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 26 LYS NZ :NH3+ 155:sc= 0.19 (180deg=-0.685) USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.265 USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0534 (180deg=-0.0534) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 75:sc= 0.933 USER MOD Single : A 8 SER OG : rot 73:sc= 0.766 USER MOD Single : A 12 SER OG : rot 74:sc= 0.785 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 152:sc= 0.331 USER MOD Single : A 47 THR OG1 : rot 178:sc= 0.811 USER MOD Single : A 49 SER OG : rot 180:sc= 0.00316 USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0.0144 (180deg=0.00461) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 110:sc= 0.652 USER MOD Single : A 57 ASN : amide:sc= 0.492 K(o=0.49,f=-0.012) USER MOD Single : A 58 GLN : amide:sc= 0.86 K(o=0.86,f=-0.079) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc=-0.00465 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 72 ASN : amide:sc= 0.197 X(o=0.2,f=0) USER MOD Single : A 73 ASN : amide:sc= 0.776 K(o=0.78,f=-0.74) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc=-0.00656 USER MOD Single : A 81 HIS : no HE2:sc= 0.271 K(o=0.27,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.519 19.417 -10.913 1.00 1.00 N ATOM 2 CA GLY A 1 15.307 17.968 -11.003 1.00 1.00 C ATOM 3 C GLY A 1 14.545 17.355 -9.820 1.00 1.00 C ATOM 4 O GLY A 1 14.265 16.155 -9.821 1.00 1.00 O ATOM 0 H1 GLY A 1 16.040 19.744 -11.752 1.00 1.00 H new ATOM 0 H2 GLY A 1 14.599 19.900 -10.866 1.00 1.00 H new ATOM 0 H3 GLY A 1 16.068 19.635 -10.057 1.00 1.00 H new ATOM 0 HA2 GLY A 1 14.760 17.751 -11.921 1.00 1.00 H new ATOM 0 HA3 GLY A 1 16.277 17.477 -11.086 1.00 1.00 H new ATOM 8 N SER A 2 14.189 18.155 -8.810 1.00 1.00 N ATOM 9 CA SER A 2 13.495 17.713 -7.589 1.00 1.00 C ATOM 10 C SER A 2 12.175 16.979 -7.858 1.00 1.00 C ATOM 11 O SER A 2 11.904 15.956 -7.230 1.00 1.00 O ATOM 12 CB SER A 2 13.257 18.907 -6.656 1.00 1.00 C ATOM 13 OG SER A 2 12.549 19.942 -7.325 1.00 1.00 O ATOM 0 H SER A 2 14.380 19.157 -8.816 1.00 1.00 H new ATOM 0 HA SER A 2 14.153 16.988 -7.110 1.00 1.00 H new ATOM 0 HB2 SER A 2 12.694 18.583 -5.781 1.00 1.00 H new ATOM 0 HB3 SER A 2 14.213 19.289 -6.297 1.00 1.00 H new ATOM 0 HG SER A 2 12.407 20.692 -6.710 1.00 1.00 H new ATOM 19 N HIS A 3 11.383 17.433 -8.836 1.00 1.00 N ATOM 20 CA HIS A 3 10.142 16.769 -9.254 1.00 1.00 C ATOM 21 C HIS A 3 10.382 15.347 -9.795 1.00 1.00 C ATOM 22 O HIS A 3 9.603 14.434 -9.512 1.00 1.00 O ATOM 23 CB HIS A 3 9.431 17.630 -10.308 1.00 1.00 C ATOM 24 CG HIS A 3 9.031 18.997 -9.807 1.00 1.00 C ATOM 25 ND1 HIS A 3 7.974 19.284 -8.971 1.00 1.00 N ATOM 26 CD2 HIS A 3 9.642 20.187 -10.103 1.00 1.00 C ATOM 27 CE1 HIS A 3 7.947 20.611 -8.766 1.00 1.00 C ATOM 28 NE2 HIS A 3 8.948 21.209 -9.439 1.00 1.00 N ATOM 0 H HIS A 3 11.587 18.281 -9.365 1.00 1.00 H new ATOM 0 HA HIS A 3 9.511 16.664 -8.371 1.00 1.00 H new ATOM 0 HB2 HIS A 3 10.087 17.747 -11.171 1.00 1.00 H new ATOM 0 HB3 HIS A 3 8.541 17.104 -10.653 1.00 1.00 H new ATOM 0 HD2 HIS A 3 10.507 20.316 -10.737 1.00 1.00 H new ATOM 0 HE1 HIS A 3 7.225 21.125 -8.149 1.00 1.00 H new ATOM 0 HE2 HIS A 3 9.160 22.207 -9.461 1.00 1.00 H new ATOM 36 N MET A 4 11.476 15.135 -10.534 1.00 1.00 N ATOM 37 CA MET A 4 11.866 13.828 -11.076 1.00 1.00 C ATOM 38 C MET A 4 12.398 12.894 -9.980 1.00 1.00 C ATOM 39 O MET A 4 12.107 11.697 -10.000 1.00 1.00 O ATOM 40 CB MET A 4 12.919 13.989 -12.189 1.00 1.00 C ATOM 41 CG MET A 4 12.430 14.805 -13.395 1.00 1.00 C ATOM 42 SD MET A 4 12.364 16.609 -13.169 1.00 1.00 S ATOM 43 CE MET A 4 11.721 17.094 -14.793 1.00 1.00 C ATOM 0 H MET A 4 12.128 15.881 -10.777 1.00 1.00 H new ATOM 0 HA MET A 4 10.970 13.375 -11.499 1.00 1.00 H new ATOM 0 HB2 MET A 4 13.804 14.470 -11.772 1.00 1.00 H new ATOM 0 HB3 MET A 4 13.225 13.001 -12.532 1.00 1.00 H new ATOM 0 HG2 MET A 4 13.082 14.589 -14.242 1.00 1.00 H new ATOM 0 HG3 MET A 4 11.433 14.456 -13.663 1.00 1.00 H new ATOM 0 HE1 MET A 4 11.616 18.178 -14.834 1.00 1.00 H new ATOM 0 HE2 MET A 4 12.412 16.767 -15.570 1.00 1.00 H new ATOM 0 HE3 MET A 4 10.748 16.629 -14.953 1.00 1.00 H new ATOM 53 N LEU A 5 13.124 13.427 -8.990 1.00 1.00 N ATOM 54 CA LEU A 5 13.567 12.675 -7.808 1.00 1.00 C ATOM 55 C LEU A 5 12.382 12.237 -6.930 1.00 1.00 C ATOM 56 O LEU A 5 12.318 11.079 -6.516 1.00 1.00 O ATOM 57 CB LEU A 5 14.570 13.518 -6.997 1.00 1.00 C ATOM 58 CG LEU A 5 15.907 13.799 -7.710 1.00 1.00 C ATOM 59 CD1 LEU A 5 16.750 14.753 -6.863 1.00 1.00 C ATOM 60 CD2 LEU A 5 16.726 12.526 -7.946 1.00 1.00 C ATOM 0 H LEU A 5 13.424 14.402 -8.986 1.00 1.00 H new ATOM 0 HA LEU A 5 14.061 11.766 -8.151 1.00 1.00 H new ATOM 0 HB2 LEU A 5 14.102 14.470 -6.745 1.00 1.00 H new ATOM 0 HB3 LEU A 5 14.777 13.006 -6.057 1.00 1.00 H new ATOM 0 HG LEU A 5 15.662 14.236 -8.678 1.00 1.00 H new ATOM 0 HD11 LEU A 5 17.695 14.950 -7.369 1.00 1.00 H new ATOM 0 HD12 LEU A 5 16.210 15.690 -6.724 1.00 1.00 H new ATOM 0 HD13 LEU A 5 16.946 14.300 -5.891 1.00 1.00 H new ATOM 0 HD21 LEU A 5 17.658 12.781 -8.451 1.00 1.00 H new ATOM 0 HD22 LEU A 5 16.949 12.054 -6.989 1.00 1.00 H new ATOM 0 HD23 LEU A 5 16.154 11.835 -8.566 1.00 1.00 H new ATOM 72 N GLU A 6 11.406 13.118 -6.693 1.00 1.00 N ATOM 73 CA GLU A 6 10.163 12.775 -5.983 1.00 1.00 C ATOM 74 C GLU A 6 9.301 11.769 -6.765 1.00 1.00 C ATOM 75 O GLU A 6 8.743 10.847 -6.166 1.00 1.00 O ATOM 76 CB GLU A 6 9.353 14.048 -5.682 1.00 1.00 C ATOM 77 CG GLU A 6 9.983 14.942 -4.601 1.00 1.00 C ATOM 78 CD GLU A 6 9.938 14.292 -3.212 1.00 1.00 C ATOM 79 OE1 GLU A 6 8.887 14.416 -2.536 1.00 1.00 O ATOM 80 OE2 GLU A 6 10.950 13.662 -2.821 1.00 1.00 O ATOM 0 H GLU A 6 11.453 14.093 -6.988 1.00 1.00 H new ATOM 0 HA GLU A 6 10.449 12.296 -5.046 1.00 1.00 H new ATOM 0 HB2 GLU A 6 9.246 14.625 -6.601 1.00 1.00 H new ATOM 0 HB3 GLU A 6 8.350 13.763 -5.365 1.00 1.00 H new ATOM 0 HG2 GLU A 6 11.018 15.156 -4.867 1.00 1.00 H new ATOM 0 HG3 GLU A 6 9.458 15.897 -4.571 1.00 1.00 H new ATOM 87 N SER A 7 9.239 11.880 -8.097 1.00 1.00 N ATOM 88 CA SER A 7 8.586 10.878 -8.957 1.00 1.00 C ATOM 89 C SER A 7 9.283 9.515 -8.869 1.00 1.00 C ATOM 90 O SER A 7 8.614 8.492 -8.737 1.00 1.00 O ATOM 91 CB SER A 7 8.550 11.334 -10.420 1.00 1.00 C ATOM 92 OG SER A 7 7.795 12.527 -10.566 1.00 1.00 O ATOM 0 H SER A 7 9.639 12.665 -8.612 1.00 1.00 H new ATOM 0 HA SER A 7 7.565 10.774 -8.591 1.00 1.00 H new ATOM 0 HB2 SER A 7 9.566 11.497 -10.778 1.00 1.00 H new ATOM 0 HB3 SER A 7 8.117 10.548 -11.038 1.00 1.00 H new ATOM 0 HG SER A 7 8.315 13.286 -10.230 1.00 1.00 H new ATOM 98 N SER A 8 10.620 9.489 -8.863 1.00 1.00 N ATOM 99 CA SER A 8 11.412 8.258 -8.698 1.00 1.00 C ATOM 100 C SER A 8 11.207 7.612 -7.323 1.00 1.00 C ATOM 101 O SER A 8 11.101 6.388 -7.229 1.00 1.00 O ATOM 102 CB SER A 8 12.907 8.536 -8.911 1.00 1.00 C ATOM 103 OG SER A 8 13.159 9.023 -10.220 1.00 1.00 O ATOM 0 H SER A 8 11.191 10.327 -8.973 1.00 1.00 H new ATOM 0 HA SER A 8 11.057 7.560 -9.456 1.00 1.00 H new ATOM 0 HB2 SER A 8 13.252 9.264 -8.177 1.00 1.00 H new ATOM 0 HB3 SER A 8 13.477 7.622 -8.745 1.00 1.00 H new ATOM 0 HG SER A 8 12.842 9.948 -10.292 1.00 1.00 H new ATOM 109 N ALA A 9 11.092 8.413 -6.258 1.00 1.00 N ATOM 110 CA ALA A 9 10.752 7.933 -4.917 1.00 1.00 C ATOM 111 C ALA A 9 9.326 7.350 -4.849 1.00 1.00 C ATOM 112 O ALA A 9 9.122 6.285 -4.264 1.00 1.00 O ATOM 113 CB ALA A 9 10.941 9.083 -3.921 1.00 1.00 C ATOM 0 H ALA A 9 11.234 9.422 -6.305 1.00 1.00 H new ATOM 0 HA ALA A 9 11.420 7.112 -4.657 1.00 1.00 H new ATOM 0 HB1 ALA A 9 10.691 8.740 -2.917 1.00 1.00 H new ATOM 0 HB2 ALA A 9 11.979 9.416 -3.943 1.00 1.00 H new ATOM 0 HB3 ALA A 9 10.288 9.912 -4.194 1.00 1.00 H new ATOM 119 N GLU A 10 8.341 7.995 -5.484 1.00 1.00 N ATOM 120 CA GLU A 10 6.968 7.480 -5.578 1.00 1.00 C ATOM 121 C GLU A 10 6.892 6.174 -6.392 1.00 1.00 C ATOM 122 O GLU A 10 6.223 5.229 -5.980 1.00 1.00 O ATOM 123 CB GLU A 10 6.044 8.559 -6.168 1.00 1.00 C ATOM 124 CG GLU A 10 4.564 8.165 -6.058 1.00 1.00 C ATOM 125 CD GLU A 10 3.643 9.248 -6.629 1.00 1.00 C ATOM 126 OE1 GLU A 10 3.551 10.337 -6.011 1.00 1.00 O ATOM 127 OE2 GLU A 10 3.011 8.987 -7.682 1.00 1.00 O ATOM 0 H GLU A 10 8.473 8.893 -5.950 1.00 1.00 H new ATOM 0 HA GLU A 10 6.630 7.237 -4.571 1.00 1.00 H new ATOM 0 HB2 GLU A 10 6.209 9.503 -5.648 1.00 1.00 H new ATOM 0 HB3 GLU A 10 6.299 8.724 -7.215 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.397 7.228 -6.590 1.00 1.00 H new ATOM 0 HG3 GLU A 10 4.312 7.988 -5.013 1.00 1.00 H new ATOM 134 N GLU A 11 7.620 6.074 -7.506 1.00 1.00 N ATOM 135 CA GLU A 11 7.731 4.836 -8.295 1.00 1.00 C ATOM 136 C GLU A 11 8.435 3.707 -7.524 1.00 1.00 C ATOM 137 O GLU A 11 8.036 2.545 -7.632 1.00 1.00 O ATOM 138 CB GLU A 11 8.464 5.120 -9.616 1.00 1.00 C ATOM 139 CG GLU A 11 7.588 5.896 -10.609 1.00 1.00 C ATOM 140 CD GLU A 11 8.395 6.314 -11.846 1.00 1.00 C ATOM 141 OE1 GLU A 11 8.572 5.458 -12.747 1.00 1.00 O ATOM 142 OE2 GLU A 11 8.837 7.487 -11.900 1.00 1.00 O ATOM 0 H GLU A 11 8.154 6.852 -7.892 1.00 1.00 H new ATOM 0 HA GLU A 11 6.718 4.492 -8.505 1.00 1.00 H new ATOM 0 HB2 GLU A 11 9.371 5.690 -9.411 1.00 1.00 H new ATOM 0 HB3 GLU A 11 8.775 4.178 -10.067 1.00 1.00 H new ATOM 0 HG2 GLU A 11 6.743 5.278 -10.914 1.00 1.00 H new ATOM 0 HG3 GLU A 11 7.177 6.781 -10.123 1.00 1.00 H new ATOM 149 N SER A 12 9.430 4.030 -6.693 1.00 1.00 N ATOM 150 CA SER A 12 10.071 3.061 -5.791 1.00 1.00 C ATOM 151 C SER A 12 9.107 2.568 -4.706 1.00 1.00 C ATOM 152 O SER A 12 9.083 1.378 -4.391 1.00 1.00 O ATOM 153 CB SER A 12 11.320 3.658 -5.131 1.00 1.00 C ATOM 154 OG SER A 12 12.288 4.022 -6.103 1.00 1.00 O ATOM 0 