USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 842 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 46 ASN : amide:sc= -0.551 K(o=-0.55,f=-5.5!) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 155:sc= -0.0812 (180deg=-0.633) USER MOD Set 2.2: A 74 CYS SG : rot -22:sc= -1.45 USER MOD Single : A 1 SER N :NH3+ 175:sc= -0.0836 (180deg=-0.0973) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot 180:sc= -1.53 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -130:sc= -6.23! (180deg=-13.5!) USER MOD Single : A 11 SER OG : rot -72:sc= 1.26 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0264 USER MOD Single : A 15 LYS NZ :NH3+ 144:sc= 0.533 (180deg=-0.49) USER MOD Single : A 17 GLN : amide:sc= 0.612 K(o=0.61,f=-0.66) USER MOD Single : A 19 SER OG : rot 73:sc= 0.939 USER MOD Single : A 23 ASN : amide:sc= -3.55! C(o=-3.5!,f=-7.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0299 X(o=-0.03,f=0) USER MOD Single : A 38 GLN : amide:sc= -3.8! C(o=-3.8!,f=-4!) USER MOD Single : A 39 SER OG : rot -48:sc= 1.16 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.104 K(o=-0.1,f=-5!) USER MOD Single : A 58 THR OG1 : rot -29:sc= -0.63! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= -0.501 (180deg=-0.501) USER MOD Single : A 62 SER OG : rot 178:sc= -0.0892 USER MOD Single : A 63 THR OG1 : rot 160:sc= -0.174 USER MOD Single : A 70 TYR OH : rot -19:sc= 1.11 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.000234 USER MOD Single : A 73 SER OG : rot -59:sc= 1.27 USER MOD Single : A 77 LYS NZ :NH3+ -158:sc= -0.117 (180deg=-0.561) USER MOD Single : A 78 LYS NZ :NH3+ 172:sc=-0.00617 (180deg=-0.0943) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.575 X(o=-0.57,f=-0.63) USER MOD Single : B 201 LYS NZ :NH3+ 174:sc=-0.00226 (180deg=-0.0518) USER MOD Single : B 203 THR OG1 : rot 180:sc= 0 USER MOD Single : B 208 LYS NZ :NH3+ -179:sc= 1.1 (180deg=1.1) USER MOD Single : B 210 LYS NZ :NH3+ -171:sc= -0.0228 (180deg=-0.132) USER MOD Single : B 211 TYR OH : rot 180:sc= -0.0633 USER MOD Single : B 213 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -20.509 2.536 9.453 1.00 0.00 N ATOM 2 CA SER A 1 -19.144 2.155 9.025 1.00 0.00 C ATOM 3 C SER A 1 -19.034 2.096 7.503 1.00 0.00 C ATOM 4 O SER A 1 -18.013 1.673 6.960 1.00 0.00 O ATOM 5 CB SER A 1 -18.776 0.791 9.623 1.00 0.00 C ATOM 6 OG SER A 1 -18.763 0.836 11.040 1.00 0.00 O ATOM 0 H1 SER A 1 -20.575 2.485 10.490 1.00 0.00 H new ATOM 0 H2 SER A 1 -20.713 3.507 9.140 1.00 0.00 H new ATOM 0 H3 SER A 1 -21.200 1.884 9.030 1.00 0.00 H new ATOM 0 HA SER A 1 -18.452 2.916 9.386 1.00 0.00 H new ATOM 0 HB2 SER A 1 -19.491 0.040 9.288 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.796 0.484 9.258 1.00 0.00 H new ATOM 0 HG SER A 1 -18.527 -0.047 11.393 1.00 0.00 H new ATOM 14 N GLU A 2 -20.073 2.550 6.812 1.00 0.00 N ATOM 15 CA GLU A 2 -20.135 2.426 5.361 1.00 0.00 C ATOM 16 C GLU A 2 -19.436 3.585 4.657 1.00 0.00 C ATOM 17 O GLU A 2 -19.509 3.707 3.434 1.00 0.00 O ATOM 18 CB GLU A 2 -21.584 2.323 4.892 1.00 0.00 C ATOM 19 CG GLU A 2 -22.316 1.126 5.468 1.00 0.00 C ATOM 20 CD GLU A 2 -23.695 0.950 4.874 1.00 0.00 C ATOM 21 OE1 GLU A 2 -24.675 1.425 5.488 1.00 0.00 O ATOM 22 OE2 GLU A 2 -23.807 0.337 3.793 1.00 0.00 O ATOM 0 H GLU A 2 -20.883 3.006 7.232 1.00 0.00 H new ATOM 0 HA GLU A 2 -19.607 1.511 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.115 3.233 5.171 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -21.603 2.263 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -21.729 0.225 5.289 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -22.401 1.242 6.548 1.00 0.00 H new ATOM 29 N GLU A 3 -18.769 4.436 5.433 1.00 0.00 N ATOM 30 CA GLU A 3 -18.005 5.552 4.878 1.00 0.00 C ATOM 31 C GLU A 3 -17.043 5.068 3.795 1.00 0.00 C ATOM 32 O GLU A 3 -16.870 5.718 2.764 1.00 0.00 O ATOM 33 CB GLU A 3 -17.215 6.266 5.980 1.00 0.00 C ATOM 34 CG GLU A 3 -17.695 7.681 6.258 1.00 0.00 C ATOM 35 CD GLU A 3 -17.670 8.553 5.022 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.590 9.088 4.681 1.00 0.00 O ATOM 37 OE2 GLU A 3 -18.729 8.710 4.381 1.00 0.00 O ATOM 0 H GLU A 3 -18.742 4.374 6.451 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.714 6.251 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -17.281 5.683 6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.163 6.298 5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -18.710 7.646 6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -17.068 8.130 7.028 1.00 0.00 H new ATOM 44 N GLU A 4 -16.433 3.915 4.033 1.00 0.00 N ATOM 45 CA GLU A 4 -15.471 3.349 3.095 1.00 0.00 C ATOM 46 C GLU A 4 -16.155 2.822 1.834 1.00 0.00 C ATOM 47 O GLU A 4 -15.584 2.869 0.747 1.00 0.00 O ATOM 48 CB GLU A 4 -14.681 2.225 3.757 1.00 0.00 C ATOM 49 CG GLU A 4 -15.539 1.053 4.198 1.00 0.00 C ATOM 50 CD GLU A 4 -14.711 -0.106 4.688 1.00 0.00 C ATOM 51 OE1 GLU A 4 -14.115 0.000 5.780 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.649 -1.134 3.982 1.00 0.00 O ATOM 0 H GLU A 4 -16.587 3.352 4.869 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.791 4.149 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -13.923 1.867 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.154 2.625 4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.213 1.377 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.161 0.726 3.365 1.00 0.00 H new ATOM 59 N ASP A 5 -17.386 2.338 1.977 1.00 0.00 N ATOM 60 CA ASP A 5 -18.123 1.793 0.840 1.00 0.00 C ATOM 61 C ASP A 5 -18.803 2.919 0.076 1.00 0.00 C ATOM 62 O ASP A 5 -19.585 2.685 -0.846 1.00 0.00 O ATOM 63 CB ASP A 5 -19.159 0.748 1.282 1.00 0.00 C ATOM 64 CG ASP A 5 -18.529 -0.469 1.933 1.00 0.00 C ATOM 65 OD1 ASP A 5 -17.944 -1.304 1.209 1.00 0.00 O ATOM 66 OD2 ASP A 5 -18.628 -0.609 3.172 1.00 0.00 O ATOM 0 H ASP A 5 -17.892 2.312 2.862 1.00 0.00 H new ATOM 0 HA ASP A 5 -17.409 1.291 0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -19.856 1.208 1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -19.740 0.431 0.416 1.00 0.00 H new ATOM 71 N LYS A 6 -18.503 4.147 0.475 1.00 0.00 N ATOM 72 CA LYS A 6 -18.971 5.321 -0.219 1.00 0.00 C ATOM 73 C LYS A 6 -17.795 5.988 -0.926 1.00 0.00 C ATOM 74 O LYS A 6 -17.909 7.093 -1.455 1.00 0.00 O ATOM 75 CB LYS A 6 -19.613 6.284 0.779 1.00 0.00 C ATOM 76 CG LYS A 6 -21.138 6.250 0.796 1.00 0.00 C ATOM 77 CD LYS A 6 -21.727 6.726 -0.521 1.00 0.00 C ATOM 78 CE LYS A 6 -23.246 6.703 -0.485 1.00 0.00 C ATOM 79 NZ LYS A 6 -23.842 7.207 -1.750 1.00 0.00 N ATOM 0 H LYS A 6 -17.926 4.349 1.292 1.00 0.00 H new ATOM 0 HA LYS A 6 -19.718 5.041 -0.961 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -19.245 6.051 1.778 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -19.287 7.298 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -21.477 5.234 1.000 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.507 6.878 1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -21.381 7.738 -0.732 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -21.370 6.091 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -23.589 5.684 -0.304 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -23.598 7.311 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -24.879 7.174 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -23.537 8.188 -1.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -23.528 6.612 -2.543 1.00 0.00 H new ATOM 93 N CYS A 7 -16.664 5.292 -0.929 1.00 0.00 N ATOM 94 CA CYS A 7 -15.441 5.811 -1.524 1.00 0.00 C ATOM 95 C CYS A 7 -15.242 5.209 -2.910 1.00 0.00 C ATOM 96 O CYS A 7 -15.349 3.994 -3.096 1.00 0.00 O ATOM 97 CB CYS A 7 -14.231 5.493 -0.629 1.00 0.00 C ATOM 98 SG CYS A 7 -12.792 6.547 -0.932 1.00 0.00 S ATOM 0 H CYS A 7 -16.570 4.361 -0.523 1.00 0.00 H new ATOM 0 HA CYS A 7 -15.528 6.894 -1.616 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -14.528 5.593 0.415 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -13.944 4.452 -0.780 1.00 0.00 H new ATOM 0 HG CYS A 7 -11.827 6.205 -0.131 1.00 0.00 H new ATOM 104 N LYS A 8 -14.982 6.076 -3.879 1.00 0.00 N ATOM 105 CA LYS A 8 -14.764 5.654 -5.260 1.00 0.00 C ATOM 106 C LYS A 8 -13.544 4.732 -5.373 1.00 0.00 C ATOM 107 O LYS A 8 -12.561 4.879 -4.639 1.00 0.00 O ATOM 108 CB LYS A 8 -14.615 6.869 -6.180 1.00 0.00 C ATOM 109 CG LYS A 8 -13.193 7.361 -6.367 1.00 0.00 C ATOM 110 CD LYS A 8 -13.151 8.451 -7.413 1.00 0.00 C ATOM 111 CE LYS A 8 -11.740 8.972 -7.630 1.00 0.00 C ATOM 112 NZ LYS A 8 -11.703 10.075 -8.627 1.00 0.00 N ATOM 0 H LYS A 8 -14.916 7.084 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.639 5.088 -5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.028 6.619 -7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.216 7.685 -5.779 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.804 7.739 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.551 6.533 -6.668 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.545 8.067 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.799 9.273 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -11.334 9.326 -6.682 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.100 8.157 -7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -10.723 10.402 -8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.067 9.731 -9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.293 10.864 -8.294 1.00 0.00 H new ATOM 126 N PRO A 9 -13.601 3.765 -6.304 1.00 0.00 N ATOM 127 CA PRO A 9 -12.542 2.767 -6.482 1.00 0.00 C ATOM 128 C PRO A 9 -11.247 3.386 -6.986 1.00 0.00 C ATOM 129 O PRO A 9 -11.258 4.291 -7.825 1.00 0.00 O ATOM 130 CB PRO A 9 -13.119 1.808 -7.528 1.00 0.00 C ATOM 131 CG PRO A 9 -14.140 2.605 -8.261 1.00 0.00 C ATOM 132 CD PRO A 9 -14.700 3.581 -7.267 1.00 0.00 C ATOM 0 HA PRO A 9 -12.281 2.281 -5.542 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.343 1.446 -8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.566 0.933 -7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.693 3.125 -9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -14.924 1.961 -8.659 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.978 4.522 -7.742 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.596 3.191 -6.783 1.00 0.00 H new ATOM 140 N MET A 10 -10.139 2.902 -6.452 1.00 0.00 N ATOM 141 CA MET A 10 -8.826 3.381 -6.837 1.00 0.00 C ATOM 142 C MET A 10 -8.516 2.953 -8.266 1.00 0.00 C ATOM 143 O MET A 10 -8.421 1.759 -8.555 1.00 0.00 O ATOM 144 CB MET A 10 -7.762 2.846 -5.882 1.00 0.00 C ATOM 145 CG MET A 10 -6.423 3.528 -6.062 1.00 0.00 C ATOM 146 SD MET A 10 -6.388 5.196 -5.398 1.00 0.00 S ATOM 147 CE MET A 10 -5.934 4.890 -3.701 1.00 0.00 C ATOM 0 H MET A 10 -10.125 2.169 -5.743 1.00 0.00 H new ATOM 0 HA MET A 10 -8.820 4.470 -6.784 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.100 2.982 -4.855 1.00 0.00 H new ATOM 0 HB3 MET A 10 -7.644 1.774 -6.039 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.650 2.933 -5.575 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.178 3.561 -7.124 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.623 5.415 -3.040 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.982 3.820 -3.499 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.919 5.247 -3.526 1.00 0.00 H new ATOM 157 N SER A 11 -8.376 3.923 -9.161 1.00 0.00 N ATOM 158 CA SER A 11 -8.172 3.626 -10.573 1.00 0.00 C ATOM 159 C SER A 11 -6.742 3.154 -10.829 1.00 0.00 C ATOM 160 O SER A 11 -5.917 3.143 -9.917 1.00 0.00 O ATOM 161 CB SER A 11 -8.493 4.854 -11.430 1.00 0.00 C ATOM 162 OG SER A 11 -7.636 5.937 -11.110 1.00 0.00 O ATOM 0 H SER A 11 -8.400 4.918 -8.936 1.00 0.00 H new ATOM 0 HA SER A 11 -8.851 2.820 -10.853 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.388 4.602 -12.485 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.531 5.149 -11.274 1.00 0.00 H new ATOM 0 HG SER A 11 -7.879 6.298 -10.232 1.00 0.00 H new ATOM 168 N TYR A 12 -6.456 2.771 -12.069 1.00 0.00 N ATOM 169 CA TYR A 12 -5.149 2.226 -12.432 1.00 0.00 C ATOM 170 C TYR A 12 -4.011 3.174 -12.073 1.00 0.00 C ATOM 171 O TYR A 12 -3.104 2.805 -11.324 1.00 0.00 O ATOM 172 CB TYR A 12 -5.113 1.890 -13.930 1.00 0.00 C ATOM 173 CG TYR A 12 -3.717 1.687 -14.485 1.00 0.00 C ATOM 174 CD1 TYR A 12 -2.767 0.960 -13.782 1.00 0.00 C ATOM 175 CD2 TYR A 12 -3.350 2.237 -15.705 1.00 0.00 C ATOM 176 CE1 TYR A 12 -1.490 0.785 -14.272 1.00 0.00 C ATOM 177 CE2 TYR A 12 -2.076 2.065 -16.210 1.00 0.00 C ATOM 178 CZ TYR A 12 -1.151 1.341 -15.491 1.00 0.00 C ATOM 179 OH TYR A 12 0.119 1.175 -15.992 1.00 