USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 1024 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 88 THR OG1 : rot 130:sc= -2.55 USER MOD Set 1.2: A 90 GLN : amide:sc= -2.09 K(o=-4.6,f=-6.9!) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -156:sc= -0.035 (180deg=-0.609) USER MOD Set 2.2: A 53 HIS : no HD1:sc= -2.01 X(o=-2.4,f=-2.3) USER MOD Set 2.3: A 81 LYS NZ :NH3+ -159:sc= -0.317 (180deg=-0.00813) USER MOD Set 3.1: A 52 HIS : no HD1:sc= -19.7! C(o=-20!,f=-30!) USER MOD Set 3.2: A 79 THR OG1 : rot -47:sc= -0.467! USER MOD Set 4.1: A 27 GLN : amide:sc= 0.562 K(o=0.23,f=-1) USER MOD Set 4.2: A 28 GLN : amide:sc= -0.33 K(o=0.23,f=-4.3!) USER MOD Set 5.1: A 15 GLN : amide:sc= -0.165 K(o=0.79,f=-1.2!) USER MOD Set 5.2: A 18 SER OG : rot 180:sc= 0.951 USER MOD Set 6.1: A 8 LYS NZ :NH3+ -106:sc=-0.00136 (180deg=0) USER MOD Set 6.2: A 33 GLN : amide:sc= -0.259 K(o=-0.26,f=-0.95) USER MOD Single : A 1 MET CE :methyl 129:sc= -0.302 (180deg=-1.53!) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.082) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.204 K(o=-0.2,f=-3.2!) USER MOD Single : A 44 MET CE :methyl -158:sc= -0.1 (180deg=-0.976) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -116:sc= -6.71! (180deg=-9.98!) USER MOD Single : A 49 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.3!) USER MOD Single : A 50 ASN : amide:sc= -3.95! C(o=-3.9!,f=-6.8!) USER MOD Single : A 57 SER OG : rot -95:sc= 0.132 USER MOD Single : A 60 ASN :FLIP amide:sc= -10.5! C(o=-14!,f=-10!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -143:sc= -0.511 (180deg=-2.38!) USER MOD Single : A 71 GLN : amide:sc= -0.0817 K(o=-0.082,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0334) USER MOD Single : A 105 ASN : amide:sc= -3.11! C(o=-3.1!,f=-3.9!) USER MOD Single : A 106 ASN : amide:sc= -0.24 K(o=-0.24,f=-1.7!) USER MOD Single : A 110 LYS NZ :NH3+ 168:sc= -1.06 (180deg=-1.29) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl 150:sc= -3.43! (180deg=-7.42!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.566 15.526 8.911 1.00 0.00 N ATOM 2 CA MET A 1 13.159 16.193 7.765 1.00 0.00 C ATOM 3 C MET A 1 12.197 17.223 7.171 1.00 0.00 C ATOM 4 O MET A 1 11.937 18.259 7.781 1.00 0.00 O ATOM 5 CB MET A 1 13.518 15.155 6.699 1.00 0.00 C ATOM 6 CG MET A 1 14.618 14.215 7.198 1.00 0.00 C ATOM 7 SD MET A 1 15.298 13.291 5.830 1.00 0.00 S ATOM 8 CE MET A 1 16.050 14.618 4.903 1.00 0.00 C ATOM 0 H1 MET A 1 13.291 14.960 9.397 1.00 0.00 H new ATOM 0 H2 MET A 1 12.185 16.237 9.567 1.00 0.00 H new ATOM 0 H3 MET A 1 11.797 14.903 8.591 1.00 0.00 H new ATOM 0 HA MET A 1 14.058 16.713 8.096 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.632 14.577 6.436 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.850 15.660 5.792 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.405 14.790 7.686 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.213 13.531 7.944 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.085 14.363 4.677 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.502 14.769 3.973 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.023 15.534 5.493 1.00 0.00 H new ATOM 18 N SER A 2 11.695 16.903 5.987 1.00 0.00 N ATOM 19 CA SER A 2 10.766 17.787 5.304 1.00 0.00 C ATOM 20 C SER A 2 9.337 17.509 5.772 1.00 0.00 C ATOM 21 O SER A 2 8.433 18.307 5.527 1.00 0.00 O ATOM 22 CB SER A 2 10.869 17.627 3.786 1.00 0.00 C ATOM 23 OG SER A 2 10.783 18.877 3.109 1.00 0.00 O ATOM 0 H SER A 2 11.914 16.044 5.483 1.00 0.00 H new ATOM 0 HA SER A 2 11.028 18.816 5.552 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.814 17.144 3.536 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.073 16.970 3.436 1.00 0.00 H new ATOM 0 HG SER A 2 10.855 18.731 2.143 1.00 0.00 H new ATOM 29 N LEU A 3 9.176 16.375 6.437 1.00 0.00 N ATOM 30 CA LEU A 3 7.872 15.982 6.942 1.00 0.00 C ATOM 31 C LEU A 3 8.042 15.282 8.291 1.00 0.00 C ATOM 32 O LEU A 3 8.482 14.134 8.349 1.00 0.00 O ATOM 33 CB LEU A 3 7.126 15.140 5.903 1.00 0.00 C ATOM 34 CG LEU A 3 5.730 15.633 5.519 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.016 16.249 6.723 1.00 0.00 C ATOM 36 CD2 LEU A 3 5.795 16.600 4.335 1.00 0.00 C ATOM 0 H LEU A 3 9.928 15.715 6.638 1.00 0.00 H new ATOM 0 HA LEU A 3 7.250 16.861 7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.734 15.091 5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.039 14.122 6.284 1.00 0.00 H new ATOM 0 HG LEU A 3 5.141 14.773 5.200 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.026 16.591 6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.918 15.501 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.595 17.094 7.096 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.789 16.935 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.408 17.461 4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.235 16.094 3.476 1.00 0.00 H new ATOM 48 N ALA A 4 7.685 16.002 9.344 1.00 0.00 N ATOM 49 CA ALA A 4 7.792 15.465 10.690 1.00 0.00 C ATOM 50 C ALA A 4 7.031 14.140 10.768 1.00 0.00 C ATOM 51 O ALA A 4 7.435 13.230 11.491 1.00 0.00 O ATOM 52 CB ALA A 4 7.272 16.495 11.695 1.00 0.00 C ATOM 0 H ALA A 4 7.321 16.953 9.292 1.00 0.00 H new ATOM 0 HA ALA A 4 8.834 15.263 10.940 1.00 0.00 H new ATOM 0 HB1 ALA A 4 7.353 16.091 12.704 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.864 17.407 11.621 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.228 16.721 11.477 1.00 0.00 H new ATOM 58 N GLU A 5 5.944 14.073 10.014 1.00 0.00 N ATOM 59 CA GLU A 5 5.123 12.874 9.988 1.00 0.00 C ATOM 60 C GLU A 5 5.573 11.947 8.857 1.00 0.00 C ATOM 61 O GLU A 5 5.678 10.736 9.048 1.00 0.00 O ATOM 62 CB GLU A 5 3.641 13.228 9.849 1.00 0.00 C ATOM 63 CG GLU A 5 2.965 13.305 11.220 1.00 0.00 C ATOM 64 CD GLU A 5 1.667 14.112 11.146 1.00 0.00 C ATOM 65 OE1 GLU A 5 1.582 14.969 10.240 1.00 0.00 O ATOM 66 OE2 GLU A 5 0.791 13.854 11.999 1.00 0.00 O ATOM 0 H GLU A 5 5.612 14.830 9.416 1.00 0.00 H new ATOM 0 HA GLU A 5 5.251 12.349 10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 5 3.538 14.184 9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.141 12.480 9.234 1.00 0.00 H new ATOM 0 HG2 GLU A 5 2.752 12.299 11.582 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.643 13.765 11.939 1.00 0.00 H new ATOM 73 N LYS A 6 5.829 12.550 7.706 1.00 0.00 N ATOM 74 CA LYS A 6 6.266 11.793 6.545 1.00 0.00 C ATOM 75 C LYS A 6 5.516 10.460 6.500 1.00 0.00 C ATOM 76 O LYS A 6 6.045 9.463 6.010 1.00 0.00 O ATOM 77 CB LYS A 6 7.788 11.642 6.546 1.00 0.00 C ATOM 78 CG LYS A 6 8.243 10.664 7.631 1.00 0.00 C ATOM 79 CD LYS A 6 9.766 10.523 7.640 1.00 0.00 C ATOM 80 CE LYS A 6 10.200 9.213 6.980 1.00 0.00 C ATOM 81 NZ LYS A 6 10.655 8.244 8.003 1.00 0.00 N ATOM 0 H LYS A 6 5.742 13.555 7.552 1.00 0.00 H new ATOM 0 HA LYS A 6 6.023 12.328 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.122 11.289 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.253 12.614 6.710 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.901 11.012 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.785 9.689 7.462 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.216 11.365 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.132 10.556 8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.369 8.791 6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.004 9.406 6.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.302 7.557 7.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.150 8.750 8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.833 7.743 8.397 1.00 0.00 H new ATOM 95 N ILE A 7 4.296 10.485 7.015 1.00 0.00 N ATOM 96 CA ILE A 7 3.468 9.292 7.040 1.00 0.00 C ATOM 97 C ILE A 7 2.208 9.533 6.207 1.00 0.00 C ATOM 98 O ILE A 7 1.202 10.018 6.724 1.00 0.00 O ATOM 99 CB ILE A 7 3.182 8.867 8.482 1.00 0.00 C ATOM 100 CG1 ILE A 7 2.302 7.616 8.520 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.573 10.021 9.282 1.00 0.00 C ATOM 102 CD1 ILE A 7 3.155 6.346 8.490 1.00 0.00 C ATOM 0 H ILE A 7 3.860 11.314 7.419 1.00 0.00 H new ATOM 0 HA ILE A 7 3.995 8.453 6.585 1.00 0.00 H new ATOM 0 HB ILE A 7 4.128 8.609 8.957 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.689 7.625 9.421 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.620 7.621 7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.379 9.693 10.303 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.268 10.861 9.296 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.638 10.332 8.817 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.506 5.471 8.518 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.749 6.328 7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.819 6.333 9.354 1.00 0.00 H new ATOM 114 N LYS A 8 2.303 9.185 4.933 1.00 0.00 N ATOM 115 CA LYS A 8 1.182 9.357 4.024 1.00 0.00 C ATOM 116 C LYS A 8 0.797 8.000 3.432 1.00 0.00 C ATOM 117 O LYS A 8 1.663 7.174 3.147 1.00 0.00 O ATOM 118 CB LYS A 8 1.506 10.418 2.970 1.00 0.00 C ATOM 119 CG LYS A 8 0.439 11.515 2.951 1.00 0.00 C ATOM 120 CD LYS A 8 1.003 12.817 2.377 1.00 0.00 C ATOM 121 CE LYS A 8 0.188 13.281 1.167 1.00 0.00 C ATOM 122 NZ LYS A 8 0.126 14.759 1.121 1.00 0.00 N ATOM 0 H LYS A 8 3.139 8.784 4.508 1.00 0.00 H new ATOM 0 HA LYS A 8 0.310 9.729 4.561 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.481 10.858 3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.571 9.952 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.413 11.189 2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.072 11.688 3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.994 13.591 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.043 12.670 2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.639 12.901 0.250 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.820 12.870 1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.822 15.076 1.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.835 15.157 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.322 15.085 0.153 1.00 0.00 H new ATOM 136 N VAL A 9 -0.504 7.811 3.265 1.00 0.00 N ATOM 137 CA VAL A 9 -1.015 6.568 2.712 1.00 0.00 C ATOM 138 C VAL A 9 -1.368 6.777 1.238 1.00 0.00 C ATOM 139 O VAL A 9 -2.108 7.699 0.898 1.00 0.00 O ATOM 140 CB VAL A 9 -2.197 6.072 3.546 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.484 4.595 3.266 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.955 6.310 5.037 1.00 0.00 C ATOM 0 H VAL A 9 -1.220 8.498 3.503 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.254 5.789 2.756 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.077 6.646 3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.329 4.267 3.872 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.722 4.464 2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.606 4.000 3.516 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.811 5.948 5.607 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.058 5.775 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.823 7.377 5.218 1.00 0.00 H new ATOM 152 N LEU A 10 -0.823 5.905 0.403 1.00 0.00 N ATOM 153 CA LEU A 10 -1.071 5.983 -1.027 1.00 0.00 C ATOM 154 C LEU A 10 -1.947 4.803 -1.453 1.00 0.00 C ATOM 155 O LEU A 10 -1.546 3.648 -1.318 1.00 0.00 O ATOM 156 CB LEU A 10 0.248 6.078 -1.796 1.00 0.00 C ATOM 157 CG LEU A 10 0.230 5.542 -3.228 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.849 4.146 -3.300 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.187 5.572 -3.807 1.00 0.00 C ATOM 0 H LEU A 10 -0.211 5.141 0.689 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.620 6.893 -1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.554 7.124 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.011 5.537 -1.237 1.00 0.00 H new ATOM 0 HG LEU A 10 0.844 6.198 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.823 3.789 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.883 4.188 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.283 3.464 -2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.172 5.186 -4.826 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.844 4.954 -3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.556 6.598 -3.813 1.00 0.00 H new ATOM 171 N ILE A 11 -3.127 5.135 -1.956 1.00 0.00 N ATOM 172 CA ILE A 11 -4.063 4.117 -2.403 1.00 0.00 C ATOM 173 C ILE A 11 -4.676 4.545 -3.738 1.00 0.00 C ATOM 174 O ILE A 11 -5.452 5.499 -3.790 1.00 0.00 O ATOM 175 CB ILE A 11 -5.097 3.827 -1.314 1.00 0.00 C ATOM 176 CG1 ILE A 11 -6.127 4.955 -1.223 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.419 3.559 0.031 1.00 0.00 C ATOM 178 CD1 ILE A 11 -7.305 4.701 -2.166 1.00 0.00 C ATOM 0 H ILE A 11 -3.456 6.094 -2.064 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.547 3.173 -2.579 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.636 2.920 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.489 5.040 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.654 5.905 -1.474 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.178 3.356 0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.758 2.697 -0.060 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.838 4.433 0.326 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.022 5.518 -2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.943 4.641 -3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.791 3.763 -1.897 1.00 0.00 H new ATOM 190 N VAL A 12 -4.307 3.819 -4.782 1.00 0.00 N ATOM 191 CA VAL A 12 -4.813 4.111 -6.113 1.00 0.00 C ATOM 192 C VAL A 12 -5.286 2.813 -6.770 1.00 0.00 C ATOM 193 O VAL A 12 -4.565 1.817 -6.775 1.00 0.00 O ATOM 194 CB VAL A 12 -3.744 4.840 -6.930 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.473 3.996 -7.047 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.277 5.224 -8.311 1.00 0.00 C ATOM 0 H VAL A 12 -3.664 3.029 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.673 4.779 -6.057 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.488 5.759 -6.403 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.730 4.537 -7.632 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.076 3.796 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.707 3.053 -7.540 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.498 5.741 -8.871 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.575 4.324 -8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.139 5.881 -8.198 1.00 0.00 H new ATOM 206 N ASP A 13 -6.495 2.868 -7.310 1.00 0.00 N ATOM 207 CA ASP A 13 -7.073 1.709 -7.969 1.00 0.00 C ATOM 208 C ASP A 13 -7.816 2.161 -9.228 1.00 0.00 C ATOM 209 O ASP A 13 -8.420 3.233 -9.246 1.00 0.00 O ATOM 210 CB ASP A 13 -8.077 1.001 -7.057 1.00 0.00 C ATOM 211 CG ASP A 13 -7.539 0.618 -5.677 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.323 1.551 -4.874 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.355 -0.599 -5.457 1.00 0.00 O ATOM 0 H ASP A 13 -7.090 3.697 -7.305 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.263 1.023 -8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.944 1.648 -6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.426 0.098 -7.558 1.00 0.00 H new ATOM 218 N ASP A 14 -7.746 1.322 -10.251 1.00 0.00 N ATOM 219 CA ASP A 14 -8.403 1.621 -11.511 1.00 0.00 C ATOM 220 C ASP A 14 -9.902 1.807 -11.268 1.00 0.00 C ATOM 221 O ASP A 14 -10.553 2.597 -11.951 1.00 0.00 O ATOM 222 CB ASP A 14 -8.225 0.479 -12.512 1.00 0.00 C ATOM 223 CG