USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 566 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 16 TYR OH : rot -61:sc= 0.52 USER MOD Set 1.2: A 65 ASN : amide:sc= -2.01 X(o=-1.5,f=-1.1!) USER MOD Set 2.1: A 40 SER OG : rot -123:sc= 0.928 USER MOD Set 2.2: A 42 SER OG : rot 180:sc= 1.12 USER MOD Single : A 5 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.67) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00519 USER MOD Single : A 18 GLN : amide:sc= -0.631 K(o=-0.63,f=0) USER MOD Single : A 24 SER OG : rot -87:sc= -0.845 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0491 K(o=-0.049,f=-0.71) USER MOD Single : A 35 HIS : no HD1:sc= -1.67! C(o=-1.7!,f=-4.3!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 41 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.1) USER MOD Single : A 45 GLN : amide:sc= -2.27 K(o=-2.3,f=-0.58) USER MOD Single : A 46 SER OG : rot 101:sc= 1.25 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.817! X(o=-0.82!,f=-0.77) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.06) USER MOD Single : A 60 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.018) USER MOD Single : A 62 ASN : amide:sc= -1.18 K(o=-1.2,f=-13!) USER MOD Single : A 68 SER OG : rot 75:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ -130:sc= 0.164 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.196 X(o=0.2,f=-0.015) USER MOD Single : A 79 TYR OH : rot 30:sc=-0.00515 USER MOD Single : A 80 THR OG1 : rot 148:sc= 1.17 USER MOD Single : A 82 SER OG : rot 41:sc= 0.902 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -4.247 7.610 9.582 1.00 0.00 N ATOM 35 CA CYS A 3 -3.902 7.764 8.131 1.00 0.00 C ATOM 36 C CYS A 3 -3.397 9.197 7.811 1.00 0.00 C ATOM 37 O CYS A 3 -3.991 9.953 7.074 1.00 0.00 O ATOM 38 CB CYS A 3 -5.195 7.375 7.393 1.00 0.00 C ATOM 39 SG CYS A 3 -5.061 6.994 5.641 1.00 0.00 S ATOM 0 HA CYS A 3 -3.072 7.132 7.817 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.622 6.507 7.895 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.907 8.192 7.507 1.00 0.00 H new ATOM 44 N GLY A 4 -2.282 9.541 8.404 1.00 0.00 N ATOM 45 CA GLY A 4 -1.679 10.900 8.186 1.00 0.00 C ATOM 46 C GLY A 4 -0.305 10.766 7.529 1.00 0.00 C ATOM 47 O GLY A 4 0.020 11.475 6.600 1.00 0.00 O ATOM 0 H GLY A 4 -1.756 8.937 9.036 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.335 11.501 7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.586 11.422 9.138 1.00 0.00 H new ATOM 51 N HIS A 5 0.487 9.852 8.029 1.00 0.00 N ATOM 52 CA HIS A 5 1.858 9.640 7.453 1.00 0.00 C ATOM 53 C HIS A 5 1.834 8.446 6.488 1.00 0.00 C ATOM 54 O HIS A 5 2.573 8.422 5.523 1.00 0.00 O ATOM 55 CB HIS A 5 2.889 9.340 8.573 1.00 0.00 C ATOM 56 CG HIS A 5 4.307 9.261 7.972 1.00 0.00 C ATOM 57 ND1 HIS A 5 5.341 8.768 8.570 1.00 0.00 N ATOM 58 CD2 HIS A 5 4.801 9.667 6.739 1.00 0.00 C ATOM 59 CE1 HIS A 5 6.379 8.853 7.799 1.00 0.00 C ATOM 60 NE2 HIS A 5 6.088 9.406 6.649 1.00 0.00 N ATOM 0 H HIS A 5 0.248 9.242 8.810 1.00 0.00 H new ATOM 0 HA HIS A 5 2.148 10.551 6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 5 2.850 10.119 9.334 1.00 0.00 H new ATOM 0 HB3 HIS A 5 2.640 8.400 9.066 1.00 0.00 H new ATOM 0 HD2 HIS A 5 4.212 10.132 5.963 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.366 8.509 8.072 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.713 9.592 5.865 1.00 0.00 H new ATOM 68 N VAL A 6 0.996 7.477 6.755 1.00 0.00 N ATOM 69 CA VAL A 6 0.910 6.277 5.859 1.00 0.00 C ATOM 70 C VAL A 6 0.577 6.701 4.424 1.00 0.00 C ATOM 71 O VAL A 6 1.015 6.092 3.466 1.00 0.00 O ATOM 72 CB VAL A 6 -0.200 5.300 6.324 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.224 4.155 5.336 1.00 0.00 C ATOM 74 CG2 VAL A 6 0.041 4.800 7.728 1.00 0.00 C ATOM 0 H VAL A 6 0.365 7.462 7.556 1.00 0.00 H new ATOM 0 HA VAL A 6 1.880 5.783 5.902 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.162 5.812 6.350 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.994 3.440 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.442 4.539 4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.747 3.660 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.760 4.118 8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.996 4.275 7.769 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.062 5.645 8.417 1.00 0.00 H new ATOM 84 N ASP A 7 -0.214 7.722 4.294 1.00 0.00 N ATOM 85 CA ASP A 7 -0.589 8.206 2.934 1.00 0.00 C ATOM 86 C ASP A 7 0.628 8.505 2.076 1.00 0.00 C ATOM 87 O ASP A 7 0.791 7.957 1.006 1.00 0.00 O ATOM 88 CB ASP A 7 -1.451 9.444 3.121 1.00 0.00 C ATOM 89 CG ASP A 7 -2.798 8.880 3.512 1.00 0.00 C ATOM 90 OD1 ASP A 7 -2.827 8.449 4.655 1.00 0.00 O ATOM 91 OD2 ASP A 7 -3.628 8.936 2.609 1.00 0.00 O ATOM 0 H ASP A 7 -0.620 8.246 5.069 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.138 7.429 2.402 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.050 10.099 3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.513 10.032 2.205 1.00 0.00 H new ATOM 96 N SER A 8 1.470 9.371 2.565 1.00 0.00 N ATOM 97 CA SER A 8 2.712 9.749 1.809 1.00 0.00 C ATOM 98 C SER A 8 3.660 8.537 1.666 1.00 0.00 C ATOM 99 O SER A 8 4.508 8.510 0.796 1.00 0.00 O ATOM 100 CB SER A 8 3.413 10.911 2.576 1.00 0.00 C ATOM 101 OG SER A 8 4.532 11.314 1.788 1.00 0.00 O ATOM 0 H SER A 8 1.356 9.841 3.463 1.00 0.00 H new ATOM 0 HA SER A 8 2.448 10.073 0.802 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.726 11.744 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.735 10.582 3.564 1.00 0.00 H new ATOM 0 HG SER A 8 5.001 12.048 2.237 1.00 0.00 H new ATOM 107 N LEU A 9 3.513 7.552 2.518 1.00 0.00 N ATOM 108 CA LEU A 9 4.388 6.365 2.440 1.00 0.00 C ATOM 109 C LEU A 9 4.006 5.485 1.241 1.00 0.00 C ATOM 110 O LEU A 9 4.872 5.061 0.499 1.00 0.00 O ATOM 111 CB LEU A 9 4.227 5.686 3.808 1.00 0.00 C ATOM 112 CG LEU A 9 5.113 6.418 4.869 1.00 0.00 C ATOM 113 CD1 LEU A 9 4.624 6.108 6.264 1.00 0.00 C ATOM 114 CD2 LEU A 9 6.539 5.931 4.767 1.00 0.00 C ATOM 0 H LEU A 9 2.818 7.529 3.264 1.00 0.00 H new ATOM 0 HA LEU A 9 5.437 6.599 2.259 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.181 5.709 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.516 4.637 3.740 1.00 0.00 H new ATOM 0 HG LEU A 9 5.055 7.490 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.250 6.624 6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.592 6.443 6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.677 5.033 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.152 6.444 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.571 4.857 4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.925 6.140 3.769 1.00 0.00 H new ATOM 126 N VAL A 10 2.741 5.220 1.061 1.00 0.00 N ATOM 127 CA VAL A 10 2.295 4.379 -0.080 1.00 0.00 C ATOM 128 C VAL A 10 2.070 5.262 -1.334 1.00 0.00 C ATOM 129 O VAL A 10 1.972 4.762 -2.439 1.00 0.00 O ATOM 130 CB VAL A 10 0.990 3.692 0.333 1.00 0.00 C ATOM 131 CG1 VAL A 10 0.782 2.495 -0.553 1.00 0.00 C ATOM 132 CG2 VAL A 10 1.001 3.237 1.776 1.00 0.00 C ATOM 0 H VAL A 10 1.990 5.556 1.665 1.00 0.00 H new ATOM 0 HA VAL A 10 3.051 3.634 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 10 0.183 4.417 0.227 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.144 1.992 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.720 2.818 -1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.619 1.806 -0.436 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.052 2.757 2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.814 2.527 1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.145 4.098 2.428 1.00 0.00 H new ATOM 142 N ARG A 11 1.977 6.557 -1.152 1.00 0.00 N ATOM 143 CA ARG A 11 1.762 7.466 -2.324 1.00 0.00 C ATOM 144 C ARG A 11 2.794 7.224 -3.453 1.00 0.00 C ATOM 145 O ARG A 11 2.396 7.128 -4.596 1.00 0.00 O ATOM 146 CB ARG A 11 1.807 8.955 -1.804 1.00 0.00 C ATOM 147 CG ARG A 11 0.750 9.896 -2.492 1.00 0.00 C ATOM 148 CD ARG A 11 -0.707 9.316 -2.416 1.00 0.00 C ATOM 149 NE ARG A 11 -1.688 10.394 -2.036 1.00 0.00 N ATOM 150 CZ ARG A 11 -2.628 10.131 -1.164 1.00 0.00 C ATOM 151 NH1 ARG A 11 -2.292 9.878 0.063 1.00 0.00 N ATOM 152 NH2 ARG A 11 -3.855 10.135 -1.593 1.00 0.00 N ATOM 0 H ARG A 11 2.040 7.023 -0.247 1.00 0.00 H new ATOM 0 HA ARG A 11 0.789 7.256 -2.768 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.639 8.960 -0.727 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.805 9.360 -1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.774 10.875 -2.014 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.025 10.044 -3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.984 8.888 -3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.745 8.508 -1.685 