0.00 O ATOM 0 H TYR A 12 -7.115 2.828 -12.845 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.003 1.313 -11.854 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -5.696 0.985 -14.103 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.599 2.693 -14.483 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -3.033 0.522 -12.831 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.072 2.809 -16.269 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.762 0.219 -13.709 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.807 2.496 -17.163 1.00 0.00 H new ATOM 0 HH TYR A 12 0.191 1.628 -16.858 1.00 0.00 H new ATOM 189 N GLU A 13 -4.061 4.388 -12.599 1.00 0.00 N ATOM 190 CA GLU A 13 -2.997 5.357 -12.377 1.00 0.00 C ATOM 191 C GLU A 13 -2.834 5.653 -10.893 1.00 0.00 C ATOM 192 O GLU A 13 -1.752 6.020 -10.435 1.00 0.00 O ATOM 193 CB GLU A 13 -3.292 6.644 -13.140 1.00 0.00 C ATOM 194 CG GLU A 13 -3.387 6.444 -14.639 1.00 0.00 C ATOM 195 CD GLU A 13 -3.924 7.669 -15.342 1.00 0.00 C ATOM 196 OE1 GLU A 13 -5.153 7.886 -15.312 1.00 0.00 O ATOM 197 OE2 GLU A 13 -3.124 8.430 -15.923 1.00 0.00 O ATOM 0 H GLU A 13 -4.826 4.726 -13.182 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.064 4.931 -12.745 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.229 7.067 -12.777 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.510 7.372 -12.926 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.401 6.202 -15.035 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.033 5.592 -14.851 1.00 0.00 H new ATOM 204 N GLU A 14 -3.906 5.456 -10.139 1.00 0.00 N ATOM 205 CA GLU A 14 -3.875 5.700 -8.715 1.00 0.00 C ATOM 206 C GLU A 14 -3.259 4.509 -8.008 1.00 0.00 C ATOM 207 O GLU A 14 -2.403 4.669 -7.150 1.00 0.00 O ATOM 208 CB GLU A 14 -5.282 5.952 -8.184 1.00 0.00 C ATOM 209 CG GLU A 14 -5.901 7.265 -8.620 1.00 0.00 C ATOM 210 CD GLU A 14 -7.318 7.435 -8.106 1.00 0.00 C ATOM 211 OE1 GLU A 14 -7.521 8.169 -7.113 1.00 0.00 O ATOM 212 OE2 GLU A 14 -8.244 6.842 -8.702 1.00 0.00 O ATOM 0 H GLU A 14 -4.804 5.128 -10.494 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.271 6.587 -8.523 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.929 5.137 -8.508 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.254 5.924 -7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.286 8.090 -8.261 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.903 7.319 -9.709 1.00 0.00 H new ATOM 219 N LYS A 15 -3.714 3.318 -8.378 1.00 0.00 N ATOM 220 CA LYS A 15 -3.163 2.079 -7.874 1.00 0.00 C ATOM 221 C LYS A 15 -1.659 1.999 -8.061 1.00 0.00 C ATOM 222 O LYS A 15 -0.920 1.721 -7.114 1.00 0.00 O ATOM 223 CB LYS A 15 -3.808 0.894 -8.573 1.00 0.00 C ATOM 224 CG LYS A 15 -5.196 0.571 -8.062 1.00 0.00 C ATOM 225 CD LYS A 15 -5.595 -0.832 -8.458 1.00 0.00 C ATOM 226 CE LYS A 15 -6.788 -1.327 -7.660 1.00 0.00 C ATOM 227 NZ LYS A 15 -7.454 -2.473 -8.332 1.00 0.00 N ATOM 0 H LYS A 15 -4.480 3.191 -9.040 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.376 2.052 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.862 1.099 -9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.171 0.018 -8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.222 0.670 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.913 1.286 -8.465 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.834 -0.855 -9.521 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.752 -1.506 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.462 -1.627 -6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.503 -0.514 -7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.797 -3.144 -7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.257 -2.127 -8.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.774 -2.952 -8.957 1.00 0.00 H new ATOM 241 N ARG A 16 -1.212 2.224 -9.285 1.00 0.00 N ATOM 242 CA ARG A 16 0.203 2.156 -9.591 1.00 0.00 C ATOM 243 C ARG A 16 0.963 3.204 -8.810 1.00 0.00 C ATOM 244 O ARG A 16 2.033 2.920 -8.271 1.00 0.00 O ATOM 245 CB ARG A 16 0.444 2.317 -11.100 1.00 0.00 C ATOM 246 CG ARG A 16 1.879 2.627 -11.497 1.00 0.00 C ATOM 247 CD ARG A 16 2.079 2.376 -12.979 1.00 0.00 C ATOM 248 NE ARG A 16 1.863 0.973 -13.323 1.00 0.00 N ATOM 249 CZ ARG A 16 2.514 0.333 -14.295 1.00 0.00 C ATOM 250 NH1 ARG A 16 3.422 0.969 -15.026 1.00 0.00 N ATOM 251 NH2 ARG A 16 2.254 -0.945 -14.535 1.00 0.00 N ATOM 0 H ARG A 16 -1.808 2.455 -10.080 1.00 0.00 H new ATOM 0 HA ARG A 16 0.571 1.174 -9.295 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.135 1.399 -11.601 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.199 3.115 -11.471 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.113 3.665 -11.262 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.565 2.007 -10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.392 3.001 -13.550 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.089 2.669 -13.265 1.00 0.00 H new ATOM 0 HE ARG A 16 1.171 0.450 -12.786 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.625 1.952 -14.845 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.917 0.474 -15.768 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.557 -1.437 -13.976 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.751 -1.436 -15.278 1.00 0.00 H new ATOM 265 N GLN A 17 0.406 4.404 -8.706 1.00 0.00 N ATOM 266 CA GLN A 17 1.077 5.429 -7.949 1.00 0.00 C ATOM 267 C GLN A 17 1.050 5.068 -6.469 1.00 0.00 C ATOM 268 O GLN A 17 2.035 5.250 -5.778 1.00 0.00 O ATOM 269 CB GLN A 17 0.484 6.823 -8.215 1.00 0.00 C ATOM 270 CG GLN A 17 1.258 7.926 -7.523 1.00 0.00 C ATOM 271 CD GLN A 17 2.685 8.024 -8.020 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.965 7.804 -9.200 1.00 0.00 O ATOM 273 NE2 GLN A 17 3.605 8.311 -7.117 1.00 0.00 N ATOM 0 H GLN A 17 -0.482 4.678 -9.126 1.00 0.00 H new ATOM 0 HA GLN A 17 2.116 5.480 -8.275 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.473 7.010 -9.289 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.552 6.844 -7.877 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.753 8.878 -7.685 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.261 7.746 -6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.333 8.487 -6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.588 8.357 -7.387 1.00 0.00 H new ATOM 282 N LEU A 18 -0.054 4.480 -6.021 1.00 0.00 N ATOM 283 CA LEU A 18 -0.227 4.060 -4.635 1.00 0.00 C ATOM 284 C LEU A 18 0.836 3.065 -4.243 1.00 0.00 C ATOM 285 O LEU A 18 1.475 3.196 -3.202 1.00 0.00 O ATOM 286 CB LEU A 18 -1.603 3.428 -4.419 1.00 0.00 C ATOM 287 CG LEU A 18 -2.547 4.168 -3.464 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.017 3.276 -2.335 1.00 0.00 C ATOM 289 CD2 LEU A 18 -1.905 5.408 -2.884 1.00 0.00 C ATOM 0 H LEU A 18 -0.860 4.280 -6.614 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.141 4.950 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.095 3.341 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.459 2.415 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.408 4.465 -4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.684 3.838 -1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.550 2.419 -2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.156 2.928 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.608 5.902 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.009 5.128 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.634 6.089 -3.691 1.00 0.00 H new ATOM 301 N SER A 19 1.019 2.070 -5.096 1.00 0.00 N ATOM 302 CA SER A 19 2.024 1.050 -4.882 1.00 0.00 C ATOM 303 C SER A 19 3.399 1.704 -4.769 1.00 0.00 C ATOM 304 O SER A 19 4.286 1.221 -4.061 1.00 0.00 O ATOM 305 CB SER A 19 2.000 0.054 -6.041 1.00 0.00 C ATOM 306 OG SER A 19 0.678 -0.395 -6.303 1.00 0.00 O ATOM 0 H SER A 19 0.476 1.950 -5.951 1.00 0.00 H new ATOM 0 HA SER A 19 1.812 0.515 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.412 0.522 -6.935 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.637 -0.799 -5.805 1.00 0.00 H new ATOM 0 HG SER A 19 0.169 0.322 -6.736 1.00 0.00 H new ATOM 312 N LEU A 20 3.552 2.813 -5.478 1.00 0.00 N ATOM 313 CA LEU A 20 4.774 3.604 -5.431 1.00 0.00 C ATOM 314 C LEU A 20 4.850 4.486 -4.171 1.00 0.00 C ATOM 315 O LEU A 20 5.867 4.473 -3.483 1.00 0.00 O ATOM 316 CB LEU A 20 4.886 4.464 -6.688 1.00 0.00 C ATOM 317 CG LEU A 20 5.005 3.685 -7.996 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.934 4.624 -9.190 1.00 0.00 C ATOM 319 CD2 LEU A 20 6.295 2.891 -8.014 1.00 0.00 C ATOM 0 H LEU A 20 2.836 3.189 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 20 5.613 2.910 -5.387 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.011 5.111 -6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.756 5.113 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 20 4.168 2.990 -8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.021 4.048 -10.111 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.981 5.153 -9.181 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.749 5.345 -9.135 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.370 2.339 -8.951 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.142 3.571 -7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.303 2.190 -7.179 1.00 0.00 H new ATOM 331 N ASP A 21 3.797 5.265 -3.876 1.00 0.00 N ATOM 332 CA ASP A 21 3.752 6.078 -2.671 1.00 0.00 C ATOM 333 C ASP A 21 4.034 5.217 -1.450 1.00 0.00 C ATOM 334 O ASP A 21 4.767 5.610 -0.538 1.00 0.00 O ATOM 335 CB ASP A 21 2.410 6.769 -2.509 1.00 0.00 C ATOM 336 CG ASP A 21 1.748 7.208 -3.798 1.00 0.00 C ATOM 337 OD1 ASP A 21 0.550 6.921 -3.985 1.00 0.00 O ATOM 338 OD2 ASP A 21 2.408 7.904 -4.600 1.00 0.00 O ATOM 0 H ASP A 21 2.967 5.342 -4.464 1.00 0.00 H new ATOM 0 HA ASP A 21 4.518 6.847 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.734 6.094 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.545 7.644 -1.873 1.00 0.00 H new ATOM 343 N ILE A 22 3.469 4.025 -1.469 1.00 0.00 N ATOM 344 CA ILE A 22 3.677 3.050 -0.416 1.00 0.00 C ATOM 345 C ILE A 22 5.135 2.612 -0.344 1.00 0.00 C ATOM 346 O ILE A 22 5.723 2.552 0.731 1.00 0.00 O ATOM 347 CB ILE A 22 2.777 1.825 -0.617 1.00 0.00 C ATOM 348 CG1 ILE A 22 1.329 2.174 -0.262 1.00 0.00 C ATOM 349 CG2 ILE A 22 3.278 0.673 0.231 1.00 0.00 C ATOM 350 CD1 ILE A 22 0.332 1.125 -0.697 1.00 0.00 C ATOM 0 H ILE A 22 2.852 3.705 -2.216 1.00 0.00 H new ATOM 0 HA ILE A 22 3.414 3.531 0.526 1.00 0.00 H new ATOM 0 HB ILE A 22 2.809 1.522 -1.664 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.251 2.313 0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.069 3.126 -0.726 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.634 -0.194 0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.297 0.422 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.263 0.961 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.673 1.438 -0.413 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.382 1.002 -1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.567 0.177 -0.213 1.00 0.00 H new ATOM 362 N ASN A 23 5.725 2.316 -1.490 1.00 0.00 N ATOM 363 CA ASN A 23 7.101 1.832 -1.522 1.00 0.00 C ATOM 364 C ASN A 23 8.096 2.957 -1.217 1.00 0.00 C ATOM 365 O ASN A 23 9.272 2.697 -0.953 1.00 0.00 O ATOM 366 CB ASN A 23 7.416 1.158 -2.868 1.00 0.00 C ATOM 367 CG ASN A 23 8.120 2.054 -3.878 1.00 0.00 C ATOM 368 OD1 ASN A 23 7.486 2.681 -4.719 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.440 2.102 -3.817 1.00 0.00 N ATOM 0 H ASN A 23 5.281 2.400 -2.404 1.00 0.00 H new ATOM 0 HA ASN A 23 7.208 1.081 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 23 8.038 0.282 -2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.484 0.801 -3.307 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.961 2.673 -4.482 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.937 1.568 -3.104 1.00 0.00 H new ATOM 376 N LYS A 24 7.629 4.203 -1.261 1.00 0.00 N ATOM 377 CA LYS A 24 8.454 5.340 -0.866 1.00 0.00 C ATOM 378 C LYS A 24 8.704 5.326 0.632 1.00 0.00 C ATOM 379 O LYS A 24 9.737 5.807 1.103 1.00 0.00 O ATOM 380 CB LYS A 24 7.787 6.658 -1.239 1.00 0.00 C ATOM 381 CG LYS A 24 7.660 6.872 -2.730 1.00 0.00 C ATOM 382 CD LYS A 24 6.915 8.156 -3.039 1.00 0.00 C ATOM 383 CE LYS A 24 6.424 8.193 -4.473 1.00 0.00 C ATOM 384 NZ LYS A 24 7.542 8.262 -5.455 1.00 0.00 N ATOM 0 H LYS A 24 6.687 4.449 -1.565 1.00 0.00 H new ATOM 0 HA LYS A 24 9.401 5.253 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.795 6.693 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.360 7.480 