USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 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 103 ASN : amide:sc= -1.39 K(o=-4.6,f=-3.1!) USER MOD Set 1.2: A 106 ASN : amide:sc= -3.23 K(o=-4.6,f=-2.4!) USER MOD Set 2.1: A 15 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-2.1) USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc= -0.011 USER MOD Set 3.1: A 74 ASN : amide:sc= -5.5! C(o=-5.8!,f=-9.3!) USER MOD Set 3.2: A 77 ASN : amide:sc= -0.285 K(o=-5.8,f=-4.9) USER MOD Set 4.1: A 51 THR OG1 : rot 160:sc= 0.0779 USER MOD Set 4.2: A 53 TYR OH : rot 180:sc= 0.137 USER MOD Set 5.1: A 24 SER OG : rot 180:sc= -0.475 USER MOD Set 5.2: A 27 ASN : amide:sc= -6.11! C(o=-6.6!,f=-0.24!) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -167:sc= -11.8! (180deg=-11.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.931 K(o=-0.93,f=-0.0055) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -92:sc= -1.83! USER MOD Single : A 37 ASN : amide:sc= -0.084 K(o=-0.084,f=-0.69) USER MOD Single : A 39 ASN : amide:sc= -0.701 K(o=-0.7,f=-4.9!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0111 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 35:sc= 0.404 USER MOD Single : A 57 GLN : amide:sc= -1.71! C(o=-1.7!,f=-2.3!) USER MOD Single : A 59 ASN : amide:sc= -6.9! C(o=-6.9!,f=-11!) USER MOD Single : A 60 SER OG : rot -107:sc= 0.602 USER MOD Single : A 65 ASN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0717 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -2.55! USER MOD Single : A 93 ASN : amide:sc= -1.68 K(o=-1.7,f=-0.32) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -33:sc= 0.172 USER MOD Single : A 105 MET CE :methyl -152:sc= -1.48 (180deg=-4.05) USER MOD Single : A 113 ASN : amide:sc= -0.0457 X(o=-0.046,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -62:sc= 0.996 USER MOD Single : A 121 GLN : amide:sc=-0.00581 K(o=-0.0058,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.893 -10.491 2.182 1.00 0.00 N ATOM 2 CA LYS A 1 -5.977 -10.888 1.082 1.00 0.00 C ATOM 3 C LYS A 1 -4.881 -9.846 0.876 1.00 0.00 C ATOM 4 O LYS A 1 -4.965 -9.014 -0.026 1.00 0.00 O ATOM 5 CB LYS A 1 -6.796 -11.055 -0.199 1.00 0.00 C ATOM 6 CG LYS A 1 -6.730 -12.456 -0.784 1.00 0.00 C ATOM 7 CD LYS A 1 -8.094 -13.128 -0.777 1.00 0.00 C ATOM 8 CE LYS A 1 -8.877 -12.813 -2.042 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.184 -13.525 -2.077 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.628 -11.217 2.301 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.354 -10.397 3.066 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.339 -9.581 1.950 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.491 -11.829 1.342 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.836 -10.806 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.441 -10.342 -0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.352 -12.407 -1.805 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.024 -13.058 -0.211 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.969 -14.207 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.659 -12.797 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.047 -11.738 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.287 -13.094 -2.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.687 -13.284 -2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -10.021 -14.552 -2.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.758 -13.237 -1.259 1.00 0.00 H new ATOM 25 N VAL A 2 -3.857 -9.898 1.721 1.00 0.00 N ATOM 26 CA VAL A 2 -2.742 -8.959 1.640 1.00 0.00 C ATOM 27 C VAL A 2 -1.529 -9.607 0.974 1.00 0.00 C ATOM 28 O VAL A 2 -1.225 -10.772 1.230 1.00 0.00 O ATOM 29 CB VAL A 2 -2.337 -8.461 3.046 1.00 0.00 C ATOM 30 CG1 VAL A 2 -1.046 -7.660 2.994 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.447 -7.626 3.662 1.00 0.00 C ATOM 0 H VAL A 2 -3.775 -10.583 2.473 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.074 -8.113 1.039 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.170 -9.338 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.786 -7.323 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.244 -8.287 2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.180 -6.795 2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.140 -7.286 4.651 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.648 -6.763 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.350 -8.230 3.750 1.00 0.00 H new ATOM 41 N PHE A 3 -0.819 -8.841 0.146 1.00 0.00 N ATOM 42 CA PHE A 3 0.377 -9.347 -0.517 1.00 0.00 C ATOM 43 C PHE A 3 1.544 -9.366 0.458 1.00 0.00 C ATOM 44 O PHE A 3 1.465 -8.805 1.552 1.00 0.00 O ATOM 45 CB PHE A 3 0.768 -8.461 -1.702 1.00 0.00 C ATOM 46 CG PHE A 3 -0.182 -8.495 -2.860 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.614 -9.696 -3.396 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.624 -7.313 -3.425 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.475 -9.713 -4.476 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.484 -7.324 -4.500 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.910 -8.525 -5.029 1.00 0.00 C ATOM 0 H PHE A 3 -1.051 -7.874 -0.079 1.00 0.00 H new ATOM 0 HA PHE A 3 0.154 -10.353 -0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.855 -7.432 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.755 -8.764 -2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.275 -10.627 -2.966 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -0.291 -6.370 -3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.808 -10.655 -4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.825 -6.393 -4.929 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.582 -8.536 -5.874 1.00 0.00 H new ATOM 61 N GLY A 4 2.635 -9.987 0.042 1.00 0.00 N ATOM 62 CA GLY A 4 3.820 -10.041 0.873 1.00 0.00 C ATOM 63 C GLY A 4 4.761 -8.896 0.559 1.00 0.00 C ATOM 64 O GLY A 4 4.333 -7.862 0.045 1.00 0.00 O ATOM 0 H GLY A 4 2.722 -10.457 -0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.533 -10.002 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.333 -10.990 0.718 1.00 0.00 H new ATOM 68 N ARG A 5 6.042 -9.073 0.854 1.00 0.00 N ATOM 69 CA ARG A 5 7.029 -8.034 0.583 1.00 0.00 C ATOM 70 C ARG A 5 7.627 -8.204 -0.803 1.00 0.00 C ATOM 71 O ARG A 5 7.588 -7.282 -1.618 1.00 0.00 O ATOM 72 CB ARG A 5 8.132 -8.050 1.641 1.00 0.00 C ATOM 73 CG ARG A 5 7.818 -7.194 2.859 1.00 0.00 C ATOM 74 CD ARG A 5 8.988 -7.155 3.828 1.00 0.00 C ATOM 75 NE ARG A 5 8.999 -8.313 4.719 1.00 0.00 N ATOM 76 CZ ARG A 5 9.743 -9.395 4.514 1.00 0.00 C ATOM 77 NH1 ARG A 5 10.534 -9.469 3.452 1.00 0.00 N ATOM 78 NH2 ARG A 5 9.696 -10.405 5.371 1.00 0.00 N ATOM 0 H ARG A 5 6.421 -9.920 1.278 1.00 0.00 H new ATOM 0 HA ARG A 5 6.522 -7.070 0.623 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.301 -9.078 1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.061 -7.700 1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.574 -6.181 2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.937 -7.589 3.366 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.922 -7.120 3.267 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.938 -6.242 4.421 1.00 0.00 H new ATOM 0 HE ARG A 5 8.402 -8.290 5.545 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.573 -8.694 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.104 -10.301 3.297 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.088 -10.352 6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.267 -11.235 5.213 1.00 0.00 H new ATOM 92 N CYS A 6 8.177 -9.378 -1.072 1.00 0.00 N ATOM 93 CA CYS A 6 8.774 -9.638 -2.368 1.00 0.00 C ATOM 94 C CYS A 6 7.726 -10.083 -3.372 1.00 0.00 C ATOM 95 O CYS A 6 7.814 -9.740 -4.545 1.00 0.00 O ATOM 96 CB CYS A 6 9.872 -10.683 -2.270 1.00 0.00 C ATOM 97 SG CYS A 6 10.838 -10.609 -0.727 1.00 0.00 S ATOM 0 H CYS A 6 8.221 -10.158 -0.416 1.00 0.00 H new ATOM 0 HA CYS A 6 9.216 -8.703 -2.714 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.425 -11.673 -2.358 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.549 -10.563 -3.116 1.00 0.00 H new ATOM 102 N GLU A 7 6.731 -10.837 -2.915 1.00 0.00 N ATOM 103 CA GLU A 7 5.674 -11.295 -3.807 1.00 0.00 C ATOM 104 C GLU A 7 5.211 -10.131 -4.669 1.00 0.00 C ATOM 105 O GLU A 7 5.224 -10.201 -5.901 1.00 0.00 O ATOM 106 CB GLU A 7 4.499 -11.863 -3.007 1.00 0.00 C ATOM 107 CG GLU A 7 4.574 -13.367 -2.802 1.00 0.00 C ATOM 108 CD GLU A 7 3.346 -13.923 -2.107 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.231 -13.742 -2.640 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.500 -14.538 -1.032 1.00 0.00 O ATOM 0 H GLU A 7 6.635 -11.140 -1.946 1.00 0.00 H new ATOM 0 HA GLU A 7 6.063 -12.090 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.462 -11.373 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.569 -11.621 -3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.692 -13.856 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.460 -13.606 -2.213 1.00 0.00 H new ATOM 117 N LEU A 8 4.838 -9.043 -4.007 1.00 0.00 N ATOM 118 CA LEU A 8 4.410 -7.851 -4.706 1.00 0.00 C ATOM 119 C LEU A 8 5.573 -7.240 -5.476 1.00 0.00 C ATOM 120 O LEU A 8 5.380 -6.752 -6.585 1.00 0.00 O ATOM 121 CB LEU A 8 3.834 -6.811 -3.739 1.00 0.00 C ATOM 122 CG LEU A 8 3.719 -5.396 -4.321 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.480 -5.272 -5.194 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.695 -4.356 -3.212 1.00 0.00 C ATOM 0 H LEU A 8 4.825 -8.967 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 8 3.626 -8.144 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.845 -7.140 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.462 -6.774 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 8 4.596 -5.214 -4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.418 -4.261 -5.596 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.541 -5.986 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.592 -5.480 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.613 -3.361 -3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.840 -4.538 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.615 -4.423 -2.631 1.00 0.00 H new ATOM 136 N ALA A 9 6.783 -7.274 -4.895 1.00 0.00 N ATOM 137 CA ALA A 9 7.953 -6.708 -5.563 1.00 0.00 C ATOM 138 C ALA A 9 8.201 -7.381 -6.905 1.00 0.00 C ATOM 139 O ALA A 9 8.289 -6.710 -7.931 1.00 0.00 O ATOM 140 CB ALA A 9 9.182 -6.809 -4.681 1.00 0.00 C ATOM 0 H ALA A 9 6.970 -7.682 -3.979 1.00 0.00 H new ATOM 0 HA ALA A 9 7.749 -5.653 -5.748 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.039 -6.381 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.010 -6.263 -3.754 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.382 -7.856 -4.454 1.00 0.00 H new ATOM 146 N ALA A 10 8.300 -8.707 -6.899 1.00 0.00 N ATOM 147 CA ALA A 10 8.515 -9.451 -8.127 1.00 0.00 C ATOM 148 C ALA A 10 7.493 -9.019 -9.160 1.00 0.00 C ATOM 149 O ALA A 10 7.808 -8.866 -10.341 1.00 0.00 O ATOM 150 CB ALA A 10 8.420 -10.948 -7.869 1.00 0.00 C ATOM 0 H ALA A 10 8.235 -9.283 -6.059 1.00 0.00 H new ATOM 0 HA ALA A 10 9.516 -9.240 -8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.584 -11.489 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.177 -11.241 -7.142 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.431 -11.188 -7.479 1.00 0.00 H new ATOM 156 N ALA A 11 6.264 -8.799 -8.697 1.00 0.00 N ATOM 157 CA ALA A 11 5.197 -8.356 -9.579 1.00 0.00 C ATOM 158 C ALA A 11 5.501 -6.976 -10.123 1.00 0.00 C ATOM 159 O ALA A 11 5.247 -6.676 -11.289 1.00 0.00 O ATOM 160 CB ALA A 11 3.858 -8.375 -8.857 1.00 0.00 C ATOM 0 H ALA A 11 5.988 -8.920 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 11 5.133 -9.047 -10.419 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.074 -8.040 -9.536 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.639 -9.389 -8.523 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.900 -7.710 -7.995 1.00 0.00 H new ATOM 166 N MET A 12 6.059 -6.155 -9.262 1.00 0.00 N ATOM 167 CA MET A 12 6.430 -4.787 -9.624 1.00 0.00 C ATOM 168 C MET A 12 7.395 -4.800 -10.800 1.00 0.00 C ATOM 169 O MET A 12 7.179 -4.123 -11.805 1.00 0.00 O ATOM 170 CB MET A 12 7.096 -4.063 -8.453 1.00 0.00 C ATOM 171 CG MET A 12 6.390 -4.242 -7.124 1.00 0.00 C ATOM 172 SD MET A 12 4.698 -3.629 -7.151 1.00 0.00 S ATOM 173 CE MET A 12 4.997 -1.886 -7.412 1.00 0.00 C ATOM 0 H MET A 12 6.271 -6.405 -8.296 1.00 0.00 H new ATOM 0 HA MET A 12 5.515 -4.260 -9.893 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.121 -4.420 -8.357 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.149 -2.999 -8.682 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.385 -5.299 -6.859 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.949 -3.721 -6.347 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.080 -1.328 -7.225 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.775 -1.544 -6.730 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.319 -1.722 -8.440 1.00 0.00 H new ATOM 183 N LYS A 13 8.464 -5.582 -10.658 1.00 0.00 N ATOM 184 CA LYS A 13 9.474 -5.697 -11.702 1.00 0.00 C ATOM 185 C LYS A 13 8.814 -6.021 -13.031 1.00 0.00 C ATOM 186 O LYS A 13 9.106 -5.398 -14.052 1.00 0.00 O ATOM 187 CB LYS A 13 10.493 -6.779 -11.343 1.00 0.00 C ATOM 188 CG LYS A 13 11.886 -6.506 -11.886 1.00 0.00 C ATOM 189 CD LYS A 13 12.383 -7.657 -12.747 1.00 0.00 C ATOM 190 CE LYS A 13 13.234 -7.160 -13.905 1.00 0.00 C ATOM 191 NZ LYS A 13 14.597 -7.759 -13.889 1.00 0.00 N ATOM 0 H LYS A 13 8.651 -6.145 -9.828 1.00 0.00 H new ATOM 0 HA LYS A 13 9.996 -4.744 -11.788 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.546 -6.871 -10.258 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.144 -7.737 -11.727 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.875 -5.588 -12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.576 -6.345 -11.057 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.966 -8.345 -12.135 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.532 -8.217 -13.134 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.742 -7.402 -14.847 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.314 -6.074 -13.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.146 -7.395 -14.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.076 -7.507 -13.