USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 634 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 39 GLN : amide:sc= -1.81! C(o=-0.42!,f=-4.1!) USER MOD Set 1.2: A 57 THR OG1 : rot -78:sc= 1.38 USER MOD Set 2.1: A 21 ASN : amide:sc= -0.13! K(o=0.63!,f=-3.4) USER MOD Set 2.2: A 40 LYS NZ :NH3+ 148:sc= 0.757 (180deg=-0.32) USER MOD Set 3.1: A 10 CYS SG : rot -178:sc= -1.94! USER MOD Set 3.2: A 13 CYS SG : rot 110:sc= -2.44 USER MOD Set 3.3: A 56 CYS SG : rot -29:sc= -0.766! USER MOD Set 3.4: A 59 CYS SG : rot 75:sc= 1.38 USER MOD Single : A 1 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.42) USER MOD Single : A 1 GLN N :NH3+ -111:sc= 0.0275 (180deg=-0.00144) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl -164:sc= -0.128 (180deg=-0.611) USER MOD Single : A 6 MET CE :methyl -160:sc= -0.0931 (180deg=-0.621) USER MOD Single : A 8 LYS NZ :NH3+ -152:sc= 1.22 (180deg=0.959) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0522 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc=-0.00444 X(o=-0.0044,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0311) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0397 USER MOD Single : A 37 ASN : amide:sc= 0.24 X(o=0.24,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 51 LYS NZ :NH3+ 162:sc= -0.0408 (180deg=-0.324) USER MOD Single : A 53 MET CE :methyl -164:sc= -0.0912 (180deg=-0.488) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00999 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 170:sc=-0.00776 (180deg=-0.129) USER MOD Single : A 66 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0227) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 49:sc= 0.123 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -14.705 -2.525 -23.155 1.00 0.00 N ATOM 2 CA GLN A 1 -13.926 -2.809 -21.931 1.00 0.00 C ATOM 3 C GLN A 1 -13.923 -1.598 -21.013 1.00 0.00 C ATOM 4 O GLN A 1 -13.926 -0.456 -21.478 1.00 0.00 O ATOM 5 CB GLN A 1 -12.487 -3.194 -22.281 1.00 0.00 C ATOM 6 CG GLN A 1 -12.360 -4.556 -22.945 1.00 0.00 C ATOM 7 CD GLN A 1 -12.893 -5.679 -22.078 1.00 0.00 C ATOM 8 OE1 GLN A 1 -14.066 -6.041 -22.159 1.00 0.00 O ATOM 9 NE2 GLN A 1 -12.044 -6.220 -21.222 1.00 0.00 N ATOM 0 H1 GLN A 1 -15.577 -3.091 -23.150 1.00 0.00 H new ATOM 0 H2 GLN A 1 -14.948 -1.514 -23.185 1.00 0.00 H new ATOM 0 H3 GLN A 1 -14.138 -2.770 -23.992 1.00 0.00 H new ATOM 0 HA GLN A 1 -14.398 -3.646 -21.417 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -12.069 -2.437 -22.944 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -11.887 -3.187 -21.371 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -12.899 -4.546 -23.892 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -11.312 -4.747 -23.177 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -11.079 -5.892 -21.185 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -12.354 -6.965 -20.598 1.00 0.00 H new ATOM 20 N GLY A 2 -13.931 -1.846 -19.713 1.00 0.00 N ATOM 21 CA GLY A 2 -13.872 -0.766 -18.754 1.00 0.00 C ATOM 22 C GLY A 2 -15.232 -0.421 -18.185 1.00 0.00 C ATOM 23 O GLY A 2 -15.993 0.344 -18.784 1.00 0.00 O ATOM 0 H GLY A 2 -13.977 -2.780 -19.305 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.201 -1.043 -17.941 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -13.447 0.117 -19.232 1.00 0.00 H new ATOM 27 N HIS A 3 -15.542 -0.999 -17.036 1.00 0.00 N ATOM 28 CA HIS A 3 -16.798 -0.718 -16.358 1.00 0.00 C ATOM 29 C HIS A 3 -16.643 0.492 -15.449 1.00 0.00 C ATOM 30 O HIS A 3 -15.694 0.582 -14.667 1.00 0.00 O ATOM 31 CB HIS A 3 -17.270 -1.934 -15.555 1.00 0.00 C ATOM 32 CG HIS A 3 -17.670 -3.096 -16.413 1.00 0.00 C ATOM 33 ND1 HIS A 3 -16.767 -4.011 -16.904 1.00 0.00 N ATOM 34 CD2 HIS A 3 -18.880 -3.479 -16.881 1.00 0.00 C ATOM 35 CE1 HIS A 3 -17.403 -4.905 -17.635 1.00 0.00 C ATOM 36 NE2 HIS A 3 -18.689 -4.607 -17.640 1.00 0.00 N ATOM 0 H HIS A 3 -14.941 -1.666 -16.552 1.00 0.00 H new ATOM 0 HA HIS A 3 -17.554 -0.498 -17.112 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -16.472 -2.247 -14.881 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -18.116 -1.643 -14.933 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -19.823 -2.988 -16.692 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -16.948 -5.741 -18.145 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -19.419 -5.128 -18.126 1.00 0.00 H new ATOM 45 N MET A 4 -17.579 1.422 -15.564 1.00 0.00 N ATOM 46 CA MET A 4 -17.529 2.663 -14.805 1.00 0.00 C ATOM 47 C MET A 4 -17.938 2.423 -13.361 1.00 0.00 C ATOM 48 O MET A 4 -17.293 2.905 -12.429 1.00 0.00 O ATOM 49 CB MET A 4 -18.456 3.702 -15.438 1.00 0.00 C ATOM 50 CG MET A 4 -18.422 5.057 -14.748 1.00 0.00 C ATOM 51 SD MET A 4 -19.680 6.190 -15.375 1.00 0.00 S ATOM 52 CE MET A 4 -19.296 6.201 -17.123 1.00 0.00 C ATOM 0 H MET A 4 -18.388 1.340 -16.180 1.00 0.00 H new ATOM 0 HA MET A 4 -16.505 3.036 -14.822 1.00 0.00 H new ATOM 0 HB2 MET A 4 -18.181 3.831 -16.485 1.00 0.00 H new ATOM 0 HB3 MET A 4 -19.477 3.322 -15.421 1.00 0.00 H new ATOM 0 HG2 MET A 4 -18.566 4.918 -13.676 1.00 0.00 H new ATOM 0 HG3 MET A 4 -17.437 5.504 -14.882 1.00 0.00 H new ATOM 0 HE1 MET A 4 -19.785 7.052 -17.598 1.00 0.00 H new ATOM 0 HE2 MET A 4 -18.217 6.281 -17.258 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.652 5.277 -17.579 1.00 0.00 H new ATOM 62 N ILE A 5 -19.011 1.668 -13.188 1.00 0.00 N ATOM 63 CA ILE A 5 -19.533 1.369 -11.866 1.00 0.00 C ATOM 64 C ILE A 5 -18.877 0.109 -11.306 1.00 0.00 C ATOM 65 O ILE A 5 -18.842 -0.934 -11.960 1.00 0.00 O ATOM 66 CB ILE A 5 -21.076 1.199 -11.874 1.00 0.00 C ATOM 67 CG1 ILE A 5 -21.778 2.538 -12.150 1.00 0.00 C ATOM 68 CG2 ILE A 5 -21.566 0.617 -10.556 1.00 0.00 C ATOM 69 CD1 ILE A 5 -21.743 2.975 -13.602 1.00 0.00 C ATOM 0 H ILE A 5 -19.540 1.249 -13.953 1.00 0.00 H new ATOM 0 HA ILE A 5 -19.294 2.219 -11.226 1.00 0.00 H new ATOM 0 HB ILE A 5 -21.326 0.505 -12.676 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -22.817 2.462 -11.831 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -21.313 3.311 -11.539 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -22.650 0.508 -10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -21.107 -0.359 -10.396 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -21.292 1.285 -9.739 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -22.261 3.928 -13.708 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -20.707 3.087 -13.924 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -22.236 2.224 -14.220 1.00 0.00 H new ATOM 81 N MET A 6 -18.352 0.221 -10.099 1.00 0.00 N ATOM 82 CA MET A 6 -17.710 -0.892 -9.421 1.00 0.00 C ATOM 83 C MET A 6 -18.130 -0.870 -7.955 1.00 0.00 C ATOM 84 O MET A 6 -18.745 0.104 -7.517 1.00 0.00 O ATOM 85 CB MET A 6 -16.183 -0.776 -9.562 1.00 0.00 C ATOM 86 CG MET A 6 -15.404 -1.967 -9.013 1.00 0.00 C ATOM 87 SD MET A 6 -13.624 -1.823 -9.268 1.00 0.00 S ATOM 88 CE MET A 6 -13.535 -1.886 -11.058 1.00 0.00 C ATOM 0 H MET A 6 -18.359 1.087 -9.560 1.00 0.00 H new ATOM 0 HA MET A 6 -18.015 -1.839 -9.867 1.00 0.00 H new ATOM 0 HB2 MET A 6 -15.937 -0.652 -10.617 1.00 0.00 H new ATOM 0 HB3 MET A 6 -15.851 0.127 -9.049 1.00 0.00 H new ATOM 0 HG2 MET A 6 -15.606 -2.066 -7.946 1.00 0.00 H new ATOM 0 HG3 MET A 6 -15.761 -2.879 -9.491 1.00 0.00 H new ATOM 0 HE1 MET A 6 -12.526 -2.164 -11.363 1.00 0.00 H new ATOM 0 HE2 MET A 6 -14.243 -2.625 -11.432 1.00 0.00 H new ATOM 0 HE3 MET A 6 -13.782 -0.907 -11.469 1.00 0.00 H new ATOM 98 N ALA A 7 -17.832 -1.943 -7.219 1.00 0.00 N ATOM 99 CA ALA A 7 -18.165 -2.037 -5.793 1.00 0.00 C ATOM 100 C ALA A 7 -17.748 -0.777 -5.034 1.00 0.00 C ATOM 101 O ALA A 7 -18.583 -0.094 -4.442 1.00 0.00 O ATOM 102 CB ALA A 7 -17.510 -3.271 -5.178 1.00 0.00 C ATOM 0 H ALA A 7 -17.357 -2.766 -7.590 1.00 0.00 H new ATOM 0 HA ALA A 7 -19.248 -2.130 -5.709 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -17.765 -3.329 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -17.869 -4.165 -5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -16.428 -3.201 -5.287 1.00 0.00 H new ATOM 108 N LYS A 8 -16.458 -0.478 -5.050 1.00 0.00 N ATOM 109 CA LYS A 8 -15.957 0.755 -4.467 1.00 0.00 C ATOM 110 C LYS A 8 -14.595 1.089 -5.055 1.00 0.00 C ATOM 111 O LYS A 8 -13.759 0.206 -5.243 1.00 0.00 O ATOM 112 CB LYS A 8 -15.861 0.652 -2.937 1.00 0.00 C ATOM 113 CG LYS A 8 -15.574 1.988 -2.261 1.00 0.00 C ATOM 114 CD LYS A 8 -15.541 1.873 -0.743 1.00 0.00 C ATOM 115 CE LYS A 8 -15.353 3.237 -0.088 1.00 0.00 C ATOM 116 NZ LYS A 8 -15.270 3.156 1.395 1.00 0.00 N ATOM 0 H LYS A 8 -15.739 -1.074 -5.461 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.660 1.553 -4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.796 0.249 -2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.075 -0.056 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.618 2.373 -2.615 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.336 2.711 -2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.469 1.422 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.730 1.209 -0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.444 3.698 -0.474 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.183 3.886 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -15.612 4.046 1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.858 2.367 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.282 2.998 1.679 1.00 0.00 H new ATOM 130 N ARG A 9 -14.390 2.359 -5.368 1.00 0.00 N ATOM 131 CA ARG A 9 -13.108 2.835 -5.861 1.00 0.00 C ATOM 132 C ARG A 9 -12.096 2.908 -4.726 1.00 0.00 C ATOM 133 O ARG A 9 -12.423 2.612 -3.575 1.00 0.00 O ATOM 134 CB ARG A 9 -13.287 4.216 -6.482 1.00 0.00 C ATOM 135 CG ARG A 9 -14.191 4.224 -7.702 1.00 0.00 C ATOM 136 CD ARG A 9 -13.500 3.611 -8.910 1.00 0.00 C ATOM 137 NE ARG A 9 -14.332 3.673 -10.110 1.00 0.00 N ATOM 138 CZ ARG A 9 -14.342 4.702 -10.960 1.00 0.00 C ATOM 139 NH1 ARG A 9 -13.573 5.766 -10.740 1.00 0.00 N ATOM 140 NH2 ARG A 9 -15.119 4.669 -12.034 1.00 0.00 N ATOM 0 H ARG A 9 -15.103 3.084 -5.288 1.00 0.00 H new ATOM 0 HA ARG A 9 -12.736 2.139 -6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.698 4.892 -5.732 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.309 4.608 -6.763 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.104 3.670 -7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.486 5.248 -7.931 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.561 4.133 -9.093 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.251 2.572 -8.696 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.943 2.881 -10.310 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.971 5.799 -9.917 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.586 6.549 -11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -15.710 3.857 -12.211 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -15.126 5.456 -12.683 1.00 0.00 H new ATOM 154 N CYS A 10 -10.868 3.300 -5.053 1.00 0.00 N ATOM 155 CA CYS A 10 -9.843 3.505 -4.044 1.00 0.00 C ATOM 156 C CYS A 10 -10.336 4.484 -2.991 1.00 0.00 C ATOM 157 O CYS A 10 -10.792 5.583 -3.314 1.00 0.00 O ATOM 158 CB CYS A 10 -8.556 4.030 -4.680 1.00 0.00 C ATOM 159 SG CYS A 10 -7.236 4.375 -3.496 1.00 0.00 S ATOM 0 H CYS A 10 -10.562 3.481 -6.009 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.630 2.546 -3.571 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.197 3.299 -5.405 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.782 4.942 -5.232 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.203 4.852 -4.125 1.00 0.00 H new ATOM 165 N GLU A 11 -10.223 4.088 -1.735 1.00 0.00 N ATOM 166 CA GLU A 11 -10.765 4.869 -0.631 1.00 0.00 C ATOM 167 C GLU A 11 -9.889 6.074 -0.312 1.00 0.00 C ATOM 168 O GLU A 11 -10.141 6.803 0.645 1.00 0.00 O ATOM 169 CB GLU A 11 -10.930 3.982 0.604 1.00 0.00 C ATOM 170 CG GLU A 11 -11.782 2.755 0.334 1.00 0.00 C ATOM 171 CD GLU A 11 -12.000 1.894 1.559 1.00 0.00 C ATOM 172 OE1 GLU A 11 -11.132 1.056 1.859 1.00 0.00 O ATOM 173 OE2 GLU A 11 -13.063 2.022 2.197 1.00 0.00 O ATOM 0 H GLU A 11 -9.758 3.226 -1.451 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.742 5.247 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.947 3.667 0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.383 4.564 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.750 3.072 -0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.307 2.156 -0.443 1.00 0.00 H new ATOM 180 N VAL A 12 -8.865 6.284 -1.125 1.00 0.00 N ATOM 181 CA VAL A 12 -7.971 7.414 -0.945 1.00 0.00 C ATOM 182 C VAL A 12 -8.273 8.517 -1.962 1.00 0.00 C ATOM 183 O VAL A 12 -8.586 9.646 -1.586 1.00 0.00 O ATOM 184 CB VAL A 12 -6.494 6.989 -1.070 1.00 0.00 C ATOM 185 CG1 VAL A 12 -5.565 8.175 -0.842 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.170 5.867 -0.091 1.00 0.00 C ATOM 0 H VAL A 12 -8.633 5.684 -1.917 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.139 7.799 0.061 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.337 6.620 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.529 7.849 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.771 8.946 -1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.729 8.579 0.157 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.123 5.583 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.352 6.209 0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.803 5.005 -0.303 1.00 0.00 H new ATOM 196 N CYS A 13 -8.192 8.185 -3.247 1.00 0.00 N ATOM 197 CA CYS A 13 -8.362 9.192 -4.295 1.00 0.00 C ATOM 198 C CYS A 13 -9.514 8.868 -5.243 1.00 0.00 C ATOM 199 O CYS A 13 -10.058 9.762 -5.894 1.00 0.00 O ATOM 200 CB CYS A 13 -7.062 9.345 -5.079 1.00 0.00 C ATOM 201 SG CYS A 13 -5.669 9.859 -4.053 1.00 0.00 S ATOM 0 H CYS A 13 -8.012 7.240 -3.587 1.00 0.00 H new ATOM 0 HA CYS A 13 -8.613 10.132 -3.803 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.821 8.396 -5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -7.209 10.076 -5.874 1.00 0.00 H new ATOM 0 HG CYS A 13 -4.831 8.873 -3.934 1.00 0.00 H new ATOM 207 N GLY A 14 -9.888 7.601 -5.333 1.00 0.00 N ATOM 208 CA GLY A 14 -11.006 7.232 -6.180 1.00 0.00 C ATOM 209 C GLY A 14 -10.590 6.516 -7.453 1.00 0.00 C ATOM 210 O GLY A 14 -11.429 6.230 -8.308 1.00 0.00 O ATOM 0 H GLY A 14 -9.443 6.827 -4.840 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.683 6.590 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.564 8.130 -6.443 1.00 0.00 H new ATOM 214 N LYS A 15 -9.299 6.237 -7.595 1.00 0.00 N ATOM 215 CA LYS A 15 -8.815 5.469 -8.739 1.00 0.00 C ATOM 216 C LYS A 15 -9.174 3.993 -8.590 1.00 0.00 C ATOM 217 O LYS A 15 -9.737 3.578 -7.576 1.00 0.00 O ATOM 218 CB LYS A 15 -7.298 5.611 -8.899 1.00 0.00 C ATOM 219 CG LYS A 15 -6.846 6.949 -9.458 1.00 0.00 C ATOM 220 CD LYS A 15 -5.353 6.928 -9.759 1.00 0.00 C ATOM 221 CE LYS A 15 -4.922 8.115 -10.611 1.00 0.00 C ATOM 222 NZ LYS A 15 -5.038 9.410 -9.891 1.00 0.00 N ATOM 0 H LYS A 15 -8.574 6.527 -6.939 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.301 5.869 -9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.827 5.460 -7.928 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.939 4.818 -9.554 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.403 7.176 -10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.067 7.741 -8.743 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.795 6.933 -8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.101 6.002 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.889 7.972 -10.930 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.532 8.150 -11.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.732 10.183 -10.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.027 9.563 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.436 9.391 -9.043 1.00 0.00 H new ATOM 236 N ALA A 16 -8.843 3.208 -9.603 1.00 0.00 N ATOM 237 CA ALA A 16 -9.075 1.774 -9.564 1.00 0.00 C ATOM 238 C ALA A 16 -7.752 1.030 -9.435 1.00 0.00 C ATOM 239 O ALA A 16 -6.733 1.465 -9.976 1.00 0.00 O ATOM 240 CB ALA A 16 -9.826 1.325 -10.811 1.00 0.00 C ATOM 0 H ALA A 16 -8.411 3.542 -10.465 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.688 1.541 -8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -9.993 0.249 -10.768 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.786 1.839 -10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.238 1.566 -11.696 1.00 0.00 H new ATOM 246 N PRO A 17 -7.738 -0.088 -8.699 1.00 0.00 N ATOM 247 CA PRO A 17 -6.534 -0.894 -8.521 1.00 0.00 C ATOM 248 C PRO A 17 -6.292 -1.842 -9.689 1.00 0.00 C ATOM 249 O PRO A 17 -7.233 -2.278 -10.352 1.00 0.00 O ATOM 250 CB PRO A 17 -6.844 -1.683 -7.253 1.00 0.00 C ATOM 251 CG PRO A 17 -8.322 -1.878 -7.293 1.00 0.00 C ATOM 252 CD PRO A 17 -8.896 -0.660 -7.977 1.00 0.00 C ATOM 0 HA PRO A 17 -5.632 -0.285 -8.462 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.317 -2.637 -7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.539 -1.137 -6.360 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.579 -2.786 -7.838 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.727 -1.985 -6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.702 -0.927 -8.660 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.309 0.047 -7.257 1.00 0.00 H new ATOM 260 N ARG A 18 -5.033 -2.155 -9.943 1.00 0.00 N ATOM 261 CA ARG A 18 -4.694 -3.097 -10.998 1.00 0.00 C ATOM 262 C ARG A 18 -4.376 -4.459 -10.397 1.00 0.00 C ATOM 263 O ARG A 18 -4.939 -5.475 -10.797 1.00 0.00 O ATOM 264 CB ARG A 18 -3.505 -2.593 -11.818 1.00 0.00 C ATOM 265 CG ARG A 18 -3.243 -3.429 -13.061 1.00 0.00 C ATOM 266 CD ARG A 18 -1.962 -3.013 -13.766 1.00 0.00 C ATOM 267 NE ARG A 18 -1.986 -1.618 -14.199 1.00 0.00 N ATOM 268 CZ ARG A 18 -1.159 -1.118 -15.117 1.00 0.00 C ATOM 269 NH1 ARG A 18 -0.289 -1.915 -15.727 1.00 0.00 N ATOM 270 NH2 ARG A 18 -1.202 0.172 -15.420 1.00 0.00 N ATOM 0 H ARG A 18 -4.233 -1.774 -9.438 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.552 -3.191 -11.664 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.687 -1.560 -12.114 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.613 -2.593 -11.192 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.179 -4.481 -12.784 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.084 -3.331 -13.748 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.116 -3.167 -13.096 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.803 -3.656 -14.632 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.672 -0.993 -13.776 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.255 -2.907 -15.493 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.345 -1.535 -16.430 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.869 0.784 -14.950 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -0.568 0.552 -16.123 1.00 0.00 H new ATOM 284 N SER A 19 -3.481 -4.467 -9.421 1.00 0.00 N ATOM 285 CA SER A 19 -3.091 -5.701 -8.762 1.00 0.00 C ATOM 286 C SER A 19 -4.031 -5.986 -7.591 1.00 0.00 