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.652 6.907 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.136 6.028 -3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.067 8.255 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.570 9.008 -2.857 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.824 7.305 -4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.771 9.055 -4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.155 8.285 -6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.101 9.123 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.152 7.426 -5.346 1.00 0.00 H new ATOM 398 N LEU A 25 7.740 4.798 1.376 1.00 0.00 N ATOM 399 CA LEU A 25 7.832 4.734 2.822 1.00 0.00 C ATOM 400 C LEU A 25 9.066 3.961 3.269 1.00 0.00 C ATOM 401 O LEU A 25 9.518 3.029 2.598 1.00 0.00 O ATOM 402 CB LEU A 25 6.602 4.043 3.402 1.00 0.00 C ATOM 403 CG LEU A 25 5.251 4.522 2.895 1.00 0.00 C ATOM 404 CD1 LEU A 25 4.169 3.615 3.441 1.00 0.00 C ATOM 405 CD2 LEU A 25 4.988 5.956 3.319 1.00 0.00 C ATOM 0 H LEU A 25 6.880 4.406 0.994 1.00 0.00 H new ATOM 0 HA LEU A 25 7.899 5.760 3.184 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.683 2.975 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.622 4.164 4.485 1.00 0.00 H new ATOM 0 HG LEU A 25 5.250 4.488 1.806 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.196 3.952 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.346 2.594 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.184 3.646 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.015 6.274 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.996 6.021 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.764 6.604 2.911 1.00 0.00 H new ATOM 417 N PRO A 26 9.647 4.371 4.398 1.00 0.00 N ATOM 418 CA PRO A 26 10.642 3.564 5.096 1.00 0.00 C ATOM 419 C PRO A 26 10.037 2.229 5.536 1.00 0.00 C ATOM 420 O PRO A 26 8.826 2.146 5.742 1.00 0.00 O ATOM 421 CB PRO A 26 11.035 4.401 6.320 1.00 0.00 C ATOM 422 CG PRO A 26 10.467 5.771 6.098 1.00 0.00 C ATOM 423 CD PRO A 26 9.396 5.667 5.042 1.00 0.00 C ATOM 0 HA PRO A 26 11.498 3.328 4.463 1.00 0.00 H new ATOM 0 HB2 PRO A 26 10.639 3.960 7.235 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.119 4.443 6.430 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.051 6.166 7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.249 6.461 5.781 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.399 5.707 5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.462 6.486 4.326 1.00 0.00 H new ATOM 431 N GLY A 27 10.872 1.203 5.679 1.00 0.00 N ATOM 432 CA GLY A 27 10.389 -0.153 5.941 1.00 0.00 C ATOM 433 C GLY A 27 9.333 -0.239 7.033 1.00 0.00 C ATOM 434 O GLY A 27 8.326 -0.930 6.871 1.00 0.00 O ATOM 0 H GLY A 27 11.887 1.283 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 27 9.977 -0.564 5.019 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.236 -0.781 6.220 1.00 0.00 H new ATOM 438 N GLU A 28 9.559 0.473 8.133 1.00 0.00 N ATOM 439 CA GLU A 28 8.628 0.495 9.260 1.00 0.00 C ATOM 440 C GLU A 28 7.228 0.926 8.818 1.00 0.00 C ATOM 441 O GLU A 28 6.221 0.429 9.322 1.00 0.00 O ATOM 442 CB GLU A 28 9.141 1.458 10.333 1.00 0.00 C ATOM 443 CG GLU A 28 8.319 1.456 11.612 1.00 0.00 C ATOM 444 CD GLU A 28 8.427 0.150 12.368 1.00 0.00 C ATOM 445 OE1 GLU A 28 9.509 -0.127 12.928 1.00 0.00 O ATOM 446 OE2 GLU A 28 7.436 -0.611 12.407 1.00 0.00 O ATOM 0 H GLU A 28 10.389 1.050 8.270 1.00 0.00 H new ATOM 0 HA GLU A 28 8.564 -0.515 9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.172 1.199 10.576 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.154 2.468 9.923 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.650 2.272 12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.274 1.646 11.369 1.00 0.00 H new ATOM 453 N LYS A 29 7.170 1.835 7.855 1.00 0.00 N ATOM 454 CA LYS A 29 5.910 2.413 7.432 1.00 0.00 C ATOM 455 C LYS A 29 5.161 1.489 6.471 1.00 0.00 C ATOM 456 O LYS A 29 3.931 1.483 6.439 1.00 0.00 O ATOM 457 CB LYS A 29 6.147 3.777 6.793 1.00 0.00 C ATOM 458 CG LYS A 29 6.421 4.925 7.778 1.00 0.00 C ATOM 459 CD LYS A 29 5.781 4.750 9.150 1.00 0.00 C ATOM 460 CE LYS A 29 6.203 5.887 10.063 1.00 0.00 C ATOM 461 NZ LYS A 29 6.282 7.188 9.342 1.00 0.00 N ATOM 0 H LYS A 29 7.985 2.187 7.353 1.00 0.00 H new ATOM 0 HA LYS A 29 5.284 2.540 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.992 3.698 6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.274 4.035 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.499 5.028 7.905 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.061 5.856 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.695 4.731 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.080 3.795 9.582 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.493 5.972 10.886 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.174 5.657 10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.151 7.968 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.213 7.277 8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.537 7.229 8.617 1.00 0.00 H new ATOM 475 N LEU A 30 5.880 0.657 5.725 1.00 0.00 N ATOM 476 CA LEU A 30 5.205 -0.373 4.942 1.00 0.00 C ATOM 477 C LEU A 30 4.674 -1.438 5.894 1.00 0.00 C ATOM 478 O LEU A 30 3.856 -2.278 5.522 1.00 0.00 O ATOM 479 CB LEU A 30 6.105 -1.007 3.878 1.00 0.00 C ATOM 480 CG LEU A 30 6.526 -0.101 2.726 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.954 0.358 2.900 1.00 0.00 C ATOM 482 CD2 LEU A 30 6.370 -0.819 1.397 1.00 0.00 C ATOM 0 H LEU A 30 6.897 0.671 5.646 1.00 0.00 H new ATOM 0 HA LEU A 30 4.387 0.101 4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.005 -1.379 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.588 -1.872 3.462 1.00 0.00 H new ATOM 0 HG LEU A 30 5.876 0.774 2.731 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.233 1.003 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 30 8.047 0.912 3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.614 -0.509 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.675 -0.156 0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.995 -1.712 1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.327 -1.105 1.258 1.00 0.00 H new ATOM 494 N GLY A 31 5.141 -1.365 7.141 1.00 0.00 N ATOM 495 CA GLY A 31 4.631 -2.215 8.198 1.00 0.00 C ATOM 496 C GLY A 31 3.133 -2.048 8.375 1.00 0.00 C ATOM 497 O GLY A 31 2.415 -2.994 8.705 1.00 0.00 O ATOM 0 H GLY A 31 5.874 -0.721 7.437 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.857 -3.256 7.969 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.137 -1.977 9.133 1.00 0.00 H new ATOM 501 N ARG A 32 2.678 -0.834 8.120 1.00 0.00 N ATOM 502 CA ARG A 32 1.281 -0.455 8.297 1.00 0.00 C ATOM 503 C ARG A 32 0.405 -0.909 7.127 1.00 0.00 C ATOM 504 O ARG A 32 -0.634 -1.528 7.338 1.00 0.00 O ATOM 505 CB ARG A 32 1.187 1.062 8.469 1.00 0.00 C ATOM 506 CG ARG A 32 -0.201 1.632 8.202 1.00 0.00 C ATOM 507 CD ARG A 32 -0.901 2.052 9.478 1.00 0.00 C ATOM 508 NE ARG A 32 -0.121 3.026 10.238 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.647 3.942 11.052 1.00 0.00 C ATOM 510 NH1 ARG A 32 -1.962 4.019 11.222 1.00 0.00 N ATOM 511 NH2 ARG A 32 0.150 4.786 11.691 1.00 0.00 N ATOM 0 H ARG A 32 3.270 -0.075 7.781 1.00 0.00 H new ATOM 0 HA ARG A 32 0.907 -0.957 9.189 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.486 1.321 9.485 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.900 1.538 7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.118 2.491 7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.806 0.886 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.874 2.479 9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.084 1.173 10.096 1.00 0.00 H new ATOM 0 HE ARG A 32 0.894 3.004 10.139 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.579 3.374 10.728 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.355 4.723 11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.160 4.733 11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.247 5.489 12.315 1.00 0.00 H new ATOM 525 N VAL A 33 0.811 -0.587 5.902 1.00 0.00 N ATOM 526 CA VAL A 33 0.024 -0.937 4.716 1.00 0.00 C ATOM 527 C VAL A 33 -0.230 -2.425 4.622 1.00 0.00 C ATOM 528 O VAL A 33 -1.341 -2.834 4.298 1.00 0.00 O ATOM 529 CB VAL A 33 0.677 -0.444 3.413 1.00 0.00 C ATOM 530 CG1 VAL A 33 0.305 1.004 3.168 1.00 0.00 C ATOM 531 CG2 VAL A 33 2.186 -0.595 3.463 1.00 0.00 C ATOM 0 H VAL A 33 1.677 -0.086 5.701 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.931 -0.426 4.836 1.00 0.00 H new ATOM 0 HB VAL A 33 0.306 -1.057 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.770 1.348 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.778 1.092 3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.655 1.615 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.619 -0.238 2.528 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.583 -0.010 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.442 -1.645 3.604 1.00 0.00 H new ATOM 541 N VAL A 34 0.772 -3.241 4.916 1.00 0.00 N ATOM 542 CA VAL A 34 0.552 -4.673 4.898 1.00 0.00 C ATOM 543 C VAL A 34 -0.417 -5.066 6.002 1.00 0.00 C ATOM 544 O VAL A 34 -1.273 -5.918 5.802 1.00 0.00 O ATOM 545 CB VAL A 34 1.829 -5.504 5.050 1.00 0.00 C ATOM 546 CG1 VAL A 34 1.536 -6.918 4.640 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.981 -4.930 4.244 1.00 0.00 C ATOM 0 H VAL A 34 1.717 -2.945 5.162 1.00 0.00 H new ATOM 0 HA VAL A 34 0.142 -4.893 3.912 1.00 0.00 H new ATOM 0 HB VAL A 34 2.142 -5.479 6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.438 -7.521 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.751 -7.326 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.206 -6.935 3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.866 -5.551 4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.712 -4.910 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.193 -3.916 4.583 1.00 0.00 H new ATOM 557 N HIS A 35 -0.297 -4.421 7.161 1.00 0.00 N ATOM 558 CA HIS A 35 -1.212 -4.673 8.263 1.00 0.00 C ATOM 559 C HIS A 35 -2.627 -4.311 7.839 1.00 0.00 C ATOM 560 O HIS A 35 -3.577 -5.029 8.142 1.00 0.00 O ATOM 561 CB HIS A 35 -0.788 -3.875 9.500 1.00 0.00 C ATOM 562 CG HIS A 35 -1.776 -3.909 10.630 1.00 0.00 C ATOM 563 ND1 HIS A 35 -1.760 -4.867 11.620 1.00 0.00 N ATOM 564 CD2 HIS A 35 -2.811 -3.086 10.922 1.00 0.00 C ATOM 565 CE1 HIS A 35 -2.744 -4.635 12.469 1.00 0.00 C ATOM 566 NE2 HIS A 35 -3.398 -3.560 12.069 1.00 0.00 N ATOM 0 H HIS A 35 0.422 -3.725 7.357 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.184 -5.731 8.523 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.167 -4.262 9.857 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.623 -2.838 9.209 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.118 -2.218 10.357 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -2.975 -5.225 13.343 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.207 -3.149 12.536 1.00 0.00 H new ATOM 575 N ILE A 36 -2.758 -3.195 7.132 1.00 0.00 N ATOM 576 CA ILE A 36 -4.035 -2.813 6.562 1.00 0.00 C ATOM 577 C ILE A 36 -4.498 -3.873 5.569 1.00 0.00 C ATOM 578 O ILE A 36 -5.498 -4.539 5.798 1.00 0.00 O ATOM 579 CB ILE A 36 -3.995 -1.439 5.855 1.00 0.00 C ATOM 580 CG1 ILE A 36 -3.744 -0.314 6.851 1.00 0.00 C ATOM 581 CG2 ILE A 36 -5.320 -1.213 5.149 1.00 0.00 C ATOM 582 CD1 ILE A 36 -3.459 1.018 6.194 1.00 0.00 C ATOM 0 H ILE A 36 -1.996 -2.544 6.943 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.735 -2.732 7.393 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.177 -1.437 5.135 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.614 -0.212 7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.902 -0.584 7.488 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.304 -0.246 4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.480 -2.002 4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.129 -1.229 5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.290 1.773 6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.571 0.932 5.567 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.310 1.310 5.579 1.00 0.00 H new ATOM 594 N ILE A 37 -3.751 -4.037 4.483 1.00 0.00 N ATOM 595 CA ILE A 37 -4.101 -5.004 3.445 1.00 0.00 C ATOM 596 C ILE A 37 -4.414 -6.393 4.019 1.00 0.00 C ATOM 597 O ILE A 37 -5.486 -6.914 3.789 1.00 0.00 O ATOM 598 CB ILE A 37 -2.998 -5.123 2.388 1.00 0.00 C ATOM 599 CG1 ILE A 37 -3.052 -3.933 1.442 1.00 0.00 C ATOM 600 CG2 ILE A 37 -3.148 -6.418 1.613 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.727 -3.249 1.262 1.00 0.00 C ATOM 0 H ILE A 37 -2.897 -3.512 4.297 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.005 -4.620 2.973 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.030 -5.130 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.414 -4.268 0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.776 -3.211 1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.358 -6.489 0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -3.076 -7.263 2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.119 -6.435 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.841 -2.410 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.373 -2.883 2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.005 -3.956 0.855 1.00 0.00 H new ATOM 613 N GLN A 38 -3.487 -6.976 4.778 1.00 0.00 N ATOM 614 CA GLN A 38 -3.656 -8.340 5.304 1.00 0.00 C ATOM 615 C GLN A 38 -4.913 -8.476 6.163 1.00 0.00 C ATOM 616 O GLN A 38 -5.583 -9.509 6.137 1.00 0.00 O ATOM 617 CB GLN A 38 -2.437 -8.745 6.131 1.00 0.00 C ATOM 618 CG GLN A 38 -1.228 -9.139 5.299 1.00 0.00 C ATOM 619 CD GLN A 38 0.026 -9.332 6.130 1.00 0.00 C ATOM 620 OE1 GLN A 38 0.191 -8.722 7.188 1.00 0.00 O ATOM 621 NE2 GLN A 38 0.927 -10.171 5.642 1.00 0.00 N ATOM 0 H GLN A 38 -2.610 -6.529 5.045 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.760 -9.001 4.443 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.162 -7.916 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.710 -9.581 6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.448 -10.062 4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.045 -8.371 4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.749 -10.655 4.762 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.799 -10.333 6.146 1.00 0.00 H new ATOM 630 N SER A 39 -5.219 -7.448 6.945 1.00 0.00 N ATOM 631 CA SER A 39 -6.390 -7.469 7.804 1.00 0.00 C ATOM 632 C SER A 39 -7.673 -7.292 6.991 1.00 0.00 C ATOM 633 O SER A 39 -8.706 -7.902 7.281 1.00 0.00 O ATOM 634 CB SER A 39 -6.284 -6.370 8.862 1.00 0.00 C ATOM 635 OG SER A 39 -6.275 -5.078 8.283 1.00 0.00 O ATOM 0 H SER A 39 -4.670 -6.590 7.000 1.00 0.00 H new ATOM 0 HA SER A 39 -6.432 -8.440 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.121 -6.451 9.555 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.374 -6.513 9.444 1.00 0.00 H new ATOM 0 HG SER A 39 -5.636 -5.057 7.541 1.00 0.00 H new ATOM 641 N ARG A 40 -7.593 -6.443 5.982 1.00 0.00 N ATOM 642 CA ARG A 40 -8.728 -6.146 5.118 1.00 0.00 C ATOM 643 C ARG A 40 -8.912 -7.245 4.073 1.00 0.00 C ATOM 644 O ARG A 40 -10.018 -7.490 3.593 1.00 0.00 O ATOM 645 CB ARG A 40 -8.513 -4.787 4.444 1.00 0.00 C ATOM 646 CG ARG A 40 -8.264 -3.656 5.429 1.00 0.00 C ATOM 647 CD ARG A 40 -9.213 -2.508 5.196 1.00 0.00 C ATOM 648 NE ARG A 40 -10.601 -2.953 5.256 1.00 0.00 N ATOM 649 CZ ARG A 40 -11.648 -2.155 5.119 1.00 0.00 C ATOM 650 NH1 ARG A 40 -11.484 -0.853 4.919 1.00 0.00 N ATOM 651 NH2 ARG A 40 -12.870 -2.665 5.183 1.00 0.00 N ATOM 0 H ARG A 40 -6.741 -5.939 5.736 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.635 -6.105 5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.665 -4.858 3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.388 -4.547 3.840 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.380 -4.026 6.448 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.236 -3.306 5.332 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.043 -1.734 5.945 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.014 -2.059 4.223 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.776 -3.945 5.414 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.544 -0.459 4.870 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.298 -0.247 4.815 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.998 -3.665 5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.682 -2.057 5.078 1.00 0.00 H new ATOM 665 N GLU A 41 -7.816 -7.903 3.740 1.00 0.00 N ATOM 666 CA GLU A 41 -7.807 -8.983 2.767 1.00 0.00 C ATOM 667 C GLU A 41 -7.310 -10.265 3.437 1.00 0.00 C ATOM 668 O GLU A 41 -6.143 -10.638 3.287 1.00 0.00 O ATOM 669 CB GLU A 41 -6.883 -8.624 1.601 1.00 0.00 C ATOM 670 CG GLU A 41 -7.086 -7.214 1.067 1.00 0.00 C ATOM 671 CD GLU A 41 -8.403 -7.042 0.338 1.00 0.00 C ATOM 672 OE1 GLU A 41 -9.019 -5.957 0.451 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.839 -7.990 -0.346 1.00 0.00 O ATOM 0 H GLU A 41 -6.899 -7.702 4.140 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.818 -9.136 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.848 -8.735 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.043 -9.336 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.041 -6.507 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.268 -6.966 0.391 1.00 0.00 H new ATOM 680 N PRO A 42 -8.184 -10.962 4.191 1.00 0.00 N ATOM 681 CA PRO A 42 -7.793 -12.135 4.997 1.00 0.00 C ATOM 682 C PRO A 42 -7.266 -13.315 4.173 1.00 0.00 C ATOM 683 O PRO A 42 -6.934 -14.363 4.725 1.00 0.00 O ATOM 684 CB PRO A 42 -9.089 -12.542 5.706 1.00 0.00 C ATOM 685 CG PRO A 42 -9.989 -11.359 5.612 1.00 0.00 C ATOM 686 CD PRO A 42 -9.618 -10.650 4.341 1.00 0.00 C ATOM 0 HA PRO A 42 -6.970 -11.877 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.538 -13.414 5.231 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.899 -12.808 6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.035 -11.666 5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.863 -10.704 6.474 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.200 -11.011 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.792 -9.576 4.413 1.00 0.00 H new ATOM 694 N SER A 43 -7.181 -13.147 2.866 1.00 0.00 N ATOM 695 CA SER A 43 -6.771 -14.223 1.987 1.00 0.00 C ATOM 696 C SER A 43 -5.263 -14.200 1.742 1.00 0.00 C ATOM 697 O SER A 43 -4.700 -15.161 1.224 1.00 0.00 O ATOM 698 CB SER A 43 -7.530 -14.101 0.663 1.00 0.00 C ATOM 699 OG SER A 43 -8.933 -14.099 0.886 1.00 0.00 O ATOM 0 H SER A 43 -7.392 -12.270 2.389 1.00 0.00 H new ATOM 0 HA SER A 43 -7.008 -15.175 2.462 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.237 -13.183 0.153 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.262 -14.929 0.007 1.00 0.00 H new ATOM 0 HG SER A 43 -9.400 -14.019 0.028 1.00 0.00 H new ATOM 705 N LEU A 44 -4.602 -13.113 2.126 1.00 0.00 N ATOM 706 CA LEU A 44 -3.173 -12.975 1.863 1.00 0.00 C ATOM 707 C LEU A 44 -2.359 -12.882 3.151 1.00 0.00 C ATOM 708 O LEU A 44 -1.257 -12.334 3.165 1.00 0.00 O ATOM 709 CB LEU A 44 -2.914 -11.768 0.952 1.00 0.00 C ATOM 710 CG LEU A 44 -3.527 -10.444 1.385 1.00 0.00 C ATOM 711 CD1 LEU A 44 -2.597 -9.714 2.325 1.00 0.00 C ATOM 712 CD2 LEU A 44 -3.844 -9.593 0.167 1.00 0.00 C ATOM 0 H LEU A 44 -5.025 -12.324 2.614 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.841 -13.877 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.836 -11.632 0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.287 -12.007 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.457 -10.643 1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.051 -8.769 2.625 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.418 -10.327 3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.651 -9.518 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.282 -8.648 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.927 -9.398 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.551 -10.122 -0.473 1.00 0.00 H new ATOM 724 N LYS A 45 -2.881 -13.455 4.227 1.00 0.00 N ATOM 725 CA LYS A 45 -2.172 -13.440 5.504 1.00 0.00 C ATOM 726 C LYS A 45 -1.104 -14.531 5.538 1.00 0.00 C ATOM 727 O LYS A 45 -0.423 -14.725 6.545 1.00 0.00 O ATOM 728 CB LYS A 45 -3.148 -13.597 6.674 1.00 0.00 C ATOM 729 CG LYS A 45 -3.904 -14.914 6.678 1.00 0.00 C ATOM 730 CD LYS A 45 -5.250 -14.804 7.379 1.00 0.00 C ATOM 731 CE LYS A 45 -5.098 -14.682 8.888 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.404 -14.462 9.565 1.00 0.00 N ATOM 0 H LYS A 45 -3.783 -13.932 4.245 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.678 -12.474 5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.595 -13.505 7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.867 -12.778 6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.058 -15.246 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.301 -15.676 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.788 -13.936 6.997 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.853 -15.681 7.145 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.635 -15.588 9.280 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.426 -13.855 9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.254 -14.385 10.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.835 -13.584 9.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.037 -15.263 9.367 1.00 0.00 H new ATOM 746 N ASN A 46 -0.969 -15.235 4.422 1.00 0.00 N ATOM 747 CA ASN A 46 0.070 -16.246 4.258 1.00 0.00 C ATOM 748 C ASN A 46 1.407 -15.574 3.961 1.00 0.00 C ATOM 749 O ASN A 46 2.473 -16.107 4.278 1.00 0.00 O ATOM 750 CB ASN A 46 -0.306 -17.232 3.124 1.00 0.00 C ATOM 751 CG ASN A 46 -0.970 -16.538 1.937 1.00 0.00 C ATOM 752 OD1 ASN A 46 -0.576 -15.440 1.543 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.017 -17.146 1.384 1.00 0.00 N ATOM 0 H ASN A 46 -1.573 -15.123 3.608 1.00 0.00 H new ATOM 0 HA ASN A 46 0.159 -16.812 5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.592 -17.747 2.783 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.979 -17.993 3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.516 -16.702 0.613 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.321 -18.056 1.732 1.00 0.00 H new ATOM 760 N SER A 47 1.334 -14.399 3.354 1.00 0.00 N ATOM 761 CA SER A 47 2.512 -13.605 3.067 1.00 0.00 C ATOM 762 C SER A 47 3.087 -13.038 4.363 1.00 0.00 C ATOM 763 O SER A 47 2.404 -12.332 5.099 1.00 0.00 O ATOM 764 CB SER A 47 2.142 -12.484 2.095 1.00 0.00 C ATOM 765 OG SER A 47 1.545 -13.011 0.920 1.00 0.00 O ATOM 0 H SER A 47 0.459 -13.973 3.049 1.00 0.00 H new ATOM 0 HA SER A 47 3.275 -14.231 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.454 -11.790 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.034 -11.916 1.831 1.00 0.00 H new ATOM 0 HG SER A 47 1.315 -12.277 0.313 1.00 0.00 H new ATOM 771 N ASN A 48 4.334 -13.373 4.645 1.00 0.00 N ATOM 772 CA ASN A 48 4.998 -12.909 5.861 1.00 0.00 C ATOM 773 C ASN A 48 5.432 -11.466 5.664 1.00 0.00 C ATOM 774 O ASN A 48 6.001 -11.165 4.632 1.00 0.00 O ATOM 775 CB ASN A 48 6.226 -13.772 6.158 1.00 0.00 C ATOM 776 CG ASN A 48 6.250 -14.307 7.575 1.00 0.00 C ATOM 777 OD1 ASN A 48 5.764 -13.668 8.508 1.00 0.00 O ATOM 778 ND2 ASN A 48 6.815 -15.489 7.746 1.00 0.00 N ATOM 0 H ASN A 48 4.912 -13.966 4.050 1.00 0.00 H new ATOM 0 HA ASN A 48 4.306 -12.983 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.252 -14.609 5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.127 -13.183 5.983 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.860 -15.903 8.677 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.207 -15.987 6.947 1.00 0.00 H new ATOM 785 N PRO A 49 5.169 -10.548 6.608 1.00 0.00 N ATOM 786 CA PRO A 49 5.340 -9.104 6.353 1.00 0.00 C ATOM 787 C PRO A 49 6.718 -8.707 5.825 1.00 0.00 C ATOM 788 O PRO A 49 6.823 -7.827 4.972 1.00 0.00 O ATOM 789 CB PRO A 49 5.059 -8.457 7.709 1.00 0.00 C ATOM 790 CG PRO A 49 4.219 -9.454 8.439 1.00 0.00 C ATOM 791 CD PRO A 49 4.690 -10.811 7.983 1.00 0.00 C ATOM 0 HA PRO A 49 4.670 -8.776 5.558 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.984 -8.249 8.247 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.536 -7.508 7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.333 -9.344 9.517 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.162 -9.312 8.214 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.485 -11.198 8.621 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.884 -11.544 7.997 1.00 0.00 H new ATOM 799 N ASP A 50 7.759 -9.382 6.283 1.00 0.00 N ATOM 800 CA ASP A 50 9.119 -9.040 5.878 1.00 0.00 C ATOM 801 C ASP A 50 9.448 -9.670 4.525 1.00 0.00 C ATOM 802 O ASP A 50 10.528 -9.468 3.967 1.00 0.00 O ATOM 803 CB ASP A 50 10.125 -9.474 6.949 1.00 0.00 C ATOM 804 CG ASP A 50 9.904 -8.753 8.265 1.00 0.00 C ATOM 805 OD1 ASP A 50 10.365 -7.599 8.401 1.00 0.00 O ATOM 806 OD2 ASP A 50 9.265 -9.330 9.171 1.00 0.00 O ATOM 0 H ASP A 50 7.693 -10.166 6.932 1.00 0.00 H new ATOM 0 HA ASP A 50 9.189 -7.957 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.044 -10.549 