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= 0.249 K(o=0.87,f=-0.2) USER MOD Set 1.2: A 61 SER OG : rot 180:sc= 0.623 USER MOD Set 2.1: A 3 HIS : no HE2:sc= -0.17 X(o=-0.17,f=-0.34) USER MOD Set 2.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.0511 (180deg=-0.0511) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 75:sc= 1.04 USER MOD Single : A 8 SER OG : rot -16:sc= 0.188 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -173:sc= 0.884 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= 0.507 (180deg=0.176) USER MOD Single : A 51 SER OG : rot -55:sc= 0.0708 USER MOD Single : A 54 SER OG : rot 100:sc= 0.661 USER MOD Single : A 57 ASN : amide:sc= 0.968 K(o=0.97,f=0) USER MOD Single : A 58 GLN : amide:sc= 0.85 K(o=0.85,f=-0.038) 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= 0.74 K(o=0.74,f=-1.1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0214 USER MOD Single : A 81 HIS : no HE2:sc= 0.423 K(o=0.42,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.658 21.037 -10.086 1.00 1.00 N ATOM 2 CA GLY A 1 13.785 19.627 -10.466 1.00 1.00 C ATOM 3 C GLY A 1 13.294 18.632 -9.406 1.00 1.00 C ATOM 4 O GLY A 1 13.153 17.443 -9.698 1.00 1.00 O ATOM 0 H1 GLY A 1 14.012 21.638 -10.858 1.00 1.00 H new ATOM 0 H2 GLY A 1 12.658 21.259 -9.905 1.00 1.00 H new ATOM 0 H3 GLY A 1 14.214 21.216 -9.225 1.00 1.00 H new ATOM 0 HA2 GLY A 1 13.226 19.461 -11.387 1.00 1.00 H new ATOM 0 HA3 GLY A 1 14.832 19.417 -10.686 1.00 1.00 H new ATOM 8 N SER A 2 13.000 19.096 -8.185 1.00 1.00 N ATOM 9 CA SER A 2 12.573 18.263 -7.045 1.00 1.00 C ATOM 10 C SER A 2 11.330 17.412 -7.329 1.00 1.00 C ATOM 11 O SER A 2 11.213 16.302 -6.813 1.00 1.00 O ATOM 12 CB SER A 2 12.307 19.139 -5.813 1.00 1.00 C ATOM 13 OG SER A 2 13.451 19.923 -5.503 1.00 1.00 O ATOM 0 H SER A 2 13.053 20.088 -7.953 1.00 1.00 H new ATOM 0 HA SER A 2 13.397 17.574 -6.860 1.00 1.00 H new ATOM 0 HB2 SER A 2 11.453 19.790 -6.000 1.00 1.00 H new ATOM 0 HB3 SER A 2 12.048 18.510 -4.961 1.00 1.00 H new ATOM 0 HG SER A 2 13.265 20.477 -4.716 1.00 1.00 H new ATOM 19 N HIS A 3 10.432 17.876 -8.203 1.00 1.00 N ATOM 20 CA HIS A 3 9.266 17.118 -8.671 1.00 1.00 C ATOM 21 C HIS A 3 9.630 15.790 -9.366 1.00 1.00 C ATOM 22 O HIS A 3 8.887 14.816 -9.240 1.00 1.00 O ATOM 23 CB HIS A 3 8.409 18.022 -9.574 1.00 1.00 C ATOM 24 CG HIS A 3 9.167 18.682 -10.703 1.00 1.00 C ATOM 25 ND1 HIS A 3 9.695 19.957 -10.695 1.00 1.00 N ATOM 26 CD2 HIS A 3 9.460 18.135 -11.923 1.00 1.00 C ATOM 27 CE1 HIS A 3 10.301 20.169 -11.875 1.00 1.00 C ATOM 28 NE2 HIS A 3 10.188 19.081 -12.659 1.00 1.00 N ATOM 0 H HIS A 3 10.496 18.808 -8.614 1.00 1.00 H new ATOM 0 HA HIS A 3 8.689 16.822 -7.795 1.00 1.00 H new ATOM 0 HB2 HIS A 3 7.598 17.428 -9.996 1.00 1.00 H new ATOM 0 HB3 HIS A 3 7.950 18.797 -8.960 1.00 1.00 H new ATOM 0 HD1 HIS A 3 9.635 20.624 -9.925 1.00 1.00 H new ATOM 0 HD2 HIS A 3 9.180 17.148 -12.260 1.00 1.00 H new ATOM 0 HE1 HIS A 3 10.806 21.082 -12.154 1.00 1.00 H new ATOM 36 N MET A 4 10.783 15.702 -10.044 1.00 1.00 N ATOM 37 CA MET A 4 11.281 14.444 -10.624 1.00 1.00 C ATOM 38 C MET A 4 11.775 13.472 -9.541 1.00 1.00 C ATOM 39 O MET A 4 11.520 12.272 -9.626 1.00 1.00 O ATOM 40 CB MET A 4 12.423 14.710 -11.621 1.00 1.00 C ATOM 41 CG MET A 4 12.012 15.578 -12.816 1.00 1.00 C ATOM 42 SD MET A 4 10.685 14.887 -13.845 1.00 1.00 S ATOM 43 CE MET A 4 10.619 16.152 -15.143 1.00 1.00 C ATOM 0 H MET A 4 11.397 16.500 -10.206 1.00 1.00 H new ATOM 0 HA MET A 4 10.441 13.986 -11.146 1.00 1.00 H new ATOM 0 HB2 MET A 4 13.245 15.197 -11.096 1.00 1.00 H new ATOM 0 HB3 MET A 4 12.800 13.756 -11.990 1.00 1.00 H new ATOM 0 HG2 MET A 4 11.694 16.553 -12.446 1.00 1.00 H new ATOM 0 HG3 MET A 4 12.888 15.745 -13.443 1.00 1.00 H new ATOM 0 HE1 MET A 4 9.851 15.888 -15.870 1.00 1.00 H new ATOM 0 HE2 MET A 4 10.381 17.118 -14.698 1.00 1.00 H new ATOM 0 HE3 MET A 4 11.586 16.211 -15.643 1.00 1.00 H new ATOM 53 N LEU A 5 12.439 13.992 -8.501 1.00 1.00 N ATOM 54 CA LEU A 5 12.918 13.211 -7.352 1.00 1.00 C ATOM 55 C LEU A 5 11.752 12.696 -6.487 1.00 1.00 C ATOM 56 O LEU A 5 11.783 11.574 -5.985 1.00 1.00 O ATOM 57 CB LEU A 5 13.887 14.067 -6.512 1.00 1.00 C ATOM 58 CG LEU A 5 15.111 14.600 -7.282 1.00 1.00 C ATOM 59 CD1 LEU A 5 15.937 15.517 -6.379 1.00 1.00 C ATOM 60 CD2 LEU A 5 16.021 13.479 -7.789 1.00 1.00 C ATOM 0 H LEU A 5 12.663 14.985 -8.433 1.00 1.00 H new ATOM 0 HA LEU A 5 13.447 12.336 -7.729 1.00 1.00 H new ATOM 0 HB2 LEU A 5 13.338 14.913 -6.100 1.00 1.00 H new ATOM 0 HB3 LEU A 5 14.237 13.472 -5.668 1.00 1.00 H new ATOM 0 HG LEU A 5 14.724 15.144 -8.144 1.00 1.00 H new ATOM 0 HD11 LEU A 5 16.800 15.889 -6.931 1.00 1.00 H new ATOM 0 HD12 LEU A 5 15.323 16.357 -6.055 1.00 1.00 H new ATOM 0 HD13 LEU A 5 16.277 14.959 -5.507 1.00 1.00 H new ATOM 0 HD21 LEU A 5 16.867 13.911 -8.324 1.00 1.00 H new ATOM 0 HD22 LEU A 5 16.386 12.896 -6.943 1.00 1.00 H new ATOM 0 HD23 LEU A 5 15.459 12.831 -8.461 1.00 1.00 H new ATOM 72 N GLU A 6 10.689 13.491 -6.348 1.00 1.00 N ATOM 73 CA GLU A 6 9.436 13.064 -5.716 1.00 1.00 C ATOM 74 C GLU A 6 8.687 12.023 -6.560 1.00 1.00 C ATOM 75 O GLU A 6 8.147 11.061 -6.011 1.00 1.00 O ATOM 76 CB GLU A 6 8.539 14.287 -5.457 1.00 1.00 C ATOM 77 CG GLU A 6 9.090 15.191 -4.345 1.00 1.00 C ATOM 78 CD GLU A 6 8.275 16.486 -4.237 1.00 1.00 C ATOM 79 OE1 GLU A 6 7.284 16.496 -3.467 1.00 1.00 O ATOM 80 OE2 GLU A 6 8.637 17.472 -4.924 1.00 1.00 O ATOM 0 H GLU A 6 10.672 14.458 -6.673 1.00 1.00 H new ATOM 0 HA GLU A 6 9.689 12.588 -4.768 1.00 1.00 H new ATOM 0 HB2 GLU A 6 8.442 14.864 -6.376 1.00 1.00 H new ATOM 0 HB3 GLU A 6 7.539 13.950 -5.185 1.00 1.00 H new ATOM 0 HG2 GLU A 6 9.064 14.660 -3.393 1.00 1.00 H new ATOM 0 HG3 GLU A 6 10.134 15.430 -4.549 1.00 1.00 H new ATOM 87 N SER A 7 8.697 12.157 -7.892 1.00 1.00 N ATOM 88 CA SER A 7 8.110 11.160 -8.800 1.00 1.00 C ATOM 89 C SER A 7 8.846 9.817 -8.739 1.00 1.00 C ATOM 90 O SER A 7 8.199 8.770 -8.679 1.00 1.00 O ATOM 91 CB SER A 7 8.092 11.666 -10.248 1.00 1.00 C ATOM 92 OG SER A 7 7.276 12.819 -10.375 1.00 1.00 O ATOM 0 H SER A 7 9.111 12.957 -8.371 1.00 1.00 H new ATOM 0 HA SER A 7 7.086 11.005 -8.461 1.00 1.00 H new ATOM 0 HB2 SER A 7 9.108 11.898 -10.568 1.00 1.00 H new ATOM 0 HB3 SER A 7 7.722 10.880 -10.907 1.00 1.00 H new ATOM 0 HG SER A 7 7.745 13.594 -10.002 1.00 1.00 H new ATOM 98 N SER A 8 10.185 9.813 -8.709 1.00 1.00 N ATOM 99 CA SER A 8 10.967 8.574 -8.560 1.00 1.00 C ATOM 100 C SER A 8 10.793 7.927 -7.178 1.00 1.00 C ATOM 101 O SER A 8 10.689 6.701 -7.089 1.00 1.00 O ATOM 102 CB SER A 8 12.447 8.782 -8.904 1.00 1.00 C ATOM 103 OG SER A 8 13.094 9.653 -7.995 1.00 1.00 O ATOM 0 H SER A 8 10.753 10.657 -8.786 1.00 1.00 H new ATOM 0 HA SER A 8 10.561 7.871 -9.287 1.00 1.00 H new ATOM 0 HB2 SER A 8 12.956 7.818 -8.905 1.00 1.00 H new ATOM 0 HB3 SER A 8 12.530 9.187 -9.913 1.00 1.00 H new ATOM 0 HG SER A 8 12.422 10.147 -7.480 1.00 1.00 H new ATOM 109 N ALA A 9 10.680 8.721 -6.107 1.00 1.00 N ATOM 110 CA ALA A 9 10.333 8.225 -4.774 1.00 1.00 C ATOM 111 C ALA A 9 8.922 7.602 -4.728 1.00 1.00 C ATOM 112 O ALA A 9 8.735 6.539 -4.133 1.00 1.00 O ATOM 113 CB ALA A 9 10.474 9.369 -3.764 1.00 1.00 C ATOM 0 H ALA A 9 10.828 9.730 -6.143 1.00 1.00 H new ATOM 0 HA ALA A 9 11.023 7.422 -4.513 1.00 1.00 H new ATOM 0 HB1 ALA A 9 10.217 9.009 -2.768 1.00 1.00 H new ATOM 0 HB2 ALA A 9 11.502 9.731 -3.765 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.803 10.182 -4.040 1.00 1.00 H new ATOM 119 N GLU A 10 7.934 8.211 -5.393 1.00 1.00 N ATOM 120 CA GLU A 10 6.579 7.658 -5.508 1.00 1.00 C ATOM 121 C GLU A 10 6.555 6.346 -6.312 1.00 1.00 C ATOM 122 O GLU A 10 5.908 5.386 -5.901 1.00 1.00 O ATOM 123 CB GLU A 10 5.635 8.707 -6.122 1.00 1.00 C ATOM 124 CG GLU A 10 4.171 8.248 -6.086 1.00 1.00 C ATOM 125 CD GLU A 10 3.230 9.305 -6.675 1.00 1.00 C ATOM 126 OE1 GLU A 10 3.020 10.348 -6.010 1.00 1.00 O ATOM 127 OE2 GLU A 10 2.705 9.068 -7.791 1.00 1.00 O ATOM 0 H GLU A 10 8.052 9.105 -5.869 1.00 1.00 H new ATOM 0 HA GLU A 10 6.229 7.413 -4.505 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.734 9.647 -5.579 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.930 8.901 -7.153 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.068 7.317 -6.644 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.881 8.036 -5.057 1.00 1.00 H new ATOM 134 N GLU A 11 7.298 6.255 -7.419 1.00 1.00 N ATOM 135 CA GLU A 11 7.431 5.005 -8.182 1.00 1.00 C ATOM 136 C GLU A 11 8.179 3.907 -7.405 1.00 1.00 C ATOM 137 O GLU A 11 7.828 2.731 -7.516 1.00 1.00 O ATOM 138 CB GLU A 11 8.115 5.270 -9.533 1.00 1.00 C ATOM 139 CG GLU A 11 7.229 6.033 -10.531 1.00 1.00 C ATOM 140 CD GLU A 11 6.049 5.182 -11.024 1.00 1.00 C ATOM 141 OE1 GLU A 11 6.244 4.410 -11.993 1.00 1.00 O ATOM 142 OE2 GLU A 11 4.950 5.295 -10.430 1.00 1.00 O ATOM 0 H GLU A 11 7.821 7.038 -7.811 1.00 1.00 H new ATOM 0 HA GLU A 11 6.421 4.634 -8.356 1.00 1.00 H new ATOM 0 HB2 GLU A 11 9.029 5.839 -9.363 1.00 1.00 H new ATOM 0 HB3 GLU