C ATOM 287 O SER A 19 -5.015 -5.265 -7.380 1.00 0.00 O ATOM 288 CB SER A 19 -1.631 -5.608 -8.287 1.00 0.00 C ATOM 289 OG SER A 19 -1.157 -6.856 -7.801 1.00 0.00 O ATOM 0 H SER A 19 -3.012 -3.632 -9.069 1.00 0.00 H new ATOM 0 HA SER A 19 -3.166 -6.526 -9.470 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.000 -5.275 -9.111 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.551 -4.857 -7.501 1.00 0.00 H new ATOM 0 HG SER A 19 -0.226 -6.761 -7.509 1.00 0.00 H new ATOM 295 N GLY A 20 -3.733 -7.034 -6.847 1.00 0.00 N ATOM 296 CA GLY A 20 -4.556 -7.413 -5.723 1.00 0.00 C ATOM 297 C GLY A 20 -3.869 -8.441 -4.857 1.00 0.00 C ATOM 298 O GLY A 20 -2.780 -8.914 -5.193 1.00 0.00 O ATOM 0 H GLY A 20 -2.925 -7.637 -7.004 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.789 -6.531 -5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -5.504 -7.814 -6.083 1.00 0.00 H new ATOM 302 N ASN A 21 -4.493 -8.791 -3.747 1.00 0.00 N ATOM 303 CA ASN A 21 -3.927 -9.772 -2.833 1.00 0.00 C ATOM 304 C ASN A 21 -4.731 -11.064 -2.862 1.00 0.00 C ATOM 305 O ASN A 21 -5.912 -11.055 -3.216 1.00 0.00 O ATOM 306 CB ASN A 21 -3.847 -9.220 -1.396 1.00 0.00 C ATOM 307 CG ASN A 21 -5.119 -8.526 -0.909 1.00 0.00 C ATOM 308 OD1 ASN A 21 -5.052 -7.624 -0.070 1.00 0.00 O ATOM 309 ND2 ASN A 21 -6.278 -8.930 -1.408 1.00 0.00 N ATOM 0 H ASN A 21 -5.393 -8.411 -3.455 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.912 -9.987 -3.167 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.614 -10.041 -0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.019 -8.514 -1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.146 -8.493 -1.100 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.302 -9.678 -2.101 1.00 0.00 H new ATOM 316 N THR A 22 -4.090 -12.168 -2.502 1.00 0.00 N ATOM 317 CA THR A 22 -4.758 -13.458 -2.452 1.00 0.00 C ATOM 318 C THR A 22 -5.899 -13.420 -1.439 1.00 0.00 C ATOM 319 O THR A 22 -5.666 -13.384 -0.229 1.00 0.00 O ATOM 320 CB THR A 22 -3.770 -14.583 -2.077 1.00 0.00 C ATOM 321 OG1 THR A 22 -2.574 -14.457 -2.860 1.00 0.00 O ATOM 322 CG2 THR A 22 -4.390 -15.955 -2.314 1.00 0.00 C ATOM 0 H THR A 22 -3.105 -12.194 -2.240 1.00 0.00 H new ATOM 0 HA THR A 22 -5.158 -13.667 -3.444 1.00 0.00 H new ATOM 0 HB THR A 22 -3.530 -14.489 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.948 -15.171 -2.619 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.673 -16.730 -2.042 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.287 -16.059 -1.703 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.654 -16.058 -3.367 1.00 0.00 H new ATOM 330 N VAL A 23 -7.124 -13.394 -1.945 1.00 0.00 N ATOM 331 CA VAL A 23 -8.308 -13.299 -1.102 1.00 0.00 C ATOM 332 C VAL A 23 -8.439 -14.523 -0.198 1.00 0.00 C ATOM 333 O VAL A 23 -8.227 -15.658 -0.626 1.00 0.00 O ATOM 334 CB VAL A 23 -9.593 -13.124 -1.954 1.00 0.00 C ATOM 335 CG1 VAL A 23 -9.797 -14.302 -2.895 1.00 0.00 C ATOM 336 CG2 VAL A 23 -10.814 -12.920 -1.066 1.00 0.00 C ATOM 0 H VAL A 23 -7.325 -13.438 -2.944 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.190 -12.416 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.465 -12.230 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.705 -14.149 -3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.943 -14.382 -3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.889 -15.220 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.701 -12.800 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -10.941 -13.787 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -10.675 -12.027 -0.456 1.00 0.00 H new ATOM 346 N SER A 24 -8.746 -14.279 1.067 1.00 0.00 N ATOM 347 CA SER A 24 -8.943 -15.353 2.027 1.00 0.00 C ATOM 348 C SER A 24 -10.278 -16.047 1.776 1.00 0.00 C ATOM 349 O SER A 24 -11.342 -15.484 2.050 1.00 0.00 O ATOM 350 CB SER A 24 -8.901 -14.790 3.447 1.00 0.00 C ATOM 351 OG SER A 24 -7.751 -13.976 3.641 1.00 0.00 O ATOM 0 H SER A 24 -8.864 -13.342 1.453 1.00 0.00 H new ATOM 0 HA SER A 24 -8.144 -16.085 1.910 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.801 -14.205 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.896 -15.609 4.166 1.00 0.00 H new ATOM 0 HG SER A 24 -7.748 -13.627 4.557 1.00 0.00 H new ATOM 357 N HIS A 25 -10.225 -17.254 1.233 1.00 0.00 N ATOM 358 CA HIS A 25 -11.437 -18.010 0.954 1.00 0.00 C ATOM 359 C HIS A 25 -12.120 -18.427 2.244 1.00 0.00 C ATOM 360 O HIS A 25 -11.512 -19.053 3.113 1.00 0.00 O ATOM 361 CB HIS A 25 -11.138 -19.239 0.094 1.00 0.00 C ATOM 362 CG HIS A 25 -11.496 -19.048 -1.348 1.00 0.00 C ATOM 363 ND1 HIS A 25 -10.569 -19.049 -2.370 1.00 0.00 N ATOM 364 CD2 HIS A 25 -12.699 -18.855 -1.938 1.00 0.00 C ATOM 365 CE1 HIS A 25 -11.189 -18.867 -3.522 1.00 0.00 C ATOM 366 NE2 HIS A 25 -12.481 -18.747 -3.286 1.00 0.00 N ATOM 0 H HIS A 25 -9.360 -17.730 0.978 1.00 0.00 H new ATOM 0 HA HIS A 25 -12.110 -17.359 0.396 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -10.078 -19.479 0.170 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.688 -20.094 0.489 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -13.655 -18.797 -1.438 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.718 -18.824 -4.493 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -13.201 -18.598 -3.993 1.00 0.00 H new ATOM 375 N SER A 26 -13.385 -18.068 2.366 1.00 0.00 N ATOM 376 CA SER A 26 -14.146 -18.357 3.562 1.00 0.00 C ATOM 377 C SER A 26 -15.299 -19.303 3.248 1.00 0.00 C ATOM 378 O SER A 26 -16.055 -19.084 2.299 1.00 0.00 O ATOM 379 CB SER A 26 -14.679 -17.061 4.170 1.00 0.00 C ATOM 380 OG SER A 26 -13.616 -16.176 4.493 1.00 0.00 O ATOM 0 H SER A 26 -13.908 -17.572 1.644 1.00 0.00 H new ATOM 0 HA SER A 26 -13.488 -18.842 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.358 -16.578 3.468 1.00 0.00 H new ATOM 0 HB3 SER A 26 -15.255 -17.286 5.067 1.00 0.00 H new ATOM 0 HG SER A 26 -13.982 -15.353 4.879 1.00 0.00 H new ATOM 386 N ASP A 27 -15.417 -20.351 4.041 1.00 0.00 N ATOM 387 CA ASP A 27 -16.483 -21.332 3.871 1.00 0.00 C ATOM 388 C ASP A 27 -17.533 -21.150 4.958 1.00 0.00 C ATOM 389 O ASP A 27 -18.484 -21.930 5.073 1.00 0.00 O ATOM 390 CB ASP A 27 -15.918 -22.757 3.925 1.00 0.00 C ATOM 391 CG ASP A 27 -15.529 -23.187 5.329 1.00 0.00 C ATOM 392 OD1 ASP A 27 -14.544 -22.646 5.879 1.00 0.00 O ATOM 393 OD2 ASP A 27 -16.207 -24.078 5.886 1.00 0.00 O ATOM 0 H ASP A 27 -14.785 -20.550 4.816 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.944 -21.178 2.896 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.660 -23.451 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.045 -22.821 3.276 1.00 0.00 H new ATOM 398 N LYS A 28 -17.359 -20.101 5.747 1.00 0.00 N ATOM 399 CA LYS A 28 -18.220 -19.854 6.890 1.00 0.00 C ATOM 400 C LYS A 28 -18.822 -18.452 6.852 1.00 0.00 C ATOM 401 O LYS A 28 -18.206 -17.511 6.343 1.00 0.00 O ATOM 402 CB LYS A 28 -17.438 -20.076 8.186 1.00 0.00 C ATOM 403 CG LYS A 28 -16.091 -19.367 8.229 1.00 0.00 C ATOM 404 CD LYS A 28 -15.273 -19.804 9.436 1.00 0.00 C ATOM 405 CE LYS A 28 -13.882 -19.186 9.438 1.00 0.00 C ATOM 406 NZ LYS A 28 -13.926 -17.704 9.559 1.00 0.00 N ATOM 0 H LYS A 28 -16.625 -19.405 5.615 1.00 0.00 H new ATOM 0 HA LYS A 28 -19.050 -20.560 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -18.043 -19.734 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.278 -21.146 8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.536 -19.580 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.246 -18.289 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -15.796 -19.522 10.350 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.187 -20.891 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.304 -19.599 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.364 -19.459 8.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.959 -17.335 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.365 -17.299 8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.485 -17.440 10.396 1.00 0.00 H new ATOM 420 N LYS A 29 -20.032 -18.348 7.398 1.00 0.00 N ATOM 421 CA LYS A 29 -20.790 -17.099 7.470 1.00 0.00 C ATOM 422 C LYS A 29 -21.262 -16.647 6.081 1.00 0.00 C ATOM 423 O LYS A 29 -21.027 -17.333 5.081 1.00 0.00 O ATOM 424 CB LYS A 29 -19.984 -16.005 8.188 1.00 0.00 C ATOM 425 CG LYS A 29 -20.854 -14.891 8.744 1.00 0.00 C ATOM 426 CD LYS A 29 -20.100 -13.987 9.702 1.00 0.00 C ATOM 427 CE LYS A 29 -21.031 -12.946 10.301 1.00 0.00 C ATOM 428 NZ LYS A 29 -20.366 -12.130 11.346 1.00 0.00 N ATOM 0 H LYS A 29 -20.522 -19.142 7.810 1.00 0.00 H new ATOM 0 HA LYS A 29 -21.685 -17.285 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -19.417 -16.456 9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -19.260 -15.580 7.493 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -21.246 -14.295 7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -21.711 -15.326 9.259 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -19.653 -14.583 10.497 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -19.283 -13.493 9.177 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -21.397 -12.291 9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -21.900 -13.444 10.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -21.040 -11.435 11.