H SER A 12 9.816 4.971 -6.624 1.00 1.00 H new ATOM 0 HA SER A 12 10.364 2.210 -6.406 1.00 1.00 H new ATOM 0 HB2 SER A 12 11.042 4.534 -4.545 1.00 1.00 H new ATOM 0 HB3 SER A 12 11.750 2.934 -4.438 1.00 1.00 H new ATOM 0 HG SER A 12 11.994 4.832 -6.570 1.00 1.00 H new ATOM 160 N LEU A 13 8.256 3.451 -4.169 1.00 1.00 N ATOM 161 CA LEU A 13 7.199 3.077 -3.224 1.00 1.00 C ATOM 162 C LEU A 13 6.120 2.225 -3.910 1.00 1.00 C ATOM 163 O LEU A 13 5.691 1.223 -3.345 1.00 1.00 O ATOM 164 CB LEU A 13 6.646 4.364 -2.573 1.00 1.00 C ATOM 165 CG LEU A 13 5.628 4.224 -1.419 1.00 1.00 C ATOM 166 CD1 LEU A 13 4.201 3.919 -1.882 1.00 1.00 C ATOM 167 CD2 LEU A 13 6.046 3.190 -0.372 1.00 1.00 C ATOM 0 H LEU A 13 8.282 4.449 -4.379 1.00 1.00 H new ATOM 0 HA LEU A 13 7.601 2.445 -2.432 1.00 1.00 H new ATOM 0 HB2 LEU A 13 7.494 4.938 -2.200 1.00 1.00 H new ATOM 0 HB3 LEU A 13 6.179 4.959 -3.358 1.00 1.00 H new ATOM 0 HG LEU A 13 5.628 5.212 -0.959 1.00 1.00 H new ATOM 0 HD11 LEU A 13 3.547 3.836 -1.014 1.00 1.00 H new ATOM 0 HD12 LEU A 13 3.848 4.724 -2.527 1.00 1.00 H new ATOM 0 HD13 LEU A 13 4.191 2.980 -2.435 1.00 1.00 H new ATOM 0 HD21 LEU A 13 5.290 3.139 0.411 1.00 1.00 H new ATOM 0 HD22 LEU A 13 6.145 2.213 -0.845 1.00 1.00 H new ATOM 0 HD23 LEU A 13 7.002 3.480 0.065 1.00 1.00 H new ATOM 179 N ALA A 14 5.737 2.539 -5.150 1.00 1.00 N ATOM 180 CA ALA A 14 4.823 1.712 -5.941 1.00 1.00 C ATOM 181 C ALA A 14 5.396 0.304 -6.210 1.00 1.00 C ATOM 182 O ALA A 14 4.663 -0.681 -6.129 1.00 1.00 O ATOM 183 CB ALA A 14 4.475 2.448 -7.240 1.00 1.00 C ATOM 0 H ALA A 14 6.054 3.378 -5.636 1.00 1.00 H new ATOM 0 HA ALA A 14 3.909 1.554 -5.368 1.00 1.00 H new ATOM 0 HB1 ALA A 14 3.795 1.837 -7.833 1.00 1.00 H new ATOM 0 HB2 ALA A 14 3.996 3.398 -7.003 1.00 1.00 H new ATOM 0 HB3 ALA A 14 5.386 2.633 -7.809 1.00 1.00 H new ATOM 189 N TYR A 15 6.707 0.181 -6.446 1.00 1.00 N ATOM 190 CA TYR A 15 7.390 -1.113 -6.566 1.00 1.00 C ATOM 191 C TYR A 15 7.359 -1.929 -5.256 1.00 1.00 C ATOM 192 O TYR A 15 7.127 -3.139 -5.291 1.00 1.00 O ATOM 193 CB TYR A 15 8.828 -0.891 -7.053 1.00 1.00 C ATOM 194 CG TYR A 15 9.574 -2.183 -7.320 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.245 -2.955 -8.451 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.566 -2.631 -6.424 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.902 -4.179 -8.684 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.228 -3.853 -6.658 1.00 1.00 C ATOM 199 CZ TYR A 15 10.896 -4.631 -7.790 1.00 1.00 C ATOM 200 OH TYR A 15 11.526 -5.817 -8.023 1.00 1.00 O ATOM 0 H TYR A 15 7.328 0.982 -6.560 1.00 1.00 H new ATOM 0 HA TYR A 15 6.849 -1.709 -7.301 1.00 1.00 H new ATOM 0 HB2 TYR A 15 8.808 -0.295 -7.966 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.372 -0.312 -6.307 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.489 -2.608 -9.140 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.819 -2.037 -5.558 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.645 -4.773 -9.549 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.989 -4.195 -5.972 1.00 1.00 H new ATOM 0 HH TYR A 15 12.183 -5.983 -7.315 1.00 1.00 H new ATOM 210 N ARG A 16 7.513 -1.279 -4.091 1.00 1.00 N ATOM 211 CA ARG A 16 7.295 -1.914 -2.772 1.00 1.00 C ATOM 212 C ARG A 16 5.837 -2.315 -2.556 1.00 1.00 C ATOM 213 O ARG A 16 5.565 -3.407 -2.065 1.00 1.00 O ATOM 214 CB ARG A 16 7.739 -0.982 -1.630 1.00 1.00 C ATOM 215 CG ARG A 16 9.253 -0.731 -1.601 1.00 1.00 C ATOM 216 CD ARG A 16 9.639 0.288 -0.521 1.00 1.00 C ATOM 217 NE ARG A 16 9.291 -0.172 0.837 1.00 1.00 N ATOM 218 CZ ARG A 16 9.467 0.509 1.958 1.00 1.00 C ATOM 219 NH1 ARG A 16 9.997 1.705 1.981 1.00 1.00 N ATOM 220 NH2 ARG A 16 9.108 -0.005 3.103 1.00 1.00 N ATOM 0 H ARG A 16 7.792 -0.300 -4.032 1.00 1.00 H new ATOM 0 HA ARG A 16 7.903 -2.819 -2.763 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.222 -0.028 -1.728 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.432 -1.415 -0.678 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.774 -1.671 -1.418 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.581 -0.370 -2.576 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.711 0.480 -0.573 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.136 1.234 -0.721 1.00 1.00 H new ATOM 0 HE ARG A 16 8.877 -1.100 0.919 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.293 2.148 1.111 1.00 1.00 H new ATOM 0 HH12 ARG A 16 10.114 2.194 2.868 1.00 1.00 H new ATOM 0 HH21 ARG A 16 8.690 -0.935 3.136 1.00 1.00 H new ATOM 0 HH22 ARG A 16 9.245 0.523 3.965 1.00 1.00 H new ATOM 234 N GLU A 17 4.897 -1.463 -2.954 1.00 1.00 N ATOM 235 CA GLU A 17 3.460 -1.736 -2.896 1.00 1.00 C ATOM 236 C GLU A 17 3.071 -2.937 -3.769 1.00 1.00 C ATOM 237 O GLU A 17 2.251 -3.744 -3.351 1.00 1.00 O ATOM 238 CB GLU A 17 2.684 -0.467 -3.278 1.00 1.00 C ATOM 239 CG GLU A 17 1.226 -0.498 -2.810 1.00 1.00 C ATOM 240 CD GLU A 17 0.514 0.791 -3.223 1.00 1.00 C ATOM 241 OE1 GLU A 17 0.053 0.862 -4.386 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.440 1.715 -2.381 1.00 1.00 O ATOM 0 H GLU A 17 5.115 -0.542 -3.335 1.00 1.00 H new ATOM 0 HA GLU A 17 3.194 -2.010 -1.875 1.00 1.00 H new ATOM 0 HB2 GLU A 17 3.181 0.401 -2.845 1.00 1.00 H new ATOM 0 HB3 GLU A 17 2.711 -0.343 -4.361 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.716 -1.359 -3.242 1.00 1.00 H new ATOM 0 HG3 GLU A 17 1.186 -0.614 -1.727 1.00 1.00 H new ATOM 249 N ASP A 18 3.698 -3.122 -4.935 1.00 1.00 N ATOM 250 CA ASP A 18 3.480 -4.295 -5.793 1.00 1.00 C ATOM 251 C ASP A 18 3.862 -5.630 -5.122 1.00 1.00 C ATOM 252 O ASP A 18 3.304 -6.664 -5.486 1.00 1.00 O ATOM 253 CB ASP A 18 4.209 -4.136 -7.138 1.00 1.00 C ATOM 254 CG ASP A 18 3.565 -3.097 -8.064 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.313 -3.073 -8.142 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.326 -2.369 -8.744 1.00 1.00 O ATOM 0 H ASP A 18 4.375 -2.460 -5.314 1.00 1.00 H new ATOM 0 HA ASP A 18 2.406 -4.339 -5.971 1.00 1.00 H new ATOM 0 HB2 ASP A 18 5.244 -3.851 -6.950 1.00 1.00 H new ATOM 0 HB3 ASP A 18 4.231 -5.100 -7.646 1.00 1.00 H new ATOM 261 N ASP A 19 4.738 -5.640 -4.107 1.00 1.00 N ATOM 262 CA ASP A 19 4.972 -6.846 -3.291 1.00 1.00 C ATOM 263 C ASP A 19 3.720 -7.277 -2.496 1.00 1.00 C ATOM 264 O ASP A 19 3.503 -8.468 -2.265 1.00 1.00 O ATOM 265 CB ASP A 19 6.164 -6.637 -2.347 1.00 1.00 C ATOM 266 CG ASP A 19 6.576 -7.948 -1.668 1.00 1.00 C ATOM 267 OD1 ASP A 19 7.227 -8.779 -2.345 1.00 1.00 O ATOM 268 OD2 ASP A 19 6.242 -8.121 -0.471 1.00 1.00 O ATOM 0 H ASP A 19 5.295 -4.832 -3.830 1.00 1.00 H new ATOM 0 HA ASP A 19 5.203 -7.656 -3.983 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.008 -6.235 -2.908 1.00 1.00 H new ATOM 0 HB3 ASP A 19 5.904 -5.899 -1.588 1.00 1.00 H new ATOM 273 N LEU A 20 2.867 -6.320 -2.107 1.00 1.00 N ATOM 274 CA LEU A 20 1.607 -6.569 -1.394 1.00 1.00 C ATOM 275 C LEU A 20 0.564 -7.304 -2.264 1.00 1.00 C ATOM 276 O LEU A 20 -0.402 -7.848 -1.733 1.00 1.00 O ATOM 277 CB LEU A 20 1.026 -5.254 -0.835 1.00 1.00 C ATOM 278 CG LEU A 20 2.011 -4.330 -0.094 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.279 -3.077 0.390 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.688 -4.996 1.104 1.00 1.00 C ATOM 0 H LEU A 20 3.037 -5.330 -2.283 1.00 1.00 H new ATOM 0 HA LEU A 20 1.843 -7.232 -0.561 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.589 -4.695 -1.662 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.212 -5.502 -0.154 1.00 1.00 H new ATOM 0 HG LEU A 20 2.793 -4.079 -0.811 1.00 1.00 H new ATOM 0 HD11 LEU A 20 1.979 -2.426 0.914 1.00 1.00 H new ATOM 0 HD12 LEU A 20 0.861 -2.547 -0.466 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.475 -3.364 1.067 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.368 -4.288 1.578 1.00 1.00 H new ATOM 0 HD22 LEU A 20 1.930 -5.308 1.823 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.249 -5.867 0.767 1.00 1.00 H new ATOM 292 N ARG A 21 0.772 -7.387 -3.588 1.00 1.00 N ATOM 293 CA ARG A 21 -0.039 -8.192 -4.532 1.00 1.00 C ATOM 294 C ARG A 21 0.060 -9.712 -4.288 1.00 1.00 C ATOM 295 O ARG A 21 -0.692 -10.487 -4.874 1.00 1.00 O ATOM 296 CB ARG A 21 0.362 -7.825 -5.974 1.00 1.00 C ATOM 297 CG ARG A 21 -0.755 -8.078 -7.001 1.00 1.00 C ATOM 298 CD ARG A 21 -0.281 -7.825 -8.438 1.00 1.00 C ATOM 299 NE ARG A 21 0.083 -6.414 -8.680 1.00 1.00 N ATOM 300 CZ ARG A 21 0.098 -5.810 -9.858 1.00 1.00 C ATOM 301 NH1 ARG A 21 -0.261 -6.411 -10.961 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.473 -4.567 -9.960 1.00 1.00 N ATOM 0 H ARG A 21 1.529 -6.884 -4.050 1.00 1.00 H new ATOM 0 HA ARG A 21 -1.087 -7.947 -4.363 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.645 -6.773 -6.008 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.243 -8.402 -6.256 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.105 -9.106 -6.910 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.604 -7.431 -6.780 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.580 -8.459 -8.649 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -1.069 -8.117 -9.132 1.00 1.00 H new ATOM 0 HE ARG A 21 0.346 -5.856 -7.868 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -0.568 -7.383 -10.935 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -0.234 -5.908 -11.848 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.758 -4.050 -9.128 1.00 1.00 H new ATOM 0 HH22 ARG A 21 0.481 -4.110 -10.872 1.00 1.00 H new ATOM 316 N GLY A 22 0.963 -10.145 -3.405 1.00 1.00 N ATOM 317 CA GLY A 22 1.058 -11.519 -2.898 1.00 1.00 C ATOM 318 C GLY A 22 0.541 -11.680 -1.462 1.00 1.00 C ATOM 319 O GLY A 22 0.907 -12.654 -0.799 1.00 1.00 O ATOM 0 H GLY A 22 