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.620 11.322 -2.455 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.309 9.886 0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.011 9.671 0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.052 10.338 -2.573 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.621 9.936 -0.950 1.00 0.00 H new ATOM 166 N PRO A 12 4.072 7.136 -3.147 1.00 0.00 N ATOM 167 CA PRO A 12 5.103 6.842 -4.179 1.00 0.00 C ATOM 168 C PRO A 12 4.889 5.506 -4.907 1.00 0.00 C ATOM 169 O PRO A 12 5.349 5.354 -6.022 1.00 0.00 O ATOM 170 CB PRO A 12 6.436 6.892 -3.410 1.00 0.00 C ATOM 171 CG PRO A 12 6.014 6.530 -1.968 1.00 0.00 C ATOM 172 CD PRO A 12 4.701 7.303 -1.800 1.00 0.00 C ATOM 0 HA PRO A 12 5.065 7.566 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.160 6.182 -3.810 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.896 7.879 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.871 5.456 -1.845 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.762 6.838 -1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.081 6.888 -1.005 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.872 8.351 -1.556 1.00 0.00 H new ATOM 180 N CYS A 13 4.218 4.551 -4.294 1.00 0.00 N ATOM 181 CA CYS A 13 4.017 3.276 -4.992 1.00 0.00 C ATOM 182 C CYS A 13 2.903 3.399 -6.040 1.00 0.00 C ATOM 183 O CYS A 13 2.838 2.634 -6.982 1.00 0.00 O ATOM 184 CB CYS A 13 3.702 2.290 -3.944 1.00 0.00 C ATOM 185 SG CYS A 13 5.061 1.743 -2.885 1.00 0.00 S ATOM 0 H CYS A 13 3.816 4.615 -3.359 1.00 0.00 H new ATOM 0 HA CYS A 13 4.902 2.968 -5.548 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.926 2.712 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.275 1.411 -4.426 1.00 0.00 H new ATOM 190 N LEU A 14 2.033 4.356 -5.872 1.00 0.00 N ATOM 191 CA LEU A 14 0.912 4.561 -6.860 1.00 0.00 C ATOM 192 C LEU A 14 1.455 4.930 -8.250 1.00 0.00 C ATOM 193 O LEU A 14 0.869 4.620 -9.273 1.00 0.00 O ATOM 194 CB LEU A 14 0.007 5.733 -6.465 1.00 0.00 C ATOM 195 CG LEU A 14 -1.088 5.362 -5.467 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.657 6.664 -4.960 1.00 0.00 C ATOM 197 CD2 LEU A 14 -2.195 4.660 -6.217 1.00 0.00 C ATOM 0 H LEU A 14 2.042 5.013 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 14 0.364 3.619 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.621 6.525 -6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.457 6.140 -7.364 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.701 4.731 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.448 6.459 -4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.869 7.243 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.066 7.232 -5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.989 4.386 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.596 5.326 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.801 3.761 -6.690 1.00 0.00 H new ATOM 209 N SER A 15 2.565 5.620 -8.253 1.00 0.00 N ATOM 210 CA SER A 15 3.194 6.043 -9.543 1.00 0.00 C ATOM 211 C SER A 15 3.426 4.860 -10.492 1.00 0.00 C ATOM 212 O SER A 15 3.528 5.029 -11.689 1.00 0.00 O ATOM 213 CB SER A 15 4.498 6.744 -9.181 1.00 0.00 C ATOM 214 OG SER A 15 4.017 7.783 -8.331 1.00 0.00 O ATOM 0 H SER A 15 3.067 5.911 -7.414 1.00 0.00 H new ATOM 0 HA SER A 15 2.530 6.715 -10.087 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.195 6.081 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.015 7.134 -10.058 1.00 0.00 H new ATOM 0 HG SER A 15 4.771 8.324 -8.017 1.00 0.00 H new ATOM 220 N TYR A 16 3.495 3.677 -9.943 1.00 0.00 N ATOM 221 CA TYR A 16 3.720 2.464 -10.793 1.00 0.00 C ATOM 222 C TYR A 16 2.364 1.809 -11.075 1.00 0.00 C ATOM 223 O TYR A 16 2.071 1.396 -12.180 1.00 0.00 O ATOM 224 CB TYR A 16 4.627 1.500 -10.035 1.00 0.00 C ATOM 225 CG TYR A 16 4.840 0.182 -10.810 1.00 0.00 C ATOM 226 CD1 TYR A 16 4.820 0.134 -12.193 1.00 0.00 C ATOM 227 CD2 TYR A 16 5.040 -0.995 -10.113 1.00 0.00 C ATOM 228 CE1 TYR A 16 4.988 -1.058 -12.851 1.00 0.00 C ATOM 229 CE2 TYR A 16 5.210 -2.198 -10.781 1.00 0.00 C ATOM 230 CZ TYR A 16 5.182 -2.230 -12.160 1.00 0.00 C ATOM 231 OH TYR A 16 5.316 -3.397 -12.882 1.00 0.00 O ATOM 0 H TYR A 16 3.406 3.495 -8.943 1.00 0.00 H new ATOM 0 HA TYR A 16 4.193 2.732 -11.738 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.591 1.975 -9.854 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.191 1.282 -9.060 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.671 1.042 -12.759 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.064 -0.977 -9.033 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.967 -1.076 -13.931 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.364 -3.109 -10.222 1.00 0.00 H new ATOM 0 HH TYR A 16 4.497 -3.560 -13.395 1.00 0.00 H new ATOM 241 N VAL A 17 1.584 1.727 -10.041 1.00 0.00 N ATOM 242 CA VAL A 17 0.214 1.120 -10.156 1.00 0.00 C ATOM 243 C VAL A 17 -0.609 1.778 -11.274 1.00 0.00 C ATOM 244 O VAL A 17 -1.432 1.154 -11.908 1.00 0.00 O ATOM 245 CB VAL A 17 -0.560 1.292 -8.830 1.00 0.00 C ATOM 246 CG1 VAL A 17 -1.865 0.536 -8.910 1.00 0.00 C ATOM 247 CG2 VAL A 17 0.276 0.760 -7.696 1.00 0.00 C ATOM 0 H VAL A 17 1.830 2.055 -9.107 1.00 0.00 H new ATOM 0 HA VAL A 17 0.354 0.064 -10.388 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.770 2.347 -8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.413 0.656 -7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.462 0.927 -9.734 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.663 -0.522 -9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.266 0.879 -6.758 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.485 -0.297 -7.863 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.214 1.312 -7.646 1.00 0.00 H new ATOM 257 N GLN A 18 -0.414 3.048 -11.501 1.00 0.00 N ATOM 258 CA GLN A 18 -1.165 3.754 -12.556 1.00 0.00 C ATOM 259 C GLN A 18 -0.868 3.198 -13.959 1.00 0.00 C ATOM 260 O GLN A 18 -1.670 3.332 -14.861 1.00 0.00 O ATOM 261 CB GLN A 18 -0.783 5.227 -12.405 1.00 0.00 C ATOM 262 CG GLN A 18 0.653 5.532 -12.891 1.00 0.00 C ATOM 263 CD GLN A 18 1.012 7.018 -12.710 1.00 0.00 C ATOM 264 OE1 GLN A 18 2.133 7.421 -12.926 1.00 0.00 O ATOM 265 NE2 GLN A 18 0.126 7.888 -12.322 1.00 0.00 N ATOM 0 H GLN A 18 0.248 3.629 -10.986 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.240 3.615 -12.445 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -1.488 5.839 -12.967 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.875 5.515 -11.358 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.363 4.916 -12.338 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.747 5.260 -13.942 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.830 7.591 -12.129 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.388 8.868 -12.211 1.00 0.00 H new ATOM 274 N GLY A 19 0.278 2.584 -14.113 1.00 0.00 N ATOM 275 CA GLY A 19 0.669 2.006 -15.441 1.00 0.00 C ATOM 276 C GLY A 19 1.725 2.881 -16.114 1.00 0.00 C ATOM 277 O GLY A 19 1.709 3.087 -17.311 1.00 0.00 O ATOM 0 H GLY A 19 0.967 2.456 -13.372 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.057 0.997 -15.305 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.209 1.926 -16.082 1.00 0.00 H new ATOM 281 N GLY A 20 2.632 3.385 -15.324 1.00 0.00 N ATOM 282 CA GLY A 20 3.721 4.259 -15.872 1.00 0.00 C ATOM 283 C GLY A 20 5.068 3.860 -15.263 1.00 0.00 C ATOM 284 O GLY A 20 5.158 2.842 -14.598 1.00 0.00 O ATOM 0 H GLY A 20 2.670 3.231 -14.316 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.761 4.167 -16.957 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.507 5.304 -15.649 1.00 0.00 H new ATOM 288 N PRO A 21 6.084 4.659 -15.492 1.00 0.00 N ATOM 289 CA PRO A 21 7.430 4.385 -14.919 1.00 0.00 C ATOM 290 C PRO A 21 7.399 4.600 -13.392 1.00 0.00 C ATOM 291 O PRO A 21 6.900 5.603 -12.917 1.00 0.00 O ATOM 292 CB PRO A 21 8.340 5.354 -15.672 1.00 0.00 C ATOM 293 CG PRO A 21 7.399 6.571 -15.893 1.00 0.00 C ATOM 294 CD PRO A 21 6.066 5.907 -16.309 1.00 0.00 C ATOM 0 HA PRO A 21 7.782 3.360 -15.039 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.223 5.621 -15.091 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.693 4.934 -16.614 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.288 7.166 -14.986 1.00 0.00 H new ATOM 0 HG3 PRO A 21 7.777 7.238 -16.668 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.206 6.535 -16.078 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.029 5.696 -17.378 1.00 0.00 H new ATOM 302 N GLY A 22 7.940 3.671 -12.644 1.00 0.00 N ATOM 303 CA GLY A 22 7.942 3.810 -11.164 1.00 0.00 C ATOM 304 C GLY A 22 8.220 2.439 -10.507 1.00 0.00 C ATOM 305 O GLY A 22 8.729 1.516 -11.122 1.00 0.00 O ATOM 0 H GLY A 22 8.380 2.822 -13.000 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.701 