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -20.039 -12.750 12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -19.552 -11.633 10.932 1.00 0.00 H new ATOM 442 N SER A 30 -21.940 -15.507 6.036 1.00 0.00 N ATOM 443 CA SER A 30 -22.595 -15.028 4.828 1.00 0.00 C ATOM 444 C SER A 30 -21.602 -14.681 3.720 1.00 0.00 C ATOM 445 O SER A 30 -20.434 -14.371 3.976 1.00 0.00 O ATOM 446 CB SER A 30 -23.458 -13.814 5.169 1.00 0.00 C ATOM 447 OG SER A 30 -22.781 -12.941 6.058 1.00 0.00 O ATOM 0 H SER A 30 -22.051 -14.888 6.839 1.00 0.00 H new ATOM 0 HA SER A 30 -23.219 -15.836 4.445 1.00 0.00 H new ATOM 0 HB2 SER A 30 -23.716 -13.279 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 30 -24.394 -14.144 5.620 1.00 0.00 H new ATOM 0 HG SER A 30 -23.353 -12.171 6.260 1.00 0.00 H new ATOM 453 N GLU A 31 -22.093 -14.726 2.487 1.00 0.00 N ATOM 454 CA GLU A 31 -21.275 -14.477 1.311 1.00 0.00 C ATOM 455 C GLU A 31 -21.273 -12.993 0.961 1.00 0.00 C ATOM 456 O GLU A 31 -22.024 -12.550 0.090 1.00 0.00 O ATOM 457 CB GLU A 31 -21.805 -15.280 0.121 1.00 0.00 C ATOM 458 CG GLU A 31 -21.911 -16.771 0.386 1.00 0.00 C ATOM 459 CD GLU A 31 -22.798 -17.470 -0.621 1.00 0.00 C ATOM 460 OE1 GLU A 31 -22.330 -17.783 -1.731 1.00 0.00 O ATOM 461 OE2 GLU A 31 -23.984 -17.696 -0.308 1.00 0.00 O ATOM 0 H GLU A 31 -23.069 -14.936 2.277 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.255 -14.789 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.788 -14.899 -0.154 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.150 -15.118 -0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.916 -17.214 0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -22.306 -16.933 1.389 1.00 0.00 H new ATOM 468 N ARG A 32 -20.459 -12.220 1.660 1.00 0.00 N ATOM 469 CA ARG A 32 -20.340 -10.801 1.368 1.00 0.00 C ATOM 470 C ARG A 32 -19.422 -10.600 0.165 1.00 0.00 C ATOM 471 O ARG A 32 -18.479 -11.372 -0.028 1.00 0.00 O ATOM 472 CB ARG A 32 -19.814 -10.029 2.586 1.00 0.00 C ATOM 473 CG ARG A 32 -19.846 -8.520 2.403 1.00 0.00 C ATOM 474 CD ARG A 32 -19.493 -7.780 3.684 1.00 0.00 C ATOM 475 NE ARG A 32 -19.633 -6.333 3.520 1.00 0.00 N ATOM 476 CZ ARG A 32 -19.999 -5.499 4.490 1.00 0.00 C ATOM 477 NH1 ARG A 32 -20.198 -5.938 5.727 1.00 0.00 N ATOM 478 NH2 ARG A 32 -20.155 -4.212 4.216 1.00 0.00 N ATOM 0 H ARG A 32 -19.874 -12.548 2.429 1.00 0.00 H new ATOM 0 HA ARG A 32 -21.329 -10.409 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -20.409 -10.294 3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.790 -10.341 2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -19.147 -8.236 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -20.839 -8.217 2.072 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -20.140 -8.120 4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.469 -8.018 3.973 1.00 0.00 H new ATOM 0 HE ARG A 32 -19.437 -5.937 2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -20.070 -6.926 5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -20.478 -5.287 6.460 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.995 -3.869 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.435 -3.564 4.952 1.00 0.00 H new ATOM 492 N TRP A 33 -19.714 -9.569 -0.632 1.00 0.00 N ATOM 493 CA TRP A 33 -18.993 -9.288 -1.876 1.00 0.00 C ATOM 494 C TRP A 33 -17.481 -9.406 -1.700 1.00 0.00 C ATOM 495 O TRP A 33 -16.893 -8.803 -0.798 1.00 0.00 O ATOM 496 CB TRP A 33 -19.357 -7.894 -2.395 1.00 0.00 C ATOM 497 CG TRP A 33 -20.794 -7.769 -2.816 1.00 0.00 C ATOM 498 CD1 TRP A 33 -21.282 -7.823 -4.092 1.00 0.00 C ATOM 499 CD2 TRP A 33 -21.932 -7.568 -1.964 1.00 0.00 C ATOM 500 NE1 TRP A 33 -22.648 -7.667 -4.084 1.00 0.00 N ATOM 501 CE2 TRP A 33 -23.070 -7.514 -2.790 1.00 0.00 C ATOM 502 CE3 TRP A 33 -22.095 -7.439 -0.583 1.00 0.00 C ATOM 503 CZ2 TRP A 33 -24.353 -7.325 -2.279 1.00 0.00 C ATOM 504 CZ3 TRP A 33 -23.367 -7.253 -0.076 1.00 0.00 C ATOM 505 CH2 TRP A 33 -24.483 -7.202 -0.923 1.00 0.00 C ATOM 0 H TRP A 33 -20.460 -8.903 -0.432 1.00 0.00 H new ATOM 0 HA TRP A 33 -19.297 -10.037 -2.607 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -19.149 -7.159 -1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -18.716 -7.651 -3.242 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -20.681 -7.967 -4.978 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -23.249 -7.665 -4.908 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -21.242 -7.484 0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -25.213 -7.277 -2.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -23.504 -7.145 0.990 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -25.465 -7.063 -0.496 1.00 0.00 H new ATOM 516 N PHE A 34 -16.862 -10.196 -2.567 1.00 0.00 N ATOM 517 CA PHE A 34 -15.438 -10.480 -2.477 1.00 0.00 C ATOM 518 C PHE A 34 -14.618 -9.365 -3.114 1.00 0.00 C ATOM 519 O PHE A 34 -14.999 -8.810 -4.147 1.00 0.00 O ATOM 520 CB PHE A 34 -15.120 -11.813 -3.160 1.00 0.00 C ATOM 521 CG PHE A 34 -15.898 -12.979 -2.612 1.00 0.00 C ATOM 522 CD1 PHE A 34 -15.492 -13.614 -1.448 1.00 0.00 C ATOM 523 CD2 PHE A 34 -17.030 -13.442 -3.264 1.00 0.00 C ATOM 524 CE1 PHE A 34 -16.202 -14.686 -0.945 1.00 0.00 C ATOM 525 CE2 PHE A 34 -17.743 -14.515 -2.764 1.00 0.00 C ATOM 526 CZ PHE A 34 -17.329 -15.138 -1.604 1.00 0.00 C ATOM 0 H PHE A 34 -17.331 -10.655 -3.348 1.00 0.00 H new ATOM 0 HA PHE A 34 -15.173 -10.544 -1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.324 -11.721 -4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -14.055 -12.018 -3.056 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -14.611 -13.266 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -17.358 -12.959 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -15.876 -15.171 -0.037 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -18.624 -14.866 -3.281 1.00 0.00 H new ATOM 0 HZ PHE A 34 -17.885 -15.977 -1.212 1.00 0.00 H new ATOM 536 N ARG A 35 -13.490 -9.042 -2.494 1.00 0.00 N ATOM 537 CA ARG A 35 -12.586 -8.028 -3.026 1.00 0.00 C ATOM 538 C ARG A 35 -11.144 -8.537 -3.019 1.00 0.00 C ATOM 539 O ARG A 35 -10.404 -8.340 -2.055 1.00 0.00 O ATOM 540 CB ARG A 35 -12.705 -6.689 -2.261 1.00 0.00 C ATOM 541 CG ARG A 35 -12.605 -6.799 -0.740 1.00 0.00 C ATOM 542 CD ARG A 35 -13.919 -7.238 -0.109 1.00 0.00 C ATOM 543 NE ARG A 35 -13.813 -7.364 1.345 1.00 0.00 N ATOM 544 CZ ARG A 35 -14.518 -8.226 2.076 1.00 0.00 C ATOM 545 NH1 ARG A 35 -15.439 -8.993 1.502 1.00 0.00 N ATOM 546 NH2 ARG A 35 -14.316 -8.306 3.388 1.00 0.00 N ATOM 0 H ARG A 35 -13.178 -9.468 -1.621 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.880 -7.834 -4.058 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.923 -6.017 -2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.660 -6.228 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.822 -7.512 -0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.309 -5.835 -0.326 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -14.698 -6.516 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.224 -8.194 -0.535 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.157 -6.752 1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.608 -8.923 0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -15.977 -9.652 2.065 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -13.621 -7.707 3.834 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -14.856 -8.966 3.948 1.00 0.00 H new ATOM 560 N PRO A 36 -10.751 -9.264 -4.076 1.00 0.00 N ATOM 561 CA PRO A 36 -9.375 -9.735 -4.244 1.00 0.00 C ATOM 562 C PRO A 36 -8.444 -8.589 -4.618 1.00 0.00 C ATOM 563 O PRO A 36 -7.282 -8.552 -4.209 1.00 0.00 O ATOM 564 CB PRO A 36 -9.465 -10.749 -5.396 1.00 0.00 C ATOM 565 CG PRO A 36 -10.925 -10.956 -5.643 1.00 0.00 C ATOM 566 CD PRO A 36 -11.607 -9.703 -5.180 1.00 0.00 C ATOM 0 HA PRO A 36 -8.972 -10.167 -3.328 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -8.967 -10.371 -6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.976 -11.687 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -11.119 -11.138 -6.700 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.293 -11.825 -5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.663 -8.956 -5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.628 -9.895 -4.850 1.00 0.00 H new ATOM 574 N ASN A 37 -8.968 -7.656 -5.401 1.00 0.00 N ATOM 575 CA ASN A 37 -8.230 -6.457 -5.761 1.00 0.00 C ATOM 576 C ASN A 37 -8.394 -5.418 -4.663 1.00 0.00 C ATOM 577 O ASN A 37 -8.943 -5.726 -3.604 1.00 0.00 O ATOM 578 CB ASN A 37 -8.714 -5.900 -7.104 1.00 0.00 C ATOM 579 CG ASN A 37 -8.440 -6.850 -8.257 1.00 0.00 C ATOM 580 OD1 ASN A 37 -9.272 -7.698 -8.585 1.00 0.00 O ATOM 581 ND2 ASN A 37 -7.276 -6.723 -8.878 1.00 0.00 N ATOM 0 H ASN A 37 -9.905 -7.709 -5.800 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.175 -6.708 -5.867 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.784 -5.701 -7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.222 -4.947 -7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.043 -7.340 -9.657 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.613 -6.009 -8.577 1.00 0.00 H new ATOM 588 N LEU A 38 -7.928 -4.195 -4.926 1.00 0.00 N ATOM 589 CA LEU A 38 -7.923 -3.130 -3.923 1.00 0.00 C ATOM 590 C LEU A 38 -6.926 -3.452 -2.822 1.00 0.00 C ATOM 591 O LEU A 38 -7.146 -4.330 -1.988 1.00 0.00 O ATOM 592 CB LEU A 38 -9.325 -2.906 -3.343 1.00 0.00 C ATOM 593 CG LEU A 38 -10.252 -2.054 -4.209 1.00 0.00 C ATOM 594 CD1 LEU A 38 -11.685 -2.133 -3.702 1.00 0.00 C ATOM 595 CD2 LEU A 38 -9.780 -0.608 -4.228 1.00 0.00 C ATOM 0 H LEU A 38 -7.547 -3.918 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.618 -2.204 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.794 -3.876 -3.180 