A 11 8.409 4.318 -9.975 1.00 1.00 H new ATOM 0 HG2 GLU A 11 6.850 6.939 -10.059 1.00 1.00 H new ATOM 0 HG3 GLU A 11 7.831 6.346 -11.384 1.00 1.00 H new ATOM 149 N SER A 12 9.155 4.271 -6.567 1.00 1.00 N ATOM 150 CA SER A 12 9.806 3.336 -5.641 1.00 1.00 C ATOM 151 C SER A 12 8.821 2.808 -4.589 1.00 1.00 C ATOM 152 O SER A 12 8.760 1.601 -4.340 1.00 1.00 O ATOM 153 CB SER A 12 11.009 4.013 -4.974 1.00 1.00 C ATOM 154 OG SER A 12 11.741 3.079 -4.198 1.00 1.00 O ATOM 0 H SER A 12 9.517 5.223 -6.511 1.00 1.00 H new ATOM 0 HA SER A 12 10.157 2.478 -6.213 1.00 1.00 H new ATOM 0 HB2 SER A 12 11.657 4.448 -5.735 1.00 1.00 H new ATOM 0 HB3 SER A 12 10.667 4.832 -4.341 1.00 1.00 H new ATOM 0 HG SER A 12 12.506 3.528 -3.781 1.00 1.00 H new ATOM 160 N LEU A 13 7.966 3.676 -4.036 1.00 1.00 N ATOM 161 CA LEU A 13 6.886 3.271 -3.131 1.00 1.00 C ATOM 162 C LEU A 13 5.871 2.369 -3.847 1.00 1.00 C ATOM 163 O LEU A 13 5.480 1.346 -3.291 1.00 1.00 O ATOM 164 CB LEU A 13 6.251 4.535 -2.516 1.00 1.00 C ATOM 165 CG LEU A 13 5.165 4.287 -1.447 1.00 1.00 C ATOM 166 CD1 LEU A 13 5.016 5.542 -0.583 1.00 1.00 C ATOM 167 CD2 LEU A 13 3.777 3.990 -2.031 1.00 1.00 C ATOM 0 H LEU A 13 8.004 4.681 -4.204 1.00 1.00 H new ATOM 0 HA LEU A 13 7.286 2.667 -2.317 1.00 1.00 H new ATOM 0 HB2 LEU A 13 7.043 5.137 -2.070 1.00 1.00 H new ATOM 0 HB3 LEU A 13 5.815 5.128 -3.320 1.00 1.00 H new ATOM 0 HG LEU A 13 5.496 3.415 -0.883 1.00 1.00 H new ATOM 0 HD11 LEU A 13 4.250 5.374 0.174 1.00 1.00 H new ATOM 0 HD12 LEU A 13 5.966 5.763 -0.096 1.00 1.00 H new ATOM 0 HD13 LEU A 13 4.726 6.384 -1.211 1.00 1.00 H new ATOM 0 HD21 LEU A 13 3.068 3.827 -1.219 1.00 1.00 H new ATOM 0 HD22 LEU A 13 3.448 4.835 -2.636 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.828 3.097 -2.653 1.00 1.00 H new ATOM 179 N ALA A 14 5.488 2.684 -5.086 1.00 1.00 N ATOM 180 CA ALA A 14 4.595 1.849 -5.892 1.00 1.00 C ATOM 181 C ALA A 14 5.178 0.444 -6.145 1.00 1.00 C ATOM 182 O ALA A 14 4.443 -0.543 -6.113 1.00 1.00 O ATOM 183 CB ALA A 14 4.265 2.578 -7.199 1.00 1.00 C ATOM 0 H ALA A 14 5.792 3.533 -5.562 1.00 1.00 H new ATOM 0 HA ALA A 14 3.672 1.688 -5.335 1.00 1.00 H new ATOM 0 HB1 ALA A 14 3.600 1.960 -7.803 1.00 1.00 H new ATOM 0 HB2 ALA A 14 3.775 3.525 -6.974 1.00 1.00 H new ATOM 0 HB3 ALA A 14 5.185 2.768 -7.752 1.00 1.00 H new ATOM 189 N TYR A 15 6.497 0.330 -6.337 1.00 1.00 N ATOM 190 CA TYR A 15 7.194 -0.959 -6.435 1.00 1.00 C ATOM 191 C TYR A 15 7.160 -1.756 -5.115 1.00 1.00 C ATOM 192 O TYR A 15 6.888 -2.959 -5.130 1.00 1.00 O ATOM 193 CB TYR A 15 8.633 -0.729 -6.915 1.00 1.00 C ATOM 194 CG TYR A 15 9.399 -2.018 -7.141 1.00 1.00 C ATOM 195 CD1 TYR A 15 9.091 -2.824 -8.254 1.00 1.00 C ATOM 196 CD2 TYR A 15 10.384 -2.430 -6.222 1.00 1.00 C ATOM 197 CE1 TYR A 15 9.765 -4.044 -8.448 1.00 1.00 C ATOM 198 CE2 TYR A 15 11.065 -3.649 -6.417 1.00 1.00 C ATOM 199 CZ TYR A 15 10.755 -4.461 -7.532 1.00 1.00 C ATOM 200 OH TYR A 15 11.402 -5.643 -7.728 1.00 1.00 O ATOM 0 H TYR A 15 7.116 1.135 -6.430 1.00 1.00 H new ATOM 0 HA TYR A 15 6.665 -1.571 -7.166 1.00 1.00 H new ATOM 0 HB2 TYR A 15 8.613 -0.158 -7.843 1.00 1.00 H new ATOM 0 HB3 TYR A 15 9.162 -0.123 -6.180 1.00 1.00 H new ATOM 0 HD1 TYR A 15 8.337 -2.506 -8.959 1.00 1.00 H new ATOM 0 HD2 TYR A 15 10.618 -1.812 -5.368 1.00 1.00 H new ATOM 0 HE1 TYR A 15 9.524 -4.663 -9.300 1.00 1.00 H new ATOM 0 HE2 TYR A 15 11.823 -3.962 -5.715 1.00 1.00 H new ATOM 0 HH TYR A 15 12.053 -5.782 -7.009 1.00 1.00 H new ATOM 210 N ARG A 16 7.360 -1.097 -3.962 1.00 1.00 N ATOM 211 CA ARG A 16 7.190 -1.715 -2.628 1.00 1.00 C ATOM 212 C ARG A 16 5.745 -2.140 -2.361 1.00 1.00 C ATOM 213 O ARG A 16 5.509 -3.212 -1.810 1.00 1.00 O ATOM 214 CB ARG A 16 7.656 -0.762 -1.515 1.00 1.00 C ATOM 215 CG ARG A 16 9.164 -0.471 -1.559 1.00 1.00 C ATOM 216 CD ARG A 16 9.601 0.480 -0.437 1.00 1.00 C ATOM 217 NE ARG A 16 9.429 -0.117 0.901 1.00 1.00 N ATOM 218 CZ ARG A 16 9.718 0.462 2.055 1.00 1.00 C ATOM 219 NH1 ARG A 16 10.207 1.673 2.135 1.00 1.00 N ATOM 220 NH2 ARG A 16 9.519 -0.175 3.178 1.00 1.00 N ATOM 0 H ARG A 16 7.645 -0.118 -3.924 1.00 1.00 H new ATOM 0 HA ARG A 16 7.811 -2.611 -2.625 1.00 1.00 H new ATOM 0 HB2 ARG A 16 7.109 0.177 -1.597 1.00 1.00 H new ATOM 0 HB3 ARG A 16 7.404 -1.194 -0.547 1.00 1.00 H new ATOM 0 HG2 ARG A 16 9.716 -1.407 -1.476 1.00 1.00 H new ATOM 0 HG3 ARG A 16 9.421 -0.034 -2.524 1.00 1.00 H new ATOM 0 HD2 ARG A 16 10.647 0.751 -0.580 1.00 1.00 H new ATOM 0 HD3 ARG A 16 9.022 1.401 -0.499 1.00 1.00 H new ATOM 0 HE ARG A 16 9.052 -1.064 0.940 1.00 1.00 H new ATOM 0 HH11 ARG A 16 10.380 2.210 1.285 1.00 1.00 H new ATOM 0 HH12 ARG A 16 10.415 2.080 3.047 1.00 1.00 H new ATOM 0 HH21 ARG A 16 9.140 -1.122 3.167 1.00 1.00 H new ATOM 0 HH22 ARG A 16 9.743 0.274 4.066 1.00 1.00 H new ATOM 234 N GLU A 17 4.779 -1.332 -2.781 1.00 1.00 N ATOM 235 CA GLU A 17 3.350 -1.644 -2.709 1.00 1.00 C ATOM 236 C GLU A 17 2.987 -2.843 -3.593 1.00 1.00 C ATOM 237 O GLU A 17 2.236 -3.704 -3.154 1.00 1.00 O ATOM 238 CB GLU A 17 2.552 -0.388 -3.091 1.00 1.00 C ATOM 239 CG GLU A 17 1.065 -0.476 -2.738 1.00 1.00 C ATOM 240 CD GLU A 17 0.342 0.786 -3.216 1.00 1.00 C ATOM 241 OE1 GLU A 17 -0.044 0.835 -4.407 1.00 1.00 O ATOM 242 OE2 GLU A 17 0.192 1.717 -2.393 1.00 1.00 O ATOM 0 H GLU A 17 4.969 -0.418 -3.192 1.00 1.00 H new ATOM 0 HA GLU A 17 3.094 -1.934 -1.690 1.00 1.00 H new ATOM 0 HB2 GLU A 17 2.986 0.475 -2.587 1.00 1.00 H new ATOM 0 HB3 GLU A 17 2.653 -0.215 -4.163 1.00 1.00 H new ATOM 0 HG2 GLU A 17 0.623 -1.357 -3.203 1.00 1.00 H new ATOM 0 HG3 GLU A 17 0.944 -0.589 -1.661 1.00 1.00 H new ATOM 249 N ASP A 18 3.562 -2.971 -4.790 1.00 1.00 N ATOM 250 CA ASP A 18 3.339 -4.121 -5.674 1.00 1.00 C ATOM 251 C ASP A 18 3.828 -5.456 -5.078 1.00 1.00 C ATOM 252 O ASP A 18 3.290 -6.506 -5.423 1.00 1.00 O ATOM 253 CB ASP A 18 3.981 -3.853 -7.041 1.00 1.00 C ATOM 254 CG ASP A 18 3.554 -4.901 -8.070 1.00 1.00 C ATOM 255 OD1 ASP A 18 2.331 -4.976 -8.337 1.00 1.00 O ATOM 256 OD2 ASP A 18 4.441 -5.613 -8.597 1.00 1.00 O ATOM 0 H ASP A 18 4.200 -2.276 -5.178 1.00 1.00 H new ATOM 0 HA ASP A 18 2.261 -4.233 -5.793 1.00 1.00 H new ATOM 0 HB2 ASP A 18 3.697 -2.860 -7.390 1.00 1.00 H new ATOM 0 HB3 ASP A 18 5.067 -3.858 -6.943 1.00 1.00 H new ATOM 261 N ASP A 19 4.785 -5.446 -4.141 1.00 1.00 N ATOM 262 CA ASP A 19 5.149 -6.648 -3.371 1.00 1.00 C ATOM 263 C ASP A 19 3.984 -7.165 -2.498 1.00 1.00 C ATOM 264 O ASP A 19 3.861 -8.371 -2.274 1.00 1.00 O ATOM 265 CB ASP A 19 6.396 -6.380 -2.517 1.00 1.00 C ATOM 266 CG ASP A 19 6.930 -7.666 -1.876 1.00 1.00 C ATOM 267 OD1 ASP A 19 7.570 -8.461 -2.605 1.00 1.00 O ATOM 268 OD2 ASP A 19 6.702 -7.854 -0.656 1.00 1.00 O ATOM 0 H ASP A 19 5.325 -4.616 -3.895 1.00 1.00 H new ATOM 0 HA ASP A 19 5.376 -7.435 -4.090 1.00 1.00 H new ATOM 0 HB2 ASP A 19 7.173 -5.933 -3.137 1.00 1.00 H new ATOM 0 HB3 ASP A 19 6.155 -5.657 -1.737 1.00 1.00 H new ATOM 273 N LEU A 20 3.105 -6.270 -2.025 1.00 1.00 N ATOM 274 CA LEU A 20 1.917 -6.607 -1.229 1.00 1.00 C ATOM 275 C LEU A 20 0.848 -7.381 -2.027 1.00 1.00 C ATOM 276 O LEU A 20 -0.054 -7.967 -1.426 1.00 1.00 O ATOM 277 CB LEU A 20 1.299 -5.335 -0.615 1.00 1.00 C ATOM 278 CG LEU A 20 2.267 -4.385 0.111 1.00 1.00 C ATOM 279 CD1 LEU A 20 1.514 -3.145 0.593 1.00 1.00 C ATOM 280 CD2 LEU A 20 2.955 -5.048 1.306 1.00 1.00 C ATOM 0 H LEU A 20 3.203 -5.268 -2.189 1.00 1.00 H new ATOM 0 HA LEU A 20 2.260 -7.271 -0.435 1.00 1.00 H new ATOM 0 HB2 LEU A 20 0.805 -4.777 -1.411 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.525 -5.638 0.090 1.00 1.00 H new ATOM 0 HG LEU A 20 3.040 -4.109 -0.607 1.00 1.00 H new ATOM 0 HD11 LEU A 20 2.205 -2.476 1.106 1.00 1.00 H new ATOM 0 HD12 LEU A 20 1.078 -2.629 -0.262 1.00 1.00 H new ATOM 0 HD13 LEU A 20 0.722 -3.444 1.279 1.00 1.00 H new ATOM 0 HD21 LEU A 20 3.627 -4.333 1.782 1.00 1.00 H new ATOM 0 HD22 LEU A 20 2.203 -5.373 2.025 1.00 1.00 H new ATOM 0 HD23 LEU A 20 3.526 -5.911 0.964 1.00 1.00 H new ATOM 292 N ARG A 21 0.954 -7.436 -3.366 1.00 1.00 N ATOM 293 CA ARG A 21 0.057 -8.214 -4.250 1.00 1.00 C ATOM 294 C ARG A 21 -0.009 -9.709 -3.884 1.00 1.00 C ATOM 295 O ARG A 21 -1.025 -10.367 -4.102 1.00 1.00 O ATOM 296 CB ARG A 21 0.488 -8.012 -5.717 1.00 1.00 C ATOM 297 CG ARG A 21 -0.604 -8.411 -6.722 1.00 1.00 C ATOM 298 CD ARG A 21 -0.089 -8.470 -8.164 1.00 1.00 C ATOM 299 NE ARG A 21 0.211 -7.130 -8.703 1.00 1.00 N ATOM 300 CZ ARG A 21 -0.241 -6.609 -9.831 1.00 1.00 C ATOM 301 NH1 ARG A 21 -1.021 -7.254 -10.656 1.00 1.00 N ATOM 302 NH2 ARG A 21 0.080 -5.389 -10.150 1.00 1.00 N ATOM 0 H ARG A 21 1.678 -6.932 -3.878 1.00 1.00 H new ATOM 0 HA ARG A 21 -0.956 -7.837 -4.110 1.00 1.00 H new ATOM 0 HB2 ARG A 21 0.752 -6.966 -5.872 1.00 1.00 H new ATOM 0 HB3 ARG A 21 1.385 -8.600 -5.911 1.00 1.00 H new ATOM 0 HG2 ARG A 21 -1.008 -9.385 -6.445 1.00 1.00 H new ATOM 0 HG3 ARG A 21 -1.425 -7.696 -6.663 1.00 1.00 H new ATOM 0 HD2 ARG A 21 0.810 -9.085 -8.202 1.00 1.00 H new ATOM 0 HD3 ARG A 21 -0.834 -8.955 -8.795 1.00 