1.673 -9.529 -3.009 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.493 -12.180 -3.555 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.098 -11.842 -2.939 1.00 1.00 H new ATOM 323 N ARG A 23 -0.270 -10.732 -0.958 1.00 1.00 N ATOM 324 CA ARG A 23 -0.704 -10.654 0.449 1.00 1.00 C ATOM 325 C ARG A 23 -2.216 -10.459 0.614 1.00 1.00 C ATOM 326 O ARG A 23 -2.928 -9.992 -0.279 1.00 1.00 O ATOM 327 CB ARG A 23 0.047 -9.531 1.183 1.00 1.00 C ATOM 328 CG ARG A 23 1.576 -9.655 1.103 1.00 1.00 C ATOM 329 CD ARG A 23 2.188 -8.659 2.087 1.00 1.00 C ATOM 330 NE ARG A 23 3.635 -8.487 1.877 1.00 1.00 N ATOM 331 CZ ARG A 23 4.482 -7.925 2.724 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.127 -7.510 3.912 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.729 -7.759 2.386 1.00 1.00 N ATOM 0 H ARG A 23 -0.651 -9.980 -1.532 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.460 -11.620 0.892 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.253 -8.571 0.763 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.254 -9.529 2.231 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.888 -10.671 1.346 1.00 1.00 H new ATOM 0 HG3 ARG A 23 1.922 -9.450 0.090 1.00 1.00 H new ATOM 0 HD2 ARG A 23 1.690 -7.695 1.982 1.00 1.00 H new ATOM 0 HD3 ARG A 23 2.009 -9.001 3.106 1.00 1.00 H new ATOM 0 HE ARG A 23 4.020 -8.833 0.998 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.160 -7.614 4.221 1.00 1.00 H new ATOM 0 HH12 ARG A 23 4.817 -7.083 4.530 1.00 1.00 H new ATOM 0 HH21 ARG A 23 6.053 -8.062 1.468 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.381 -7.326 3.040 1.00 1.00 H new ATOM 347 N LEU A 24 -2.680 -10.809 1.810 1.00 1.00 N ATOM 348 CA LEU A 24 -4.069 -10.746 2.270 1.00 1.00 C ATOM 349 C LEU A 24 -4.286 -9.452 3.082 1.00 1.00 C ATOM 350 O LEU A 24 -3.370 -8.944 3.733 1.00 1.00 O ATOM 351 CB LEU A 24 -4.288 -12.013 3.127 1.00 1.00 C ATOM 352 CG LEU A 24 -5.744 -12.478 3.288 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.277 -13.117 2.003 1.00 1.00 C ATOM 354 CD2 LEU A 24 -5.810 -13.550 4.378 1.00 1.00 C ATOM 0 H LEU A 24 -2.057 -11.168 2.533 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.784 -10.720 1.447 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -3.714 -12.828 2.686 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -3.874 -11.832 4.119 1.00 1.00 H new ATOM 0 HG LEU A 24 -6.342 -11.601 3.537 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -7.309 -13.433 2.155 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -6.236 -12.391 1.191 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.666 -13.983 1.747 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -6.841 -13.884 4.497 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -5.184 -14.396 4.094 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -5.452 -13.134 5.320 1.00 1.00 H new ATOM 366 N GLY A 25 -5.508 -8.932 3.061 1.00 1.00 N ATOM 367 CA GLY A 25 -5.915 -7.658 3.651 1.00 1.00 C ATOM 368 C GLY A 25 -7.317 -7.673 4.269 1.00 1.00 C ATOM 369 O GLY A 25 -7.984 -8.709 4.341 1.00 1.00 O ATOM 0 H GLY A 25 -6.285 -9.413 2.608 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.194 -7.379 4.420 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.877 -6.886 2.883 1.00 1.00 H new ATOM 373 N LYS A 26 -7.759 -6.495 4.716 1.00 1.00 N ATOM 374 CA LYS A 26 -8.953 -6.241 5.525 1.00 1.00 C ATOM 375 C LYS A 26 -9.579 -4.912 5.110 1.00 1.00 C ATOM 376 O LYS A 26 -8.936 -3.869 5.219 1.00 1.00 O ATOM 377 CB LYS A 26 -8.494 -6.221 6.992 1.00 1.00 C ATOM 378 CG LYS A 26 -9.582 -5.906 8.033 1.00 1.00 C ATOM 379 CD LYS A 26 -10.800 -6.841 8.002 1.00 1.00 C ATOM 380 CE LYS A 26 -10.396 -8.320 8.069 1.00 1.00 C ATOM 381 NZ LYS A 26 -11.570 -9.198 8.243 1.00 1.00 N ATOM 0 H LYS A 26 -7.256 -5.633 4.507 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.714 -7.009 5.384 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -8.061 -7.193 7.230 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.698 -5.484 7.093 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -9.136 -5.948 9.027 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.924 -4.883 7.880 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.457 -6.607 8.840 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.370 -6.663 7.090 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -9.868 -8.595 7.156 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.703 -8.471 8.896 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -11.353 -10.145 7.873 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -11.805 -9.267 9.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -12.380 -8.801 7.725 1.00 1.00 H new ATOM 395 N VAL A 27 -10.801 -4.954 4.580 1.00 1.00 N ATOM 396 CA VAL A 27 -11.543 -3.756 4.124 1.00 1.00 C ATOM 397 C VAL A 27 -12.064 -2.943 5.314 1.00 1.00 C ATOM 398 O VAL A 27 -12.639 -3.496 6.252 1.00 1.00 O ATOM 399 CB VAL A 27 -12.671 -4.136 3.137 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.553 -2.954 2.721 1.00 1.00 C ATOM 401 CG2 VAL A 27 -12.010 -4.686 1.871 1.00 1.00 C ATOM 0 H VAL A 27 -11.317 -5.824 4.449 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.849 -3.116 3.579 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.313 -4.857 3.642 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.321 -3.299 2.028 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -14.027 -2.525 3.604 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.940 -2.196 2.234 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.779 -4.965 1.151 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.365 -3.922 1.436 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.414 -5.563 2.123 1.00 1.00 H new ATOM 411 N ILE A 28 -11.875 -1.621 5.255 1.00 1.00 N ATOM 412 CA ILE A 28 -12.157 -0.655 6.344 1.00 1.00 C ATOM 413 C ILE A 28 -13.098 0.491 5.920 1.00 1.00 C ATOM 414 O ILE A 28 -13.657 1.180 6.773 1.00 1.00 O ATOM 415 CB ILE A 28 -10.844 -0.091 6.930 1.00 1.00 C ATOM 416 CG1 ILE A 28 -10.117 0.815 5.901 1.00 1.00 C ATOM 417 CG2 ILE A 28 -10.004 -1.244 7.510 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.587 0.770 5.888 1.00 1.00 C ATOM 0 H ILE A 28 -11.507 -1.168 4.419 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.684 -1.215 7.116 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.050 0.576 7.767 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.471 0.547 4.906 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -10.423 1.845 6.082 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.077 -0.847 7.924 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.568 -1.745 8.297 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.772 -1.958 6.720 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.210 1.449 5.124 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.206 1.073 6.863 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -8.255 -0.245 5.668 1.00 1.00 H new ATOM 430 N THR A 29 -13.316 0.648 4.612 1.00 1.00 N ATOM 431 CA THR A 29 -14.331 1.518 3.992 1.00 1.00 C ATOM 432 C THR A 29 -14.880 0.736 2.804 1.00 1.00 C ATOM 433 O THR A 29 -14.095 0.231 2.003 1.00 1.00 O ATOM 434 CB THR A 29 -13.749 2.867 3.526 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.195 3.567 4.620 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.801 3.778 2.892 1.00 1.00 C ATOM 0 H THR A 29 -12.763 0.148 3.916 1.00 1.00 H new ATOM 0 HA THR A 29 -15.106 1.768 4.717 1.00 1.00 H new ATOM 0 HB THR A 29 -12.992 2.624 2.781 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.469 4.145 4.305 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.334 4.713 2.583 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.234 3.284 2.022 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.586 3.987 3.618 1.00 1.00 H new ATOM 444 N ALA A 30 -16.203 0.580 2.719 1.00 1.00 N ATOM 445 CA ALA A 30 -16.858 -0.317 1.771 1.00 1.00 C ATOM 446 C ALA A 30 -16.490 -0.026 0.304 1.00 1.00 C ATOM 447 O ALA A 30 -16.392 1.132 -0.109 1.00 1.00 O ATOM 448 CB ALA A 30 -18.373 -0.250 1.994 1.00 1.00 C ATOM 0 H ALA A 30 -16.858 1.083 3.318 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.499 -1.329 1.959 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.874 -0.916 1.291 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.605 -0.558 3.014 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.719 0.771 1.836 1.00 1.00 H new ATOM 454 N VAL A 31 -16.338 -1.089 -0.486 1.00 1.00 N ATOM 455 CA VAL A 31 -15.854 -1.065 -1.872 1.00 1.00 C ATOM 456 C VAL A 31 -16.964 -1.634 -2.765 1.00 1.00 C ATOM 457 O VAL A 31 -17.089 -2.856 -2.857 1.00 1.00 O ATOM 458 CB VAL A 31 -14.554 -1.887 -2.020 1.00 1.00 C ATOM 459 CG1 VAL A 31 -13.994 -1.746 -3.432 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.438 -1.496 -1.045 1.00 1.00 C ATOM 0 H VAL A 31 -16.558 -2.032 -0.166 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.618 -0.043 -2.168 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.850 -2.912 -1.794 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.078 -2.331 -3.520 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.727 -2.109 -4.152 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.776 -0.697 -3.634 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.565 -2.124 -1.221 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.170 -0.451 -1.199 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.784 -1.635 -0.021 1.00 1.00 H new ATOM 470 N PRO A 32 -17.839 -0.802 -3.359 1.00 1.00 N ATOM 471 CA PRO A 32 -18.962 -1.292 -4.153 1.00 1.00 C ATOM 472 C PRO A 32 -18.518 -1.875 -5.503 1.00 1.00 C ATOM 473 O PRO A 32 -17.373 -1.715 -5.933 1.00 1.00 