4.530 -10.859 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.981 4.197 -10.825 1.00 0.00 H new ATOM 309 N PRO A 23 7.876 2.310 -9.251 1.00 0.00 N ATOM 310 CA PRO A 23 7.232 3.379 -8.445 1.00 0.00 C ATOM 311 C PRO A 23 8.211 4.498 -8.073 1.00 0.00 C ATOM 312 O PRO A 23 8.014 5.629 -8.474 1.00 0.00 O ATOM 313 CB PRO A 23 6.677 2.624 -7.252 1.00 0.00 C ATOM 314 CG PRO A 23 7.680 1.456 -7.051 1.00 0.00 C ATOM 315 CD PRO A 23 8.076 1.057 -8.478 1.00 0.00 C ATOM 0 HA PRO A 23 6.451 3.917 -8.983 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.621 3.259 -6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 23 5.669 2.257 -7.445 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.547 1.770 -6.469 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.222 0.624 -6.517 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.110 0.714 -8.528 1.00 0.00 H new ATOM 0 HD3 PRO A 23 7.453 0.247 -8.857 1.00 0.00 H new ATOM 323 N SER A 24 9.238 4.146 -7.341 1.00 0.00 N ATOM 324 CA SER A 24 10.277 5.133 -6.886 1.00 0.00 C ATOM 325 C SER A 24 11.200 4.469 -5.872 1.00 0.00 C ATOM 326 O SER A 24 10.855 3.456 -5.293 1.00 0.00 O ATOM 327 CB SER A 24 9.595 6.332 -6.202 1.00 0.00 C ATOM 328 OG SER A 24 8.819 5.668 -5.210 1.00 0.00 O ATOM 0 H SER A 24 9.408 3.190 -7.029 1.00 0.00 H new ATOM 0 HA SER A 24 10.845 5.470 -7.753 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.316 7.025 -5.767 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.978 6.906 -6.893 1.00 0.00 H new ATOM 0 HG SER A 24 7.953 5.412 -5.590 1.00 0.00 H new ATOM 334 N GLY A 25 12.351 5.051 -5.658 1.00 0.00 N ATOM 335 CA GLY A 25 13.288 4.447 -4.665 1.00 0.00 C ATOM 336 C GLY A 25 12.704 4.659 -3.253 1.00 0.00 C ATOM 337 O GLY A 25 13.246 4.165 -2.286 1.00 0.00 O ATOM 0 H GLY A 25 12.678 5.901 -6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.419 3.384 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 25 14.272 4.910 -4.742 1.00 0.00 H new ATOM 341 N GLN A 26 11.614 5.383 -3.185 1.00 0.00 N ATOM 342 CA GLN A 26 10.939 5.677 -1.875 1.00 0.00 C ATOM 343 C GLN A 26 9.839 4.617 -1.664 1.00 0.00 C ATOM 344 O GLN A 26 9.493 4.302 -0.551 1.00 0.00 O ATOM 345 CB GLN A 26 10.249 7.069 -1.930 1.00 0.00 C ATOM 346 CG GLN A 26 11.160 8.238 -2.405 1.00 0.00 C ATOM 347 CD GLN A 26 12.051 8.753 -1.270 1.00 0.00 C ATOM 348 OE1 GLN A 26 13.089 8.202 -0.979 1.00 0.00 O ATOM 349 NE2 GLN A 26 11.719 9.806 -0.582 1.00 0.00 N ATOM 0 H GLN A 26 11.152 5.792 -3.997 1.00 0.00 H new ATOM 0 HA GLN A 26 11.677 5.664 -1.073 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.389 7.005 -2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.866 7.307 -0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.783 7.901 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.541 9.053 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.853 10.301 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.325 10.137 0.169 1.00 0.00 H new ATOM 358 N CYS A 27 9.294 4.087 -2.727 1.00 0.00 N ATOM 359 CA CYS A 27 8.220 3.052 -2.571 1.00 0.00 C ATOM 360 C CYS A 27 8.724 1.864 -1.754 1.00 0.00 C ATOM 361 O CYS A 27 8.067 1.403 -0.845 1.00 0.00 O ATOM 362 CB CYS A 27 7.771 2.605 -3.969 1.00 0.00 C ATOM 363 SG CYS A 27 6.596 1.229 -4.094 1.00 0.00 S ATOM 0 H CYS A 27 9.540 4.320 -3.689 1.00 0.00 H new ATOM 0 HA CYS A 27 7.374 3.478 -2.032 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.328 3.467 -4.468 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.663 2.333 -4.534 1.00 0.00 H new ATOM 368 N CYS A 28 9.907 1.404 -2.045 1.00 0.00 N ATOM 369 CA CYS A 28 10.441 0.233 -1.287 1.00 0.00 C ATOM 370 C CYS A 28 10.916 0.637 0.109 1.00 0.00 C ATOM 371 O CYS A 28 10.489 0.062 1.092 1.00 0.00 O ATOM 372 CB CYS A 28 11.525 -0.325 -2.210 1.00 0.00 C ATOM 373 SG CYS A 28 10.888 -0.536 -3.890 1.00 0.00 S ATOM 0 H CYS A 28 10.523 1.780 -2.765 1.00 0.00 H new ATOM 0 HA CYS A 28 9.698 -0.533 -1.065 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.381 0.349 -2.222 1.00 0.00 H new ATOM 0 HB3 CYS A 28 11.878 -1.282 -1.827 1.00 0.00 H new ATOM 378 N ASP A 29 11.756 1.629 0.192 1.00 0.00 N ATOM 379 CA ASP A 29 12.265 2.086 1.524 1.00 0.00 C ATOM 380 C ASP A 29 11.096 2.668 2.338 1.00 0.00 C ATOM 381 O ASP A 29 10.881 2.338 3.493 1.00 0.00 O ATOM 382 CB ASP A 29 13.366 3.161 1.265 1.00 0.00 C ATOM 383 CG ASP A 29 14.718 2.642 1.763 1.00 0.00 C ATOM 384 OD1 ASP A 29 14.807 2.450 2.965 1.00 0.00 O ATOM 385 OD2 ASP A 29 15.570 2.467 0.910 1.00 0.00 O ATOM 0 H ASP A 29 12.117 2.149 -0.608 1.00 0.00 H new ATOM 0 HA ASP A 29 12.692 1.261 2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.422 3.389 0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.110 4.089 1.777 1.00 0.00 H new ATOM 390 N GLY A 30 10.332 3.493 1.690 1.00 0.00 N ATOM 391 CA GLY A 30 9.161 4.156 2.333 1.00 0.00 C ATOM 392 C GLY A 30 8.123 3.166 2.838 1.00 0.00 C ATOM 393 O GLY A 30 7.730 3.199 3.993 1.00 0.00 O ATOM 0 H GLY A 30 10.471 3.746 0.712 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.508 4.767 3.166 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.693 4.831 1.616 1.00 0.00 H new ATOM 397 N VAL A 31 7.707 2.261 1.993 1.00 0.00 N ATOM 398 CA VAL A 31 6.675 1.279 2.440 1.00 0.00 C ATOM 399 C VAL A 31 7.271 0.202 3.359 1.00 0.00 C ATOM 400 O VAL A 31 6.620 -0.205 4.304 1.00 0.00 O ATOM 401 CB VAL A 31 6.040 0.719 1.133 1.00 0.00 C ATOM 402 CG1 VAL A 31 4.867 -0.176 1.441 1.00 0.00 C ATOM 403 CG2 VAL A 31 5.487 1.873 0.330 1.00 0.00 C ATOM 0 H VAL A 31 8.029 2.159 1.031 1.00 0.00 H new ATOM 0 HA VAL A 31 5.906 1.741 3.059 1.00 0.00 H new ATOM 0 HB VAL A 31 6.811 0.165 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.443 -0.553 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.200 -1.014 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.109 0.391 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.039 1.495 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.730 2.394 0.916 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.293 2.564 0.083 1.00 0.00 H new ATOM 413 N LYS A 32 8.478 -0.241 3.090 1.00 0.00 N ATOM 414 CA LYS A 32 9.113 -1.284 3.952 1.00 0.00 C ATOM 415 C LYS A 32 9.218 -0.701 5.360 1.00 0.00 C ATOM 416 O LYS A 32 8.969 -1.396 6.323 1.00 0.00 O ATOM 417 CB LYS A 32 10.525 -1.618 3.417 1.00 0.00 C ATOM 418 CG LYS A 32 11.168 -2.786 4.209 1.00 0.00 C ATOM 419 CD LYS A 32 12.585 -3.068 3.622 1.00 0.00 C ATOM 420 CE LYS A 32 13.225 -4.379 4.185 1.00 0.00 C ATOM 421 NZ LYS A 32 13.515 -4.278 5.655 1.00 0.00 N ATOM 0 H LYS A 32 9.050 0.078 2.308 1.00 0.00 H new ATOM 0 HA LYS A 32 8.522 -2.200 3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.463 -1.883 2.362 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.161 -0.735 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.241 -2.531 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.546 -3.678 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.516 -3.140 2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.240 -2.225 3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.552 -5.217 4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.149 -4.591 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.938 -5.168 5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.178 -3.495 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.630 -4.101 6.172 1.00 0.00 H new ATOM 435 N ASN A 33 9.578 0.553 5.450 1.00 0.00 N ATOM 436 CA ASN A 33 9.700 1.189 6.796 1.00 0.00 C ATOM 437 C ASN A 33 8.373 1.103 7.555 1.00 0.00 C ATOM 438 O ASN A 33 8.327 0.515 8.620 1.00 0.00 O ATOM 439 CB ASN A 33 10.150 2.654 6.586 1.00 0.00 C ATOM 440 CG ASN A 33 11.689 2.700 6.520 1.00 0.00 C ATOM 441 OD1 ASN A 33 12.364 2.299 7.445 1.00 0.00 O ATOM 442 ND2 ASN A 33 12.290 3.166 5.467 1.00 0.00 N ATOM 0 H ASN A 33 9.791 1.160 4.658 1.00 0.00 H new ATOM 0 HA ASN A 33 10.439 0.666 7.404 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.721 3.052 5.666 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.789 3.280 7.402 1.00 0.00 H new ATOM 0 HD21 ASN A 33 13.309 3.189 5.430 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.743 3.509 4.677 1.00 0.00 H new ATOM 449 N LEU A 34 7.333 1.660 6.995 1.00 0.00 N ATOM 450 CA LEU A 34 5.997 1.616 7.670 1.00 0.00 C ATOM 451 C LEU A 34 5.656 0.162 7.987 1.00 0.00 C ATOM 452 O LEU A 34 5.369 -0.174 9.115 1.00 0.00 O ATOM 453 CB LEU A 34 4.940 2.185 6.746 1.00 0.00 C ATOM 454 CG LEU A 34 3.523 1.992 7.366 1.00 0.00 C ATOM 455 CD1 LEU A 34 3.405 2.682 8.707 1.00 0.00 C ATOM 456 CD2 LEU A 34 2.504 2.525 6.394 1.00 0.00 C ATOM 0 H LEU A 34 7.348 2.145 6.098 1.00 0.00 H new ATOM 0 HA LEU A 34 6.028 2.204 8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.129 3.245 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.991 