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.522 -8.794 -13.961 1.00 0.00 H new ATOM 205 N ARG A 14 7.913 -6.995 -13.007 1.00 0.00 N ATOM 206 CA ARG A 14 7.199 -7.397 -14.206 1.00 0.00 C ATOM 207 C ARG A 14 6.366 -6.237 -14.727 1.00 0.00 C ATOM 208 O ARG A 14 6.274 -6.021 -15.936 1.00 0.00 O ATOM 209 CB ARG A 14 6.300 -8.601 -13.916 1.00 0.00 C ATOM 210 CG ARG A 14 7.065 -9.840 -13.479 1.00 0.00 C ATOM 211 CD ARG A 14 6.690 -11.050 -14.318 1.00 0.00 C ATOM 212 NE ARG A 14 7.397 -12.254 -13.889 1.00 0.00 N ATOM 213 CZ ARG A 14 7.709 -13.257 -14.705 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.377 -13.200 -15.988 1.00 0.00 N ATOM 215 NH2 ARG A 14 8.352 -14.317 -14.238 1.00 0.00 N ATOM 0 H ARG A 14 7.661 -7.519 -12.169 1.00 0.00 H new ATOM 0 HA ARG A 14 7.926 -7.683 -14.966 1.00 0.00 H new ATOM 0 HB2 ARG A 14 5.586 -8.332 -13.138 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.723 -8.837 -14.810 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.136 -9.656 -13.562 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.858 -10.046 -12.429 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.615 -11.218 -14.252 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.917 -10.850 -15.365 1.00 0.00 H new ATOM 0 HE ARG A 14 7.667 -12.330 -12.908 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.881 -12.386 -16.351 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.617 -13.970 -16.612 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.608 -14.365 -13.252 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.591 -15.086 -14.865 1.00 0.00 H new ATOM 229 N HIS A 15 5.734 -5.508 -13.810 1.00 0.00 N ATOM 230 CA HIS A 15 4.878 -4.391 -14.176 1.00 0.00 C ATOM 231 C HIS A 15 5.685 -3.156 -14.562 1.00 0.00 C ATOM 232 O HIS A 15 5.115 -2.166 -15.021 1.00 0.00 O ATOM 233 CB HIS A 15 3.946 -4.051 -13.013 1.00 0.00 C ATOM 234 CG HIS A 15 2.646 -4.793 -13.048 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.041 -5.303 -11.917 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.830 -5.109 -14.083 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.913 -5.901 -12.255 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.762 -5.796 -13.563 1.00 0.00 N ATOM 0 H HIS A 15 5.801 -5.675 -12.806 1.00 0.00 H new ATOM 0 HA HIS A 15 4.296 -4.694 -15.046 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.455 -4.271 -12.075 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.743 -2.980 -13.022 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.408 -5.229 -10.968 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.990 -4.866 -15.123 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.230 -6.392 -11.577 1.00 0.00 H new ATOM 247 N GLY A 16 7.009 -3.220 -14.433 1.00 0.00 N ATOM 248 CA GLY A 16 7.841 -2.104 -14.836 1.00 0.00 C ATOM 249 C GLY A 16 7.912 -0.952 -13.851 1.00 0.00 C ATOM 250 O GLY A 16 8.204 0.172 -14.259 1.00 0.00 O ATOM 0 H GLY A 16 7.516 -4.022 -14.058 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.852 -2.472 -15.011 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.471 -1.723 -15.788 1.00 0.00 H new ATOM 254 N LEU A 17 7.656 -1.185 -12.561 1.00 0.00 N ATOM 255 CA LEU A 17 7.723 -0.086 -11.605 1.00 0.00 C ATOM 256 C LEU A 17 9.123 0.062 -11.040 1.00 0.00 C ATOM 257 O LEU A 17 9.414 0.997 -10.299 1.00 0.00 O ATOM 258 CB LEU A 17 6.720 -0.264 -10.462 1.00 0.00 C ATOM 259 CG LEU A 17 5.348 -0.838 -10.834 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.269 -0.215 -9.964 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.015 -0.613 -12.305 1.00 0.00 C ATOM 0 H LEU A 17 7.409 -2.093 -12.168 1.00 0.00 H new ATOM 0 HA LEU A 17 7.462 0.822 -12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.170 -0.916 -9.713 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.566 0.706 -9.990 1.00 0.00 H new ATOM 0 HG LEU A 17 5.387 -1.914 -10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.298 -0.629 -10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.476 -0.433 -8.916 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.258 0.864 -10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.035 -1.035 -12.525 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.005 0.456 -12.516 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.767 -1.099 -12.927 1.00 0.00 H new ATOM 273 N ASP A 18 9.986 -0.860 -11.404 1.00 0.00 N ATOM 274 CA ASP A 18 11.365 -0.831 -10.935 1.00 0.00 C ATOM 275 C ASP A 18 12.149 0.278 -11.636 1.00 0.00 C ATOM 276 O ASP A 18 12.689 0.091 -12.727 1.00 0.00 O ATOM 277 CB ASP A 18 12.037 -2.192 -11.134 1.00 0.00 C ATOM 278 CG ASP A 18 13.542 -2.089 -11.292 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.213 -1.670 -10.326 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.049 -2.428 -12.382 1.00 0.00 O ATOM 0 H ASP A 18 9.764 -1.640 -12.022 1.00 0.00 H new ATOM 0 HA ASP A 18 11.359 -0.616 -9.866 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.809 -2.832 -10.282 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.616 -2.674 -12.016 1.00 0.00 H new ATOM 285 N ASN A 19 12.193 1.433 -10.982 1.00 0.00 N ATOM 286 CA ASN A 19 12.896 2.609 -11.489 1.00 0.00 C ATOM 287 C ASN A 19 12.234 3.153 -12.736 1.00 0.00 C ATOM 288 O ASN A 19 12.895 3.683 -13.629 1.00 0.00 O ATOM 289 CB ASN A 19 14.369 2.293 -11.758 1.00 0.00 C ATOM 290 CG ASN A 19 15.253 3.520 -11.645 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.947 3.888 -12.593 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.233 4.159 -10.481 1.00 0.00 N ATOM 0 H ASN A 19 11.740 1.582 -10.080 1.00 0.00 H new ATOM 0 HA ASN A 19 12.844 3.378 -10.719 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.710 1.536 -11.052 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.470 1.866 -12.756 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.808 4.990 -10.346 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.642 3.818 -9.722 1.00 0.00 H new ATOM 299 N TYR A 20 10.917 3.055 -12.767 1.00 0.00 N ATOM 300 CA TYR A 20 10.158 3.577 -13.884 1.00 0.00 C ATOM 301 C TYR A 20 10.276 5.086 -13.842 1.00 0.00 C ATOM 302 O TYR A 20 10.753 5.617 -12.841 1.00 0.00 O ATOM 303 CB TYR A 20 8.689 3.149 -13.781 1.00 0.00 C ATOM 304 CG TYR A 20 7.834 3.601 -14.943 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.970 3.025 -16.199 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.886 4.605 -14.781 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.189 3.437 -17.261 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.101 5.022 -15.838 1.00 0.00 C ATOM 309 CZ TYR A 20 6.255 4.435 -17.076 1.00 0.00 C ATOM 310 OH TYR A 20 5.475 4.847 -18.132 1.00 0.00 O ATOM 0 H TYR A 20 10.355 2.621 -12.035 1.00 0.00 H new ATOM 0 HA TYR A 20 10.545 3.189 -14.826 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.642 2.062 -13.710 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.269 3.548 -12.857 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.699 2.242 -16.348 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.761 5.066 -13.813 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.309 2.980 -18.232 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.370 5.804 -15.696 1.00 0.00 H new ATOM 0 HH TYR A 20 4.868 5.556 -17.833 1.00 0.00 H new ATOM 320 N ARG A 21 9.885 5.768 -14.920 1.00 0.00 N ATOM 321 CA ARG A 21 9.976 7.226 -14.981 1.00 0.00 C ATOM 322 C ARG A 21 9.948 7.820 -13.576 1.00 0.00 C ATOM 323 O ARG A 21 10.651 8.785 -13.277 1.00 0.00 O ATOM 324 CB ARG A 21 8.826 7.796 -15.815 1.00 0.00 C ATOM 325 CG ARG A 21 8.887 7.403 -17.283 1.00 0.00 C ATOM 326 CD ARG A 21 7.660 7.886 -18.038 1.00 0.00 C ATOM 327 NE ARG A 21 7.357 7.037 -19.188 1.00 0.00 N ATOM 328 CZ ARG A 21 6.828 7.491 -20.321 1.00 0.00 C ATOM 329 NH1 ARG A 21 6.544 8.779 -20.456 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.583 6.655 -21.321 1.00 0.00 N ATOM 0 H ARG A 21 9.503 5.334 -15.761 1.00 0.00 H new ATOM 0 HA ARG A 21 10.920 7.493 -15.455 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.880 7.455 -15.395 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.836 8.883 -15.738 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.784 7.824 -17.737 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.965 6.319 -17.368 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.803 7.904 -17.364 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.821 8.910 -18.375 1.00 0.00 H new ATOM 0 HE ARG A 21 7.563 6.040 -19.118 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.731 9.426 -19.690 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.138 9.123 -21.326 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.800 5.663 -21.222 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.177 7.004 -22.189 1.00 0.00 H new ATOM 344 N GLY A 22 9.129 7.215 -12.720 1.00 0.00 N ATOM 345 CA GLY A 22 9.010 7.662 -11.349 1.00 0.00 C ATOM 346 C GLY A 22 10.145 7.162 -10.474 1.00 0.00 C ATOM 347 O GLY A 22 11.219 7.763 -10.442 1.00 0.00 O ATOM 0 H GLY A 22 8.542 6.416 -12.958 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.991 8.752 -11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.061 7.318 -10.939 1.00 0.00 H new ATOM 351 N TYR A 23 9.898 6.082 -9.731 1.00 0.00 N ATOM 352 CA TYR A 23 10.915 5.554 -8.826 1.00 0.00 C ATOM 353 C TYR A 23 11.151 4.057 -8.961 1.00 0.00 C ATOM 354 O TYR A 23 10.533 3.376 -9.779 1.00 0.00 O ATOM 355 CB TYR A 23 10.551 5.890 -7.383 1.00 0.00 C ATOM 356 CG TYR A 23 10.748 7.348 -7.034 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.839 8.309 -7.458 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.839 7.763 -6.283 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.012 9.643 -7.144 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.019 9.096 -5.964 1.00 0.00 C ATOM 361 CZ TYR A 23 11.103 10.031 -6.396 1.00 0.00 C ATOM 362 OH TYR A 23 11.280 11.359 -6.081 1.00 0.00 O ATOM 0 H TYR A 23 9.019 5.565 -9.738 1.00 0.00 H new ATOM 0 HA TYR A 23 11.850 6.036 -9.111 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.510 5.620 -7.207 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.156 5.279 -6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.983 8.008 -8.043 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.559 7.033 -5.943 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.297 10.378 -7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.873 9.403 -5.379 1.00 0.00 H new ATOM 0 HH TYR A 23 12.096 11.463 -5.549 1.00 0.00 H new ATOM 372 N SER A 24 12.089 3.569 -8.143 1.00 0.00 N ATOM 373 CA SER A 24 12.478 2.168 -8.137 1.00 0.00 C ATOM 374 C SER A 24 11.579 1.323 -7.246 1.00 0.00 C ATOM 375 O SER A 24 10.777 1.841 -6.469 1.00 0.00 O ATOM 376 CB SER A 24 13.931 2.028 -7.682 1.00 0.00 C ATOM 377 OG SER A 24 14.060 2.296 -6.296 1.00 0.00 O ATOM 0 H SER A 24 12.597 4.141 -7.468 1.00 0.00 H new ATOM 0 HA SER A 24 12.371 1.800 -9.158 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.287 1.020 -7.895 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.560 2.714 -8.248 1.00 0.00 H new ATOM 0 HG SER A 24 14.998 2.199 -6.030 1.00 0.00 H new ATOM 383 N LEU A 25 11.736 0.010 -7.379 1.00 0.00 N ATOM 384 CA LEU A 25 10.973 -0.965 -6.617 1.00 0.00 C ATOM 385 C LEU A 25 10.830 -0.573 -5.147 1.00 0.00 C ATOM 386 O LEU A 25 9.717 -0.436 -4.643 1.00 0.00 O ATOM 387 CB LEU A 25 11.656 -2.324 -6.732 1.00 0.00 C ATOM 388 CG LEU A 25 10.981 -3.296 -7.685 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.009 -4.207 -8.336 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.932 -4.109 -6.946 1.00 0.00 C ATOM 0 H LEU A 25 12.404 -0.409 -8.026 1.00 0.00 H new ATOM 0 HA LEU A 25 9.966 -1.007 -7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.685 -2.172 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.700 -2.778 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 25 10.487 -2.727 -8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.507 -4.896 -9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.726 -3.606 -8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.532 -4.774 -7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.455 -4.802 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.407 -4.670 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.181 -3.439 -6.528 1.00 0.00 H new ATOM 402 N GLY A 26 11.961 -0.421 -4.461 1.00 0.00 N ATOM 403 CA GLY A 26 11.946 -0.071 -3.048 1.00 0.00 C ATOM 404 C GLY A 26 10.930 1.005 -2.697 1.00 0.00 C ATOM 405 O GLY A 26 10.297 0.943 -1.644 1.00 0.00 O ATOM 0 H GLY A 26 12.893 -0.535 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.732 -0.966 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.939 0.270 -2.756 1.00 0.00 H new ATOM 409 N ASN A 27 10.780 1.994 -3.571 1.00 0.00 N ATOM 410 CA ASN A 27 9.841 3.085 -3.332 1.00 0.00 C ATOM 411 C ASN A 27 8.393 2.602 -3.410 1.00 0.00 C ATOM 412 O ASN A 27 7.528 3.085 -2.681 1.00 0.00 O ATOM 413 CB ASN A 27 10.071 4.216 -4.332 1.00 0.00 C ATOM 414 CG ASN A 27 11.519 4.667 -4.369 1.00 0.00 C ATOM 415 OD1 ASN A 27 11.948 5.484 -3.554 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.280 4.137 -5.319 1.00 0.00 N ATOM 0 H ASN A 27 11.295 2.063 -4.449 1.00 0.00 H new ATOM 0 HA ASN A 27 10.019 3.460 -2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.770 3.886 -5.326 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.436 5.063 -4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.262 4.404 -5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.883 3.463 -5.974 1.00 0.00 H new ATOM 423 N TRP A 28 8.141 1.637 -4.289 1.00 0.00 N ATOM 424 CA TRP A 28 6.803 1.079 -4.456 1.00 0.00 C ATOM 425 C TRP A 28 6.415 0.219 -3.268 1.00 0.00 C ATOM 426 O TRP A 28 5.278 0.271 -2.801 1.00 0.00 O ATOM 427 CB TRP A 28 6.732 0.268 -5.739 1.00 0.00 C ATOM 428 CG TRP A 28 6.953 1.126 -6.930 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.112 1.271 -7.619 1.00 0.00 C ATOM 430 CD2 TRP A 28 5.993 1.979 -7.555 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.947 2.183 -8.626 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.647 2.627 -8.617 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.645 2.258 -7.316 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.998 3.541 -9.443 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.997 3.162 -8.135 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.674 3.796 -9.190 1.00 0.00 C ATOM 0 H TRP A 28 8.847 1.224 -4.898 1.00 0.00 H new ATOM 0 HA TRP A 28 6.096 1.906 -4.517 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.481 -0.523 -5.714 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.758 -0.217 -5.812 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.030 0.744 -7.405 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.672 2.484 -9.278 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.119 1.775 -6.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.518 4.031 -10.