O ATOM 474 CB PRO A 32 -19.909 -0.098 -4.301 1.00 1.00 C ATOM 475 CG PRO A 32 -18.945 1.075 -4.292 1.00 1.00 C ATOM 476 CD PRO A 32 -17.861 0.651 -3.300 1.00 1.00 C ATOM 0 HA PRO A 32 -19.461 -2.128 -3.663 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.484 -0.146 -5.226 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.626 -0.043 -3.482 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.530 1.259 -5.283 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.438 1.995 -3.977 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -16.892 1.071 -3.571 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.089 1.001 -2.293 1.00 1.00 H new ATOM 484 N VAL A 33 -19.465 -2.524 -6.189 1.00 1.00 N ATOM 485 CA VAL A 33 -19.245 -3.346 -7.399 1.00 1.00 C ATOM 486 C VAL A 33 -18.549 -2.627 -8.566 1.00 1.00 C ATOM 487 O VAL A 33 -17.961 -3.275 -9.431 1.00 1.00 O ATOM 488 CB VAL A 33 -20.569 -3.964 -7.898 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.309 -4.735 -6.797 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.552 -2.930 -8.467 1.00 1.00 C ATOM 0 H VAL A 33 -20.446 -2.494 -5.911 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.555 -4.123 -7.069 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.255 -4.641 -8.693 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.233 -5.149 -7.201 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.677 -5.545 -6.433 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.543 -4.059 -5.974 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.460 -3.435 -8.798 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.802 -2.203 -7.695 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.092 -2.418 -9.312 1.00 1.00 H new ATOM 500 N ASP A 34 -18.611 -1.295 -8.594 1.00 1.00 N ATOM 501 CA ASP A 34 -18.073 -0.413 -9.638 1.00 1.00 C ATOM 502 C ASP A 34 -17.448 0.878 -9.056 1.00 1.00 C ATOM 503 O ASP A 34 -17.397 1.909 -9.731 1.00 1.00 O ATOM 504 CB ASP A 34 -19.184 -0.115 -10.668 1.00 1.00 C ATOM 505 CG ASP A 34 -20.260 0.870 -10.176 1.00 1.00 C ATOM 506 OD1 ASP A 34 -20.665 0.781 -8.991 1.00 1.00 O ATOM 507 OD2 ASP A 34 -20.702 1.707 -10.998 1.00 1.00 O ATOM 0 H ASP A 34 -19.064 -0.769 -7.846 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.254 -0.925 -10.142 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -18.726 0.288 -11.572 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -19.666 -1.052 -10.945 1.00 1.00 H new ATOM 512 N GLY A 35 -17.011 0.839 -7.789 1.00 1.00 N ATOM 513 CA GLY A 35 -16.563 2.015 -7.025 1.00 1.00 C ATOM 514 C GLY A 35 -15.345 1.767 -6.126 1.00 1.00 C ATOM 515 O GLY A 35 -14.607 0.796 -6.305 1.00 1.00 O ATOM 0 H GLY A 35 -16.958 -0.028 -7.255 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.325 2.817 -7.724 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.389 2.366 -6.407 1.00 1.00 H new ATOM 519 N PHE A 36 -15.150 2.657 -5.148 1.00 1.00 N ATOM 520 CA PHE A 36 -13.942 2.745 -4.318 1.00 1.00 C ATOM 521 C PHE A 36 -14.254 2.762 -2.812 1.00 1.00 C ATOM 522 O PHE A 36 -15.246 3.347 -2.370 1.00 1.00 O ATOM 523 CB PHE A 36 -13.140 4.017 -4.657 1.00 1.00 C ATOM 524 CG PHE A 36 -12.774 4.242 -6.115 1.00 1.00 C ATOM 525 CD1 PHE A 36 -13.733 4.739 -7.019 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.457 4.012 -6.559 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.392 4.959 -8.365 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.112 4.242 -7.904 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.083 4.708 -8.809 1.00 1.00 C ATOM 0 H PHE A 36 -15.849 3.358 -4.904 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.360 1.851 -4.541 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.714 4.879 -4.316 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.218 3.999 -4.076 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -14.735 4.952 -6.677 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.709 3.658 -5.865 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.137 5.321 -9.058 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.102 4.061 -8.241 1.00 1.00 H new ATOM 0 HZ PHE A 36 -11.822 4.873 -9.844 1.00 1.00 H new ATOM 539 N GLY A 37 -13.360 2.153 -2.036 1.00 1.00 N ATOM 540 CA GLY A 37 -13.294 2.190 -0.571 1.00 1.00 C ATOM 541 C GLY A 37 -11.837 2.095 -0.105 1.00 1.00 C ATOM 542 O GLY A 37 -10.949 2.652 -0.749 1.00 1.00 O ATOM 0 H GLY A 37 -12.614 1.584 -2.436 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.742 3.113 -0.203 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.872 1.366 -0.153 1.00 1.00 H new ATOM 546 N GLU A 38 -11.567 1.405 1.005 1.00 1.00 N ATOM 547 CA GLU A 38 -10.224 1.313 1.610 1.00 1.00 C ATOM 548 C GLU A 38 -9.940 -0.062 2.233 1.00 1.00 C ATOM 549 O GLU A 38 -10.847 -0.767 2.676 1.00 1.00 O ATOM 550 CB GLU A 38 -10.046 2.380 2.705 1.00 1.00 C ATOM 551 CG GLU A 38 -9.876 3.811 2.188 1.00 1.00 C ATOM 552 CD GLU A 38 -9.818 4.804 3.352 1.00 1.00 C ATOM 553 OE1 GLU A 38 -8.708 5.007 3.901 1.00 1.00 O ATOM 554 OE2 GLU A 38 -10.888 5.361 3.699 1.00 1.00 O ATOM 0 H GLU A 38 -12.279 0.886 1.520 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.520 1.474 0.793 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.912 2.349 3.367 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.175 2.121 3.307 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -8.963 3.883 1.596 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -10.705 4.065 1.528 1.00 1.00 H new ATOM 561 N VAL A 39 -8.653 -0.401 2.330 1.00 1.00 N ATOM 562 CA VAL A 39 -8.118 -1.683 2.817 1.00 1.00 C ATOM 563 C VAL A 39 -6.801 -1.494 3.585 1.00 1.00 C ATOM 564 O VAL A 39 -6.091 -0.509 3.384 1.00 1.00 O ATOM 565 CB VAL A 39 -7.930 -2.630 1.607 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.738 -2.236 0.724 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.785 -4.101 1.996 1.00 1.00 C ATOM 0 H VAL A 39 -7.912 0.244 2.057 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.825 -2.122 3.521 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.853 -2.514 1.040 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.655 -2.935 -0.108 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.889 -1.228 0.338 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.822 -2.265 1.315 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.657 -4.704 1.097 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.915 -4.223 2.642 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.679 -4.427 2.527 1.00 1.00 H new ATOM 577 N VAL A 40 -6.455 -2.461 4.434 1.00 1.00 N ATOM 578 CA VAL A 40 -5.148 -2.608 5.115 1.00 1.00 C ATOM 579 C VAL A 40 -4.639 -4.031 4.885 1.00 1.00 C ATOM 580 O VAL A 40 -5.448 -4.954 4.861 1.00 1.00 O ATOM 581 CB VAL A 40 -5.231 -2.402 6.648 1.00 1.00 C ATOM 582 CG1 VAL A 40 -3.881 -1.942 7.205 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.277 -1.384 7.092 1.00 1.00 C ATOM 0 H VAL A 40 -7.105 -3.206 4.685 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.489 -1.845 4.701 1.00 1.00 H new ATOM 0 HB VAL A 40 -5.523 -3.377 7.039 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -3.961 -1.803 8.283 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.123 -2.696 6.991 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -3.597 -0.999 6.738 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.267 -1.303 8.179 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -6.049 -0.413 6.653 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.264 -1.708 6.762 1.00 1.00 H new ATOM 593 N ILE A 41 -3.330 -4.249 4.749 1.00 1.00 N ATOM 594 CA ILE A 41 -2.757 -5.612 4.749 1.00 1.00 C ATOM 595 C ILE A 41 -2.823 -6.197 6.170 1.00 1.00 C ATOM 596 O ILE A 41 -2.722 -5.465 7.153 1.00 1.00 O ATOM 597 CB ILE A 41 -1.324 -5.583 4.175 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.324 -5.136 2.700 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.562 -6.917 4.301 1.00 1.00 C ATOM 600 CD1 ILE A 41 -2.151 -5.979 1.721 1.00 1.00 C ATOM 0 H ILE A 41 -2.641 -3.506 4.637 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.340 -6.268 4.103 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.794 -4.857 4.791 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.689 -4.110 2.656 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.292 -5.123 2.349 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.435 -6.808 3.873 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.478 -7.190 5.353 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.103 -7.697 3.766 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -2.067 -5.559 0.719 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.778 -7.003 1.718 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -3.196 -5.974 2.030 1.00 1.00 H new ATOM 612 N GLU A 42 -2.987 -7.516 6.278 1.00 1.00 N ATOM 613 CA GLU A 42 -3.290 -8.244 7.530 1.00 1.00 C ATOM 614 C GLU A 42 -2.287 -8.067 8.693 1.00 1.00 C ATOM 615 O GLU A 42 -2.635 -8.340 9.841 1.00 1.00 O ATOM 616 CB GLU A 42 -3.487 -9.739 7.218 1.00 1.00 C ATOM 617 CG GLU A 42 -4.872 -10.057 6.634 1.00 1.00 C ATOM 618 CD GLU A 42 -5.952 -10.136 7.722 1.00 1.00 C ATOM 619 OE1 GLU A 42 -6.478 -9.066 8.108 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.250 -11.267 8.174 1.00 1.00 O ATOM 0 H GLU A 42 -2.912 -8.137 5.472 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.205 -7.785 7.904 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.720 -10.061 6.514 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.343 -10.316 8.131 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.144 -9.290 5.909 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.830 -11.004 6.096 1.00 1.00 H new ATOM 