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.227 -2.432 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.224 -2.445 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.328 -1.519 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.026 -3.168 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.728 -1.768 -2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.451 -0.014 -4.849 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.780 -0.212 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.770 -0.560 -4.636 1.00 0.00 H new ATOM 607 N GLN A 39 -5.822 -2.735 -2.835 1.00 0.00 N ATOM 608 CA GLN A 39 -4.719 -3.010 -1.937 1.00 0.00 C ATOM 609 C GLN A 39 -5.037 -2.472 -0.552 1.00 0.00 C ATOM 610 O GLN A 39 -4.826 -1.294 -0.265 1.00 0.00 O ATOM 611 CB GLN A 39 -3.437 -2.373 -2.471 1.00 0.00 C ATOM 612 CG GLN A 39 -3.303 -2.422 -3.992 1.00 0.00 C ATOM 613 CD GLN A 39 -2.735 -3.725 -4.535 1.00 0.00 C ATOM 614 OE1 GLN A 39 -2.108 -3.733 -5.594 1.00 0.00 O ATOM 615 NE2 GLN A 39 -2.942 -4.827 -3.831 1.00 0.00 N ATOM 0 H GLN A 39 -5.664 -1.949 -3.465 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.571 -4.088 -1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.398 -1.333 -2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.580 -2.878 -2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.285 -2.256 -4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.664 -1.600 -4.314 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.466 -4.783 -2.957 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.577 -5.720 -4.162 1.00 0.00 H new ATOM 624 N LYS A 40 -5.588 -3.332 0.280 1.00 0.00 N ATOM 625 CA LYS A 40 -5.958 -2.951 1.631 1.00 0.00 C ATOM 626 C LYS A 40 -4.731 -2.909 2.532 1.00 0.00 C ATOM 627 O LYS A 40 -4.140 -3.939 2.859 1.00 0.00 O ATOM 628 CB LYS A 40 -7.009 -3.919 2.197 1.00 0.00 C ATOM 629 CG LYS A 40 -6.670 -5.387 1.982 1.00 0.00 C ATOM 630 CD LYS A 40 -7.657 -6.305 2.687 1.00 0.00 C ATOM 631 CE LYS A 40 -7.366 -7.769 2.391 1.00 0.00 C ATOM 632 NZ LYS A 40 -5.940 -8.119 2.637 1.00 0.00 N ATOM 0 H LYS A 40 -5.791 -4.304 0.045 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.393 -1.952 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.122 -3.734 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.972 -3.706 1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.668 -5.607 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.663 -5.585 2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.610 -6.134 3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.671 -6.063 2.369 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.005 -8.397 3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.618 -7.985 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.875 -9.107 2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.397 -8.002 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.550 -7.493 3.370 1.00 0.00 H new ATOM 646 N VAL A 41 -4.349 -1.708 2.920 1.00 0.00 N ATOM 647 CA VAL A 41 -3.187 -1.513 3.767 1.00 0.00 C ATOM 648 C VAL A 41 -3.530 -0.613 4.944 1.00 0.00 C ATOM 649 O VAL A 41 -4.527 0.111 4.915 1.00 0.00 O ATOM 650 CB VAL A 41 -2.002 -0.898 2.988 1.00 0.00 C ATOM 651 CG1 VAL A 41 -1.531 -1.837 1.888 1.00 0.00 C ATOM 652 CG2 VAL A 41 -2.378 0.454 2.401 1.00 0.00 C ATOM 0 H VAL A 41 -4.830 -0.847 2.660 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.888 -2.497 4.128 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.183 -0.751 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.697 -1.382 1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.209 -2.781 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.349 -2.022 1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.527 0.864 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.219 0.333 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.658 1.135 3.205 1.00 0.00 H new ATOM 662 N ARG A 42 -2.712 -0.669 5.979 1.00 0.00 N ATOM 663 CA ARG A 42 -2.900 0.183 7.140 1.00 0.00 C ATOM 664 C ARG A 42 -2.047 1.438 7.030 1.00 0.00 C ATOM 665 O ARG A 42 -0.837 1.363 6.811 1.00 0.00 O ATOM 666 CB ARG A 42 -2.575 -0.566 8.435 1.00 0.00 C ATOM 667 CG ARG A 42 -1.386 -1.510 8.329 1.00 0.00 C ATOM 668 CD ARG A 42 -0.819 -1.853 9.699 1.00 0.00 C ATOM 669 NE ARG A 42 -1.862 -2.073 10.702 1.00 0.00 N ATOM 670 CZ ARG A 42 -1.619 -2.489 11.945 1.00 0.00 C ATOM 671 NH1 ARG A 42 -0.392 -2.871 12.295 1.00 0.00 N ATOM 672 NH2 ARG A 42 -2.609 -2.550 12.826 1.00 0.00 N ATOM 0 H ARG A 42 -1.910 -1.296 6.040 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.950 0.475 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.378 0.161 9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.452 -1.137 8.741 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -1.691 -2.425 7.822 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.609 -1.050 7.718 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -0.203 -2.748 9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.166 -1.045 10.030 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.831 -1.898 10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.365 -2.846 11.611 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.209 -3.189 13.247 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.553 -2.279 12.552 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.426 -2.868 13.778 1.00 0.00 H new ATOM 686 N VAL A 43 -2.683 2.585 7.173 1.00 0.00 N ATOM 687 CA VAL A 43 -1.987 3.857 7.111 1.00 0.00 C ATOM 688 C VAL A 43 -2.232 4.648 8.389 1.00 0.00 C ATOM 689 O VAL A 43 -3.229 4.418 9.083 1.00 0.00 O ATOM 690 CB VAL A 43 -2.435 4.697 5.893 1.00 0.00 C ATOM 691 CG1 VAL A 43 -2.131 3.968 4.593 1.00 0.00 C ATOM 692 CG2 VAL A 43 -3.919 5.030 5.985 1.00 0.00 C ATOM 0 H VAL A 43 -3.687 2.662 7.334 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.923 3.644 7.003 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.873 5.631 5.900 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.455 4.578 3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.059 3.787 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.661 3.016 4.577 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.214 5.622 5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.498 4.107 6.008 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.108 5.600 6.895 1.00 0.00 H new ATOM 702 N VAL A 44 -1.322 5.560 8.707 1.00 0.00 N ATOM 703 CA VAL A 44 -1.478 6.396 9.888 1.00 0.00 C ATOM 704 C VAL A 44 -1.793 7.835 9.485 1.00 0.00 C ATOM 705 O VAL A 44 -1.051 8.474 8.735 1.00 0.00 O ATOM 706 CB VAL A 44 -0.237 6.347 10.818 1.00 0.00 C ATOM 707 CG1 VAL A 44 1.027 6.794 10.099 1.00 0.00 C ATOM 708 CG2 VAL A 44 -0.464 7.177 12.077 1.00 0.00 C ATOM 0 H VAL A 44 -0.475 5.738 8.168 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.316 5.994 10.457 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.096 5.307 11.113 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.873 6.745 10.785 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.212 6.139 9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.903 7.819 9.748 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.421 7.125 12.711 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.652 8.214 11.800 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.324 6.785 12.621 1.00 0.00 H new ATOM 718 N LEU A 45 -2.921 8.321 9.972 1.00 0.00 N ATOM 719 CA LEU A 45 -3.374 9.661 9.665 1.00 0.00 C ATOM 720 C LEU A 45 -2.633 10.680 10.520 1.00 0.00 C ATOM 721 O LEU A 45 -2.362 10.429 11.696 1.00 0.00 O ATOM 722 CB LEU A 45 -4.880 9.771 9.905 1.00 0.00 C ATOM 723 CG LEU A 45 -5.750 8.878 9.012 1.00 0.00 C ATOM 724 CD1 LEU A 45 -7.220 9.038 9.360 1.00 0.00 C ATOM 725 CD2 LEU A 45 -5.517 9.198 7.546 1.00 0.00 C ATOM 0 H LEU A 45 -3.544 7.799 10.588 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.165 9.869 8.616 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.085 9.525 10.947 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.181 10.808 9.757 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.465 7.841 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.819 8.396 8.714 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.380 8.757 10.401 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.517 10.077 9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.143 8.554 6.929 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.771 10.241 7.356 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.469 9.029 7.299 1.00 0.00 H new ATOM 737 N PRO A 46 -2.328 11.851 9.944 1.00 0.00 N ATOM 738 CA PRO A 46 -1.557 12.898 10.623 1.00 0.00 C ATOM 739 C PRO A 46 -2.273 13.459 11.848 1.00 0.00 C ATOM 740 O PRO A 46 -1.647 14.025 12.740 1.00 0.00 O ATOM 741 CB PRO A 46 -1.396 13.983 9.554 1.00 0.00 C ATOM 742 CG PRO A 46 -2.490 13.728 8.577 1.00 0.00 C ATOM 743 CD PRO A 46 -2.702 12.245 8.574 1.00 0.00 C ATOM 0 HA PRO A 46 -0.611 12.513 11.004 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.479 14.980 9.988 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.418 13.924 9.076 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.401 14.252 8.866 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.218 14.085 7.584 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.737 11.986 8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.080 11.750 7.828 1.00 0.00 H new ATOM 751 N ASP A 47 -3.589 13.290 11.886 1.00 0.00 N ATOM 752 CA ASP A 47 -4.384 13.776 13.010 1.00 0.00 C ATOM 753 C ASP A 47 -4.202 