7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.137 -9.279 6.595 1.00 0.00 H new ATOM 811 N GLU A 51 8.494 -10.437 4.017 1.00 0.00 N ATOM 812 CA GLU A 51 8.554 -11.006 2.677 1.00 0.00 C ATOM 813 C GLU A 51 7.215 -10.830 1.979 1.00 0.00 C ATOM 814 O GLU A 51 6.823 -11.646 1.141 1.00 0.00 O ATOM 815 CB GLU A 51 8.918 -12.491 2.700 1.00 0.00 C ATOM 816 CG GLU A 51 10.407 -12.767 2.731 1.00 0.00 C ATOM 817 CD GLU A 51 10.722 -14.181 2.307 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.825 -14.424 1.085 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.854 -15.059 3.189 1.00 0.00 O ATOM 0 H GLU A 51 7.647 -10.685 4.529 1.00 0.00 H new ATOM 0 HA GLU A 51 9.335 -10.475 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.456 -12.953 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.489 -12.972 1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.921 -12.067 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.788 -12.596 3.738 1.00 0.00 H new ATOM 826 N ILE A 52 6.512 -9.777 2.352 1.00 0.00 N ATOM 827 CA ILE A 52 5.164 -9.546 1.869 1.00 0.00 C ATOM 828 C ILE A 52 5.126 -9.376 0.350 1.00 0.00 C ATOM 829 O ILE A 52 6.046 -8.822 -0.258 1.00 0.00 O ATOM 830 CB ILE A 52 4.551 -8.293 2.526 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.104 -8.114 2.091 1.00 0.00 C ATOM 832 CG2 ILE A 52 5.329 -7.073 2.118 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.192 -9.258 2.457 1.00 0.00 C ATOM 0 H ILE A 52 6.856 -9.063 2.994 1.00 0.00 H new ATOM 0 HA ILE A 52 4.580 -10.426 2.139 1.00 0.00 H new ATOM 0 HB ILE A 52 4.591 -8.421 3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.715 -7.199 2.538 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.078 -7.977 1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.892 -6.190 2.585 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.365 -7.178 2.439 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.294 -6.965 1.034 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.182 -9.044 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.551 -10.174 1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.183 -9.384 3.540 1.00 0.00 H new ATOM 845 N GLU A 53 4.068 -9.884 -0.256 1.00 0.00 N ATOM 846 CA GLU A 53 3.782 -9.617 -1.644 1.00 0.00 C ATOM 847 C GLU A 53 2.310 -9.231 -1.765 1.00 0.00 C ATOM 848 O GLU A 53 1.433 -10.093 -1.820 1.00 0.00 O ATOM 849 CB GLU A 53 4.081 -10.855 -2.487 1.00 0.00 C ATOM 850 CG GLU A 53 4.597 -10.540 -3.873 1.00 0.00 C ATOM 851 CD GLU A 53 4.563 -11.751 -4.775 1.00 0.00 C ATOM 852 OE1 GLU A 53 5.565 -12.488 -4.828 1.00 0.00 O ATOM 853 OE2 GLU A 53 3.524 -11.970 -5.436 1.00 0.00 O ATOM 0 H GLU A 53 3.388 -10.491 0.203 1.00 0.00 H new ATOM 0 HA GLU A 53 4.408 -8.802 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.816 -11.468 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.173 -11.451 -2.574 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.996 -9.743 -4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.619 -10.167 -3.804 1.00 0.00 H new ATOM 860 N ILE A 54 2.044 -7.933 -1.791 1.00 0.00 N ATOM 861 CA ILE A 54 0.678 -7.431 -1.834 1.00 0.00 C ATOM 862 C ILE A 54 0.189 -7.378 -3.273 1.00 0.00 C ATOM 863 O ILE A 54 0.942 -7.026 -4.180 1.00 0.00 O ATOM 864 CB ILE A 54 0.561 -6.022 -1.196 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.036 -6.047 0.261 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.881 -5.525 -1.271 1.00 0.00 C ATOM 867 CD1 ILE A 54 1.258 -4.674 0.859 1.00 0.00 C ATOM 0 H ILE A 54 2.759 -7.206 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 54 0.058 -8.116 -1.255 1.00 0.00 H new ATOM 0 HB ILE A 54 1.199 -5.338 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.300 -6.580 0.863 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.966 -6.613 0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.949 -4.535 -0.820 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.193 -5.470 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.532 -6.214 -0.733 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.593 -4.777 1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.016 -4.144 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.325 -4.111 0.834 1.00 0.00 H new ATOM 879 N ASP A 55 -1.060 -7.748 -3.481 1.00 0.00 N ATOM 880 CA ASP A 55 -1.651 -7.707 -4.808 1.00 0.00 C ATOM 881 C ASP A 55 -2.655 -6.568 -4.882 1.00 0.00 C ATOM 882 O ASP A 55 -3.778 -6.684 -4.378 1.00 0.00 O ATOM 883 CB ASP A 55 -2.345 -9.031 -5.134 1.00 0.00 C ATOM 884 CG ASP A 55 -2.674 -9.165 -6.602 1.00 0.00 C ATOM 885 OD1 ASP A 55 -2.164 -10.110 -7.244 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.437 -8.330 -7.124 1.00 0.00 O ATOM 0 H ASP A 55 -1.687 -8.081 -2.748 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.858 -7.545 -5.538 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.703 -9.858 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.262 -9.110 -4.551 1.00 0.00 H new ATOM 891 N PHE A 56 -2.258 -5.475 -5.518 1.00 0.00 N ATOM 892 CA PHE A 56 -3.087 -4.277 -5.564 1.00 0.00 C ATOM 893 C PHE A 56 -4.366 -4.514 -6.360 1.00 0.00 C ATOM 894 O PHE A 56 -5.313 -3.733 -6.282 1.00 0.00 O ATOM 895 CB PHE A 56 -2.310 -3.103 -6.158 1.00 0.00 C ATOM 896 CG PHE A 56 -2.513 -1.854 -5.362 1.00 0.00 C ATOM 897 CD1 PHE A 56 -1.966 -1.750 -4.108 1.00 0.00 C ATOM 898 CD2 PHE A 56 -3.276 -0.807 -5.837 1.00 0.00 C ATOM 899 CE1 PHE A 56 -2.170 -0.636 -3.346 1.00 0.00 C ATOM 900 CE2 PHE A 56 -3.478 0.323 -5.064 1.00 0.00 C ATOM 901 CZ PHE A 56 -2.919 0.390 -3.818 1.00 0.00 C ATOM 0 H PHE A 56 -1.368 -5.392 -6.009 1.00 0.00 H new ATOM 0 HA PHE A 56 -3.365 -4.033 -4.539 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -1.248 -3.347 -6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.630 -2.936 -7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.366 -2.560 -3.719 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.719 -0.870 -6.820 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.732 -0.572 -2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.071 1.143 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.075 1.266 -3.206 1.00 0.00 H new ATOM 911 N GLU A 57 -4.395 -5.607 -7.100 1.00 0.00 N ATOM 912 CA GLU A 57 -5.521 -5.921 -7.952 1.00 0.00 C ATOM 913 C GLU A 57 -6.543 -6.783 -7.228 1.00 0.00 C ATOM 914 O GLU A 57 -7.639 -7.019 -7.734 1.00 0.00 O ATOM 915 CB GLU A 57 -5.026 -6.621 -9.213 1.00 0.00 C ATOM 916 CG GLU A 57 -4.151 -5.733 -10.073 1.00 0.00 C ATOM 917 CD GLU A 57 -4.928 -4.600 -10.708 1.00 0.00 C ATOM 918 OE1 GLU A 57 -5.206 -3.598 -10.018 1.00 0.00 O ATOM 919 OE2 GLU A 57 -5.266 -4.706 -11.906 1.00 0.00 O ATOM 0 H GLU A 57 -3.643 -6.296 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.017 -4.990 -8.226 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.466 -7.513 -8.932 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.883 -6.955 -9.798 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.346 -5.322 -9.464 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.685 -6.333 -10.854 1.00 0.00 H new ATOM 926 N THR A 58 -6.191 -7.239 -6.040 1.00 0.00 N ATOM 927 CA THR A 58 -7.091 -8.068 -5.265 1.00 0.00 C ATOM 928 C THR A 58 -7.708 -7.271 -4.131 1.00 0.00 C ATOM 929 O THR A 58 -8.791 -7.595 -3.648 1.00 0.00 O ATOM 930 CB THR A 58 -6.361 -9.296 -4.698 1.00 0.00 C ATOM 931 OG1 THR A 58 -5.281 -8.888 -3.848 1.00 0.00 O ATOM 932 CG2 THR A 58 -5.819 -10.149 -5.827 1.00 0.00 C ATOM 0 H THR A 58 -5.293 -7.050 -5.594 1.00 0.00 H new ATOM 0 HA THR A 58 -7.882 -8.411 -5.932 1.00 0.00 H new ATOM 0 HB THR A 58 -7.073 -9.879 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.940 -8.019 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.304 -11.016 -5.413 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.642 -10.483 -6.458 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.120 -9.562 -6.423 1.00 0.00 H new ATOM 940 N LEU A 59 -7.018 -6.209 -3.731 1.00 0.00 N ATOM 941 CA LEU A 59 -7.461 -5.386 -2.614 1.00 0.00 C ATOM 942 C LEU A 59 -8.791 -4.730 -2.932 1.00 0.00 C ATOM 943 O LEU A 59 -9.003 -4.243 -4.044 1.00 0.00 O ATOM 944 CB LEU A 59 -6.435 -4.300 -2.306 1.00 0.00 C ATOM 945 CG LEU A 59 -4.983 -4.767 -2.258 1.00 0.00 C ATOM 946 CD1 LEU A 59 -4.056 -3.599 -1.983 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.808 -5.835 -1.200 1.00 0.00 C ATOM 0 H LEU A 59 -6.149 -5.898 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.573 -6.035 -1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.522 -3.517 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.686 -3.848 -1.346 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.726 -5.191 -3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.025 -3.952 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.162 -2.856 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.314 -3.148 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.767 -6.158 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.083 -5.431 -0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.447 -6.686 -1.433 1.00 0.00 H new ATOM 959 N LYS A 60 -9.683 -4.736 -1.962 1.00 0.00 N ATOM 960 CA LYS A 60 -10.967 -4.079 -2.107 1.00 0.00 C ATOM 961 C LYS A 60 -10.775 -2.558 -2.026 1.00 0.00 C ATOM 962 O LYS A 60 -9.896 -2.098 -1.295 1.00 0.00 O ATOM 963 CB LYS A 60 -11.927 -4.596 -1.024 1.00 0.00 C ATOM 964 CG LYS A 60 -11.661 -4.057 0.372 1.00 0.00 C ATOM 965 CD LYS A 60 -12.643 -4.633 1.384 1.00 0.00 C ATOM 966 CE LYS A 60 -12.163 -5.950 1.997 1.00 0.00 C ATOM 967 NZ LYS A 60 -11.545 -6.865 1.000 1.00 0.00 N ATOM 0 H LYS A 60 -9.541 -5.191 -1.060 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.405 -4.307 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.947 -4.339 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.869 -5.684 -0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.642 -4.302 0.671 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.738 -2.970 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.805 -3.906 2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.605 -4.794 0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.439 -5.736 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.007 -6.453 2.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.240 -7.739 1.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.241 -7.096 0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.722 -6.401 0.566 1.00 0.00 H new ATOM 981 N PRO A 61 -11.549 -1.768 -2.815 1.00 0.00 N ATOM 982 CA PRO A 61 -11.456 -0.301 -2.858 1.00 0.00 C ATOM 983 C PRO A 61 -11.084 0.353 -1.532 1.00 0.00 C ATOM 984 O PRO A 61 -10.187 1.197 -1.483 1.00 0.00 O ATOM 985 CB PRO A 61 -12.868 0.105 -3.254 1.00 0.00 C ATOM 986 CG PRO A 61 -13.353 -0.994 -4.131 1.00 0.00 C ATOM 987 CD PRO A 61 -12.566 -2.242 -3.778 1.00 0.00 C ATOM 0 HA PRO A 61 -10.664 0.019 -3.535 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.506 0.221 -2.378 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.871 1.060 -3.779 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -14.420 -1.159 -3.983 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -13.213 -0.737 -5.181 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -13.207 -3.006 -3.337 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -12.104 -2.684 -4.660 1.00 0.00 H new ATOM 995 N SER A 62 -11.761 -0.044 -0.464 1.00 0.00 N ATOM 996 CA SER A 62 -11.563 0.581 0.835 1.00 0.00 C ATOM 997 C SER A 62 -10.138 0.382 1.348 1.00 0.00 C ATOM 998 O SER A 62 -9.540 1.312 1.880 1.00 0.00 O ATOM 999 CB SER A 62 -12.588 0.054 1.835 1.00 0.00 C ATOM 1000 OG SER A 62 -12.631 -1.361 1.836 1.00 0.00 O ATOM 0 H SER A 62 -12.451 -0.795 -0.472 1.00 0.00 H new ATOM 0 HA SER A 62 -11.711 1.655 0.718 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.341 0.412 2.834 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.574 0.449 1.590 1.00 0.00 H new ATOM 0 HG SER A 62 -13.273 -1.668 2.510 1.00 0.00 H new ATOM 1006 N THR A 63 -9.579 -0.809 1.152 1.00 0.00 N ATOM 1007 CA THR A 63 -8.208 -1.076 1.576 1.00 0.00 C ATOM 1008 C THR A 63 -7.280 -0.133 0.843 1.00 0.00 C ATOM 1009 O THR A 63 -6.502 0.582 1.459 1.00 0.00 O ATOM 1010 CB THR A 63 -7.775 -2.534 1.290 1.00 0.00 C ATOM 1011 OG1 THR A 63 -8.850 -3.432 1.589 1.00 0.00 O ATOM 1012 CG2 THR A 63 -6.556 -2.921 2.113 1.00 0.00 C ATOM 0 H THR A 63 -10.049 -1.597 0.707 1.00 0.00 H new ATOM 0 HA THR A 63 -8.156 -0.924 2.654 1.00 0.00 H new ATOM 0 HB THR A 63 -7.516 -2.603 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.704 -4.283 1.126 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.278 -3.951 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.726 -2.259 1.867 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.790 -2.831 3.174 1.00 0.00 H new ATOM 1020 N LEU A 64 -7.430 -0.096 -0.479 1.00 0.00 N ATOM 1021 CA LEU A 64 -6.601 0.737 -1.342 1.00 0.00 C ATOM 1022 C LEU A 64 -6.697 2.200 -0.935 1.00 0.00 C ATOM 1023 O LEU A 64 -5.712 2.931 -0.961 1.00 0.00 O ATOM 1024 CB LEU A 64 -7.042 0.563 -2.798 1.00 0.00 C ATOM 1025 CG LEU A 64 -7.132 -0.881 -3.248 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -8.323 -1.048 -4.146 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.882 -1.286 -3.985 1.00 0.00 C ATOM 0 H LEU A 64 -8.130 -0.643 -0.980 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.562 0.425 -1.239 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.015 1.035 -2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.341 1.091 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.238 -1.518 -2.370 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.391 -2.086 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.229 -0.778 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.216 -0.401 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.966 -2.326 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.754 -0.651 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.020 -1.175 -3.328 1.00 0.00 H new ATOM 1039 N ARG A 65 -7.885 2.619 -0.539 1.00 0.00 N ATOM 1040 CA ARG A 65 -8.091 3.995 -0.128 1.00 0.00 C ATOM 1041 C ARG A 65 -7.562 4.238 1.284 1.00 0.00 C ATOM 1042 O ARG A 65 -7.176 5.359 1.617 1.00 0.00 O ATOM 1043 CB ARG A 65 -9.566 4.383 -0.238 1.00 0.00 C ATOM 1044 CG ARG A 65 -10.094 4.354 -1.671 1.00 0.00 C ATOM 1045 CD ARG A 65 -9.195 5.138 -2.619 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.859 5.449 -3.885 1.00 0.00 N ATOM 1047 CZ ARG A 65 -9.412 6.354 -4.760 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -8.418 7.175 -4.438 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.986 6.467 -5.951 1.00 0.00 N ATOM 0 H ARG A 65 -8.717 2.030 -0.493 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.524 4.633 -0.806 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.160 3.704 0.374 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -9.703 5.384 0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -10.168 3.321 -2.011 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -11.101 4.771 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.884 6.065 -2.137 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -8.291 4.563 -2.817 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.715 4.944 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -7.988 7.118 -3.515 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.085 7.862 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.769 5.863 -6.199 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -9.644 7.158 -6.618 1.00 0.00 H new ATOM 1063 N GLU A 66 -7.519 3.195 2.112 1.00 0.00 N ATOM 1064 CA GLU A 66 -6.893 3.313 3.426 1.00 0.00 C ATOM 1065 C GLU A 66 -5.395 3.458 3.244 1.00 0.00 C ATOM 1066 O GLU A 66 -4.756 4.307 3.866 1.00 0.00 O ATOM 1067 CB GLU A 66 -7.181 2.087 4.305 1.00 0.00 C ATOM 1068 CG GLU A 66 -8.329 2.261 5.296 1.00 0.00 C ATOM 1069 CD GLU A 66 -9.612 2.774 4.679 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -9.713 4.002 4.448 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -10.542 1.966 4.473 1.00 0.00 O ATOM 0 H GLU A 66 -7.903 2.274 1.901 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.308 4.188 3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.405 1.239 3.658 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.277 1.835 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.528 1.303 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.015 2.950 6.080 1.00 0.00 H new ATOM 1078 N LEU A 67 -4.856 2.623 2.363 1.00 0.00 N ATOM 1079 CA LEU A 67 -3.437 2.623 2.052 1.00 0.00 C ATOM 1080 C LEU A 67 -2.991 4.024 1.608 1.00 0.00 C ATOM 1081 O LEU A 67 -1.952 4.533 2.033 1.00 0.00 O ATOM 1082 CB LEU A 67 -3.154 1.616 0.931 1.00 0.00 C ATOM 1083 CG LEU A 67 -3.800 0.260 1.124 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -3.413 -0.685 0.006 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -3.434 -0.309 2.481 1.00 0.00 C ATOM 0 H LEU A 67 -5.393 1.928 1.845 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.881 2.340 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.499 2.037 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.076 1.481 0.845 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.883 0.382 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.889 -1.652 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.741 -0.273 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.330 -0.811 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.905 -1.284 2.606 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.352 -0.418 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.782 0.365 3.264 1.00 0.00 H new ATOM 1097 N GLU A 68 -3.818 4.639 0.755 1.00 0.00 N ATOM 1098 CA GLU A 68 -3.538 5.947 0.170 1.00 0.00 C ATOM 1099 C GLU A 68 -3.478 7.062 1.217 1.00 0.00 C ATOM 1100 O GLU A 68 -2.437 7.699 1.395 1.00 0.00 O ATOM 1101 CB GLU A 68 -4.612 6.298 -0.853 1.00 0.00 C ATOM 1102 CG GLU A 68 -4.355 7.624 -1.540 1.00 0.00 C ATOM 1103 CD GLU A 68 -5.347 7.947 -2.639 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -6.573 7.894 -2.379 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -4.910 8.286 -3.758 1.00 0.00 O ATOM 0 H GLU A 68 -4.705 4.237 0.452 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.558 5.875 -0.303 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.665 5.509 -1.603 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.582 6.332 -0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.381 8.419 -0.795 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.350 7.615 -1.962 1.00 0.00 H new ATOM 1112 N ARG A 69 -4.613 7.298 1.890 1.00 0.00 N ATOM 1113 CA ARG A 69 -4.731 8.339 2.928 1.00 0.00 C ATOM 1114 C ARG A 69 -3.652 8.167 3.971 1.00 0.00 C ATOM 1115 O ARG A 69 -3.226 9.121 4.628 1.00 0.00 O ATOM 1116 CB ARG A 69 -6.103 8.244 3.583 1.00 0.00 C ATOM 1117 CG ARG A 69 -6.326 9.268 4.672 1.00 0.00 C ATOM 1118 CD ARG A 69 -7.238 8.726 5.757 1.00 0.00 C ATOM 1119 NE ARG A 69 -6.737 7.470 6.318 1.00 0.00 N ATOM 1120 CZ ARG A 69 -7.300 6.277 6.113 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -8.389 6.168 5.356 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -6.773 5.194 6.672 1.00 0.00 N ATOM 0 H ARG A 69 -5.475 6.776 1.733 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.613 9.319 2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.870 8.366 2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -6.227 7.246 4.003 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -5.369 9.554 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -6.763 10.170 4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -7.334 9.465 6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.235 8.567 5.347 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.903 7.509 6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.798 6.999 4.929 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.814 5.254 5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.941 5.275 7.256 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.201 4.281 6.518 1.00 0.00 H new ATOM 1136 N TYR A 70 -3.184 6.952 4.085 1.00 0.00 N ATOM 1137 CA TYR A 70 -2.169 6.643 5.050 1.00 0.00 C ATOM 1138 C TYR A 70 -0.800 7.129 4.574 1.00 0.00 C ATOM 1139 O TYR A 70 -0.159 7.930 5.245 1.00 0.00 O ATOM 1140 CB TYR A 70 -2.124 5.147 5.326 1.00 0.00 C ATOM 1141 CG TYR A 70 -0.814 4.744 5.890 1.00 0.00 C ATOM 1142 CD1 TYR A 70 -0.005 3.919 5.168 1.00 0.00 C ATOM 1143 CD2 TYR A 70 -0.360 5.247 7.103 1.00 0.00 C ATOM 1144 CE1 TYR A 70 1.233 3.588 5.612 1.00 0.00 C ATOM 1145 CE2 TYR A 70 0.885 4.912 7.576 1.00 0.00 C ATOM 1146 CZ TYR A 70 1.686 4.086 6.826 1.00 0.00 C ATOM 1147 OH TYR A 70 2.938 3.771 7.287 1.00 0.00 O ATOM 0 H TYR A 70 -3.492 6.161 3.519 1.00 0.00 H new ATOM 0 HA TYR A 70 -2.420 7.161 5.976 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.920 4.879 6.021 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -2.309 4.599 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.355 3.522 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.992 5.907 7.679 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.864 2.939 5.023 1.00 0.00 H new ATOM 0 HE2 TYR A 70 1.230 5.293 8.526 1.00 0.00 H new ATOM 0 HH TYR A 70 3.267 2.974 6.821 1.00 0.00 H new ATOM 1157 N VAL A 71 -0.345 6.649 3.426 1.00 0.00 N ATOM 1158 CA VAL A 71 0.993 6.995 2.958 1.00 0.00 C ATOM 1159 C VAL A 71 1.096 8.460 2.635 1.00 0.00 C ATOM 1160 O VAL A 71 2.128 9.071 2.873 1.00 0.00 O ATOM 1161 CB VAL A 71 1.428 6.184 1.737 1.00 0.00 C ATOM 1162 CG1 VAL A 71 1.424 4.719 2.068 1.00 0.00 C ATOM 1163 CG2 VAL A 71 0.526 6.435 0.548 1.00 0.00 C ATOM 0 H VAL A 71 -0.870 6.029 2.809 1.00 0.00 H new ATOM 0 HA VAL A 71 1.664 6.749 3.781 1.00 0.00 H new ATOM 0 HB VAL A 71 2.436 6.503 1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.735 4.148 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.115 4.530 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.419 4.415 2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.868 5.841 -0.300 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.496 6.153 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.556 7.492 0.285 1.00 0.00 H new ATOM 1173 N THR A 72 0.025 9.033 2.126 1.00 0.00 N ATOM 1174 CA THR A 72 0.026 10.442 1.832 1.00 0.00 C ATOM 1175 C THR A 72 0.201 11.218 3.140 1.00 0.00 C ATOM 1176 O THR A 72 0.765 12.300 3.150 1.00 0.00 O ATOM 1177 CB THR A 72 -1.260 10.871 1.082 1.00 0.00 C ATOM 1178 OG1 THR A 72 -1.080 12.153 0.468 1.00 0.00 O ATOM 1179 CG2 THR A 72 -2.455 10.935 2.014 1.00 0.00 C ATOM 0 H THR A 72 -0.846 8.547 1.911 1.00 0.00 H new ATOM 0 HA THR A 72 0.858 10.669 1.165 1.00 0.00 H new ATOM 0 HB THR A 72 -1.451 10.118 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.901 12.408 -0.003 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.338 11.239 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.626 9.953 2.455 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.261 11.659 2.805 1.00 0.00 H new ATOM 1187 N SER A 73 -0.211 10.618 4.259 1.00 0.00 N ATOM 1188 CA SER A 73 -0.056 11.257 5.554 1.00 0.00 C ATOM 1189 C SER A 73 1.408 11.202 5.998 1.00 0.00 C ATOM 1190 O SER A 73 1.871 12.034 6.780 1.00 0.00 O ATOM 1191 CB SER A 73 -0.957 10.582 6.591 1.00 0.00 C ATOM 1192 OG SER A 73 -0.298 9.512 7.252 1.00 0.00 O ATOM 0 H SER A 73 -0.650 9.698 4.288 1.00 0.00 H new ATOM 0 HA SER A 73 -0.353 12.302 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.279 11.319 7.326 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.856 10.207 6.101 1.00 0.00 H new ATOM 0 HG SER A 73 -0.023 8.840 6.593 1.00 0.00 H new ATOM 1198 N CYS A 74 2.128 10.210 5.484 1.00 0.00 N ATOM 1199 CA CYS A 74 3.535 10.019 5.808 1.00 0.00 C ATOM 1200 C CYS A 74 4.426 10.794 4.846 1.00 0.00 C ATOM 1201 O CYS A 74 5.449 11.355 5.230 1.00 0.00 O ATOM 1202 CB CYS A 74 3.874 8.531 5.750 1.00 0.00 C ATOM 1203 SG CYS A 74 5.581 8.127 6.196 1.00 0.00 S ATOM 0 H CYS A 74 1.753 9.519 4.834 1.00 0.00 H new ATOM 0 HA CYS A 74 3.715 10.396 6.815 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.201 7.993 6.417 1.00 0.00 H new ATOM 0 HB3 CYS A 74 3.681 8.167 4.741 1.00 0.00 H new ATOM 0 HG CYS A 74 6.332 9.176 6.033 1.00 0.00 H new ATOM 1209 N LEU A 75 4.027 10.800 3.592 1.00 0.00 N ATOM 1210 CA LEU A 75 4.785 11.467 2.539 1.00 0.00 C ATOM 1211 C LEU A 75 4.555 12.979 2.534 1.00 0.00 C ATOM 1212 O LEU A 75 5.507 13.745 2.367 1.00 0.00 O ATOM 1213 CB LEU A 75 4.420 10.846 1.193 1.00 0.00 C ATOM 1214 CG LEU A 75 4.474 9.326 1.199 1.00 0.00 C ATOM 1215 CD1 LEU A 75 3.859 8.759 -0.070 1.00 0.00 C ATOM 1216 CD2 LEU A 75 5.902 8.834 1.371 1.00 0.00 C ATOM 0 H LEU A 75 3.173 10.347 3.268 1.00 0.00 H new ATOM 0 HA LEU A 75 5.848 11.321 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.416 11.166 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.100 11.224 0.430 1.00 0.00 H new ATOM 0 HG LEU A 75 3.890 8.972 2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.909 7.670 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.818 9.073 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.409 9.126 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.914 