627 N GLY A 43 -1.077 -7.555 8.442 1.00 1.00 N ATOM 628 CA GLY A 43 -0.104 -7.136 9.464 1.00 1.00 C ATOM 629 C GLY A 43 -0.449 -5.805 10.149 1.00 1.00 C ATOM 630 O GLY A 43 0.450 -4.997 10.377 1.00 1.00 O ATOM 0 H GLY A 43 -0.734 -7.415 7.492 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -0.032 -7.915 10.223 1.00 1.00 H new ATOM 0 HA3 GLY A 43 0.879 -7.050 9.001 1.00 1.00 H new ATOM 634 N ILE A 44 -1.731 -5.566 10.454 1.00 1.00 N ATOM 635 CA ILE A 44 -2.322 -4.289 10.917 1.00 1.00 C ATOM 636 C ILE A 44 -1.571 -3.550 12.040 1.00 1.00 C ATOM 637 O ILE A 44 -1.667 -2.325 12.137 1.00 1.00 O ATOM 638 CB ILE A 44 -3.832 -4.423 11.234 1.00 1.00 C ATOM 639 CG1 ILE A 44 -4.179 -5.129 12.563 1.00 1.00 C ATOM 640 CG2 ILE A 44 -4.611 -5.019 10.046 1.00 1.00 C ATOM 641 CD1 ILE A 44 -3.769 -6.601 12.686 1.00 1.00 C ATOM 0 H ILE A 44 -2.434 -6.302 10.382 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.199 -3.637 10.052 1.00 1.00 H new ATOM 0 HB ILE A 44 -4.164 -3.396 11.390 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -3.709 -4.575 13.376 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -5.257 -5.062 12.713 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -5.667 -5.098 10.306 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.499 -4.372 9.176 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.219 -6.010 9.814 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -4.068 -6.981 13.663 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -4.260 -7.182 11.905 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -2.688 -6.688 12.578 1.00 1.00 H new ATOM 653 N GLY A 45 -0.811 -4.264 12.879 1.00 1.00 N ATOM 654 CA GLY A 45 0.092 -3.683 13.884 1.00 1.00 C ATOM 655 C GLY A 45 1.255 -2.840 13.319 1.00 1.00 C ATOM 656 O GLY A 45 1.854 -2.067 14.071 1.00 1.00 O ATOM 0 H GLY A 45 -0.805 -5.284 12.879 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -0.495 -3.057 14.557 1.00 1.00 H new ATOM 0 HA3 GLY A 45 0.510 -4.492 14.484 1.00 1.00 H new ATOM 660 N GLY A 46 1.573 -2.957 12.021 1.00 1.00 N ATOM 661 CA GLY A 46 2.658 -2.209 11.362 1.00 1.00 C ATOM 662 C GLY A 46 2.483 -1.905 9.861 1.00 1.00 C ATOM 663 O GLY A 46 3.255 -1.112 9.317 1.00 1.00 O ATOM 0 H GLY A 46 1.076 -3.584 11.388 1.00 1.00 H new ATOM 0 HA2 GLY A 46 2.785 -1.262 11.887 1.00 1.00 H new ATOM 0 HA3 GLY A 46 3.583 -2.771 11.489 1.00 1.00 H new ATOM 667 N THR A 47 1.494 -2.494 9.179 1.00 1.00 N ATOM 668 CA THR A 47 1.122 -2.172 7.782 1.00 1.00 C ATOM 669 C THR A 47 0.408 -0.810 7.650 1.00 1.00 C ATOM 670 O THR A 47 0.202 -0.095 8.636 1.00 1.00 O ATOM 671 CB THR A 47 0.252 -3.295 7.186 1.00 1.00 C ATOM 672 OG1 THR A 47 -0.860 -3.518 8.014 1.00 1.00 O ATOM 673 CG2 THR A 47 1.031 -4.602 7.035 1.00 1.00 C ATOM 0 H THR A 47 0.912 -3.226 9.586 1.00 1.00 H new ATOM 0 HA THR A 47 2.052 -2.095 7.218 1.00 1.00 H new ATOM 0 HB THR A 47 -0.067 -2.973 6.195 1.00 1.00 H new ATOM 0 HG1 THR A 47 -1.431 -4.207 7.616 1.00 1.00 H new ATOM 0 HG21 THR A 47 0.380 -5.367 6.611 1.00 1.00 H new ATOM 0 HG22 THR A 47 1.883 -4.444 6.374 1.00 1.00 H new ATOM 0 HG23 THR A 47 1.386 -4.929 8.012 1.00 1.00 H new ATOM 681 N ILE A 48 0.032 -0.433 6.420 1.00 1.00 N ATOM 682 CA ILE A 48 -0.473 0.899 6.040 1.00 1.00 C ATOM 683 C ILE A 48 -1.797 0.749 5.270 1.00 1.00 C ATOM 684 O ILE A 48 -1.920 -0.122 4.405 1.00 1.00 O ATOM 685 CB ILE A 48 0.592 1.624 5.174 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.967 1.784 5.870 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.105 2.998 4.684 1.00 1.00 C ATOM 688 CD1 ILE A 48 1.974 2.695 7.105 1.00 1.00 C ATOM 0 H ILE A 48 0.072 -1.073 5.627 1.00 1.00 H new ATOM 0 HA ILE A 48 -0.661 1.495 6.933 1.00 1.00 H new ATOM 0 HB ILE A 48 0.735 0.965 4.318 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.324 0.797 6.165 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.679 2.177 5.145 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.884 3.467 4.083 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.793 2.871 4.080 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.121 3.631 5.542 1.00 1.00 H new ATOM 0 HD11 ILE A 48 2.982 2.740 7.518 1.00 1.00 H new ATOM 0 HD12 ILE A 48 1.653 3.697 6.820 1.00 1.00 H new ATOM 0 HD13 ILE A 48 1.292 2.296 7.856 1.00 1.00 H new ATOM 700 N SER A 49 -2.790 1.588 5.580 1.00 1.00 N ATOM 701 CA SER A 49 -4.069 1.651 4.855 1.00 1.00 C ATOM 702 C SER A 49 -3.928 2.306 3.472 1.00 1.00 C ATOM 703 O SER A 49 -3.136 3.233 3.279 1.00 1.00 O ATOM 704 CB SER A 49 -5.130 2.405 5.671 1.00 1.00 C ATOM 705 OG SER A 49 -4.630 3.645 6.157 1.00 1.00 O ATOM 0 H SER A 49 -2.730 2.253 6.351 1.00 1.00 H new ATOM 0 HA SER A 49 -4.388 0.619 4.709 1.00 1.00 H new ATOM 0 HB2 SER A 49 -6.008 2.584 5.051 1.00 1.00 H new ATOM 0 HB3 SER A 49 -5.452 1.788 6.510 1.00 1.00 H new ATOM 0 HG SER A 49 -5.329 4.101 6.670 1.00 1.00 H new ATOM 711 N LYS A 50 -4.723 1.837 2.504 1.00 1.00 N ATOM 712 CA LYS A 50 -4.703 2.251 1.089 1.00 1.00 C ATOM 713 C LYS A 50 -6.124 2.314 0.516 1.00 1.00 C ATOM 714 O LYS A 50 -7.040 1.690 1.055 1.00 1.00 O ATOM 715 CB LYS A 50 -3.880 1.233 0.269 1.00 1.00 C ATOM 716 CG LYS A 50 -2.423 0.998 0.708 1.00 1.00 C ATOM 717 CD LYS A 50 -1.511 2.206 0.460 1.00 1.00 C ATOM 718 CE LYS A 50 -0.098 1.908 0.971 1.00 1.00 C ATOM 719 NZ LYS A 50 0.847 2.969 0.567 1.00 1.00 N ATOM 0 H LYS A 50 -5.431 1.127 2.690 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.254 3.242 1.028 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.401 0.276 0.296 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.872 1.562 -0.770 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.406 0.751 1.770 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -2.025 0.135 0.174 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.481 2.437 -0.605 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -1.912 3.085 0.965 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -0.111 1.823 2.058 1.00 1.00 H new ATOM 0 HE3 LYS A 50 0.239 0.948 0.580 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.752 2.835 1.062 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 1.004 2.921 -0.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.451 3.899 0.814 1.00 1.00 H new ATOM 733 N SER A 51 -6.305 3.034 -0.592 1.00 1.00 N ATOM 734 CA SER A 51 -7.552 3.004 -1.372 1.00 1.00 C ATOM 735 C SER A 51 -7.721 1.640 -2.050 1.00 1.00 C ATOM 736 O SER A 51 -6.734 0.972 -2.369 1.00 1.00 O ATOM 737 CB SER A 51 -7.540 4.130 -2.412 1.00 1.00 C ATOM 738 OG SER A 51 -8.779 4.195 -3.098 1.00 1.00 O ATOM 0 H SER A 51 -5.594 3.656 -0.977 1.00 1.00 H new ATOM 0 HA SER A 51 -8.398 3.157 -0.702 1.00 1.00 H new ATOM 0 HB2 SER A 51 -7.341 5.083 -1.921 1.00 1.00 H new ATOM 0 HB3 SER A 51 -6.733 3.964 -3.125 1.00 1.00 H new ATOM 0 HG SER A 51 -8.751 4.921 -3.756 1.00 1.00 H new ATOM 744 N ALA A 52 -8.966 1.220 -2.270 1.00 1.00 N ATOM 745 CA ALA A 52 -9.292 -0.093 -2.826 1.00 1.00 C ATOM 746 C ALA A 52 -10.476 -0.069 -3.808 1.00 1.00 C ATOM 747 O ALA A 52 -11.439 0.673 -3.614 1.00 1.00 O ATOM 748 CB ALA A 52 -9.560 -1.058 -1.665 1.00 1.00 C ATOM 0 H ALA A 52 -9.787 1.789 -2.065 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.439 -0.429 -3.416 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.805 -2.044 -2.060 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.671 -1.129 -1.038 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.395 -0.688 -1.070 1.00 1.00 H new ATOM 754 N VAL A 53 -10.426 -0.948 -4.816 1.00 1.00 N ATOM 755 CA VAL A 53 -11.501 -1.255 -5.782 1.00 1.00 C ATOM 756 C VAL A 53 -11.733 -2.771 -5.865 1.00 1.00 C ATOM 757 O VAL A 53 -10.819 -3.555 -5.598 1.00 1.00 O ATOM 758 CB VAL A 53 -11.210 -0.696 -7.192 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.088 0.828 -7.168 1.00 1.00 C ATOM 760 CG2 VAL A 53 -9.952 -1.273 -7.856 1.00 1.00 C ATOM 0 H VAL A 53 -9.587 -1.499 -4.994 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.401 -0.764 -5.413 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.066 -1.008 -7.790 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -10.883 1.193 -8.175 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.021 1.262 -6.808 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.273 1.117 -6.504 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -9.823 -0.826 -8.842 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.081 -1.050 -7.240 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.057 -2.353 -7.958 1.00 1.00 H new ATOM 770 N SER A 54 -12.939 -3.210 -6.243 1.00 1.00 N ATOM 771 CA SER A 54 -13.211 -4.640 -6.453 1.00 1.00 C ATOM 772 C SER A 54 -12.682 -5.105 -7.814 1.00 1.00 C ATOM 773 O SER A 54 -13.069 -4.579 -8.860 1.00 1.00 O ATOM 774 CB SER A 54 -14.703 -4.963 -6.347 1.00 1.00 C ATOM 775 OG SER A 54 -14.863 -6.373 -6.446 1.00 1.00 O ATOM 0 H SER A 54 -13.740 -2.601 -6.410 1.00 1.00 H new ATOM 0 HA SER A 54 -12.689 -5.177 -5.660 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.103 -4.601 -5.400 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.257 -4.461 -7.140 1.00 1.00 H new ATOM 0 HG SER A 54 -15.135 -6.733 -5.576 1.00 1.00 H new ATOM 781 N PHE A 55 -11.822 -6.125 -7.804 1.00 1.00 N ATOM 782 CA PHE A 55 -11.368 -6.839 -9.004 1.00 1.00 C ATOM 783 C PHE A 55 -12.411 -7.845 -9.541 1.00 1.00 C ATOM 784 O PHE A 55 -12.277 -8.355 -10.654 1.00 1.00 O ATOM 785 CB PHE A 55 -10.059 -7.558 -8.654 1.00 1.00 C ATOM 786 CG PHE A 55 -9.272 -8.083 -9.844 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.505 -7.198 -10.628 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.274 -9.459 -10.151 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.738 -7.685 -11.702 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.507 -9.946 -11.226 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.737 -9.059 -11.999 1.00 1.00 C ATOM 0 H PHE A 55 -11.411 -6.487 -6.944 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.218 -6.113 -9.804 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.425 -6.872 -8.093 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.287 -8.394 -7.992 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.506 -6.142 -10.403 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -9.866 -10.142 -9.559 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.150 -7.003 -12.298 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.510 -11.001 -11.457 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.145 -9.433 -12.821 1.00 1.00 H new ATOM 801 N ASP A 56 -13.463 -8.125 -8.762 1.00 1.00 N ATOM 802 CA ASP A 56 -14.438 -9.201 -8.999 1.00 1.00 C ATOM 803 C ASP A 56 -15.898 -8.687 -9.005 1.00 1.00 C ATOM 804 O ASP A 56 -16.839 -9.460 -8.817 1.00 1.00 O ATOM 805 CB ASP A 56 -14.177 -10.301 -7.953 1.00 1.00 C ATOM 806 CG ASP A 56 -14.959 -11.594 -8.216 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.822 -12.145 -9.335 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.672 -12.052 -7.292 1.00 1.00 O ATOM 0 H ASP A 56 -13.668 -7.590 -7.918 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.305 -9.618 -9.997 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.111 -10.528 -7.934 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.439 -9.922 -6.965 1.00 1.00 H new ATOM 813 N ASN A 57 -16.088 -7.375 -9.204 1.00 1.00 N ATOM 814 CA ASN A 57 -17.362 -6.646 -9.158 1.00 1.00 C ATOM 815 C ASN A 57 -18.272 -7.006 -7.959 1.00 1.00 C ATOM 816 O ASN A 57 -19.491 -7.135 -8.095 1.00 1.00 O ATOM 817 CB ASN A 57 -18.039 -6.656 -10.547 1.00 1.00 C ATOM 818 CG ASN A 57 -18.488 -8.024 -11.049 1.00 1.00 C ATOM 819 OD1 ASN A 57 -17.901 -8.606 -11.951 1.00 1.00 O ATOM 820 ND2 ASN A 57 -19.563 -8.559 -10.516 1.00 1.00 N ATOM 0 H ASN A 57 -15.305 -6.756 -9.415 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.137 -5.603 -8.937 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -18.907 -5.998 -10.513 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -17.345 -6.232 -11.273 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -19.907 -9.458 -10.854 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -20.054 -8.076 -9.764 1.00 1.00 H new ATOM 827 N GLN A 58 -17.674 -7.170 -6.778 1.00 1.00 N ATOM 828 CA GLN A 58 -18.364 -7.433 -5.513 1.00 1.00 C ATOM 829 C GLN A 58 -18.587 -6.143 -4.711 1.00 1.00 C ATOM 830 O GLN A 58 -17.848 -5.171 -4.860 1.00 1.00 O ATOM 831 CB GLN A 58 -17.534 -8.413 -4.666 1.00 1.00 C ATOM 832 CG GLN A 58 -17.282 -9.774 -5.333 1.00 1.00 C ATOM 833 CD GLN A 58 -18.568 -10.473 -5.775 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.397 -10.877 -4.969 1.00 1.00 O ATOM 835 NE2 GLN A 58 -18.798 -10.624 -7.061 1.00 1.00 N ATOM 0 H GLN A 58 -16.661 -7.122 -6.672 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.337 -7.864 -5.748 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.574 -7.952 -4.436 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.045 -8.576 -3.717 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.636 -9.633 -6.200 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -16.746 -10.419 -4.637 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.116 -10.292 -7.743 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.658 -11.073 -7.376 1.00 1.00 H new ATOM 844 N GLN A 59 -19.584 -6.153 -3.822 1.00 1.00 N ATOM 845 CA GLN A 59 -19.854 -5.070 -2.869 1.00 1.00 C ATOM 846 C GLN A 59 -19.201 -5.416 -1.517 1.00 1.00 C ATOM 847 O GLN A 59 -19.821 -6.005 -0.630 1.00 1.00 O ATOM 848 CB GLN A 59 -21.370 -4.815 -2.780 1.00 1.00 C ATOM 849 CG GLN A 59 -21.686 -3.447 -2.154 1.00 1.00 C ATOM 850 CD GLN A 59 -23.177 -3.297 -1.856 1.00 1.00 C ATOM 851 OE1 GLN A 59 -23.966 -2.861 -2.686 1.00 1.00 O ATOM 852 NE2 GLN A 59 -23.626 -3.651 -0.670 1.00 1.00 N ATOM 0 H GLN A 59 -20.240 -6.930 -3.742 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.411 -4.133 -3.205 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.806 -4.867 -3.778 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.836 -5.602 -2.187 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.116 -3.327 -1.233 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -21.368 -2.654 -2.831 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.981 -4.016 0.031 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -24.618 -3.561 -0.453 1.00 1.00 H new ATOM 861 N ILE A 60 -17.903 -5.127 -1.401 1.00 1.00 N ATOM 862 CA ILE A 60 -17.037 -5.557 -0.296 1.00 1.00 C ATOM 863 C ILE A 60 -17.256 -4.640 0.912 1.00 1.00 C ATOM 864 O ILE A 60 -16.735 -3.527 0.961 1.00 1.00 O ATOM 865 CB ILE A 60 -15.547 -5.634 -0.718 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.332 -6.127 -2.171 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.850 -6.567 0.277 1.00 1.00 C ATOM 868 CD1 ILE A 60 -13.864 -6.185 -2.611 1.00 1.00 C ATOM 0 H ILE A 60 -17.407 -4.569 -2.096 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.312 -6.572 -0.011 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.126 -4.629 -0.700 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.768 -7.121 -2.273 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -15.876 -5.469 -2.849 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.795 -6.652 0.018 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.945 -6.161 1.284 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.314 -7.553 0.238 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -13.806 -6.540 -3.640 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.425 -5.189 -2.546 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.316 -6.867 -1.961 1.00 1.00 H new ATOM 880 N SER A 61 -18.089 -5.078 1.857 1.00 1.00 N ATOM 881 CA SER A 61 -18.411 -4.321 3.075 1.00 1.00 C ATOM 882 C SER A 61 -17.233 -4.241 4.065 1.00 1.00 C ATOM 883 O SER A 61 -16.219 -4.933 3.927 1.00 1.00 O ATOM 884 CB SER A 61 -19.647 -4.936 3.744 1.00 1.00 C ATOM 885 OG SER A 61 -20.217 -4.016 4.662 1.00 1.00 O ATOM 0 H SER A 61 -18.566 -5.978 1.801 1.00 1.00 H new ATOM 0 HA SER A 61 -18.623 -3.294 2.778 1.00 1.00 H new ATOM 0 HB2 SER A 61 -20.382 -5.208 2.986 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.370 -5.854 4.263 1.00 1.00 H new ATOM 0 HG SER A 61 -21.006 -4.419 5.081 1.00 1.00 H new ATOM 891 N TYR A 62 -17.383 -3.402 5.091 1.00 1.00 N ATOM 892 CA TYR A 62 -16.466 -3.277 6.227 1.00 1.00 C ATOM 893 C TYR A 62 -16.193 -4.625 6.924 1.00 1.00 C ATOM 894 O TYR A 62 -17.098 -5.447 7.103 1.00 1.00 O ATOM 895 CB TYR A 62 -17.080 -2.283 7.228 1.00 1.00 C ATOM 896 CG TYR A 62 -16.323 -2.164 8.541 1.00 1.00 C ATOM 897 CD1 TYR A 62 -15.224 -1.293 8.637 1.00 1.00 C ATOM 898 CD2 TYR A 62 -16.694 -2.947 9.653 1.00 1.00 C ATOM 899 CE1 TYR A 62 -14.485 -1.208 9.832 1.00 1.00 C ATOM 900 CE2 TYR A 62 -15.959 -2.868 10.852 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.849 -1.997 10.945 1.00 1.00 C ATOM 902 OH TYR A 62 -14.130 -1.912 12.097 1.00 1.00 O ATOM 0 H TYR A 62 -18.177 -2.766 5.157 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.505 -2.922 5.856 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -17.129 -1.299 6.761 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -18.105 -2.587 7.440 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -14.945 -0.685 7.789 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -17.544 -3.609 9.585 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -13.640 -0.539 9.898 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -16.243 -3.473 11.700 1.00 1.00 H new ATOM 0 HH TYR A 62 -14.511 -2.518 12.766 1.00 1.00 H new ATOM 912 N GLY A 63 -14.952 -4.827 7.374 1.00 1.00 N ATOM 913 CA GLY A 63 -14.575 -5.939 8.247 1.00 1.00 C ATOM 914 C GLY A 63 -14.519 -7.319 7.581 1.00 1.00 C ATOM 915 O GLY A 63 -14.785 -8.314 8.257 1.00 1.00 O ATOM 0 H GLY A 63 -14.171 -4.214 7.139 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.597 -5.724 8.677 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.284 -5.984 9.074 1.00 1.00 H new ATOM 919 N THR A 64 -14.161 -7.408 6.292 1.00 1.00 N ATOM 920 CA THR A 64 -14.011 -8.695 5.581 1.00 1.00 C ATOM 921 C THR A 64 -12.600 -8.898 5.036 1.00 1.00 C ATOM 922 O THR A 64 -11.865 -7.937 4.789 1.00 1.00 O ATOM 923 CB THR A 64 -15.070 -8.868 4.484 1.00 1.00 C ATOM 924 OG1 THR A 64 -15.252 -10.245 4.239 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.714 -8.222 3.151 1.00 1.00 C ATOM 0 H THR A 64 -13.967 -6.593 5.710 1.00 1.00 H new ATOM 0 HA THR A 64 -14.177 -9.478 6.321 1.00 1.00 H new ATOM 0 HB THR A 64 -15.965 -8.373 4.860 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.928 -10.366 3.540 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.519 -8.395 2.437 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.577 -7.150 3.291 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.791 -8.659 2.770 1.00 1.00 H new ATOM 933 N THR A 65 -12.220 -10.163 4.874 1.00 1.00 N ATOM 934 CA THR A 65 -10.860 -10.592 4.528 1.00 1.00 C ATOM 935 C THR A 65 -10.729 -10.755 3.015 1.00 1.00 C ATOM 936 O THR A 65 -11.459 -11.527 2.388 1.00 1.00 O ATOM 937 CB THR A 65 -10.506 -11.897 5.252 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.686 -11.730 6.644 1.00 1.00 O ATOM 939 CG2 THR A 65 -9.050 -12.297 5.032 1.00 1.00 C ATOM 0 H THR A 65 -12.867 -10.944 4.982 1.00 1.00 H new ATOM 0 HA THR A 65 -10.157 -9.825 4.854 1.00 1.00 H new ATOM 0 HB THR A 65 -11.159 -12.671 4.848 1.00 1.00 H new