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.955 3.385 -7.962 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.142 4.498 -9.814 1.00 0.00 H new ATOM 447 N VAL A 29 7.361 -0.569 -2.775 1.00 0.00 N ATOM 448 CA VAL A 29 7.109 -1.433 -1.636 1.00 0.00 C ATOM 449 C VAL A 29 6.903 -0.612 -0.377 1.00 0.00 C ATOM 450 O VAL A 29 5.946 -0.818 0.360 1.00 0.00 O ATOM 451 CB VAL A 29 8.276 -2.415 -1.423 1.00 0.00 C ATOM 452 CG1 VAL A 29 7.999 -3.344 -0.251 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.542 -3.206 -2.696 1.00 0.00 C ATOM 0 H VAL A 29 8.309 -0.626 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 29 6.203 -2.001 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 29 9.170 -1.839 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.838 -4.027 -0.122 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.868 -2.755 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.092 -3.916 -0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.369 -3.896 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.649 -3.769 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.798 -2.520 -3.504 1.00 0.00 H new ATOM 463 N CYS A 30 7.816 0.314 -0.138 1.00 0.00 N ATOM 464 CA CYS A 30 7.746 1.173 1.031 1.00 0.00 C ATOM 465 C CYS A 30 6.433 1.955 1.064 1.00 0.00 C ATOM 466 O CYS A 30 5.747 1.997 2.090 1.00 0.00 O ATOM 467 CB CYS A 30 8.931 2.136 1.024 1.00 0.00 C ATOM 468 SG CYS A 30 9.312 2.867 2.644 1.00 0.00 S ATOM 0 H CYS A 30 8.619 0.490 -0.742 1.00 0.00 H new ATOM 0 HA CYS A 30 7.785 0.549 1.924 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.812 1.607 0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.727 2.939 0.315 1.00 0.00 H new ATOM 473 N ALA A 31 6.090 2.579 -0.063 1.00 0.00 N ATOM 474 CA ALA A 31 4.867 3.366 -0.162 1.00 0.00 C ATOM 475 C ALA A 31 3.624 2.502 0.023 1.00 0.00 C ATOM 476 O ALA A 31 2.705 2.876 0.749 1.00 0.00 O ATOM 477 CB ALA A 31 4.813 4.085 -1.501 1.00 0.00 C ATOM 0 H ALA A 31 6.644 2.553 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 31 4.880 4.102 0.641 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.895 4.670 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.673 4.749 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.832 3.353 -2.308 1.00 0.00 H new ATOM 483 N ALA A 32 3.598 1.353 -0.642 1.00 0.00 N ATOM 484 CA ALA A 32 2.461 0.443 -0.557 1.00 0.00 C ATOM 485 C ALA A 32 2.339 -0.182 0.829 1.00 0.00 C ATOM 486 O ALA A 32 1.254 -0.213 1.410 1.00 0.00 O ATOM 487 CB ALA A 32 2.577 -0.643 -1.616 1.00 0.00 C ATOM 0 H ALA A 32 4.352 1.029 -1.247 1.00 0.00 H new ATOM 0 HA ALA A 32 1.557 1.025 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.723 -1.316 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.595 -0.186 -2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.497 -1.206 -1.460 1.00 0.00 H new ATOM 493 N LYS A 33 3.452 -0.694 1.346 1.00 0.00 N ATOM 494 CA LYS A 33 3.477 -1.336 2.656 1.00 0.00 C ATOM 495 C LYS A 33 2.786 -0.488 3.712 1.00 0.00 C ATOM 496 O LYS A 33 1.869 -0.948 4.384 1.00 0.00 O ATOM 497 CB LYS A 33 4.920 -1.606 3.084 1.00 0.00 C ATOM 498 CG LYS A 33 5.034 -2.471 4.329 1.00 0.00 C ATOM 499 CD LYS A 33 5.574 -1.680 5.510 1.00 0.00 C ATOM 500 CE LYS A 33 5.669 -2.539 6.760 1.00 0.00 C ATOM 501 NZ LYS A 33 4.502 -2.336 7.663 1.00 0.00 N ATOM 0 H LYS A 33 4.355 -0.676 0.873 1.00 0.00 H new ATOM 0 HA LYS A 33 2.936 -2.278 2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.448 -2.093 2.264 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.420 -0.655 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.055 -2.879 4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.690 -3.318 4.126 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.559 -1.284 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.926 -0.825 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.729 -3.589 6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.588 -2.301 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.605 -2.940 8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.459 -1.339 7.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.627 -2.588 7.161 1.00 0.00 H new ATOM 515 N PHE A 34 3.245 0.742 3.876 1.00 0.00 N ATOM 516 CA PHE A 34 2.667 1.623 4.879 1.00 0.00 C ATOM 517 C PHE A 34 1.306 2.153 4.458 1.00 0.00 C ATOM 518 O PHE A 34 0.515 2.582 5.298 1.00 0.00 O ATOM 519 CB PHE A 34 3.611 2.765 5.192 1.00 0.00 C ATOM 520 CG PHE A 34 4.549 2.477 6.330 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.071 2.332 7.621 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.911 2.351 6.106 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.932 2.065 8.669 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.777 2.084 7.149 1.00 0.00 C ATOM 525 CZ PHE A 34 6.287 1.942 8.432 1.00 0.00 C ATOM 0 H PHE A 34 4.007 1.150 3.335 1.00 0.00 H new ATOM 0 HA PHE A 34 2.518 1.032 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.195 2.997 4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.026 3.653 5.430 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.012 2.429 7.812 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.300 2.463 5.105 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.546 1.953 9.671 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.836 1.986 6.961 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.962 1.735 9.249 1.00 0.00 H new ATOM 535 N GLU A 35 1.038 2.134 3.163 1.00 0.00 N ATOM 536 CA GLU A 35 -0.227 2.623 2.640 1.00 0.00 C ATOM 537 C GLU A 35 -1.399 1.742 3.061 1.00 0.00 C ATOM 538 O GLU A 35 -2.396 2.231 3.593 1.00 0.00 O ATOM 539 CB GLU A 35 -0.161 2.672 1.115 1.00 0.00 C ATOM 540 CG GLU A 35 -0.270 4.073 0.542 1.00 0.00 C ATOM 541 CD GLU A 35 0.306 4.172 -0.856 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.418 3.841 -1.818 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.479 4.577 -0.988 1.00 0.00 O ATOM 0 H GLU A 35 1.681 1.784 2.453 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.391 3.620 3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.779 2.227 0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.964 2.059 0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.317 4.374 0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.251 4.772 1.197 1.00 0.00 H new ATOM 550 N SER A 36 -1.293 0.454 2.766 1.00 0.00 N ATOM 551 CA SER A 36 -2.373 -0.486 3.059 1.00 0.00 C ATOM 552 C SER A 36 -1.871 -1.772 3.705 1.00 0.00 C ATOM 553 O SER A 36 -2.621 -2.740 3.817 1.00 0.00 O ATOM 554 CB SER A 36 -3.096 -0.832 1.754 1.00 0.00 C ATOM 555 OG SER A 36 -2.172 -1.238 0.761 1.00 0.00 O ATOM 0 H SER A 36 -0.474 0.034 2.325 1.00 0.00 H new ATOM 0 HA SER A 36 -3.046 -0.005 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.818 -1.629 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.657 0.034 1.403 1.00 0.00 H new ATOM 0 HG SER A 36 -1.902 -0.461 0.228 1.00 0.00 H new ATOM 561 N ASN A 37 -0.608 -1.795 4.106 1.00 0.00 N ATOM 562 CA ASN A 37 -0.035 -2.993 4.708 1.00 0.00 C ATOM 563 C ASN A 37 -0.117 -4.141 3.710 1.00 0.00 C ATOM 564 O ASN A 37 -0.199 -5.306 4.086 1.00 0.00 O ATOM 565 CB ASN A 37 -0.770 -3.358 6.002 1.00 0.00 C ATOM 566 CG ASN A 37 -0.250 -2.588 7.199 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.959 -2.426 7.371 1.00 0.00 O ATOM 568 ND2 ASN A 37 -1.162 -2.109 8.037 1.00 0.00 N ATOM 0 H ASN A 37 0.035 -1.007 4.027 1.00 0.00 H new ATOM 0 HA ASN A 37 1.008 -2.801 4.960 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.835 -3.159 5.880 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.665 -4.427 6.187 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.871 -1.584 8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.153 -2.267 7.856 1.00 0.00 H new ATOM 575 N PHE A 38 -0.089 -3.768 2.431 1.00 0.00 N ATOM 576 CA PHE A 38 -0.153 -4.691 1.310 1.00 0.00 C ATOM 577 C PHE A 38 -1.538 -5.305 1.175 1.00 0.00 C ATOM 578 O PHE A 38 -1.710 -6.334 0.526 1.00 0.00 O ATOM 579 CB PHE A 38 0.932 -5.766 1.416 1.00 0.00 C ATOM 580 CG PHE A 38 2.318 -5.206 1.267 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.601 -4.286 0.268 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.335 -5.591 2.124 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.870 -3.762 0.128 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.607 -5.069 1.988 1.00 0.00 C ATOM 585 CZ PHE A 38 4.875 -4.155 0.988 1.00 0.00 C ATOM 0 H PHE A 38 -0.019 -2.792 2.144 1.00 0.00 H new ATOM 0 HA PHE A 38 0.038 -4.121 0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.849 -6.267 2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.765 -6.522 0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.818 -3.976 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.132 -6.307 2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.076 -3.046 -0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.392 -5.376 2.664 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.870 -3.748 0.879 1.00 0.00 H new ATOM 595 N ASN A 39 -2.536 -4.646 1.755 1.00 0.00 N ATOM 596 CA ASN A 39 -3.909 -5.119 1.660 1.00 0.00 C ATOM 597 C ASN A 39 -4.499 -4.688 0.327 1.00 0.00 C ATOM 598 O ASN A 39 -4.714 -3.501 0.081 1.00 0.00 O ATOM 599 CB ASN A 39 -4.748 -4.584 2.821 1.00 0.00 C ATOM 600 CG ASN A 39 -6.141 -5.179 2.852 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.456 -6.096 2.094 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.987 -4.659 3.735 1.00 0.00 N ATOM 0 H ASN A 39 -2.419 -3.787 2.293 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.917 -6.207 1.719 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.242 -4.802 3.762 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.821 -3.499 2.743 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.939 -5.020 3.803 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.685 -3.899 4.345 1.00 0.00 H new ATOM 609 N THR A 40 -4.722 -5.659 -0.543 1.00 0.00 N ATOM 610 CA THR A 40 -5.245 -5.397 -1.871 1.00 0.00 C ATOM 611 C THR A 40 -6.695 -4.969 -1.790 1.00 0.00 C ATOM 612 O THR A 40 -7.260 -4.431 -2.743 1.00 0.00 O ATOM 613 CB THR A 40 -5.127 -6.646 -2.764 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.324 -7.428 -2.680 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.940 -7.499 -2.341 1.00 0.00 C ATOM 0 H THR A 40 -4.546 -6.645 -0.349 1.00 0.00 H new ATOM 0 HA THR A 40 -4.655 -4.593 -2.312 1.00 0.00 H new ATOM 0 HB THR A 40 -4.979 -6.315 -3.792 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.239 -8.219 -3.253 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.875 -8.376 -2.985 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.023 -6.916 -2.428 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.071 -7.817 -1.307 1.00 0.00 H new ATOM 623 N GLN A 41 -7.292 -5.237 -0.643 1.00 0.00 N ATOM 624 CA GLN A 41 -8.683 -4.917 -0.399 1.00 0.00 C ATOM 625 C GLN A 41 -8.837 -3.771 0.603 1.00 0.00 C ATOM 626 O GLN A 41 -9.951 -3.431 1.001 1.00 0.00 O ATOM 627 CB GLN A 41 -9.381 -6.166 0.120 1.00 0.00 C ATOM 628 CG GLN A 41 -10.019 -7.012 -0.970 1.00 0.00 C ATOM 629 CD GLN A 41 -11.528 -6.872 -1.009 1.00 0.00 C ATOM 630 OE1 GLN A 41 -12.077 -6.169 -1.858 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.209 -7.542 -0.086 1.00 0.00 N ATOM 0 H GLN A 41 -6.824 -5.683 0.146 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.136 -4.586 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.658 -6.775 0.663 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.150 -5.871 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.606 -6.724 -1.937 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.759 -8.059 -0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.714 -8.113 0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.227 -7.485 -0.062 1.00 0.00 H new ATOM 640 N ALA A 42 -7.715 -3.191 1.020 1.00 0.00 N ATOM 641 CA ALA A 42 -7.729 -2.100 1.990 1.00 0.00 C ATOM 642 C ALA A 42 -8.400 -0.844 1.445 1.00 0.00 C ATOM 643 O ALA A 42 -8.066 -0.361 0.361 1.00 0.00 O ATOM 644 CB ALA A 42 -6.316 -1.771 2.436 1.00 0.00 C ATOM 0 H ALA A 42 -6.784 -3.459 0.701 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.315 -2.443 2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.343 -0.956 3.159 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.866 -2.650 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.723 -1.470 1.572 1.00 0.00 H new ATOM 650 N THR A 43 -9.333 -0.313 2.227 1.00 0.00 N ATOM 651 CA THR A 43 -10.054 0.902 1.869 1.00 0.00 C ATOM 652 C THR A 43 -9.887 1.944 2.974 1.00 0.00 C ATOM 653 O THR A 43 -10.006 1.618 4.156 1.00 0.00 O ATOM 654 CB THR A 43 -11.556 0.626 1.662 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.252 0.731 2.910 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.777 -0.758 1.068 1.00 0.00 C ATOM 0 H THR A 43 -9.610 -0.711 3.124 1.00 0.00 H new ATOM 0 HA THR A 43 -9.638 1.273 0.932 1.00 0.00 H new ATOM 0 HB THR A 43 -11.945 1.369 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.206 0.556 2.768 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.845 -0.929 0.931 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.273 -0.825 0.104 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.372 -1.512 1.743 1.00 0.00 H new ATOM 664 N ASN A 44 -9.606 3.191 2.602 1.00 0.00 N ATOM 665 CA ASN A 44 -9.421 4.251 3.594 1.00 0.00 C ATOM 666 C ASN A 44 -9.980 5.580 3.096 1.00 0.00 C ATOM 667 O ASN A 44 -9.448 6.177 2.161 1.00 0.00 O ATOM 668 CB ASN A 44 -7.938 4.404 3.933 1.00 0.00 C ATOM 669 CG ASN A 44 -7.571 3.734 5.241 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.935 2.680 5.257 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.974 4.343 6.351 1.00 0.00 N ATOM 0 H ASN A 44 -9.502 3.491 1.633 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.969 3.967 4.493 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.339 3.977 3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.688 5.464 3.988 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.758 3.938 7.262 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.499 5.216 6.292 1.00 0.00 H new ATOM 678 N ARG A 45 -11.058 6.038 3.729 1.00 0.00 N ATOM 679 CA ARG A 45 -11.693 7.297 3.350 1.00 0.00 C ATOM 680 C ARG A 45 -10.954 8.495 3.942 1.00 0.00 C ATOM 681 O ARG A 45 -10.595 8.496 5.119 1.00 0.00 O ATOM 682 CB ARG A 45 -13.154 7.310 3.805 1.00 0.00 C ATOM 683 CG ARG A 45 -13.338 6.943 5.268 1.00 0.00 C ATOM 684 CD ARG A 45 -14.749 6.449 5.545 1.00 0.00 C ATOM 685 NE ARG A 45 -14.807 5.589 6.722 1.00 0.00 N ATOM 686 CZ ARG A 45 -14.597 4.276 6.688 1.00 0.00 C ATOM 687 NH1 ARG A 45 -14.316 3.676 5.539 1.00 0.00 N ATOM 688 NH2 ARG A 45 -14.668 3.562 7.803 1.00 0.00 N ATOM 0 H ARG A 45 -11.509 5.556 4.506 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.652 7.377 2.264 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.571 8.302 3.633 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.724 6.614 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.620 6.170 5.543 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.126 7.812 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.411 7.303 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.118 5.902 4.678 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.021 6.019 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -14.261 4.222 4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.155 2.669 5.515 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.884 4.020 8.689 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.507 2.555 7.775 1.00 0.00 H new ATOM 702 N ASN A 46 -10.734 9.512 3.114 1.00 0.00 N ATOM 703 CA ASN A 46 -10.043 10.722 3.547 1.00 0.00 C ATOM 704 C ASN A 46 -11.030 11.866 3.752 1.00 0.00 C ATOM 705 O ASN A 46 -12.228 11.719 3.511 1.00 0.00 O ATOM 706 CB ASN A 46 -8.983 11.124 2.520 1.00 0.00 C ATOM 707 CG ASN A 46 -8.273 9.926 1.923 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.324 9.399 2.502 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.730 9.489 0.754 1.00 0.00 N ATOM 0 H ASN A 46 -11.025 9.522 2.137 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.555 10.512 4.499 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.454 11.699 1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.251 11.777 2.994 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.291 8.687 0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.520 9.956 0.308 1.00 0.00 H new ATOM 716 N THR A 47 -10.517 13.004 4.207 1.00 0.00 N ATOM 717 CA THR A 47 -11.349 14.178 4.454 1.00 0.00 C ATOM 718 C THR A 47 -11.522 15.021 3.195 1.00 0.00 C ATOM 719 O THR A 47 -12.417 15.863 3.122 1.00 0.00 O ATOM 720 CB THR A 47 -10.756 15.059 5.568 1.00 0.00 C ATOM 721 OG1 THR A 47 -9.399 15.398 5.255 1.00 0.00 O ATOM 722 CG2 THR A 47 -10.808 14.346 6.910 1.00 0.00 C ATOM 0 H THR A 47 -9.527 13.139 4.413 1.00 0.00 H new ATOM 0 HA THR A 47 -12.324 13.806 4.768 1.00 0.00 H new ATOM 0 HB THR A 47 -11.352 15.969 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.029 15.960 5.968 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.383 14.989 7.681 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.844 14.116 7.160 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.234 13.421 6.853 1.00 0.00 H new ATOM 730 N ASP A 48 -10.663 14.794 2.205 1.00 0.00 N ATOM 731 CA ASP A 48 -10.727 15.540 0.951 1.00 0.00 C ATOM 732 C ASP A 48 -11.996 15.198 0.174 1.00 0.00 C ATOM 733 O ASP A 48 -12.351 15.881 -0.787 1.00 0.00 O ATOM 734 CB ASP A 48 -9.494 15.247 0.094 1.00 0.00 C ATOM 735 CG ASP A 48 -9.488 13.832 -0.449 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.036 