12.861 14.215 1.00 0.00 C ATOM 754 O ASP A 47 -4.368 13.279 15.359 1.00 0.00 O ATOM 755 CB ASP A 47 -5.864 13.841 12.631 1.00 0.00 C ATOM 756 CG ASP A 47 -6.680 14.685 13.594 1.00 0.00 C ATOM 757 OD1 ASP A 47 -7.166 14.152 14.612 1.00 0.00 O ATOM 758 OD2 ASP A 47 -6.845 15.893 13.325 1.00 0.00 O ATOM 0 H ASP A 47 -4.127 12.823 11.156 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.042 14.779 13.266 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.959 14.250 11.625 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.272 12.831 12.604 1.00 0.00 H new ATOM 763 N GLY A 48 -3.826 11.618 13.947 1.00 0.00 N ATOM 764 CA GLY A 48 -3.677 10.642 15.004 1.00 0.00 C ATOM 765 C GLY A 48 -4.661 9.499 14.854 1.00 0.00 C ATOM 766 O GLY A 48 -5.584 9.354 15.656 1.00 0.00 O ATOM 0 H GLY A 48 -3.621 11.268 13.011 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.660 10.250 14.997 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.825 11.126 15.970 1.00 0.00 H new ATOM 770 N THR A 49 -4.492 8.702 13.809 1.00 0.00 N ATOM 771 CA THR A 49 -5.357 7.551 13.582 1.00 0.00 C ATOM 772 C THR A 49 -4.615 6.487 12.784 1.00 0.00 C ATOM 773 O THR A 49 -3.683 6.797 12.052 1.00 0.00 O ATOM 774 CB THR A 49 -6.635 7.942 12.812 1.00 0.00 C ATOM 775 OG1 THR A 49 -7.139 9.193 13.297 1.00 0.00 O ATOM 776 CG2 THR A 49 -7.715 6.878 12.960 1.00 0.00 C ATOM 0 H THR A 49 -3.765 8.830 13.105 1.00 0.00 H new ATOM 0 HA THR A 49 -5.641 7.163 14.560 1.00 0.00 H new ATOM 0 HB THR A 49 -6.373 8.031 11.758 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.949 9.434 12.801 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.603 7.182 12.406 1.00 0.00 H new ATOM 0 HG22 THR A 49 -7.348 5.930 12.566 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.967 6.760 14.014 1.00 0.00 H new ATOM 784 N ILE A 50 -5.032 5.245 12.938 1.00 0.00 N ATOM 785 CA ILE A 50 -4.457 4.137 12.184 1.00 0.00 C ATOM 786 C ILE A 50 -5.585 3.306 11.594 1.00 0.00 C ATOM 787 O ILE A 50 -6.348 2.683 12.330 1.00 0.00 O ATOM 788 CB ILE A 50 -3.563 3.233 13.068 1.00 0.00 C ATOM 789 CG1 ILE A 50 -2.457 4.058 13.732 1.00 0.00 C ATOM 790 CG2 ILE A 50 -2.957 2.107 12.241 1.00 0.00 C ATOM 791 CD1 ILE A 50 -1.581 3.266 14.684 1.00 0.00 C ATOM 0 H ILE A 50 -5.773 4.972 13.583 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.828 4.554 11.397 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.185 2.794 13.848 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.829 4.495 12.956 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.913 4.885 14.277 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.332 1.482 12.879 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.755 1.502 11.810 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.350 2.530 11.441 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.823 3.922 15.112 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.195 2.851 15.483 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.095 2.455 14.142 1.00 0.00 H new ATOM 803 N LYS A 51 -5.704 3.305 10.278 1.00 0.00 N ATOM 804 CA LYS A 51 -6.840 2.669 9.631 1.00 0.00 C ATOM 805 C LYS A 51 -6.397 1.824 8.446 1.00 0.00 C ATOM 806 O LYS A 51 -5.410 2.140 7.781 1.00 0.00 O ATOM 807 CB LYS A 51 -7.833 3.737 9.168 1.00 0.00 C ATOM 808 CG LYS A 51 -9.197 3.185 8.791 1.00 0.00 C ATOM 809 CD LYS A 51 -10.113 4.274 8.253 1.00 0.00 C ATOM 810 CE LYS A 51 -11.557 3.802 8.182 1.00 0.00 C ATOM 811 NZ LYS A 51 -12.137 3.609 9.538 1.00 0.00 N ATOM 0 H LYS A 51 -5.034 3.734 9.640 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.321 2.010 10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.956 4.473 9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -7.414 4.261 8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.079 2.404 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.656 2.721 9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.048 5.155 8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.778 4.575 7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.152 4.531 7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.607 2.865 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.175 3.589 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.798 2.710 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.845 4.393 10.155 1.00 0.00 H new ATOM 825 N ARG A 52 -7.128 0.746 8.192 1.00 0.00 N ATOM 826 CA ARG A 52 -6.869 -0.099 7.036 1.00 0.00 C ATOM 827 C ARG A 52 -7.847 0.264 5.929 1.00 0.00 C ATOM 828 O ARG A 52 -9.060 0.166 6.114 1.00 0.00 O ATOM 829 CB ARG A 52 -7.027 -1.580 7.388 1.00 0.00 C ATOM 830 CG ARG A 52 -6.378 -1.970 8.702 1.00 0.00 C ATOM 831 CD ARG A 52 -6.520 -3.458 8.969 1.00 0.00 C ATOM 832 NE ARG A 52 -6.487 -3.750 10.399 1.00 0.00 N ATOM 833 CZ ARG A 52 -6.033 -4.878 10.942 1.00 0.00 C ATOM 834 NH1 ARG A 52 -5.540 -5.851 10.183 1.00 0.00 N ATOM 835 NH2 ARG A 52 -6.084 -5.030 12.260 1.00 0.00 N ATOM 0 H ARG A 52 -7.907 0.437 8.774 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.843 0.066 6.707 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.089 -1.822 7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.596 -2.182 6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.322 -1.701 8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.834 -1.407 9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.458 -3.817 8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.716 -3.997 8.468 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.840 -3.033 11.033 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.506 -5.740 9.170 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.196 -6.709 10.614 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.468 -4.287 12.845 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.739 -5.889 12.688 1.00 0.00 H new ATOM 849 N MET A 53 -7.325 0.691 4.794 1.00 0.00 N ATOM 850 CA MET A 53 -8.166 1.116 3.685 1.00 0.00 C ATOM 851 C MET A 53 -7.701 0.490 2.384 1.00 0.00 C ATOM 852 O MET A 53 -6.546 0.078 2.254 1.00 0.00 O ATOM 853 CB MET A 53 -8.191 2.647 3.556 1.00 0.00 C ATOM 854 CG MET A 53 -8.939 3.351 4.677 1.00 0.00 C ATOM 855 SD MET A 53 -9.098 5.129 4.408 1.00 0.00 S ATOM 856 CE MET A 53 -7.376 5.619 4.350 1.00 0.00 C ATOM 0 H MET A 53 -6.323 0.754 4.614 1.00 0.00 H new ATOM 0 HA MET A 53 -9.180 0.775 3.895 1.00 0.00 H new ATOM 0 HB2 MET A 53 -7.166 3.016 3.530 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.650 2.913 2.604 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.932 2.913 4.775 1.00 0.00 H new ATOM 0 HG3 MET A 53 -8.420 3.176 5.619 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.301 6.699 4.475 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.829 5.122 5.151 1.00 0.00 H new ATOM 0 HE3 MET A 53 -6.949 5.334 3.389 1.00 0.00 H new ATOM 866 N ARG A 54 -8.615 0.420 1.431 1.00 0.00 N ATOM 867 CA ARG A 54 -8.341 -0.167 0.134 1.00 0.00 C ATOM 868 C ARG A 54 -7.773 0.881 -0.816 1.00 0.00 C ATOM 869 O ARG A 54 -8.486 1.754 -1.321 1.00 0.00 O ATOM 870 CB ARG A 54 -9.618 -0.783 -0.430 1.00 0.00 C ATOM 871 CG ARG A 54 -10.097 -1.990 0.368 1.00 0.00 C ATOM 872 CD ARG A 54 -11.596 -2.207 0.237 1.00 0.00 C ATOM 873 NE ARG A 54 -12.358 -1.193 0.966 1.00 0.00 N ATOM 874 CZ ARG A 54 -13.648 -1.307 1.292 1.00 0.00 C ATOM 875 NH1 ARG A 54 -14.335 -2.384 0.949 1.00 0.00 N ATOM 876 NH2 ARG A 54 -14.251 -0.339 1.969 1.00 0.00 N ATOM 0 H ARG A 54 -9.568 0.769 1.536 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.595 -0.954 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -10.404 -0.028 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -9.445 -1.083 -1.464 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.571 -2.881 0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.842 -1.853 1.419 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -11.876 -2.184 -0.816 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.854 -3.197 0.614 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.871 -0.341 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.880 -3.136 0.431 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.320 -2.463 1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.729 0.494 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.236 -0.428 2.217 1.00 0.00 H new ATOM 890 N VAL A 55 -6.474 0.799 -1.023 1.00 0.00 N ATOM 891 CA VAL A 55 -5.770 1.732 -1.886 1.00 0.00 C ATOM 892 C VAL A 55 -5.557 1.105 -3.262 1.00 0.00 C ATOM 893 O VAL A 55 -5.540 -0.114 -3.398 1.00 0.00 O ATOM 894 CB VAL A 55 -4.400 2.133 -1.283 1.00 0.00 C ATOM 895 CG1 VAL A 55 -3.765 3.278 -2.058 1.00 0.00 C ATOM 896 CG2 VAL A 55 -4.547 2.504 0.188 1.00 0.00 C ATOM 0 H VAL A 55 -5.877 0.088 -0.601 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.380 2.631 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.740 1.269 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.806 3.534 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.611 2.975 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.423 4.147 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.574 2.782 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.234 3.345 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.939 1.650 0.741 1.00 0.00 H new ATOM 906 N CYS A 56 -5.426 1.930 -4.283 1.00 0.00 N ATOM 907 CA CYS A 56 -5.155 1.424 -5.617 1.00 0.00 C ATOM 908 C CYS A 56 -3.652 1.330 -5.848 1.00 0.00 C ATOM 909 O CYS A 56 -2.879 2.103 -5.277 1.00 0.00 O ATOM 910 CB CYS A 56 -5.802 2.313 -6.680 1.00 0.00 C ATOM 911 SG