ATOM 0 HG1 THR A 65 -10.461 -12.565 7.105 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.844 -13.226 5.563 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.869 -12.440 3.967 1.00 1.00 H new ATOM 0 HG23 THR A 65 -8.396 -11.511 5.409 1.00 1.00 H new ATOM 947 N VAL A 66 -9.768 -10.043 2.430 1.00 1.00 N ATOM 948 CA VAL A 66 -9.606 -9.875 0.977 1.00 1.00 C ATOM 949 C VAL A 66 -8.196 -10.217 0.507 1.00 1.00 C ATOM 950 O VAL A 66 -7.230 -9.969 1.214 1.00 1.00 O ATOM 951 CB VAL A 66 -9.956 -8.433 0.546 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.442 -8.110 0.718 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.175 -7.349 1.307 1.00 1.00 C ATOM 0 H VAL A 66 -9.055 -9.549 2.967 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.297 -10.574 0.506 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.675 -8.413 -0.507 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.631 -7.085 0.400 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.036 -8.793 0.111 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.720 -8.222 1.766 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.476 -6.365 0.948 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.388 -7.428 2.373 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.107 -7.485 1.140 1.00 1.00 H new ATOM 963 N LEU A 67 -8.055 -10.780 -0.690 1.00 1.00 N ATOM 964 CA LEU A 67 -6.758 -10.953 -1.351 1.00 1.00 C ATOM 965 C LEU A 67 -6.535 -9.761 -2.286 1.00 1.00 C ATOM 966 O LEU A 67 -7.400 -9.458 -3.113 1.00 1.00 O ATOM 967 CB LEU A 67 -6.765 -12.290 -2.117 1.00 1.00 C ATOM 968 CG LEU A 67 -5.450 -12.632 -2.841 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.308 -12.901 -1.858 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.643 -13.887 -3.692 1.00 1.00 C ATOM 0 H LEU A 67 -8.842 -11.133 -1.235 1.00 1.00 H new ATOM 0 HA LEU A 67 -5.941 -10.985 -0.630 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -6.995 -13.092 -1.416 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.571 -12.267 -2.851 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.190 -11.772 -3.458 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.400 -13.138 -2.412 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.139 -12.015 -1.246 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.571 -13.741 -1.216 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.711 -14.127 -4.203 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -5.930 -14.721 -3.051 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.426 -13.710 -4.429 1.00 1.00 H new ATOM 982 N VAL A 68 -5.391 -9.080 -2.169 1.00 1.00 N ATOM 983 CA VAL A 68 -4.992 -8.067 -3.159 1.00 1.00 C ATOM 984 C VAL A 68 -4.495 -8.790 -4.411 1.00 1.00 C ATOM 985 O VAL A 68 -3.585 -9.615 -4.330 1.00 1.00 O ATOM 986 CB VAL A 68 -3.910 -7.105 -2.628 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.747 -5.927 -3.594 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.267 -6.543 -1.245 1.00 1.00 C ATOM 0 H VAL A 68 -4.727 -9.208 -1.405 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.861 -7.449 -3.387 1.00 1.00 H new ATOM 0 HB VAL A 68 -2.985 -7.676 -2.546 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -2.982 -5.249 -3.216 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.450 -6.299 -4.574 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.694 -5.393 -3.680 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.477 -5.871 -0.910 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.208 -5.996 -1.306 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.370 -7.363 -0.535 1.00 1.00 H new ATOM 998 N VAL A 69 -5.100 -8.500 -5.563 1.00 1.00 N ATOM 999 CA VAL A 69 -4.902 -9.243 -6.825 1.00 1.00 C ATOM 1000 C VAL A 69 -4.328 -8.386 -7.963 1.00 1.00 C ATOM 1001 O VAL A 69 -3.723 -8.926 -8.890 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.194 -9.963 -7.260 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.429 -11.213 -6.405 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.442 -9.083 -7.164 1.00 1.00 C ATOM 0 H VAL A 69 -5.758 -7.726 -5.655 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.143 -9.996 -6.611 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.042 -10.226 -8.307 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.345 -11.707 -6.727 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.588 -11.897 -6.521 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.521 -10.925 -5.358 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.314 -9.652 -7.485 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.580 -8.758 -6.133 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.322 -8.210 -7.806 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.442 -7.058 -7.884 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.758 -6.088 -8.757 1.00 1.00 C ATOM 1016 C ASP A 70 -3.541 -4.781 -7.969 1.00 1.00 C ATOM 1017 O ASP A 70 -4.157 -4.595 -6.921 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.549 -5.852 -10.058 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.628 -5.608 -11.258 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.912 -4.580 -11.240 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.636 -6.445 -12.191 1.00 1.00 O ATOM 0 H ASP A 70 -5.034 -6.607 -7.186 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.788 -6.485 -9.057 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.183 -6.716 -10.258 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.210 -4.995 -9.929 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.650 -3.889 -8.411 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.215 -2.705 -7.641 1.00 1.00 C ATOM 1028 C ILE A 71 -1.859 -1.546 -8.587 1.00 1.00 C ATOM 1029 O ILE A 71 -1.190 -1.741 -9.604 1.00 1.00 O ATOM 1030 CB ILE A 71 -1.021 -3.082 -6.715 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.455 -4.142 -5.674 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.448 -1.853 -5.993 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.492 -4.434 -4.527 1.00 1.00 C ATOM 0 H ILE A 71 -2.201 -3.964 -9.324 1.00 1.00 H new ATOM 0 HA ILE A 71 -3.036 -2.367 -7.009 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.239 -3.497 -7.351 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.404 -3.823 -5.244 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.643 -5.077 -6.203 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.383 -2.159 -5.357 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -0.095 -1.131 -6.729 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.225 -1.396 -5.380 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.922 -5.194 -3.875 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.455 -4.795 -4.930 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.319 -3.522 -3.956 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.291 -0.328 -8.237 1.00 1.00 N ATOM 1046 CA ASN A 72 -2.124 0.891 -9.033 1.00 1.00 C ATOM 1047 C ASN A 72 -1.839 2.122 -8.140 1.00 1.00 C ATOM 1048 O ASN A 72 -2.753 2.875 -7.795 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.371 1.050 -9.929 1.00 1.00 C ATOM 1050 CG ASN A 72 -3.223 2.154 -10.965 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.011 1.911 -12.145 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -3.320 3.399 -10.561 1.00 1.00 N ATOM 0 H ASN A 72 -2.784 -0.160 -7.360 1.00 1.00 H new ATOM 0 HA ASN A 72 -1.247 0.812 -9.675 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.569 0.106 -10.438 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.237 1.262 -9.302 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -3.219 4.162 -11.231 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.497 3.604 -9.578 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.567 2.332 -7.778 1.00 1.00 N ATOM 1060 CA ASN A 73 -0.027 3.539 -7.118 1.00 1.00 C ATOM 1061 C ASN A 73 -0.907 4.139 -5.988 1.00 1.00 C ATOM 1062 O ASN A 73 -1.279 5.316 -6.016 1.00 1.00 O ATOM 1063 CB ASN A 73 0.338 4.552 -8.224 1.00 1.00 C ATOM 1064 CG ASN A 73 1.202 5.711 -7.741 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.856 5.661 -6.707 1.00 1.00 O ATOM 1066 ND2 ASN A 73 1.252 6.787 -8.493 1.00 1.00 N ATOM 0 H ASN A 73 0.155 1.631 -7.944 1.00 1.00 H new ATOM 0 HA ASN A 73 0.864 3.250 -6.560 1.00 1.00 H new ATOM 0 HB2 ASN A 73 0.863 4.029 -9.023 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.580 4.951 -8.654 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.834 7.577 -8.215 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.709 6.832 -9.355 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.288 3.304 -5.017 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.119 3.667 -3.857 1.00 1.00 C ATOM 1075 C GLY A 74 -3.574 3.195 -3.950 1.00 1.00 C ATOM 1076 O GLY A 74 -4.294 3.250 -2.951 1.00 1.00 O ATOM 0 H GLY A 74 -1.018 2.320 -5.014 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.670 3.246 -2.957 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.108 4.751 -3.742 1.00 1.00 H new ATOM 1080 N VAL A 75 -3.991 2.697 -5.120 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.317 2.124 -5.396 1.00 1.00 C ATOM 1082 C VAL A 75 -5.148 0.632 -5.679 1.00 1.00 C ATOM 1083 O VAL A 75 -4.727 0.220 -6.761 1.00 1.00 O ATOM 1084 CB VAL A 75 -6.029 2.840 -6.564 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.489 2.375 -6.653 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -6.020 4.367 -6.407 1.00 1.00 C ATOM 0 H VAL A 75 -3.385 2.681 -5.940 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.955 2.266 -4.524 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.481 2.582 -7.470 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.984 