12.935 0.226 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.935 13.621 -1.549 1.00 0.00 O ATOM 0 H ASP A 48 -9.916 14.101 2.246 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.748 16.603 1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.457 15.952 -0.737 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.595 15.408 0.689 1.00 0.00 H new ATOM 742 N GLY A 49 -12.675 14.138 0.600 1.00 0.00 N ATOM 743 CA GLY A 49 -13.898 13.722 -0.064 1.00 0.00 C ATOM 744 C GLY A 49 -13.679 12.557 -1.009 1.00 0.00 C ATOM 745 O GLY A 49 -14.072 12.613 -2.175 1.00 0.00 O ATOM 0 H GLY A 49 -12.401 13.559 1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.638 13.443 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.310 14.564 -0.620 1.00 0.00 H new ATOM 749 N SER A 50 -13.052 11.501 -0.503 1.00 0.00 N ATOM 750 CA SER A 50 -12.783 10.314 -1.307 1.00 0.00 C ATOM 751 C SER A 50 -12.313 9.154 -0.439 1.00 0.00 C ATOM 752 O SER A 50 -12.406 9.202 0.787 1.00 0.00 O ATOM 753 CB SER A 50 -11.735 10.620 -2.379 1.00 0.00 C ATOM 754 OG SER A 50 -10.843 11.633 -1.949 1.00 0.00 O ATOM 0 H SER A 50 -12.720 11.442 0.460 1.00 0.00 H new ATOM 0 HA SER A 50 -13.715 10.023 -1.791 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.175 9.714 -2.613 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.231 10.934 -3.297 1.00 0.00 H new ATOM 0 HG SER A 50 -10.687 11.544 -0.985 1.00 0.00 H new ATOM 760 N THR A 51 -11.817 8.107 -1.090 1.00 0.00 N ATOM 761 CA THR A 51 -11.339 6.925 -0.385 1.00 0.00 C ATOM 762 C THR A 51 -10.146 6.295 -1.097 1.00 0.00 C ATOM 763 O THR A 51 -9.843 6.630 -2.241 1.00 0.00 O ATOM 764 CB THR A 51 -12.458 5.874 -0.255 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.722 6.525 -0.071 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.195 4.935 0.912 1.00 0.00 C ATOM 0 H THR A 51 -11.736 8.054 -2.105 1.00 0.00 H new ATOM 0 HA THR A 51 -11.027 7.250 0.607 1.00 0.00 H new ATOM 0 HB THR A 51 -12.478 5.287 -1.173 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.445 5.909 -0.312 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.001 4.204 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.248 4.418 0.757 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.147 5.509 1.837 1.00 0.00 H new ATOM 774 N ASP A 52 -9.478 5.377 -0.407 1.00 0.00 N ATOM 775 CA ASP A 52 -8.319 4.682 -0.957 1.00 0.00 C ATOM 776 C ASP A 52 -8.603 3.196 -1.069 1.00 0.00 C ATOM 777 O ASP A 52 -8.377 2.439 -0.123 1.00 0.00 O ATOM 778 CB ASP A 52 -7.092 4.919 -0.077 1.00 0.00 C ATOM 779 CG ASP A 52 -6.638 6.366 -0.096 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.490 6.928 -1.202 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.430 6.938 0.996 1.00 0.00 O ATOM 0 H ASP A 52 -9.722 5.095 0.542 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.116 5.076 -1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.321 4.626 0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.276 4.281 -0.416 1.00 0.00 H new ATOM 786 N TYR A 53 -9.108 2.783 -2.225 1.00 0.00 N ATOM 787 CA TYR A 53 -9.428 1.385 -2.446 1.00 0.00 C ATOM 788 C TYR A 53 -8.322 0.672 -3.213 1.00 0.00 C ATOM 789 O TYR A 53 -8.432 0.465 -4.416 1.00 0.00 O ATOM 790 CB TYR A 53 -10.740 1.239 -3.222 1.00 0.00 C ATOM 791 CG TYR A 53 -11.918 1.974 -2.625 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.501 1.547 -1.440 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.459 3.086 -3.259 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.588 2.207 -0.900 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.548 3.750 -2.727 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.108 3.307 -1.547 1.00 0.00 C ATOM 797 OH TYR A 53 -15.191 3.966 -1.014 1.00 0.00 O ATOM 0 H TYR A 53 -9.303 3.395 -3.018 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.531 0.927 -1.462 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.585 1.597 -4.240 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.988 0.180 -3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -12.098 0.684 -0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -12.022 3.437 -4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -14.028 1.863 0.024 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.958 4.611 -3.233 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.432 4.720 -1.592 1.00 0.00 H new ATOM 807 N GLY A 54 -7.242 0.316 -2.536 1.00 0.00 N ATOM 808 CA GLY A 54 -6.163 -0.366 -3.223 1.00 0.00 C ATOM 809 C GLY A 54 -4.909 -0.480 -2.389 1.00 0.00 C ATOM 810 O GLY A 54 -4.738 0.249 -1.412 1.00 0.00 O ATOM 0 H GLY A 54 -7.092 0.482 -1.541 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.495 -1.364 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.932 0.168 -4.145 1.00 0.00 H new ATOM 814 N ILE A 55 -4.010 -1.374 -2.795 1.00 0.00 N ATOM 815 CA ILE A 55 -2.749 -1.539 -2.094 1.00 0.00 C ATOM 816 C ILE A 55 -1.938 -0.268 -2.274 1.00 0.00 C ATOM 817 O ILE A 55 -1.082 0.073 -1.456 1.00 0.00 O ATOM 818 CB ILE A 55 -1.940 -2.740 -2.629 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.720 -2.994 -1.739 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.511 -2.485 -4.067 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.096 -4.198 -2.155 1.00 0.00 C ATOM 0 H ILE A 55 -4.134 -1.988 -3.600 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.960 -1.731 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.572 -3.628 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.081 -2.111 -1.753 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.054 -3.130 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.941 -3.339 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.394 -2.343 -4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.890 -1.590 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.943 -4.315 -1.479 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.527 -5.092 -2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.461 -4.056 -3.172 1.00 0.00 H new ATOM 833 N LEU A 56 -2.255 0.439 -3.353 1.00 0.00 N ATOM 834 CA LEU A 56 -1.612 1.699 -3.674 1.00 0.00 C ATOM 835 C LEU A 56 -2.611 2.835 -3.480 1.00 0.00 C ATOM 836 O LEU A 56 -2.338 3.982 -3.833 1.00 0.00 O ATOM 837 CB LEU A 56 -1.091 1.697 -5.120 1.00 0.00 C ATOM 838 CG LEU A 56 0.432 1.827 -5.276 1.00 0.00 C ATOM 839 CD1 LEU A 56 0.979 2.918 -4.368 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.109 0.497 -4.981 1.00 0.00 C ATOM 0 H LEU A 56 -2.965 0.151 -4.027 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.760 1.839 -3.009 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.410 0.772 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.565 2.517 -5.659 1.00 0.00 H new ATOM 0 HG LEU A 56 0.648 2.106 -6.307 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.059 2.991 -4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.518 3.871 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.753 2.675 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.188 0.604 -5.096 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.881 0.191 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.744 -0.259 -5.676 1.00 0.00 H new ATOM 852 N GLN A 57 -3.776 2.495 -2.911 1.00 0.00 N ATOM 853 CA GLN A 57 -4.840 3.464 -2.652 1.00 0.00 C ATOM 854 C GLN A 57 -5.521 3.911 -3.941 1.00 0.00 C ATOM 855 O GLN A 57 -5.287 5.024 -4.412 1.00 0.00 O ATOM 856 CB GLN A 57 -4.285 4.680 -1.903 1.00 0.00 C ATOM 857 CG GLN A 57 -3.637 4.332 -0.574 1.00 0.00 C ATOM 858 CD GLN A 57 -3.431 5.547 0.310 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.901 6.568 -0.132 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.848 5.445 1.566 1.00 0.00 N ATOM 0 H GLN A 57 -4.003 1.544 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.588 2.971 -2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.552 5.182 -2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.094 5.389 -1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.259 3.607 -0.049 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.675 3.853 -0.757 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.282 4.581 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.735 6.231 2.206 1.00 0.00 H new ATOM 869 N ILE A 58 -6.359 3.046 -4.525 1.00 0.00 N ATOM 870 CA ILE A 58 -7.034 3.395 -5.757 1.00 0.00 C ATOM 871 C ILE A 58 -8.322 4.138 -5.466 1.00 0.00 C ATOM 872 O ILE A 58 -9.380 3.530 -5.298 1.00 0.00 O ATOM 873 CB ILE A 58 -7.338 2.152 -6.614 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.134 1.204 -6.627 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.713 2.563 -8.030 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.831 1.875 -7.010 1.00 0.00 C ATOM 0 H ILE A 58 -6.576 2.117 -4.163 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.361 4.041 -6.321 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.185 1.625 -6.174 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.025 0.757 -5.639 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.332 0.390 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.925 1.673 -8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.597 3.200 -8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.886 3.111 -8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.026 1.140 -6.997 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.920 2.298 -8.011 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.608 2.670 -6.298 1.00 0.00 H new ATOM 888 N ASN A 59 -8.227 5.458 -5.415 1.00 0.00 N ATOM 889 CA ASN A 59 -9.389 6.282 -5.158 1.00 0.00 C ATOM 890 C ASN A 59 -10.365 6.136 -6.309 1.00 0.00 C ATOM 891 O ASN A 59 -10.214 6.778 -7.346 1.00 0.00 O ATOM 892 CB ASN A 59 -8.982 7.747 -4.989 1.00 0.00 C ATOM 893 CG ASN A 59 -10.162 8.642 -4.668 1.00 0.00 C ATOM 894 OD1 ASN A 59 -11.234 8.168 -4.292 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.969 9.948 -4.816 1.00 0.00 N ATOM 0 H ASN A 59 -7.359 5.976 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.865 5.955 -4.233 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -8.242 7.826 -4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.503 8.096 -5.904 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.726 10.601 -4.615 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -9.064 10.297 -5.130 1.00 0.00 H new ATOM 902 N SER A 60 -11.365 5.286 -6.125 1.00 0.00 N ATOM 903 CA SER A 60 -12.368 5.053 -7.159 1.00 0.00 C ATOM 904 C SER A 60 -13.114 6.339 -7.515 1.00 0.00 C ATOM 905 O SER A 60 -13.874 6.373 -8.483 1.00 0.00 O ATOM 906 CB SER A 60 -13.363 3.987 -6.698 1.00 0.00 C ATOM 907 OG SER A 60 -14.307 4.527 -5.790 1.00 0.00 O ATOM 0 H SER A 60 -11.505 4.746 -5.271 1.00 0.00 H new ATOM 0 HA SER A 60 -11.849 4.704 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.882 3.572 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.826 3.166 -6.223 1.00 0.00 H new ATOM 0 HG SER A 60 -14.114 4.202 -4.886 1.00 0.00 H new ATOM 913 N ARG A 61 -12.895 7.394 -6.734 1.00 0.00 N ATOM 914 CA ARG A 61 -13.549 8.673 -6.982 1.00 0.00 C ATOM 915 C ARG A 61 -12.732 9.521 -7.952 1.00 0.00 C ATOM 916 O ARG A 61 -13.261 10.050 -8.929 1.00 0.00 O ATOM 917 CB ARG A 61 -13.751 9.432 -5.668 1.00 0.00 C ATOM 918 CG ARG A 61 -14.653 10.647 -5.799 1.00 0.00 C ATOM 919 CD ARG A 61 -13.948 11.915 -5.347 1.00 0.00 C ATOM 920 NE ARG A 61 -14.191 13.032 -6.256 1.00 0.00 N ATOM 921 CZ ARG A 61 -13.701 14.254 -6.072 1.00 0.00 C ATOM 922 NH1 ARG A 61 -12.945 14.517 -5.015 1.00 0.00 N ATOM 923 NH2 ARG A 61 -13.968 15.215 -6.946 1.00 0.00 N ATOM 0 H ARG A 61 -12.271 7.387 -5.927 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.522 8.474 -7.430 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.175 8.753 -4.928 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.780 9.750 -5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.970 10.756 -6.836 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.554 10.498 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.288 12.182 -4.346 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.876 11.729 -5.280 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.770 12.865 -7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.738 13.781 -4.340 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.571 15.456 -4.877 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.550 15.017 -7.760 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.592 16.152 -6.804 1.00 0.00 H new ATOM 937 N TRP A 62 -11.437 9.643 -7.675 1.00 0.00 N ATOM 938 CA TRP A 62 -10.544 10.424 -8.523 1.00 0.00 C ATOM 939 C TRP A 62 -9.972 9.566 -9.646 1.00 0.00 C ATOM 940 O TRP A 62 -9.373 10.082 -10.588 1.00 0.00 O ATOM 941 CB TRP A 62 -9.405 11.021 -7.693 1.00 0.00 C ATOM 942 CG TRP A 62 -9.374 12.519 -7.715 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.370 13.366 -7.318 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.295 13.348 -8.159 1.00 0.00 C ATOM 945 NE1 TRP A 62 -9.974 14.671 -7.487 1.00 0.00 N ATOM 946 CE2 TRP A 62 -8.704 14.687 -8.002 1.00 0.00 C ATOM 947 CE3 TRP A 62 -7.021 13.090 -8.674 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -7.886 15.761 -8.342 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -6.210 14.157 -9.010 1.00 0.00 C ATOM 950 CH2 TRP A 62 -6.645 15.478 -8.842 1.00 0.00 C ATOM 0 H TRP A 62 -10.983 9.211 -6.870 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.124 11.234 -8.966 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.501 10.682 -6.661 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.455 10.640 -8.067 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.328 13.055 -6.928 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.534 15.494 -7.265 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -6.677 12.075 -8.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.219 16.780 -8.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.224 13.969 -9.409 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.986 16.290 -9.113 1.00 0.00 H new ATOM 961 N TRP A 63 -10.178 8.255 -9.547 1.00 0.00 N ATOM 962 CA TRP A 63 -9.699 7.318 -10.558 1.00 0.00 C ATOM 963 C TRP A 63 -10.727 6.221 -10.801 1.00 0.00 C ATOM 964 O TRP A 63 -11.554 5.937 -9.938 1.00 0.00 O ATOM 965 CB TRP A 63 -8.374 6.666 -10.136 1.00 0.00 C ATOM 966 CG TRP A 63 -7.336 7.634 -9.662 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.769 7.704 -8.422 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.738 8.666 -10.437 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.850 8.728 -8.384 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.815 9.334 -9.613 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.898 9.087 -11.751 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.055 10.409 -10.072 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.154 10.146 -12.207 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.239 10.803 -11.372 1.00 0.00 C ATOM 0 H TRP A 63 -10.676 7.817 -8.772 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.540 7.888 -11.474 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.573 5.947 -9.342 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.973 6.106 -10.980 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.006 7.053 -7.594 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.288 8.992 -7.575 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.598 8.588 -12.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.349 10.912 -9.