CYS A 56 -5.209 4.018 -6.691 1.00 0.00 S ATOM 0 H CYS A 56 -5.502 2.945 -4.217 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.588 0.427 -5.700 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.624 1.873 -7.661 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.881 2.318 -6.524 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.833 4.354 -5.493 1.00 0.00 H new ATOM 917 N THR A 57 -3.250 0.376 -6.673 1.00 0.00 N ATOM 918 CA THR A 57 -1.844 0.169 -7.001 1.00 0.00 C ATOM 919 C THR A 57 -1.224 1.437 -7.598 1.00 0.00 C ATOM 920 O THR A 57 -0.029 1.687 -7.443 1.00 0.00 O ATOM 921 CB THR A 57 -1.699 -0.989 -8.006 1.00 0.00 C ATOM 922 OG1 THR A 57 -2.650 -2.022 -7.696 1.00 0.00 O ATOM 923 CG2 THR A 57 -0.296 -1.570 -7.973 1.00 0.00 C ATOM 0 H THR A 57 -3.885 -0.276 -7.134 1.00 0.00 H new ATOM 0 HA THR A 57 -1.319 -0.077 -6.078 1.00 0.00 H new ATOM 0 HB THR A 57 -1.888 -0.597 -9.005 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.326 -2.547 -6.935 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.223 -2.386 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.425 -0.794 -8.230 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.082 -1.948 -6.973 1.00 0.00 H new ATOM 931 N SER A 58 -2.046 2.235 -8.270 1.00 0.00 N ATOM 932 CA SER A 58 -1.590 3.475 -8.879 1.00 0.00 C ATOM 933 C SER A 58 -1.080 4.451 -7.811 1.00 0.00 C ATOM 934 O SER A 58 0.012 5.009 -7.936 1.00 0.00 O ATOM 935 CB SER A 58 -2.741 4.092 -9.672 1.00 0.00 C ATOM 936 OG SER A 58 -3.398 3.097 -10.444 1.00 0.00 O ATOM 0 H SER A 58 -3.038 2.042 -8.406 1.00 0.00 H new ATOM 0 HA SER A 58 -0.760 3.263 -9.553 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.451 4.561 -8.990 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.361 4.877 -10.326 1.00 0.00 H new ATOM 0 HG SER A 58 -4.134 3.505 -10.946 1.00 0.00 H new ATOM 942 N CYS A 59 -1.862 4.628 -6.748 1.00 0.00 N ATOM 943 CA CYS A 59 -1.462 5.465 -5.626 1.00 0.00 C ATOM 944 C CYS A 59 -0.248 4.865 -4.925 1.00 0.00 C ATOM 945 O CYS A 59 0.612 5.592 -4.425 1.00 0.00 O ATOM 946 CB CYS A 59 -2.620 5.622 -4.640 1.00 0.00 C ATOM 947 SG CYS A 59 -3.984 6.634 -5.258 1.00 0.00 S ATOM 0 H CYS A 59 -2.781 4.199 -6.643 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.193 6.451 -6.006 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.002 4.634 -4.385 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.241 6.065 -3.719 1.00 0.00 H new ATOM 0 HG CYS A 59 -4.671 5.953 -6.126 1.00 0.00 H new ATOM 953 N LEU A 60 -0.191 3.538 -4.895 1.00 0.00 N ATOM 954 CA LEU A 60 0.947 2.829 -4.323 1.00 0.00 C ATOM 955 C LEU A 60 2.233 3.163 -5.076 1.00 0.00 C ATOM 956 O LEU A 60 3.238 3.542 -4.474 1.00 0.00 O ATOM 957 CB LEU A 60 0.697 1.318 -4.348 1.00 0.00 C ATOM 958 CG LEU A 60 -0.379 0.811 -3.385 1.00 0.00 C ATOM 959 CD1 LEU A 60 -0.386 -0.707 -3.362 1.00 0.00 C ATOM 960 CD2 LEU A 60 -0.158 1.365 -1.985 1.00 0.00 C ATOM 0 H LEU A 60 -0.923 2.930 -5.262 1.00 0.00 H new ATOM 0 HA LEU A 60 1.064 3.152 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.417 1.031 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.633 0.809 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.349 1.161 -3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.155 -1.057 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.595 -1.085 -4.363 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.588 -1.070 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.935 0.991 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.818 1.048 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.199 2.454 -2.014 1.00 0.00 H new ATOM 972 N LYS A 61 2.187 3.045 -6.396 1.00 0.00 N ATOM 973 CA LYS A 61 3.339 3.346 -7.241 1.00 0.00 C ATOM 974 C LYS A 61 3.688 4.831 -7.187 1.00 0.00 C ATOM 975 O LYS A 61 4.852 5.211 -7.334 1.00 0.00 O ATOM 976 CB LYS A 61 3.062 2.932 -8.690 1.00 0.00 C ATOM 977 CG LYS A 61 2.994 1.425 -8.902 1.00 0.00 C ATOM 978 CD LYS A 61 4.352 0.761 -8.706 1.00 0.00 C ATOM 979 CE LYS A 61 5.383 1.288 -9.697 1.00 0.00 C ATOM 980 NZ LYS A 61 6.691 0.596 -9.563 1.00 0.00 N ATOM 0 H LYS A 61 1.360 2.741 -6.909 1.00 0.00 H new ATOM 0 HA LYS A 61 4.188 2.777 -6.861 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.120 3.376 -9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.842 3.344 -9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.275 0.993 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.630 1.216 -9.908 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.701 0.938 -7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.251 -0.318 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.008 1.160 -10.712 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.522 2.358 -9.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.362 0.985 -10.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.063 0.739 -8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.565 -0.421 -9.737 1.00 0.00 H new ATOM 994 N SER A 62 2.679 5.665 -6.979 1.00 0.00 N ATOM 995 CA SER A 62 2.869 7.107 -6.930 1.00 0.00 C ATOM 996 C SER A 62 3.468 7.535 -5.587 1.00 0.00 C ATOM 997 O SER A 62 4.230 8.501 -5.519 1.00 0.00 O ATOM 998 CB SER A 62 1.531 7.816 -7.174 1.00 0.00 C ATOM 999 OG SER A 62 1.699 9.219 -7.283 1.00 0.00 O ATOM 0 H SER A 62 1.714 5.365 -6.841 1.00 0.00 H new ATOM 0 HA SER A 62 3.570 7.393 -7.714 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.075 7.431 -8.086 1.00 0.00 H new ATOM 0 HB3 SER A 62 0.845 7.593 -6.356 1.00 0.00 H new ATOM 0 HG SER A 62 0.829 9.641 -7.440 1.00 0.00 H new ATOM 1005 N GLY A 63 3.136 6.806 -4.527 1.00 0.00 N ATOM 1006 CA GLY A 63 3.609 7.166 -3.204 1.00 0.00 C ATOM 1007 C GLY A 63 2.849 8.353 -2.644 1.00 0.00 C ATOM 1008 O GLY A 63 3.391 9.145 -1.871 1.00 0.00 O ATOM 0 H GLY A 63 2.548 5.973 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.500 6.314 -2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.672 7.402 -3.249 1.00 0.00 H new ATOM 1012 N LYS A 64 1.586 8.463 -3.032 1.00 0.00 N ATOM 1013 CA LYS A 64 0.755 9.593 -2.638 1.00 0.00 C ATOM 1014 C LYS A 64 0.241 9.420 -1.210 1.00 0.00 C ATOM 1015 O LYS A 64 -0.059 10.395 -0.523 1.00 0.00 O ATOM 1016 CB LYS A 64 -0.419 9.736 -3.606 1.00 0.00 C ATOM 1017 CG LYS A 64 -1.278 10.967 -3.362 1.00 0.00 C ATOM 1018 CD LYS A 64 -2.439 11.024 -4.337 1.00 0.00 C ATOM 1019 CE LYS A 64 -3.311 12.249 -4.110 1.00 0.00 C ATOM 1020 NZ LYS A 64 -2.578 13.516 -4.354 1.00 0.00 N ATOM 0 H LYS A 64 1.112 7.780 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 64 1.363 10.497 -2.673 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.034 9.771 -4.625 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.047 8.848 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.657 10.953 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.669 11.865 -3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.056 11.035 -5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -3.044 10.123 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.179 12.201 -4.768 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.686 12.240 -3.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.249 14.311 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.872 13.658 -3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.099 13.468 -5.276 1.00 0.00 H new ATOM 1034 N VAL A 65 0.148 8.175 -0.768 1.00 0.00 N ATOM 1035 CA VAL A 65 -0.330 7.881 0.573 1.00 0.00 C ATOM 1036 C VAL A 65 0.760 8.159 1.605 1.00 0.00 C ATOM 1037 O VAL A 65 1.941 7.940 1.347 1.00 0.00 O ATOM 1038 CB VAL A 65 -0.809 6.417 0.701 1.00 0.00 C ATOM 1039 CG1 VAL A 65 -2.019 6.174 -0.187 1.00 0.00 C ATOM 1040 CG2 VAL A 65 0.308 5.441 0.355 1.00 0.00 C ATOM 0 H VAL A 65 0.397 7.353 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.181 8.535 0.763 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.096 6.247 1.739 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.343 5.138 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.829 6.839 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -1.753 6.370 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.058 4.419 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.635 5.611 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.147 5.593 1.034 1.00 0.00 H new ATOM 1050 N LYS A 66 0.355 8.650 2.768 1.00 0.00 N ATOM 1051 CA LYS A 66 1.296 8.980 3.833 1.00 0.00 C ATOM 1052 C LYS A 66 1.676 7.732 4.627 1.00 0.00 C ATOM 1053 O LYS A 66 2.523 7.787 5.521 1.00 0.00 O ATOM 1054 CB LYS A 66 0.709 10.050 4.754 1.00 0.00 C ATOM 1055 CG LYS A 66 0.354 11.337 4.025 1.00 0.00 C ATOM 1056 CD LYS A 66 1.564 11.918 3.306 1.00 0.00 C ATOM 1057 CE LYS A 66 1.201 13.139 2.475 1.00 0.00 C ATOM 1058 NZ LYS A 66 0.740 14.273 3.317 1.00 0.00 N ATOM 0 H LYS A 66 -0.622 8.830 3.000 1.00 0.00 H new ATOM 0 HA LYS A 66 2.202 9.379 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.185 9.655 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.426 10.273 5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.441 11.142 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.033 12.066 4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.324 12.191 4.038 1.00 0.00 H new ATOM 0 HD3 LYS A 66 2.002 11.157 2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.068 13.450 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.418 12.874 1.