7.744 1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.515 9.203 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.302 9.202 2.316 1.00 0.00 H new ATOM 1228 N ARG A 76 3.305 13.419 2.708 1.00 0.00 N ATOM 1229 CA ARG A 76 3.020 14.847 2.800 1.00 0.00 C ATOM 1230 C ARG A 76 3.687 15.427 4.037 1.00 0.00 C ATOM 1231 O ARG A 76 4.309 16.492 3.990 1.00 0.00 O ATOM 1232 CB ARG A 76 1.518 15.141 2.850 1.00 0.00 C ATOM 1233 CG ARG A 76 0.751 14.743 1.598 1.00 0.00 C ATOM 1234 CD ARG A 76 -0.643 15.344 1.603 1.00 0.00 C ATOM 1235 NE ARG A 76 -0.603 16.803 1.676 1.00 0.00 N ATOM 1236 CZ ARG A 76 -1.586 17.554 2.167 1.00 0.00 C ATOM 1237 NH1 ARG A 76 -2.701 16.996 2.622 1.00 0.00 N ATOM 1238 NH2 ARG A 76 -1.446 18.870 2.205 1.00 0.00 N ATOM 0 H ARG A 76 2.488 12.814 2.787 1.00 0.00 H new ATOM 0 HA ARG A 76 3.419 15.313 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.088 14.619 3.705 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.376 16.208 3.023 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.292 15.078 0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.683 13.657 1.538 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.174 15.039 0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.205 14.953 2.451 1.00 0.00 H new ATOM 0 HE ARG A 76 0.231 17.276 1.329 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.811 15.982 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.448 17.581 2.996 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.589 19.302 1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.195 19.452 2.580 1.00 0.00 H new ATOM 1252 N LYS A 77 3.556 14.712 5.143 1.00 0.00 N ATOM 1253 CA LYS A 77 4.194 15.097 6.386 1.00 0.00 C ATOM 1254 C LYS A 77 5.204 14.043 6.810 1.00 0.00 C ATOM 1255 O LYS A 77 4.854 13.071 7.482 1.00 0.00 O ATOM 1256 CB LYS A 77 3.156 15.324 7.478 1.00 0.00 C ATOM 1257 CG LYS A 77 2.473 16.669 7.357 1.00 0.00 C ATOM 1258 CD LYS A 77 1.340 16.822 8.355 1.00 0.00 C ATOM 1259 CE LYS A 77 0.829 18.253 8.396 1.00 0.00 C ATOM 1260 NZ LYS A 77 1.891 19.210 8.812 1.00 0.00 N ATOM 0 H LYS A 77 3.007 13.854 5.202 1.00 0.00 H new ATOM 0 HA LYS A 77 4.724 16.036 6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.406 14.534 7.432 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.637 15.251 8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.204 17.462 7.514 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.084 16.789 6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.524 16.150 8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.684 16.528 9.347 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.454 18.533 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.011 18.319 9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.452 20.076 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.480 18.775 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.484 19.448 7.992 1.00 0.00 H new ATOM 1274 N LYS A 78 6.457 14.252 6.411 1.00 0.00 N ATOM 1275 CA LYS A 78 7.534 13.300 6.662 1.00 0.00 C ATOM 1276 C LYS A 78 7.659 12.997 8.153 1.00 0.00 C ATOM 1277 O LYS A 78 8.036 11.887 8.534 1.00 0.00 O ATOM 1278 CB LYS A 78 8.848 13.869 6.120 1.00 0.00 C ATOM 1279 CG LYS A 78 10.008 12.888 6.142 1.00 0.00 C ATOM 1280 CD LYS A 78 9.752 11.688 5.242 1.00 0.00 C ATOM 1281 CE LYS A 78 10.968 10.778 5.164 1.00 0.00 C ATOM 1282 NZ LYS A 78 11.353 10.238 6.495 1.00 0.00 N ATOM 0 H LYS A 78 6.753 15.087 5.905 1.00 0.00 H new ATOM 0 HA LYS A 78 7.305 12.365 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.690 14.205 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.119 14.748 6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.918 13.395 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.176 12.547 7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.899 11.125 5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.489 12.032 4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.758 9.951 4.486 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.807 11.331 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.097 9.521 6.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.709 11.011 7.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.523 9.804 6.947 1.00 0.00 H new ATOM 1296 N ARG A 79 7.320 13.981 8.983 1.00 0.00 N ATOM 1297 CA ARG A 79 7.334 13.822 10.435 1.00 0.00 C ATOM 1298 C ARG A 79 8.750 13.564 10.938 1.00 0.00 C ATOM 1299 O ARG A 79 9.148 12.421 11.192 1.00 0.00 O ATOM 1300 CB ARG A 79 6.392 12.698 10.871 1.00 0.00 C ATOM 1301 CG ARG A 79 6.218 12.579 12.379 1.00 0.00 C ATOM 1302 CD ARG A 79 5.436 13.757 12.945 1.00 0.00 C ATOM 1303 NE ARG A 79 4.073 13.812 12.413 1.00 0.00 N ATOM 1304 CZ ARG A 79 3.429 14.942 12.122 1.00 0.00 C ATOM 1305 NH1 ARG A 79 4.024 16.118 12.292 1.00 0.00 N ATOM 1306 NH2 ARG A 79 2.186 14.893 11.660 1.00 0.00 N ATOM 0 H ARG A 79 7.029 14.907 8.670 1.00 0.00 H new ATOM 0 HA ARG A 79 6.979 14.752 10.879 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.415 12.861 10.416 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.770 11.752 10.484 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.699 11.650 12.614 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.197 12.527 12.856 1.00 0.00 H new ATOM 0 HD2 ARG A 79 5.399 13.680 14.032 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.956 14.685 12.709 1.00 0.00 H new ATOM 0 HE ARG A 79 3.586 12.930 12.255 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.979 16.160 12.647 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.525 16.979 12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 79 1.726 13.992 11.528 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.691 15.756 11.436 1.00 0.00 H new ATOM 1320 N LYS A 80 9.513 14.637 11.047 1.00 0.00 N ATOM 1321 CA LYS A 80 10.861 14.573 11.584 1.00 0.00 C ATOM 1322 C LYS A 80 10.816 14.270 13.078 1.00 0.00 C ATOM 1323 O LYS A 80 9.918 14.733 13.785 1.00 0.00 O ATOM 1324 CB LYS A 80 11.601 15.890 11.323 1.00 0.00 C ATOM 1325 CG LYS A 80 10.903 17.118 11.887 1.00 0.00 C ATOM 1326 CD LYS A 80 11.622 18.396 11.491 1.00 0.00 C ATOM 1327 CE LYS A 80 10.877 19.629 11.975 1.00 0.00 C ATOM 1328 NZ LYS A 80 11.561 20.885 11.571 1.00 0.00 N ATOM 0 H LYS A 80 9.218 15.573 10.768 1.00 0.00 H new ATOM 0 HA LYS A 80 11.402 13.770 11.083 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.600 15.824 11.753 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.725 16.018 10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.875 17.151 11.527 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.858 17.046 12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.629 18.392 11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.726 18.435 10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.864 19.622 11.573 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.789 19.597 13.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.021 21.702 11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.519 20.904 11.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.622 20.929 10.534 1.00 0.00 H new ATOM 1342 N PRO A 81 11.772 13.476 13.575 1.00 0.00 N ATOM 1343 CA PRO A 81 11.817 13.092 14.986 1.00 0.00 C ATOM 1344 C PRO A 81 12.288 14.239 15.876 1.00 0.00 C ATOM 1345 O PRO A 81 13.485 14.407 16.125 1.00 0.00 O ATOM 1346 CB PRO A 81 12.817 11.936 15.005 1.00 0.00 C ATOM 1347 CG PRO A 81 13.714 12.180 13.839 1.00 0.00 C ATOM 1348 CD PRO A 81 12.891 12.897 12.803 1.00 0.00 C ATOM 0 HA PRO A 81 10.835 12.821 15.375 1.00 0.00 H new ATOM 0 HB2 PRO A 81 13.380 11.917 15.938 1.00 0.00 H new ATOM 0 HB3 PRO A 81 12.310 10.975 14.918 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.575 12.780 14.132 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.100 11.240 13.444 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.470 13.670 12.298 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.533 12.213 12.033 1.00 0.00 H new ATOM 1356 N GLN A 82 11.341 15.043 16.332 1.00 0.00 N ATOM 1357 CA GLN A 82 11.647 16.159 17.209 1.00 0.00 C ATOM 1358 C GLN A 82 11.618 15.708 18.661 1.00 0.00 C ATOM 1359 O GLN A 82 10.568 15.711 19.304 1.00 0.00 O ATOM 1360 CB GLN A 82 10.656 17.306 16.997 1.00 0.00 C ATOM 1361 CG GLN A 82 10.632 17.836 15.574 1.00 0.00 C ATOM 1362 CD GLN A 82 9.791 19.088 15.436 1.00 0.00 C ATOM 1363 OE1 GLN A 82 10.290 20.203 15.577 1.00 0.00 O ATOM 1364 NE2 GLN A 82 8.510 18.916 15.160 1.00 0.00 N ATOM 0 H GLN A 82 10.351 14.942 16.108 1.00 0.00 H new ATOM 0 HA GLN A 82 12.647 16.519 16.967 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.656 16.965 17.265 1.00 0.00 H new ATOM 0 HB3 GLN A 82 10.907 18.122 17.675 1.00 0.00 H new ATOM 0 HG2 GLN A 82 11.651 18.049 15.252 1.00 0.00 H new ATOM 0 HG3 GLN A 82 10.242 17.065 14.909 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.134 17.974 15.050 1.00 0.00 H new ATOM 0 HE22 GLN A 82 7.898 19.725 15.056 1.00 0.00 H new ATOM 1373 N ALA A 83 12.773 15.304 19.160 1.00 0.00 N ATOM 1374 CA ALA A 83 12.898 14.869 20.543 1.00 0.00 C ATOM 1375 C ALA A 83 12.935 16.082 21.457 1.00 0.00 C ATOM 1376 O ALA A 83 13.881 16.886 21.332 1.00 0.00 O ATOM 1377 CB ALA A 83 14.146 14.015 20.733 1.00 0.00 C ATOM 1378 OXT ALA A 83 12.014 16.237 22.284 1.00 0.00 O ATOM 0 H ALA A 83 13.642 15.268 18.627 1.00 0.00 H new ATOM 0 HA ALA A 83 12.034 14.256 20.799 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.218 13.702 21.775 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.085 13.135 20.093 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.029 14.597 20.468 1.00 0.00 H new TER 1384 ALA A 83 ATOM 1385 N LYS B 201 3.239 -5.928 -11.972 1.00 0.00 N ATOM 1386 CA LYS B 201 2.581 -4.687 -11.504 1.00 0.00 C ATOM 1387 C LYS B 201 3.227 -4.204 -10.211 1.00 0.00 C ATOM 1388 O LYS B 201 3.867 -3.154 -10.175 1.00 0.00 O ATOM 1389 CB LYS B 201 1.084 -4.927 -11.276 1.00 0.00 C ATOM 1390 CG LYS B 201 0.339 -5.408 -12.511 1.00 0.00 C ATOM 1391 CD LYS B 201 -1.141 -5.609 -12.223 1.00 0.00 C ATOM 1392 CE LYS B 201 -1.919 -5.991 -13.475 1.00 0.00 C ATOM 1393 NZ LYS B 201 -1.469 -7.291 -14.045 1.00 0.00 N ATOM 0 HA LYS B 201 2.703 -3.923 -12.272 1.00 0.00 H new ATOM 0 HB2 LYS B 201 0.962 -5.663 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS B 201 0.627 -4.001 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS B 201 0.459 -4.683 -13.316 1.00 0.00 H new ATOM 0 HG3 LYS B 201 0.774 -6.345 -12.858 1.00 0.00 H new ATOM 0 HD2 LYS B 201 -1.261 -6.388 -11.470 1.00 0.00 H new ATOM 0 HD3 LYS B 201 -1.556 -4.693 -11.803 1.00 0.00 H new ATOM 0 HE2 LYS B 201 -2.981 -6.050 -13.236 1.00 0.00 H new ATOM 0 HE3 LYS B 201 -1.803 -5.208 -14.