1.00 H new ATOM 0 HE ARG A 21 0.833 -6.543 -8.147 1.00 1.00 H new ATOM 0 HH11 ARG A 21 -1.311 -8.209 -10.443 1.00 1.00 H new ATOM 0 HH12 ARG A 21 -1.341 -6.803 -11.513 1.00 1.00 H new ATOM 0 HH21 ARG A 21 0.677 -4.840 -9.531 1.00 1.00 H new ATOM 0 HH22 ARG A 21 -0.265 -4.981 -11.019 1.00 1.00 H new ATOM 316 N GLY A 22 1.052 -10.246 -3.276 1.00 1.00 N ATOM 317 CA GLY A 22 1.124 -11.634 -2.802 1.00 1.00 C ATOM 318 C GLY A 22 0.534 -11.877 -1.403 1.00 1.00 C ATOM 319 O GLY A 22 0.794 -12.934 -0.822 1.00 1.00 O ATOM 0 H GLY A 22 1.905 -9.717 -3.095 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.603 -12.273 -3.515 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.168 -11.947 -2.798 1.00 1.00 H new ATOM 323 N ARG A 23 -0.226 -10.921 -0.841 1.00 1.00 N ATOM 324 CA ARG A 23 -0.757 -10.960 0.535 1.00 1.00 C ATOM 325 C ARG A 23 -2.257 -10.655 0.610 1.00 1.00 C ATOM 326 O ARG A 23 -2.844 -10.032 -0.278 1.00 1.00 O ATOM 327 CB ARG A 23 0.019 -9.979 1.428 1.00 1.00 C ATOM 328 CG ARG A 23 1.504 -10.346 1.550 1.00 1.00 C ATOM 329 CD ARG A 23 2.139 -9.480 2.638 1.00 1.00 C ATOM 330 NE ARG A 23 3.576 -9.769 2.818 1.00 1.00 N ATOM 331 CZ ARG A 23 4.570 -9.353 2.048 1.00 1.00 C ATOM 332 NH1 ARG A 23 4.382 -8.644 0.970 1.00 1.00 N ATOM 333 NH2 ARG A 23 5.806 -9.646 2.343 1.00 1.00 N ATOM 0 H ARG A 23 -0.496 -10.076 -1.344 1.00 1.00 H new ATOM 0 HA ARG A 23 -0.622 -11.981 0.893 1.00 1.00 H new ATOM 0 HB2 ARG A 23 -0.071 -8.972 1.020 1.00 1.00 H new ATOM 0 HB3 ARG A 23 -0.431 -9.962 2.421 1.00 1.00 H new ATOM 0 HG2 ARG A 23 1.612 -11.402 1.797 1.00 1.00 H new ATOM 0 HG3 ARG A 23 2.011 -10.188 0.598 1.00 1.00 H new ATOM 0 HD2 ARG A 23 2.012 -8.428 2.382 1.00 1.00 H new ATOM 0 HD3 ARG A 23 1.617 -9.644 3.581 1.00 1.00 H new ATOM 0 HE ARG A 23 3.829 -10.349 3.618 1.00 1.00 H new ATOM 0 HH11 ARG A 23 3.436 -8.386 0.688 1.00 1.00 H new ATOM 0 HH12 ARG A 23 5.181 -8.347 0.409 1.00 1.00 H new ATOM 0 HH21 ARG A 23 6.014 -10.200 3.173 1.00 1.00 H new ATOM 0 HH22 ARG A 23 6.564 -9.321 1.743 1.00 1.00 H new ATOM 347 N LEU A 24 -2.862 -11.089 1.714 1.00 1.00 N ATOM 348 CA LEU A 24 -4.231 -10.748 2.101 1.00 1.00 C ATOM 349 C LEU A 24 -4.272 -9.360 2.766 1.00 1.00 C ATOM 350 O LEU A 24 -3.301 -8.893 3.367 1.00 1.00 O ATOM 351 CB LEU A 24 -4.774 -11.794 3.102 1.00 1.00 C ATOM 352 CG LEU A 24 -5.200 -13.184 2.589 1.00 1.00 C ATOM 353 CD1 LEU A 24 -6.292 -13.105 1.525 1.00 1.00 C ATOM 354 CD2 LEU A 24 -4.046 -14.018 2.030 1.00 1.00 C ATOM 0 H LEU A 24 -2.401 -11.705 2.383 1.00 1.00 H new ATOM 0 HA LEU A 24 -4.847 -10.739 1.202 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -4.008 -11.947 3.863 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -5.636 -11.352 3.602 1.00 1.00 H new ATOM 0 HG LEU A 24 -5.585 -13.682 3.479 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -6.555 -14.111 1.198 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -7.173 -12.617 1.943 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -5.929 -12.530 0.673 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -4.425 -14.982 1.689 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -3.589 -13.491 1.192 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -3.301 -14.176 2.809 1.00 1.00 H new ATOM 366 N GLY A 25 -5.451 -8.753 2.738 1.00 1.00 N ATOM 367 CA GLY A 25 -5.806 -7.515 3.419 1.00 1.00 C ATOM 368 C GLY A 25 -7.196 -7.567 4.053 1.00 1.00 C ATOM 369 O GLY A 25 -7.857 -8.606 4.075 1.00 1.00 O ATOM 0 H GLY A 25 -6.233 -9.135 2.206 1.00 1.00 H new ATOM 0 HA2 GLY A 25 -5.066 -7.306 4.192 1.00 1.00 H new ATOM 0 HA3 GLY A 25 -5.766 -6.690 2.708 1.00 1.00 H new ATOM 373 N LYS A 26 -7.626 -6.427 4.589 1.00 1.00 N ATOM 374 CA LYS A 26 -8.808 -6.234 5.431 1.00 1.00 C ATOM 375 C LYS A 26 -9.414 -4.863 5.132 1.00 1.00 C ATOM 376 O LYS A 26 -8.755 -3.834 5.290 1.00 1.00 O ATOM 377 CB LYS A 26 -8.340 -6.391 6.889 1.00 1.00 C ATOM 378 CG LYS A 26 -9.388 -6.092 7.972 1.00 1.00 C ATOM 379 CD LYS A 26 -10.673 -6.927 7.871 1.00 1.00 C ATOM 380 CE LYS A 26 -10.439 -8.446 7.808 1.00 1.00 C ATOM 381 NZ LYS A 26 -9.753 -8.959 9.012 1.00 1.00 N ATOM 0 H LYS A 26 -7.124 -5.552 4.437 1.00 1.00 H new ATOM 0 HA LYS A 26 -9.594 -6.963 5.237 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -7.986 -7.413 7.027 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -7.486 -5.733 7.048 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -8.938 -6.260 8.950 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -9.652 -5.036 7.920 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -11.305 -6.704 8.730 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -11.223 -6.619 6.982 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -11.396 -8.954 7.694 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -9.845 -8.683 6.925 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -9.618 -9.986 8.923 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -8.827 -8.495 9.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -10.331 -8.757 9.853 1.00 1.00 H new ATOM 395 N VAL A 27 -10.642 -4.859 4.618 1.00 1.00 N ATOM 396 CA VAL A 27 -11.370 -3.638 4.216 1.00 1.00 C ATOM 397 C VAL A 27 -11.843 -2.857 5.448 1.00 1.00 C ATOM 398 O VAL A 27 -12.455 -3.434 6.350 1.00 1.00 O ATOM 399 CB VAL A 27 -12.544 -3.986 3.270 1.00 1.00 C ATOM 400 CG1 VAL A 27 -13.361 -2.758 2.863 1.00 1.00 C ATOM 401 CG2 VAL A 27 -11.976 -4.602 1.989 1.00 1.00 C ATOM 0 H VAL A 27 -11.176 -5.714 4.463 1.00 1.00 H new ATOM 0 HA VAL A 27 -10.687 -2.993 3.664 1.00 1.00 H new ATOM 0 HB VAL A 27 -13.198 -4.672 3.809 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -14.170 -3.063 2.200 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -13.779 -2.288 3.753 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -12.716 -2.047 2.346 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -12.793 -4.852 1.312 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -11.311 -3.887 1.505 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -11.419 -5.506 2.236 1.00 1.00 H new ATOM 411 N ILE A 28 -11.595 -1.541 5.461 1.00 1.00 N ATOM 412 CA ILE A 28 -11.987 -0.614 6.544 1.00 1.00 C ATOM 413 C ILE A 28 -12.954 0.500 6.089 1.00 1.00 C ATOM 414 O ILE A 28 -13.615 1.112 6.927 1.00 1.00 O ATOM 415 CB ILE A 28 -10.773 -0.030 7.303 1.00 1.00 C ATOM 416 CG1 ILE A 28 -9.840 0.853 6.435 1.00 1.00 C ATOM 417 CG2 ILE A 28 -10.034 -1.139 8.074 1.00 1.00 C ATOM 418 CD1 ILE A 28 -8.649 0.141 5.787 1.00 1.00 C ATOM 0 H ILE A 28 -11.103 -1.073 4.700 1.00 1.00 H new ATOM 0 HA ILE A 28 -12.543 -1.234 7.248 1.00 1.00 H new ATOM 0 HB ILE A 28 -11.168 0.674 8.036 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -10.437 1.310 5.646 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -9.459 1.663 7.056 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -9.183 -0.710 8.602 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -10.713 -1.597 8.793 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -9.682 -1.896 7.374 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -8.069 0.858 5.205 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.018 -0.292 6.563 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -9.011 -0.650 5.131 1.00 1.00 H new ATOM 430 N THR A 29 -13.100 0.715 4.777 1.00 1.00 N ATOM 431 CA THR A 29 -14.139 1.572 4.170 1.00 1.00 C ATOM 432 C THR A 29 -14.715 0.801 2.989 1.00 1.00 C ATOM 433 O THR A 29 -13.952 0.312 2.158 1.00 1.00 O ATOM 434 CB THR A 29 -13.594 2.933 3.706 1.00 1.00 C ATOM 435 OG1 THR A 29 -13.029 3.637 4.792 1.00 1.00 O ATOM 436 CG2 THR A 29 -14.678 3.825 3.098 1.00 1.00 C ATOM 0 H THR A 29 -12.485 0.289 4.084 1.00 1.00 H new ATOM 0 HA THR A 29 -14.901 1.797 4.916 1.00 1.00 H new ATOM 0 HB THR A 29 -12.845 2.711 2.946 1.00 1.00 H new ATOM 0 HG1 THR A 29 -12.686 4.500 4.479 1.00 1.00 H new ATOM 0 HG21 THR A 29 -14.238 4.773 2.788 1.00 1.00 H new ATOM 0 HG22 THR A 29 -15.115 3.327 2.232 1.00 1.00 H new ATOM 0 HG23 THR A 29 -15.454 4.011 3.840 1.00 1.00 H new ATOM 444 N ALA A 30 -16.041 0.657 2.935 1.00 1.00 N ATOM 445 CA ALA A 30 -16.738 -0.228 2.003 1.00 1.00 C ATOM 446 C ALA A 30 -16.390 0.021 0.523 1.00 1.00 C ATOM 447 O ALA A 30 -16.318 1.162 0.065 1.00 1.00 O ATOM 448 CB ALA A 30 -18.246 -0.117 2.254 1.00 1.00 C ATOM 0 H ALA A 30 -16.673 1.165 3.553 1.00 1.00 H new ATOM 0 HA ALA A 30 -16.397 -1.245 2.196 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -18.779 -0.772 1.565 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -18.467 -0.412 3.280 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -18.566 0.913 2.096 1.00 1.00 H new ATOM 454 N VAL A 31 -16.232 -1.071 -0.227 1.00 1.00 N ATOM 455 CA VAL A 31 -15.815 -1.113 -1.636 1.00 1.00 C ATOM 456 C VAL A 31 -16.951 -1.744 -2.457 1.00 1.00 C ATOM 457 O VAL A 31 -17.057 -2.972 -2.493 1.00 1.00 O ATOM 458 CB VAL A 31 -14.507 -1.922 -1.797 1.00 1.00 C ATOM 459 CG1 VAL A 31 -14.039 -1.931 -3.253 1.00 1.00 C ATOM 460 CG2 VAL A 31 -13.342 -1.397 -0.950 1.00 1.00 C ATOM 0 H VAL A 31 -16.400 -2.004 0.150 1.00 