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.584 15.109 2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.150 14.015 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.462 14.490 4.033 1.00 0.00 H new ATOM 1072 N LYS A 67 1.036 6.614 4.262 1.00 0.00 N ATOM 1073 CA LYS A 67 1.322 5.271 4.794 1.00 0.00 C ATOM 1074 C LYS A 67 1.479 5.219 6.317 1.00 0.00 C ATOM 1075 O LYS A 67 1.047 6.111 7.043 1.00 0.00 O ATOM 1076 CB LYS A 67 2.546 4.623 4.102 1.00 0.00 C ATOM 1077 CG LYS A 67 3.834 5.441 4.123 1.00 0.00 C ATOM 1078 CD LYS A 67 4.006 6.247 2.841 1.00 0.00 C ATOM 1079 CE LYS A 67 5.193 7.193 2.926 1.00 0.00 C ATOM 1080 NZ LYS A 67 5.394 7.959 1.667 1.00 0.00 N ATOM 0 H LYS A 67 0.286 6.616 3.571 1.00 0.00 H new ATOM 0 HA LYS A 67 0.433 4.686 4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.741 3.662 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.286 4.418 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.824 6.115 4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.687 4.775 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.142 5.568 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.099 6.818 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.043 7.888 3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.094 6.623 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.214 8.590 1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.564 7.298 0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.545 8.525 1.466 1.00 0.00 H new ATOM 1094 N TYR A 68 2.040 4.112 6.781 1.00 0.00 N ATOM 1095 CA TYR A 68 2.249 3.858 8.202 1.00 0.00 C ATOM 1096 C TYR A 68 3.593 3.147 8.382 1.00 0.00 C ATOM 1097 O TYR A 68 3.902 2.617 9.444 1.00 0.00 O ATOM 1098 CB TYR A 68 1.072 3.014 8.730 1.00 0.00 C ATOM 1099 CG TYR A 68 1.226 2.450 10.131 1.00 0.00 C ATOM 1100 CD1 TYR A 68 1.379 3.275 11.239 1.00 0.00 C ATOM 1101 CD2 TYR A 68 1.223 1.076 10.336 1.00 0.00 C ATOM 1102 CE1 TYR A 68 1.522 2.746 12.510 1.00 0.00 C ATOM 1103 CE2 TYR A 68 1.366 0.538 11.598 1.00 0.00 C ATOM 1104 CZ TYR A 68 1.515 1.376 12.683 1.00 0.00 C ATOM 1105 OH TYR A 68 1.663 0.835 13.941 1.00 0.00 O ATOM 0 H TYR A 68 2.366 3.357 6.178 1.00 0.00 H new ATOM 0 HA TYR A 68 2.281 4.787 8.772 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.172 3.628 8.705 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.910 2.184 8.042 1.00 0.00 H new ATOM 0 HD1 TYR A 68 1.386 4.347 11.106 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.106 0.415 9.490 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.638 3.401 13.361 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.361 -0.533 11.736 1.00 0.00 H new ATOM 0 HH TYR A 68 1.634 -0.143 13.882 1.00 0.00 H new ATOM 1115 N VAL A 69 4.404 3.180 7.326 1.00 0.00 N ATOM 1116 CA VAL A 69 5.681 2.463 7.291 1.00 0.00 C ATOM 1117 C VAL A 69 5.423 0.953 7.398 1.00 0.00 C ATOM 1118 O VAL A 69 6.306 0.169 7.751 1.00 0.00 O ATOM 1119 CB VAL A 69 6.649 2.937 8.415 1.00 0.00 C ATOM 1120 CG1 VAL A 69 8.065 2.417 8.184 1.00 0.00 C ATOM 1121 CG2 VAL A 69 6.656 4.459 8.506 1.00 0.00 C ATOM 0 H VAL A 69 4.198 3.701 6.474 1.00 0.00 H new ATOM 0 HA VAL A 69 6.168 2.684 6.341 1.00 0.00 H new ATOM 0 HB VAL A 69 6.288 2.527 9.359 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.716 2.766 8.986 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.055 1.327 8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.437 2.786 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.338 4.773 9.296 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.985 4.879 7.555 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.651 4.815 8.731 1.00 0.00 H new ATOM 1131 N GLY A 70 4.196 0.558 7.067 1.00 0.00 N ATOM 1132 CA GLY A 70 3.831 -0.843 7.079 1.00 0.00 C ATOM 1133 C GLY A 70 4.613 -1.635 6.059 1.00 0.00 C ATOM 1134 O GLY A 70 4.810 -1.178 4.932 1.00 0.00 O ATOM 0 H GLY A 70 3.446 1.191 6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.007 -1.256 8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.765 -0.943 6.877 1.00 0.00 H new ATOM 1138 N GLN A 71 5.055 -2.814 6.453 1.00 0.00 N ATOM 1139 CA GLN A 71 5.905 -3.634 5.606 1.00 0.00 C ATOM 1140 C GLN A 71 5.065 -4.625 4.809 1.00 0.00 C ATOM 1141 O GLN A 71 4.567 -5.612 5.356 1.00 0.00 O ATOM 1142 CB GLN A 71 6.934 -4.380 6.456 1.00 0.00 C ATOM 1143 CG GLN A 71 7.829 -3.463 7.275 1.00 0.00 C ATOM 1144 CD GLN A 71 8.767 -4.223 8.194 1.00 0.00 C ATOM 1145 OE1 GLN A 71 9.168 -5.349 7.900 1.00 0.00 O ATOM 1146 NE2 GLN A 71 9.127 -3.614 9.314 1.00 0.00 N ATOM 0 H GLN A 71 4.839 -3.229 7.359 1.00 0.00 H new ATOM 0 HA GLN A 71 6.430 -2.983 4.907 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.412 -5.060 7.129 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.556 -4.993 5.803 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.415 -2.838 6.601 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.208 -2.794 7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.774 -2.680 9.523 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.758 -4.079 9.967 1.00 0.00 H new ATOM 1155 N VAL A 72 4.898 -4.343 3.525 1.00 0.00 N ATOM 1156 CA VAL A 72 4.148 -5.214 2.632 1.00 0.00 C ATOM 1157 C VAL A 72 4.988 -5.559 1.408 1.00 0.00 C ATOM 1158 O VAL A 72 5.893 -4.807 1.038 1.00 0.00 O ATOM 1159 CB VAL A 72 2.815 -4.570 2.178 1.00 0.00 C ATOM 1160 CG1 VAL A 72 1.879 -4.380 3.361 1.00 0.00 C ATOM 1161 CG2 VAL A 72 3.056 -3.241 1.474 1.00 0.00 C ATOM 0 H VAL A 72 5.276 -3.509 3.075 1.00 0.00 H new ATOM 0 HA VAL A 72 3.911 -6.121 3.188 1.00 0.00 H new ATOM 0 HB VAL A 72 2.344 -5.249 1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.949 -3.926 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.666 -5.348 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 72 2.351 -3.730 4.098 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.101 -2.813 1.167 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.559 -2.554 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.680 -3.403 0.595 1.00 0.00 H new ATOM 1171 N SER A 73 4.698 -6.690 0.787 1.00 0.00 N ATOM 1172 CA SER A 73 5.451 -7.133 -0.376 1.00 0.00 C ATOM 1173 C SER A 73 4.515 -7.429 -1.544 1.00 0.00 C ATOM 1174 O SER A 73 3.499 -8.104 -1.379 1.00 0.00 O ATOM 1175 CB SER A 73 6.271 -8.374 -0.020 1.00 0.00 C ATOM 1176 OG SER A 73 7.095 -8.129 1.110 1.00 0.00 O ATOM 0 H SER A 73 3.946 -7.319 1.068 1.00 0.00 H new ATOM 0 HA SER A 73 6.128 -6.335 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.602 -9.210 0.187 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.889 -8.663 -0.870 1.00 0.00 H new ATOM 0 HG SER A 73 7.609 -8.936 1.321 1.00 0.00 H new ATOM 1182 N GLU A 74 4.859 -6.908 -2.716 1.00 0.00 N ATOM 1183 CA GLU A 74 4.059 -7.109 -3.915 1.00 0.00 C ATOM 1184 C GLU A 74 4.397 -8.474 -4.525 1.00 0.00 C ATOM 1185 O GLU A 74 5.515 -8.973 -4.367 1.00 0.00 O ATOM 1186 CB GLU A 74 4.332 -5.958 -4.892 1.00 0.00 C ATOM 1187 CG GLU A 74 3.182 -5.623 -5.827 1.00 0.00 C ATOM 1188 CD GLU A 74 3.106 -6.553 -7.011 1.00 0.00 C ATOM 1189 OE1 GLU A 74 3.986 -6.461 -7.892 1.00 0.00 O ATOM 1190 OE2 GLU A 74 2.183 -7.390 -7.059 1.00 0.00 O ATOM 0 H GLU A 74 5.693 -6.339 -2.860 1.00 0.00 H new ATOM 0 HA GLU A 74 2.995 -7.107 -3.678 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.585 -5.067 -4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.207 -6.210 -5.492 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.244 -5.668 -5.274 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.294 -4.598 -6.181 1.00 0.00 H new ATOM 1197 N VAL A 75 3.438 -9.079 -5.208 1.00 0.00 N ATOM 1198 CA VAL A 75 3.573 -10.464 -5.647 1.00 0.00 C ATOM 1199 C VAL A 75 3.939 -10.561 -7.131 1.00 0.00 C ATOM 1200 O VAL A 75 4.516 -11.561 -7.570 1.00 0.00 O ATOM 1201 CB VAL A 75 2.272 -11.258 -5.364 1.00 0.00 C ATOM 1202 CG1 VAL A 75 1.108 -10.714 -6.180 1.00 0.00 C ATOM 1203 CG2 VAL A 75 2.472 -12.744 -5.622 1.00 0.00 C ATOM 0 H VAL A 75 2.558 -8.636 -5.471 1.00 0.00 H new ATOM 0 HA VAL A 75 4.390 -10.904 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 75 2.027 -11.131 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.209 -11.290 -5.961 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.940 -9.668 -5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.340 -10.793 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.544 -13.277 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.755 -12.898 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.261 -13.123 -4.972 1.00 0.00 H new ATOM 1213 N GLY A 76 3.621 -9.526 -7.897 1.00 0.00 N ATOM 1214 CA GLY A 76 3.884 -9.553 -9.324 1.00 0.00 C ATOM 1215 C GLY A 76 5.292 -9.106 -9.680 1.00 0.00 C ATOM 1216 O GLY A 76 6.273 -9.595 -9.115 1.00 0.00 O ATOM 0 H GLY A 76 3.186 -8.668 -7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.725 -10.565 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.166 -8.909 -9.832 1.00 0.00 H new ATOM 1220 N SER A 77 5.390 -8.178 -10.617 1.00 0.00 N ATOM 1221 CA SER A 77 6.677 -7.709 -11.095 1.00 0.00 C ATOM 1222 C SER A 77 6.960 -6.299 -10.590 1.00 0.00 C ATOM 1223 O SER A 77 6.478 -5.331 -11.214 1.00 0.00 O ATOM 1224 CB SER A 77 6.715 -7.766 -12.626 1.00 0.00 C ATOM 1225 OG SER A 77 5.523 -7.235 -13.194 1.00 0.00 O ATOM 1226 OXT SER A 77 7.658 -6.162 -9.563 1.00 0.00 O ATOM 0 H SER A 77 4.588 -7.733 -11.063 1.00 0.00 H new ATOM 0 HA SER A 77 7.458 -8.361 -10.704 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.575 -7.205 -12.991 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.846 -8.798 -12.950 1.00 0.00 H new ATOM 0 HG SER A 77 5.321 -6.370 -12.780 1.00 0.00 H new TER 1232 SER A 77