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 201 -2.092 -7.559 -14.833 1.00 0.00 H new ATOM 0 HZ2 LYS B 201 -0.493 -7.199 -14.391 1.00 0.00 H new ATOM 0 HZ3 LYS B 201 -1.508 -8.025 -13.309 1.00 0.00 H new ATOM 1409 N TRP B 202 3.065 -4.986 -9.157 1.00 0.00 N ATOM 1410 CA TRP B 202 3.606 -4.652 -7.852 1.00 0.00 C ATOM 1411 C TRP B 202 3.875 -5.942 -7.089 1.00 0.00 C ATOM 1412 O TRP B 202 3.204 -6.266 -6.109 1.00 0.00 O ATOM 1413 CB TRP B 202 2.614 -3.759 -7.105 1.00 0.00 C ATOM 1414 CG TRP B 202 3.117 -3.212 -5.803 1.00 0.00 C ATOM 1415 CD1 TRP B 202 4.348 -2.680 -5.543 1.00 0.00 C ATOM 1416 CD2 TRP B 202 2.374 -3.118 -4.588 1.00 0.00 C ATOM 1417 NE1 TRP B 202 4.414 -2.263 -4.236 1.00 0.00 N ATOM 1418 CE2 TRP B 202 3.213 -2.521 -3.628 1.00 0.00 C ATOM 1419 CE3 TRP B 202 1.078 -3.482 -4.221 1.00 0.00 C ATOM 1420 CZ2 TRP B 202 2.792 -2.280 -2.322 1.00 0.00 C ATOM 1421 CZ3 TRP B 202 0.668 -3.241 -2.926 1.00 0.00 C ATOM 1422 CH2 TRP B 202 1.518 -2.647 -1.992 1.00 0.00 C ATOM 0 H TRP B 202 2.555 -5.869 -9.183 1.00 0.00 H new ATOM 0 HA TRP B 202 4.543 -4.104 -7.952 1.00 0.00 H new ATOM 0 HB2 TRP B 202 2.339 -2.925 -7.751 1.00 0.00 H new ATOM 0 HB3 TRP B 202 1.704 -4.329 -6.916 1.00 0.00 H new ATOM 0 HD1 TRP B 202 5.152 -2.599 -6.260 1.00 0.00 H new ATOM 0 HE1 TRP B 202 5.224 -1.832 -3.791 1.00 0.00 H new ATOM 0 HE3 TRP B 202 0.411 -3.942 -4.935 1.00 0.00 H new ATOM 0 HZ2 TRP B 202 3.448 -1.820 -1.598 1.00 0.00 H new ATOM 0 HZ3 TRP B 202 -0.333 -3.518 -2.629 1.00 0.00 H new ATOM 0 HH2 TRP B 202 1.161 -2.474 -0.987 1.00 0.00 H new ATOM 1433 N THR B 203 4.852 -6.686 -7.571 1.00 0.00 N ATOM 1434 CA THR B 203 5.129 -8.011 -7.058 1.00 0.00 C ATOM 1435 C THR B 203 6.274 -7.980 -6.044 1.00 0.00 C ATOM 1436 O THR B 203 6.673 -6.902 -5.591 1.00 0.00 O ATOM 1437 CB THR B 203 5.463 -8.963 -8.220 1.00 0.00 C ATOM 1438 OG1 THR B 203 4.856 -8.473 -9.422 1.00 0.00 O ATOM 1439 CG2 THR B 203 4.947 -10.368 -7.947 1.00 0.00 C ATOM 0 H THR B 203 5.472 -6.390 -8.325 1.00 0.00 H new ATOM 0 HA THR B 203 4.239 -8.375 -6.545 1.00 0.00 H new ATOM 0 HB THR B 203 6.547 -9.004 -8.326 1.00 0.00 H new ATOM 0 HG1 THR B 203 5.068 -9.076 -10.165 1.00 0.00 H new ATOM 0 HG21 THR B 203 5.198 -11.017 -8.786 1.00 0.00 H new ATOM 0 HG22 THR B 203 5.408 -10.755 -7.038 1.00 0.00 H new ATOM 0 HG23 THR B 203 3.865 -10.340 -7.821 1.00 0.00 H new ATOM 1447 N LEU B 204 6.793 -9.153 -5.685 1.00 0.00 N ATOM 1448 CA LEU B 204 7.848 -9.261 -4.683 1.00 0.00 C ATOM 1449 C LEU B 204 9.062 -8.419 -5.057 1.00 0.00 C ATOM 1450 O LEU B 204 9.805 -7.986 -4.186 1.00 0.00 O ATOM 1451 CB LEU B 204 8.280 -10.723 -4.484 1.00 0.00 C ATOM 1452 CG LEU B 204 9.118 -11.350 -5.611 1.00 0.00 C ATOM 1453 CD1 LEU B 204 9.715 -12.668 -5.147 1.00 0.00 C ATOM 1454 CD2 LEU B 204 8.285 -11.575 -6.865 1.00 0.00 C ATOM 0 H LEU B 204 6.496 -10.047 -6.077 1.00 0.00 H new ATOM 0 HA LEU B 204 7.435 -8.883 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU B 204 8.851 -10.787 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU B 204 7.384 -11.328 -4.348 1.00 0.00 H new ATOM 0 HG LEU B 204 9.920 -10.653 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU B 204 10.306 -13.103 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU B 204 10.354 -12.493 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU B 204 8.914 -13.354 -4.874 1.00 0.00 H new ATOM 0 HD21 LEU B 204 8.908 -12.019 -7.641 1.00 0.00 H new ATOM 0 HD22 LEU B 204 7.457 -12.246 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU B 204 7.892 -10.621 -7.217 1.00 0.00 H new ATOM 1466 N GLU B 205 9.247 -8.180 -6.350 1.00 0.00 N ATOM 1467 CA GLU B 205 10.395 -7.427 -6.822 1.00 0.00 C ATOM 1468 C GLU B 205 10.453 -6.053 -6.155 1.00 0.00 C ATOM 1469 O GLU B 205 11.280 -5.823 -5.266 1.00 0.00 O ATOM 1470 CB GLU B 205 10.357 -7.286 -8.343 1.00 0.00 C ATOM 1471 CG GLU B 205 11.629 -6.696 -8.922 1.00 0.00 C ATOM 1472 CD GLU B 205 11.628 -6.692 -10.433 1.00 0.00 C ATOM 1473 OE1 GLU B 205 11.831 -7.770 -11.032 1.00 0.00 O ATOM 1474 OE2 GLU B 205 11.431 -5.614 -11.029 1.00 0.00 O ATOM 0 H GLU B 205 8.616 -8.497 -7.086 1.00 0.00 H new ATOM 0 HA GLU B 205 11.297 -7.975 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU B 205 10.184 -8.266 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU B 205 9.512 -6.656 -8.622 1.00 0.00 H new ATOM 0 HG2 GLU B 205 11.751 -5.675 -8.559 1.00 0.00 H new ATOM 0 HG3 GLU B 205 12.486 -7.266 -8.564 1.00 0.00 H new ATOM 1481 N ARG B 206 9.550 -5.163 -6.548 1.00 0.00 N ATOM 1482 CA ARG B 206 9.534 -3.813 -6.007 1.00 0.00 C ATOM 1483 C ARG B 206 9.222 -3.828 -4.516 1.00 0.00 C ATOM 1484 O ARG B 206 9.953 -3.243 -3.721 1.00 0.00 O ATOM 1485 CB ARG B 206 8.510 -2.943 -6.743 1.00 0.00 C ATOM 1486 CG ARG B 206 8.439 -1.516 -6.218 1.00 0.00 C ATOM 1487 CD ARG B 206 7.415 -0.688 -6.976 1.00 0.00 C ATOM 1488 NE ARG B 206 7.757 -0.556 -8.392 1.00 0.00 N ATOM 1489 CZ ARG B 206 6.913 -0.809 -9.392 1.00 0.00 C ATOM 1490 NH1 ARG B 206 5.677 -1.226 -9.135 1.00 0.00 N ATOM 1491 NH2 ARG B 206 7.304 -0.646 -10.649 1.00 0.00 N ATOM 0 H ARG B 206 8.822 -5.352 -7.237 1.00 0.00 H new ATOM 0 HA ARG B 206 10.527 -3.387 -6.153 1.00 0.00 H new ATOM 0 HB2 ARG B 206 8.760 -2.920 -7.804 1.00 0.00 H new ATOM 0 HB3 ARG B 206 7.525 -3.403 -6.657 1.00 0.00 H new ATOM 0 HG2 ARG B 206 8.183 -1.530 -5.159 1.00 0.00 H new ATOM 0 HG3 ARG B 206 9.420 -1.048 -6.303 1.00 0.00 H new ATOM 0 HD2 ARG B 206 6.433 -1.151 -6.882 1.00 0.00 H new ATOM 0 HD3 ARG B 206 7.345 0.302 -6.526 1.00 0.00 H new ATOM 0 HE ARG B 206 8.701 -0.251 -8.629 1.00 0.00 H new ATOM 0 HH11 ARG B 206 5.372 -1.353 -8.170 1.00 0.00 H new ATOM 0 HH12 ARG B 206 5.034 -1.419 -9.903 1.00 0.00 H new ATOM 0 HH21 ARG B 206 8.251 -0.327 -10.851 1.00 0.00 H new ATOM 0 HH22 ARG B 206 6.657 -0.840 -11.414 1.00 0.00 H new ATOM 1505 N LEU B 207 8.152 -4.510 -4.137 1.00 0.00 N ATOM 1506 CA LEU B 207 7.695 -4.479 -2.755 1.00 0.00 C ATOM 1507 C LEU B 207 8.693 -5.153 -1.820 1.00 0.00 C ATOM 1508 O LEU B 207 9.346 -4.477 -1.035 1.00 0.00 O ATOM 1509 CB LEU B 207 6.314 -5.122 -2.621 1.00 0.00 C ATOM 1510 CG LEU B 207 5.728 -5.141 -1.201 1.00 0.00 C ATOM 1511 CD1 LEU B 207 5.736 -3.754 -0.577 1.00 0.00 C ATOM 1512 CD2 LEU B 207 4.317 -5.692 -1.237 1.00 0.00 C ATOM 0 H LEU B 207 7.588 -5.087 -4.760 1.00 0.00 H new ATOM 0 HA LEU B 207 7.618 -3.432 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU B 207 5.621 -4.592 -3.274 1.00 0.00 H new ATOM 0 HB3 LEU B 207 6.373 -6.148 -2.984 1.00 0.00 H new ATOM 0 HG LEU B 207 6.354 -5.785 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU B 207 5.315 -3.804 0.427 1.00 0.00 H new ATOM 0 HD12 LEU B 207 6.760 -3.385 -0.523 1.00 0.00 H new ATOM 0 HD13 LEU B 207 5.139 -3.077 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU B 207 3.905 -5.704 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU B 207 3.697 -5.062 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU B 207 4.333 -6.707 -1.634 1.00 0.00 H new ATOM 1524 N LYS B 208 8.834 -6.469 -1.937 1.00 0.00 N ATOM 1525 CA LYS B 208 9.634 -7.243 -0.989 1.00 0.00 C ATOM 1526 C LYS B 208 11.076 -6.743 -0.904 1.00 0.00 C ATOM 1527 O LYS B 208 11.613 -6.597 0.194 1.00 0.00 O ATOM 1528 CB LYS B 208 9.622 -8.735 -1.348 1.00 0.00 C ATOM 1529 CG LYS B 208 10.511 -9.583 -0.449 1.00 0.00 C ATOM 1530 CD LYS B 208 10.553 -11.043 -0.883 1.00 0.00 C ATOM 1531 CE LYS B 208 9.186 -11.700 -0.796 1.00 0.00 C ATOM 1532 NZ LYS B 208 9.265 -13.177 -0.952 1.00 0.00 N ATOM 0 H LYS B 208 8.406 -7.024 -2.678 1.00 0.00 H new ATOM 0 HA LYS B 208 9.174 -7.106 -0.010 1.00 0.00 H new ATOM 0 HB2 LYS B 208 8.599 -9.107 -1.289 1.00 0.00 H new ATOM 0 HB3 LYS B 208 9.945 -8.854 -2.382 1.00 0.00 H new ATOM 0 HG2 LYS B 208 11.522 -9.176 -0.455 1.00 0.00 H new ATOM 0 HG3 LYS B 208 10.149 -9.522 0.577 1.00 0.00 H new ATOM 0 HD2 LYS B 208 10.922 -11.107 -1.907 1.00 0.00 H new ATOM 0 HD3 LYS B 208 11.258 -11.588 -0.256 1.00 0.00 H new ATOM 0 HE2 LYS B 208 8.730 -11.461 0.165 1.00 0.00 H new ATOM 0 HE3 LYS B 208 8.536 -11.288 -1.568 1.00 0.00 H new ATOM 0 HZ1 LYS B 208 8.309 -13.583 -0.903 1.00 0.00 H new ATOM 0 HZ2 LYS B 208 9.692 -13.407 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS B 208 9.850 -13.576 -0.190 1.00 0.00 H new ATOM 1546 N ARG B 209 11.703 -6.454 -2.042 1.00 0.00 N ATOM 1547 CA ARG B 209 13.120 -6.107 -2.030 1.00 0.00 C ATOM 1548 C ARG B 209 13.360 -4.685 -1.522 1.00 0.00 C ATOM 1549 O ARG B 209 14.410 -4.404 -0.942 1.00 0.00 O ATOM 1550 CB ARG B 209 13.761 -6.307 -3.405 1.00 0.00 C ATOM 1551 CG ARG B 209 14.030 -7.769 -3.746 1.00 0.00 C ATOM 1552 CD ARG B 209 12.774 -8.501 -4.200 1.00 0.00 C ATOM 1553 NE ARG B 209 13.034 -9.914 -4.477 1.00 0.00 N ATOM 1554 CZ ARG B 209 13.076 -10.443 -5.701 1.00 0.00 C ATOM 1555 NH1 ARG B 209 12.975 -9.666 -6.774 1.00 0.00 N ATOM 1556 NH2 ARG B 209 13.259 -11.746 -5.849 1.00 0.00 N ATOM 0 H ARG B 209 11.264 -6.453 -2.963 1.00 0.00 H new ATOM 0 HA ARG B 209 13.601 -6.791 -1.331 1.00 0.00 H new ATOM 0 HB2 ARG B 209 13.109 -5.879 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG B 209 14.700 -5.755 -3.443 1.00 0.00 H new ATOM 0 HG2 ARG B 209 14.783 -7.823 -4.532 1.00 0.00 H new ATOM 0 HG3 ARG B 209 14.445 -8.272 -2.873 1.00 0.00 H new ATOM 0 HD2 ARG B 209 12.007 -8.418 -3.430 1.00 0.00 H new ATOM 0 HD3 ARG B 209 12.379 -8.022 -5.096 1.00 0.00 H new ATOM 0 HE ARG B 209 13.193 -10.534 -3.683 1.00 0.00 H new ATOM 0 HH11 ARG B 209 12.865 -8.658 -6.665 1.00 0.00 H new ATOM 0 HH12 ARG B 209 13.008 -10.078 -7.707 1.00 0.00 H new ATOM 0 HH21 ARG B 209 13.367 -12.342 -5.029 1.00 0.00 H new ATOM 0 HH22 ARG B 209 13.292 -12.154 -6.783 1.00 0.00 H new ATOM 1570 N LYS B 210 12.401 -3.787 -1.722 1.00 0.00 N ATOM 1571 CA LYS B 210 12.532 -2.431 -1.193 1.00 0.00 C ATOM 1572 C LYS B 210 12.034 -2.373 0.249 1.00 0.00 C ATOM 1573 O LYS B 210 12.468 -1.530 1.032 1.00 0.00 O ATOM 1574 CB LYS B 210 11.766 -1.425 -2.054 1.00 0.00 C ATOM 1575 CG LYS B 210 12.307 -1.288 -3.469 1.00 0.00 C ATOM 1576 CD LYS B 210 11.479 -0.306 -4.282 1.00 0.00 C ATOM 1577 CE LYS B 210 11.970 -0.196 -5.718 1.00 0.00 C ATOM 1578 NZ LYS B 210 13.377 0.277 -5.795 1.00 0.00 N ATOM 0 H LYS B 210 11.539 -3.967 -2.237 1.00 0.00 H new ATOM 0 HA LYS B 210 13.588 -2.163 -1.216 1.00 0.00 H new ATOM 0 HB2 LYS B 210 10.720 -1.726 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS B 210 11.795 -0.450 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS B 210 13.343 -0.952 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS B 210 12.304 -2.262 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS B 210 10.436 -0.622 -4.279 1.00 0.00 H new ATOM 0 HD3 LYS B 210 11.516 0.676 -3.810 1.00 0.00 H new ATOM 0 HE2 LYS B 210 11.888 -1.168 -6.204 1.00 0.00 H new ATOM 0 HE3 LYS B 210 11.327 0.491 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 210 13.620 0.483 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 210 13.485 1.140 -5.225 1.00 0.00 H new ATOM 0 HZ3 LYS B 210 14.012 -0.461 -5.429 1.00 0.00 H new ATOM 1592 N TYR B 211 11.121 -3.275 0.580 1.00 0.00 N ATOM 1593 CA TYR B 211 10.586 -3.398 1.931 1.00 0.00 C ATOM 1594 C TYR B 211 11.659 -3.949 2.867 1.00 0.00 C ATOM 1595 O TYR B 211 11.860 -3.448 3.975 1.00 0.00 O ATOM 1596 CB TYR B 211 9.370 -4.340 1.898 1.00 0.00 C ATOM 1597 CG TYR B 211 8.580 -4.443 3.184 1.00 0.00 C ATOM 1598 CD1 TYR B 211 7.254 -4.044 3.223 1.00 0.00 C ATOM 1599 CD2 TYR B 211 9.146 -4.954 4.346 1.00 0.00 C ATOM 1600 CE1 TYR B 211 6.513 -4.147 4.384 1.00 0.00 C ATOM 1601 CE2 TYR B 211 8.414 -5.057 5.511 1.00 0.00 C ATOM 1602 CZ TYR B 211 7.098 -4.654 5.526 1.00 0.00 C ATOM 1603 OH TYR B 211 6.366 -4.756 6.687 1.00 0.00 O ATOM 0 H TYR B 211 10.728 -3.945 -0.082 1.00 0.00 H new ATOM 0 HA TYR B 211 10.278 -2.419 2.300 1.00 0.00 H new ATOM 0 HB2 TYR B 211 8.698 -4.007 1.107 1.00 0.00 H new ATOM 0 HB3 TYR B 211 9.715 -5.337 1.625 1.00 0.00 H new ATOM 0 HD1 TYR B 211 6.792 -3.646 2.331 1.00 0.00 H new ATOM 0 HD2 TYR B 211 10.177 -5.276 4.337 1.00 0.00 H new ATOM 0 HE1 TYR B 211 5.480 -3.832 4.398 1.00 0.00 H new ATOM 0 HE2 TYR B 211 8.871 -5.452 6.406 1.00 0.00 H new ATOM 0 HH TYR B 211 6.928 -5.134 7.396 1.00 0.00 H new ATOM 1613 N ARG B 212 12.350 -4.978 2.392 1.00 0.00 N ATOM 1614 CA ARG B 212 13.354 -5.681 3.181 1.00 0.00 C ATOM 1615 C ARG B 212 14.515 -4.760 3.557 1.00 0.00 C ATOM 1616 O ARG B 212 15.076 -4.870 4.646 1.00 0.00 O ATOM 1617 CB ARG B 212 13.878 -6.878 2.388 1.00 0.00 C ATOM 1618 CG ARG B 212 14.652 -7.889 3.217 1.00 0.00 C ATOM 1619 CD ARG B 212 13.746 -8.618 4.195 1.00 0.00 C ATOM 1620 NE ARG B 212 14.442 -9.708 4.874 1.00 0.00 N ATOM 1621 CZ ARG B 212 13.873 -10.871 5.195 1.00 0.00 C ATOM 1622 NH1 ARG B 212 12.588 -11.087 4.935 1.00 0.00 N ATOM 1623 NH2 ARG B 212 14.588 -11.817 5.785 1.00 0.00 N ATOM 0 H ARG B 212 12.230 -5.349 1.449 1.00 0.00 H new ATOM 0 HA ARG B 212 12.885 -6.023 4.104 1.00 0.00 H new ATOM 0 HB2 ARG B 212 13.035 -7.383 1.916 1.00 0.00 H new ATOM 0 HB3 ARG B 212 14.521 -6.514 1.587 1.00 0.00 H new ATOM 0 HG2 ARG B 212 15.132 -8.611 2.557 1.00 0.00 H new ATOM 0 HG3 ARG B 212 15.446 -7.381 3.764 1.00 0.00 H new ATOM 0 HD2 ARG B 212 13.368 -7.912 4.935 1.00 0.00 H new ATOM 0 HD3 ARG B 212 12.882 -9.015 3.662 1.00 0.00 H new ATOM 0 HE ARG B 212 15.423 -9.572 5.118 1.00 0.00 H new ATOM 0 HH11 ARG B 212 12.029 -10.361 4.487 1.00 0.00 H new ATOM 0 HH12 ARG B 212 12.160 -11.979 5.184 1.00 0.00 H new ATOM 0 HH21 ARG B 212 15.573 -11.656 5.994 1.00 0.00 H new ATOM 0 HH22 ARG B 212 14.153 -12.706 6.031 1.00 0.00 H new ATOM 1637 N ASN B 213 14.868 -3.857 2.652 1.00 0.00 N ATOM 1638 CA ASN B 213 15.991 -2.957 2.876 1.00 0.00 C ATOM 1639 C ASN B 213 15.541 -1.714 3.635 1.00 0.00 C ATOM 1640 O ASN B 213 15.102 -0.742 2.987 1.00 0.00 O ATOM 1641 CB ASN B 213 16.631 -2.558 1.545 1.00 0.00 C ATOM 1642 CG ASN B 213 17.891 -1.734 1.736 1.00 0.00 C ATOM 1643 OD1 ASN B 213 18.603 -1.886 2.732 1.00 0.00 O ATOM 1644 ND2 ASN B 213 18.189 -0.874 0.777 1.00 0.00 N ATOM 1645 OXT ASN B 213 15.613 -1.717 4.881 1.00 0.00 O ATOM 0 H ASN B 213 14.394 -3.728 1.758 1.00 0.00 H new ATOM 0 HA ASN B 213 16.733 -3.482 3.478 1.00 0.00 H new ATOM 0 HB2 ASN B 213 16.870 -3.456 0.975 1.00 0.00 H new ATOM 0 HB3 ASN B 213 15.913 -1.988 0.955 1.00 0.00 H new ATOM 0 HD21 ASN B 213 19.034 -0.307 0.845 1.00 0.00 H new ATOM 0 HD22 ASN B 213 17.574 -0.778 -0.031 1.00 0.00 H new TER 1652 ASN B 213