2.885 -7.480 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.518 1.298 -6.821 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -8.003 2.611 -5.721 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.533 4.823 -7.254 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.530 4.641 -5.484 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.990 4.723 -6.372 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.398 -0.188 -4.665 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.316 -1.645 -4.731 1.00 1.00 C ATOM 1098 C LEU A 76 -6.593 -2.219 -5.368 1.00 1.00 C ATOM 1099 O LEU A 76 -7.691 -1.710 -5.153 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.119 -2.173 -3.294 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.669 -2.104 -2.770 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -3.017 -0.718 -2.828 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.632 -2.574 -1.317 1.00 1.00 C ATOM 0 H LEU A 76 -5.672 0.153 -3.744 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.477 -1.957 -5.353 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.760 -1.603 -2.622 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.456 -3.209 -3.254 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.098 -2.747 -3.439 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -2.001 -0.777 -2.438 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -2.989 -0.372 -3.861 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.597 -0.018 -2.226 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.609 -2.526 -0.945 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.269 -1.931 -0.710 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -3.992 -3.601 -1.258 1.00 1.00 H new ATOM 1115 N SER A 77 -6.470 -3.327 -6.090 1.00 1.00 N ATOM 1116 CA SER A 77 -7.590 -4.104 -6.630 1.00 1.00 C ATOM 1117 C SER A 77 -7.677 -5.403 -5.843 1.00 1.00 C ATOM 1118 O SER A 77 -6.714 -6.172 -5.797 1.00 1.00 O ATOM 1119 CB SER A 77 -7.408 -4.409 -8.117 1.00 1.00 C ATOM 1120 OG SER A 77 -7.221 -3.219 -8.868 1.00 1.00 O ATOM 0 H SER A 77 -5.561 -3.726 -6.326 1.00 1.00 H new ATOM 0 HA SER A 77 -8.507 -3.523 -6.533 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.549 -5.066 -8.253 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.281 -4.944 -8.490 1.00 1.00 H new ATOM 0 HG SER A 77 -7.106 -3.444 -9.815 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.818 -5.645 -5.200 1.00 1.00 N ATOM 1127 CA VAL A 78 -8.978 -6.733 -4.223 1.00 1.00 C ATOM 1128 C VAL A 78 -10.231 -7.570 -4.483 1.00 1.00 C ATOM 1129 O VAL A 78 -11.153 -7.145 -5.180 1.00 1.00 O ATOM 1130 CB VAL A 78 -8.938 -6.190 -2.772 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.798 -5.192 -2.529 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.232 -5.495 -2.337 1.00 1.00 C ATOM 0 H VAL A 78 -9.664 -5.092 -5.339 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.129 -7.405 -4.349 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.785 -7.093 -2.180 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -7.827 -4.851 -1.494 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -6.842 -5.677 -2.724 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -7.914 -4.338 -3.196 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.128 -5.142 -1.311 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.429 -4.648 -2.994 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.061 -6.200 -2.396 1.00 1.00 H new ATOM 1142 N THR A 79 -10.277 -8.767 -3.900 1.00 1.00 N ATOM 1143 CA THR A 79 -11.439 -9.675 -3.949 1.00 1.00 C ATOM 1144 C THR A 79 -11.596 -10.417 -2.610 1.00 1.00 C ATOM 1145 O THR A 79 -10.579 -10.758 -1.998 1.00 1.00 O ATOM 1146 CB THR A 79 -11.301 -10.646 -5.139 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.399 -11.527 -5.177 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.034 -11.505 -5.117 1.00 1.00 C ATOM 0 H THR A 79 -9.495 -9.147 -3.367 1.00 1.00 H new ATOM 0 HA THR A 79 -12.348 -9.093 -4.103 1.00 1.00 H new ATOM 0 HB THR A 79 -11.253 -10.002 -6.017 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.302 -12.138 -5.937 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.021 -12.157 -5.991 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.156 -10.859 -5.133 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.021 -12.112 -4.212 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.822 -10.638 -2.087 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.044 -11.279 -0.789 1.00 1.00 C ATOM 1158 C PRO A 80 -12.717 -12.781 -0.806 1.00 1.00 C ATOM 1159 O PRO A 80 -13.561 -13.633 -1.092 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.487 -10.960 -0.408 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.186 -10.823 -1.761 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.100 -10.209 -2.647 1.00 1.00 C ATOM 0 HA PRO A 80 -12.363 -10.892 -0.031 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.929 -11.754 0.194 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.555 -10.042 0.175 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.521 -11.788 -2.142 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.066 -10.183 -1.698 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.204 -10.545 -3.679 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.175 -9.122 -2.656 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.459 -13.097 -0.491 1.00 1.00 N ATOM 1171 CA HIS A 81 -10.941 -14.461 -0.378 1.00 1.00 C ATOM 1172 C HIS A 81 -11.599 -15.231 0.786 1.00 1.00 C ATOM 1173 O HIS A 81 -11.882 -16.422 0.648 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.416 -14.382 -0.209 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.672 -15.703 -0.222 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.211 -16.971 -0.180 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.311 -15.860 -0.272 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.210 -17.865 -0.209 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.025 -17.233 -0.265 1.00 1.00 N ATOM 0 H HIS A 81 -10.751 -12.388 -0.302 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.185 -15.018 -1.283 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.015 -13.755 -1.005 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.201 -13.877 0.733 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.205 -17.193 -0.134 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.583 -15.063 -0.310 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.338 -18.937 -0.190 1.00 1.00 H new ATOM 1187 N GLU A 82 -11.844 -14.550 1.917 1.00 1.00 N ATOM 1188 CA GLU A 82 -12.388 -15.101 3.176 1.00 1.00 C ATOM 1189 C GLU A 82 -11.922 -16.543 3.525 1.00 1.00 C ATOM 1190 O GLU A 82 -12.756 -17.444 3.683 1.00 1.00 O ATOM 1191 CB GLU A 82 -13.920 -14.932 3.197 1.00 1.00 C ATOM 1192 CG GLU A 82 -14.347 -13.456 3.185 1.00 1.00 C ATOM 1193 CD GLU A 82 -15.872 -13.326 3.285 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -16.417 -13.579 4.387 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -16.505 -12.987 2.255 1.00 1.00 O ATOM 0 H GLU A 82 -11.660 -13.549 1.985 1.00 1.00 H new ATOM 0 HA GLU A 82 -11.957 -14.513 3.987 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.351 -15.439 2.333 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.324 -15.417 4.086 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -13.878 -12.931 4.017 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -13.997 -12.979 2.269 1.00 1.00 H new ATOM 1202 N PRO A 83 -10.598 -16.801 3.629 1.00 1.00 N ATOM 1203 CA PRO A 83 -10.061 -18.127 3.947 1.00 1.00 C ATOM 1204 C PRO A 83 -10.378 -18.565 5.389 1.00 1.00 C ATOM 1205 O PRO A 83 -10.609 -17.738 6.276 1.00 1.00 O ATOM 1206 CB PRO A 83 -8.551 -18.017 3.708 1.00 1.00 C ATOM 1207 CG PRO A 83 -8.250 -16.549 4.000 1.00 1.00 C ATOM 1208 CD PRO A 83 -9.511 -15.834 3.521 1.00 1.00 C ATOM 0 HA PRO A 83 -10.519 -18.894 3.322 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -7.991 -18.680 4.367 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -8.286 -18.285 2.685 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -8.068 -16.378 5.061 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -7.364 -16.205 3.466 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -9.713 -14.953 4.130 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -9.396 -15.491 2.493 1.00 1.00 H new ATOM 1216 N ILE A 84 -10.337 -19.881 5.629 1.00 1.00 N ATOM 1217 CA ILE A 84 -10.661 -20.544 6.909 1.00 1.00 C ATOM 1218 C ILE A 84 -9.589 -21.593 7.243 1.00 1.00 C ATOM 1219 O ILE A 84 -9.171 -22.378 6.380 1.00 1.00 O ATOM 1220 CB ILE A 84 -12.072 -21.187 6.853 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -13.214 -20.184 6.557 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -12.388 -21.965 8.147 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -13.487 -19.134 7.645 1.00 1.00 C ATOM 0 H ILE A 84 -10.065 -20.548 4.907 1.00 1.00 H new ATOM 0 HA ILE A 84 -10.670 -19.795 7.701 1.00 1.00 H new ATOM 0 HB ILE A 84 -12.031 -21.876 6.009 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -12.982 -19.664 5.628 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -14.131 -20.748 6.386 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -13.384 -22.403 8.074 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -11.652 -22.758 8.284 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -12.352 -21.285 8.998 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -14.306 -18.487 7.329 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -13.758 -19.635 8.574 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -12.591 -18.534 7.804 1.00 1.00 H new TER 1235 ILE A 84