049 -2.368 -7.008 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.278 -3.574 -7.327 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.490 -3.845 -5.264 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.729 -5.117 -6.198 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.352 -2.240 -5.339 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.095 -1.206 -6.717 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.240 -1.445 -5.376 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -1.073 -5.240 -3.853 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.339 -4.872 -4.872 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.434 -3.580 -3.924 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.277 -0.369 -8.282 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.060 0.828 -9.096 1.00 1.00 C ATOM 1047 C ASN A 72 -1.829 2.086 -8.227 1.00 1.00 C ATOM 1048 O ASN A 72 -2.774 2.787 -7.865 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.256 0.968 -10.060 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.071 2.103 -11.054 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.691 3.154 -10.973 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -2.205 1.932 -12.028 1.00 1.00 N ATOM 0 H ASN A 72 -2.807 -0.178 -7.432 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.145 0.726 -9.679 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.393 0.033 -10.603 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.165 1.138 -9.484 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -2.053 2.674 -12.711 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -1.685 1.057 -12.100 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.563 2.366 -7.890 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.068 3.603 -7.254 1.00 1.00 C ATOM 1061 C ASN A 73 -0.964 4.193 -6.130 1.00 1.00 C ATOM 1062 O ASN A 73 -1.373 5.357 -6.178 1.00 1.00 O ATOM 1063 CB ASN A 73 0.257 4.611 -8.376 1.00 1.00 C ATOM 1064 CG ASN A 73 1.064 5.812 -7.897 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.830 5.750 -6.944 1.00 1.00 O ATOM 1066 ND2 ASN A 73 0.934 6.945 -8.552 1.00 1.00 N ATOM 0 H ASN A 73 0.190 1.699 -8.062 1.00 1.00 H new ATOM 0 HA ASN A 73 0.834 3.352 -6.695 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.812 4.101 -9.163 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.675 4.962 -8.819 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.469 7.764 -8.265 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.298 7.004 -9.347 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.314 3.371 -5.136 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.149 3.749 -3.984 1.00 1.00 C ATOM 1075 C GLY A 74 -3.611 3.297 -4.080 1.00 1.00 C ATOM 1076 O GLY A 74 -4.354 3.434 -3.107 1.00 1.00 O ATOM 0 H GLY A 74 -1.017 2.396 -5.107 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.710 3.327 -3.080 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.124 4.833 -3.874 1.00 1.00 H new ATOM 1080 N VAL A 75 -4.015 2.726 -5.220 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.343 2.150 -5.481 1.00 1.00 C ATOM 1082 C VAL A 75 -5.174 0.654 -5.743 1.00 1.00 C ATOM 1083 O VAL A 75 -4.737 0.227 -6.812 1.00 1.00 O ATOM 1084 CB VAL A 75 -6.068 2.851 -6.649 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.525 2.375 -6.726 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.075 4.378 -6.495 1.00 1.00 C ATOM 0 H VAL A 75 -3.396 2.648 -6.027 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.976 2.305 -4.607 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.523 2.592 -7.557 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -8.028 2.876 -7.553 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.548 1.297 -6.886 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.036 2.614 -5.793 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.596 4.827 -7.341 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.585 4.648 -5.570 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -5.049 4.745 -6.465 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.445 -0.148 -4.718 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.364 -1.605 -4.759 1.00 1.00 C ATOM 1098 C LEU A 76 -6.659 -2.184 -5.357 1.00 1.00 C ATOM 1099 O LEU A 76 -7.752 -1.682 -5.102 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.138 -2.112 -3.319 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.677 -2.025 -2.826 