USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 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 106 ASN : amide:sc= -0.779 X(o=-0.78,f=-0.53) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -150:sc= 0 (180deg=0) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -0.659 X(o=0.56,f=0.61) USER MOD Set 2.2: A 89 THR OG1 : rot 58:sc= 1.22 USER MOD Set 3.1: A 51 THR OG1 : rot 172:sc= -0.0206 USER MOD Set 3.2: A 53 TYR OH : rot 30:sc= 0.00868 USER MOD Set 4.1: A 24 SER OG : rot -31:sc= 0.855 USER MOD Set 4.2: A 27 ASN : amide:sc= -0.175 K(o=0.68,f=-4.2!) 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 137:sc= -11.2! (180deg=-17.4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot -15:sc= -1.15 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 0.739 (180deg=0.651) USER MOD Single : A 36 SER OG : rot -96:sc= -1.4! USER MOD Single : A 37 ASN : amide:sc= -0.289 X(o=-0.29,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.881 K(o=-0.88,f=-4!) USER MOD Single : A 40 THR OG1 : rot 105:sc= 1.23 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -15:sc= 0.449! USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=0.62) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 41:sc= 0.627 USER MOD Single : A 57 GLN : amide:sc= -2.97! C(o=-3!,f=-4.7!) USER MOD Single : A 59 ASN : amide:sc= -3.58! C(o=-3.6!,f=-7.1!) USER MOD Single : A 60 SER OG : rot -116:sc= 0.553 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 69 THR OG1 : rot 71:sc= 0.787 USER MOD Single : A 72 SER OG : rot 98:sc= 0.278 USER MOD Single : A 74 ASN : amide:sc= -5.69! C(o=-5.7!,f=-3.3!) USER MOD Single : A 77 ASN : amide:sc= -0.0241 X(o=-0.024,f=-0.19) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -54:sc= 0.0191 USER MOD Single : A 91 SER OG : rot 92:sc= -0.476 USER MOD Single : A 93 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.14) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= -0.146 (180deg=-0.161) USER MOD Single : A 100 SER OG : rot -32:sc= -0.157 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -146:sc= -3.28! (180deg=-5.91!) USER MOD Single : A 113 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.11) USER MOD Single : A 118 THR OG1 : rot -59:sc= 0.905 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.648 -10.825 2.250 1.00 0.00 N ATOM 2 CA LYS A 1 -5.762 -11.347 1.177 1.00 0.00 C ATOM 3 C LYS A 1 -4.760 -10.290 0.724 1.00 0.00 C ATOM 4 O LYS A 1 -4.919 -9.683 -0.334 1.00 0.00 O ATOM 5 CB LYS A 1 -6.633 -11.791 -0.001 1.00 0.00 C ATOM 6 CG LYS A 1 -6.610 -13.291 -0.243 1.00 0.00 C ATOM 7 CD LYS A 1 -7.914 -13.776 -0.855 1.00 0.00 C ATOM 8 CE LYS A 1 -7.890 -13.675 -2.372 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.126 -14.793 -2.991 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.319 -11.566 2.538 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.072 -10.542 3.069 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.174 -10.001 1.896 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.192 -12.192 1.563 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.661 -11.476 0.179 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.297 -11.281 -0.903 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.781 -13.541 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.434 -13.810 0.699 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -8.092 -14.810 -0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.743 -13.186 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.912 -13.679 -2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.444 -12.725 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.133 -14.688 -4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.144 -14.774 -2.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.566 -15.699 -2.732 1.00 0.00 H new ATOM 25 N VAL A 2 -3.731 -10.072 1.536 1.00 0.00 N ATOM 26 CA VAL A 2 -2.701 -9.087 1.225 1.00 0.00 C ATOM 27 C VAL A 2 -1.564 -9.714 0.422 1.00 0.00 C ATOM 28 O VAL A 2 -1.248 -10.892 0.593 1.00 0.00 O ATOM 29 CB VAL A 2 -2.126 -8.457 2.514 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.891 -7.623 2.215 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.175 -7.607 3.210 1.00 0.00 C ATOM 0 H VAL A 2 -3.588 -10.566 2.417 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.173 -8.308 0.626 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.836 -9.271 3.179 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.509 -7.193 3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.125 -8.255 1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.152 -6.822 1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.750 -7.173 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.498 -6.809 2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.031 -8.229 3.473 1.00 0.00 H new ATOM 41 N PHE A 3 -0.934 -8.913 -0.435 1.00 0.00 N ATOM 42 CA PHE A 3 0.186 -9.373 -1.240 1.00 0.00 C ATOM 43 C PHE A 3 1.378 -9.714 -0.356 1.00 0.00 C ATOM 44 O PHE A 3 1.436 -9.323 0.810 1.00 0.00 O ATOM 45 CB PHE A 3 0.615 -8.283 -2.225 1.00 0.00 C ATOM 46 CG PHE A 3 -0.113 -8.308 -3.534 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.350 -9.081 -4.583 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.249 -7.542 -3.719 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.311 -9.092 -5.795 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.916 -7.549 -4.926 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.446 -8.325 -5.967 1.00 0.00 C ATOM 0 H PHE A 3 -1.186 -7.936 -0.587 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.137 -10.262 -1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.465 -7.309 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.683 -8.383 -2.416 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.238 -9.682 -4.453 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.618 -6.931 -2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 3 0.059 -9.700 -6.607 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.804 -6.949 -5.057 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.965 -8.332 -6.914 1.00 0.00 H new ATOM 61 N GLY A 4 2.332 -10.422 -0.932 1.00 0.00 N ATOM 62 CA GLY A 4 3.531 -10.791 -0.208 1.00 0.00 C ATOM 63 C GLY A 4 4.629 -9.768 -0.407 1.00 0.00 C ATOM 64 O GLY A 4 4.628 -9.042 -1.401 1.00 0.00 O ATOM 0 H GLY A 4 2.299 -10.752 -1.897 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.304 -10.882 0.854 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.876 -11.768 -0.545 1.00 0.00 H new ATOM 68 N ARG A 5 5.563 -9.696 0.533 1.00 0.00 N ATOM 69 CA ARG A 5 6.660 -8.739 0.435 1.00 0.00 C ATOM 70 C ARG A 5 7.376 -8.873 -0.897 1.00 0.00 C ATOM 71 O ARG A 5 7.349 -7.955 -1.717 1.00 0.00 O ATOM 72 CB ARG A 5 7.647 -8.924 1.591 1.00 0.00 C ATOM 73 CG ARG A 5 7.836 -10.373 2.008 1.00 0.00 C ATOM 74 CD ARG A 5 9.203 -10.597 2.635 1.00 0.00 C ATOM 75 NE ARG A 5 9.490 -9.626 3.688 1.00 0.00 N ATOM 76 CZ ARG A 5 9.377 -9.890 4.986 1.00 0.00 C ATOM 77 NH1 ARG A 5 8.984 -11.091 5.390 1.00 0.00 N ATOM 78 NH2 ARG A 5 9.656 -8.953 5.881 1.00 0.00 N ATOM 0 H ARG A 5 5.584 -10.284 1.366 1.00 0.00 H new ATOM 0 HA ARG A 5 6.238 -7.736 0.499 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.613 -8.510 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.298 -8.351 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.058 -10.653 2.718 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.722 -11.021 1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.251 -11.604 3.048 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.970 -10.532 1.864 1.00 0.00 H new ATOM 0 HE ARG A 5 9.794 -8.693 3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.768 -11.814 4.704 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.898 -11.291 6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 5 9.958 -8.028 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.569 -9.157 6.877 1.00 0.00 H new ATOM 92 N CYS A 6 8.010 -10.016 -1.121 1.00 0.00 N ATOM 93 CA CYS A 6 8.715 -10.237 -2.369 1.00 0.00 C ATOM 94 C CYS A 6 7.754 -10.667 -3.462 1.00 0.00 C ATOM 95 O CYS A 6 7.925 -10.293 -4.616 1.00 0.00 O ATOM 96 CB CYS A 6 9.815 -11.272 -2.205 1.00 0.00 C ATOM 97 SG CYS A 6 10.603 -11.269 -0.564 1.00 0.00 S ATOM 0 H CYS A 6 8.049 -10.794 -0.462 1.00 0.00 H new ATOM 0 HA CYS A 6 9.175 -9.292 -2.658 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.399 -12.261 -2.394 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.579 -11.097 -2.963 1.00 0.00 H new ATOM 102 N GLU A 7 6.732 -11.438 -3.097 1.00 0.00 N ATOM 103 CA GLU A 7 5.747 -11.880 -4.075 1.00 0.00 C ATOM 104 C GLU A 7 5.326 -10.684 -4.909 1.00 0.00 C ATOM 105 O GLU A 7 5.386 -10.708 -6.141 1.00 0.00 O ATOM 106 CB GLU A 7 4.533 -12.501 -3.381 1.00 0.00 C ATOM 107 CG GLU A 7 4.132 -13.853 -3.950 1.00 0.00 C ATOM 108 CD GLU A 7 3.812 -14.868 -2.871 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.893 -14.608 -2.066 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.479 -15.923 -2.831 1.00 0.00 O ATOM 0 H GLU A 7 6.567 -11.765 -2.145 1.00 0.00 H new ATOM 0 HA GLU A 7 6.187 -12.644 -4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.750 -12.613 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.689 -11.817 -3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.262 -13.728 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.940 -14.234 -4.574 1.00 0.00 H new ATOM 117 N LEU A 8 4.938 -9.621 -4.218 1.00 0.00 N ATOM 118 CA LEU A 8 4.546 -8.395 -4.878 1.00 0.00 C ATOM 119 C LEU A 8 5.734 -7.795 -5.614 1.00 0.00 C ATOM 120 O LEU A 8 5.584 -7.327 -6.738 1.00 0.00 O ATOM 121 CB LEU A 8 3.995 -7.377 -3.876 1.00 0.00 C ATOM 122 CG LEU A 8 4.225 -5.908 -4.256 1.00 0.00 C ATOM 123 CD1 LEU A 8 3.293 -5.488 -5.380 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.043 -5.003 -3.049 1.00 0.00 C ATOM 0 H LEU A 8 4.888 -9.588 -3.200 1.00 0.00 H new ATOM 0 HA LEU A 8 3.758 -8.636 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.924 -7.544 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.452 -7.562 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 8 5.252 -5.809 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.475 -4.443 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.476 -6.110 -6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.258 -5.609 -5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.211 -3.967 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.029 -5.111 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.758 -5.281 -2.275 1.00 0.00 H new ATOM 136 N ALA A 9 6.920 -7.814 -4.984 1.00 0.00 N ATOM 137 CA ALA A 9 8.114 -7.255 -5.613 1.00 0.00 C ATOM 138 C ALA A 9 8.377 -7.891 -6.970 1.00 0.00 C ATOM 139 O ALA A 9 8.504 -7.190 -7.972 1.00 0.00 O ATOM 140 CB ALA A 9 9.322 -7.412 -4.709 1.00 0.00 C ATOM 0 H ALA A 9 7.071 -8.205 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 9 7.935 -6.191 -5.771 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.200 -6.989 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.143 -6.890 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.492 -8.470 -4.510 1.00 0.00 H new ATOM 146 N ALA A 10 8.445 -9.219 -7.004 1.00 0.00 N ATOM 147 CA ALA A 10 8.674 -9.931 -8.249 1.00 0.00 C ATOM 148 C ALA A 10 7.699 -9.439 -9.304 1.00 0.00 C ATOM 149 O ALA A 10 8.065 -9.232 -10.461 1.00 0.00 O ATOM 150 CB ALA A 10 8.528 -11.431 -8.041 1.00 0.00 C ATOM 0 H ALA A 10 8.345 -9.818 -6.185 1.00 0.00 H new ATOM 0 HA ALA A 10 9.691 -9.736 -8.589 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.703 -11.948 -8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.255 -11.768 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.521 -11.653 -7.687 1.00 0.00 H new ATOM 156 N ALA A 11 6.453 -9.234 -8.886 1.00 0.00 N ATOM 157 CA ALA A 11 5.427 -8.743 -9.793 1.00 0.00 C ATOM 158 C ALA A 11 5.739 -7.329 -10.233 1.00 0.00 C ATOM 159 O ALA A 11 5.551 -6.962 -11.391 1.00 0.00 O ATOM 160 CB ALA A 11 4.053 -8.823 -9.147 1.00 0.00 C ATOM 0 H ALA A 11 6.134 -9.400 -7.932 1.00 0.00 H new ATOM 0 HA ALA A 11 5.418 -9.379 -10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.301 -8.451 -9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.830 -9.859 -8.893 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.041 -8.216 -8.241 1.00 0.00 H new ATOM 166 N MET A 12 6.222 -6.553 -9.290 1.00 0.00 N ATOM 167 CA MET A 12 6.586 -5.160 -9.539 1.00 0.00 C ATOM 168 C MET A 12 7.638 -5.074 -10.633 1.00 0.00 C ATOM 169 O MET A 12 7.484 -4.328 -11.600 1.00 0.00 O ATOM 170 CB MET A 12 7.129 -4.502 -8.271 1.00 0.00 C ATOM 171 CG MET A 12 6.287 -4.751 -7.034 1.00 0.00 C ATOM 172 SD MET A 12 6.500 -3.477 -5.780 1.00 0.00 S ATOM 173 CE MET A 12 6.110 -2.018 -6.735 1.00 0.00 C ATOM 0 H MET A 12 6.377 -6.859 -8.329 1.00 0.00 H new ATOM 0 HA MET A 12 5.685 -4.634 -9.855 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.140 -4.868 -8.089 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.204 -3.427 -8.436 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.236 -4.802 -7.319 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.550 -5.720 -6.610 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.476 -1.356 -6.145 1.00 0.00 H new ATOM 0 HE2 MET A 12 7.031 -1.499 -6.999 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.584 -2.308 -7.644 1.00 0.00 H new ATOM 183 N LYS A 13 8.707 -5.850 -10.472 1.00 0.00 N ATOM 184 CA LYS A 13 9.786 -5.871 -11.447 1.00 0.00 C ATOM 185 C LYS A 13 9.219 -6.144 -12.829 1.00 0.00 C ATOM 186 O LYS A 13 9.598 -5.503 -13.810 1.00 0.00 O ATOM 187 CB LYS A 13 10.820 -6.938 -11.082 1.00 0.00 C ATOM 188 CG LYS A 13 12.245 -6.413 -11.030 1.00 0.00 C ATOM 189 CD LYS A 13 13.199 -7.317 -11.793 1.00 0.00 C ATOM 190 CE LYS A 13 14.649 -6.926 -11.552 1.00 0.00 C ATOM 191 NZ LYS A 13 15.258 -6.285 -12.750 1.00 0.00 N ATOM 0 H LYS A 13 8.846 -6.471 -9.675 1.00 0.00 H new ATOM 0 HA LYS A 13 10.281 -4.900 -11.446 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.563 -7.364 -10.112 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.766 -7.748 -11.810 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.279 -5.408 -11.451 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.568 -6.335 -9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.044 -8.352 -11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.979 -7.263 -12.859 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.704 -6.241 -10.706 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.224 -7.812 -11.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.246 -6.034 -12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.229 -6.948 -13.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.725 -5.425 -12.992 1.00 0.00 H new ATOM 205 N ARG A 14 8.295 -7.094 -12.892 1.00 0.00 N ATOM 206 CA ARG A 14 7.658 -7.450 -14.146 1.00 0.00 C ATOM 207 C ARG A 14 6.838 -6.278 -14.654 1.00 0.00 C ATOM 208 O ARG A 14 6.805 -6.001 -15.853 1.00 0.00 O ATOM 209 CB ARG A 14 6.766 -8.679 -13.965 1.00 0.00 C ATOM 210 CG ARG A 14 7.037 -9.782 -14.975 1.00 0.00 C ATOM 211 CD ARG A 14 7.184 -11.134 -14.296 1.00 0.00 C ATOM 212 NE ARG A 14 8.042 -12.038 -15.057 1.00 0.00 N ATOM 213 CZ ARG A 14 8.236 -13.314 -14.739 1.00 0.00 C ATOM 214 NH1 ARG A 14 7.634 -13.836 -13.678 1.00 0.00 N ATOM 215 NH2 ARG A 14 9.031 -14.071 -15.483 1.00 0.00 N ATOM 0 H ARG A 14 7.972 -7.630 -12.087 1.00 0.00 H new ATOM 0 HA ARG A 14 8.430 -7.691 -14.877 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.908 -9.076 -12.960 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.722 -8.375 -14.043 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.222 -9.823 -15.698 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.946 -9.552 -15.532 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.599 -10.995 -13.298 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.200 -11.586 -14.172 1.00 0.00 H new ATOM 0 HE ARG A 14 8.520 -11.669 -15.879 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.020 -13.258 -13.104 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.785 -14.815 -13.437 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.495 -13.674 -16.300 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.179 -15.050 -15.238 1.00 0.00 H new ATOM 229 N HIS A 15 6.148 -5.606 -13.734 1.00 0.00 N ATOM 230 CA HIS A 15 5.296 -4.482 -14.083 1.00 0.00 C ATOM 231 C HIS A 15 6.103 -3.221 -14.363 1.00 0.00 C ATOM 232 O HIS A 15 5.547 -2.222 -14.817 1.00 0.00 O ATOM 233 CB HIS A 15 4.315 -4.212 -12.944 1.00 0.00 C ATOM 234 CG HIS A 15 3.206 -5.214 -12.845 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.237 -5.163 -11.866 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.914 -6.297 -13.605 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.398 -6.169 -12.026 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.786 -6.873 -13.074 1.00 0.00 N ATOM 0 H HIS A 15 6.166 -5.826 -12.738 1.00 0.00 H new ATOM 0 HA HIS A 15 4.758 -4.744 -14.994 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.863 -4.198 -12.002 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.884 -3.220 -13.077 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.465 -6.643 -14.467 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.540 -6.381 -11.405 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.323 -7.709 -13.431 1.00 0.00 H new ATOM 247 N GLY A 16 7.416 -3.267 -14.145 1.00 0.00 N ATOM 248 CA GLY A 16 8.246 -2.117 -14.442 1.00 0.00 C ATOM 249 C GLY A 16 8.260 -1.036 -13.377 1.00 0.00 C ATOM 250 O GLY A 16 8.558 0.116 -13.694 1.00 0.00 O ATOM 0 H GLY A 16 7.914 -4.075 -13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.268 -2.459 -14.603 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.906 -1.676 -15.379 1.00 0.00 H new ATOM 254 N LEU A 17 7.950 -1.359 -12.120 1.00 0.00 N ATOM 255 CA LEU A 17 7.964 -0.326 -11.091 1.00 0.00 C ATOM 256 C LEU A 17 9.384 -0.045 -10.639 1.00 0.00 C ATOM 257 O LEU A 17 9.654 0.937 -9.953 1.00 0.00 O ATOM 258 CB LEU A 17 7.084 -0.701 -9.892 1.00 0.00 C ATOM 259 CG LEU A 17 5.737 -1.370 -10.211 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.656 -0.860 -9.271 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.308 -1.134 -11.656 1.00 0.00 C ATOM 0 H LEU A 17 7.695 -2.293 -11.800 1.00 0.00 H new ATOM 0 HA LEU A 17 7.548 0.580 -11.532 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.653 -1.371 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.888 0.204 -9.317 1.00 0.00 H new ATOM 0 HG LEU A 17 5.871 -2.442 -10.070 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.709 -1.343 -9.510 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.931 -1.090 -8.242 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.552 0.219 -9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.351 -1.625 -11.836 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.206 -0.064 -11.835 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.059 -1.545 -12.330 1.00 0.00 H new ATOM 273 N ASP A 18 10.289 -0.902 -11.056 1.00 0.00 N ATOM 274 CA ASP A 18 11.700 -0.747 -10.722 1.00 0.00 C ATOM 275 C ASP A 18 12.311 0.350 -11.584 1.00 0.00 C ATOM 276 O ASP A 18 12.768 0.092 -12.698 1.00 0.00 O ATOM 277 CB ASP A 18 12.451 -2.066 -10.919 1.00 0.00 C ATOM 278 CG ASP A 18 13.955 -1.877 -10.977 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.547 -1.517 -9.938 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.538 -2.089 -12.060 1.00 0.00 O ATOM 0 H ASP A 18 10.079 -1.719 -11.630 1.00 0.00 H new ATOM 0 HA ASP A 18 11.786 -0.465 -9.673 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.205 -2.745 -10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.112 -2.539 -11.841 1.00 0.00 H new ATOM 285 N ASN A 19 12.263 1.580 -11.068 1.00 0.00 N ATOM 286 CA ASN A 19 12.762 2.762 -11.775 1.00 0.00 C ATOM 287 C ASN A 19 11.665 3.310 -12.683 1.00 0.00 C ATOM 288 O ASN A 19 11.917 3.711 -13.820 1.00 0.00 O ATOM 289 CB ASN A 19 14.023 2.447 -12.589 1.00 0.00 C ATOM 290 CG ASN A 19 15.111 3.485 -12.394 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.213 3.169 -11.945 1.00 0.00 O ATOM 292 ND2 ASN A 19 14.806 4.733 -12.731 1.00 0.00 N ATOM 0 H ASN A 19 11.876 1.785 -10.147 1.00 0.00 H new ATOM 0 HA ASN A 19 13.035 3.514 -11.035 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.403 1.467 -12.300 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.765 2.390 -13.646 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.498 5.474 -12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.880 4.950 -13.099 1.00 0.00 H new ATOM 299 N TYR A 20 10.438 3.305 -12.162 1.00 0.00 N ATOM 300 CA TYR A 20 9.276 3.782 -12.909 1.00 0.00 C ATOM 301 C TYR A 20 9.015 5.250 -12.618 1.00 0.00 C ATOM 302 O TYR A 20 8.921 5.653 -11.460 1.00 0.00 O ATOM 303 CB TYR A 20 8.038 2.955 -12.572 1.00 0.00 C ATOM 304 CG TYR A 20 6.905 3.146 -13.556 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.857 2.416 -14.737 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.889 4.059 -13.307 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.827 2.589 -15.641 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.856 4.239 -14.206 1.00 0.00 C ATOM 309 CZ TYR A 20 4.829 3.502 -15.372 1.00 0.00 C ATOM 310 OH TYR A 20 3.803 3.680 -16.270 1.00 0.00 O ATOM 0 H TYR A 20 10.223 2.974 -11.221 1.00 0.00 H new ATOM 0 HA TYR A 20 9.492 3.669 -13.971 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.311 1.900 -12.543 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.692 3.222 -11.574 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.638 1.701 -14.952 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.907 4.638 -12.395 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.803 2.012 -16.554 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.073 4.953 -13.997 1.00 0.00 H new ATOM 0 HH TYR A 20 4.048 3.279 -17.130 1.00 0.00 H new ATOM 320 N ARG A 21 8.931 6.050 -13.676 1.00 0.00 N ATOM 321 CA ARG A 21 8.722 7.482 -13.522 1.00 0.00 C ATOM 322 C ARG A 21 9.881 8.051 -12.723 1.00 0.00 C ATOM 323 O ARG A 21 9.800 9.133 -12.141 1.00 0.00 O ATOM 324 CB ARG A 21 7.392 7.772 -12.823 1.00 0.00 C ATOM 325 CG ARG A 21 6.399 8.516 -13.698 1.00 0.00 C ATOM 326 CD ARG A 21 6.849 9.944 -13.961 1.00 0.00 C ATOM 327 NE ARG A 21 6.612 10.347 -15.345 1.00 0.00 N ATOM 328 CZ ARG A 21 6.087 11.518 -15.693 1.00 0.00 C ATOM 329 NH1 ARG A 21 5.747 12.400 -14.762 1.00 0.00 N ATOM 330 NH2 ARG A 21 5.903 11.810 -16.974 1.00 0.00 N ATOM 0 H ARG A 21 9.004 5.732 -14.642 1.00 0.00 H new ATOM 0 HA ARG A 21 8.680 7.952 -14.505 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.947 6.831 -12.501 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.583 8.358 -11.924 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.282 7.990 -14.645 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.422 8.524 -13.215 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.319 10.620 -13.291 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.911 10.037 -13.733 1.00 0.00 H new ATOM 0 HE ARG A 21 6.863 9.693 -16.086 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.888 12.181 -13.776 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.345 13.297 -15.032 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.164 11.136 -17.693 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.500 12.709 -17.239 1.00 0.00 H new ATOM 344 N GLY A 22 10.968 7.287 -12.723 1.00 0.00 N ATOM 345 CA GLY A 22 12.167 7.679 -12.022 1.00 0.00 C ATOM 346 C GLY A 22 12.251 7.130 -10.610 1.00 0.00 C ATOM 347 O GLY A 22 13.160 7.501 -9.866 1.00 0.00 O ATOM 0 H GLY A 22 11.035 6.391 -13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.035 7.340 -12.587 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.216 8.767 -11.984 1.00 0.00 H new ATOM 351 N TYR A 23 11.323 6.250 -10.213 1.00 0.00 N ATOM 352 CA TYR A 23 11.373 5.706 -8.866 1.00 0.00 C ATOM 353 C TYR A 23 11.681 4.216 -8.859 1.00 0.00 C ATOM 354 O TYR A 23 11.051 3.433 -9.561 1.00 0.00 O ATOM 355 CB TYR A 23 10.079 6.005 -8.115 1.00 0.00 C ATOM 356 CG TYR A 23 10.132 7.321 -7.374 1.00 0.00 C ATOM 357 CD1 TYR A 23 11.013 7.507 -6.315 1.00 0.00 C ATOM 358 CD2 TYR A 23 9.312 8.382 -7.737 1.00 0.00 C ATOM 359 CE1 TYR A 23 11.075 8.709 -5.638 1.00 0.00 C ATOM 360 CE2 TYR A 23 9.367 9.588 -7.064 1.00 0.00 C ATOM 361 CZ TYR A 23 10.249 9.747 -6.017 1.00 0.00 C ATOM 362 OH TYR A 23 10.307 10.947 -5.346 1.00 0.00 O ATOM 0 H TYR A 23 10.553 5.912 -10.791 1.00 0.00 H new ATOM 0 HA TYR A 23 12.194 6.200 -8.347 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.249 6.022 -8.821 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.879 5.201 -7.407 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.661 6.696 -6.016 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.621 8.263 -8.558 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.766 8.836 -4.817 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.721 10.403 -7.357 1.00 0.00 H new ATOM 0 HH TYR A 23 9.662 11.572 -5.738 1.00 0.00 H new ATOM 372 N SER A 24 12.676 3.844 -8.056 1.00 0.00 N ATOM 373 CA SER A 24 13.101 2.459 -7.943 1.00 0.00 C ATOM 374 C SER A 24 12.116 1.644 -7.118 1.00 0.00 C ATOM 375 O SER A 24 11.308 2.191 -6.368 1.00 0.00 O ATOM 376 CB SER A 24 14.493 2.383 -7.314 1.00 0.00 C ATOM 377 OG SER A 24 14.460 2.773 -5.952 1.00 0.00 O ATOM 0 H SER A 24 13.204 4.492 -7.471 1.00 0.00 H new ATOM 0 HA SER A 24 13.135 2.037 -8.947 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.877 1.366 -7.395 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.179 3.027 -7.863 1.00 0.00 H new ATOM 0 HG SER A 24 13.756 3.441 -5.820 1.00 0.00 H new ATOM 383 N LEU A 25 12.200 0.331 -7.277 1.00 0.00 N ATOM 384 CA LEU A 25 11.336 -0.612 -6.575 1.00 0.00 C ATOM 385 C LEU A 25 11.121 -0.233 -5.109 1.00 0.00 