ASP A 14 -8.331 0.883 -13.983 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.301 1.347 -14.519 1.00 0.00 O ATOM 225 OD2 ASP A 14 -9.439 0.721 -14.539 1.00 0.00 O ATOM 0 H ASP A 14 -7.244 0.434 -10.232 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.955 2.528 -11.917 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.250 0.020 -12.347 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.975 -0.284 -12.306 1.00 0.00 H new ATOM 230 N GLN A 15 -10.407 1.066 -10.292 1.00 0.00 N ATOM 231 CA GLN A 15 -11.818 1.139 -9.950 1.00 0.00 C ATOM 232 C GLN A 15 -12.013 1.964 -8.676 1.00 0.00 C ATOM 233 O GLN A 15 -11.225 1.857 -7.737 1.00 0.00 O ATOM 234 CB GLN A 15 -12.417 -0.261 -9.795 1.00 0.00 C ATOM 235 CG GLN A 15 -13.841 -0.312 -10.352 1.00 0.00 C ATOM 236 CD GLN A 15 -14.633 -1.462 -9.728 1.00 0.00 C ATOM 237 OE1 GLN A 15 -14.249 -2.044 -8.728 1.00 0.00 O ATOM 238 NE2 GLN A 15 -15.758 -1.757 -10.373 1.00 0.00 N ATOM 0 H GLN A 15 -9.865 0.412 -9.727 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.345 1.636 -10.765 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.793 -0.987 -10.315 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.424 -0.543 -8.742 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.347 0.633 -10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -13.808 -0.434 -11.435 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -16.022 -1.230 -11.205 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -16.357 -2.510 -10.035 1.00 0.00 H new ATOM 247 N VAL A 16 -13.067 2.766 -8.685 1.00 0.00 N ATOM 248 CA VAL A 16 -13.375 3.609 -7.541 1.00 0.00 C ATOM 249 C VAL A 16 -13.872 2.735 -6.389 1.00 0.00 C ATOM 250 O VAL A 16 -13.504 2.954 -5.236 1.00 0.00 O ATOM 251 CB VAL A 16 -14.378 4.692 -7.946 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.196 5.157 -6.740 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.671 5.870 -8.617 1.00 0.00 C ATOM 0 H VAL A 16 -13.718 2.850 -9.465 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.480 4.126 -7.194 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.067 4.259 -8.671 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.901 5.927 -7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.743 4.311 -6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.527 5.565 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.406 6.625 -8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.949 6.304 -7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.153 5.522 -9.511 1.00 0.00 H new ATOM 263 N THR A 17 -14.699 1.761 -6.740 1.00 0.00 N ATOM 264 CA THR A 17 -15.249 0.852 -5.749 1.00 0.00 C ATOM 265 C THR A 17 -14.125 0.148 -4.987 1.00 0.00 C ATOM 266 O THR A 17 -14.236 -0.088 -3.785 1.00 0.00 O ATOM 267 CB THR A 17 -16.194 -0.114 -6.466 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.486 0.235 -5.974 1.00 0.00 O ATOM 269 CG2 THR A 17 -16.003 -1.563 -6.015 1.00 0.00 C ATOM 0 H THR A 17 -15.002 1.582 -7.697 1.00 0.00 H new ATOM 0 HA THR A 17 -15.822 1.391 -4.994 1.00 0.00 H new ATOM 0 HB THR A 17 -16.035 -0.045 -7.542 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.161 -0.342 -6.389 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.698 -2.207 -6.555 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.980 -1.877 -6.224 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.194 -1.639 -4.945 1.00 0.00 H new ATOM 277 N SER A 18 -13.065 -0.166 -5.719 1.00 0.00 N ATOM 278 CA SER A 18 -11.920 -0.839 -5.127 1.00 0.00 C ATOM 279 C SER A 18 -11.155 0.130 -4.223 1.00 0.00 C ATOM 280 O SER A 18 -10.971 -0.138 -3.036 1.00 0.00 O ATOM 281 CB SER A 18 -10.994 -1.401 -6.207 1.00 0.00 C ATOM 282 OG SER A 18 -11.502 -2.606 -6.772 1.00 0.00 O ATOM 0 H SER A 18 -12.975 0.033 -6.715 1.00 0.00 H new ATOM 0 HA SER A 18 -12.284 -1.674 -4.528 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.863 -0.659 -6.994 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.009 -1.588 -5.779 1.00 0.00 H new ATOM 0 HG SER A 18 -10.886 -2.929 -7.462 1.00 0.00 H new ATOM 288 N ARG A 19 -10.730 1.235 -4.818 1.00 0.00 N ATOM 289 CA ARG A 19 -9.989 2.244 -4.080 1.00 0.00 C ATOM 290 C ARG A 19 -10.850 2.818 -2.954 1.00 0.00 C ATOM 291 O ARG A 19 -10.331 3.222 -1.915 1.00 0.00 O ATOM 292 CB ARG A 19 -9.541 3.381 -5.001 1.00 0.00 C ATOM 293 CG ARG A 19 -10.739 4.024 -5.701 1.00 0.00 C ATOM 294 CD ARG A 19 -11.411 5.060 -4.796 1.00 0.00 C ATOM 295 NE ARG A 19 -11.426 6.381 -5.464 1.00 0.00 N ATOM 296 CZ ARG A 19 -11.767 7.525 -4.857 1.00 0.00 C ATOM 297 NH1 ARG A 19 -12.122 7.518 -3.566 1.00 0.00 N ATOM 298 NH2 ARG A 19 -11.751 8.677 -5.543 1.00 0.00 N ATOM 0 H ARG A 19 -10.885 1.454 -5.802 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.106 1.764 -3.657 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.007 4.134 -4.422 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.843 2.997 -5.745 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.412 4.500 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -11.460 3.254 -5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.430 4.748 -4.566 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.877 5.128 -3.848 1.00 0.00 H new ATOM 0 HE ARG A 19 -11.160 6.422 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.133 6.641 -3.045 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.382 8.389 -3.104 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.479 8.681 -6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.011 9.549 -5.082 1.00 0.00 H new ATOM 312 N LEU A 20 -12.152 2.837 -3.199 1.00 0.00 N ATOM 313 CA LEU A 20 -13.091 3.355 -2.219 1.00 0.00 C ATOM 314 C LEU A 20 -13.183 2.381 -1.042 1.00 0.00 C ATOM 315 O LEU A 20 -13.173 2.798 0.115 1.00 0.00 O ATOM 316 CB LEU A 20 -14.440 3.655 -2.875 1.00 0.00 C ATOM 317 CG LEU A 20 -15.596 3.964 -1.921 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.495 5.065 -2.488 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.383 2.696 -1.586 1.00 0.00 C ATOM 0 H LEU A 20 -12.579 2.502 -4.063 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.738 4.306 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.314 4.503 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.721 2.800 -3.490 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.178 4.339 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.309 5.265 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.910 5.973 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.908 4.742 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.199 2.943 -0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.790 2.268 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.721 1.972 -1.110 1.00 0.00 H new ATOM 331 N LEU A 21 -13.269 1.103 -1.379 1.00 0.00 N ATOM 332 CA LEU A 21 -13.362 0.066 -0.365 1.00 0.00 C ATOM 333 C LEU A 21 -12.092 0.076 0.486 1.00 0.00 C ATOM 334 O LEU A 21 -12.159 0.223 1.707 1.00 0.00 O ATOM 335 CB LEU A 21 -13.660 -1.289 -1.009 1.00 0.00 C ATOM 336 CG LEU A 21 -15.095 -1.498 -1.501 1.00 0.00 C ATOM 337 CD1 LEU A 21 -15.158 -2.608 -2.551 1.00 0.00 C ATOM 338 CD2 LEU A 21 -16.041 -1.763 -0.328 1.00 0.00 C ATOM 0 H LEU A 21 -13.276 0.762 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.198 0.264 0.306 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.984 -1.424 -1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.427 -2.071 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.429 -0.580 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -16.188 -2.736 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.532 -2.339 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.798 -3.541 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.054 -1.908 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.719 -2.658 0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.025 -0.911 0.352 1.00 0.00 H new ATOM 350 N LEU A 22 -10.963 -0.082 -0.189 1.00 0.00 N ATOM 351 CA LEU A 22 -9.679 -0.093 0.490 1.00 0.00 C ATOM 352 C LEU A 22 -9.511 1.209 1.276 1.00 0.00 C ATOM 353 O LEU A 22 -9.132 1.187 2.447 1.00 0.00 O ATOM 354 CB LEU A 22 -8.548 -0.359 -0.505 1.00 0.00 C ATOM 355 CG LEU A 22 -8.556 0.496 -1.774 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.650 1.719 -1.616 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.184 -0.339 -3.001 1.00 0.00 C ATOM 0 H LEU A 22 -10.911 -0.204 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.637 -0.910 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.598 -0.206 0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.587 -1.408 -0.797 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.570 0.864 -1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.673 2.310 -2.532 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.002 2.327 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.629 1.392 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.197 0.293 -3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.186 -0.757 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.903 -1.149 -3.121 1.00 0.00 H new ATOM 369 N GLY A 23 -9.804 2.312 0.603 1.00 0.00 N ATOM 370 CA GLY A 23 -9.690 3.620 1.224 1.00 0.00 C ATOM 371 C GLY A 23 -10.709 3.781 2.354 1.00 0.00 C ATOM 372 O GLY A 23 -10.460 4.496 3.323 1.00 0.00 O ATOM 0 H GLY A 23 -10.120 2.326 -0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.682 3.753 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.846 4.397 0.475 1.00 0.00 H new ATOM 376 N ASP A 24 -11.837 3.104 2.192 1.00 0.00 N ATOM 377 CA ASP A 24 -12.895 3.162 3.185 1.00 0.00 C ATOM 378 C ASP A 24 -12.479 2.352 4.415 1.00 0.00 C ATOM 379 O ASP A 24 -12.588 2.830 5.543 1.00 0.00 O ATOM 380 CB ASP A 24 -14.194 2.564 2.643 1.00 0.00 C ATOM 381 CG ASP A 24 -15.375 2.592 3.616 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.193 2.083 4.743 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.433 3.120 3.210 1.00 0.00 O ATOM 0 H ASP A 24 -12.041 2.512 1.387 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.060 4.209 3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.475 3.104 1.739 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.007 1.530 2.352 1.00 0.00 H new ATOM 388 N ALA A 25 -12.011 1.141 4.155 1.00 0.00 N ATOM 389 CA ALA A 25 -11.578 0.260 5.227 1.00 0.00 C ATOM 390 C ALA A 25 -10.498 0.960 6.052 1.00 0.00 C ATOM 391 O ALA A 25 -10.530 0.927 7.281 1.00 0.00 O ATOM 392 CB ALA A 25 -11.093 -1.066 4.635 1.00 0.00 C ATOM 0 H ALA A 25 -11.922 0.748 3.218 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.408 0.034 5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.768 -1.726 5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.907 -1.538 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.258 -0.879 3.960 1.00 0.00 H new ATOM 398 N LEU A 26 -9.564 1.578 5.342 1.00 0.00 N ATOM 399 CA LEU A 26 -8.475 2.285 5.994 1.00 0.00 C ATOM 400 C LEU A 26 -9.014 3.568 6.630 1.00 0.00 C ATOM 401 O LEU A 26 -8.445 4.072 7.597 1.00 0.00 O ATOM 402 CB LEU A 26 -7.326 2.522 5.011 1.00 0.00 C ATOM 403 CG LEU A 26 -6.164 1.529 5.087 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.675 0.095 5.222 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.225 1.694 3.891 1.00 0.00 C ATOM 0 H LEU A 26 -9.540 1.603 4.323 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.056 1.681 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.730 2.502 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.933 3.525 5.177 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.585 1.748 5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.828 -0.590 5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.271 0.005 6.130 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.291 -0.155 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.408 0.977 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.777 1.517 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.820 2.706 3.883 1.00 0.00 H new ATOM 417 N GLN A 27 -10.105 4.060 6.061 1.00 0.00 N ATOM 418 CA GLN A 27 -10.727 5.274 6.561 1.00 0.00 C ATOM 419 C GLN A 27 -11.182 5.080 8.009 1.00 0.00 C ATOM 420 O GLN A 27 -10.885 5.905 8.872 1.00 0.00 O ATOM 421 CB GLN A 27 -11.897 5.697 5.670 1.00 0.00 C ATOM 422 CG GLN A 27 -13.229 5.555 6.410 1.00 0.00 C ATOM 423 CD GLN A 27 -14.380 6.128 5.580 1.00 0.00 C ATOM 424 OE1 GLN A 27 -14.321 7.233 5.067 1.00 0.00 O ATOM 425 NE2 GLN A 27 -15.429 5.316 5.479 1.00 0.00 N ATOM 0 H GLN A 27 -10.574 3.640 5.259 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.987 6.074 6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.762 6.731 5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.911 5.086 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.419 4.504 6.626 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.174 6.072 7.368 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.413 4.403 5.934 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.249 5.606 4.947 1.00 0.00 H new ATOM 434 N GLN A 28 -11.896 3.986 8.230 1.00 0.00 N ATOM 435 CA GLN A 28 -12.395 3.674 9.558 1.00 0.00 C ATOM 436 C GLN A 28 -11.230 3.429 10.519 1.00 0.00 C ATOM 437 O GLN A 28 -11.422 3.375 11.732 1.00 0.00 O ATOM 438 CB GLN A 28 -13.337 2.470 9.521 1.00 0.00 C ATOM 439 CG GLN A 28 -14.742 2.857 9.985 1.00 0.00 C ATOM 440 CD GLN A 28 -15.633 3.219 8.795 1.00 0.00 C ATOM 441 OE1 GLN A 28 -15.169 3.600 7.732 1.00 0.00 O ATOM 442 NE2 GLN A 28 -16.934 3.080 9.030 1.00 0.00 N ATOM 0 H GLN A 28 -12.141 3.305 7.511 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.966 4.529 9.920 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.382 2.070 8.508 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -12.945 1.678 10.159 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.187 2.030 10.538 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.682 3.703 10.670 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.256 2.756 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.610 3.297 8.298 1.00 0.00 H new ATOM 451 N LEU A 29 -10.047 3.288 9.940 1.00 0.00 N ATOM 452 CA LEU A 29 -8.851 3.051 10.730 1.00 0.00 C ATOM 453 C LEU A 29 -8.130 4.379 10.967 1.00 0.00 C ATOM 454 O LEU A 29 -7.244 4.465 11.817 1.00 0.00 O ATOM 455 CB LEU A 29 -7.974 1.985 10.068 1.00 0.00 C ATOM 456 CG LEU A 29 -6.486 2.320 9.950 1.00 0.00 C ATOM 457 CD1 LEU A 29 -5.809 2.300 11.322 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.791 1.387 8.954 1.00 0.00 C ATOM 0 H LEU A 29 -9.891 3.333 8.933 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.115 2.651 11.709 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.074 1.058 10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.363 1.792 9.068 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.394 3.334 9.560 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.752 2.541 11.210 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.282 3.036 11.972 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.910 1.308 11.763 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.734 1.646 8.889 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.891 0.355 9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.252 1.494 7.972 1.00 0.00 H new ATOM 470 N GLY A 30 -8.536 5.381 10.202 1.00 0.00 N ATOM 471 CA GLY A 30 -7.940 6.701 10.319 1.00 0.00 C ATOM 472 C GLY A 30 -6.480 6.687 9.859 1.00 0.00 C ATOM 473 O GLY A 30 -5.658 7.448 10.365 1.00 0.00 O ATOM 0 H GLY A 30 -9.271 5.306 