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.275 10.479 -13.227 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.669 11.634 -11.760 1.00 0.00 H new ATOM 985 N CYS A 64 -10.626 5.586 -11.965 1.00 0.00 N ATOM 986 CA CYS A 64 -11.503 4.480 -12.354 1.00 0.00 C ATOM 987 C CYS A 64 -12.985 4.764 -12.134 1.00 0.00 C ATOM 988 O CYS A 64 -13.377 5.524 -11.250 1.00 0.00 O ATOM 989 CB CYS A 64 -11.104 3.201 -11.606 1.00 0.00 C ATOM 990 SG CYS A 64 -11.937 2.968 -9.997 1.00 0.00 S ATOM 0 H CYS A 64 -9.930 5.824 -12.671 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.368 4.351 -13.428 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.322 2.342 -12.241 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.026 3.212 -11.444 1.00 0.00 H new ATOM 995 N ASN A 65 -13.812 4.127 -12.955 1.00 0.00 N ATOM 996 CA ASN A 65 -15.259 4.288 -12.860 1.00 0.00 C ATOM 997 C ASN A 65 -15.870 3.138 -12.067 1.00 0.00 C ATOM 998 O ASN A 65 -15.948 2.010 -12.552 1.00 0.00 O ATOM 999 CB ASN A 65 -15.882 4.352 -14.256 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.361 4.685 -14.213 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.748 5.852 -14.255 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.197 3.656 -14.129 1.00 0.00 N ATOM 0 H ASN A 65 -13.506 3.494 -13.694 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.468 5.223 -12.340 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.360 5.102 -14.850 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.742 3.395 -14.758 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.204 3.818 -14.097 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.832 2.704 -14.097 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.298 3.430 -10.843 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.895 2.416 -9.981 1.00 0.00 C ATOM 1011 C ASP A 66 -18.418 2.462 -10.050 1.00 0.00 C ATOM 1012 O ASP A 66 -19.092 1.485 -9.719 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.430 2.608 -8.536 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.019 3.850 -7.898 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.137 4.879 -8.597 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.360 3.795 -6.697 1.00 0.00 O ATOM 0 H ASP A 66 -16.243 4.359 -10.426 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.567 1.439 -10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.710 1.734 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.342 2.673 -8.513 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.956 3.597 -10.484 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.398 3.743 -10.591 1.00 0.00 C ATOM 1023 C GLY A 67 -21.071 3.929 -9.244 1.00 0.00 C ATOM 1024 O GLY A 67 -22.239 4.313 -9.177 1.00 0.00 O ATOM 0 H GLY A 67 -18.420 4.419 -10.764 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.626 4.598 -11.227 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.813 2.862 -11.081 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.337 3.659 -8.169 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.875 3.799 -6.821 1.00 0.00 C ATOM 1030 C ARG A 68 -20.644 5.209 -6.287 1.00 0.00 C ATOM 1031 O ARG A 68 -21.084 5.548 -5.189 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.233 2.775 -5.883 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.182 2.247 -4.818 1.00 0.00 C ATOM 1034 CD ARG A 68 -20.518 1.182 -3.961 1.00 0.00 C ATOM 1035 NE ARG A 68 -21.392 0.034 -3.740 1.00 0.00 N ATOM 1036 CZ ARG A 68 -21.084 -0.989 -2.948 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -19.924 -1.005 -2.302 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -21.933 -1.996 -2.800 1.00 0.00 N ATOM 0 H ARG A 68 -19.368 3.342 -8.206 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.949 3.617 -6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.860 1.938 -6.473 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.371 3.231 -5.396 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.515 3.070 -4.185 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -22.070 1.831 -5.294 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -19.599 0.850 -4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.236 1.613 -3.000 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.291 0.015 -4.221 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -19.268 -0.232 -2.413 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -19.689 -1.790 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -22.825 -1.988 -3.294 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -21.694 -2.779 -2.192 1.00 0.00 H new ATOM 1052 N THR A 69 -19.952 6.027 -7.074 1.00 0.00 N ATOM 1053 CA THR A 69 -19.664 7.401 -6.682 1.00 0.00 C ATOM 1054 C THR A 69 -20.398 8.394 -7.581 1.00 0.00 C ATOM 1055 O THR A 69 -20.345 8.288 -8.807 1.00 0.00 O ATOM 1056 CB THR A 69 -18.153 7.695 -6.739 1.00 0.00 C ATOM 1057 OG1 THR A 69 -17.411 6.538 -6.335 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.795 8.870 -5.841 1.00 0.00 C ATOM 0 H THR A 69 -19.581 5.762 -7.986 1.00 0.00 H new ATOM 0 HA THR A 69 -20.011 7.518 -5.655 1.00 0.00 H new ATOM 0 HB THR A 69 -17.896 7.951 -7.767 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.452 6.734 -6.376 1.00 0.00 H new ATOM 0 HG21 THR A 69 -16.723 9.058 -5.898 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.337 9.757 -6.169 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.068 8.638 -4.812 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.096 9.376 -6.983 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.842 10.386 -7.738 1.00 0.00 C ATOM 1068 C PRO A 70 -20.935 11.462 -8.329 1.00 0.00 C ATOM 1069 O PRO A 70 -21.344 12.612 -8.489 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.769 10.988 -6.684 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.020 10.847 -5.405 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.218 9.577 -5.525 1.00 0.00 C ATOM 0 HA PRO A 70 -22.362 9.957 -8.595 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.991 12.033 -6.901 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.722 10.461 -6.646 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.368 11.705 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -22.703 10.797 -4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -20.241 9.674 -5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.723 8.738 -5.046 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.703 11.080 -8.654 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.761 12.025 -9.223 1.00 0.00 C ATOM 1082 C GLY A 71 -17.554 11.343 -9.839 1.00 0.00 C ATOM 1083 O GLY A 71 -16.508 11.966 -10.018 1.00 0.00 O ATOM 0 H GLY A 71 -19.342 10.134 -8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.265 12.622 -9.984 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.428 12.714 -8.446 1.00 0.00 H new ATOM 1087 N SER A 72 -17.701 10.059 -10.159 1.00 0.00 N ATOM 1088 CA SER A 72 -16.615 9.289 -10.756 1.00 0.00 C ATOM 1089 C SER A 72 -16.073 9.985 -12.000 1.00 0.00 C ATOM 1090 O SER A 72 -16.734 10.027 -13.039 1.00 0.00 O ATOM 1091 CB SER A 72 -17.097 7.882 -11.114 1.00 0.00 C ATOM 1092 OG SER A 72 -18.487 7.873 -11.385 1.00 0.00 O ATOM 0 H SER A 72 -18.562 9.531 -10.014 1.00 0.00 H new ATOM 0 HA SER A 72 -15.811 9.215 -10.024 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.551 7.518 -11.984 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.879 7.200 -10.293 1.00 0.00 H new ATOM 0 HG SER A 72 -18.770 6.963 -11.613 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.866 10.532 -11.886 1.00 0.00 N ATOM 1099 CA ARG A 73 -14.234 11.231 -12.999 1.00 0.00 C ATOM 1100 C ARG A 73 -13.801 10.253 -14.087 1.00 0.00 C ATOM 1101 O ARG A 73 -13.945 10.535 -15.277 1.00 0.00 O ATOM 1102 CB ARG A 73 -13.024 12.027 -12.504 1.00 0.00 C ATOM 1103 CG ARG A 73 -13.040 13.485 -12.934 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.737 14.184 -12.581 1.00 0.00 C ATOM 1105 NE ARG A 73 -11.783 14.788 -11.252 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.350 15.963 -10.994 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.917 16.658 -11.971 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -12.350 16.444 -9.759 1.00 0.00 N ATOM 0 H ARG A 73 -14.306 10.504 -11.034 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.966 11.917 -13.426 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.987 11.978 -11.416 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.113 11.557 -12.875 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.207 13.547 -14.009 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.872 13.999 -12.452 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.917 13.467 -12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.527 14.955 -13.322 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.356 14.280 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.919 16.292 -12.923 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.351 17.559 -11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.915 15.913 -9.005 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -12.785 17.345 -9.563 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.258 9.110 -13.669 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.789 8.090 -14.606 1.00 0.00 C ATOM 1124 C ASN A 74 -11.570 8.602 -15.357 1.00 0.00 C ATOM 1125 O ASN A 74 -11.385 8.324 -16.543 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.897 7.704 -15.591 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.726 6.299 -16.132 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.255 5.404 -15.430 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.109 6.098 -17.388 1.00 0.00 N ATOM 0 H ASN A 74 -13.132 8.867 -12.686 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.513 7.199 -14.041 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.864 7.784 -15.095 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.905 8.411 -16.420 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.018 5.173 -17.807 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.494 6.869 -17.933 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.731 9.337 -14.637 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.508 9.884 -15.178 1.00 0.00 C ATOM 1138 C LEU A 75 -8.624 8.789 -15.699 1.00 0.00 C ATOM 1139 O LEU A 75 -8.088 8.833 -16.805 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.777 10.569 -14.046 1.00 0.00 C ATOM 1141 CG LEU A 75 -9.034 12.067 -13.906 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.358 12.616 -12.660 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.560 12.812 -15.145 1.00 0.00 C ATOM 0 H LEU A 75 -10.888 9.568 -13.656 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.745 10.570 -15.991 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.054 10.082 -13.111 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.707 10.413 -14.181 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.109 12.219 -13.806 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.555 13.685 -12.581 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.751 12.108 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.283 12.449 -12.726 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.753 13.878 -15.024 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.491 12.649 -15.280 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.097 12.443 -16.019 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.499 7.815 -14.845 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.704 6.652 -15.093 1.00 0.00 C ATOM 1157 C CYS A 76 -8.412 5.740 -16.084 1.00 0.00 C ATOM 1158 O CYS A 76 -7.778 5.041 -16.874 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.495 5.971 -13.763 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.789 5.433 -13.445 1.00 0.00 S ATOM 0 H CYS A 76 -8.959 7.809 -13.935 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.741 6.911 -15.533 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.800 6.653 -12.969 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.152 5.103 -13.708 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.743 5.759 -16.024 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.565 4.937 -16.902 1.00 0.00 C ATOM 1167 C ASN A 77 -10.130 3.486 -16.795 1.00 0.00 C ATOM 1168 O ASN A 77 -9.824 2.836 -17.794 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.451 5.419 -18.351 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.664 5.046 -19.181 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -11.996 3.870 -19.322 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.332 6.051 -19.738 1.00 0.00 N ATOM 0 H ASN A 77 -10.274 6.338 -15.373 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.607 5.023 -16.594 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.325 6.502 -18.362 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.558 4.990 -18.805 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.156 5.862 -20.309 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.021 7.012 -19.594 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.087 2.996 -15.564 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.667 1.632 -15.304 1.00 0.00 C ATOM 1181 C ILE A 78 -10.729 0.852 -14.538 1.00 0.00 C ATOM 1182 O ILE A 78 -11.567 1.440 -13.856 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.345 1.603 -14.507 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.612 1.334 -13.015 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.605 2.913 -14.704 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.683 2.068 -12.070 1.00 0.00 C ATOM 0 H ILE A 78 -10.339 3.526 -14.730 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.517 1.159 -16.274 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.722 0.790 -14.879 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.640 1.616 -12.786 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.526 0.263 -12.830 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.672 2.892 -14.141 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.387 3.052 -15.763 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.224 3.737 -14.350 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.942 1.821 -11.040 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.653 1.769 -12.267 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.784 3.143 -12.222 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.694 -0.487 -14.611 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.631 -1.330 -13.888 1.00 0.00 C ATOM 1200 C PRO A 79 -11.197 -1.450 -12.433 1.00 0.00 C ATOM 1201 O PRO A 79 -10.190 -2.091 -12.129 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.542 -2.689 -14.602 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.526 -2.524 -15.694 1.00 0.00 C ATOM 1204 CD PRO A 79 -9.731 -1.291 -15.367 1.00 0.00 C ATOM 0 HA PRO A 79 -12.647 -0.936 -13.881 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.243 -3.474 -13.908 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.510 -2.977 -15.012 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.877 -3.398 -15.753 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.014 -2.423 -16.664 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -8.844 -1.524 -14.777 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.390 -0.777 -16.266 1.00 0.00 H new ATOM 1212 N CYS A 80 -11.940 -0.809 -11.542 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.610 -0.821 -10.122 1.00 0.00 C ATOM 1214 C CYS A 80 -11.586 -2.242 -9.557 1.00 0.00 C ATOM 1215 O CYS A 80 -10.570 -2.685 -9.029 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.601 0.055 -9.354 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.257 1.455 -10.327 1.00 0.00 S ATOM 0 H CYS A 80 -12.776 -0.274 -11.776 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.606 -0.414 -10.002 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.433 -0.563 -9.018 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.112 0.443 -8.461 1.00 0.00 H new ATOM 1222 N SER A 81 -12.709 -2.945 -9.652 1.00 0.00 N ATOM 1223 CA SER A 81 -12.808 -4.309 -9.132 1.00 0.00 C ATOM 1224 C SER A 81 -11.726 -5.229 -9.708 1.00 0.00 C ATOM 1225 O SER A 81 -11.384 -6.243 -9.102 1.00 0.00 O ATOM 1226 CB SER A 81 -14.191 -4.887 -9.436 1.00 0.00 C ATOM 1227 OG SER A 81 -14.517 -4.738 -10.807 1.00 0.00 O ATOM 0 H SER A 81 -13.565 -2.596 -10.084 1.00 0.00 H new ATOM 0 HA SER A 81 -12.657 -4.256 -8.054 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.214 -5.943 -9.166 1.00 0.00 H new ATOM 0 HB3 SER A 81 -14.941 -4.385 -8.824 1.00 0.00 H new ATOM 0 HG SER A 81 -15.405 -5.117 -10.975 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.200 -4.880 -10.880 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.169 -5.693 -11.527 1.00 0.00 C ATOM 1235 C ALA A 82 -8.829 -5.595 -10.802 1.00 0.00 C ATOM 1236 O ALA A 82 -7.889 -6.329 -11.112 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.010 -5.281 -12.982 1.00 0.00 C ATOM 0 H ALA A 82 -11.468 -4.044 -11.400 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.493 -6.733 -11.480 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.240 -5.893 -13.452 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.956 -5.422 -13.506 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.720 -4.232 -13.033 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.745 -4.685 -9.840 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.515 -4.493 -9.076 1.00 0.00 C ATOM 1245 C LEU A 83 -7.630 -5.099 -7.683 1.00 0.00 C ATOM 1246 O LEU A 83 -6.653 -5.146 -6.934 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.174 -3.001 -8.971 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.888 -2.237 -7.855 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -6.992 -2.115 -6.631 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.316 -0.862 -8.342 1.00 0.00 C ATOM 0 H LEU A 83 -9.511 -4.069 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.712 -5.005 -9.607 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.098 -2.902 -8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.411 -2.525 -9.922 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.780 -2.796 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.518 -1.568 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.734 -3.110 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.081 -1.579 -6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.823 -0.332 -7.536 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.438 -0.296 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.995 -0.971 -9.188 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.830 -5.540 -7.329 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.072 -6.116 -6.013 1.00 0.00 C ATOM 1264 C LEU A 84 -9.028 -7.643 -6.032 1.00 0.00 C ATOM 1265 O LEU A 84 -8.951 -8.273 -4.977 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.423 -5.630 -5.490 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.809 -4.221 -5.942 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.257 -3.922 -5.595 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.883 -3.189 -5.317 1.00 0.00 C ATOM 0 H LEU A 84 -9.650 -5.510 -7.934 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.274 -5.785 -5.349 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.196 -6.327 -5.815 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.407 -5.657 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.702 -4.168 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.510 -2.915 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.907 -4.641 -6.094 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.395 -3.995 -4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.172 -2.192 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.956 -3.245 -4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.856 -3.390 -5.622 1.00 0.00 H new ATOM 1281 N SER A 85 -9.100 -8.240 -7.222 1.00 0.00 N ATOM 1282 CA SER A 85 -9.084 -9.699 -7.341 1.00 0.00 C ATOM 1283 C SER A 85 -7.686 -10.270 -7.138 1.00 0.00 C ATOM 1284 O SER A 85 -7.271 -11.205 -7.826 1.00 0.00 O ATOM 1285 CB SER A 85 -9.645 -10.134 -8.695 1.00 0.00 C ATOM 1286 OG SER A 85 -11.026 -10.442 -8.600 1.00 0.00 O ATOM 0 H SER A 85 -9.169 -7.742 -8.110 1.00 0.00 H new ATOM 0 HA SER A 85 -9.720 -10.097 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.496 -9.340 -9.426 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.099 -11.006 -9.055 1.00 0.00 H new ATOM 0 HG SER A 85 -11.361 -10.716 -9.479 1.00 0.00 H new ATOM 1292 N SER A 86 -6.976 -9.689 -6.188 1.00 0.00 N ATOM 1293 CA SER A 86 -5.615 -10.100 -5.852 1.00 0.00 C ATOM 1294 C SER A 86 -4.705 -9.777 -7.012 1.00 0.00 C ATOM 1295 O SER A 86 -3.665 -10.401 -7.215 1.00 0.00 O ATOM 1296 CB SER A 86 -5.558 -11.596 -5.528 1.00 0.00 C ATOM 1297 OG SER A 86 -6.268 -11.887 -4.336 1.00 0.00 O ATOM 0 H SER A 86 -7.324 -8.915 -5.622 1.00 0.00 H new ATOM 0 HA SER A 86 -5.287 -9.558 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 86 -5.980 -12.167 -6.355 1.00 0.00 H new ATOM 0 HB3 SER A 86 -4.519 -11.909 -5.422 1.00 0.00 H new ATOM 0 HG SER A 86 -6.218 -12.848 -4.152 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.147 -8.806 -7.788 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.447 -8.372 -8.973 1.00 0.00 C ATOM 1305 C ASP A 87 -4.064 -6.901 -8.871 1.00 0.00 C ATOM 1306 O ASP A 87 -4.936 -6.032 -8.843 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.379 -8.590 -10.152 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.679 -8.465 -11.490 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.609 -9.087 -11.661 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.200 -7.746 -12.369 1.00 0.00 O ATOM 0 H ASP A 87 -6.011 -8.294 -7.608 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.524 -8.940 -9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.829 -9.580 -10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.192 -7.866 -10.104 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.767 -6.616 -8.821 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.305 -5.238 -8.727 1.00 0.00 C ATOM 1317 C ILE A 88 -2.234 -4.590 -10.100 1.00 0.00 C ATOM 1318 O ILE A 88 -1.978 -3.397 -10.206 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.919 -5.128 -8.062 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.089 -6.387 -8.322 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.065 -4.877 -6.570 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.404 -6.152 -8.232 1.00 0.00 C ATOM 0 H ILE A 88 -2.024 -7.314 -8.844 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.034 -4.718 -8.105 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.393 -4.281 -8.503 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.372 -7.155 -7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.329 -6.774 -9.312 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.077 -4.802 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.610 -3.947 -6.409 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.612 -5.702 -6.114 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.932 -7.086 -8.427 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.700 -5.407 -8.970 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.656 -5.794 -7.234 1.00 0.00 H new ATOM 1334 N THR A 89 -2.444 -5.380 -11.147 1.00 0.00 N ATOM 1335 CA THR A 89 -2.388 -4.867 -12.511 1.00 0.00 C ATOM 1336 C THR A 89 -3.183 -3.573 -12.654 1.00 0.00 C ATOM 1337 O THR A 89 -2.636 -2.542 -13.040 1.00 0.00 O ATOM 1338 CB THR A 89 -2.923 -5.899 -13.522 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.384 -7.194 -13.231 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.560 -5.501 -14.944 1.00 0.00 C ATOM 0 H THR A 89 -2.654 -6.376 -11.078 1.00 0.00 H new ATOM 0 HA THR A 89 -1.338 -4.666 -12.725 1.00 0.00 H new ATOM 0 HB THR A 89 -4.009 -5.930 -13.436 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.730 -7.845 -13.877 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.948 -6.244 -15.640 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.995 -4.528 -15.172 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.476 -5.445 -15.041 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.477 -3.635 -12.358 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.341 -2.477 -12.469 1.00 0.00 C ATOM 1350 C ALA A 90 -4.910 -1.347 -11.533 1.00 0.00 C ATOM 1351 O ALA A 90 -4.848 -0.186 -11.938 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.787 -2.869 -12.205 1.00 0.00 C ATOM 0 H ALA A 90 -4.947 -4.482 -12.038 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.255 -2.101 -13.489 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.424 -1.989 -12.292 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.100 -3.617 -12.933 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.874 -3.282 -11.200 1.00 0.00 H new ATOM 1358 N SER A 91 -4.606 -1.692 -10.282 1.00 0.00 N ATOM 1359 CA SER A 91 -4.174 -0.701 -9.296 1.00 0.00 C ATOM 1360 C SER A 91 -2.865 -0.046 -9.708 1.00 0.00 C ATOM 1361 O SER A 91 -2.644 1.141 -9.456 1.00 0.00 O ATOM 1362 CB SER A 91 -4.010 -1.351 -7.921 1.00 0.00 C ATOM 1363 OG SER A 91 -4.200 -2.753 -7.993 1.00 0.00 O ATOM 0 H SER A 91 -4.651 -2.647 -9.928 1.00 0.00 H new ATOM 0 HA SER A 91 -4.945 0.068 -9.243 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.016 -1.135 -7.530 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.728 -0.919 -7.223 1.00 0.00 H new ATOM 0 HG SER A 91 -4.088 -3.144 -7.102 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.998 -0.823 -10.337 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.717 -0.298 -10.766 1.00 0.00 C ATOM 1371 C VAL A 92 -0.869 0.567 -11.994 1.00 0.00 C ATOM 1372 O VAL A 92 -0.414 1.695 -11.998 1.00 0.00 O ATOM 1373 CB VAL A 92 0.331 -1.383 -11.061 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.538 -0.757 -11.759 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.750 -2.088 -9.779 1.00 0.00 C ATOM 0 H VAL A 92 -2.157 -1.806 -10.558 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.357 0.291 -9.922 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.108 -2.130 -11.722 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.279 -1.529 -11.967 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.220 -0.298 -12.695 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.977 0.004 -11.114 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.492 -2.852 -10.010 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.179 -1.362 -9.088 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.121 -2.555 -9.319 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.511 0.044 -13.030 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.709 0.797 -14.241 1.00 0.00 C ATOM 1387 C ASN A 93 -2.127 2.219 -13.909 1.00 0.00 C ATOM 1388 O ASN A 93 -1.619 3.190 -14.478 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.742 0.106 -15.114 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.931 0.986 -15.448 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.845 1.870 -16.301 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -5.050 0.748 -14.774 1.00 0.00 N ATOM 0 H ASN A 93 -1.900 -0.899 -13.047 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.772 0.845 -14.796 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.267 -0.217 -16.040 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.095 -0.792 -14.606 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.883 1.308 -14.955 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.077 0.005 -14.076 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.040 2.329 -12.953 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.515 3.622 -12.512 1.00 0.00 C ATOM 1401 C CYS A 94 -2.367 4.433 -11.931 1.00 0.00 C ATOM 1402 O CYS A 94 -2.175 5.594 -12.291 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.624 3.469 -11.475 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.834 4.825 -11.508 1.00 0.00 S ATOM 0 H CYS A 94 -3.463 1.535 -12.472 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.922 4.148 -13.376 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.142 2.525 -11.644 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.178 3.414 -10.482 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.601 3.817 -11.031 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.476 4.508 -10.416 1.00 0.00 C ATOM 1411 C ALA A 95 0.623 4.761 -11.433 1.00 0.00 C ATOM 1412 O ALA A 95 1.257 5.805 -11.408 1.00 0.00 O ATOM 1413 CB ALA A 95 0.062 3.747 -9.228 1.00 0.00 C ATOM 0 H ALA A 95 -1.738 2.856 -10.717 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.840 5.470 -10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.900 4.293 -8.795 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.724 3.637 -8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.398 2.761 -9.549 1.00 0.00 H new ATOM 1419 N LYS A 96 0.832 3.816 -12.346 1.00 0.00 N ATOM 1420 CA LYS A 96 1.834 3.986 -13.382 1.00 0.00 C ATOM 1421 C LYS A 96 1.621 5.365 -13.988 1.00 0.00 C ATOM 1422 O LYS A 96 2.558 6.092 -14.325 1.00 0.00 O ATOM 1423 CB LYS A 96 1.688 2.904 -14.456 1.00 0.00 C ATOM 1424 CG LYS A 96 2.842 2.869 -15.445 1.00 0.00 C ATOM 1425 CD LYS A 96 3.146 1.450 -15.896 1.00 0.00 C ATOM 1426 CE LYS A 96 2.321 1.063 -17.112 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.167 0.890 -18.326 1.00 0.00 N ATOM 0 H LYS A 96 0.323 2.933 -12.386 1.00 0.00 H new ATOM 0 HA LYS A 96 2.837 3.896 -12.964 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.606 1.931 -13.971 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.758 3.068 -15.001 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.598 3.483 -16.312 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.730 3.304 -14.986 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.207 1.361 -16.131 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.941 0.756 -15.081 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.786 0.136 -16.907 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.569 1.830 -17.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.566 0.626 -19.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.658 1.782 -18.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.868 0.141 -18.157 1.00 0.00 H new ATOM 1441 N LYS A 97 0.340 5.716 -14.051 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.092 7.012 -14.546 1.00 0.00 C ATOM 1443 C LYS A 97 0.023 8.053 -13.436 1.00 0.00 C ATOM 1444 O LYS A 97 0.407 9.199 -13.681 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.534 6.940 -15.054 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.727 5.960 -16.200 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.531 6.577 -17.332 1.00 0.00 C ATOM 1448 CE LYS A 97 -1.978 6.179 -18.691 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.052 5.715 -19.613 1.00 0.00 N ATOM 0 H LYS A 97 -0.425 5.108 -13.760 1.00 0.00 H new ATOM 0 HA LYS A 97 0.551 7.302 -15.377 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.187 6.655 -14.229 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.846 7.933 -15.379 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.754 5.641 -16.575 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.236 5.068 -15.835 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.571 6.261 -17.255 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.520 7.663 -17.238 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.460 7.029 -19.135 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.240 5.387 -18.