C ATOM 386 O LEU A 25 9.985 -0.114 -4.655 1.00 0.00 O ATOM 387 CB LEU A 25 11.942 -2.011 -6.665 1.00 0.00 C ATOM 388 CG LEU A 25 11.280 -2.933 -7.683 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.224 -4.059 -8.073 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.983 -3.490 -7.124 1.00 0.00 C ATOM 0 H LEU A 25 12.873 -0.115 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 25 10.359 -0.587 -7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.999 -1.918 -6.914 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.886 -2.479 -5.682 1.00 0.00 H new ATOM 0 HG LEU A 25 11.049 -2.355 -8.578 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.736 -4.708 -8.800 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.129 -3.639 -8.511 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.485 -4.638 -7.187 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.521 -4.147 -7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.191 -4.055 -6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.304 -2.669 -6.893 1.00 0.00 H new ATOM 402 N GLY A 26 12.218 -0.077 -4.371 1.00 0.00 N ATOM 403 CA GLY A 26 12.135 0.256 -2.956 1.00 0.00 C ATOM 404 C GLY A 26 11.110 1.329 -2.630 1.00 0.00 C ATOM 405 O GLY A 26 10.413 1.238 -1.618 1.00 0.00 O ATOM 0 H GLY A 26 13.168 -0.176 -4.729 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.891 -0.646 -2.395 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.115 0.589 -2.614 1.00 0.00 H new ATOM 409 N ASN A 27 11.021 2.350 -3.474 1.00 0.00 N ATOM 410 CA ASN A 27 10.080 3.445 -3.251 1.00 0.00 C ATOM 411 C ASN A 27 8.632 2.973 -3.373 1.00 0.00 C ATOM 412 O ASN A 27 7.742 3.483 -2.693 1.00 0.00 O ATOM 413 CB ASN A 27 10.343 4.577 -4.245 1.00 0.00 C ATOM 414 CG ASN A 27 11.814 4.927 -4.345 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.443 4.731 -5.385 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.373 5.449 -3.259 1.00 0.00 N ATOM 0 H ASN A 27 11.587 2.444 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 27 10.231 3.811 -2.236 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.974 4.287 -5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.782 5.461 -3.942 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.361 5.704 -3.266 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.815 5.595 -2.418 1.00 0.00 H new ATOM 423 N TRP A 28 8.408 2.002 -4.248 1.00 0.00 N ATOM 424 CA TRP A 28 7.075 1.457 -4.477 1.00 0.00 C ATOM 425 C TRP A 28 6.653 0.506 -3.369 1.00 0.00 C ATOM 426 O TRP A 28 5.476 0.454 -3.009 1.00 0.00 O ATOM 427 CB TRP A 28 7.033 0.761 -5.826 1.00 0.00 C ATOM 428 CG TRP A 28 7.441 1.676 -6.925 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.681 1.796 -7.461 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.613 2.624 -7.598 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.684 2.769 -8.425 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.425 3.293 -8.532 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.265 2.969 -7.499 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.939 4.295 -9.366 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.768 3.957 -8.323 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.604 4.615 -9.249 1.00 0.00 C ATOM 0 H TRP A 28 9.138 1.572 -4.816 1.00 0.00 H new ATOM 0 HA TRP A 28 6.366 2.285 -4.474 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.693 -0.106 -5.810 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.025 0.391 -6.014 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.540 1.210 -7.170 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.494 3.056 -8.974 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.621 2.471 -6.789 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.580 4.800 -10.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.725 4.230 -8.258 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.189 5.387 -9.880 1.00 0.00 H new ATOM 447 N VAL A 29 7.602 -0.243 -2.820 1.00 0.00 N ATOM 448 CA VAL A 29 7.293 -1.178 -1.752 1.00 0.00 C ATOM 449 C VAL A 29 6.979 -0.440 -0.461 1.00 0.00 C ATOM 450 O VAL A 29 5.972 -0.712 0.187 1.00 0.00 O ATOM 451 CB VAL A 29 8.460 -2.156 -1.509 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.158 -3.079 -0.337 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.752 -2.957 -2.769 1.00 0.00 C ATOM 0 H VAL A 29 8.584 -0.220 -3.096 1.00 0.00 H new ATOM 0 HA VAL A 29 6.417 -1.746 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 29 9.348 -1.576 -1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.996 -3.760 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.005 -2.485 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.257 -3.654 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.578 -3.643 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.866 -3.525 -3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.021 -2.278 -3.578 1.00 0.00 H new ATOM 463 N CYS A 30 7.848 0.491 -0.091 1.00 0.00 N ATOM 464 CA CYS A 30 7.658 1.263 1.127 1.00 0.00 C ATOM 465 C CYS A 30 6.350 2.049 1.078 1.00 0.00 C ATOM 466 O CYS A 30 5.584 2.052 2.043 1.00 0.00 O ATOM 467 CB CYS A 30 8.832 2.216 1.341 1.00 0.00 C ATOM 468 SG CYS