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -3.059 -0.624 -2.874 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.592 -2.517 -1.382 1.00 1.00 C ATOM 0 H LEU A 76 -5.736 0.209 -3.808 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.537 -1.929 -5.391 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.770 -1.537 -2.642 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.467 -3.149 -3.258 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.111 -2.649 -3.518 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -2.033 -0.666 -2.508 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -3.063 -0.259 -3.901 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.640 0.052 -2.247 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.560 -2.455 -1.037 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.225 -1.896 -0.748 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.930 -3.552 -1.330 1.00 1.00 H new ATOM 1115 N SER A 77 -6.555 -3.285 -6.090 1.00 1.00 N ATOM 1116 CA SER A 77 -7.694 -4.053 -6.604 1.00 1.00 C ATOM 1117 C SER A 77 -7.775 -5.359 -5.831 1.00 1.00 C ATOM 1118 O SER A 77 -6.809 -6.126 -5.791 1.00 1.00 O ATOM 1119 CB SER A 77 -7.558 -4.341 -8.099 1.00 1.00 C ATOM 1120 OG SER A 77 -7.333 -3.151 -8.839 1.00 1.00 O ATOM 0 H SER A 77 -5.654 -3.684 -6.353 1.00 1.00 H new ATOM 0 HA SER A 77 -8.603 -3.466 -6.471 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.733 -5.035 -8.264 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.463 -4.830 -8.460 1.00 1.00 H new ATOM 0 HG SER A 77 -7.249 -3.369 -9.791 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.918 -5.615 -5.195 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.080 -6.714 -4.231 1.00 1.00 C ATOM 1128 C VAL A 78 -10.322 -7.558 -4.522 1.00 1.00 C ATOM 1129 O VAL A 78 -11.243 -7.125 -5.214 1.00 1.00 O ATOM 1130 CB VAL A 78 -9.073 -6.191 -2.774 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.929 -5.208 -2.496 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.371 -5.489 -2.360 1.00 1.00 C ATOM 0 H VAL A 78 -9.766 -5.065 -5.332 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.219 -7.372 -4.349 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.947 -7.101 -2.188 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.978 -4.877 -1.459 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.974 -5.701 -2.675 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.021 -4.346 -3.157 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.288 -5.151 -1.327 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.544 -4.631 -3.010 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.205 -6.185 -2.449 1.00 1.00 H new ATOM 1142 N THR A 79 -10.360 -8.767 -3.967 1.00 1.00 N ATOM 1143 CA THR A 79 -11.513 -9.682 -4.043 1.00 1.00 C ATOM 1144 C THR A 79 -11.680 -10.429 -2.707 1.00 1.00 C ATOM 1145 O THR A 79 -10.670 -10.754 -2.073 1.00 1.00 O ATOM 1146 CB THR A 79 -11.350 -10.639 -5.241 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.463 -11.498 -5.329 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.102 -11.525 -5.176 1.00 1.00 C ATOM 0 H THR A 79 -9.577 -9.153 -3.439 1.00 1.00 H new ATOM 0 HA THR A 79 -12.428 -9.113 -4.210 1.00 1.00 H new ATOM 0 HB THR A 79 -11.257 -9.988 -6.110 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.351 -12.101 -6.094 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.065 -12.167 -6.056 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.211 -10.897 -5.147 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.140 -12.142 -4.279 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.911 -10.667 -2.206 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.133 -11.299 -0.905 1.00 1.00 C ATOM 1158 C PRO A 80 -12.788 -12.794 -0.912 1.00 1.00 C ATOM 1159 O PRO A 80 -13.610 -13.655 -1.232 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.585 -10.997 -0.537 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.273 -10.881 -1.896 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.191 -10.270 -2.786 1.00 1.00 C ATOM 0 HA PRO A 80 -12.464 -10.897 -0.144 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -15.021 -11.792 0.068 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.671 -10.075 0.038 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.598 -11.853 -2.267 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.158 -10.247 -1.846 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.282 -10.630 -3.811 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.283 -9.184 -2.820 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.545 -13.097 -0.526 1.00 1.00 N ATOM 1171 CA HIS A 81 -11.064 -14.456 -0.272 1.00 1.00 C ATOM 1172 C HIS A 81 -11.867 -15.128 0.863 1.00 1.00 C ATOM 1173 O HIS A 81 -12.145 -16.327 0.796 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.567 -14.385 0.073 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.845 -15.715 0.149 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.389 -16.948 0.442 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.505 -15.917 -0.052 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.409 -17.865 0.419 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.234 -17.281 0.122 1.00 1.00 N ATOM 0 H HIS A 81 -10.829 -12.386 -0.378 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.206 -15.068 -1.163 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.070 -13.765 -0.673 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.458 -13.878 1.032 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.372 -17.132 0.643 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.781 -15.155 -0.302 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.544 -18.919 0.611 1.00 1.00 H new ATOM 1187 N GLU A 82 -12.240 -14.350 1.890 1.00 1.00 N ATOM 1188 CA GLU A 82 -13.019 -14.744 3.078 1.00 1.00 C ATOM 1189 C GLU A 82 -12.736 -16.177 3.613 1.00 1.00 C ATOM 1190 O GLU A 82 -13.658 -16.997 3.712 1.00 1.00 O ATOM 1191 CB GLU A 82 -14.507 -14.444 2.801 1.00 1.00 C ATOM 1192 CG GLU A 82 -15.327 -14.260 4.086 1.00 1.00 C ATOM 1193 CD GLU A 82 -16.800 -13.974 3.759 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -17.110 -12.818 3.381 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -17.625 -14.911 3.885 1.00 1.00 O ATOM 0 H GLU A 82 -11.989 -13.362 1.916 1.00 1.00 H new ATOM 0 HA GLU A 82 -12.685 -14.140 3.921 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.584 -13.542 2.194 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.934 -15.259 2.216 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -15.254 -15.157 4.700 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -14.914 -13.439 4.671 1.00 1.00 H new ATOM 1202 N PRO A 83 -11.468 -16.527 3.930 1.00 1.00 N ATOM 1203 CA PRO A 83 -11.104 -17.857 4.425 1.00 1.00 C ATOM 1204 C PRO A 83 -11.656 -18.128 5.839 1.00 1.00 C ATOM 1205 O PRO A 83 -11.908 -17.204 6.617 1.00 1.00 O ATOM 1206 CB PRO A 83 -9.572 -17.892 4.396 1.00 1.00 C ATOM 1207 CG PRO A 83 -9.180 -16.433 4.619 1.00 1.00 C ATOM 1208 CD PRO A 83 -10.291 -15.666 3.905 1.00 1.00 C ATOM 0 HA PRO A 83 -11.539 -18.641 3.805 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -9.170 -18.540 5.175 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -9.197 -18.268 3.444 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -9.135 -16.185 5.679 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -8.200 -16.209 4.198 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -10.492 -14.719 4.405 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -10.004 -15.431 2.880 1.00 1.00 H new ATOM 1216 N ILE A 84 -11.795 -19.413 6.183 1.00 1.00 N ATOM 1217 CA ILE A 84 -12.371 -19.916 7.446 1.00 1.00 C ATOM 1218 C ILE A 84 -11.479 -21.024 8.028 1.00 1.00 C ATOM 1219 O ILE A 84 -11.025 -21.926 7.308 1.00 1.00 O ATOM 1220 CB ILE A 84 -13.820 -20.427 7.225 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -14.789 -19.362 6.657 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -14.408 -21.026 8.518 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -15.106 -18.176 7.582 1.00 1.00 C ATOM 0 H ILE A 84 -11.498 -20.168 5.565 1.00 1.00 H new ATOM 0 HA ILE A 84 -12.414 -19.095 8.162 1.00 1.00 H new ATOM 0 HB ILE A 84 -13.729 -21.204 6.466 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -14.366 -18.972 5.731 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -15.726 -19.854 6.397 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -15.423 -21.374 8.329 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -13.792 -21.864 8.844 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -14.425 -20.264 9.297 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -15.793 -17.496 7.079 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -15.565 -18.543 8.500 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -14.184 -17.647 7.824 1.00 1.00 H new TER 1235 ILE A 84