9.498 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.507 7.414 9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.996 7.039 11.354 1.00 0.00 H new ATOM 477 N PHE A 31 -6.204 5.812 8.902 1.00 0.00 N ATOM 478 CA PHE A 31 -4.858 5.688 8.367 1.00 0.00 C ATOM 479 C PHE A 31 -4.032 6.941 8.667 1.00 0.00 C ATOM 480 O PHE A 31 -3.540 7.113 9.780 1.00 0.00 O ATOM 481 CB PHE A 31 -4.992 5.530 6.852 1.00 0.00 C ATOM 482 CG PHE A 31 -5.997 6.490 6.212 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.246 6.615 6.736 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.641 7.217 5.120 1.00 0.00 C ATOM 485 CE1 PHE A 31 -8.179 7.506 6.142 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.574 8.109 4.526 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.823 8.235 5.050 1.00 0.00 C ATOM 0 H PHE A 31 -6.889 5.183 8.484 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.353 4.835 8.821 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.015 5.684 6.393 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.291 4.506 6.629 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.528 6.037 7.604 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.649 7.117 4.704 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.171 7.605 6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.292 8.687 3.658 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.532 8.914 4.599 1.00 0.00 H new ATOM 497 N LYS A 32 -3.905 7.783 7.652 1.00 0.00 N ATOM 498 CA LYS A 32 -3.147 9.015 7.792 1.00 0.00 C ATOM 499 C LYS A 32 -3.523 9.971 6.658 1.00 0.00 C ATOM 500 O LYS A 32 -3.947 11.098 6.907 1.00 0.00 O ATOM 501 CB LYS A 32 -1.649 8.715 7.873 1.00 0.00 C ATOM 502 CG LYS A 32 -0.973 9.582 8.938 1.00 0.00 C ATOM 503 CD LYS A 32 -0.969 11.055 8.524 1.00 0.00 C ATOM 504 CE LYS A 32 -1.519 11.941 9.645 1.00 0.00 C ATOM 505 NZ LYS A 32 -1.854 13.284 9.125 1.00 0.00 N ATOM 0 H LYS A 32 -4.314 7.636 6.729 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.400 9.515 8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.498 7.661 8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.185 8.896 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.494 9.469 9.889 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.051 9.241 9.093 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.046 11.364 8.276 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.570 11.185 7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.407 11.480 10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.782 12.027 10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.226 13.873 9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.999 13.727 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.573 13.198 8.379 1.00 0.00 H new ATOM 519 N GLN A 33 -3.351 9.487 5.437 1.00 0.00 N ATOM 520 CA GLN A 33 -3.667 10.284 4.264 1.00 0.00 C ATOM 521 C GLN A 33 -3.887 9.380 3.050 1.00 0.00 C ATOM 522 O GLN A 33 -3.039 8.548 2.729 1.00 0.00 O ATOM 523 CB GLN A 33 -2.568 11.313 3.989 1.00 0.00 C ATOM 524 CG GLN A 33 -3.029 12.721 4.369 1.00 0.00 C ATOM 525 CD GLN A 33 -2.503 13.757 3.372 1.00 0.00 C ATOM 526 OE1 GLN A 33 -2.829 13.748 2.196 1.00 0.00 O ATOM 527 NE2 GLN A 33 -1.672 14.649 3.905 1.00 0.00 N ATOM 0 H GLN A 33 -2.997 8.552 5.234 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.591 10.829 4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.673 11.054 4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.297 11.288 2.934 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.118 12.756 4.395 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.678 12.965 5.372 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.440 14.601 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.267 15.381 3.322 1.00 0.00 H new ATOM 536 N ILE A 34 -5.030 9.572 2.408 1.00 0.00 N ATOM 537 CA ILE A 34 -5.372 8.784 1.237 1.00 0.00 C ATOM 538 C ILE A 34 -4.980 9.556 -0.025 1.00 0.00 C ATOM 539 O ILE A 34 -5.570 10.591 -0.332 1.00 0.00 O ATOM 540 CB ILE A 34 -6.847 8.378 1.276 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.714 9.513 1.825 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.037 7.080 2.062 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.105 9.498 1.190 1.00 0.00 C ATOM 0 H ILE A 34 -5.731 10.262 2.677 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.808 7.851 1.228 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.176 8.187 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.803 9.416 2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.232 10.471 1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.094 6.814 2.075 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.467 6.281 1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.686 7.219 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.700 10.315 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.014 9.620 0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.594 8.549 1.408 1.00 0.00 H new ATOM 555 N THR A 35 -3.988 9.022 -0.722 1.00 0.00 N ATOM 556 CA THR A 35 -3.511 9.649 -1.943 1.00 0.00 C ATOM 557 C THR A 35 -3.609 8.673 -3.117 1.00 0.00 C ATOM 558 O THR A 35 -2.955 7.631 -3.119 1.00 0.00 O ATOM 559 CB THR A 35 -2.089 10.155 -1.691 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.259 11.541 -1.408 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.227 10.136 -2.954 1.00 0.00 C ATOM 0 H THR A 35 -3.502 8.163 -0.465 1.00 0.00 H new ATOM 0 HA THR A 35 -4.131 10.502 -2.217 1.00 0.00 H new ATOM 0 HB THR A 35 -1.618 9.543 -0.922 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.385 11.948 -1.231 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.229 10.505 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.157 9.116 -3.332 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.680 10.774 -3.713 1.00 0.00 H new ATOM 569 N ALA A 36 -4.430 9.046 -4.087 1.00 0.00 N ATOM 570 CA ALA A 36 -4.622 8.215 -5.265 1.00 0.00 C ATOM 571 C ALA A 36 -4.327 9.040 -6.519 1.00 0.00 C ATOM 572 O ALA A 36 -4.677 10.217 -6.589 1.00 0.00 O ATOM 573 CB ALA A 36 -6.042 7.646 -5.263 1.00 0.00 C ATOM 0 H ALA A 36 -4.970 9.911 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.933 7.371 -5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.186 7.023 -6.146 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.192 7.044 -4.366 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.762 8.464 -5.275 1.00 0.00 H new ATOM 579 N ALA A 37 -3.686 8.390 -7.479 1.00 0.00 N ATOM 580 CA ALA A 37 -3.340 9.050 -8.727 1.00 0.00 C ATOM 581 C ALA A 37 -3.325 8.017 -9.857 1.00 0.00 C ATOM 582 O ALA A 37 -2.712 6.959 -9.729 1.00 0.00 O ATOM 583 CB ALA A 37 -1.995 9.762 -8.572 1.00 0.00 C ATOM 0 H ALA A 37 -3.397 7.414 -7.418 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.083 9.807 -8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.735 10.257 -9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.066 10.504 -7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.224 9.033 -8.321 1.00 0.00 H new ATOM 589 N GLY A 38 -4.010 8.362 -10.938 1.00 0.00 N ATOM 590 CA GLY A 38 -4.083 7.479 -12.090 1.00 0.00 C ATOM 591 C GLY A 38 -4.038 6.012 -11.659 1.00 0.00 C ATOM 592 O GLY A 38 -5.076 5.405 -11.400 1.00 0.00 O ATOM 0 H GLY A 38 -4.519 9.240 -11.040 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.003 7.671 -12.643 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.255 7.689 -12.767 1.00 0.00 H new ATOM 596 N ASP A 39 -2.824 5.484 -11.597 1.00 0.00 N ATOM 597 CA ASP A 39 -2.629 4.099 -11.202 1.00 0.00 C ATOM 598 C ASP A 39 -1.320 3.975 -10.421 1.00 0.00 C ATOM 599 O ASP A 39 -0.692 4.980 -10.090 1.00 0.00 O ATOM 600 CB ASP A 39 -2.539 3.185 -12.426 1.00 0.00 C ATOM 601 CG ASP A 39 -3.672 2.165 -12.557 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.246 1.817 -11.503 1.00 0.00 O ATOM 603 OD2 ASP A 39 -3.937 1.757 -13.708 1.00 0.00 O ATOM 0 H ASP A 39 -1.966 5.990 -11.814 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.480 3.800 -10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.523 3.804 -13.323 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.590 2.649 -12.392 1.00 0.00 H new ATOM 608 N GLY A 40 -0.945 2.733 -10.148 1.00 0.00 N ATOM 609 CA GLY A 40 0.278 2.464 -9.413 1.00 0.00 C ATOM 610 C GLY A 40 1.406 3.392 -9.868 1.00 0.00 C ATOM 611 O GLY A 40 2.142 3.931 -9.042 1.00 0.00 O ATOM 0 H GLY A 40 -1.468 1.902 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.102 2.596 -8.346 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.575 1.426 -9.561 1.00 0.00 H new ATOM 615 N GLU A 41 1.507 3.550 -11.178 1.00 0.00 N ATOM 616 CA GLU A 41 2.533 4.404 -11.753 1.00 0.00 C ATOM 617 C GLU A 41 2.270 5.867 -11.391 1.00 0.00 C ATOM 618 O GLU A 41 3.135 6.536 -10.827 1.00 0.00 O ATOM 619 CB GLU A 41 2.613 4.221 -13.270 1.00 0.00 C ATOM 620 CG GLU A 41 3.640 3.147 -13.639 1.00 0.00 C ATOM 621 CD GLU A 41 5.059 3.605 -13.295 1.00 0.00 C ATOM 622 OE1 GLU A 41 5.169 4.653 -12.622 1.00 0.00 O ATOM 623 OE2 GLU A 41 6.000 2.898 -13.713 1.00 0.00 O ATOM 0 H GLU A 41 0.895 3.101 -11.859 1.00 0.00 H new ATOM 0 HA GLU A 41 3.496 4.113 -11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.634 3.942 -13.658 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.885 5.166 -13.740 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.413 2.223 -13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.574 2.926 -14.704 1.00 0.00 H new ATOM 630 N GLN A 42 1.073 6.321 -11.730 1.00 0.00 N ATOM 631 CA GLN A 42 0.685 7.693 -11.448 1.00 0.00 C ATOM 632 C GLN A 42 0.730 7.958 -9.943 1.00 0.00 C ATOM 633 O GLN A 42 1.245 8.987 -9.505 1.00 0.00 O ATOM 634 CB GLN A 42 -0.703 7.998 -12.017 1.00 0.00 C ATOM 635 CG GLN A 42 -0.767 9.423 -12.571 1.00 0.00 C ATOM 636 CD GLN A 42 -1.097 9.417 -14.064 1.00 0.00 C ATOM 637 OE1 GLN A 42 -2.165 9.007 -14.489 1.00 0.00 O ATOM 638 NE2 GLN A 42 -0.124 9.893 -14.836 1.00 0.00 N ATOM 0 H GLN A 42 0.358 5.763 -12.198 1.00 0.00 H new ATOM 0 HA GLN A 42 1.396 8.359 -11.936 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.941 7.286 -12.807 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.455 7.873 -11.238 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.522 9.993 -12.030 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.188 9.923 -12.408 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.746 10.221 -14.416 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.248 9.931 -15.848 1.00 0.00 H new ATOM 647 N GLY A 43 0.185 7.014 -9.190 1.00 0.00 N ATOM 648 CA GLY A 43 0.157 7.133 -7.743 1.00 0.00 C ATOM 649 C GLY A 43 1.562 6.985 -7.154 1.00 0.00 C ATOM 650 O GLY A 43 1.838 7.488 -6.065 1.00 0.00 O ATOM 0 H GLY A 43 -0.241 6.162 -9.556 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.259 8.100 -7.462 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.499 6.370 -7.324 1.00 0.00 H new ATOM 654 N MET A 44 2.411 6.292 -7.898 1.00 0.00 N ATOM 655 CA MET A 44 3.779 6.071 -7.462 1.00 0.00 C ATOM 656 C MET A 44 4.574 7.378 -7.471 1.00 0.00 C ATOM 657 O MET A 44 5.232 7.715 -6.487 1.00 0.00 O ATOM 658 CB MET A 44 4.453 5.058 -8.389 1.00 0.00 C ATOM 659 CG MET A 44 5.974 5.215 -8.361 1.00 0.00 C ATOM 660 SD MET A 44 6.561 5.179 -6.675 1.00 0.00 S ATOM 661 CE MET A 44 8.289 5.536 -6.942 1.00 0.00 C ATOM 0 H MET A 44 2.178 5.876 -8.800 1.00 0.00 H new ATOM 0 HA MET A 44 3.758 5.686 -6.442 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.183 4.047 -8.086 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.089 5.193 -9.407 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.441 4.414 -8.934 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.260 6.154 -8.834 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.870 5.179 -6.091 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.628 5.035 -7.849 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.426 6.612 -7.049 1.00 0.00 H new ATOM 671 N LYS A 45 4.488 8.079 -8.592 1.00 0.00 N ATOM 672 CA LYS A 45 5.192 9.342 -8.741 1.00 0.00 C ATOM 673 C LYS A 45 4.527 10.398 -7.858 1.00 0.00 C ATOM 674 O LYS A 45 5.196 11.294 -7.344 1.00 0.00 O ATOM 675 CB LYS A 45 5.275 9.737 -10.217 1.00 0.00 C ATOM 676 CG LYS A 45 3.879 9.958 -10.804 1.00 0.00 C ATOM 677 CD LYS A 45 3.891 9.784 -12.325 1.00 0.00 C ATOM 678 CE LYS A 45 4.008 11.136 -13.031 1.00 0.00 C ATOM 679 NZ LYS A 45 4.695 10.983 -14.333 1.00 0.00 N ATOM 0 H LYS A 45 3.942 7.797 -9.406 1.00 0.00 H new ATOM 0 HA LYS A 45 6.223 9.247 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.866 10.647 -10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.790 8.957 -10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.177 9.253 -10.359 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.528 10.959 -10.551 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.725 9.145 -12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.978 9.281 -12.644 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.016 11.560 -13.184 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.559 11.835 -12.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.766 11.910 -14.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.649 10.599 -14.