1.00 H new ATOM 0 HA VAL A 31 -15.618 -0.102 -1.994 1.00 1.00 H new ATOM 0 HB VAL A 31 -14.763 -2.924 -1.453 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -13.117 -2.507 -3.335 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -14.807 -2.384 -3.879 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -13.858 -0.908 -3.583 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -12.461 -2.017 -1.118 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -13.121 -0.368 -1.233 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -13.614 -1.432 0.105 1.00 1.00 H new ATOM 470 N PRO A 32 -17.858 -0.957 -3.064 1.00 1.00 N ATOM 471 CA PRO A 32 -18.982 -1.498 -3.826 1.00 1.00 C ATOM 472 C PRO A 32 -18.568 -2.038 -5.206 1.00 1.00 C ATOM 473 O PRO A 32 -17.435 -1.851 -5.660 1.00 1.00 O ATOM 474 CB PRO A 32 -19.994 -0.352 -3.913 1.00 1.00 C ATOM 475 CG PRO A 32 -19.093 0.870 -3.945 1.00 1.00 C ATOM 476 CD PRO A 32 -17.939 0.495 -3.014 1.00 1.00 C ATOM 0 HA PRO A 32 -19.411 -2.371 -3.334 1.00 1.00 H new ATOM 0 HB2 PRO A 32 -20.615 -0.424 -4.806 1.00 1.00 H new ATOM 0 HB3 PRO A 32 -20.668 -0.338 -3.057 1.00 1.00 H new ATOM 0 HG2 PRO A 32 -18.740 1.081 -4.955 1.00 1.00 H new ATOM 0 HG3 PRO A 32 -19.615 1.761 -3.597 1.00 1.00 H new ATOM 0 HD2 PRO A 32 -17.005 0.952 -3.342 1.00 1.00 H new ATOM 0 HD3 PRO A 32 -18.125 0.843 -1.998 1.00 1.00 H new ATOM 484 N VAL A 33 -19.521 -2.683 -5.893 1.00 1.00 N ATOM 485 CA VAL A 33 -19.311 -3.463 -7.132 1.00 1.00 C ATOM 486 C VAL A 33 -18.661 -2.701 -8.296 1.00 1.00 C ATOM 487 O VAL A 33 -18.103 -3.323 -9.196 1.00 1.00 O ATOM 488 CB VAL A 33 -20.628 -4.102 -7.634 1.00 1.00 C ATOM 489 CG1 VAL A 33 -21.371 -4.877 -6.539 1.00 1.00 C ATOM 490 CG2 VAL A 33 -21.603 -3.082 -8.238 1.00 1.00 C ATOM 0 H VAL A 33 -20.496 -2.679 -5.595 1.00 1.00 H new ATOM 0 HA VAL A 33 -18.597 -4.228 -6.826 1.00 1.00 H new ATOM 0 HB VAL A 33 -20.304 -4.793 -8.412 1.00 1.00 H new ATOM 0 HG11 VAL A 33 -22.286 -5.302 -6.951 1.00 1.00 H new ATOM 0 HG12 VAL A 33 -20.735 -5.679 -6.165 1.00 1.00 H new ATOM 0 HG13 VAL A 33 -21.621 -4.201 -5.721 1.00 1.00 H new ATOM 0 HG21 VAL A 33 -22.506 -3.594 -8.571 1.00 1.00 H new ATOM 0 HG22 VAL A 33 -21.864 -2.338 -7.485 1.00 1.00 H new ATOM 0 HG23 VAL A 33 -21.132 -2.588 -9.088 1.00 1.00 H new ATOM 500 N ASP A 34 -18.742 -1.371 -8.302 1.00 1.00 N ATOM 501 CA ASP A 34 -18.199 -0.487 -9.344 1.00 1.00 C ATOM 502 C ASP A 34 -17.686 0.842 -8.739 1.00 1.00 C ATOM 503 O ASP A 34 -17.764 1.902 -9.365 1.00 1.00 O ATOM 504 CB ASP A 34 -19.280 -0.288 -10.425 1.00 1.00 C ATOM 505 CG ASP A 34 -18.760 0.423 -11.684 1.00 1.00 C ATOM 506 OD1 ASP A 34 -17.680 0.026 -12.184 1.00 1.00 O ATOM 507 OD2 ASP A 34 -19.463 1.341 -12.174 1.00 1.00 O ATOM 0 H ASP A 34 -19.205 -0.855 -7.554 1.00 1.00 H new ATOM 0 HA ASP A 34 -17.327 -0.943 -9.814 1.00 1.00 H new ATOM 0 HB2 ASP A 34 -19.685 -1.260 -10.707 1.00 1.00 H new ATOM 0 HB3 ASP A 34 -20.103 0.290 -10.004 1.00 1.00 H new ATOM 512 N GLY A 35 -17.205 0.794 -7.490 1.00 1.00 N ATOM 513 CA GLY A 35 -16.796 1.970 -6.706 1.00 1.00 C ATOM 514 C GLY A 35 -15.529 1.758 -5.869 1.00 1.00 C ATOM 515 O GLY A 35 -14.777 0.802 -6.076 1.00 1.00 O ATOM 0 H GLY A 35 -17.086 -0.083 -6.983 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -16.633 2.807 -7.385 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -17.613 2.252 -6.042 1.00 1.00 H new ATOM 519 N PHE A 36 -15.304 2.665 -4.913 1.00 1.00 N ATOM 520 CA PHE A 36 -14.058 2.784 -4.147 1.00 1.00 C ATOM 521 C PHE A 36 -14.298 2.815 -2.630 1.00 1.00 C ATOM 522 O PHE A 36 -15.274 3.397 -2.148 1.00 1.00 O ATOM 523 CB PHE A 36 -13.290 4.058 -4.546 1.00 1.00 C ATOM 524 CG PHE A 36 -13.006 4.267 -6.024 1.00 1.00 C ATOM 525 CD1 PHE A 36 -14.018 4.739 -6.884 1.00 1.00 C ATOM 526 CD2 PHE A 36 -11.712 4.045 -6.535 1.00 1.00 C ATOM 527 CE1 PHE A 36 -13.752 4.941 -8.249 1.00 1.00 C ATOM 528 CE2 PHE A 36 -11.443 4.258 -7.900 1.00 1.00 C ATOM 529 CZ PHE A 36 -12.465 4.698 -8.759 1.00 1.00 C ATOM 0 H PHE A 36 -16.003 3.357 -4.643 1.00 1.00 H new ATOM 0 HA PHE A 36 -13.471 1.897 -4.386 1.00 1.00 H new ATOM 0 HB2 PHE A 36 -13.854 4.918 -4.186 1.00 1.00 H new ATOM 0 HB3 PHE A 36 -12.337 4.057 -4.016 1.00 1.00 H new ATOM 0 HD1 PHE A 36 -15.003 4.946 -6.492 1.00 1.00 H new ATOM 0 HD2 PHE A 36 -10.924 3.710 -5.877 1.00 1.00 H new ATOM 0 HE1 PHE A 36 -14.537 5.283 -8.907 1.00 1.00 H new ATOM 0 HE2 PHE A 36 -10.450 4.083 -8.288 1.00 1.00 H new ATOM 0 HZ PHE A 36 -12.262 4.849 -9.809 1.00 1.00 H new ATOM 539 N GLY A 37 -13.359 2.229 -1.890 1.00 1.00 N ATOM 540 CA GLY A 37 -13.238 2.266 -0.429 1.00 1.00 C ATOM 541 C GLY A 37 -11.766 2.181 -0.017 1.00 1.00 C ATOM 542 O GLY A 37 -10.898 2.667 -0.741 1.00 1.00 O ATOM 0 H GLY A 37 -12.614 1.680 -2.319 1.00 1.00 H new ATOM 0 HA2 GLY A 37 -13.678 3.186 -0.044 1.00 1.00 H new ATOM 0 HA3 GLY A 37 -13.794 1.438 0.010 1.00 1.00 H new ATOM 546 N GLU A 38 -11.457 1.576 1.129 1.00 1.00 N ATOM 547 CA GLU A 38 -10.091 1.482 1.678 1.00 1.00 C ATOM 548 C GLU A 38 -9.814 0.118 2.328 1.00 1.00 C ATOM 549 O GLU A 38 -10.695 -0.499 2.930 1.00 1.00 O ATOM 550 CB GLU A 38 -9.825 2.583 2.727 1.00 1.00 C ATOM 551 CG GLU A 38 -9.341 3.940 2.187 1.00 1.00 C ATOM 552 CD GLU A 38 -10.378 4.761 1.407 1.00 1.00 C ATOM 553 OE1 GLU A 38 -11.557 4.801 1.833 1.00 1.00 O ATOM 554 OE2 GLU A 38 -9.977 5.393 0.399 1.00 1.00 O ATOM 0 H GLU A 38 -12.157 1.127 1.719 1.00 1.00 H new ATOM 0 HA GLU A 38 -9.423 1.611 0.827 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -10.744 2.747 3.290 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -9.081 2.211 3.432 1.00 1.00 H new ATOM 0 HG2 GLU A 38 -8.990 4.539 3.027 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -8.482 3.766 1.539 1.00 1.00 H new ATOM 561 N VAL A 39 -8.551 -0.307 2.263 1.00 1.00 N ATOM 562 CA VAL A 39 -8.022 -1.597 2.732 1.00 1.00 C ATOM 563 C VAL A 39 -6.668 -1.402 3.433 1.00 1.00 C ATOM 564 O VAL A 39 -5.938 -0.456 3.141 1.00 1.00 O ATOM 565 CB VAL A 39 -7.919 -2.560 1.525 1.00 1.00 C ATOM 566 CG1 VAL A 39 -6.758 -2.231 0.578 1.00 1.00 C ATOM 567 CG2 VAL A 39 -7.797 -4.032 1.926 1.00 1.00 C ATOM 0 H VAL A 39 -7.820 0.276 1.855 1.00 1.00 H new ATOM 0 HA VAL A 39 -8.696 -2.034 3.469 1.00 1.00 H new ATOM 0 HB VAL A 39 -8.864 -2.407 1.004 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -6.746 -2.946 -0.245 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -6.886 -1.224 0.182 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -5.816 -2.289 1.123 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -7.729 -4.649 1.030 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -6.901 -4.171 2.531 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -8.674 -4.326 2.503 1.00 1.00 H new ATOM 577 N VAL A 40 -6.307 -2.336 4.311 1.00 1.00 N ATOM 578 CA VAL A 40 -4.980 -2.489 4.949 1.00 1.00 C ATOM 579 C VAL A 40 -4.522 -3.933 4.745 1.00 1.00 C ATOM 580 O VAL A 40 -5.357 -4.835 4.730 1.00 1.00 O ATOM 581 CB VAL A 40 -4.974 -2.251 6.481 1.00 1.00 C ATOM 582 CG1 VAL A 40 -4.740 -0.789 6.826 1.00 1.00 C ATOM 583 CG2 VAL A 40 -6.218 -2.757 7.219 1.00 1.00 C ATOM 0 H VAL A 40 -6.963 -3.053 4.621 1.00 1.00 H new ATOM 0 HA VAL A 40 -4.335 -1.741 4.488 1.00 1.00 H new ATOM 0 HB VAL A 40 -4.138 -2.855 6.834 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -4.743 -0.666 7.909 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -3.777 -0.471 6.427 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -5.532 -0.181 6.389 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -6.121 -2.545 8.284 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -7.103 -2.254 6.828 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -6.317 -3.832 7.071 1.00 1.00 H new ATOM 593 N ILE A 41 -3.219 -4.189 4.603 1.00 1.00 N ATOM 594 CA ILE A 41 -2.701 -5.573 4.636 1.00 1.00 C ATOM 595 C ILE A 41 -2.886 -6.128 6.061 1.00 1.00 C ATOM 596 O ILE A 41 -2.881 -5.365 7.028 1.00 1.00 O ATOM 597 CB ILE A 41 -1.236 -5.603 4.145 1.00 1.00 C ATOM 598 CG1 ILE A 41 -1.135 -5.207 2.659 1.00 1.00 C ATOM 599 CG2 ILE A 41 -0.517 -6.948 4.368 1.00 1.00 C ATOM 600 CD1 ILE A 41 -1.924 -6.059 1.655 1.00 1.00 C ATOM 0 H ILE A 41 -2.506 -3.472 4.466 1.00 1.00 H new ATOM 0 HA ILE A 41 -3.256 -6.220 3.956 1.00 1.00 H new ATOM 0 HB ILE A 41 -0.723 -4.867 4.764 1.00 1.00 H new ATOM 0 HG12 ILE A 41 -1.467 -4.173 2.561 1.00 1.00 H new ATOM 0 HG13 ILE A 41 -0.084 -5.233 2.372 1.00 1.00 H new ATOM 0 HG21 ILE A 41 0.505 -6.881 3.995 1.00 1.00 H new ATOM 0 HG22 ILE A 41 -0.500 -7.179 5.433 1.00 1.00 H new ATOM 0 HG23 ILE A 41 -1.047 -7.737 3.834 1.00 1.00 H new ATOM 0 HD11 ILE A 41 -1.766 -5.674 0.648 1.00 1.00 H new ATOM 0 HD12 ILE A 41 -1.581 -7.092 1.706 1.00 1.00 H new ATOM 0 HD13 ILE A 41 -2.986 -6.017 1.897 1.00 1.00 H new ATOM 612 N GLU A 42 -3.071 -7.445 6.202 1.00 1.00 N ATOM 613 CA GLU A 42 -3.484 -8.087 7.474 1.00 1.00 C ATOM 614 C GLU A 42 -2.569 -7.870 8.703 1.00 1.00 C ATOM 615 O GLU A 42 -2.983 -8.164 9.826 1.00 1.00 O ATOM 616 CB GLU A 42 -3.782 -9.584 