1.691 5.776 1.00 0.00 H new ATOM 0 HG LEU A 34 3.348 0.931 7.544 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.404 2.526 9.109 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.141 2.268 9.395 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.584 3.750 8.584 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.504 2.399 6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.692 3.584 6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.577 1.979 5.454 1.00 0.00 H new ATOM 468 N HIS A 35 5.709 -0.673 6.984 1.00 0.00 N ATOM 469 CA HIS A 35 5.401 -2.123 7.173 1.00 0.00 C ATOM 470 C HIS A 35 6.138 -2.673 8.406 1.00 0.00 C ATOM 471 O HIS A 35 5.570 -3.208 9.337 1.00 0.00 O ATOM 472 CB HIS A 35 5.838 -2.821 5.898 1.00 0.00 C ATOM 473 CG HIS A 35 5.903 -4.327 6.104 1.00 0.00 C ATOM 474 ND1 HIS A 35 6.769 -4.916 6.859 1.00 0.00 N ATOM 475 CD2 HIS A 35 5.128 -5.344 5.589 1.00 0.00 C ATOM 476 CE1 HIS A 35 6.559 -6.195 6.823 1.00 0.00 C ATOM 477 NE2 HIS A 35 5.550 -6.504 6.046 1.00 0.00 N ATOM 0 H HIS A 35 5.955 -0.410 6.030 1.00 0.00 H new ATOM 0 HA HIS A 35 4.339 -2.290 7.353 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.141 -2.589 5.093 1.00 0.00 H new ATOM 0 HB3 HIS A 35 6.815 -2.449 5.590 1.00 0.00 H new ATOM 0 HD2 HIS A 35 4.298 -5.209 4.911 1.00 0.00 H new ATOM 0 HE1 HIS A 35 7.146 -6.919 7.368 1.00 0.00 H new ATOM 0 HE2 HIS A 35 5.177 -7.431 5.842 1.00 0.00 H new ATOM 485 N ASN A 36 7.432 -2.515 8.361 1.00 0.00 N ATOM 486 CA ASN A 36 8.310 -2.990 9.482 1.00 0.00 C ATOM 487 C ASN A 36 7.815 -2.430 10.833 1.00 0.00 C ATOM 488 O ASN A 36 7.703 -3.145 11.811 1.00 0.00 O ATOM 489 CB ASN A 36 9.763 -2.501 9.208 1.00 0.00 C ATOM 490 CG ASN A 36 10.759 -3.157 10.187 1.00 0.00 C ATOM 491 OD1 ASN A 36 10.953 -4.355 10.203 1.00 0.00 O ATOM 492 ND2 ASN A 36 11.418 -2.418 11.029 1.00 0.00 N ATOM 0 H ASN A 36 7.930 -2.072 7.588 1.00 0.00 H new ATOM 0 HA ASN A 36 8.280 -4.078 9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.044 -2.740 8.182 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.811 -1.417 9.307 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.076 -2.848 11.679 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.277 -1.408 11.040 1.00 0.00 H new ATOM 499 N GLN A 37 7.546 -1.152 10.841 1.00 0.00 N ATOM 500 CA GLN A 37 7.063 -0.489 12.093 1.00 0.00 C ATOM 501 C GLN A 37 5.657 -0.967 12.475 1.00 0.00 C ATOM 502 O GLN A 37 5.296 -0.988 13.642 1.00 0.00 O ATOM 503 CB GLN A 37 7.065 1.030 11.867 1.00 0.00 C ATOM 504 CG GLN A 37 8.532 1.506 11.732 1.00 0.00 C ATOM 505 CD GLN A 37 8.554 3.005 11.419 1.00 0.00 C ATOM 506 OE1 GLN A 37 8.128 3.435 10.368 1.00 0.00 O ATOM 507 NE2 GLN A 37 9.038 3.844 12.287 1.00 0.00 N ATOM 0 H GLN A 37 7.639 -0.535 10.034 1.00 0.00 H new ATOM 0 HA GLN A 37 7.727 -0.752 12.916 1.00 0.00 H new ATOM 0 HB2 GLN A 37 6.502 1.280 10.968 1.00 0.00 H new ATOM 0 HB3 GLN A 37 6.578 1.537 12.700 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.076 1.308 12.655 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.035 0.951 10.940 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.401 3.504 13.177 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.054 4.842 12.077 1.00 0.00 H new ATOM 516 N ALA A 38 4.892 -1.345 11.492 1.00 0.00 N ATOM 517 CA ALA A 38 3.498 -1.830 11.754 1.00 0.00 C ATOM 518 C ALA A 38 3.516 -3.181 12.487 1.00 0.00 C ATOM 519 O ALA A 38 3.278 -4.232 11.917 1.00 0.00 O ATOM 520 CB ALA A 38 2.791 -1.960 10.424 1.00 0.00 C ATOM 0 H ALA A 38 5.168 -1.341 10.510 1.00 0.00 H new ATOM 0 HA ALA A 38 2.973 -1.120 12.393 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.772 -2.312 10.586 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.765 -0.989 9.929 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.325 -2.673 9.796 1.00 0.00 H new ATOM 526 N ARG A 39 3.780 -3.141 13.761 1.00 0.00 N ATOM 527 CA ARG A 39 3.827 -4.412 14.550 1.00 0.00 C ATOM 528 C ARG A 39 2.495 -4.666 15.268 1.00 0.00 C ATOM 529 O ARG A 39 2.367 -5.649 15.966 1.00 0.00 O ATOM 530 CB ARG A 39 4.984 -4.267 15.547 1.00 0.00 C ATOM 531 CG ARG A 39 5.858 -5.531 15.504 1.00 0.00 C ATOM 532 CD ARG A 39 7.006 -5.402 16.514 1.00 0.00 C ATOM 533 NE ARG A 39 7.799 -6.662 16.407 1.00 0.00 N ATOM 534 CZ ARG A 39 9.066 -6.596 16.142 1.00 0.00 C ATOM 535 NH1 ARG A 39 9.415 -6.610 14.894 1.00 0.00 N ATOM 536 NH2 ARG A 39 9.893 -6.518 17.136 1.00 0.00 N ATOM 0 H ARG A 39 3.965 -2.290 14.293 1.00 0.00 H new ATOM 0 HA ARG A 39 3.987 -5.271 13.898 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.582 -3.390 15.301 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.594 -4.115 16.554 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.255 -6.409 15.735 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.258 -5.674 14.500 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.625 -4.533 16.291 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.622 -5.269 17.525 1.00 0.00 H new ATOM 0 HE ARG A 39 7.348 -7.567 16.541 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.703 -6.671 14.166 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.402 -6.560 14.640 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.541 -6.510 18.093 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.897 -6.465 16.962 1.00 0.00 H new ATOM 550 N SER A 40 1.544 -3.788 15.084 1.00 0.00 N ATOM 551 CA SER A 40 0.213 -3.973 15.757 1.00 0.00 C ATOM 552 C SER A 40 -0.887 -4.055 14.692 1.00 0.00 C ATOM 553 O SER A 40 -0.696 -3.588 13.584 1.00 0.00 O ATOM 554 CB SER A 40 -0.059 -2.777 16.687 1.00 0.00 C ATOM 555 OG SER A 40 -1.385 -2.973 17.178 1.00 0.00 O ATOM 0 H SER A 40 1.625 -2.954 14.502 1.00 0.00 H new ATOM 0 HA SER A 40 0.222 -4.893 16.342 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.662 -2.743 17.504 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.025 -1.833 16.148 1.00 0.00 H new ATOM 0 HG SER A 40 -1.935 -2.194 16.953 1.00 0.00 H new ATOM 561 N GLN A 41 -2.009 -4.626 15.051 1.00 0.00 N ATOM 562 CA GLN A 41 -3.135 -4.749 14.079 1.00 0.00 C ATOM 563 C GLN A 41 -3.549 -3.336 13.635 1.00 0.00 C ATOM 564 O GLN A 41 -3.904 -3.111 12.497 1.00 0.00 O ATOM 565 CB GLN A 41 -4.294 -5.479 14.777 1.00 0.00 C ATOM 566 CG GLN A 41 -5.385 -5.832 13.743 1.00 0.00 C ATOM 567 CD GLN A 41 -6.620 -6.336 14.482 1.00 0.00 C ATOM 568 OE1 GLN A 41 -7.033 -5.748 15.456 1.00 0.00 O ATOM 569 NE2 GLN A 41 -7.263 -7.388 14.086 1.00 0.00 N ATOM 0 H GLN A 41 -2.193 -5.012 15.977 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.844 -5.318 13.196 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -3.928 -6.386 15.258 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.713 -4.849 15.562 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.635 -4.956 13.145 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.020 -6.594 13.055 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.940 -7.905 13.268 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.092 -7.699 14.592 1.00 0.00 H new ATOM 578 N SER A 42 -3.464 -2.426 14.549 1.00 0.00 N ATOM 579 CA SER A 42 -3.817 -1.000 14.323 1.00 0.00 C ATOM 580 C SER A 42 -3.059 -0.413 13.126 1.00 0.00 C ATOM 581 O SER A 42 -3.674 0.163 12.254 1.00 0.00 O ATOM 582 CB SER A 42 -3.456 -0.248 15.634 1.00 0.00 C ATOM 583 OG SER A 42 -3.468 -1.252 16.658 1.00 0.00 O ATOM 0 H SER A 42 -3.146 -2.621 15.498 1.00 0.00 H new ATOM 0 HA SER A 42 -4.876 -0.898 14.087 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.478 0.227 15.559 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.178 0.541 15.847 1.00 0.00 H new ATOM 0 HG SER A 42 -3.245 -0.843 17.520 1.00 0.00 H new ATOM 589 N ASP A 43 -1.758 -0.589 13.113 1.00 0.00 N ATOM 590 CA ASP A 43 -0.984 -0.015 11.982 1.00 0.00 C ATOM 591 C ASP A 43 -1.258 -0.764 10.674 1.00 0.00 C ATOM 592 O ASP A 43 -1.043 -0.267 9.585 1.00 0.00 O ATOM 593 CB ASP A 43 0.515 -0.036 12.288 1.00 0.00 C ATOM 594 CG ASP A 43 1.163 1.062 11.389 1.00 0.00 C ATOM 595 OD1 ASP A 43 0.493 1.837 10.711 1.00 0.00 O ATOM 596 OD2 ASP A 43 2.369 1.063 11.454 1.00 0.00 O ATOM 0 H ASP A 43 -1.217 -1.091 13.817 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.309 1.018 11.857 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.699 0.167 13.343 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.942 -1.016 12.073 1.00 0.00 H new ATOM 601 N ARG A 44 -1.763 -1.963 10.775 1.00 0.00 N ATOM 602 CA ARG A 44 -2.063 -2.739 9.529 1.00 0.00 C ATOM 603 C ARG A 44 -3.472 -2.313 9.061 1.00 0.00 C ATOM 604 O ARG A 44 -3.712 -2.164 7.879 1.00 0.00 O ATOM 605 CB ARG A 44 -2.034 -4.297 9.805 1.00 0.00 C ATOM 606 CG ARG A 44 -0.651 -4.934 9.360 1.00 0.00 C ATOM 607 CD ARG A 44 0.272 -5.223 10.572 1.00 0.00 C ATOM 608 NE ARG A 44 0.439 -6.725 