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.634 5.453 -20.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.530 4.888 -19.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.743 6.480 -19.754 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.297 7.641 -12.208 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.215 8.534 -11.061 1.00 0.00 C ATOM 1465 C ILE A 98 1.204 9.070 -10.898 1.00 0.00 C ATOM 1466 O ILE A 98 1.411 10.269 -10.742 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.666 7.849 -9.755 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.141 7.442 -9.854 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.453 8.782 -8.570 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.609 6.572 -8.706 1.00 0.00 C ATOM 0 H ILE A 98 -0.614 6.697 -11.987 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.897 9.362 -11.256 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.066 6.952 -9.604 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.756 8.341 -9.891 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.300 6.909 -10.791 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.775 8.286 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.604 9.036 -8.492 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.035 9.692 -8.714 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.661 6.324 -8.843 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.020 5.655 -8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.483 7.110 -7.767 1.00 0.00 H new ATOM 1482 N VAL A 99 2.175 8.163 -10.929 1.00 0.00 N ATOM 1483 CA VAL A 99 3.578 8.519 -10.782 1.00 0.00 C ATOM 1484 C VAL A 99 4.124 9.179 -12.047 1.00 0.00 C ATOM 1485 O VAL A 99 5.069 9.967 -11.983 1.00 0.00 O ATOM 1486 CB VAL A 99 4.435 7.282 -10.446 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.527 6.346 -11.640 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.822 7.700 -9.981 1.00 0.00 C ATOM 0 H VAL A 99 2.010 7.164 -11.056 1.00 0.00 H new ATOM 0 HA VAL A 99 3.637 9.231 -9.959 1.00 0.00 H new ATOM 0 HB VAL A 99 3.949 6.744 -9.632 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.137 5.481 -11.378 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.527 6.014 -11.920 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.983 6.871 -12.479 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.411 6.813 -9.749 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.315 8.266 -10.771 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.735 8.321 -9.089 1.00 0.00 H new ATOM 1498 N SER A 100 3.527 8.863 -13.197 1.00 0.00 N ATOM 1499 CA SER A 100 3.967 9.445 -14.462 1.00 0.00 C ATOM 1500 C SER A 100 3.318 10.807 -14.692 1.00 0.00 C ATOM 1501 O SER A 100 3.632 11.499 -15.661 1.00 0.00 O ATOM 1502 CB SER A 100 3.635 8.508 -15.626 1.00 0.00 C ATOM 1503 OG SER A 100 4.322 8.893 -16.802 1.00 0.00 O ATOM 0 H SER A 100 2.745 8.213 -13.277 1.00 0.00 H new ATOM 0 HA SER A 100 5.047 9.580 -14.411 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.905 7.485 -15.362 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.561 8.517 -15.809 1.00 0.00 H new ATOM 0 HG SER A 100 4.417 9.868 -16.821 1.00 0.00 H new ATOM 1509 N ASP A 101 2.409 11.186 -13.798 1.00 0.00 N ATOM 1510 CA ASP A 101 1.715 12.466 -13.911 1.00 0.00 C ATOM 1511 C ASP A 101 1.685 13.215 -12.580 1.00 0.00 C ATOM 1512 O ASP A 101 1.284 14.378 -12.525 1.00 0.00 O ATOM 1513 CB ASP A 101 0.287 12.250 -14.415 1.00 0.00 C ATOM 1514 CG ASP A 101 0.215 12.157 -15.926 1.00 0.00 C ATOM 1515 OD1 ASP A 101 0.352 13.203 -16.593 1.00 0.00 O ATOM 1516 OD2 ASP A 101 0.022 11.036 -16.443 1.00 0.00 O ATOM 0 H ASP A 101 2.136 10.627 -12.989 1.00 0.00 H new ATOM 0 HA ASP A 101 2.267 13.075 -14.626 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.115 11.336 -13.978 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.344 13.071 -14.074 1.00 0.00 H new ATOM 1521 N GLY A 102 2.095 12.543 -11.509 1.00 0.00 N ATOM 1522 CA GLY A 102 2.087 13.166 -10.195 1.00 0.00 C ATOM 1523 C GLY A 102 3.470 13.549 -9.706 1.00 0.00 C ATOM 1524 O GLY A 102 4.259 14.134 -10.448 1.00 0.00 O ATOM 0 H GLY A 102 2.432 11.580 -11.526 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.460 14.057 -10.227 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.632 12.482 -9.479 1.00 0.00 H new ATOM 1528 N ASN A 103 3.758 13.225 -8.448 1.00 0.00 N ATOM 1529 CA ASN A 103 5.050 13.548 -7.851 1.00 0.00 C ATOM 1530 C ASN A 103 5.730 12.302 -7.284 1.00 0.00 C ATOM 1531 O ASN A 103 6.084 12.258 -6.107 1.00 0.00 O ATOM 1532 CB ASN A 103 4.876 14.595 -6.749 1.00 0.00 C ATOM 1533 CG ASN A 103 5.868 15.735 -6.870 1.00 0.00 C ATOM 1534 OD1 ASN A 103 6.289 16.092 -7.970 1.00 0.00 O ATOM 1535 ND2 ASN A 103 6.248 16.312 -5.736 1.00 0.00 N ATOM 0 H ASN A 103 3.114 12.739 -7.823 1.00 0.00 H new ATOM 0 HA ASN A 103 5.688 13.953 -8.636 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.862 14.994 -6.788 1.00 0.00 H new ATOM 0 HB3 ASN A 103 4.993 14.117 -5.776 1.00 0.00 H new ATOM 0 HD21 ASN A 103 6.915 17.084 -5.755 1.00 0.00 H new ATOM 0 HD22 ASN A 103 5.873 15.983 -4.846 1.00 0.00 H new ATOM 1542 N GLY A 104 5.919 11.301 -8.134 1.00 0.00 N ATOM 1543 CA GLY A 104 6.569 10.074 -7.711 1.00 0.00 C ATOM 1544 C GLY A 104 5.883 9.401 -6.535 1.00 0.00 C ATOM 1545 O GLY A 104 4.681 9.149 -6.570 1.00 0.00 O ATOM 0 H GLY A 104 5.633 11.317 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.599 9.379 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.602 10.293 -7.442 1.00 0.00 H new ATOM 1549 N MET A 105 6.664 9.107 -5.499 1.00 0.00 N ATOM 1550 CA MET A 105 6.161 8.451 -4.301 1.00 0.00 C ATOM 1551 C MET A 105 5.681 9.477 -3.288 1.00 0.00 C ATOM 1552 O MET A 105 5.187 9.123 -2.217 1.00 0.00 O ATOM 1553 CB MET A 105 7.271 7.611 -3.671 1.00 0.00 C ATOM 1554 CG MET A 105 8.284 7.089 -4.675 1.00 0.00 C ATOM 1555 SD MET A 105 7.535 6.029 -5.923 1.00 0.00 S ATOM 1556 CE MET A 105 6.397 5.100 -4.908 1.00 0.00 C ATOM 0 H MET A 105 7.662 9.317 -5.469 1.00 0.00 H new ATOM 0 HA MET A 105 5.324 7.813 -4.584 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.789 8.211 -2.923 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.823 6.767 -3.147 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.773 7.931 -5.164 1.00 0.00 H new ATOM 0 HG3 MET A 105 9.059 6.533 -4.148 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.227 4.121 -5.355 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.818 4.975 -3.910 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.451 5.636 -4.838 1.00 0.00 H new ATOM 1566 N ASN A 106 5.845 10.748 -3.623 1.00 0.00 N ATOM 1567 CA ASN A 106 5.446 11.826 -2.736 1.00 0.00 C ATOM 1568 C ASN A 106 3.929 11.984 -2.700 1.00 0.00 C ATOM 1569 O ASN A 106 3.367 12.389 -1.682 1.00 0.00 O ATOM 1570 CB ASN A 106 6.108 13.130 -3.174 1.00 0.00 C ATOM 1571 CG ASN A 106 7.482 12.911 -3.780 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.201 11.986 -3.400 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.856 13.765 -4.727 1.00 0.00 N ATOM 0 H ASN A 106 6.253 11.057 -4.505 1.00 0.00 H new ATOM 0 HA ASN A 106 5.776 11.578 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.470 13.631 -3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.195 13.795 -2.315 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.770 13.668 -5.169 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.229 14.517 -5.012 1.00 0.00 H new ATOM 1580 N ALA A 107 3.268 11.661 -3.810 1.00 0.00 N ATOM 1581 CA ALA A 107 1.815 11.769 -3.890 1.00 0.00 C ATOM 1582 C ALA A 107 1.154 11.047 -2.722 1.00 0.00 C ATOM 1583 O ALA A 107 0.256 11.583 -2.073 1.00 0.00 O ATOM 1584 CB ALA A 107 1.316 11.208 -5.214 1.00 0.00 C ATOM 0 H ALA A 107 3.715 11.324 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 107 1.545 12.824 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.230 11.295 -5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.760 11.768 -6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.600 10.159 -5.295 1.00 0.00 H new ATOM 1590 N TRP A 108 1.607 9.825 -2.465 1.00 0.00 N ATOM 1591 CA TRP A 108 1.063 9.021 -1.380 1.00 0.00 C ATOM 1592 C TRP A 108 1.635 9.477 -0.040 1.00 0.00 C ATOM 1593 O TRP A 108 2.842 9.682 0.100 1.00 0.00 O ATOM 1594 CB TRP A 108 1.350 7.540 -1.628 1.00 0.00 C ATOM 1595 CG TRP A 108 0.707 7.025 -2.883 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.575 6.577 -3.024 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.313 6.916 -4.177 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.802 6.194 -4.326 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.341 6.393 -5.054 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.583 7.211 -4.680 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.603 6.159 -6.404 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.840 6.979 -6.018 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.855 6.458 -6.866 1.00 0.00 C ATOM 0 H TRP A 108 2.351 9.370 -2.995 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.018 9.157 -1.346 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.428 7.389 -1.689 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.994 6.958 -0.778 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.305 6.530 -2.229 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.679 5.822 -4.690 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.350 7.613 -4.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.155 5.757 -7.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.818 7.204 -6.417 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.089 6.289 -7.907 1.00 0.00 H new ATOM 1614 N VAL A 109 0.745 9.670 0.928 1.00 0.00 N ATOM 1615 CA VAL A 109 1.121 10.147 2.258 1.00 0.00 C ATOM 1616 C VAL A 109 1.797 9.086 3.117 1.00 0.00 C ATOM 1617 O VAL A 109 2.542 9.419 4.039 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.091 10.664 3.025 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.267 11.913 3.816 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.267 10.929 2.096 1.00 0.00 C ATOM 0 H VAL A 109 -0.255 9.501 0.815 1.00 0.00 H new ATOM 0 HA VAL A 109 1.835 10.950 2.073 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.396 9.888 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.612 12.266 4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.060 11.679 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.610 12.690 3.133 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.113 11.296 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.984 11.676 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.547 10.005 1.591 1.00 0.00 H new ATOM 1630 N ALA A 110 1.547 7.819 2.828 1.00 0.00 N ATOM 1631 CA ALA A 110 2.155 6.742 3.601 1.00 0.00 C ATOM 1632 C ALA A 110 3.648 6.661 3.327 1.00 0.00 C ATOM 1633 O ALA A 110 4.422 6.201 4.167 1.00 0.00 O ATOM 1634 CB ALA A 110 1.482 5.416 3.290 1.00 0.00 C ATOM 0 H ALA A 110 0.935 7.511 2.073 1.00 0.00 H new ATOM 0 HA ALA A 110 2.013 6.959 4.660 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.949 4.625 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.423 5.477 3.542 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.590 5.193 2.228 1.00 0.00 H new ATOM 1640 N TRP A 111 4.045 7.133 2.155 1.00 0.00 N ATOM 1641 CA TRP A 111 5.448 7.134 1.782 1.00 0.00 C ATOM 1642 C TRP A 111 6.124 8.391 2.320 1.00 0.00 C ATOM 1643 O TRP A 111 7.279 8.350 2.740 1.00 0.00 O ATOM 1644 CB TRP A 111 5.613 7.031 0.261 1.00 0.00 C ATOM 1645 CG TRP A 111 7.044 7.037 -0.188 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.813 5.949 -0.488 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.880 8.184 -0.392 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.073 6.347 -0.864 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.139 7.715 -0.812 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.686 9.562 -0.259 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.196 8.574 -1.100 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.737 10.414 -0.545 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.977 9.917 -0.962 1.00 0.00 C ATOM 0 H TRP A 111 3.417 7.518 1.450 1.00 0.00 H new ATOM 0 HA TRP A 111 5.928 6.261 2.223 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.135 6.115 -0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.089 7.863 -0.210 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.479 4.923 -0.437 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.835 5.726 -1.137 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.732 9.954 0.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.155 8.194 -1.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.599 11.480 -0.445 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.778 10.608 -1.179 1.00 0.00 H new ATOM 1664 N ARG A 112 5.393 9.505 2.329 1.00 0.00 N ATOM 1665 CA ARG A 112 5.922 10.763 2.844 1.00 0.00 C ATOM 1666 C ARG A 112 5.564 10.938 4.317 1.00 0.00 C ATOM 1667 O ARG A 112 5.139 12.014 4.740 1.00 0.00 O ATOM 1668 CB ARG A 112 5.361 11.929 2.049 1.00 0.00 C ATOM 1669 CG ARG A 112 6.351 12.540 1.070 1.00 0.00 C ATOM 1670 CD ARG A 112 7.288 13.517 1.762 1.00 0.00 C ATOM 1671 NE ARG A 112 6.622 14.773 2.095 1.00 0.00 N ATOM 1672 CZ ARG A 112 7.029 15.590 3.063 1.00 0.00 C ATOM 1673 NH1 ARG A 112 8.095 15.284 3.790 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.368 16.714 3.303 1.00 0.00 N ATOM 0 H ARG A 112 4.434 9.560 1.986 1.00 0.00 H new ATOM 0 HA ARG A 112 7.007 10.741 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.482 11.592 1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.027 12.701 2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.933 11.748 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.809 13.054 0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 112 7.678 13.062 2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 112 8.142 13.720 1.115 1.00 0.00 H new ATOM 0 HE ARG A 112 5.798 15.039 1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 112 8.606 14.420 3.608 1.00 0.00 H new ATOM 0 HH12 ARG A 112 8.404 15.913 4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 112 5.548 16.952 2.746 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.680 17.341 4.045 1.00 0.00 H new ATOM 1688 N ASN A 113 5.739 9.881 5.089 1.00 0.00 N ATOM 1689 CA ASN A 113 5.435 9.927 6.515 1.00 0.00 C ATOM 1690 C ASN A 113 6.262 8.912 7.289 1.00 0.00 C ATOM 1691 O ASN A 113 7.063 9.272 8.152 1.00 0.00 O ATOM 1692 CB ASN A 113 3.945 9.670 6.749 1.00 0.00 C ATOM 1693 CG ASN A 113 3.488 10.126 8.121 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.025 9.323 8.932 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.615 11.421 8.387 1.00 0.00 N ATOM 0 H ASN A 113 6.088 8.982 4.758 1.00 0.00 H new ATOM 0 HA ASN A 113 5.690 10.923 6.878 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.365 10.188 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.741 8.605 6.636 1.00 0.00 H new ATOM 0 HD21 ASN A 113 3.323 11.786 9.294 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.004 12.050 7.685 1.00 0.00 H new ATOM 1702 N ARG A 114 6.055 7.642 6.978 1.00 0.00 N ATOM 1703 CA ARG A 114 6.768 6.566 7.647 1.00 0.00 C ATOM 1704 C ARG A 114 7.889 6.012 6.776 1.00 0.00 C ATOM 1705 O ARG A 114 8.607 5.099 7.183 1.00 0.00 O ATOM 1706 CB ARG A 114 5.796 5.447 8.007 1.00 0.00 C ATOM 1707 CG ARG A 114 5.181 5.591 9.389 1.00 0.00 C ATOM 1708 CD ARG A 114 6.072 4.987 10.462 1.00 0.00 C ATOM 1709 NE ARG A 114 