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.153 10.333 -14.937 1.00 0.00 H new ATOM 693 N ILE A 46 3.218 10.260 -7.707 1.00 0.00 N ATOM 694 CA ILE A 46 2.455 11.192 -6.894 1.00 0.00 C ATOM 695 C ILE A 46 2.764 10.945 -5.416 1.00 0.00 C ATOM 696 O ILE A 46 2.773 11.879 -4.616 1.00 0.00 O ATOM 697 CB ILE A 46 0.966 11.104 -7.234 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.613 12.030 -8.399 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.106 11.383 -5.999 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.648 11.918 -9.521 1.00 0.00 C ATOM 0 H ILE A 46 2.666 9.516 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 46 2.749 12.218 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 46 0.748 10.086 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.375 11.776 -8.784 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.563 13.060 -8.047 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.948 11.314 -6.267 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.332 10.650 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.321 12.384 -5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.374 12.586 -10.337 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.630 12.196 -9.139 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.678 10.892 -9.887 1.00 0.00 H new ATOM 712 N MET A 47 3.013 9.683 -5.100 1.00 0.00 N ATOM 713 CA MET A 47 3.322 9.301 -3.732 1.00 0.00 C ATOM 714 C MET A 47 4.781 9.615 -3.392 1.00 0.00 C ATOM 715 O MET A 47 5.068 10.188 -2.343 1.00 0.00 O ATOM 716 CB MET A 47 3.066 7.804 -3.549 1.00 0.00 C ATOM 717 CG MET A 47 4.027 7.205 -2.521 1.00 0.00 C ATOM 718 SD MET A 47 5.383 6.394 -3.351 1.00 0.00 S ATOM 719 CE MET A 47 4.569 4.894 -3.879 1.00 0.00 C ATOM 0 H MET A 47 3.007 8.912 -5.767 1.00 0.00 H new ATOM 0 HA MET A 47 2.680 9.872 -3.061 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.037 7.644 -3.227 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.184 7.292 -4.504 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.407 7.989 -1.867 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.498 6.492 -1.889 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.027 4.038 -3.384 1.00 0.00 H new ATOM 0 HE2 MET A 47 3.512 4.942 -3.617 1.00 0.00 H new ATOM 0 HE3 MET A 47 4.671 4.785 -4.959 1.00 0.00 H new ATOM 729 N ALA A 48 5.664 9.226 -4.300 1.00 0.00 N ATOM 730 CA ALA A 48 7.085 9.458 -4.109 1.00 0.00 C ATOM 731 C ALA A 48 7.347 10.964 -4.047 1.00 0.00 C ATOM 732 O ALA A 48 8.126 11.428 -3.216 1.00 0.00 O ATOM 733 CB ALA A 48 7.869 8.776 -5.232 1.00 0.00 C ATOM 0 H ALA A 48 5.422 8.752 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 48 7.422 9.025 -3.167 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.935 8.950 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.671 7.704 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.560 9.187 -6.193 1.00 0.00 H new ATOM 739 N GLN A 49 6.681 11.686 -4.936 1.00 0.00 N ATOM 740 CA GLN A 49 6.832 13.130 -4.992 1.00 0.00 C ATOM 741 C GLN A 49 6.620 13.740 -3.606 1.00 0.00 C ATOM 742 O GLN A 49 7.049 14.864 -3.346 1.00 0.00 O ATOM 743 CB GLN A 49 5.872 13.742 -6.014 1.00 0.00 C ATOM 744 CG GLN A 49 6.574 13.977 -7.353 1.00 0.00 C ATOM 745 CD GLN A 49 7.251 15.349 -7.385 1.00 0.00 C ATOM 746 OE1 GLN A 49 6.774 16.319 -6.818 1.00 0.00 O ATOM 747 NE2 GLN A 49 8.387 15.376 -8.076 1.00 0.00 N ATOM 0 H GLN A 49 6.035 11.298 -5.624 1.00 0.00 H new ATOM 0 HA GLN A 49 7.848 13.358 -5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.018 13.080 -6.158 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.483 14.686 -5.633 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.317 13.197 -7.520 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.850 13.906 -8.165 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.730 14.528 -8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.915 16.245 -8.156 1.00 0.00 H new ATOM 756 N ASN A 50 5.959 12.973 -2.751 1.00 0.00 N ATOM 757 CA ASN A 50 5.684 13.424 -1.398 1.00 0.00 C ATOM 758 C ASN A 50 5.916 12.268 -0.423 1.00 0.00 C ATOM 759 O ASN A 50 6.360 11.193 -0.823 1.00 0.00 O ATOM 760 CB ASN A 50 4.231 13.881 -1.254 1.00 0.00 C ATOM 761 CG ASN A 50 3.586 14.096 -2.624 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.183 14.628 -3.544 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.334 13.653 -2.707 1.00 0.00 N ATOM 0 H ASN A 50 5.606 12.041 -2.970 1.00 0.00 H new ATOM 0 HA ASN A 50 6.348 14.261 -1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.665 13.136 -0.695 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.192 14.807 -0.680 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.816 13.750 -3.580 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.893 13.216 -1.898 1.00 0.00 H new ATOM 770 N PRO A 51 5.596 12.536 0.871 1.00 0.00 N ATOM 771 CA PRO A 51 5.764 11.531 1.907 1.00 0.00 C ATOM 772 C PRO A 51 4.669 10.466 1.821 1.00 0.00 C ATOM 773 O PRO A 51 3.550 10.753 1.399 1.00 0.00 O ATOM 774 CB PRO A 51 5.738 12.305 3.215 1.00 0.00 C ATOM 775 CG PRO A 51 5.093 13.643 2.894 1.00 0.00 C ATOM 776 CD PRO A 51 5.068 13.798 1.382 1.00 0.00 C ATOM 0 HA PRO A 51 6.697 10.976 1.807 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.169 11.769 3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.745 12.441 3.608 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.082 13.686 3.299 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.655 14.457 3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.056 13.980 1.019 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.678 14.642 1.060 1.00 0.00 H new ATOM 784 N HIS A 52 5.030 9.257 2.227 1.00 0.00 N ATOM 785 CA HIS A 52 4.093 8.147 2.200 1.00 0.00 C ATOM 786 C HIS A 52 4.638 6.995 3.046 1.00 0.00 C ATOM 787 O HIS A 52 5.844 6.901 3.272 1.00 0.00 O ATOM 788 CB HIS A 52 3.784 7.731 0.761 1.00 0.00 C ATOM 789 CG HIS A 52 4.865 6.897 0.117 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.082 7.424 -0.279 1.00 0.00 N ATOM 791 CD2 HIS A 52 4.900 5.570 -0.195 1.00 0.00 C ATOM 792 CE1 HIS A 52 6.809 6.449 -0.805 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.075 5.300 -0.753 1.00 0.00 N ATOM 0 H HIS A 52 5.959 9.022 2.577 1.00 0.00 H new ATOM 0 HA HIS A 52 3.144 8.457 2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.850 7.169 0.749 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.625 8.627 0.161 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.107 4.859 -0.018 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.808 6.547 -1.205 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.378 4.385 -1.087 1.00 0.00 H new ATOM 802 N HIS A 53 3.722 6.146 3.491 1.00 0.00 N ATOM 803 CA HIS A 53 4.097 5.004 4.308 1.00 0.00 C ATOM 804 C HIS A 53 3.157 3.832 4.011 1.00 0.00 C ATOM 805 O HIS A 53 3.103 2.867 4.772 1.00 0.00 O ATOM 806 CB HIS A 53 4.124 5.381 5.790 1.00 0.00 C ATOM 807 CG HIS A 53 4.720 4.319 6.683 1.00 0.00 C ATOM 808 ND1 HIS A 53 3.958 3.550 7.545 1.00 0.00 N ATOM 809 CD2 HIS A 53 6.010 3.906 6.838 1.00 0.00 C ATOM 810 CE1 HIS A 53 4.763 2.716 8.185 1.00 0.00 C ATOM 811 NE2 HIS A 53 6.036 2.939 7.747 1.00 0.00 N ATOM 0 H HIS A 53 2.723 6.226 3.301 1.00 0.00 H new ATOM 0 HA HIS A 53 5.109 4.688 4.056 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.693 6.303 5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.106 5.589 6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.866 4.299 6.310 1.00 0.00 H new ATOM 0 HE1 HIS A 53 4.464 1.987 8.924 1.00 0.00 H new ATOM 0 HE2 HIS A 53 6.869 2.445 8.065 1.00 0.00 H new ATOM 820 N LEU A 54 2.441 3.955 2.903 1.00 0.00 N ATOM 821 CA LEU A 54 1.508 2.918 2.497 1.00 0.00 C ATOM 822 C LEU A 54 1.277 3.010 0.987 1.00 0.00 C ATOM 823 O LEU A 54 1.047 4.095 0.456 1.00 0.00 O ATOM 824 CB LEU A 54 0.222 3.002 3.322 1.00 0.00 C ATOM 825 CG LEU A 54 0.090 1.992 4.463 1.00 0.00 C ATOM 826 CD1 LEU A 54 -0.047 2.702 5.811 1.00 0.00 C ATOM 827 CD2 LEU A 54 -1.065 1.022 4.206 1.00 0.00 C ATOM 0 H LEU A 54 2.488 4.757 2.274 1.00 0.00 H new ATOM 0 HA LEU A 54 1.924 1.931 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.148 4.005 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.626 2.874 2.650 1.00 0.00 H new ATOM 0 HG LEU A 54 1.005 1.400 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.139 1.961 6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.835 3.317 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.935 3.335 5.800 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.137 0.315 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.998 1.580 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.885 0.479 3.278 1.00 0.00 H new ATOM 839 N VAL A 55 1.346 1.857 0.339 1.00 0.00 N ATOM 840 CA VAL A 55 1.148 1.792 -1.098 1.00 0.00 C ATOM 841 C VAL A 55 0.207 0.632 -1.428 1.00 0.00 C ATOM 842 O VAL A 55 0.649 -0.508 -1.571 1.00 0.00 O ATOM 843 CB VAL A 55 2.498 1.687 -1.809 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.329 1.800 -3.326 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.476 2.743 -1.287 1.00 0.00 C ATOM 0 H VAL A 55 1.537 0.959 0.784 1.00 0.00 H new ATOM 0 HA VAL A 55 0.676 2.706 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 55 2.916 0.705 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.304 1.722 -3.807 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.684 0.996 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.879 2.762 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.428 2.647 -1.809 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.065 3.737 -1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.632 2.598 -0.218 1.00 0.00 H new ATOM 855 N ILE A 56 -1.071 0.960 -1.538 1.00 0.00 N ATOM 856 CA ILE A 56 -2.078 -0.042 -1.849 1.00 0.00 C ATOM 857 C ILE A 56 -2.671 0.248 -3.229 1.00 0.00 C ATOM 858 O ILE A 56 -2.963 1.398 -3.554 1.00 0.00 O ATOM 859 CB ILE A 56 -3.122 -0.115 -0.733 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.351 0.728 -1.076 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.514 0.281 0.614 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.228 0.022 -2.113 1.00 0.00 C ATOM 0 H ILE A 56 -1.434 1.906 -1.417 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.628 -1.033 -1.898 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.455 -1.149 -0.645 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.931 0.917 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.035 1.698 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.277 0.220 1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.695 -0.396 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.135 1.302 0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.095 0.643 -2.339 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.653 -0.144 -3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.562 -0.936 -1.715 1.00 0.00 H new ATOM 874 N SER A 57 -2.832 -0.814 -4.003 1.00 0.00 N ATOM 875 CA SER A 57 -3.386 -0.688 -5.341 1.00 0.00 C ATOM 876 C SER A 57 -4.259 -1.903 -5.662 1.00 0.00 C ATOM 877 O SER A 57 -4.282 -2.873 -4.906 1.00 0.00 O ATOM 878 CB SER A 57 -2.277 -0.541 -6.384 1.00 0.00 C ATOM 879 OG SER A 57 -2.288 -1.607 -7.330 1.00 0.00 O ATOM 0 H SER A 57 -2.589 -1.766 -3.730 1.00 0.00 H new ATOM 0 HA SER A 57 -4.000 0.212 -5.374 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.394 0.408 -6.906 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.310 -0.511 -5.883 1.00 0.00 H new ATOM 0 HG SER A 57 -1.661 -2.304 -7.045 1.00 0.00 H new ATOM 885 N ASP A 58 -4.957 -1.810 -6.784 1.00 0.00 N ATOM 886 CA ASP A 58 -5.829 -2.889 -7.216 1.00 0.00 C ATOM 887 C ASP A 58 -5.101 -3.744 -8.256 1.00 0.00 C ATOM 888 O ASP A 58 -3.916 -3.539 -8.513 1.00 0.00 O ATOM 889 CB ASP A 58 -7.104 -2.342 -7.860 1.00 0.00 C ATOM 890 CG ASP A 58 -8.405 -2.746 -7.165 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.344 -2.980 -5.938 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.431 -2.812 -7.875 1.00 0.00 O ATOM 0 H ASP A 58 -4.936 -1.003 -7.408 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.093 -3.480 -6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.044 -1.254 -7.881 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.143 -2.679 -8.896 1.00 0.00 H new ATOM 897 N PHE A 59 -5.841 -4.682 -8.826 1.00 0.00 N ATOM 898 CA PHE A 59 -5.282 -5.568 -9.833 1.00 0.00 C ATOM 899 C PHE A 59 -5.932 -5.329 -11.197 1.00 0.00 C ATOM 900 O PHE A 59 -5.839 -6.170 -12.089 1.00 0.00 O ATOM 901 CB PHE A 59 -5.579 -7.000 -9.384 1.00 0.00 C ATOM 902 CG PHE A 59 -6.988 -7.196 -8.819 1.00 0.00 C ATOM 903 CD1 PHE A 59 -8.008 -6.408 -9.251 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.219 -8.159 -7.888 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.316 -6.589 -8.728 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.527 -8.340 -7.364 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.547 -7.552 -7.795 1.00 0.00 C ATOM 0 H PHE A 59 -6.824 -4.848 -8.610 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.212 -5.387 -9.934 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.442 -7.671 -10.232 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.851 -7.291 -8.626 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.824 -5.644 -9.992 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.409 -8.786 -7.547 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.127 -5.963 -9.071 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.711 -9.104 -6.623 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.541 -7.690 -7.397 1.00 0.00 H new ATOM 917 N ASN A 60 -6.578 -4.178 -11.315 1.00 0.00 N ATOM 918 CA ASN A 60 -7.244 -3.818 -12.556 1.00 0.00 C ATOM 919 C ASN A 60 -6.221 -3.806 -13.693 1.00 0.00 C ATOM 920 O ASN A 60 -6.129 -4.763 -14.460 1.00 0.00 O ATOM 921 CB ASN A 60 -7.864 -2.422 -12.462 1.00 0.00 C ATOM 922 CG ASN A 60 -7.748 -1.864 -11.042 1.00 0.00 C ATOM 923 OD1 ASN A 60 -6.514 -1.501 -10.703 1.00 0.00 O flip ATOM 924 ND2 ASN A 60 -8.714 -1.770 -10.303 1.00 0.00 N flip ATOM 0 H ASN A 60 -6.654 -3.483 -10.572 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.030 -4.550 -12.743 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.366 -1.751 -13.162 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.913 -2.466 -12.755 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.634 -2.067 -10.627 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.601 -1.394 -9.362 1.00 0.00 H new ATOM 931 N MET A 61 -5.480 -2.710 -13.769 1.00 0.00 N ATOM 932 CA MET A 61 -4.468 -2.561 -14.800 1.00 0.00 C ATOM 933 C MET A 61 -3.441 -1.495 -14.411 1.00 0.00 C ATOM 934 O MET A 61 -3.125 -0.613 -15.207 1.00 0.00 O ATOM 935 CB MET A 61 -5.137 -2.168 -16.118 1.00 0.00 C ATOM 936 CG MET A 61 -5.951 -0.882 -15.958 1.00 0.00 C ATOM 937 SD MET A 61 -7.580 -1.099 -16.656 1.00 0.00 S ATOM 938 CE MET A 61 -7.629 0.295 -17.769 1.00 0.00 C ATOM 0 H MET A 61 -5.561 -1.917 -13.133 1.00 0.00 H new ATOM 0 HA MET A 61 -3.950 -3.513 -14.914 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.378 -2.029 -16.888 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.788 -2.975 -16.454 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.030 -0.621 -14.903 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.441 -0.055 -16.453 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.586 0.311 -18.291 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.510 1.218 -17.202 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.821 0.209 -18.496 1.00 0.00 H new ATOM 948 N PRO A 62 -2.936 -1.616 -13.154 1.00 0.00 N ATOM 949 CA PRO A 62 -1.952 -0.673 -12.649 1.00 0.00 C ATOM 950 C PRO A 62 -0.576 -0.936 -13.265 1.00 0.00 C ATOM 951 O PRO A 62 -0.154 -2.085 -13.384 1.00 0.00 O ATOM 952 CB PRO A 62 -1.971 -0.854 -11.140 1.00 0.00 C ATOM 953 CG PRO A 62 -2.621 -2.206 -10.891 1.00 0.00 C ATOM 954 CD PRO A 62 -3.288 -2.649 -12.184 1.00 0.00 C ATOM 0 HA PRO A 62 -2.182 0.359 -12.916 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -0.961 -0.825 -10.730 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.534 -0.055 -10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.875 -2.936 -10.577 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.355 -2.135 -10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.928 -3.628 -12.500 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.369 -2.729 -12.065 1.00 0.00 H new ATOM 962 N LYS A 63 0.086 0.148 -13.639 1.00 0.00 N ATOM 963 CA LYS A 63 1.406 0.050 -14.240 1.00 0.00 C ATOM 964 C LYS A 63 2.436 -0.246 -13.149 1.00 0.00 C ATOM 965 O LYS A 63 3.534 -0.720 -13.439 1.00 0.00 O ATOM 966 CB LYS A 63 1.718 1.305 -15.056 1.00 0.00 C ATOM 967 CG LYS A 63 0.776 1.427 -16.257 1.00 0.00 C ATOM 968 CD LYS A 63 0.726 0.120 -17.049 1.00 0.00 C ATOM 969 CE LYS A 63 0.402 0.384 -18.521 1.00 0.00 C ATOM 970 NZ LYS A 63 -0.263 -0.793 -19.124 1.00 0.00 N ATOM 0 H LYS A 63 -0.267 1.100 -13.538 1.00 0.00 H new ATOM 0 HA LYS A 63 1.442 -0.778 -14.947 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.623 2.187 -14.423 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.751 1.271 -15.402 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.225 1.687 -15.913 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.111 2.237 -16.905 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.684 -0.394 -16.970 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.027 -0.541 -16.620 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.244 1.258 -18.606 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.318 0.611 -19.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.476 -0.597 -20.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.366 -1.618 -19.