7.273 1.00 1.00 C ATOM 617 CG GLU A 42 -5.121 -9.825 6.559 1.00 1.00 C ATOM 618 CD GLU A 42 -5.661 -11.226 6.880 1.00 1.00 C ATOM 619 OE1 GLU A 42 -5.161 -12.207 6.282 1.00 1.00 O ATOM 620 OE2 GLU A 42 -6.567 -11.319 7.743 1.00 1.00 O ATOM 0 H GLU A 42 -2.940 -8.107 5.438 1.00 1.00 H new ATOM 0 HA GLU A 42 -4.395 -7.549 7.735 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -2.978 -10.037 6.693 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -3.796 -10.082 8.242 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -5.845 -9.071 6.868 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -4.989 -9.718 5.482 1.00 1.00 H new ATOM 627 N GLY A 43 -1.370 -7.303 8.542 1.00 1.00 N ATOM 628 CA GLY A 43 -0.504 -6.837 9.638 1.00 1.00 C ATOM 629 C GLY A 43 -0.990 -5.525 10.273 1.00 1.00 C ATOM 630 O GLY A 43 -0.178 -4.639 10.531 1.00 1.00 O ATOM 0 H GLY A 43 -0.960 -7.149 7.621 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -0.453 -7.609 10.406 1.00 1.00 H new ATOM 0 HA3 GLY A 43 0.508 -6.697 9.259 1.00 1.00 H new ATOM 634 N ILE A 44 -2.305 -5.386 10.498 1.00 1.00 N ATOM 635 CA ILE A 44 -3.031 -4.160 10.896 1.00 1.00 C ATOM 636 C ILE A 44 -2.418 -3.345 12.052 1.00 1.00 C ATOM 637 O ILE A 44 -2.620 -2.132 12.121 1.00 1.00 O ATOM 638 CB ILE A 44 -4.539 -4.426 11.121 1.00 1.00 C ATOM 639 CG1 ILE A 44 -4.913 -5.103 12.459 1.00 1.00 C ATOM 640 CG2 ILE A 44 -5.170 -5.155 9.919 1.00 1.00 C ATOM 641 CD1 ILE A 44 -4.349 -6.507 12.701 1.00 1.00 C ATOM 0 H ILE A 44 -2.938 -6.180 10.401 1.00 1.00 H new ATOM 0 HA ILE A 44 -2.912 -3.508 10.031 1.00 1.00 H new ATOM 0 HB ILE A 44 -4.974 -3.430 11.201 1.00 1.00 H new ATOM 0 HG12 ILE A 44 -4.580 -4.458 13.272 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -6.000 -5.158 12.521 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -6.229 -5.325 10.112 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -5.058 -4.544 9.023 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -4.670 -6.112 9.770 1.00 1.00 H new ATOM 0 HD11 ILE A 44 -4.683 -6.871 13.672 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -4.702 -7.180 11.920 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -3.260 -6.470 12.683 1.00 1.00 H new ATOM 653 N GLY A 45 -1.659 -3.984 12.951 1.00 1.00 N ATOM 654 CA GLY A 45 -0.890 -3.321 14.012 1.00 1.00 C ATOM 655 C GLY A 45 0.268 -2.426 13.526 1.00 1.00 C ATOM 656 O GLY A 45 0.764 -1.609 14.305 1.00 1.00 O ATOM 0 H GLY A 45 -1.560 -4.999 12.961 1.00 1.00 H new ATOM 0 HA2 GLY A 45 -1.572 -2.713 14.607 1.00 1.00 H new ATOM 0 HA3 GLY A 45 -0.483 -4.085 14.675 1.00 1.00 H new ATOM 660 N GLY A 46 0.693 -2.547 12.260 1.00 1.00 N ATOM 661 CA GLY A 46 1.794 -1.763 11.673 1.00 1.00 C ATOM 662 C GLY A 46 1.712 -1.474 10.162 1.00 1.00 C ATOM 663 O GLY A 46 2.497 -0.661 9.666 1.00 1.00 O ATOM 0 H GLY A 46 0.275 -3.204 11.602 1.00 1.00 H new ATOM 0 HA2 GLY A 46 1.850 -0.810 12.199 1.00 1.00 H new ATOM 0 HA3 GLY A 46 2.728 -2.290 11.868 1.00 1.00 H new ATOM 667 N THR A 47 0.787 -2.092 9.418 1.00 1.00 N ATOM 668 CA THR A 47 0.506 -1.778 7.999 1.00 1.00 C ATOM 669 C THR A 47 -0.157 -0.403 7.810 1.00 1.00 C ATOM 670 O THR A 47 -0.523 0.277 8.775 1.00 1.00 O ATOM 671 CB THR A 47 -0.328 -2.892 7.339 1.00 1.00 C ATOM 672 OG1 THR A 47 -1.505 -3.133 8.070 1.00 1.00 O ATOM 673 CG2 THR A 47 0.473 -4.191 7.233 1.00 1.00 C ATOM 0 H THR A 47 0.198 -2.839 9.786 1.00 1.00 H new ATOM 0 HA THR A 47 1.472 -1.727 7.496 1.00 1.00 H new ATOM 0 HB THR A 47 -0.588 -2.553 6.336 1.00 1.00 H new ATOM 0 HG1 THR A 47 -1.962 -3.919 7.704 1.00 1.00 H new ATOM 0 HG21 THR A 47 -0.141 -4.960 6.763 1.00 1.00 H new ATOM 0 HG22 THR A 47 1.365 -4.020 6.630 1.00 1.00 H new ATOM 0 HG23 THR A 47 0.766 -4.520 8.230 1.00 1.00 H new ATOM 681 N ILE A 48 -0.315 0.019 6.549 1.00 1.00 N ATOM 682 CA ILE A 48 -0.738 1.370 6.146 1.00 1.00 C ATOM 683 C ILE A 48 -1.912 1.245 5.171 1.00 1.00 C ATOM 684 O ILE A 48 -1.835 0.507 4.186 1.00 1.00 O ATOM 685 CB ILE A 48 0.439 2.126 5.476 1.00 1.00 C ATOM 686 CG1 ILE A 48 1.684 2.272 6.384 1.00 1.00 C ATOM 687 CG2 ILE A 48 0.000 3.509 4.959 1.00 1.00 C ATOM 688 CD1 ILE A 48 1.489 3.139 7.634 1.00 1.00 C ATOM 0 H ILE A 48 -0.146 -0.592 5.750 1.00 1.00 H new ATOM 0 HA ILE A 48 -1.047 1.936 7.025 1.00 1.00 H new ATOM 0 HB ILE A 48 0.735 1.502 4.632 1.00 1.00 H new ATOM 0 HG12 ILE A 48 2.002 1.278 6.698 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.496 2.695 5.793 1.00 1.00 H new ATOM 0 HG21 ILE A 48 0.850 4.011 4.496 1.00 1.00 H new ATOM 0 HG22 ILE A 48 -0.795 3.387 4.223 1.00 1.00 H new ATOM 0 HG23 ILE A 48 -0.366 4.109 5.792 1.00 1.00 H new ATOM 0 HD11 ILE A 48 2.420 3.176 8.200 1.00 1.00 H new ATOM 0 HD12 ILE A 48 1.205 4.148 7.336 1.00 1.00 H new ATOM 0 HD13 ILE A 48 0.703 2.710 8.256 1.00 1.00 H new ATOM 700 N SER A 49 -3.007 1.950 5.458 1.00 1.00 N ATOM 701 CA SER A 49 -4.233 1.909 4.654 1.00 1.00 C ATOM 702 C SER A 49 -4.018 2.520 3.265 1.00 1.00 C ATOM 703 O SER A 49 -3.313 3.524 3.127 1.00 1.00 O ATOM 704 CB SER A 49 -5.356 2.706 5.336 1.00 1.00 C ATOM 705 OG SER A 49 -5.450 2.420 6.724 1.00 1.00 O ATOM 0 H SER A 49 -3.070 2.573 6.263 1.00 1.00 H new ATOM 0 HA SER A 49 -4.506 0.858 4.559 1.00 1.00 H new ATOM 0 HB2 SER A 49 -5.178 3.772 5.198 1.00 1.00 H new ATOM 0 HB3 SER A 49 -6.306 2.476 4.854 1.00 1.00 H new ATOM 0 HG SER A 49 -6.175 2.949 7.119 1.00 1.00 H new ATOM 711 N LYS A 50 -4.686 1.969 2.247 1.00 1.00 N ATOM 712 CA LYS A 50 -4.680 2.446 0.851 1.00 1.00 C ATOM 713 C LYS A 50 -6.096 2.393 0.270 1.00 1.00 C ATOM 714 O LYS A 50 -6.929 1.612 0.738 1.00 1.00 O ATOM 715 CB LYS A 50 -3.735 1.575 -0.005 1.00 1.00 C ATOM 716 CG LYS A 50 -2.290 1.426 0.507 1.00 1.00 C ATOM 717 CD LYS A 50 -1.479 2.732 0.467 1.00 1.00 C ATOM 718 CE LYS A 50 -0.152 2.604 1.231 1.00 1.00 C ATOM 719 NZ LYS A 50 0.753 1.620 0.601 1.00 1.00 N ATOM 0 H LYS A 50 -5.272 1.144 2.373 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.326 3.477 0.837 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -4.171 0.580 -0.091 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.700 1.995 -1.010 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -2.314 1.056 1.532 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -1.778 0.673 -0.092 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.277 3.003 -0.569 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -2.070 3.540 0.898 1.00 1.00 H new ATOM 0 HE2 LYS A 50 0.339 3.576 1.271 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -0.353 2.306 2.260 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 1.740 1.866 0.819 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 0.544 0.670 0.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 0.613 1.630 -0.430 1.00 1.00 H new ATOM 733 N SER A 51 -6.372 3.200 -0.753 1.00 1.00 N ATOM 734 CA SER A 51 -7.638 3.135 -1.498 1.00 1.00 C ATOM 735 C SER A 51 -7.784 1.791 -2.219 1.00 1.00 C ATOM 736 O SER A 51 -6.793 1.184 -2.634 1.00 1.00 O ATOM 737 CB SER A 51 -7.743 4.285 -2.506 1.00 1.00 C ATOM 738 OG SER A 51 -7.662 5.540 -1.846 1.00 1.00 O ATOM 0 H SER A 51 -5.730 3.917 -1.092 1.00 1.00 H new ATOM 0 HA SER A 51 -8.448 3.231 -0.776 1.00 1.00 H new ATOM 0 HB2 SER A 51 -6.944 4.204 -3.243 1.00 1.00 H new ATOM 0 HB3 SER A 51 -8.685 4.214 -3.049 1.00 1.00 H new ATOM 0 HG SER A 51 -8.351 5.589 -1.150 1.00 1.00 H new ATOM 744 N ALA A 52 -9.023 1.327 -2.375 1.00 1.00 N ATOM 745 CA ALA A 52 -9.333 -0.010 -2.877 1.00 1.00 C ATOM 746 C ALA A 52 -10.553 -0.026 -3.814 1.00 1.00 C ATOM 747 O ALA A 52 -11.525 0.695 -3.582 1.00 1.00 O ATOM 748 CB ALA A 52 -9.561 -0.930 -1.672 1.00 1.00 C ATOM 0 H ALA A 52 -9.852 1.878 -2.153 1.00 1.00 H new ATOM 0 HA ALA A 52 -8.493 -0.361 -3.476 1.00 1.00 H new ATOM 0 HB1 ALA A 52 -9.795 -1.936 -2.021 1.00 1.00 H new ATOM 0 HB2 ALA A 52 -8.659 -0.958 -1.060 1.00 1.00 H new ATOM 0 HB3 ALA A 52 -10.392 -0.551 -1.077 1.00 1.00 H new ATOM 754 N VAL A 53 -10.523 -0.906 -4.821 1.00 1.00 N ATOM 755 CA VAL A 53 -11.630 -1.215 -5.751 1.00 1.00 C ATOM 756 C VAL A 53 -11.871 -2.728 -5.833 1.00 1.00 C ATOM 757 O VAL A 53 -10.957 -3.517 -5.585 1.00 1.00 O ATOM 758 CB VAL A 53 -11.380 -0.658 -7.169 1.00 1.00 C ATOM 759 CG1 VAL A 53 -11.251 0.865 -7.149 1.00 1.00 C ATOM 760 CG2 VAL A 53 -10.147 -1.242 -7.870 1.00 1.00 C ATOM 0 H VAL A 53 -9.687 -1.453 -5.025 1.00 1.00 H new ATOM 0 HA VAL A 53 -12.516 -0.725 -5.348 1.00 1.00 H new ATOM 0 HB VAL A 53 -12.256 -0.965 -7.741 1.00 1.00 H new ATOM 0 HG11 VAL A 53 -11.075 1.229 -8.161 1.00 1.00 H new ATOM 0 HG12 VAL A 53 -12.170 1.303 -6.760 1.00 1.00 H new ATOM 0 HG13 VAL A 53 -10.415 1.151 -6.511 1.00 1.00 H new ATOM 0 HG21 VAL A 53 -10.046 -0.796 -8.860 1.00 1.00 H new ATOM 0 HG22 VAL A 53 -9.256 -1.024 -7.281 1.00 1.00 H new ATOM 0 HG23 VAL A 53 -10.261 -2.322 -7.968 1.00 1.00 H new ATOM 770 N SER A 54 -13.082 -3.159 -6.203 1.00 1.00 N ATOM 771 CA SER A 54 -13.355 -4.584 -6.450 1.00 1.00 C ATOM 772 C SER A 54 -12.831 -5.016 -7.825 1.00 1.00 C ATOM 773 O SER A 54 -13.211 -4.453 -8.855 