6.109 5.809 11.668 1.00 0.00 N ATOM 1710 CZ ARG A 114 7.229 6.128 12.310 1.00 0.00 C ATOM 1711 NH1 ARG A 114 8.400 5.696 11.861 1.00 0.00 N ATOM 1712 NH2 ARG A 114 7.179 6.880 13.401 1.00 0.00 N ATOM 0 H ARG A 114 5.397 7.331 6.264 1.00 0.00 H new ATOM 0 HA ARG A 114 7.215 6.973 8.554 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.998 5.419 7.265 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.318 4.492 7.949 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.013 6.646 9.605 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.206 5.103 9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 114 5.711 3.990 10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.083 4.871 10.071 1.00 0.00 H new ATOM 0 HE ARG A 114 5.226 6.158 12.039 1.00 0.00 H new ATOM 0 HH11 ARG A 114 8.443 5.118 11.022 1.00 0.00 H new ATOM 0 HH12 ARG A 114 9.258 5.942 12.355 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.281 7.215 13.749 1.00 0.00 H new ATOM 0 HH22 ARG A 114 8.039 7.124 13.892 1.00 0.00 H new ATOM 1726 N CYS A 115 8.028 6.556 5.573 1.00 0.00 N ATOM 1727 CA CYS A 115 9.057 6.093 4.651 1.00 0.00 C ATOM 1728 C CYS A 115 10.118 7.157 4.397 1.00 0.00 C ATOM 1729 O CYS A 115 11.314 6.867 4.435 1.00 0.00 O ATOM 1730 CB CYS A 115 8.430 5.671 3.327 1.00 0.00 C ATOM 1731 SG CYS A 115 9.588 4.827 2.210 1.00 0.00 S ATOM 0 H CYS A 115 7.445 7.313 5.215 1.00 0.00 H new ATOM 0 HA CYS A 115 9.545 5.237 5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.586 5.011 3.528 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.032 6.553 2.825 1.00 0.00 H new ATOM 1736 N LYS A 116 9.681 8.381 4.123 1.00 0.00 N ATOM 1737 CA LYS A 116 10.604 9.477 3.849 1.00 0.00 C ATOM 1738 C LYS A 116 11.615 9.643 4.978 1.00 0.00 C ATOM 1739 O LYS A 116 11.338 10.300 5.982 1.00 0.00 O ATOM 1740 CB LYS A 116 9.829 10.782 3.646 1.00 0.00 C ATOM 1741 CG LYS A 116 10.711 11.960 3.264 1.00 0.00 C ATOM 1742 CD LYS A 116 11.014 11.970 1.775 1.00 0.00 C ATOM 1743 CE LYS A 116 12.491 11.733 1.505 1.00 0.00 C ATOM 1744 NZ LYS A 116 12.967 12.491 0.315 1.00 0.00 N ATOM 0 H LYS A 116 8.695 8.639 4.085 1.00 0.00 H new ATOM 0 HA LYS A 116 11.149 9.236 2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.080 10.633 2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.293 11.023 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.217 12.891 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.644 11.914 3.826 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.424 11.200 1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.714 12.927 1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 116 13.072 12.028 2.379 1.00 0.00 H new ATOM 0 HE3 LYS A 116 12.665 10.668 1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.979 12.302 0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.431 12.192 -0.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.824 13.509 0.472 1.00 0.00 H new ATOM 1758 N GLY A 117 12.793 9.049 4.803 1.00 0.00 N ATOM 1759 CA GLY A 117 13.829 9.152 5.812 1.00 0.00 C ATOM 1760 C GLY A 117 14.387 7.805 6.228 1.00 0.00 C ATOM 1761 O GLY A 117 15.163 7.721 7.181 1.00 0.00 O ATOM 0 H GLY A 117 13.046 8.500 3.982 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.640 9.773 5.430 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.425 9.658 6.689 1.00 0.00 H new ATOM 1765 N THR A 118 14.000 6.745 5.521 1.00 0.00 N ATOM 1766 CA THR A 118 14.477 5.403 5.835 1.00 0.00 C ATOM 1767 C THR A 118 15.285 4.825 4.674 1.00 0.00 C ATOM 1768 O THR A 118 15.930 5.565 3.930 1.00 0.00 O ATOM 1769 CB THR A 118 13.307 4.456 6.163 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.438 4.340 5.030 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.519 4.965 7.362 1.00 0.00 C ATOM 0 H THR A 118 13.359 6.791 4.729 1.00 0.00 H new ATOM 0 HA THR A 118 15.119 5.487 6.712 1.00 0.00 H new ATOM 0 HB THR A 118 13.719 3.477 6.407 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.061 5.219 4.816 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.698 4.280 7.575 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.176 5.025 8.230 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.118 5.954 7.141 1.00 0.00 H new ATOM 1779 N ASP A 119 15.251 3.502 4.522 1.00 0.00 N ATOM 1780 CA ASP A 119 15.986 2.842 3.449 1.00 0.00 C ATOM 1781 C ASP A 119 15.135 1.793 2.741 1.00 0.00 C ATOM 1782 O ASP A 119 14.902 0.704 3.269 1.00 0.00 O ATOM 1783 CB ASP A 119 17.243 2.204 3.988 1.00 0.00 C ATOM 1784 CG ASP A 119 18.359 2.159 2.964 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.304 1.297 2.062 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.289 2.987 3.063 1.00 0.00 O ATOM 0 H ASP A 119 14.725 2.870 5.126 1.00 0.00 H new ATOM 0 HA ASP A 119 16.252 3.606 2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.581 2.758 4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.018 1.190 4.320 1.00 0.00 H new ATOM 1791 N VAL A 120 14.677 2.131 1.541 1.00 0.00 N ATOM 1792 CA VAL A 120 13.857 1.232 0.742 1.00 0.00 C ATOM 1793 C VAL A 120 14.711 0.134 0.126 1.00 0.00 C ATOM 1794 O VAL A 120 14.251 -0.993 -0.060 1.00 0.00 O ATOM 1795 CB VAL A 120 13.119 1.989 -0.378 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.157 3.008 0.212 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.111 2.664 -1.314 1.00 0.00 C ATOM 0 H VAL A 120 14.863 3.031 1.098 1.00 0.00 H new ATOM 0 HA VAL A 120 13.118 0.789 1.410 1.00 0.00 H new ATOM 0 HB VAL A 120 12.542 1.268 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.644 3.533 -0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.424 2.497 0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.712 3.725 0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.569 3.193 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.718 3.373 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.757 1.910 -1.765 1.00 0.00 H new ATOM 1807 N GLN A 121 15.964 0.465 -0.176 1.00 0.00 N ATOM 1808 CA GLN A 121 16.886 -0.502 -0.753 1.00 0.00 C ATOM 1809 C GLN A 121 17.039 -1.683 0.192 1.00 0.00 C ATOM 1810 O GLN A 121 17.365 -2.796 -0.223 1.00 0.00 O ATOM 1811 CB GLN A 121 18.248 0.144 -1.015 1.00 0.00 C ATOM 1812 CG GLN A 121 19.078 -0.589 -2.055 1.00 0.00 C ATOM 1813 CD GLN A 121 20.393 0.106 -2.348 1.00 0.00 C ATOM 1814 OE1 GLN A 121 21.468 -0.460 -2.144 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.315 1.342 -2.828 1.00 0.00 N ATOM 0 H GLN A 121 16.361 1.393 -0.030 1.00 0.00 H new ATOM 0 HA GLN A 121 16.484 -0.850 -1.705 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.096 1.173 -1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.807 0.186 -0.080 1.00 0.00 H new ATOM 0 HG2 GLN A 121 19.277 -1.603 -1.707 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.504 -0.676 -2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.403 1.773 -2.982 1.00 0.00 H new ATOM 0 HE22 GLN A 121 21.167 1.860 -3.043 1.00 0.00 H new ATOM 1824 N ALA A 122 16.782 -1.425 1.472 1.00 0.00 N ATOM 1825 CA ALA A 122 16.867 -2.452 2.496 1.00 0.00 C ATOM 1826 C ALA A 122 15.523 -3.149 2.663 1.00 0.00 C ATOM 1827 O ALA A 122 15.453 -4.272 3.163 1.00 0.00 O ATOM 1828 CB ALA A 122 17.322 -1.849 3.816 1.00 0.00 C ATOM 0 H ALA A 122 16.512 -0.506 1.822 1.00 0.00 H new ATOM 0 HA ALA A 122 17.603 -3.193 2.183 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.381 -2.632 4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.304 -1.393 3.689 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.608 -1.089 4.134 1.00 0.00 H new ATOM 1834 N TRP A 123 14.454 -2.479 2.232 1.00 0.00 N ATOM 1835 CA TRP A 123 13.111 -3.047 2.330 1.00 0.00 C ATOM 1836 C TRP A 123 12.993 -4.312 1.485 1.00 0.00 C ATOM 1837 O TRP A 123 12.074 -5.111 1.671 1.00 0.00 O ATOM 1838 CB TRP A 123 12.059 -2.029 1.887 1.00 0.00 C ATOM 1839 CG TRP A 123 11.539 -1.175 3.005 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.334 0.173 2.974 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.154 -1.608 4.318 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.850 0.603 4.185 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.733 -0.476 5.023 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.125 -2.841 4.968 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.292 -0.547 6.336 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.687 -2.910 6.271 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.274 -1.766 6.945 1.00 0.00 C ATOM 0 H TRP A 123 14.492 -1.549 1.815 1.00 0.00 H new ATOM 0 HA TRP A 123 12.935 -3.305 3.374 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.489 -1.385 1.120 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.224 -2.559 1.428 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.524 0.809 2.122 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.616 1.567 4.422 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.444 -3.735 4.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.971 0.340 6.862 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.664 -3.864 6.776 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.934 -1.845 7.967 1.00 0.00 H new ATOM 1858 N ILE A 124 13.930 -4.490 0.559 1.00 0.00 N ATOM 1859 CA ILE A 124 13.936 -5.660 -0.312 1.00 0.00 C ATOM 1860 C ILE A 124 15.283 -6.369 -0.261 1.00 0.00 C ATOM 1861 O ILE A 124 15.582 -7.224 -1.096 1.00 0.00 O ATOM 1862 CB ILE A 124 13.622 -5.279 -1.771 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.488 -4.098 -2.214 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.145 -4.951 -1.928 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.965 -4.202 -3.645 1.00 0.00 C ATOM 0 H ILE A 124 14.696 -3.838 0.392 1.00 0.00 H new ATOM 0 HA ILE A 124 13.158 -6.331 0.052 1.00 0.00 H new ATOM 0 HB ILE A 124 13.854 -6.131 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.919 -3.176 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.353 -4.025 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.940 -4.684 -2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.548 -5.820 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.887 -4.113 -1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.573 -3.331 -3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.562 -5.106 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.105 -4.244 -4.313 1.00 0.00 H new ATOM 1877 N ARG A 125 16.095 -6.005 0.726 1.00 0.00 N ATOM 1878 CA ARG A 125 17.415 -6.601 0.896 1.00 0.00 C ATOM 1879 C ARG A 125 17.304 -8.080 1.254 1.00 0.00 C ATOM 1880 O ARG A 125 17.197 -8.440 2.427 1.00 0.00 O ATOM 1881 CB ARG A 125 18.198 -5.859 1.982 1.00 0.00 C ATOM 1882 CG ARG A 125 19.706 -5.960 1.820 1.00 0.00 C ATOM 1883 CD ARG A 125 20.348 -4.585 1.722 1.00 0.00 C ATOM 1884 NE ARG A 125 20.740 -4.262 0.352 1.00 0.00 N ATOM 1885 CZ ARG A 125 21.769 -3.477 0.045 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.506 -2.938 1.007 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.061 -3.231 -1.225 1.00 0.00 N ATOM 0 H ARG A 125 15.861 -5.298 1.423 1.00 0.00 H new ATOM 0 HA ARG A 125 17.948 -6.514 -0.051 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.909 -4.808 1.973 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.918 -6.258 2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 125 20.129 -6.501 2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.939 -6.537 0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.650 -3.832 2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.225 -4.547 2.369 1.00 0.00 H new ATOM 0 HE ARG A 125 20.194 -4.661 -0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.284 -3.125 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.295 -2.336 0.769 1.00 0.00 H new ATOM 0 HH21 ARG A 125 21.496 -3.644 -1.967 1.00 0.00 H new ATOM 0 HH22 ARG A 125 22.850 -2.629 -1.459 1.00 0.00 H new ATOM 1901 N GLY A 126 17.331 -8.935 0.235 1.00 0.00 N ATOM 1902 CA GLY A 126 17.234 -10.365 0.462 1.00 0.00 C ATOM 1903 C GLY A 126 16.054 -10.991 -0.258 1.00 0.00 C ATOM 1904 O GLY A 126 15.862 -12.206 -0.206 1.00 0.00 O ATOM 0 H GLY A 126 17.418 -8.662 -0.744 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.154 -10.845 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.144 -10.554 1.532 1.00 0.00 H new ATOM 1908 N CYS A 127 15.263 -10.160 -0.930 1.00 0.00 N ATOM 1909 CA CYS A 127 14.096 -10.634 -1.660 1.00 0.00 C ATOM 1910 C CYS A 127 14.497 -11.504 -2.847 1.00 0.00 C ATOM 1911 O CYS A 127 15.673 -11.815 -3.033 1.00 0.00 O ATOM 1912 CB CYS A 127 13.264 -9.458 -2.130 1.00 0.00 C ATOM 1913 SG CYS A 127 11.973 -8.942 -0.954 1.00 0.00 S ATOM 0 H CYS A 127 15.411 -9.152 -0.983 1.00 0.00 H new ATOM 0 HA CYS A 127 13.501 -11.247 -0.983 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.925 -8.613 -2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.794 -9.716 -3.079 1.00 0.00 H new ATOM 1918 N ARG A 128 13.510 -11.890 -3.648 1.00 0.00 N ATOM 1919 CA ARG A 128 13.757 -12.724 -4.819 1.00 0.00 C ATOM 1920 C ARG A 128 13.060 -12.154 -6.050 1.00 0.00 C ATOM 1921 O ARG A 128 11.979 -12.605 -6.430 1.00 0.00 O ATOM 1922 CB ARG A 128 13.279 -14.154 -4.563 1.00 0.00 C ATOM 1923 CG ARG A 128 14.369 -15.200 -4.729 1.00 0.00 C ATOM 1924 CD ARG A 128 14.320 -15.841 -6.106 1.00 0.00 C ATOM 1925 NE ARG A 128 13.775 -17.195 -6.060 1.00 0.00 N ATOM 1926 CZ ARG A 128 14.234 -18.201 -6.800 1.00 0.00 C ATOM 1927 NH1 ARG A 128 15.242 -18.004 -7.640 1.00 0.00 N ATOM 1928 NH2 ARG A 128 13.686 -19.403 -6.700 1.00 0.00 N ATOM 0 H ARG A 128 12.531 -11.639 -3.508 1.00 0.00 H new ATOM 0 HA ARG A 128 14.831 -12.736 -5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 128 12.877 -14.218 -3.552 1.00 0.00 H new ATOM 0 HB3 ARG A 128 12.461 -14.382 -5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.344 -14.738 -4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.257 -15.969 -3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.711 -15.227 -6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 128 15.324 -15.869 -6.529 1.00 0.00 H new ATOM 0 HE ARG A 128 12.999 -17.380 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 128 15.667 -17.080 -7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 128 15.592 -18.777 -8.206 1.00 0.00 H new ATOM 0 HH21 ARG A 128 12.911 -19.558 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.039 -20.173 -7.268 1.00 0.00 H new ATOM 1942 N LEU A 129 13.687 -11.160 -6.671 1.00 0.00 N ATOM 1943 CA LEU A 129 13.128 -10.526 -7.860 1.00 0.00 C ATOM 1944 C LEU A 129 14.199 -10.335 -8.929 1.00 0.00 C ATOM 1945 O LEU A 129 15.395 -10.491 -8.603 1.00 0.00 O ATOM 1946 CB LEU A 129 12.504 -9.176 -7.499 1.00 0.00 C ATOM 1947 CG LEU A 129 13.380 -8.270 -6.632 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.935 -7.118 -7.455 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.587 -7.745 -5.444 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.834 -10.032 -10.084 1.00 0.00 O ATOM 0 H LEU A 129 14.583 -10.776 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 129 12.354 -11.181 -8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 129 12.261 -8.647 -8.421 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.564 -9.355 -6.977 1.00 0.00 H new ATOM 0 HG LEU A 129 14.218 -8.857 -6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.556 -6.484 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.536 -7.513 -8.274 1.00 0.00 H new ATOM 0 HD13 LEU A 129 13.111 -6.530 -7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.224 -7.102 -4.837 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.731 -7.173 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.237 -8.583 -4.841 1.00 0.00 H new TER 1962 LEU A 129