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.147 -0.991 -18.614 1.00 0.00 H new ATOM 984 N MET A 64 2.047 0.046 -11.916 1.00 0.00 N ATOM 985 CA MET A 64 2.925 -0.184 -10.781 1.00 0.00 C ATOM 986 C MET A 64 2.156 -0.803 -9.612 1.00 0.00 C ATOM 987 O MET A 64 1.768 -0.102 -8.678 1.00 0.00 O ATOM 988 CB MET A 64 3.544 1.143 -10.338 1.00 0.00 C ATOM 989 CG MET A 64 5.015 0.961 -9.959 1.00 0.00 C ATOM 990 SD MET A 64 6.013 2.198 -10.770 1.00 0.00 S ATOM 991 CE MET A 64 7.504 1.259 -11.052 1.00 0.00 C ATOM 0 H MET A 64 1.136 0.439 -11.678 1.00 0.00 H new ATOM 0 HA MET A 64 3.709 -0.877 -11.085 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.459 1.874 -11.142 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.992 1.540 -9.486 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.133 1.039 -8.878 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.352 -0.035 -10.246 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.372 1.905 -10.917 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.553 0.432 -10.343 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.500 0.866 -12.069 1.00 0.00 H new ATOM 1001 N ASP A 65 1.959 -2.111 -9.701 1.00 0.00 N ATOM 1002 CA ASP A 65 1.244 -2.832 -8.661 1.00 0.00 C ATOM 1003 C ASP A 65 2.173 -3.048 -7.465 1.00 0.00 C ATOM 1004 O ASP A 65 3.343 -2.670 -7.507 1.00 0.00 O ATOM 1005 CB ASP A 65 0.787 -4.205 -9.160 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.249 -4.902 -8.274 1.00 0.00 C ATOM 1007 OD1 ASP A 65 -0.782 -4.214 -7.377 1.00 0.00 O ATOM 1008 OD2 ASP A 65 -0.484 -6.105 -8.517 1.00 0.00 O ATOM 0 H ASP A 65 2.282 -2.689 -10.477 1.00 0.00 H new ATOM 0 HA ASP A 65 0.372 -2.242 -8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.370 -4.091 -10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.660 -4.851 -9.250 1.00 0.00 H new ATOM 1013 N GLY A 66 1.617 -3.655 -6.427 1.00 0.00 N ATOM 1014 CA GLY A 66 2.381 -3.926 -5.222 1.00 0.00 C ATOM 1015 C GLY A 66 3.849 -4.201 -5.553 1.00 0.00 C ATOM 1016 O GLY A 66 4.734 -3.457 -5.136 1.00 0.00 O ATOM 0 H GLY A 66 0.646 -3.967 -6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.311 -3.076 -4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.955 -4.784 -4.702 1.00 0.00 H new ATOM 1020 N LEU A 67 4.063 -5.274 -6.301 1.00 0.00 N ATOM 1021 CA LEU A 67 5.409 -5.657 -6.694 1.00 0.00 C ATOM 1022 C LEU A 67 6.062 -4.501 -7.455 1.00 0.00 C ATOM 1023 O LEU A 67 7.215 -4.159 -7.199 1.00 0.00 O ATOM 1024 CB LEU A 67 5.384 -6.972 -7.474 1.00 0.00 C ATOM 1025 CG LEU A 67 4.850 -8.192 -6.721 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.599 -9.460 -7.129 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.894 -7.962 -5.208 1.00 0.00 C ATOM 0 H LEU A 67 3.327 -5.890 -6.645 1.00 0.00 H new ATOM 0 HA LEU A 67 6.024 -5.847 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.778 -6.829 -8.368 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.398 -7.192 -7.808 1.00 0.00 H new ATOM 0 HG LEU A 67 3.805 -8.334 -6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.199 -10.312 -6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.474 -9.628 -8.199 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.659 -9.346 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.509 -8.843 -4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.923 -7.781 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.281 -7.097 -4.953 1.00 0.00 H new ATOM 1039 N GLY A 68 5.295 -3.932 -8.373 1.00 0.00 N ATOM 1040 CA GLY A 68 5.785 -2.822 -9.173 1.00 0.00 C ATOM 1041 C GLY A 68 6.409 -1.742 -8.288 1.00 0.00 C ATOM 1042 O GLY A 68 7.499 -1.250 -8.576 1.00 0.00 O ATOM 0 H GLY A 68 4.338 -4.218 -8.581 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.524 -3.183 -9.888 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.965 -2.395 -9.750 1.00 0.00 H new ATOM 1046 N LEU A 69 5.689 -1.403 -7.228 1.00 0.00 N ATOM 1047 CA LEU A 69 6.158 -0.389 -6.299 1.00 0.00 C ATOM 1048 C LEU A 69 7.438 -0.880 -5.618 1.00 0.00 C ATOM 1049 O LEU A 69 8.373 -0.107 -5.417 1.00 0.00 O ATOM 1050 CB LEU A 69 5.048 -0.008 -5.317 1.00 0.00 C ATOM 1051 CG LEU A 69 4.873 1.489 -5.053 1.00 0.00 C ATOM 1052 CD1 LEU A 69 6.175 2.249 -5.312 1.00 0.00 C ATOM 1053 CD2 LEU A 69 3.707 2.057 -5.865 1.00 0.00 C ATOM 0 H LEU A 69 4.785 -1.812 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 69 6.411 0.528 -6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.105 -0.403 -5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.244 -0.504 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 69 4.627 1.622 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.022 3.310 -5.117 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.956 1.868 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.476 2.111 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.605 3.122 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.898 1.910 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.786 1.544 -5.588 1.00 0.00 H new ATOM 1065 N LEU A 70 7.438 -2.161 -5.283 1.00 0.00 N ATOM 1066 CA LEU A 70 8.587 -2.765 -4.630 1.00 0.00 C ATOM 1067 C LEU A 70 9.826 -2.573 -5.508 1.00 0.00 C ATOM 1068 O LEU A 70 10.890 -2.202 -5.014 1.00 0.00 O ATOM 1069 CB LEU A 70 8.300 -4.227 -4.283 1.00 0.00 C ATOM 1070 CG LEU A 70 9.462 -5.203 -4.477 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.542 -5.677 -5.931 1.00 0.00 C ATOM 1072 CD2 LEU A 70 10.780 -4.589 -4.002 1.00 0.00 C ATOM 0 H LEU A 70 6.660 -2.799 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 70 8.789 -2.270 -3.680 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.980 -4.277 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.461 -4.566 -4.891 1.00 0.00 H new ATOM 0 HG LEU A 70 9.276 -6.082 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.376 -6.370 -6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.614 -6.180 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.693 -4.819 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.589 -5.304 -4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 70 10.986 -3.683 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.705 -4.342 -2.943 1.00 0.00 H new ATOM 1084 N GLN A 71 9.646 -2.834 -6.794 1.00 0.00 N ATOM 1085 CA GLN A 71 10.737 -2.696 -7.745 1.00 0.00 C ATOM 1086 C GLN A 71 11.221 -1.244 -7.789 1.00 0.00 C ATOM 1087 O GLN A 71 12.414 -0.990 -7.945 1.00 0.00 O ATOM 1088 CB GLN A 71 10.316 -3.175 -9.135 1.00 0.00 C ATOM 1089 CG GLN A 71 10.463 -4.692 -9.260 1.00 0.00 C ATOM 1090 CD GLN A 71 10.926 -5.085 -10.665 1.00 0.00 C ATOM 1091 OE1 GLN A 71 10.810 -4.331 -11.618 1.00 0.00 O ATOM 1092 NE2 GLN A 71 11.454 -6.303 -10.740 1.00 0.00 N ATOM 0 H GLN A 71 8.762 -3.140 -7.200 1.00 0.00 H new ATOM 0 HA GLN A 71 11.564 -3.325 -7.415 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.281 -2.890 -9.324 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.926 -2.683 -9.893 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.180 -5.053 -8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.510 -5.173 -9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.521 -6.882 -9.903 1.00 0.00 H new ATOM 0 HE22 GLN A 71 11.792 -6.658 -11.634 1.00 0.00 H new ATOM 1101 N ALA A 72 10.270 -0.332 -7.649 1.00 0.00 N ATOM 1102 CA ALA A 72 10.585 1.086 -7.671 1.00 0.00 C ATOM 1103 C ALA A 72 11.381 1.447 -6.415 1.00 0.00 C ATOM 1104 O ALA A 72 12.380 2.160 -6.491 1.00 0.00 O ATOM 1105 CB ALA A 72 9.292 1.894 -7.794 1.00 0.00 C ATOM 0 H ALA A 72 9.281 -0.548 -7.520 1.00 0.00 H new ATOM 0 HA ALA A 72 11.204 1.328 -8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.528 2.958 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.779 1.622 -8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.646 1.679 -6.943 1.00 0.00 H new ATOM 1111 N VAL A 73 10.907 0.938 -5.286 1.00 0.00 N ATOM 1112 CA VAL A 73 11.561 1.197 -4.015 1.00 0.00 C ATOM 1113 C VAL A 73 13.029 0.773 -4.106 1.00 0.00 C ATOM 1114 O VAL A 73 13.904 1.426 -3.540 1.00 0.00 O ATOM 1115 CB VAL A 73 10.806 0.495 -2.885 1.00 0.00 C ATOM 1116 CG1 VAL A 73 9.293 0.601 -3.089 1.00 0.00 C ATOM 1117 CG2 VAL A 73 11.241 -0.966 -2.758 1.00 0.00 C ATOM 0 H VAL A 73 10.077 0.347 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 73 11.543 2.263 -3.787 1.00 0.00 H new ATOM 0 HB VAL A 73 11.055 1.000 -1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.779 0.094 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.001 1.651 -3.105 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.020 0.134 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.689 -1.441 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.036 -1.489 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.309 -1.010 -2.544 1.00 0.00 H new ATOM 1127 N ARG A 74 13.252 -0.319 -4.823 1.00 0.00 N ATOM 1128 CA ARG A 74 14.600 -0.838 -4.995 1.00 0.00 C ATOM 1129 C ARG A 74 15.491 0.211 -5.662 1.00 0.00 C ATOM 1130 O ARG A 74 16.717 0.130 -5.584 1.00 0.00 O ATOM 1131 CB ARG A 74 14.595 -2.108 -5.847 1.00 0.00 C ATOM 1132 CG ARG A 74 14.626 -3.359 -4.966 1.00 0.00 C ATOM 1133 CD ARG A 74 15.015 -4.595 -5.781 1.00 0.00 C ATOM 1134 NE ARG A 74 13.801 -5.337 -6.185 1.00 0.00 N ATOM 1135 CZ ARG A 74 13.787 -6.313 -7.105 1.00 0.00 C ATOM 1136 NH1 ARG A 74 14.922 -6.667 -7.721 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.638 -6.932 -7.407 1.00 0.00 N ATOM 0 H ARG A 74 12.524 -0.858 -5.291 1.00 0.00 H new ATOM 0 HA ARG A 74 14.992 -1.078 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.706 -2.124 -6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.458 -2.107 -6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.337 -3.217 -4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.647 -3.512 -4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 74 15.579 -4.296 -6.664 1.00 0.00 H new ATOM 0 HD3 ARG A 74 15.666 -5.240 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 74 12.919 -5.091 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.796 -6.195 -7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.912 -7.409 -8.421 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.774 -6.661 -6.937 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.627 -7.674 -8.107 1.00 0.00 H new ATOM 1151 N ALA A 75 14.842 1.174 -6.301 1.00 0.00 N ATOM 1152 CA ALA A 75 15.562 2.238 -6.980 1.00 0.00 C ATOM 1153 C ALA A 75 15.515 3.505 -6.125 1.00 0.00 C ATOM 1154 O ALA A 75 16.372 4.378 -6.255 1.00 0.00 O ATOM 1155 CB ALA A 75 14.963 2.451 -8.372 1.00 0.00 C ATOM 0 H ALA A 75 13.826 1.239 -6.363 1.00 0.00 H new ATOM 0 HA ALA A 75 16.610 1.969 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.503 3.249 -8.882 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.047 1.530 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.912 2.726 -8.278 1.00 0.00 H new ATOM 1161 N ASN A 76 14.504 3.568 -5.271 1.00 0.00 N ATOM 1162 CA ASN A 76 14.335 4.715 -4.395 1.00 0.00 C ATOM 1163 C ASN A 76 14.091 4.227 -2.965 1.00 0.00 C ATOM 1164 O ASN A 76 13.065 3.610 -2.681 1.00 0.00 O ATOM 1165 CB ASN A 76 13.130 5.558 -4.817 1.00 0.00 C ATOM 1166 CG ASN A 76 13.547 7.001 -5.107 1.00 0.00 C ATOM 1167 OD1 ASN A 76 13.434 7.496 -6.217 1.00 0.00 O ATOM 1168 ND2 ASN A 76 14.032 7.647 -4.051 1.00 0.00 N ATOM 0 H ASN A 76 13.794 2.843 -5.167 1.00 0.00 H new ATOM 0 HA ASN A 76 15.239 5.321 -4.456 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.670 5.123 -5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 76 12.378 5.544 -4.028 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.337 8.616 -4.142 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.099 7.173 -3.150 1.00 0.00 H new ATOM 1175 N PRO A 77 15.077 4.529 -2.078 1.00 0.00 N ATOM 1176 CA PRO A 77 14.981 4.128 -0.685 1.00 0.00 C ATOM 1177 C PRO A 77 13.984 5.009 0.071 1.00 0.00 C ATOM 1178 O PRO A 77 13.709 4.774 1.246 1.00 0.00 O ATOM 1179 CB PRO A 77 16.398 4.235 -0.145 1.00 0.00 C ATOM 1180 CG PRO A 77 17.147 5.131 -1.118 1.00 0.00 C ATOM 1181 CD PRO A 77 16.308 5.257 -2.379 1.00 0.00 C ATOM 0 HA PRO A 77 14.600 3.114 -0.564 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.403 4.659 0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.866 3.253 -0.079 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.321 6.112 -0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 77 18.124 4.708 -1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 77 16.103 6.301 -2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.821 4.829 -3.241 1.00 0.00 H new ATOM 1189 N ALA A 78 13.472 6.007 -0.635 1.00 0.00 N ATOM 1190 CA ALA A 78 12.512 6.925 -0.044 1.00 0.00 C ATOM 1191 C ALA A 78 11.171 6.210 0.130 1.00 0.00 C ATOM 1192 O ALA A 78 10.417 6.516 1.054 1.00 0.00 O ATOM 1193 CB ALA A 78 12.397 8.175 -0.919 1.00 0.00 C ATOM 0 H ALA A 78 13.703 6.200 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 78 12.845 7.247 0.943 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.677 8.864 -0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.370 8.662 -0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.062 7.891 -1.917 1.00 0.00 H new ATOM 1199 N THR A 79 10.914 5.272 -0.770 1.00 0.00 N ATOM 1200 CA THR A 79 9.677 4.512 -0.726 1.00 0.00 C ATOM 1201 C THR A 79 9.942 3.090 -0.228 1.00 0.00 C ATOM 1202 O THR A 79 9.047 2.246 -0.244 1.00 0.00 O ATOM 1203 CB THR A 79 9.042 4.560 -2.117 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.758 3.972 -1.933 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.740 3.630 -3.111 1.00 0.00 C ATOM 0 H THR A 79 11.542 5.021 -1.534 1.00 0.00 H new ATOM 0 HA THR A 79 8.972 4.945 -0.016 1.00 0.00 H new ATOM 0 HB THR A 79 9.071 5.582 -2.495 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.848 3.146 -1.414 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.250 3.702 -4.082 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.786 3.921 -3.209 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.682 2.603 -2.751 1.00 0.00 H new ATOM 1213 N LYS A 80 11.176 2.867 0.201 1.00 0.00 N ATOM 1214 CA LYS A 80 11.570 1.562 0.702 1.00 0.00 C ATOM 1215 C LYS A 80 10.973 1.353 2.096 1.00 0.00 C ATOM 1216 O LYS A 80 10.913 0.227 2.587 1.00 0.00 O ATOM 1217 CB LYS A 80 13.092 1.407 0.657 1.00 0.00 C ATOM 1218 CG LYS A 80 13.759 2.225 1.765 1.00 0.00 C ATOM 1219 CD LYS A 80 14.268 1.316 2.885 1.00 0.00 C ATOM 1220 CE LYS A 80 13.212 1.154 3.981 1.00 0.00 C ATOM 1221 NZ LYS A 80 13.840 1.225 5.320 1.00 0.00 N ATOM 0 H LYS A 80 11.916 3.569 0.212 1.00 0.00 H new ATOM 0 HA LYS A 80 11.173 0.774 0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.358 0.355 0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.466 1.731 -0.314 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.589 2.797 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.047 2.944 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.526 0.339 2.476 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.180 1.734 3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.457 1.934 3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.700 0.199 3.