10.707 1.00 0.00 N ATOM 609 CZ ARG A 44 1.620 -7.244 10.923 1.00 0.00 C ATOM 610 NH1 ARG A 44 2.450 -6.598 11.691 1.00 0.00 N ATOM 611 NH2 ARG A 44 1.914 -8.379 10.365 1.00 0.00 N ATOM 0 H ARG A 44 -1.980 -2.437 11.652 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.311 -2.532 8.767 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.198 -4.484 10.866 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.849 -4.779 9.266 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.837 -5.860 8.817 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.145 -4.257 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.242 -4.746 10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.159 -4.807 11.483 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.375 -7.334 10.629 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.173 -5.709 12.108 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.377 -6.981 11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.230 -8.848 9.772 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.829 -8.802 10.520 1.00 0.00 H new ATOM 625 N GLN A 45 -4.378 -2.109 9.977 1.00 0.00 N ATOM 626 CA GLN A 45 -5.762 -1.693 9.621 1.00 0.00 C ATOM 627 C GLN A 45 -5.755 -0.229 9.167 1.00 0.00 C ATOM 628 O GLN A 45 -6.331 0.134 8.164 1.00 0.00 O ATOM 629 CB GLN A 45 -6.604 -1.894 10.869 1.00 0.00 C ATOM 630 CG GLN A 45 -7.475 -3.143 10.706 1.00 0.00 C ATOM 631 CD GLN A 45 -8.153 -3.429 12.039 1.00 0.00 C ATOM 632 OE1 GLN A 45 -8.856 -2.625 12.613 1.00 0.00 O ATOM 633 NE2 GLN A 45 -7.972 -4.588 12.584 1.00 0.00 N ATOM 0 H GLN A 45 -4.213 -2.216 10.978 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.171 -2.278 8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.959 -1.999 11.742 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.232 -1.020 11.041 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.221 -2.987 9.926 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.866 -3.993 10.399 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.385 -5.283 12.122 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.416 -4.807 13.476 1.00 0.00 H new ATOM 642 N SER A 46 -5.066 0.606 9.888 1.00 0.00 N ATOM 643 CA SER A 46 -5.030 2.053 9.498 1.00 0.00 C ATOM 644 C SER A 46 -4.453 2.225 8.095 1.00 0.00 C ATOM 645 O SER A 46 -5.083 2.806 7.228 1.00 0.00 O ATOM 646 CB SER A 46 -4.193 2.805 10.520 1.00 0.00 C ATOM 647 OG SER A 46 -4.894 2.491 11.713 1.00 0.00 O ATOM 0 H SER A 46 -4.530 0.361 10.721 1.00 0.00 H new ATOM 0 HA SER A 46 -6.043 2.454 9.483 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.159 2.459 10.544 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.166 3.877 10.325 1.00 0.00 H new ATOM 0 HG SER A 46 -4.421 1.780 12.193 1.00 0.00 H new ATOM 653 N ALA A 47 -3.278 1.694 7.873 1.00 0.00 N ATOM 654 CA ALA A 47 -2.658 1.832 6.522 1.00 0.00 C ATOM 655 C ALA A 47 -3.582 1.320 5.420 1.00 0.00 C ATOM 656 O ALA A 47 -3.669 1.922 4.362 1.00 0.00 O ATOM 657 CB ALA A 47 -1.357 1.070 6.529 1.00 0.00 C ATOM 0 H ALA A 47 -2.727 1.177 8.559 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.480 2.886 6.310 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.881 1.154 5.552 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.697 1.484 7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.551 0.020 6.749 1.00 0.00 H new ATOM 663 N CYS A 48 -4.244 0.220 5.674 1.00 0.00 N ATOM 664 CA CYS A 48 -5.184 -0.352 4.662 1.00 0.00 C ATOM 665 C CYS A 48 -6.233 0.715 4.283 1.00 0.00 C ATOM 666 O CYS A 48 -6.574 0.893 3.125 1.00 0.00 O ATOM 667 CB CYS A 48 -5.867 -1.559 5.279 1.00 0.00 C ATOM 668 SG CYS A 48 -6.882 -2.619 4.223 1.00 0.00 S ATOM 0 H CYS A 48 -4.174 -0.309 6.543 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.646 -0.651 3.762 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.094 -2.183 5.727 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.499 -1.201 6.092 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.375 -3.592 4.930 1.00 0.00 H new ATOM 673 N ASN A 49 -6.719 1.409 5.284 1.00 0.00 N ATOM 674 CA ASN A 49 -7.746 2.467 5.007 1.00 0.00 C ATOM 675 C ASN A 49 -7.209 3.539 4.070 1.00 0.00 C ATOM 676 O ASN A 49 -7.954 3.997 3.219 1.00 0.00 O ATOM 677 CB ASN A 49 -8.190 3.056 6.333 1.00 0.00 C ATOM 678 CG ASN A 49 -9.014 1.986 6.976 1.00 0.00 C ATOM 679 OD1 ASN A 49 -10.116 1.685 6.568 1.00 0.00 O ATOM 680 ND2 ASN A 49 -8.535 1.370 7.986 1.00 0.00 N ATOM 0 H ASN A 49 -6.457 1.294 6.263 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.601 2.022 4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.334 3.321 6.953 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.771 3.966 6.186 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.078 0.635 8.439 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.610 1.613 8.340 1.00 0.00 H new ATOM 687 N CYS A 50 -5.956 3.874 4.232 1.00 0.00 N ATOM 688 CA CYS A 50 -5.317 4.915 3.365 1.00 0.00 C ATOM 689 C CYS A 50 -5.384 4.529 1.882 1.00 0.00 C ATOM 690 O CYS A 50 -5.974 5.216 1.068 1.00 0.00 O ATOM 691 CB CYS A 50 -3.879 5.064 3.849 1.00 0.00 C ATOM 692 SG CYS A 50 -3.809 5.411 5.616 1.00 0.00 S ATOM 0 H CYS A 50 -5.339 3.468 4.935 1.00 0.00 H new ATOM 0 HA CYS A 50 -5.846 5.865 3.444 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.325 4.150 3.635 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.391 5.869 3.300 1.00 0.00 H new ATOM 697 N LEU A 51 -4.779 3.421 1.557 1.00 0.00 N ATOM 698 CA LEU A 51 -4.787 2.947 0.141 1.00 0.00 C ATOM 699 C LEU A 51 -6.238 2.716 -0.287 1.00 0.00 C ATOM 700 O LEU A 51 -6.577 3.032 -1.404 1.00 0.00 O ATOM 701 CB LEU A 51 -3.900 1.637 0.063 1.00 0.00 C ATOM 702 CG LEU A 51 -4.165 0.553 1.180 1.00 0.00 C ATOM 703 CD1 LEU A 51 -5.271 -0.419 0.840 1.00 0.00 C ATOM 704 CD2 LEU A 51 -2.893 -0.237 1.373 1.00 0.00 C ATOM 0 H LEU A 51 -4.277 2.820 2.211 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.363 3.679 -0.546 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.058 1.173 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.851 1.929 0.110 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.476 1.088 2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.393 -1.132 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.203 0.127 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.016 -0.954 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.048 -0.995 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.620 -0.721 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.091 0.434 1.682 1.00 0.00 H new ATOM 716 N LYS A 52 -7.071 2.193 0.578 1.00 0.00 N ATOM 717 CA LYS A 52 -8.495 1.954 0.202 1.00 0.00 C ATOM 718 C LYS A 52 -9.184 3.238 -0.245 1.00 0.00 C ATOM 719 O LYS A 52 -9.672 3.295 -1.355 1.00 0.00 O ATOM 720 CB LYS A 52 -9.267 1.331 1.410 1.00 0.00 C ATOM 721 CG LYS A 52 -9.262 -0.229 1.276 1.00 0.00 C ATOM 722 CD LYS A 52 -10.286 -0.837 2.276 1.00 0.00 C ATOM 723 CE LYS A 52 -10.701 -2.270 1.836 1.00 0.00 C ATOM 724 NZ LYS A 52 -11.836 -2.763 2.681 1.00 0.00 N ATOM 0 H LYS A 52 -6.824 1.921 1.530 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.505 1.260 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.799 1.629 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.291 1.703 1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.517 -0.518 0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.264 -0.619 1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.851 -0.870 3.275 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.168 -0.199 2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.995 -2.265 0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.851 -2.946 1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.104 -3.721 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.542 -2.785 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.651 -2.125 2.574 1.00 0.00 H new ATOM 738 N GLY A 53 -9.213 4.244 0.587 1.00 0.00 N ATOM 739 CA GLY A 53 -9.879 5.532 0.196 1.00 0.00 C ATOM 740 C GLY A 53 -9.306 6.061 -1.127 1.00 0.00 C ATOM 741 O GLY A 53 -10.025 6.618 -1.936 1.00 0.00 O ATOM 0 H GLY A 53 -8.806 4.235 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.953 5.376 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -9.737 6.274 0.982 1.00 0.00 H new ATOM 745 N ILE A 54 -8.027 5.859 -1.291 1.00 0.00 N ATOM 746 CA ILE A 54 -7.304 6.308 -2.518 1.00 0.00 C ATOM 747 C ILE A 54 -7.714 5.467 -3.735 1.00 0.00 C ATOM 748 O ILE A 54 -8.325 5.950 -4.665 1.00 0.00 O ATOM 749 CB ILE A 54 -5.807 6.169 -2.164 1.00 0.00 C ATOM 750 CG1 ILE A 54 -5.453 7.282 -1.140 1.00 0.00 C ATOM 751 CG2 ILE A 54 -4.923 6.182 -3.389 1.00 0.00 C ATOM 752 CD1 ILE A 54 -4.044 7.068 -0.521 1.00 0.00 C ATOM 0 H ILE A 54 -7.436 5.388 