1.00 1.00 O ATOM 774 CB SER A 54 -14.846 -4.910 -6.350 1.00 1.00 C ATOM 775 OG SER A 54 -15.001 -6.317 -6.479 1.00 1.00 O ATOM 0 H SER A 54 -13.887 -2.547 -6.338 1.00 1.00 H new ATOM 0 HA SER A 54 -12.830 -5.139 -5.672 1.00 1.00 H new ATOM 0 HB2 SER A 54 -15.247 -4.569 -5.395 1.00 1.00 H new ATOM 0 HB3 SER A 54 -15.402 -4.393 -7.132 1.00 1.00 H new ATOM 0 HG SER A 54 -15.113 -6.716 -5.591 1.00 1.00 H new ATOM 781 N PHE A 55 -11.980 -6.044 -7.847 1.00 1.00 N ATOM 782 CA PHE A 55 -11.521 -6.714 -9.073 1.00 1.00 C ATOM 783 C PHE A 55 -12.556 -7.706 -9.647 1.00 1.00 C ATOM 784 O PHE A 55 -12.441 -8.135 -10.795 1.00 1.00 O ATOM 785 CB PHE A 55 -10.215 -7.447 -8.748 1.00 1.00 C ATOM 786 CG PHE A 55 -9.433 -7.936 -9.957 1.00 1.00 C ATOM 787 CD1 PHE A 55 -8.636 -7.038 -10.695 1.00 1.00 C ATOM 788 CD2 PHE A 55 -9.473 -9.295 -10.331 1.00 1.00 C ATOM 789 CE1 PHE A 55 -7.875 -7.496 -11.785 1.00 1.00 C ATOM 790 CE2 PHE A 55 -8.713 -9.752 -11.422 1.00 1.00 C ATOM 791 CZ PHE A 55 -7.911 -8.853 -12.148 1.00 1.00 C ATOM 0 H PHE A 55 -11.581 -6.444 -6.998 1.00 1.00 H new ATOM 0 HA PHE A 55 -11.373 -5.956 -9.842 1.00 1.00 H new ATOM 0 HB2 PHE A 55 -9.577 -6.781 -8.167 1.00 1.00 H new ATOM 0 HB3 PHE A 55 -10.445 -8.302 -8.113 1.00 1.00 H new ATOM 0 HD1 PHE A 55 -8.610 -5.993 -10.422 1.00 1.00 H new ATOM 0 HD2 PHE A 55 -10.090 -9.987 -9.777 1.00 1.00 H new ATOM 0 HE1 PHE A 55 -7.262 -6.804 -12.344 1.00 1.00 H new ATOM 0 HE2 PHE A 55 -8.745 -10.794 -11.703 1.00 1.00 H new ATOM 0 HZ PHE A 55 -7.324 -9.205 -12.983 1.00 1.00 H new ATOM 801 N ASP A 56 -13.578 -8.065 -8.861 1.00 1.00 N ATOM 802 CA ASP A 56 -14.531 -9.149 -9.151 1.00 1.00 C ATOM 803 C ASP A 56 -16.001 -8.671 -9.150 1.00 1.00 C ATOM 804 O ASP A 56 -16.930 -9.478 -9.068 1.00 1.00 O ATOM 805 CB ASP A 56 -14.255 -10.288 -8.151 1.00 1.00 C ATOM 806 CG ASP A 56 -15.000 -11.586 -8.486 1.00 1.00 C ATOM 807 OD1 ASP A 56 -14.820 -12.091 -9.621 1.00 1.00 O ATOM 808 OD2 ASP A 56 -15.730 -12.094 -7.600 1.00 1.00 O ATOM 0 H ASP A 56 -13.773 -7.595 -7.977 1.00 1.00 H new ATOM 0 HA ASP A 56 -14.382 -9.516 -10.166 1.00 1.00 H new ATOM 0 HB2 ASP A 56 -13.184 -10.488 -8.127 1.00 1.00 H new ATOM 0 HB3 ASP A 56 -14.541 -9.961 -7.151 1.00 1.00 H new ATOM 813 N ASN A 57 -16.215 -7.351 -9.235 1.00 1.00 N ATOM 814 CA ASN A 57 -17.512 -6.667 -9.146 1.00 1.00 C ATOM 815 C ASN A 57 -18.384 -7.137 -7.960 1.00 1.00 C ATOM 816 O ASN A 57 -19.580 -7.403 -8.104 1.00 1.00 O ATOM 817 CB ASN A 57 -18.231 -6.706 -10.511 1.00 1.00 C ATOM 818 CG ASN A 57 -17.469 -5.992 -11.613 1.00 1.00 C ATOM 819 OD1 ASN A 57 -16.912 -6.601 -12.516 1.00 1.00 O ATOM 820 ND2 ASN A 57 -17.426 -4.679 -11.583 1.00 1.00 N ATOM 0 H ASN A 57 -15.446 -6.696 -9.375 1.00 1.00 H new ATOM 0 HA ASN A 57 -17.318 -5.620 -8.912 1.00 1.00 H new ATOM 0 HB2 ASN A 57 -18.387 -7.745 -10.802 1.00 1.00 H new ATOM 0 HB3 ASN A 57 -19.217 -6.252 -10.408 1.00 1.00 H new ATOM 0 HD21 ASN A 57 -16.928 -4.168 -12.312 1.00 1.00 H new ATOM 0 HD22 ASN A 57 -17.890 -4.171 -10.830 1.00 1.00 H new ATOM 827 N GLN A 58 -17.773 -7.238 -6.777 1.00 1.00 N ATOM 828 CA GLN A 58 -18.429 -7.589 -5.512 1.00 1.00 C ATOM 829 C GLN A 58 -18.586 -6.356 -4.613 1.00 1.00 C ATOM 830 O GLN A 58 -17.789 -5.420 -4.680 1.00 1.00 O ATOM 831 CB GLN A 58 -17.600 -8.653 -4.770 1.00 1.00 C ATOM 832 CG GLN A 58 -17.369 -9.947 -5.565 1.00 1.00 C ATOM 833 CD GLN A 58 -18.665 -10.603 -6.041 1.00 1.00 C ATOM 834 OE1 GLN A 58 -19.515 -11.009 -5.259 1.00 1.00 O ATOM 835 NE2 GLN A 58 -18.879 -10.721 -7.335 1.00 1.00 N ATOM 0 H GLN A 58 -16.772 -7.072 -6.668 1.00 1.00 H new ATOM 0 HA GLN A 58 -19.419 -7.983 -5.743 1.00 1.00 H new ATOM 0 HB2 GLN A 58 -16.633 -8.224 -4.508 1.00 1.00 H new ATOM 0 HB3 GLN A 58 -18.103 -8.900 -3.835 1.00 1.00 H new ATOM 0 HG2 GLN A 58 -16.742 -9.727 -6.429 1.00 1.00 H new ATOM 0 HG3 GLN A 58 -16.819 -10.654 -4.944 1.00 1.00 H new ATOM 0 HE21 GLN A 58 -18.181 -10.388 -8.000 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -19.743 -11.146 -7.672 1.00 1.00 H new ATOM 844 N GLN A 59 -19.599 -6.366 -3.743 1.00 1.00 N ATOM 845 CA GLN A 59 -19.754 -5.372 -2.679 1.00 1.00 C ATOM 846 C GLN A 59 -19.020 -5.894 -1.431 1.00 1.00 C ATOM 847 O GLN A 59 -19.325 -6.980 -0.933 1.00 1.00 O ATOM 848 CB GLN A 59 -21.253 -5.107 -2.431 1.00 1.00 C ATOM 849 CG GLN A 59 -21.565 -3.752 -1.764 1.00 1.00 C ATOM 850 CD GLN A 59 -20.933 -3.576 -0.384 1.00 1.00 C ATOM 851 OE1 GLN A 59 -19.988 -2.822 -0.201 1.00 1.00 O ATOM 852 NE2 GLN A 59 -21.411 -4.277 0.619 1.00 1.00 N ATOM 0 H GLN A 59 -20.339 -7.068 -3.757 1.00 1.00 H new ATOM 0 HA GLN A 59 -19.314 -4.414 -2.956 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -21.780 -5.157 -3.384 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -21.651 -5.905 -1.804 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -21.218 -2.950 -2.416 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -22.646 -3.644 -1.673 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -22.199 -4.907 0.471 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -20.994 -4.191 1.546 1.00 1.00 H new ATOM 861 N ILE A 60 -18.040 -5.134 -0.944 1.00 1.00 N ATOM 862 CA ILE A 60 -17.100 -5.533 0.112 1.00 1.00 C ATOM 863 C ILE A 60 -17.195 -4.538 1.272 1.00 1.00 C ATOM 864 O ILE A 60 -16.535 -3.499 1.282 1.00 1.00 O ATOM 865 CB ILE A 60 -15.650 -5.696 -0.415 1.00 1.00 C ATOM 866 CG1 ILE A 60 -15.542 -6.232 -1.864 1.00 1.00 C ATOM 867 CG2 ILE A 60 -14.922 -6.619 0.568 1.00 1.00 C ATOM 868 CD1 ILE A 60 -14.106 -6.326 -2.397 1.00 1.00 C ATOM 0 H ILE A 60 -17.869 -4.188 -1.284 1.00 1.00 H new ATOM 0 HA ILE A 60 -17.382 -6.521 0.476 1.00 1.00 H new ATOM 0 HB ILE A 60 -15.193 -4.708 -0.468 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -15.999 -7.221 -1.908 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -16.120 -5.584 -2.523 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -13.893 -6.764 0.237 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -14.924 -6.168 1.560 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -15.430 -7.583 0.606 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -14.121 -6.710 -3.417 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -13.649 -5.336 -2.389 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -13.526 -6.998 -1.765 1.00 1.00 H new ATOM 880 N SER A 61 -18.070 -4.833 2.233 1.00 1.00 N ATOM 881 CA SER A 61 -18.257 -4.043 3.458 1.00 1.00 C ATOM 882 C SER A 61 -17.025 -4.055 4.383 1.00 1.00 C ATOM 883 O SER A 61 -16.107 -4.866 4.227 1.00 1.00 O ATOM 884 CB SER A 61 -19.469 -4.579 4.233 1.00 1.00 C ATOM 885 OG SER A 61 -20.633 -4.529 3.422 1.00 1.00 O ATOM 0 H SER A 61 -18.684 -5.646 2.184 1.00 1.00 H new ATOM 0 HA SER A 61 -18.416 -3.011 3.145 1.00 1.00 H new ATOM 0 HB2 SER A 61 -19.282 -5.605 4.550 1.00 1.00 H new ATOM 0 HB3 SER A 61 -19.621 -3.989 5.137 1.00 1.00 H new ATOM 0 HG SER A 61 -21.398 -4.875 3.927 1.00 1.00 H new ATOM 891 N TYR A 62 -17.033 -3.174 5.388 1.00 1.00 N ATOM 892 CA TYR A 62 -16.074 -3.163 6.502 1.00 1.00 C ATOM 893 C TYR A 62 -15.929 -4.550 7.160 1.00 1.00 C ATOM 894 O TYR A 62 -16.919 -5.263 7.357 1.00 1.00 O ATOM 895 CB TYR A 62 -16.559 -2.130 7.540 1.00 1.00 C ATOM 896 CG TYR A 62 -15.878 -2.195 8.901 1.00 1.00 C ATOM 897 CD1 TYR A 62 -16.376 -3.056 9.902 1.00 1.00 C ATOM 898 CD2 TYR A 62 -14.748 -1.402 9.168 1.00 1.00 C ATOM 899 CE1 TYR A 62 -15.730 -3.142 11.151 1.00 1.00 C ATOM 900 CE2 TYR A 62 -14.097 -1.483 10.415 1.00 1.00 C ATOM 901 CZ TYR A 62 -14.584 -2.358 11.410 1.00 1.00 C ATOM 902 OH TYR A 62 -13.951 -2.431 12.613 1.00 1.00 O ATOM 0 H TYR A 62 -17.725 -2.427 5.453 1.00 1.00 H new ATOM 0 HA TYR A 62 -15.090 -2.895 6.117 1.00 1.00 H new ATOM 0 HB2 TYR A 62 -16.413 -1.131 7.128 1.00 1.00 H new ATOM 0 HB3 TYR A 62 -17.631 -2.262 7.684 1.00 1.00 H new ATOM 0 HD1 TYR A 62 -17.256 -3.652 9.710 1.00 1.00 H new ATOM 0 HD2 TYR A 62 -14.376 -0.726 8.412 1.00 1.00 H new ATOM 0 HE1 TYR A 62 -16.111 -3.808 11.911 1.00 1.00 H new ATOM 0 HE2 TYR A 62 -13.225 -0.876 10.610 1.00 1.00 H new ATOM 0 HH TYR A 62 -13.182 -1.824 12.615 1.00 1.00 H new ATOM 912 N GLY A 63 -14.703 -4.914 7.548 1.00 1.00 N ATOM 913 CA GLY A 63 -14.446 -6.089 8.386 1.00 1.00 C ATOM 914 C GLY A 63 -14.462 -7.449 7.678 1.00 1.00 C ATOM 915 O GLY A 63 -14.888 -8.431 8.290 1.00 1.00 O ATOM 0 H GLY A 63 -13.860 -4.402 7.290 1.00 1.00 H new ATOM 0 HA2 GLY A 63 -13.473 -5.963 8.862 1.00 1.00 H new ATOM 0 HA3 GLY A 63 -15.190 -6.110 9.182 1.00 1.00 H new ATOM 919 N THR A 64 -13.992 -7.545 6.425 1.00 1.00 N ATOM 920 CA THR A 64 -13.780 -8.841 5.745 1.00 1.00 C ATOM 921 C THR A 64 -12.393 -8.957 5.118 1.00 1.00 C ATOM 922 O THR A 64 -11.752 -7.952 4.799 1.00 1.00 O ATOM 923 CB THR A 64 -14.877 -9.145 4.715 1.00 1.00 C ATOM 924 OG1 THR A 64 -14.916 -10.539 4.505 1.00 1.00 O ATOM 925 CG2 THR A 64 -14.668 -8.478 3.359 1.00 1.00 C ATOM 0 H THR A 64 -13.748 -6.735 5.854 1.00 1.00 H new ATOM 0 HA THR A 64 -13.844 -9.598 6.527 1.00 1.00 H new ATOM 0 HB THR A 64 -15.804 -8.748 5.128 1.00 