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.110 1.113 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.544 0.465 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.308 2.147 5.436 1.00 0.00 H new ATOM 1235 N LYS A 81 10.545 2.456 2.692 1.00 0.00 N ATOM 1236 CA LYS A 81 9.954 2.408 4.019 1.00 0.00 C ATOM 1237 C LYS A 81 8.431 2.470 3.897 1.00 0.00 C ATOM 1238 O LYS A 81 7.730 2.602 4.898 1.00 0.00 O ATOM 1239 CB LYS A 81 10.546 3.505 4.909 1.00 0.00 C ATOM 1240 CG LYS A 81 9.995 4.879 4.523 1.00 0.00 C ATOM 1241 CD LYS A 81 9.590 5.675 5.765 1.00 0.00 C ATOM 1242 CE LYS A 81 8.313 6.477 5.509 1.00 0.00 C ATOM 1243 NZ LYS A 81 7.614 6.760 6.782 1.00 0.00 N ATOM 0 H LYS A 81 10.596 3.388 2.281 1.00 0.00 H new ATOM 0 HA LYS A 81 10.196 1.466 4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.314 3.296 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.632 3.506 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.748 5.432 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.133 4.758 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 81 9.435 4.995 6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.397 6.350 6.048 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.559 7.413 5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.655 5.920 4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 6.615 6.974 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.676 5.929 7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.059 7.576 7.248 1.00 0.00 H new ATOM 1257 N ALA A 82 7.964 2.371 2.661 1.00 0.00 N ATOM 1258 CA ALA A 82 6.537 2.414 2.395 1.00 0.00 C ATOM 1259 C ALA A 82 6.019 0.991 2.180 1.00 0.00 C ATOM 1260 O ALA A 82 6.545 0.254 1.348 1.00 0.00 O ATOM 1261 CB ALA A 82 6.268 3.320 1.191 1.00 0.00 C ATOM 0 H ALA A 82 8.549 2.261 1.833 1.00 0.00 H new ATOM 0 HA ALA A 82 6.001 2.835 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.197 3.352 0.992 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.627 4.326 1.406 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.788 2.928 0.317 1.00 0.00 H new ATOM 1267 N ALA A 83 4.994 0.646 2.946 1.00 0.00 N ATOM 1268 CA ALA A 83 4.399 -0.676 2.850 1.00 0.00 C ATOM 1269 C ALA A 83 3.283 -0.654 1.805 1.00 0.00 C ATOM 1270 O ALA A 83 2.327 0.110 1.929 1.00 0.00 O ATOM 1271 CB ALA A 83 3.899 -1.113 4.228 1.00 0.00 C ATOM 0 H ALA A 83 4.561 1.260 3.636 1.00 0.00 H new ATOM 0 HA ALA A 83 5.140 -1.407 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.453 -2.105 4.155 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.735 -1.142 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.152 -0.404 4.586 1.00 0.00 H new ATOM 1277 N PHE A 84 3.439 -1.501 0.798 1.00 0.00 N ATOM 1278 CA PHE A 84 2.456 -1.588 -0.267 1.00 0.00 C ATOM 1279 C PHE A 84 1.501 -2.762 -0.039 1.00 0.00 C ATOM 1280 O PHE A 84 1.882 -3.768 0.556 1.00 0.00 O ATOM 1281 CB PHE A 84 3.226 -1.819 -1.570 1.00 0.00 C ATOM 1282 CG PHE A 84 4.746 -1.840 -1.398 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.431 -0.673 -1.258 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.413 -3.025 -1.384 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.842 -0.692 -1.099 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.824 -3.045 -1.224 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.508 -1.878 -1.085 1.00 0.00 C ATOM 0 H PHE A 84 4.233 -2.134 0.698 1.00 0.00 H new ATOM 0 HA PHE A 84 1.864 -0.674 -0.300 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.907 -2.766 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.962 -1.036 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.902 0.268 -1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.869 -3.952 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.386 0.235 -0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.353 -3.986 -1.213 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.581 -1.893 -0.963 1.00 0.00 H new ATOM 1297 N ILE A 85 0.280 -2.593 -0.524 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.732 -3.626 -0.380 1.00 0.00 C ATOM 1299 C ILE A 85 -1.234 -4.039 -1.765 1.00 0.00 C ATOM 1300 O ILE A 85 -1.482 -3.187 -2.617 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.842 -3.160 0.564 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.669 -3.766 1.958 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.223 -3.460 -0.023 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.392 -2.680 2.998 1.00 0.00 C ATOM 0 H ILE A 85 -0.032 -1.756 -1.017 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.305 -4.516 0.082 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.765 -2.078 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.569 -4.317 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.847 -4.482 1.947 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.994 -3.119 0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.334 -2.942 -0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.326 -4.534 -0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.273 -3.138 3.980 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.479 -2.147 2.733 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.226 -1.979 3.023 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.369 -5.344 -1.946 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.838 -5.879 -3.212 1.00 0.00 C ATOM 1318 C ILE A 86 -2.916 -6.933 -2.948 1.00 0.00 C ATOM 1319 O ILE A 86 -2.630 -7.993 -2.394 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.661 -6.398 -4.042 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -1.152 -7.230 -5.229 1.00 0.00 C ATOM 1322 CG2 ILE A 86 0.327 -7.172 -3.169 1.00 0.00 C ATOM 1323 CD1 ILE A 86 0.023 -7.749 -6.058 1.00 0.00 C ATOM 0 H ILE A 86 -1.162 -6.047 -1.237 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.300 -5.093 -3.810 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.126 -5.540 -4.449 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.746 -8.070 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.805 -6.624 -5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.153 -7.529 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.713 -6.517 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.180 -8.022 -2.712 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.354 -8.337 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.601 -6.906 -6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.661 -8.374 -5.433 1.00 0.00 H new ATOM 1335 N LEU A 87 -4.132 -6.604 -3.357 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.254 -7.509 -3.172 1.00 0.00 C ATOM 1337 C LEU A 87 -5.456 -8.331 -4.446 1.00 0.00 C ATOM 1338 O LEU A 87 -5.530 -7.777 -5.541 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.499 -6.735 -2.735 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.623 -6.636 -3.769 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -7.154 -5.891 -5.019 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.186 -8.019 -4.102 1.00 0.00 C ATOM 0 H LEU A 87 -4.365 -5.723 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.047 -8.214 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.899 -7.206 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.196 -5.725 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.436 -6.055 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.972 -5.835 -5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.841 -4.883 -4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.314 -6.423 -5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.983 -7.920 -4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.393 -8.647 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.584 -8.477 -3.197 1.00 0.00 H new ATOM 1354 N THR A 88 -5.539 -9.641 -4.260 1.00 0.00 N ATOM 1355 CA THR A 88 -5.731 -10.545 -5.381 1.00 0.00 C ATOM 1356 C THR A 88 -6.477 -11.803 -4.929 1.00 0.00 C ATOM 1357 O THR A 88 -6.532 -12.102 -3.738 1.00 0.00 O ATOM 1358 CB THR A 88 -4.359 -10.839 -5.992 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.588 -11.966 -6.833 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.353 -11.345 -4.957 1.00 0.00 C ATOM 0 H THR A 88 -5.477 -10.097 -3.350 1.00 0.00 H new ATOM 0 HA THR A 88 -6.356 -10.093 -6.151 1.00 0.00 H new ATOM 0 HB THR A 88 -3.971 -9.936 -6.464 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.216 -11.791 -7.723 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.397 -11.538 -5.443 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.220 -10.592 -4.181 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.725 -12.266 -4.509 1.00 0.00 H new ATOM 1368 N ALA A 89 -7.031 -12.505 -5.907 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.772 -13.724 -5.625 1.00 0.00 C ATOM 1370 C ALA A 89 -6.787 -14.869 -5.386 1.00 0.00 C ATOM 1371 O ALA A 89 -7.033 -16.000 -5.803 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.736 -14.013 -6.777 1.00 0.00 C ATOM 0 H ALA A 89 -6.982 -12.254 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.370 -13.610 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.292 -14.927 -6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.433 -13.182 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.172 -14.137 -7.701 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.693 -14.538 -4.717 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.670 -15.526 -4.418 1.00 0.00 C ATOM 1380 C GLN A 90 -4.402 -15.573 -2.912 1.00 0.00 C ATOM 1381 O GLN A 90 -4.563 -16.616 -2.281 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.385 -15.237 -5.195 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.525 -15.655 -6.661 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.640 -14.431 -7.572 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -4.704 -14.086 -8.059 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -2.489 -13.797 -7.774 1.00 0.00 N ATOM 0 H GLN A 90 -5.492 -13.599 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.034 -16.504 -4.733 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.152 -14.174 -5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.552 -15.771 -4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.663 -16.253 -6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.406 -16.286 -6.780 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.634 -14.140 -7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.461 -12.968 -8.368 1.00 0.00 H new ATOM 1395 N GLY A 91 -3.995 -14.429 -2.380 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.703 -14.326 -0.960 1.00 0.00 C ATOM 1397 C GLY A 91 -2.809 -15.480 -0.501 1.00 0.00 C ATOM 1398 O GLY A 91 -3.264 -16.379 0.204 1.00 0.00 O ATOM 0 H GLY A 91 -3.861 -13.566 -2.907 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.211 -13.375 -0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.633 -14.333 -0.392 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.553 -15.415 -0.918 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.591 -16.443 -0.558 1.00 0.00 C ATOM 1404 C ASP A 92 0.593 -15.797 0.163 1.00 0.00 C ATOM 1405 O ASP A 92 1.370 -15.064 -0.446 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.056 -17.157 -1.801 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.458 -18.627 -1.926 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.538 -18.874 -2.504 1.00 0.00 O ATOM 1409 OD2 ASP A 92 0.325 -19.473 -1.441 1.00 0.00 O ATOM 0 H ASP A 92 -1.179 -14.667 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.095 -17.166 0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.405 -16.624 -2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.032 -17.093 -1.798 1.00 0.00 H new ATOM 1414 N ARG A 93 0.693 -16.092 1.451 1.00 0.00 N ATOM 1415 CA ARG A 93 1.770 -15.549 2.261 1.00 0.00 C ATOM 1416 C ARG A 93 3.126 -15.891 1.640 1.00 0.00 C ATOM 1417 O ARG A 93 4.112 -15.193 1.873 1.00 0.00 O ATOM 1418 CB ARG A 93 1.716 -16.100 3.688 1.00 0.00 C ATOM 1419 CG ARG A 93 2.818 -15.486 4.554 1.00 0.00 C ATOM 1420 CD ARG A 93 2.469 -14.048 4.946 1.00 0.00 C ATOM 1421 NE ARG A 93 1.686 -14.042 6.203 1.00 0.00 N ATOM 1422 CZ ARG A 93 0.863 -13.051 6.570 1.00 0.00 C ATOM 1423 NH1 ARG A 93 0.710 -11.980 5.779 1.00 0.00 N ATOM 1424 NH2 ARG A 93 0.193 -13.131 7.728 1.00 0.00 N ATOM 0 H ARG A 93 0.046 -16.700 1.953 1.00 0.00 H new ATOM 0 HA ARG A 93 1.646 -14.467 2.296 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.742 -15.887 4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.826 -17.184 3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 93 2.958 -16.088 5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 93 3.763 -15.500 4.011 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.381 -13.465 5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 93 1.897 -13.574 4.149 1.00 0.00 H new ATOM 0 HE ARG A 93 1.779 -14.842 6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.220 -11.920 4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.083 -11.225 6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.310 -13.946 8.330 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.434 -12.376 8.008 1.00 0.00 H new ATOM 1438 N ALA A 94 3.132 -16.963 0.863 1.00 0.00 N ATOM 1439 CA ALA A 94 4.351 -17.406 0.208 1.00 0.00 C ATOM 1440 C ALA A 94 4.838 -16.313 -0.746 1.00 0.00 C ATOM 1441 O ALA A 94 6.011 -15.947 -0.729 1.00 0.00 O ATOM 1442 CB ALA A 94 4.092 -18.732 -0.509 1.00 0.00 C ATOM 0 H ALA A 94 2.312 -17.539 0.672 1.00 0.00 H new ATOM 0 HA ALA A 94 5.139 -17.580 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.006 -19.065 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.776 -19.482 0.216 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.308 -18.596 -1.254 1.00 0.00 H new ATOM 1448 N LEU A 95 3.910 -15.821 -1.554 1.00 0.00 N ATOM 1449 CA LEU A 95 4.229 -14.777 -2.513 1.00 0.00 C ATOM 1450 C LEU A 95 4.570 -13.489 -1.762 1.00 0.00 C ATOM 1451 O LEU A 95 5.429 -12.722 -2.195 1.00 0.00 O ATOM 1452 CB LEU A 95 3.096 -14.617 -3.527 1.00 0.00 C ATOM 1453 CG LEU A 95 3.169 -15.515 -4.764 1.00 0.00 C ATOM 1454 CD1 LEU A 95 1.980 -16.478 -4.814 1.00 0.00 C ATOM 1455 CD2 LEU A 95 3.285 -14.682 -6.041 1.00 0.00 C ATOM 0 H LEU A 95 2.937 -16.126 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 95 5.109 -15.049 -3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.151 -14.809 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.075 -13.579 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 95 4.072 -16.121 -4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.056 -17.105 -5.703 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.984 -17.108 -3.924 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.052 -15.908 -4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.335 -15.345 -6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.414 -14.033 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.188 -14.074 -5.998 1.00 0.00 H new ATOM 1467 N VAL A 96 3.878 -13.289 -0.650 1.00 0.00 N ATOM 1468 CA VAL A 96 4.097 -12.106 0.165 1.00 0.00 C ATOM 1469 C VAL A 96 5.542 -12.098 0.668 1.00 0.00 C ATOM 1470 O VAL A 96 6.229 -11.082 0.577 1.00 0.00 O ATOM 1471 CB VAL A 96 3.069 -12.053 1.298 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.265 -10.804 2.157 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.643 -12.123 0.748 1.00 0.00 C ATOM 0 H VAL A 96 3.165 -13.926 -0.294 1.00 0.00 H new ATOM 0 HA VAL A 96 3.954 -11.203 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 96 3.225 -12.924 1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.522 -10.791 2.954 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.264 -10.815 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.149 -9.915 1.538 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.932 -12.084 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.469 -11.280 0.079 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.510 -13.055 0.199 1.00 0.00 H new ATOM 1483 N GLN A 97 5.960 -13.243 1.188 1.00 0.00 N ATOM 1484 CA GLN A 97 7.311 -13.381 1.705 1.00 0.00 C ATOM 1485 C GLN A 97 8.319 -13.409 0.555 1.00 0.00 C ATOM 1486 O GLN A 97 9.456 -12.963 0.710 1.00 0.00 O ATOM 1487 CB GLN A 97 7.438 -14.631 2.576 1.00 0.00 C ATOM 1488 CG GLN A 97 7.511 -14.261 4.060 1.00 0.00 C ATOM 1489 CD GLN A 97 8.459 -15.197 4.813 1.00 0.00 C ATOM 1490 OE1 GLN A 97 8.059 -15.973 5.665 1.00 0.00 O ATOM 1491 NE2 GLN A 97 9.734 -15.081 4.451 1.00 0.00 N ATOM 0 H GLN A 97 5.387 -14.083 1.262 1.00 0.00 H new ATOM 0 HA GLN A 97 7.530 -12.517 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.585 -15.287 2.403 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.331 -15.187 2.292 1.00 0.00 H new ATOM 0 HG2 GLN A 97 7.852 -13.231 4.165 1.00 0.00 H new ATOM 0 HG3 GLN A 97 6.516 -14.314 4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 97 10.000 -14.410 3.730 1.00 0.00 H new ATOM 0 HE22 GLN A 97 10.445 -15.663 4.894 1.00 0.00 H new ATOM 1500 N LYS A 98 7.868 -13.937 -0.574 1.00 0.00 N ATOM 1501 CA LYS A 98 8.717 -14.029 -1.749 1.00 0.00 C ATOM 1502 C LYS A 98 9.095 -12.620 -2.211 1.00 0.00 C ATOM 1503 O LYS A 98 10.275 -12.305 -2.350 1.00 0.00 O ATOM 1504 CB LYS A 98 8.042 -14.872 -2.833 1.00 0.00 C ATOM 1505 CG LYS A 98 9.079 -15.498 -3.767 1.00 0.00 C ATOM 1506 CD LYS A 98 8.453 -15.869 -5.112 1.00 0.00 C ATOM 1507 CE LYS A 98 8.053 -17.345 -5.142 1.00 0.00 C ATOM 1508 NZ LYS A 98 9.246 -18.203 -5.316 1.00 0.00 N ATOM 0 H LYS A 98 6.925 -14.305 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 98 9.646 -14.546 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.445 -15.657 -2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.358 -14.249 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.900 -14.799 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.503 -16.388 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.576 -15.247 -5.293 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.161 -15.664 -5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.541 -17.608 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.350 -17.521 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.946 -19.170 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.837 -17.825 -6.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.795 -18.218 -4.433 1.00 0.00 H new ATOM 1522 N ALA A 99 8.070 -11.811 -2.438 1.00 0.00 N ATOM 1523 CA ALA A 99 8.280 -10.444 -2.881 1.00 0.00 C ATOM 1524 C ALA A 99 8.822 -9.612 -1.717 1.00 0.00 C ATOM 1525 O ALA A 99 9.813 -8.898 -1.867 1.00 0.00 O ATOM 1526 CB ALA A 99 6.971 -9.882 -3.440 1.00 0.00 C ATOM 0 H ALA A 99 7.092 -12.077 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 99 9.018 -10.409 -3.682 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.128 -8.856 -3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.644 -10.491 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.207 -9.898 -2.663 1.00 0.00 H new ATOM 1532 N ALA A 100 8.148 -9.731 -0.581 1.00 0.00 N ATOM 1533 CA ALA A 100 8.550 -9.000 0.607 1.00 0.00 C ATOM 1534 C ALA A 100 10.028 -9.273 0.894 1.00 0.00 C ATOM 1535 O ALA A 100 10.719 -8.432 1.466 1.00 0.00 O ATOM 1536 CB ALA A 100 7.646 -9.391 1.778 1.00 0.00 C ATOM 0 H ALA A 100 7.326 -10.323 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 100 8.438 -7.927 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.948 -8.842 2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.611 -9.148 1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.734 -10.461 1.964 1.00 0.00 H new ATOM 1542 N ALA A 101 10.468 -10.453 0.486 1.00 0.00 N ATOM 1543 CA ALA A 101 11.851 -10.848 0.691 1.00 0.00 C ATOM 1544 C ALA A 101 12.677 -10.459 -0.536 1.00 0.00 C ATOM 1545 O ALA A 101 13.890 -10.278 -0.440 1.00 0.00 O ATOM 1546 CB ALA A 101 11.914 -12.349 0.985 1.00 0.00 C ATOM 0 H ALA A 101 9.891 -11.149 0.014 1.00 0.00 H new ATOM 0 HA ALA A 101 12.275 -10.328 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.951 -12.646 1.139 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.336 -12.568 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.499 -12.902 0.143 1.00 0.00 H new ATOM 1552 N LEU A 102 11.987 -10.340 -1.660 1.00 0.00 N ATOM 1553 CA LEU A 102 12.642 -9.974 -2.905 1.00 0.00 C ATOM 1554 C LEU A 102 13.168 -8.541 -2.798 1.00 0.00 C ATOM 1555 O LEU A 102 14.065 -8.149 -3.542 1.00 0.00 O ATOM 1556 CB LEU A 102 11.701 -10.197 -4.091 1.00 0.00 C ATOM 1557 CG LEU A 102 12.360 -10.661 -5.392 1.00 0.00 C ATOM 1558 CD1 LEU A 102 11.310 -11.124 -6.403 1.00 0.00 C ATOM 1559 CD2 LEU A 102 13.265 -9.568 -5.966 1.00 0.00 C ATOM 0 H LEU A 102 10.981 -10.490 -1.735 1.00 0.00 H new ATOM 0 HA LEU A 102 13.503 -10.617 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.953 -10.936 -3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.170 -9.266 -4.288 1.00 0.00 H new ATOM 0 HG LEU A 102 12.992 -11.520 -5.168 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.805 -11.448 -7.319 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.742 -11.954 -5.983 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.634 -10.299 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.722 -9.922 -6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.673 -8.676 -6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.046 -9.326 -5.245 1.00 0.00 H new ATOM 1571 N GLY A 103 12.587 -7.800 -1.867 1.00 0.00 N ATOM 1572 CA GLY A 103 12.986 -6.419 -1.653 1.00 0.00 C ATOM 1573 C GLY A 103 11.824 -5.592 -1.098 1.00 0.00 C ATOM 1574 O GLY A 103 12.039 -4.579 -0.435 1.00 0.00 O ATOM 0 H GLY A 103 11.843 -8.129 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.826 -6.383 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.329 -5.986 -2.593 1.00 0.00 H new ATOM 1578 N ALA A 104 10.618 -6.056 -1.390 1.00 0.00 N ATOM 1579 CA ALA A 104 9.421 -5.371 -0.929 1.00 0.00 C ATOM 1580 C ALA A 104 9.555 -5.070 0.564 1.00 0.00 C ATOM 1581 O ALA A 104 10.073 -5.888 1.323 1.00 0.00 O ATOM 1582 CB ALA A 104 8.191 -6.226 -1.243 1.00 0.00 C ATOM 0 H ALA A 104 10.443 -6.897 -1.940 1.00 0.00 H new ATOM 0 HA ALA A 104 9.299 -4.420 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.293 -5.713 -0.898 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.125 -6.388 -2.319 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.277 -7.187 -0.736 1.00 0.00 H new ATOM 1588 N ASN A 105 9.081 -3.892 0.943 1.00 0.00 N ATOM 1589 CA ASN A 105 9.141 -3.472 2.332 1.00 0.00 C ATOM 1590 C ASN A 105 8.004 -4.136 3.111 1.00 0.00 C ATOM 1591 O ASN A 105 8.178 -4.516 4.268 1.00 0.00 O ATOM 1592 CB ASN A 105 8.977 -1.956 2.457 1.00 0.00 C ATOM 1593 CG ASN A 105 9.408 -1.471 3.843 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.570 -1.513 4.211 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.409 -1.007 4.588 1.00 0.00 N ATOM 0 H ASN A 105 8.653 -3.215 0.311 1.00 0.00 H new ATOM 0 HA ASN A 105 10.113 -3.764 2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.572 -1.458 1.692 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.937 -1.683 2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.594 -0.658 5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.458 -1.000 4.219 1.00 0.00 H new ATOM 1602 N ASN A 106 6.865 -4.257 2.445 1.00 0.00 N ATOM 1603 CA ASN A 106 5.700 -4.869 3.061 1.00 0.00 C ATOM 1604 C ASN A 106 4.611 -5.061 2.002 1.00 0.00 C ATOM 1605 O ASN A 106 4.228 -4.110 1.323 1.00 0.00 O ATOM 1606 CB ASN A 106 5.130 -3.979 4.168 1.00 0.00 C ATOM 1607 CG ASN A 106 5.011 -4.751 5.484 1.00 0.00 C ATOM 1608 OD1 ASN A 106 4.898 -5.965 5.514 1.00 0.00 O ATOM 1609 ND2 ASN A 106 5.044 -3.980 6.567 1.00 0.00 N ATOM 0 H ASN A 106 6.724 -3.942 1.485 1.00 0.00 H new ATOM 0 HA ASN A 106 6.007 -5.824 3.488 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.773 -3.110 4.309 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.150 -3.606 3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.973 -4.399 7.494 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.141 -2.969 6.471 1.00 0.00 H new ATOM 1616 N VAL A 107 4.144 -6.295 1.897 1.00 0.00 N ATOM 1617 CA VAL A 107 3.108 -6.625 0.933 1.00 0.00 C ATOM 1618 C VAL A 107 1.932 -7.281 1.659 1.00 0.00 C ATOM 1619 O VAL A 107 2.056 -8.392 2.171 1.00 0.00 O ATOM 1620 CB VAL A 107 3.687 -7.500 -0.180 1.00 0.00 C ATOM 1621 CG1 VAL A 107 2.987 -7.228 -1.512 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.199 -7.300 -0.305 1.00 0.00 C ATOM 0 H VAL A 107 4.464 -7.080 2.464 1.00 0.00 H new ATOM 0 HA VAL A 107 2.731 -5.721 0.454 1.00 0.00 H new ATOM 0 HB VAL A 107 3.508 -8.542 0.086 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.418 -7.863 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.923 -7.445 -1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.120 -6.181 -1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 107 5.585 -7.934 -1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.410 -6.256 -0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.680 -7.568 0.636 1.00 0.00 H new ATOM 1632 N LEU A 108 0.817 -6.565 1.681 1.00 0.00 N ATOM 1633 CA LEU A 108 -0.379 -7.064 2.335 1.00 0.00 C ATOM 1634 C LEU A 108 -1.565 -6.952 1.375 1.00 0.00 C ATOM 1635 O LEU A 108 -1.674 -5.982 0.626 1.00 0.00 O ATOM 1636 CB LEU A 108 -0.599 -6.347 3.669 1.00 0.00 C ATOM 1637 CG LEU A 108 0.640 -5.707 4.299 1.00 0.00 C ATOM 1638 CD1 LEU A 108 0.247 -4.623 5.304 1.00 0.00 C ATOM 1639 CD2 LEU A 108 1.546 -6.769 4.926 1.00 0.00 C ATOM 0 H LEU A 108 0.718 -5.643 1.256 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.266 -8.120 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.350 -5.570 3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.015 -7.062 4.379 1.00 0.00 H new ATOM 0 HG LEU A 108 1.212 -5.220 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.146 -4.185 5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.327 -3.847 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.359 -5.063 6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.419 -6.288 5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.997 -7.304 5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.868 -7.472 4.158 1.00 0.00 H new ATOM 1651 N ALA A 109 -2.425 -7.959 1.427 1.00 0.00 N ATOM 1652 CA ALA A 109 -3.599 -7.986 0.571 1.00 0.00 C ATOM 1653 C ALA A 109 -4.796 -7.420 1.337 1.00 0.00 C ATOM 1654 O ALA A 109 -4.858 -7.519 2.561 1.00 0.00 O ATOM 1655 CB ALA A 109 -3.842 -9.416 0.083 1.00 0.00 C ATOM 0 H ALA A 109 -2.332 -8.762 2.049 1.00 0.00 H new ATOM 0 HA ALA A 109 -3.447 -7.362 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.723 -9.437 -0.559 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -2.974 -9.761 -0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -4.002 -10.071 0.940 1.00 0.00 H new ATOM 1661 N LYS A 110 -5.718 -6.838 0.583 1.00 0.00 N ATOM 1662 CA LYS A 110 -6.910 -6.256 1.176 1.00 0.00 C ATOM 1663 C LYS A 110 -7.843 -7.377 1.640 1.00 0.00 C ATOM 1664 O LYS A 110 -8.466 -8.051 0.821 1.00 0.00 O ATOM 1665 CB LYS A 110 -7.567 -5.273 0.204 1.00 0.00 C ATOM 1666 CG LYS A 110 -9.088 -5.278 0.364 1.00 0.00 C ATOM 1667 CD LYS A 110 -9.731 -4.173 -0.478 1.00 0.00 C ATOM 1668 CE LYS A 110 -10.111 -4.693 -1.865 1.00 0.00 C ATOM 1669 NZ LYS A 110 -9.416 -3.920 -2.918 1.00 0.00 N ATOM 0 H LYS A 110 -5.663 -6.757 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 110 -6.650 -5.671 2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -7.182 -4.269 0.381 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.305 -5.538 -0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -9.486 -6.247 0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -9.347 -5.138 1.413 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.619 -3.795 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.039 -3.336 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -9.850 -5.748 -1.948 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -11.190 -4.620 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.520 -4.406 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -9.832 -2.969 -2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -8.406 -3.841 -2.681 1.00 0.00 H new ATOM 1683 N PRO A 111 -7.911 -7.546 2.988 1.00 0.00 N ATOM 1684 CA PRO A 111 -8.758 -8.573 3.571 1.00 0.00 C ATOM 1685 C PRO A 111 -10.232 -8.167 3.512 1.00 0.00 C ATOM 1686 O PRO A 111 -10.551 -6.985 3.399 1.00 0.00 O ATOM 1687 CB PRO A 111 -8.246 -8.745 4.992 1.00 0.00 C ATOM 1688 CG PRO A 111 -7.444 -7.491 5.301 1.00 0.00 C ATOM 1689 CD PRO A 111 -7.189 -6.766 3.988 1.00 0.00 C ATOM 0 HA PRO A 111 -8.710 -9.516 3.027 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.072 -8.863 5.693 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -7.625 -9.637 5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -7.990 -6.849 5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -6.502 -7.750 5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -7.551 -5.739 4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -6.124 -6.720 3.761 1.00 0.00 H new ATOM 1697 N PHE A 112 -11.092 -9.172 3.591 1.00 0.00 N ATOM 1698 CA PHE A 112 -12.525 -8.936 3.548 1.00 0.00 C ATOM 1699 C PHE A 112 -13.085 -8.703 4.952 1.00 0.00 C ATOM 1700 O PHE A 112 -14.275 -8.433 5.114 1.00 0.00 O ATOM 1701 CB PHE A 112 -13.169 -10.192 2.958 1.00 0.00 C ATOM 1702 CG PHE A 112 -12.878 -10.400 1.470 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -13.532 -9.654 0.539 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -11.967 -11.330 1.078 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -13.262 -9.846 -0.842 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -11.698 -11.523 -0.303 1.00 0.00 C ATOM 1707 CZ PHE A 112 -12.351 -10.776 -1.233 1.00 0.00 C ATOM 0 H PHE A 112 -10.824 -10.152 3.685 1.00 0.00 H new ATOM 0 HA PHE A 112 -12.737 -8.050 2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -12.817 -11.063 3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -14.248 -10.137 3.103 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -14.256 -8.916 0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -11.448 -11.922 1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -13.780 -9.253 -1.581 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -10.975 -12.263 -0.614 1.00 0.00 H new ATOM 0 HZ PHE A 112 -12.146 -10.922 -2.283 1.00 0.00 H new ATOM 1717 N THR A 113 -12.201 -8.814 5.933 1.00 0.00 N ATOM 1718 CA THR A 113 -12.592 -8.619 7.319 1.00 0.00 C ATOM 1719 C THR A 113 -11.787 -7.478 7.945 1.00 0.00 C ATOM 1720 O THR A 113 -10.622 -7.277 7.605 1.00 0.00 O ATOM 1721 CB THR A 113 -12.425 -9.952 8.050 1.00 0.00 C ATOM 1722 OG1 THR A 113 -13.198 -10.869 7.281 1.00 0.00 O ATOM 1723 CG2 THR A 113 -13.100 -9.955 9.423 1.00 0.00 C ATOM 0 H THR A 113 -11.215 -9.037 5.795 1.00 0.00 H new ATOM 0 HA THR A 113 -13.637 -8.318 7.396 1.00 0.00 H new ATOM 0 HB THR A 113 -11.364 -10.171 8.167 1.00 0.00 H new ATOM 0 HG1 THR A 113 -13.144 -11.761 7.684 1.00 0.00 H new ATOM 0 HG21 THR A 113 -12.951 -10.924 9.899 1.00 0.00 H new ATOM 0 HG22 THR A 113 -12.663 -9.174 10.045 1.00 0.00 H new ATOM 0 HG23 THR A 113 -14.167 -9.769 9.304 1.00 0.00 H new ATOM 1731 N ILE A 114 -12.441 -6.760 8.846 1.00 0.00 N ATOM 1732 CA ILE A 114 -11.800 -5.644 9.522 1.00 0.00 C ATOM 1733 C ILE A 114 -10.704 -6.176 10.448 1.00 0.00 C ATOM 1734 O ILE A 114 -9.764 -5.455 10.779 1.00 0.00 O ATOM 1735 CB ILE A 114 -12.843 -4.780 10.235 1.00 0.00 C ATOM 1736 CG1 ILE A 114 -13.843 -5.648 11.002 1.00 0.00 C ATOM 1737 CG2 ILE A 114 -13.538 -3.837 9.252 1.00 0.00 C ATOM 1738 CD1 ILE A 114 -14.424 -4.890 12.197 1.00 0.00 C ATOM 0 H ILE A 114 -13.408 -6.929 9.124 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.316 -4.987 8.799 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.328 -4.159 10.968 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -14.649 -5.956 10.336 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -13.351 -6.557 11.348 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -14.274 -3.235 9.784 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -12.798 -3.182 8.791 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -14.038 -4.421 8.479 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -15.132 -5.530 12.725 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -13.618 -4.605 12.874 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -14.937 -3.995 11.846 1.00 0.00 H new ATOM 1750 N GLU A 115 -10.862 -7.432 10.839 1.00 0.00 N ATOM 1751 CA GLU A 115 -9.897 -8.068 11.720 1.00 0.00 C ATOM 1752 C GLU A 115 -8.554 -8.232 11.005 1.00 0.00 C ATOM 1753 O GLU A 115 -7.503 -7.958 11.583 1.00 0.00 O ATOM 1754 CB GLU A 115 -10.419 -9.415 12.223 1.00 0.00 C ATOM 1755 CG GLU A 115 -10.233 -9.544 13.736 1.00 0.00 C ATOM 1756 CD GLU A 115 -10.074 -11.009 14.146 1.00 0.00 C ATOM 1757 OE1 GLU A 115 -9.240 -11.689 13.510 1.00 0.00 O ATOM 1758 OE2 GLU A 115 -10.791 -11.417 15.086 1.00 0.00 O ATOM 0 H GLU A 115 -11.643 -8.026 10.562 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.748 -7.426 12.588 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.475 -9.516 11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -9.893 -10.225 11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.355 -8.978 14.048 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -11.091 -9.110 14.250 1.00 0.00 H new ATOM 1765 N LYS A 116 -8.633 -8.677 9.761 1.00 0.00 N ATOM 1766 CA LYS A 116 -7.436 -8.882 8.962 1.00 0.00 C ATOM 1767 C LYS A 116 -6.902 -7.526 8.497 1.00 0.00 C ATOM 1768 O LYS A 116 -5.691 -7.310 8.464 1.00 0.00 O ATOM 1769 CB LYS A 116 -7.716 -9.859 7.818 1.00 0.00 C ATOM 1770 CG LYS A 116 -7.509 -11.306 8.270 1.00 0.00 C ATOM 1771 CD LYS A 116 -8.753 -12.151 7.989 1.00 0.00 C ATOM 1772 CE LYS A 116 -9.542 -12.411 9.274 1.00 0.00 C ATOM 1773 NZ LYS A 116 -10.110 -13.778 9.267 1.00 0.00 N ATOM 0 H LYS A 116 -9.507 -8.902 9.286 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.652 -9.346 9.561 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.739 -9.727 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -7.058 -9.639 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -6.650 -11.733 7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -7.282 -11.329 9.336 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.388 -11.640 7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -8.459 -13.100 7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.891 -12.286 10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.343 -11.678 9.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -10.642 -13.937 10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.748 -13.885 8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.340 -14.474 9.198 1.00 0.00 H new ATOM 1787 N MET A 117 -7.831 -6.648 8.146 1.00 0.00 N ATOM 1788 CA MET A 117 -7.468 -5.319 7.684 1.00 0.00 C ATOM 1789 C MET A 117 -6.938 -4.463 8.835 1.00 0.00 C ATOM 1790 O MET A 117 -5.998 -3.691 8.658 1.00 0.00 O ATOM 1791 CB MET A 117 -8.693 -4.643 7.066 1.00 0.00 C ATOM 1792 CG MET A 117 -8.291 -3.752 5.888 1.00 0.00 C ATOM 1793 SD MET A 117 -9.415 -4.000 4.524 1.00 0.00 S ATOM 1794 CE MET A 117 -10.961 -4.099 5.409 1.00 0.00 C ATOM 0 H MET A 117 -8.834 -6.831 8.172 1.00 0.00 H new ATOM 0 HA MET A 117 -6.680 -5.417 6.938 1.00 0.00 H new ATOM 0 HB2 MET A 117 -9.400 -5.401 6.729 1.00 0.00 H new ATOM 0 HB3 MET A 117 -9.203 -4.045 7.821 1.00 0.00 H new ATOM 0 HG2 MET A 117 -8.301 -2.706 6.193 1.00 0.00 H new ATOM 0 HG3 MET A 117 -7.272 -3.984 5.577 1.00 0.00 H new ATOM 0 HE1 MET A 117 -11.767 -3.728 4.776 1.00 0.00 H new ATOM 0 HE2 MET A 117 -11.160 -5.136 5.679 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.902 -3.494 6.314 1.00 0.00 H new ATOM 1804 N LYS A 118 -7.566 -4.629 9.991 1.00 0.00 N ATOM 1805 CA LYS A 118 -7.169 -3.882 11.172 1.00 0.00 C ATOM 1806 C LYS A 118 -5.831 -4.419 11.686 1.00 0.00 C ATOM 1807 O LYS A 118 -5.024 -3.667 12.231 1.00 0.00 O ATOM 1808 CB LYS A 118 -8.283 -3.904 12.219 1.00 0.00 C ATOM 1809 CG LYS A 118 -7.860 -3.157 13.486 1.00 0.00 C ATOM 1810 CD LYS A 118 -9.081 -2.682 14.277 1.00 0.00 C ATOM 1811 CE LYS A 118 -9.402 -1.219 13.965 1.00 0.00 C ATOM 1812 NZ LYS A 118 -10.769 -0.880 14.416 1.00 0.00 N ATOM 0 H LYS A 118 -8.347 -5.270 10.134 1.00 0.00 H new ATOM 0 HA LYS A 118 -7.016 -2.832 10.924 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -9.183 -3.448 11.807 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -8.533 -4.935 12.467 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -7.249 -3.809 14.110 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -7.241 -2.301 13.218 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -9.941 -3.306 14.035 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -8.894 -2.797 15.345 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -8.679 -0.569 14.458 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -9.312 -1.042 12.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -10.970 0.116 14.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.457 -1.488 13.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -10.843 -1.030 15.442 1.00 0.00 H new ATOM 1826 N ALA A 119 -5.637 -5.715 11.491 1.00 0.00 N ATOM 1827 CA ALA A 119 -4.412 -6.362 11.929 1.00 0.00 C ATOM 1828 C ALA A 119 -3.283 -6.014 10.957 1.00 0.00 C ATOM 1829 O ALA A 119 -2.187 -5.645 11.377 1.00 0.00 O ATOM 1830 CB ALA A 119 -4.642 -7.870 12.039 1.00 0.00 C ATOM 0 H ALA A 119 -6.307 -6.334 11.036 1.00 0.00 H new ATOM 0 HA ALA A 119 -4.120 -6.004 12.916 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -3.723 -8.355 12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.434 -8.065 12.762 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -4.933 -8.266 11.066 1.00 0.00 H new ATOM 1836 N ALA A 120 -3.588 -6.145 9.673 1.00 0.00 N ATOM 1837 CA ALA A 120 -2.613 -5.848 8.638 1.00 0.00 C ATOM 1838 C ALA A 120 -2.117 -4.411 8.806 1.00 0.00 C ATOM 1839 O ALA A 120 -0.912 -4.163 8.819 1.00 0.00 O ATOM 1840 CB ALA A 120 -3.237 -6.094 7.263 1.00 0.00 C ATOM 0 H ALA A 120 -4.497 -6.453 9.327 1.00 0.00 H new ATOM 0 HA ALA A 120 -1.748 -6.506 8.726 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.505 -5.871 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.544 -7.137 7.184 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.107 -5.449 7.138 1.00 0.00 H new ATOM 1846 N ILE A 121 -3.072 -3.500 8.929 1.00 0.00 N ATOM 1847 CA ILE A 121 -2.748 -2.094 9.095 1.00 0.00 C ATOM 1848 C ILE A 121 -1.962 -1.906 10.393 1.00 0.00 C ATOM 1849 O ILE A 121 -0.951 -1.206 10.415 1.00 0.00 O ATOM 1850 CB ILE A 121 -4.015 -1.239 9.014 1.00 0.00 C ATOM 1851 CG1 ILE A 121 -5.065 -1.719 10.018 1.00 0.00 C ATOM 1852 CG2 ILE A 121 -4.562 -1.204 7.586 1.00 0.00 C ATOM 1853 CD1 ILE A 121 -5.064 -0.843 11.273 1.00 0.00 C ATOM 0 H ILE A 121 -4.070 -3.709 8.917 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.108 -1.752 8.282 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.755 -0.216 9.284 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -6.052 -1.697 9.556 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.864 -2.755 10.293 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.462 -0.590 7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -3.811 -0.780 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.803 -2.217 7.264 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.819 -1.206 11.970 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.083 -0.886 11.746 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.289 0.187 10.998 1.00 0.00 H new ATOM 1865 N GLU A 122 -2.455 -2.544 11.445 1.00 0.00 N ATOM 1866 CA GLU A 122 -1.811 -2.456 12.744 1.00 0.00 C ATOM 1867 C GLU A 122 -0.356 -2.920 12.648 1.00 0.00 C ATOM 1868 O GLU A 122 0.480 -2.525 13.459 1.00 0.00 O ATOM 1869 CB GLU A 122 -2.577 -3.266 13.792 1.00 0.00 C ATOM 1870 CG GLU A 122 -3.556 -2.379 14.562 1.00 0.00 C ATOM 1871 CD GLU A 122 -2.818 -1.478 15.554 1.00 0.00 C ATOM 1872 OE1 GLU A 122 -1.815 -1.962 16.121 1.00 0.00 O ATOM 1873 OE2 GLU A 122 -3.272 -0.325 15.722 1.00 0.00 O ATOM 0 H GLU A 122 -3.294 -3.124 11.424 1.00 0.00 H new ATOM 0 HA GLU A 122 -1.819 -1.413 13.062 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.120 -4.076 13.305 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -1.874 -3.726 14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -4.124 -1.766 13.862 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.274 -3.002 15.096 1.00 0.00 H new ATOM 1880 N ALA A 123 -0.099 -3.752 11.649 1.00 0.00 N ATOM 1881 CA ALA A 123 1.241 -4.274 11.437 1.00 0.00 C ATOM 1882 C ALA A 123 2.013 -3.326 10.517 1.00 0.00 C ATOM 1883 O ALA A 123 3.183 -3.036 10.760 1.00 0.00 O ATOM 1884 CB ALA A 123 1.151 -5.693 10.869 1.00 0.00 C ATOM 0 H ALA A 123 -0.795 -4.077 10.978 1.00 0.00 H new ATOM 0 HA ALA A 123 1.784 -4.333 12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 123 2.155 -6.085 10.710 1.00 0.00 H new ATOM 0 HB2 ALA A 123 0.619 -6.333 11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.615 -5.672 9.920 1.00 0.00 H new ATOM 1890 N VAL A 124 1.326 -2.870 9.479 1.00 0.00 N ATOM 1891 CA VAL A 124 1.933 -1.960 8.523 1.00 0.00 C ATOM 1892 C VAL A 124 2.351 -0.675 9.241 1.00 0.00 C ATOM 1893 O VAL A 124 3.383 -0.088 8.920 1.00 0.00 O ATOM 1894 CB VAL A 124 0.974 -1.710 7.358 1.00 0.00 C ATOM 1895 CG1 VAL A 124 0.124 -0.462 7.605 1.00 0.00 C ATOM 1896 CG2 VAL A 124 1.734 -1.601 6.034 1.00 0.00 C ATOM 0 H VAL A 124 0.356 -3.114 9.280 1.00 0.00 H new ATOM 0 HA VAL A 124 2.834 -2.400 8.096 1.00 0.00 H new ATOM 0 HB VAL A 124 0.302 -2.566 7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -0.549 -0.307 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -0.460 -0.594 8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 124 0.775 0.406 7.714 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.028 -1.423 5.223 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.441 -0.773 6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.275 -2.529 5.848 1.00 0.00 H new ATOM 1906 N PHE A 125 1.527 -0.276 10.198 1.00 0.00 N ATOM 1907 CA PHE A 125 1.797 0.929 10.964 1.00 0.00 C ATOM 1908 C PHE A 125 2.745 0.637 12.129 1.00 0.00 C ATOM 1909 O PHE A 125 3.768 1.302 12.283 1.00 0.00 O ATOM 1910 CB PHE A 125 0.457 1.414 11.522 1.00 0.00 C ATOM 1911 CG PHE A 125 -0.104 2.646 10.810 1.00 0.00 C ATOM 1912 CD1 PHE A 125 -0.539 2.549 9.525 1.00 0.00 C ATOM 1913 CD2 PHE A 125 -0.167 3.838 11.461 1.00 0.00 C ATOM 1914 CE1 PHE A 125 -1.060 3.692 8.864 1.00 0.00 C ATOM 1915 CE2 PHE A 125 -0.687 4.982 10.800 1.00 0.00 C ATOM 1916 CZ PHE A 125 -1.123 4.886 9.514 1.00 0.00 C ATOM 0 H PHE A 125 0.672 -0.766 10.461 1.00 0.00 H new ATOM 0 HA PHE A 125 2.267 1.678 10.326 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.269 0.604 11.451 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.577 1.642 12.581 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -0.488 1.602 9.008 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.179 3.915 12.481 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -1.407 3.614 7.844 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -0.737 5.929 11.318 1.00 0.00 H new ATOM 0 HZ PHE A 125 -1.518 5.756 9.010 1.00 0.00 H new ATOM 1926 N GLY A 126 2.372 -0.359 12.918 1.00 0.00 N ATOM 1927 CA GLY A 126 3.177 -0.748 14.064 1.00 0.00 C ATOM 1928 C GLY A 126 4.565 -1.218 13.625 1.00 0.00 C ATOM 1929 O GLY A 126 5.567 -0.572 13.926 1.00 0.00 O ATOM 0 H GLY A 126 1.523 -0.909 12.787 1.00 0.00 H new ATOM 0 HA2 GLY A 126 3.274 0.095 14.748 1.00 0.00 H new ATOM 0 HA3 GLY A 126 2.675 -1.546 14.611 1.00 0.00 H new ATOM 1933 N ALA A 127 4.579 -2.340 12.921 1.00 0.00 N ATOM 1934 CA ALA A 127 5.828 -2.905 12.438 1.00 0.00 C ATOM 1935 C ALA A 127 6.943 -2.598 13.439 1.00 0.00 C ATOM 1936 O ALA A 127 7.907 -1.909 13.109 1.00 0.00 O ATOM 1937 CB ALA A 127 6.130 -2.355 11.042 1.00 0.00 C ATOM 0 H ALA A 127 3.746 -2.873 12.673 1.00 0.00 H new ATOM 0 HA ALA A 127 5.751 -3.989 12.353 1.00 0.00 H new ATOM 0 HB1 ALA A 127 7.067 -2.778 10.679 1.00 0.00 H new ATOM 0 HB2 ALA A 127 5.322 -2.625 10.362 1.00 0.00 H new ATOM 0 HB3 ALA A 127 6.217 -1.269 11.090 1.00 0.00 H new ATOM 1943 N LEU A 128 6.774 -3.124 14.643 1.00 0.00 N ATOM 1944 CA LEU A 128 7.755 -2.914 15.695 1.00 0.00 C ATOM 1945 C LEU A 128 8.714 -4.106 15.737 1.00 0.00 C ATOM 1946 O LEU A 128 8.281 -5.254 15.821 1.00 0.00 O ATOM 1947 CB LEU A 128 7.058 -2.639 17.030 1.00 0.00 C ATOM 1948 CG LEU A 128 7.764 -1.656 17.965 1.00 0.00 C ATOM 1949 CD1 LEU A 128 9.068 -2.250 18.502 1.00 0.00 C ATOM 1950 CD2 LEU A 128 7.990 -0.309 17.274 1.00 0.00 C ATOM 0 H LEU A 128 5.973 -3.695 14.914 1.00 0.00 H new ATOM 0 HA LEU A 128 8.355 -2.028 15.486 1.00 0.00 H new ATOM 0 HB2 LEU A 128 6.058 -2.258 16.823 1.00 0.00 H new ATOM 0 HB3 LEU A 128 6.936 -3.586 17.556 1.00 0.00 H new ATOM 0 HG LEU A 128 7.116 -1.474 18.822 1.00 0.00 H new ATOM 0 HD11 LEU A 128 9.550 -1.531 19.164 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.851 -3.164 19.055 1.00 0.00 H new ATOM 0 HD13 LEU A 128 9.733 -2.479 17.670 1.00 0.00 H new ATOM 0 HD21 LEU A 128 8.494 0.372 17.960 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.608 -0.454 16.388 1.00 0.00 H new ATOM 0 HD23 LEU A 128 7.030 0.115 16.981 1.00 0.00 H new ATOM 1962 N LYS A 129 10.000 -3.791 15.676 1.00 0.00 N ATOM 1963 CA LYS A 129 11.025 -4.821 15.706 1.00 0.00 C ATOM 1964 C LYS A 129 10.555 -6.025 14.888 1.00 0.00 C ATOM 1965 O LYS A 129 11.331 -6.607 14.131 1.00 0.00 O ATOM 1966 CB LYS A 129 11.396 -5.166 17.149 1.00 0.00 C ATOM 1967 CG LYS A 129 12.871 -4.865 17.422 1.00 0.00 C ATOM 1968 CD LYS A 129 13.469 -5.884 18.395 1.00 0.00 C ATOM 1969 CE LYS A 129 13.475 -5.338 19.825 1.00 0.00 C ATOM 1970 NZ LYS A 129 13.073 -6.393 20.782 1.00 0.00 N ATOM 0 H LYS A 129 10.355 -2.837 15.606 1.00 0.00 H new ATOM 0 HA LYS A 129 11.943 -4.458 15.243 1.00 0.00 H new ATOM 0 HB2 LYS A 129 10.771 -4.595 17.836 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.195 -6.221 17.338 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.428 -4.881 16.485 1.00 0.00 H new ATOM 0 HG3 LYS A 129 12.970 -3.861 17.835 1.00 0.00 H new ATOM 0 HD2 LYS A 129 12.894 -6.809 18.357 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.487 -6.129 18.091 1.00 0.00 H new ATOM 0 HE2 LYS A 129 14.470 -4.970 20.076 1.00 0.00 H new ATOM 0 HE3 LYS A 129 12.793 -4.491 19.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 13.082 -6.007 21.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 12.115 -6.725 20.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 13.739 -7.189 20.721 1.00 0.00 H new TER 1984 LYS A 129