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.542 7.334 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.621 5.196 -1.709 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.490 8.254 -1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.200 7.297 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.881 6.082 -3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.193 5.352 -4.041 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.057 7.122 -3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.834 7.867 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.015 6.108 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.294 7.079 -1.312 1.00 0.00 H new ATOM 764 N ALA A 55 -7.361 4.216 -3.702 1.00 0.00 N ATOM 765 CA ALA A 55 -7.680 3.265 -4.801 1.00 0.00 C ATOM 766 C ALA A 55 -9.142 3.445 -5.251 1.00 0.00 C ATOM 767 O ALA A 55 -9.458 3.407 -6.421 1.00 0.00 O ATOM 768 CB ALA A 55 -7.456 1.870 -4.275 1.00 0.00 C ATOM 0 H ALA A 55 -6.844 3.797 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.043 3.449 -5.666 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.681 1.146 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.416 1.760 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.108 1.695 -3.420 1.00 0.00 H new ATOM 774 N ARG A 56 -10.006 3.649 -4.300 1.00 0.00 N ATOM 775 CA ARG A 56 -11.456 3.840 -4.598 1.00 0.00 C ATOM 776 C ARG A 56 -11.708 4.912 -5.670 1.00 0.00 C ATOM 777 O ARG A 56 -12.711 4.853 -6.352 1.00 0.00 O ATOM 778 CB ARG A 56 -12.142 4.206 -3.251 1.00 0.00 C ATOM 779 CG ARG A 56 -13.494 3.467 -3.059 1.00 0.00 C ATOM 780 CD ARG A 56 -13.888 3.579 -1.562 1.00 0.00 C ATOM 781 NE ARG A 56 -13.969 5.036 -1.229 1.00 0.00 N ATOM 782 CZ ARG A 56 -14.997 5.530 -0.604 1.00 0.00 C ATOM 783 NH1 ARG A 56 -16.165 5.429 -1.169 1.00 0.00 N ATOM 784 NH2 ARG A 56 -14.819 6.104 0.548 1.00 0.00 N ATOM 0 H ARG A 56 -9.767 3.693 -3.309 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.873 2.924 -5.017 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -11.474 3.957 -2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -12.310 5.282 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.264 3.910 -3.691 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.403 2.421 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -14.845 3.090 -1.379 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.150 3.082 -0.933 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.203 5.654 -1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -16.255 4.972 -2.077 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -16.991 5.806 -0.704 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.883 6.162 0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.615 6.496 1.051 1.00 0.00 H new ATOM 798 N GLY A 57 -10.819 5.864 -5.784 1.00 0.00 N ATOM 799 CA GLY A 57 -10.993 6.945 -6.798 1.00 0.00 C ATOM 800 C GLY A 57 -10.204 6.616 -8.072 1.00 0.00 C ATOM 801 O GLY A 57 -10.341 7.303 -9.065 1.00 0.00 O ATOM 0 H GLY A 57 -9.976 5.939 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.050 7.061 -7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.653 7.896 -6.387 1.00 0.00 H new ATOM 805 N ILE A 58 -9.395 5.591 -8.043 1.00 0.00 N ATOM 806 CA ILE A 58 -8.603 5.234 -9.258 1.00 0.00 C ATOM 807 C ILE A 58 -9.499 4.412 -10.211 1.00 0.00 C ATOM 808 O ILE A 58 -9.806 3.261 -9.970 1.00 0.00 O ATOM 809 CB ILE A 58 -7.346 4.394 -8.838 1.00 0.00 C ATOM 810 CG1 ILE A 58 -6.575 5.038 -7.635 1.00 0.00 C ATOM 811 CG2 ILE A 58 -6.414 4.264 -10.024 1.00 0.00 C ATOM 812 CD1 ILE A 58 -5.789 6.311 -8.017 1.00 0.00 C ATOM 0 H ILE A 58 -9.248 4.987 -7.234 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.266 6.138 -9.765 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.695 3.413 -8.515 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.287 5.283 -6.847 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.883 4.304 -7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.539 3.681 -9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.932 3.762 -10.841 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.099 5.255 -10.349 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.280 6.703 -7.136 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.053 6.068 -8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.478 7.062 -8.402 1.00 0.00 H new ATOM 824 N HIS A 59 -9.888 5.030 -11.296 1.00 0.00 N ATOM 825 CA HIS A 59 -10.759 4.336 -12.295 1.00 0.00 C ATOM 826 C HIS A 59 -9.956 3.265 -13.048 1.00 0.00 C ATOM 827 O HIS A 59 -10.320 2.106 -13.048 1.00 0.00 O ATOM 828 CB HIS A 59 -11.307 5.400 -13.268 1.00 0.00 C ATOM 829 CG HIS A 59 -12.255 4.782 -14.307 1.00 0.00 C ATOM 830 ND1 HIS A 59 -12.810 5.458 -15.255 1.00 0.00 N ATOM 831 CD2 HIS A 59 -12.725 3.490 -14.495 1.00 0.00 C ATOM 832 CE1 HIS A 59 -13.556 4.680 -15.974 1.00 0.00 C ATOM 833 NE2 HIS A 59 -13.532 3.447 -15.536 1.00 0.00 N ATOM 0 H HIS A 59 -9.639 5.990 -11.535 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.586 3.832 -11.795 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.835 6.170 -12.706 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.477 5.890 -13.778 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.467 2.642 -13.878 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.127 5.009 -16.830 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.025 2.638 -15.914 1.00 0.00 H new ATOM 841 N ASN A 60 -8.864 3.649 -13.657 1.00 0.00 N ATOM 842 CA ASN A 60 -8.070 2.625 -14.405 1.00 0.00 C ATOM 843 C ASN A 60 -6.966 2.049 -13.517 1.00 0.00 C ATOM 844 O ASN A 60 -5.813 1.992 -13.894 1.00 0.00 O ATOM 845 CB ASN A 60 -7.475 3.287 -15.681 1.00 0.00 C ATOM 846 CG ASN A 60 -7.147 2.211 -16.731 1.00 0.00 C ATOM 847 OD1 ASN A 60 -7.213 2.455 -17.917 1.00 0.00 O ATOM 848 ND2 ASN A 60 -6.788 1.011 -16.385 1.00 0.00 N ATOM 0 H ASN A 60 -8.494 4.599 -13.671 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.717 1.798 -14.699 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.185 4.004 -16.093 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.573 3.843 -15.425 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.574 0.316 -17.101 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.720 0.764 -15.398 1.00 0.00 H new ATOM 855 N LEU A 61 -7.368 1.615 -12.353 1.00 0.00 N ATOM 856 CA LEU A 61 -6.401 1.027 -11.378 1.00 0.00 C ATOM 857 C LEU A 61 -5.778 -0.232 -12.006 1.00 0.00 C ATOM 858 O LEU A 61 -6.446 -0.998 -12.675 1.00 0.00 O ATOM 859 CB LEU A 61 -7.226 0.745 -10.099 1.00 0.00 C ATOM 860 CG LEU A 61 -6.382 0.204 -8.910 1.00 0.00 C ATOM 861 CD1 LEU A 61 -7.163 0.468 -7.645 1.00 0.00 C ATOM 862 CD2 LEU A 61 -6.206 -1.290 -9.039 1.00 0.00 C ATOM 0 H LEU A 61 -8.336 1.643 -12.031 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.566 1.680 -11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.724 1.664 -9.790 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -8.008 0.023 -10.335 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.405 0.687 -8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.600 0.101 -6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.330 1.540 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.123 -0.046 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.614 -1.660 -8.202 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.183 -1.773 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.694 -1.517 -9.974 1.00 0.00 H new ATOM 874 N ASN A 62 -4.505 -0.427 -11.779 1.00 0.00 N ATOM 875 CA ASN A 62 -3.822 -1.630 -12.355 1.00 0.00 C ATOM 876 C ASN A 62 -3.413 -2.592 -11.230 1.00 0.00 C ATOM 877 O ASN A 62 -2.675 -2.184 -10.355 1.00 0.00 O ATOM 878 CB ASN A 62 -2.625 -1.123 -13.096 1.00 0.00 C ATOM 879 CG ASN A 62 -1.922 -2.225 -13.811 1.00 0.00 C ATOM 880 OD1 ASN A 62 -1.413 -3.119 -13.182 1.00 0.00 O ATOM 881 ND2 ASN A 62 -1.853 -2.215 -15.104 1.00 0.00 N ATOM 0 H ASN A 62 -3.910 0.188 -11.224 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.479 -2.185 -13.024 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.934 -0.361 -13.812 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.939 -0.644 -12.398 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.367 -2.965 -15.595 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.285 -1.457 -15.632 1.00 0.00 H new ATOM 888 N GLU A 63 -3.870 -3.821 -11.283 1.00 0.00 N ATOM 889 CA GLU A 63 -3.518 -4.824 -10.214 1.00 0.00 C ATOM 890 C GLU A 63 -2.113 -5.368 -10.481 1.00 0.00 C ATOM 891 O GLU A 63 -1.337 -5.543 -9.557 1.00 0.00 O ATOM 892 CB GLU A 63 -4.528 -6.047 -10.193 1.00 0.00 C ATOM 893 CG GLU A 63 -4.260 -6.933 -8.906 1.00 0.00 C ATOM 894 CD GLU A 63 -5.030 -8.277 -8.888 1.00 0.00 C ATOM 895 OE1 GLU A 63 -4.836 -9.018 -9.840 1.00 0.00 O ATOM 896 OE2 GLU A 63 -5.755 -8.495 -7.927 1.00 0.00 O ATOM 0 H GLU A 63 -4.475 -4.179 -12.022 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.571 -4.314 -9.252 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.556 -5.684 -10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.406 -6.649 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.192 -7.138 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.533 -6.359 -8.020 1.00 0.00 H new ATOM 903 N ASP A 64 -1.805 -5.593 -11.727 1.00 0.00 N ATOM 904 CA ASP A 64 -0.464 -6.127 -12.115 1.00 0.00 C ATOM 905 C ASP A 64 0.671 -5.347 -11.459 1.00 0.00 C ATOM 906 O ASP A 64 1.558 -5.920 -10.864 1.00 0.00 O ATOM 907 CB ASP A 64 -0.351 -6.055 -13.667 1.00 0.00 C ATOM 908 CG ASP A 64 1.070 -6.388 -14.138 1.00 0.00 C ATOM 909 OD1 ASP A 64 1.899 -5.490 -14.140 1.00 0.00 O ATOM 910 OD2 ASP A 64 1.222 -7.548 -14.464 1.00 0.00 O ATOM 0 H ASP A 64 -2.437 -5.427 -12.510 1.00 0.00 H new ATOM 0 HA ASP A 64 -0.373 -7.157 -11.770 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.058 -6.751 -14.118 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.625 -5.057 -14.008 1.00 0.00 H new ATOM 915 N ASN A 65 0.621 -4.054 -11.564 1.00 0.00 N ATOM 916 CA ASN A 65 1.695 -3.207 -10.966 1.00 0.00 C ATOM 917 C ASN A 65 1.525 -3.144 -9.438 1.00 0.00 C ATOM 918 O ASN A 65 2.474 -3.368 -8.704 1.00 0.00 O ATOM 919 CB ASN A 65 1.600 -1.830 -11.653 1.00 0.00 C ATOM 920 CG ASN A 65 1.814 -1.985 -13.176 1.00 0.00 C ATOM 921 OD1 ASN A 65 2.742 -2.628 -13.630 1.00 0.00 O ATOM 922 ND2 ASN A 65 0.987 -1.405 -13.997 1.00 0.00 N ATOM 0 H ASN A 65 -0.120 -3.539 -12.040 1.00 0.00 H new ATOM 0 HA ASN A 65 2.692 -3.617 -11.130 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.625 -1.383 -11.458 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.349 -1.155 -11.239 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.122 -1.493 -15.004 1.00 0.00 H new ATOM 0 HD22 ASN A 65 0.204 -0.862 -13.633 1.00 0.00 H new ATOM 929 N ALA A 66 0.330 -2.846 -8.987 1.00 0.00 N ATOM 930 CA ALA A 66 0.051 -2.771 -7.512 1.00 0.00 C ATOM 931 C ALA A 66 0.581 -4.012 -6.773 1.00 0.00 C ATOM 932 O ALA A 66 1.096 -3.912 -5.669 1.00 0.00 O ATOM 933 CB ALA A 66 -1.439 -2.690 -7.290 1.00 0.00 C ATOM 0 H ALA A 66 -0.474 -2.649 -9.582 1.00 0.00 H new ATOM 0 HA ALA A 66 0.555 -1.887 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.645 -2.635 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.832 -1.800 -7.781 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.918 -3.576 -7.707 1.00 0.00 H new ATOM 939 N ARG A 67 0.409 -5.144 -7.401 1.00 0.00 N ATOM 940 CA ARG A 67 0.870 -6.414 -6.802 1.00 0.00 C ATOM 941 C ARG A 67 2.355 -6.630 -7.133 1.00 0.00 C ATOM 942 O ARG A 67 3.016 -7.376 -6.437 1.00 0.00 O ATOM 943 CB ARG A 67 -0.093 -7.462 -7.374 1.00 0.00 C ATOM 944 CG ARG A 67 -0.012 -8.768 -6.585 1.00 0.00 C ATOM 945 CD ARG A 67 -1.281 -9.600 -6.913 1.00 0.00 C ATOM 946 NE ARG A 67 -0.967 -11.061 -6.807 1.00 0.00 N ATOM 947 CZ ARG A 67 -1.073 -11.745 -7.901 1.00 0.00 C ATOM 948 NH1 ARG A 67 -0.039 -11.788 -8.685 1.00 0.00 N ATOM 949 NH2 ARG A 67 -2.205 -12.328 -8.144 1.00 0.00 N ATOM 0 H ARG A 67 -0.037 -5.236 -8.314 1.00 0.00 H new ATOM 0 HA ARG A 67 0.841 -6.453 -5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.113 -7.078 -7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.148 -7.650 -8.420 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.888 -9.322 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.046 -8.565 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.086 -9.340 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.632 -9.365 -7.918 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.686 -11.491 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.816 -11.294 -8.429 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.081 -12.316 -9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.977 -12.239 -7.483 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.324 -12.875 -8.997 1.00 0.00 H new ATOM 963 N SER A 68 2.853 -5.971 -8.156 1.00 0.00 N ATOM 964 CA SER A 68 4.299 -6.129 -8.533 1.00 0.00 C ATOM 965 C SER A 68 5.208 -5.202 -7.724 1.00 0.00 C ATOM 966 O SER A 68 6.408 -5.216 -7.919 1.00 0.00 O ATOM 967 CB SER A 68 4.540 -5.798 -9.995 1.00 0.00 C ATOM 968 OG SER A 68 4.012 -6.937 -10.636 1.00 0.00 O ATOM 0 H SER A 68 2.322 -5.331 -8.746 1.00 0.00 H new ATOM 0 HA SER A 68 4.534 -7.173 -8.327 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.029 -4.884 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.599 -5.659 -10.214 1.00 0.00 H new ATOM 0 HG SER A 68 3.033 -6.899 -10.616 1.00 0.00 H new ATOM 974 N ILE A 69 4.655 -4.414 -6.841 1.00 0.00 N ATOM 975 CA ILE A 69 5.497 -3.491 -6.013 1.00 0.00 C ATOM 976 C ILE A 69 6.287 -4.348 -4.974 1.00 0.00 C ATOM 977 O ILE A 69 7.507 -4.405 -5.022 1.00 0.00 O ATOM 978 CB ILE A 69 4.531 -2.445 -5.320 1.00 0.00 C ATOM 979 CG1 ILE A 69 3.904 -1.486 -6.351 1.00 0.00 C ATOM 980 CG2 ILE A 69 5.302 -1.645 -4.298 1.00 0.00 C ATOM 981 CD1 ILE A 69 2.646 -0.810 -5.731 1.00 0.00 C ATOM 0 H ILE A 69 3.653 -4.367 -6.654 1.00 0.00 H new ATOM 0 HA ILE A 69 6.223 -2.942 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 69 3.727 -2.999 -4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.629 -0.728 -6.647 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.629 -2.033 -7.253 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.636 -0.925 -3.822 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.710 -2.317 -3.543 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.117 -1.115 -4.791 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.202 -0.131 -6.459 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.919 -1.575 -5.457 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.935 -0.250 -4.842 1.00 0.00 H new ATOM 993 N PRO A 70 5.598 -5.011 -4.067 1.00 0.00 N ATOM 994 CA PRO A 70 6.284 -5.841 -3.049 1.00 0.00 C ATOM 995 C PRO A 70 7.213 -6.952 -3.572 1.00 0.00 C ATOM 996 O PRO A 70 8.290 -7.057 -3.012 1.00 0.00 O ATOM 997 CB PRO A 70 5.132 -6.376 -2.150 1.00 0.00 C ATOM 998 CG PRO A 70 3.863 -6.279 -3.014 1.00 0.00 C ATOM 999 CD PRO A 70 4.108 -5.047 -3.888 1.00 0.00 C ATOM 0 HA PRO A 70 7.008 -5.232 -2.508 1.00 0.00 H new ATOM 0 HB2 PRO A 70 5.320 -7.404 -1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.035 -5.783 -1.241 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.721 -7.175 -3.618 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.970 -6.163 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.594 -5.130 -4.846 1.00 0.00 H new ATOM 0 HD3 PRO A 70 3.743 -4.139 -3.408 1.00 0.00 H new ATOM 1007 N PRO A 71 6.826 -7.727 -4.569 1.00 0.00 N ATOM 1008 CA PRO A 71 7.692 -8.809 -5.109 1.00 0.00 C ATOM 1009 C PRO A 71 8.928 -8.247 -5.818 1.00 0.00 C ATOM 1010 O PRO A 71 9.920 -8.935 -5.927 1.00 0.00 O ATOM 1011 CB PRO A 71 6.780 -9.600 -6.042 1.00 0.00 C ATOM 1012 CG PRO A 71 5.873 -8.490 -6.585 1.00 0.00 C ATOM 1013 CD PRO A 71 5.540 -7.691 -5.313 1.00 0.00 C ATOM 0 HA PRO A 71 8.103 -9.444 -4.325 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.337 -10.101 -6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.217 -10.369 -5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.381 -7.877 -7.330 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.978 -8.892 -7.060 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.232 -6.671 -5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.729 -8.149 -4.746 1.00 0.00 H new ATOM 1021 N LYS A 72 8.851 -7.029 -6.289 1.00 0.00 N ATOM 1022 CA LYS A 72 9.989 -6.396 -6.990 1.00 0.00 C ATOM 1023 C LYS A 72 11.144 -6.111 -6.030 1.00 0.00 C ATOM 1024 O LYS A 72 12.175 -6.742 -6.086 1.00 0.00 O ATOM 1025 CB LYS A 72 9.383 -5.105 -7.654 1.00 0.00 C ATOM 1026 CG LYS A 72 10.386 -3.940 -7.795 1.00 0.00 C ATOM 1027 CD LYS A 72 10.258 -3.274 -9.181 1.00 0.00 C ATOM 1028 CE LYS A 72 9.050 -2.301 -9.334 1.00 0.00 C ATOM 1029 NZ LYS A 72 9.218 -1.477 -10.591 1.00 0.00 N ATOM 0 H LYS A 72 8.023 -6.439 -6.211 1.00 0.00 H new ATOM 0 HA LYS A 72 10.434 -7.041 -7.748 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.000 -5.363 -8.642 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.533 -4.769 -7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.206 -3.202 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.402 -4.310 -7.656 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.176 -2.725 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.174 -4.055 -9.937 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.119 -2.866 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.984 -1.647 -8.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.084 -0.470 -10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.173 -1.622 -10.