1.00 H new ATOM 0 HG1 THR A 64 -15.613 -10.752 3.850 1.00 1.00 H new ATOM 0 HG21 THR A 64 -15.488 -8.745 2.692 1.00 1.00 H new ATOM 0 HG22 THR A 64 -14.642 -7.396 3.486 1.00 1.00 H new ATOM 0 HG23 THR A 64 -13.725 -8.816 2.929 1.00 1.00 H new ATOM 933 N THR A 65 -11.925 -10.195 4.962 1.00 1.00 N ATOM 934 CA THR A 65 -10.580 -10.520 4.475 1.00 1.00 C ATOM 935 C THR A 65 -10.594 -10.698 2.960 1.00 1.00 C ATOM 936 O THR A 65 -11.389 -11.458 2.401 1.00 1.00 O ATOM 937 CB THR A 65 -10.017 -11.770 5.167 1.00 1.00 C ATOM 938 OG1 THR A 65 -10.032 -11.565 6.565 1.00 1.00 O ATOM 939 CG2 THR A 65 -8.572 -12.060 4.761 1.00 1.00 C ATOM 0 H THR A 65 -12.483 -11.022 5.175 1.00 1.00 H new ATOM 0 HA THR A 65 -9.922 -9.687 4.722 1.00 1.00 H new ATOM 0 HB THR A 65 -10.640 -12.613 4.868 1.00 1.00 H new ATOM 0 HG1 THR A 65 -9.676 -12.359 7.016 1.00 1.00 H new ATOM 0 HG21 THR A 65 -8.221 -12.953 5.278 1.00 1.00 H new ATOM 0 HG22 THR A 65 -8.522 -12.221 3.684 1.00 1.00 H new ATOM 0 HG23 THR A 65 -7.941 -11.213 5.031 1.00 1.00 H new ATOM 947 N VAL A 66 -9.676 -10.005 2.292 1.00 1.00 N ATOM 948 CA VAL A 66 -9.622 -9.840 0.835 1.00 1.00 C ATOM 949 C VAL A 66 -8.226 -10.159 0.305 1.00 1.00 C ATOM 950 O VAL A 66 -7.236 -9.877 0.969 1.00 1.00 O ATOM 951 CB VAL A 66 -10.035 -8.405 0.441 1.00 1.00 C ATOM 952 CG1 VAL A 66 -11.499 -8.103 0.777 1.00 1.00 C ATOM 953 CG2 VAL A 66 -9.196 -7.303 1.111 1.00 1.00 C ATOM 0 H VAL A 66 -8.915 -9.521 2.768 1.00 1.00 H new ATOM 0 HA VAL A 66 -10.325 -10.541 0.385 1.00 1.00 H new ATOM 0 HB VAL A 66 -9.866 -8.386 -0.636 1.00 1.00 H new ATOM 0 HG11 VAL A 66 -11.737 -7.082 0.480 1.00 1.00 H new ATOM 0 HG12 VAL A 66 -12.146 -8.797 0.241 1.00 1.00 H new ATOM 0 HG13 VAL A 66 -11.657 -8.215 1.850 1.00 1.00 H new ATOM 0 HG21 VAL A 66 -9.549 -6.326 0.782 1.00 1.00 H new ATOM 0 HG22 VAL A 66 -9.294 -7.379 2.194 1.00 1.00 H new ATOM 0 HG23 VAL A 66 -8.149 -7.423 0.832 1.00 1.00 H new ATOM 963 N LEU A 67 -8.120 -10.737 -0.888 1.00 1.00 N ATOM 964 CA LEU A 67 -6.841 -10.910 -1.586 1.00 1.00 C ATOM 965 C LEU A 67 -6.610 -9.715 -2.521 1.00 1.00 C ATOM 966 O LEU A 67 -7.484 -9.369 -3.319 1.00 1.00 O ATOM 967 CB LEU A 67 -6.862 -12.256 -2.334 1.00 1.00 C ATOM 968 CG LEU A 67 -5.610 -12.538 -3.192 1.00 1.00 C ATOM 969 CD1 LEU A 67 -4.336 -12.660 -2.350 1.00 1.00 C ATOM 970 CD2 LEU A 67 -5.795 -13.843 -3.962 1.00 1.00 C ATOM 0 H LEU A 67 -8.921 -11.102 -1.404 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.008 -10.936 -0.884 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -6.975 -13.059 -1.606 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.741 -12.284 -2.978 1.00 1.00 H new ATOM 0 HG LEU A 67 -5.497 -11.691 -3.869 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -3.486 -12.858 -3.003 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -4.168 -11.730 -1.808 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -4.447 -13.479 -1.639 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -4.909 -14.038 -4.566 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -5.942 -14.663 -3.259 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.666 -13.762 -4.612 1.00 1.00 H new ATOM 982 N VAL A 68 -5.439 -9.082 -2.418 1.00 1.00 N ATOM 983 CA VAL A 68 -5.050 -7.906 -3.217 1.00 1.00 C ATOM 984 C VAL A 68 -4.520 -8.343 -4.593 1.00 1.00 C ATOM 985 O VAL A 68 -3.318 -8.415 -4.834 1.00 1.00 O ATOM 986 CB VAL A 68 -4.042 -7.018 -2.453 1.00 1.00 C ATOM 987 CG1 VAL A 68 -3.816 -5.702 -3.200 1.00 1.00 C ATOM 988 CG2 VAL A 68 -4.549 -6.661 -1.045 1.00 1.00 C ATOM 0 H VAL A 68 -4.715 -9.376 -1.763 1.00 1.00 H new ATOM 0 HA VAL A 68 -5.935 -7.293 -3.388 1.00 1.00 H new ATOM 0 HB VAL A 68 -3.118 -7.591 -2.378 1.00 1.00 H new ATOM 0 HG11 VAL A 68 -3.104 -5.088 -2.649 1.00 1.00 H new ATOM 0 HG12 VAL A 68 -3.421 -5.911 -4.194 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -4.762 -5.168 -3.290 1.00 1.00 H new ATOM 0 HG21 VAL A 68 -3.812 -6.036 -0.541 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -5.491 -6.119 -1.124 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -4.703 -7.575 -0.471 1.00 1.00 H new ATOM 998 N VAL A 69 -5.436 -8.720 -5.484 1.00 1.00 N ATOM 999 CA VAL A 69 -5.153 -9.351 -6.787 1.00 1.00 C ATOM 1000 C VAL A 69 -4.499 -8.437 -7.836 1.00 1.00 C ATOM 1001 O VAL A 69 -3.827 -8.942 -8.736 1.00 1.00 O ATOM 1002 CB VAL A 69 -6.426 -9.993 -7.371 1.00 1.00 C ATOM 1003 CG1 VAL A 69 -6.768 -11.287 -6.625 1.00 1.00 C ATOM 1004 CG2 VAL A 69 -7.650 -9.074 -7.315 1.00 1.00 C ATOM 0 H VAL A 69 -6.434 -8.593 -5.319 1.00 1.00 H new ATOM 0 HA VAL A 69 -4.407 -10.113 -6.563 1.00 1.00 H new ATOM 0 HB VAL A 69 -6.198 -10.193 -8.418 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -7.670 -11.726 -7.052 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -5.942 -11.991 -6.721 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -6.936 -11.066 -5.571 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -8.511 -9.588 -7.742 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -7.861 -8.812 -6.278 1.00 1.00 H new ATOM 0 HG23 VAL A 69 -7.450 -8.167 -7.885 1.00 1.00 H new ATOM 1014 N ASP A 70 -4.627 -7.112 -7.726 1.00 1.00 N ATOM 1015 CA ASP A 70 -3.880 -6.144 -8.549 1.00 1.00 C ATOM 1016 C ASP A 70 -3.573 -4.867 -7.747 1.00 1.00 C ATOM 1017 O ASP A 70 -4.192 -4.621 -6.712 1.00 1.00 O ATOM 1018 CB ASP A 70 -4.656 -5.824 -9.845 1.00 1.00 C ATOM 1019 CG ASP A 70 -3.745 -5.636 -11.060 1.00 1.00 C ATOM 1020 OD1 ASP A 70 -2.908 -4.704 -11.025 1.00 1.00 O ATOM 1021 OD2 ASP A 70 -3.877 -6.422 -12.027 1.00 1.00 O ATOM 0 H ASP A 70 -5.258 -6.671 -7.057 1.00 1.00 H new ATOM 0 HA ASP A 70 -2.927 -6.591 -8.832 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -5.360 -6.631 -10.048 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -5.243 -4.918 -9.695 1.00 1.00 H new ATOM 1026 N ILE A 71 -2.610 -4.055 -8.194 1.00 1.00 N ATOM 1027 CA ILE A 71 -2.101 -2.878 -7.467 1.00 1.00 C ATOM 1028 C ILE A 71 -1.689 -1.781 -8.460 1.00 1.00 C ATOM 1029 O ILE A 71 -0.972 -2.046 -9.427 1.00 1.00 O ATOM 1030 CB ILE A 71 -0.917 -3.285 -6.545 1.00 1.00 C ATOM 1031 CG1 ILE A 71 -1.408 -4.289 -5.475 1.00 1.00 C ATOM 1032 CG2 ILE A 71 -0.283 -2.053 -5.877 1.00 1.00 C ATOM 1033 CD1 ILE A 71 -0.478 -4.584 -4.299 1.00 1.00 C ATOM 0 H ILE A 71 -2.149 -4.198 -9.093 1.00 1.00 H new ATOM 0 HA ILE A 71 -2.893 -2.478 -6.834 1.00 1.00 H new ATOM 0 HB ILE A 71 -0.151 -3.761 -7.157 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -2.350 -3.916 -5.073 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -1.626 -5.233 -5.975 1.00 1.00 H new ATOM 0 HG21 ILE A 71 0.542 -2.369 -5.239 1.00 1.00 H new ATOM 0 HG22 ILE A 71 0.091 -1.375 -6.644 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -1.032 -1.540 -5.274 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -0.953 -5.303 -3.631 1.00 1.00 H new ATOM 0 HD12 ILE A 71 0.459 -4.998 -4.671 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -0.276 -3.662 -3.754 1.00 1.00 H new ATOM 1045 N ASN A 72 -2.121 -0.541 -8.202 1.00 1.00 N ATOM 1046 CA ASN A 72 -1.869 0.623 -9.054 1.00 1.00 C ATOM 1047 C ASN A 72 -1.677 1.917 -8.227 1.00 1.00 C ATOM 1048 O ASN A 72 -2.638 2.629 -7.938 1.00 1.00 O ATOM 1049 CB ASN A 72 -3.024 0.722 -10.073 1.00 1.00 C ATOM 1050 CG ASN A 72 -2.789 1.809 -11.110 1.00 1.00 C ATOM 1051 OD1 ASN A 72 -3.401 2.869 -11.100 1.00 1.00 O ATOM 1052 ND2 ASN A 72 -1.889 1.586 -12.041 1.00 1.00 N ATOM 0 H ASN A 72 -2.670 -0.315 -7.372 1.00 1.00 H new ATOM 0 HA ASN A 72 -0.929 0.499 -9.592 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -3.144 -0.237 -10.577 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -3.956 0.923 -9.544 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -1.703 2.295 -12.751 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -1.376 0.704 -12.054 1.00 1.00 H new ATOM 1059 N ASN A 73 -0.427 2.215 -7.848 1.00 1.00 N ATOM 1060 CA ASN A 73 0.032 3.482 -7.240 1.00 1.00 C ATOM 1061 C ASN A 73 -0.920 4.106 -6.184 1.00 1.00 C ATOM 1062 O ASN A 73 -1.357 5.253 -6.306 1.00 1.00 O ATOM 1063 CB ASN A 73 0.406 4.448 -8.386 1.00 1.00 C ATOM 1064 CG ASN A 73 1.169 5.681 -7.917 1.00 1.00 C ATOM 1065 OD1 ASN A 73 1.767 5.721 -6.851 1.00 1.00 O ATOM 1066 ND2 ASN A 73 1.185 6.729 -8.710 1.00 1.00 N ATOM 0 H ASN A 73 0.335 1.547 -7.961 1.00 1.00 H new ATOM 0 HA ASN A 73 0.909 3.263 -6.631 1.00 1.00 H new ATOM 0 HB2 ASN A 73 1.011 3.913 -9.119 1.00 1.00 H new ATOM 0 HB3 ASN A 73 -0.504 4.765 -8.895 1.00 1.00 H new ATOM 0 HD21 ASN A 73 1.694 7.569 -8.435 1.00 1.00 H new ATOM 0 HD22 ASN A 73 0.688 6.702 -9.601 1.00 1.00 H new ATOM 1073 N GLY A 74 -1.288 3.323 -5.164 1.00 1.00 N ATOM 1074 CA GLY A 74 -2.168 3.736 -4.059 1.00 1.00 C ATOM 1075 C GLY A 74 -3.630 3.294 -4.208 1.00 1.00 C ATOM 1076 O GLY A 74 -4.411 3.458 -3.271 1.00 1.00 O ATOM 0 H GLY A 74 -0.974 2.356 -5.080 1.00 1.00 H new ATOM 0 HA2 GLY A 74 -1.773 3.332 -3.127 1.00 1.00 H new ATOM 0 HA3 GLY A 74 -2.137 4.822 -3.974 1.00 1.00 H new ATOM 1080 N VAL A 75 -3.991 2.703 -5.354 1.00 1.00 N ATOM 1081 CA VAL A 75 -5.312 2.137 -5.663 1.00 1.00 C ATOM 1082 C VAL A 75 -5.150 0.634 -5.882 1.00 1.00 C ATOM 1083 O VAL A 75 -4.711 0.168 -6.936 1.00 1.00 O ATOM 1084 CB VAL A 75 -5.979 2.823 -6.874 1.00 1.00 C ATOM 1085 CG1 VAL A 75 -7.435 2.356 -7.011 1.00 1.00 C ATOM 1086 CG2 VAL A 75 -5.982 4.353 -6.740 1.00 1.00 C ATOM 0 H VAL A 75 -3.337 2.601 -6.130 1.00 1.00 H new ATOM 0 HA VAL A 75 -5.982 2.318 -4.823 1.00 1.00 H new ATOM 0 HB VAL A 75 -5.397 2.545 -7.753 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -7.895 2.847 -7.869 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.459 1.276 -7.155 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -7.986 2.614 -6.107 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -6.461 4.794 -7.614 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -6.531 4.639 -5.843 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.956 4.714 -6.668 1.00 1.00 H new ATOM 1096 N LEU A 76 -5.431 -0.132 -4.833 1.00 1.00 N ATOM 1097 CA LEU A 76 -5.387 -1.591 -4.826 1.00 1.00 C ATOM 1098 C LEU A 76 -6.676 -2.158 -5.449 1.00 1.00 C ATOM 1099 O LEU A 76 -7.760 -1.607 -5.260 1.00 1.00 O ATOM 1100 CB LEU A 76 -5.223 -2.048 -3.361 1.00 1.00 C ATOM 1101 CG LEU A 76 -3.778 -1.995 -2.823 1.00 1.00 C ATOM 1102 CD1 LEU A 76 -3.102 -0.625 -2.916 1.00 1.00 C ATOM 1103 CD2 LEU A 76 -3.759 -2.423 -1.356 1.00 1.00 C ATOM 0 H LEU A 76 -5.705 0.259 -3.932 1.00 1.00 H new ATOM 0 HA LEU A 76 -4.550 -1.960 -5.420 1.00 1.00 H new ATOM 0 HB2 LEU A 76 -5.854 -1.424 -2.728 1.00 1.00 H new ATOM 0 HB3 LEU A 76 -5.592 -3.070 -3.271 1.00 1.00 H new ATOM 0 HG LEU A 76 -3.215 -2.672 -3.465 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -2.091 -0.690 -2.513 1.00 1.00 H new ATOM 0 HD12 LEU A 76 -3.058 -0.311 -3.959 1.00 1.00 H new ATOM 0 HD13 LEU A 76 -3.675 0.103 -2.342 1.00 1.00 H new ATOM 0 HD21 LEU A 76 -2.737 -2.385 -0.979 1.00 1.00 H new ATOM 0 HD22 LEU A 76 -4.387 -1.750 -0.772 1.00 1.00 H new ATOM 0 HD23 LEU A 76 -4.140 -3.441 -1.269 1.00 1.00 H new ATOM 1115 N SER A 77 -6.579 -3.297 -6.125 1.00 1.00 N ATOM 1116 CA SER A 77 -7.724 -4.060 -6.633 1.00 1.00 C ATOM 1117 C SER A 77 -7.820 -5.357 -5.846 1.00 1.00 C ATOM 1118 O SER A 77 -6.860 -6.129 -5.794 1.00 1.00 O ATOM 1119 CB SER A 77 -7.592 -4.374 -8.122 1.00 1.00 C ATOM 1120 OG SER A 77 -7.339 -3.200 -8.881 1.00 1.00 O ATOM 0 H SER A 77 -5.682 -3.730 -6.343 1.00 1.00 H new ATOM 0 HA SER A 77 -8.624 -3.457 -6.509 1.00 1.00 H new ATOM 0 HB2 SER A 77 -6.783 -5.088 -8.274 1.00 1.00 H new ATOM 0 HB3 SER A 77 -8.507 -4.848 -8.477 1.00 1.00 H new ATOM 0 HG SER A 77 -7.258 -3.435 -9.829 1.00 1.00 H new ATOM 1126 N VAL A 78 -8.970 -5.595 -5.215 1.00 1.00 N ATOM 1127 CA VAL A 78 -9.140 -6.681 -4.241 1.00 1.00 C ATOM 1128 C VAL A 78 -10.394 -7.516 -4.515 1.00 1.00 C ATOM 1129 O VAL A 78 -11.296 -7.099 -5.243 1.00 1.00 O ATOM 1130 CB VAL A 78 -9.103 -6.139 -2.790 1.00 1.00 C ATOM 1131 CG1 VAL A 78 -7.974 -5.127 -2.542 1.00 1.00 C ATOM 1132 CG2 VAL A 78 -10.404 -5.460 -2.351 1.00 1.00 C ATOM 0 H VAL A 78 -9.813 -5.041 -5.363 1.00 1.00 H new ATOM 0 HA VAL A 78 -8.294 -7.358 -4.359 1.00 1.00 H new ATOM 0 HB VAL A 78 -8.937 -7.042 -2.203 1.00 1.00 H new ATOM 0 HG11 VAL A 78 -8.009 -4.790 -1.506 1.00 1.00 H new ATOM 0 HG12 VAL A 78 -7.012 -5.600 -2.738 1.00 1.00 H new ATOM 0 HG13 VAL A 78 -8.100 -4.272 -3.206 1.00 1.00 H new ATOM 0 HG21 VAL A 78 -10.302 -5.107 -1.325 1.00 1.00 H new ATOM 0 HG22 VAL A 78 -10.613 -4.615 -3.007 1.00 1.00 H new ATOM 0 HG23 VAL A 78 -11.225 -6.175 -2.408 1.00 1.00 H new ATOM 1142 N THR A 79 -10.466 -8.703 -3.917 1.00 1.00 N ATOM 1143 CA THR A 79 -11.628 -9.608 -3.980 1.00 1.00 C ATOM 1144 C THR A 79 -11.736 -10.396 -2.664 1.00 1.00 C ATOM 1145 O THR A 79 -10.695 -10.736 -2.091 1.00 1.00 O ATOM 1146 CB THR A 79 -11.513 -10.539 -5.205 1.00 1.00 C ATOM 1147 OG1 THR A 79 -12.618 -11.408 -5.257 1.00 1.00 O ATOM 1148 CG2 THR A 79 -10.254 -11.412 -5.222 1.00 1.00 C ATOM 0 H THR A 79 -9.700 -9.079 -3.358 1.00 1.00 H new ATOM 0 HA THR A 79 -12.543 -9.028 -4.101 1.00 1.00 H new ATOM 0 HB THR A 79 -11.469 -9.867 -6.062 1.00 1.00 H new ATOM 0 HG1 THR A 79 -12.537 -11.994 -6.039 1.00 1.00 H new ATOM 0 HG21 THR A 79 -10.255 -12.034 -6.117 1.00 1.00 H new ATOM 0 HG22 THR A 79 -9.370 -10.775 -5.224 1.00 1.00 H new ATOM 0 HG23 THR A 79 -10.241 -12.049 -4.337 1.00 1.00 H new ATOM 1156 N PRO A 80 -12.940 -10.654 -2.110 1.00 1.00 N ATOM 1157 CA PRO A 80 -13.096 -11.314 -0.813 1.00 1.00 C ATOM 1158 C PRO A 80 -12.742 -12.808 -0.860 1.00 1.00 C ATOM 1159 O PRO A 80 -13.582 -13.670 -1.124 1.00 1.00 O ATOM 1160 CB PRO A 80 -14.533 -11.030 -0.376 1.00 1.00 C ATOM 1161 CG PRO A 80 -15.284 -10.895 -1.700 1.00 1.00 C ATOM 1162 CD PRO A 80 -14.246 -10.251 -2.621 1.00 1.00 C ATOM 0 HA PRO A 80 -12.393 -10.923 -0.078 1.00 1.00 H new ATOM 0 HB2 PRO A 80 -14.935 -11.839 0.234 1.00 1.00 H new ATOM 0 HB3 PRO A 80 -14.600 -10.119 0.219 1.00 1.00 H new ATOM 0 HG2 PRO A 80 -15.613 -11.863 -2.078 1.00 1.00 H new ATOM 0 HG3 PRO A 80 -16.174 -10.273 -1.598 1.00 1.00 H new ATOM 0 HD2 PRO A 80 -14.380 -10.583 -3.650 1.00 1.00 H new ATOM 0 HD3 PRO A 80 -14.346 -9.166 -2.621 1.00 1.00 H new ATOM 1170 N HIS A 81 -11.471 -13.113 -0.581 1.00 1.00 N ATOM 1171 CA HIS A 81 -10.967 -14.478 -0.406 1.00 1.00 C ATOM 1172 C HIS A 81 -11.606 -15.154 0.828 1.00 1.00 C ATOM 1173 O HIS A 81 -11.871 -16.357 0.806 1.00 1.00 O ATOM 1174 CB HIS A 81 -9.431 -14.424 -0.301 1.00 1.00 C ATOM 1175 CG HIS A 81 -8.715 -15.762 -0.304 1.00 1.00 C ATOM 1176 ND1 HIS A 81 -9.235 -16.992 0.041 1.00 1.00 N ATOM 1177 CD2 HIS A 81 -7.402 -15.976 -0.635 1.00 1.00 C ATOM 1178 CE1 HIS A 81 -8.269 -17.917 -0.079 1.00 1.00 C ATOM 1179 NE2 HIS A 81 -7.124 -17.342 -0.490 1.00 1.00 N ATOM 0 H HIS A 81 -10.748 -12.402 -0.468 1.00 1.00 H new ATOM 0 HA HIS A 81 -11.243 -15.087 -1.267 1.00 1.00 H new ATOM 0 HB2 HIS A 81 -9.051 -13.829 -1.132 1.00 1.00 H new ATOM 0 HB3 HIS A 81 -9.168 -13.896 0.616 1.00 1.00 H new ATOM 0 HD1 HIS A 81 -10.194 -17.170 0.338 1.00 1.00 H new ATOM 0 HD2 HIS A 81 -6.700 -15.220 -0.954 1.00 1.00 H new ATOM 0 HE1 HIS A 81 -8.393 -18.970 0.125 1.00 1.00 H new ATOM 1187 N GLU A 82 -11.865 -14.378 1.890 1.00 1.00 N ATOM 1188 CA GLU A 82 -12.434 -14.806 3.181 1.00 1.00 C ATOM 1189 C GLU A 82 -11.925 -16.182 3.706 1.00 1.00 C ATOM 1190 O GLU A 82 -12.732 -17.077 3.983 1.00 1.00 O ATOM 1191 CB GLU A 82 -13.970 -14.676 3.106 1.00 1.00 C ATOM 1192 CG GLU A 82 -14.620 -14.509 4.488 1.00 1.00 C ATOM 1193 CD GLU A 82 -16.149 -14.454 4.372 1.00 1.00 C ATOM 1194 OE1 GLU A 82 -16.675 -13.404 3.929 1.00 1.00 O ATOM 1195 OE2 GLU A 82 -16.804 -15.465 4.727 1.00 1.00 O ATOM 0 H GLU A 82 -11.673 -13.376 1.872 1.00 1.00 H new ATOM 0 HA GLU A 82 -12.061 -14.136 3.955 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -14.228 -13.820 2.482 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -14.382 -15.560 2.620 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -14.330 -15.338 5.133 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -14.254 -13.596 4.958 1.00 1.00 H new ATOM 1202 N PRO A 83 -10.594 -16.398 3.821 1.00 1.00 N ATOM 1203 CA PRO A 83 -10.026 -17.654 4.323 1.00 1.00 C ATOM 1204 C PRO A 83 -10.330 -17.879 5.816 1.00 1.00 C ATOM 1205 O PRO A 83 -10.555 -16.930 6.575 1.00 1.00 O ATOM 1206 CB PRO A 83 -8.519 -17.548 4.058 1.00 1.00 C ATOM 1207 CG PRO A 83 -8.250 -16.047 4.145 1.00 1.00 C ATOM 1208 CD PRO A 83 -9.525 -15.444 3.557 1.00 1.00 C ATOM 0 HA PRO A 83 -10.466 -18.515 3.821 1.00 1.00 H new ATOM 0 HB2 PRO A 83 -7.941 -18.103 4.797 1.00 1.00 H new ATOM 0 HB3 PRO A 83 -8.254 -17.948 3.079 1.00 1.00 H new ATOM 0 HG2 PRO A 83 -8.086 -15.724 5.173 1.00 1.00 H new ATOM 0 HG3 PRO A 83 -7.366 -15.760 3.575 1.00 1.00 H new ATOM 0 HD2 PRO A 83 -9.744 -14.479 4.014 1.00 1.00 H new ATOM 0 HD3 PRO A 83 -9.415 -15.272 2.486 1.00 1.00 H new ATOM 1216 N ILE A 84 -10.285 -19.145 6.246 1.00 1.00 N ATOM 1217 CA ILE A 84 -10.607 -19.610 7.610 1.00 1.00 C ATOM 1218 C ILE A 84 -9.528 -20.591 8.099 1.00 1.00 C ATOM 1219 O ILE A 84 -9.104 -21.495 7.365 1.00 1.00 O ATOM 1220 CB ILE A 84 -12.013 -20.265 7.652 1.00 1.00 C ATOM 1221 CG1 ILE A 84 -13.160 -19.331 7.195 1.00 1.00 C ATOM 1222 CG2 ILE A 84 -12.329 -20.828 9.051 1.00 1.00 C ATOM 1223 CD1 ILE A 84 -13.447 -18.121 8.097 1.00 1.00 C ATOM 0 H ILE A 84 -10.012 -19.911 5.630 1.00 1.00 H new ATOM 0 HA ILE A 84 -10.623 -18.749 8.279 1.00 1.00 H new ATOM 0 HB ILE A 84 -11.964 -21.079 6.929 1.00 1.00 H new ATOM 0 HG12 ILE A 84 -12.927 -18.966 6.195 1.00 1.00 H new ATOM 0 HG13 ILE A 84 -14.072 -19.922 7.114 1.00 1.00 H new ATOM 0 HG21 ILE A 84 -13.321 -21.280 9.046 1.00 1.00 H new ATOM 0 HG22 ILE A 84 -11.588 -21.582 9.315 1.00 1.00 H new ATOM 0 HG23 ILE A 84 -12.302 -20.021 9.783 1.00 1.00 H new ATOM 0 HD11 ILE A 84 -14.269 -17.541 7.677 1.00 1.00 H new ATOM 0 HD12 ILE A 84 -13.720 -18.467 9.094 1.00 1.00 H new ATOM 0 HD13 ILE A 84 -12.557 -17.495 8.161 1.00 1.00 H new TER 1235 ILE A 84