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.512 -1.771 -11.296 1.00 0.00 H new ATOM 1043 N CYS A 73 10.941 -5.152 -5.178 1.00 0.00 N ATOM 1044 CA CYS A 73 11.964 -4.762 -4.198 1.00 0.00 C ATOM 1045 C CYS A 73 12.140 -5.850 -3.138 1.00 0.00 C ATOM 1046 O CYS A 73 13.249 -6.190 -2.782 1.00 0.00 O ATOM 1047 CB CYS A 73 11.453 -3.463 -3.686 1.00 0.00 C ATOM 1048 SG CYS A 73 12.025 -2.026 -4.620 1.00 0.00 S ATOM 0 H CYS A 73 10.078 -4.610 -5.125 1.00 0.00 H new ATOM 0 HA CYS A 73 12.970 -4.650 -4.601 1.00 0.00 H new ATOM 0 HB2 CYS A 73 10.363 -3.482 -3.701 1.00 0.00 H new ATOM 0 HB3 CYS A 73 11.756 -3.350 -2.645 1.00 0.00 H new ATOM 1053 N GLY A 74 11.035 -6.365 -2.664 1.00 0.00 N ATOM 1054 CA GLY A 74 11.077 -7.438 -1.622 1.00 0.00 C ATOM 1055 C GLY A 74 10.519 -6.842 -0.340 1.00 0.00 C ATOM 1056 O GLY A 74 11.069 -7.007 0.729 1.00 0.00 O ATOM 0 H GLY A 74 10.098 -6.087 -2.955 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.488 -8.300 -1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.098 -7.788 -1.471 1.00 0.00 H new ATOM 1060 N VAL A 75 9.423 -6.157 -0.480 1.00 0.00 N ATOM 1061 CA VAL A 75 8.776 -5.516 0.697 1.00 0.00 C ATOM 1062 C VAL A 75 7.707 -6.460 1.207 1.00 0.00 C ATOM 1063 O VAL A 75 7.521 -6.545 2.402 1.00 0.00 O ATOM 1064 CB VAL A 75 8.188 -4.168 0.235 1.00 0.00 C ATOM 1065 CG1 VAL A 75 7.726 -3.394 1.439 1.00 0.00 C ATOM 1066 CG2 VAL A 75 9.241 -3.361 -0.484 1.00 0.00 C ATOM 0 H VAL A 75 8.942 -6.011 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 75 9.478 -5.323 1.508 1.00 0.00 H new ATOM 0 HB VAL A 75 7.353 -4.357 -0.440 1.00 0.00 H new ATOM 0 HG11 VAL A 75 7.309 -2.439 1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.963 -3.965 1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.571 -3.216 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.815 -2.411 -0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.078 -3.174 0.189 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.592 -3.915 -1.355 1.00 0.00 H new ATOM 1076 N ASN A 76 7.042 -7.143 0.310 1.00 0.00 N ATOM 1077 CA ASN A 76 5.978 -8.107 0.739 1.00 0.00 C ATOM 1078 C ASN A 76 4.907 -7.438 1.628 1.00 0.00 C ATOM 1079 O ASN A 76 4.944 -7.563 2.836 1.00 0.00 O ATOM 1080 CB ASN A 76 6.676 -9.234 1.504 1.00 0.00 C ATOM 1081 CG ASN A 76 5.699 -10.401 1.679 1.00 0.00 C ATOM 1082 OD1 ASN A 76 5.696 -11.377 0.961 1.00 0.00 O ATOM 1083 ND2 ASN A 76 4.832 -10.326 2.638 1.00 0.00 N ATOM 0 H ASN A 76 7.187 -7.077 -0.697 1.00 0.00 H new ATOM 0 HA ASN A 76 5.453 -8.485 -0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.562 -9.564 0.962 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.012 -8.876 2.477 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.161 -11.081 2.779 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.820 -9.512 3.252 1.00 0.00 H new ATOM 1090 N LEU A 77 3.971 -6.758 1.027 1.00 0.00 N ATOM 1091 CA LEU A 77 2.907 -6.082 1.840 1.00 0.00 C ATOM 1092 C LEU A 77 1.676 -6.981 1.860 1.00 0.00 C ATOM 1093 O LEU A 77 1.497 -7.747 0.933 1.00 0.00 O ATOM 1094 CB LEU A 77 2.522 -4.726 1.185 1.00 0.00 C ATOM 1095 CG LEU A 77 2.804 -3.527 2.111 1.00 0.00 C ATOM 1096 CD1 LEU A 77 4.276 -3.416 2.429 1.00 0.00 C ATOM 1097 CD2 LEU A 77 2.329 -2.261 1.435 1.00 0.00 C ATOM 0 H LEU A 77 3.892 -6.638 0.017 1.00 0.00 H new ATOM 0 HA LEU A 77 3.275 -5.903 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.079 -4.603 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.464 -4.739 0.923 1.00 0.00 H new ATOM 0 HG LEU A 77 2.269 -3.676 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.443 -2.561 3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.610 -4.326 2.928 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.839 -3.281 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.525 -1.407 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.861 -2.130 0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.259 -2.332 1.241 1.00 0.00 H new ATOM 1109 N PRO A 78 0.856 -6.869 2.885 1.00 0.00 N ATOM 1110 CA PRO A 78 -0.389 -7.660 2.943 1.00 0.00 C ATOM 1111 C PRO A 78 -1.535 -6.880 2.281 1.00 0.00 C ATOM 1112 O PRO A 78 -2.684 -7.247 2.432 1.00 0.00 O ATOM 1113 CB PRO A 78 -0.578 -7.908 4.430 1.00 0.00 C ATOM 1114 CG PRO A 78 -0.054 -6.592 5.091 1.00 0.00 C ATOM 1115 CD PRO A 78 1.013 -6.015 4.103 1.00 0.00 C ATOM 0 HA PRO A 78 -0.360 -8.604 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.624 -8.092 4.676 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.014 -8.778 4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.867 -5.882 5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.386 -6.793 6.068 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.829 -4.963 3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 78 2.020 -6.083 4.514 1.00 0.00 H new ATOM 1123 N TYR A 79 -1.203 -5.822 1.575 1.00 0.00 N ATOM 1124 CA TYR A 79 -2.253 -5.000 0.895 1.00 0.00 C ATOM 1125 C TYR A 79 -1.612 -3.979 -0.049 1.00 0.00 C ATOM 1126 O TYR A 79 -0.492 -3.569 0.176 1.00 0.00 O ATOM 1127 CB TYR A 79 -3.117 -4.294 2.016 1.00 0.00 C ATOM 1128 CG TYR A 79 -2.292 -3.767 3.226 1.00 0.00 C ATOM 1129 CD1 TYR A 79 -1.233 -2.892 3.076 1.00 0.00 C ATOM 1130 CD2 TYR A 79 -2.619 -4.179 4.511 1.00 0.00 C ATOM 1131 CE1 TYR A 79 -0.523 -2.443 4.169 1.00 0.00 C ATOM 1132 CE2 TYR A 79 -1.907 -3.726 5.606 1.00 0.00 C ATOM 1133 CZ TYR A 79 -0.854 -2.854 5.434 1.00 0.00 C ATOM 1134 OH TYR A 79 -0.130 -2.396 6.514 1.00 0.00 O ATOM 0 H TYR A 79 -0.247 -5.493 1.441 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.896 -5.632 0.283 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.658 -3.460 1.569 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.864 -4.999 2.380 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -0.957 -2.555 2.088 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.442 -4.863 4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.302 -1.761 4.027 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.177 -4.056 6.598 1.00 0.00 H new ATOM 0 HH TYR A 79 0.217 -1.501 6.319 1.00 0.00 H new ATOM 1144 N THR A 80 -2.291 -3.583 -1.093 1.00 0.00 N ATOM 1145 CA THR A 80 -1.711 -2.578 -2.052 1.00 0.00 C ATOM 1146 C THR A 80 -2.842 -1.667 -2.539 1.00 0.00 C ATOM 1147 O THR A 80 -3.898 -1.640 -1.940 1.00 0.00 O ATOM 1148 CB THR A 80 -1.024 -3.359 -3.261 1.00 0.00 C ATOM 1149 OG1 THR A 80 -0.499 -2.379 -4.159 1.00 0.00 O ATOM 1150 CG2 THR A 80 -1.981 -4.163 -4.110 1.00 0.00 C ATOM 0 H THR A 80 -3.228 -3.910 -1.330 1.00 0.00 H new ATOM 0 HA THR A 80 -0.952 -1.961 -1.571 1.00 0.00 H new ATOM 0 HB THR A 80 -0.295 -4.032 -2.809 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.311 -2.727 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.430 -4.661 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.477 -4.910 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.728 -3.499 -4.545 1.00 0.00 H new ATOM 1158 N ILE A 81 -2.606 -0.953 -3.605 1.00 0.00 N ATOM 1159 CA ILE A 81 -3.650 -0.033 -4.158 1.00 0.00 C ATOM 1160 C ILE A 81 -4.672 -0.908 -4.920 1.00 0.00 C ATOM 1161 O ILE A 81 -4.710 -0.943 -6.133 1.00 0.00 O ATOM 1162 CB ILE A 81 -2.971 0.984 -5.114 1.00 0.00 C ATOM 1163 CG1 ILE A 81 -1.854 1.793 -4.367 1.00 0.00 C ATOM 1164 CG2 ILE A 81 -3.994 1.920 -5.717 1.00 0.00 C ATOM 1165 CD1 ILE A 81 -2.420 2.691 -3.222 1.00 0.00 C ATOM 0 H ILE A 81 -1.728 -0.965 -4.124 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.155 0.526 -3.370 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.502 0.424 -5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -1.125 1.098 -3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.324 2.419 -5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.495 2.624 -6.383 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.727 1.343 -6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.498 2.469 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.601 3.227 -2.741 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.128 3.408 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -2.926 2.066 -2.486 1.00 0.00 H new ATOM 1177 N SER A 82 -5.485 -1.634 -4.198 1.00 0.00 N ATOM 1178 CA SER A 82 -6.516 -2.514 -4.821 1.00 0.00 C ATOM 1179 C SER A 82 -7.574 -2.880 -3.776 1.00 0.00 C ATOM 1180 O SER A 82 -7.372 -2.613 -2.607 1.00 0.00 O ATOM 1181 CB SER A 82 -5.861 -3.801 -5.316 1.00 0.00 C ATOM 1182 OG SER A 82 -5.306 -3.544 -6.599 1.00 0.00 O ATOM 0 H SER A 82 -5.476 -1.653 -3.178 1.00 0.00 H new ATOM 0 HA SER A 82 -6.977 -1.985 -5.655 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.085 -4.125 -4.623 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.595 -4.605 -5.372 1.00 0.00 H new ATOM 0 HG SER A 82 -4.885 -2.659 -6.602 1.00 0.00 H new