A 30 8.950 2.872 3.036 1.00 0.00 S ATOM 0 H CYS A 30 8.689 0.729 -0.616 1.00 0.00 H new ATOM 0 HA CYS A 30 7.609 0.566 1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.759 1.696 1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.742 3.050 0.645 1.00 0.00 H new ATOM 473 N ALA A 31 6.098 2.718 -0.047 1.00 0.00 N ATOM 474 CA ALA A 31 4.883 3.506 -0.204 1.00 0.00 C ATOM 475 C ALA A 31 3.642 2.632 -0.096 1.00 0.00 C ATOM 476 O ALA A 31 2.686 2.982 0.591 1.00 0.00 O ATOM 477 CB ALA A 31 4.900 4.235 -1.540 1.00 0.00 C ATOM 0 H ALA A 31 6.717 2.728 -0.857 1.00 0.00 H new ATOM 0 HA ALA A 31 4.849 4.239 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.987 4.821 -1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.764 4.899 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.961 3.508 -2.350 1.00 0.00 H new ATOM 483 N ALA A 32 3.665 1.495 -0.782 1.00 0.00 N ATOM 484 CA ALA A 32 2.540 0.571 -0.769 1.00 0.00 C ATOM 485 C ALA A 32 2.349 -0.062 0.606 1.00 0.00 C ATOM 486 O ALA A 32 1.224 -0.198 1.082 1.00 0.00 O ATOM 487 CB ALA A 32 2.732 -0.506 -1.826 1.00 0.00 C ATOM 0 H ALA A 32 4.453 1.192 -1.355 1.00 0.00 H new ATOM 0 HA ALA A 32 1.639 1.140 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.884 -1.191 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.801 -0.042 -2.810 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.649 -1.058 -1.620 1.00 0.00 H new ATOM 493 N LYS A 33 3.452 -0.463 1.233 1.00 0.00 N ATOM 494 CA LYS A 33 3.407 -1.098 2.548 1.00 0.00 C ATOM 495 C LYS A 33 2.590 -0.284 3.540 1.00 0.00 C ATOM 496 O LYS A 33 1.650 -0.790 4.143 1.00 0.00 O ATOM 497 CB LYS A 33 4.825 -1.292 3.088 1.00 0.00 C ATOM 498 CG LYS A 33 4.918 -2.332 4.192 1.00 0.00 C ATOM 499 CD LYS A 33 6.276 -2.301 4.874 1.00 0.00 C ATOM 500 CE LYS A 33 6.164 -2.640 6.352 1.00 0.00 C ATOM 501 NZ LYS A 33 7.000 -3.817 6.716 1.00 0.00 N ATOM 0 H LYS A 33 4.392 -0.359 0.850 1.00 0.00 H new ATOM 0 HA LYS A 33 2.923 -2.067 2.427 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.480 -1.585 2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.195 -0.339 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.135 -2.152 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.742 -3.324 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.946 -3.010 4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.720 -1.312 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.471 -1.779 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.122 -2.844 6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.734 -4.152 7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.847 -4.579 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.004 -3.544 6.714 1.00 0.00 H new ATOM 515 N PHE A 34 2.966 0.968 3.734 1.00 0.00 N ATOM 516 CA PHE A 34 2.260 1.813 4.683 1.00 0.00 C ATOM 517 C PHE A 34 0.919 2.281 4.146 1.00 0.00 C ATOM 518 O PHE A 34 -0.011 2.528 4.914 1.00 0.00 O ATOM 519 CB PHE A 34 3.117 2.995 5.087 1.00 0.00 C ATOM 520 CG PHE A 34 3.958 2.736 6.306 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.430 2.898 7.576 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.276 2.325 6.179 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.200 2.656 8.697 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.051 2.084 7.297 1.00 0.00 C ATOM 525 CZ PHE A 34 5.512 2.249 8.558 1.00 0.00 C ATOM 0 H PHE A 34 3.746 1.418 3.255 1.00 0.00 H new ATOM 0 HA PHE A 34 2.059 1.207 5.567 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.769 3.262 4.255 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.473 3.854 5.275 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.405 3.217 7.691 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.701 2.192 5.195 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.776 2.785 9.682 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.077 1.767 7.185 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.116 2.060 9.433 1.00 0.00 H new ATOM 535 N GLU A 35 0.817 2.408 2.833 1.00 0.00 N ATOM 536 CA GLU A 35 -0.416 2.853 2.206 1.00 0.00 C ATOM 537 C GLU A 35 -1.562 1.880 2.458 1.00 0.00 C ATOM 538 O GLU A 35 -2.636 2.273 2.917 1.00 0.00 O ATOM 539 CB GLU A 35 -0.201 2.994 0.700 1.00 0.00 C ATOM 540 CG GLU A 35 -0.023 4.429 0.236 1.00 0.00 C ATOM 541 CD GLU A 35 0.651 4.519 -1.119 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.012 4.215 -2.133 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.842 4.891 -1.166 1.00 0.00 O ATOM 0 H GLU A 35 1.575 2.209 2.180 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.684 3.814 2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.679 2.418 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.053 2.557 0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.997 4.916 0.187 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.569 4.975 0.970 1.00 0.00 H new ATOM 550 N SER A 36 -1.346 0.621 2.099 1.00 0.00 N ATOM 551 CA SER A 36 -2.387 -0.396 2.226 1.00 0.00 C ATOM 552 C SER A 36 -1.880 -1.693 2.847 1.00 0.00 C ATOM 553 O SER A 36 -2.633 -2.660 2.958 1.00 0.00 O ATOM 554 CB SER A 36 -2.959 -0.699 0.839 1.00 0.00 C ATOM 555 OG SER A 36 -1.940 -1.137 -0.040 1.00 0.00 O ATOM 0 H SER A 36 -0.464 0.279 1.719 1.00 0.00 H new ATOM 0 HA SER A 36 -3.151 0.005 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.731 -1.464 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.436 0.194 0.434 1.00 0.00 H new ATOM 0 HG SER A 36 -1.621 -0.380 -0.574 1.00 0.00 H new ATOM 561 N ASN A 37 -0.611 -1.729 3.229 1.00 0.00 N ATOM 562 CA ASN A 37 -0.035 -2.939 3.810 1.00 0.00 C ATOM 563 C ASN A 37 -0.119 -4.077 2.803 1.00 0.00 C ATOM 564 O ASN A 37 -0.178 -5.242 3.172 1.00 0.00 O ATOM 565 CB ASN A 37 -0.763 -3.318 5.103 1.00 0.00 C ATOM 566 CG ASN A 37 -0.415 -2.396 6.255 1.00 0.00 C ATOM 567 OD1 ASN A 37 0.221 -2.808 7.226 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.831 -1.139 6.153 1.00 0.00 N ATOM 0 H ASN A 37 0.036 -0.944 3.149 1.00 0.00 H new ATOM 0 HA ASN A 37 1.011 -2.750 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.839 -3.291 4.932 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.509 -4.343 5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.626 -0.472 6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.355 -0.840 5.331 1.00 0.00 H new ATOM 575 N PHE A 38 -0.114 -3.698 1.527 1.00 0.00 N ATOM 576 CA PHE A 38 -0.183 -4.621 0.402 1.00 0.00 C ATOM 577 C PHE A 38 -1.531 -5.317 0.336 1.00 0.00 C ATOM 578 O PHE A 38 -1.663 -6.368 -0.283 1.00 0.00 O ATOM 579 CB PHE A 38 0.968 -5.631 0.451 1.00 0.00 C ATOM 580 CG PHE A 38 2.313 -4.977 0.587 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.646 -3.886 -0.202 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.241 -5.443 1.504 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.878 -3.275 -0.082 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.476 -4.834 1.628 1.00 0.00 C ATOM 585 CZ PHE A 38 4.794 -3.749 0.835 1.00 0.00 C ATOM 0 H PHE A 38 -0.061 -2.720 1.243 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.076 -4.039 -0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.813 -6.310 1.289 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.953 -6.235 -0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.932 -3.510 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.997 -6.290 2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.125 -2.428 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.192 -5.207 2.345 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.758 -3.272 0.932 1.00 0.00 H new ATOM 595 N ASN A 39 -2.545 -4.710 0.940 1.00 0.00 N ATOM 596 CA ASN A 39 -3.885 -5.278 0.909 1.00 0.00 C ATOM 597 C ASN A 39 -4.536 -4.953 -0.424 1.00 0.00 C ATOM 598 O ASN A 39 -4.757 -3.790 -0.759 1.00 0.00 O ATOM 599 CB ASN A 39 -4.731 -4.749 2.066 1.00 0.00 C ATOM 600 CG ASN A 39 -5.780 -5.745 2.518 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.434 -6.391 1.699 1.00 0.00 O ATOM 602 ND2 ASN A 39 -5.948 -5.873 3.830 1.00 0.00 N ATOM 0 H ASN A 39 -2.466 -3.832 1.453 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.815 -6.360 1.022 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.081 -4.504 2.906 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.220 -3.824 1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.641 -6.527 4.194 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.384 -5.317 4.473 1.00 0.00 H new ATOM 609 N THR A 40 -4.796 -5.993 -1.198 1.00 0.00 N ATOM 610 CA THR A 40 -5.371 -5.843 -2.522 1.00 0.00 C ATOM 611 C THR A 40 -6.759 -5.248 -2.429 1.00 0.00 C ATOM 612 O THR A 40 -7.318 -4.770 -3.416 1.00 0.00 O ATOM 613 CB THR A 40 -5.450 -7.200 -3.245 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.724 -7.811 -3.008 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.355 -8.139 -2.766 1.00 0.00 C ATOM 0 H THR A 40 -4.615 -6.960 -0.927 1.00 0.00 H new ATOM 0 HA THR A 40 -4.725 -5.175 -3.091 1.00 0.00 H new ATOM 0 HB THR A 40 -5.318 -7.017 -4.311 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.278 -7.735 -3.813 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.435 -9.090 -3.293 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.380 -7.694 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.464 -8.308 -1.695 1.00 0.00 H new ATOM 623 N GLN A 41 -7.315 -5.316 -1.234 1.00 0.00 N ATOM 624 CA GLN A 41 -8.652 -4.828 -0.979 1.00 0.00 C ATOM 625 C GLN A 41 -8.672 -3.645 -0.008 1.00 0.00 C ATOM 626 O GLN A 41 -9.742 -3.184 0.391 1.00 0.00 O ATOM 627 CB GLN A 41 -9.470 -5.982 -0.417 1.00 0.00 C ATOM 628 CG GLN A 41 -10.231 -6.769 -1.470 1.00 0.00 C ATOM 629 CD GLN A 41 -11.481 -7.425 -0.917 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.434 -8.542 -0.402 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.609 -6.732 -1.023 1.00 0.00 N ATOM 0 H GLN A 41 -6.851 -5.711 -0.416 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.075 -4.463 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.804 -6.659 0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.179 -5.590 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.506 -6.103 -2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.578 -7.535 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.602 -5.809 -1.457 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.483 -7.123 -0.670 1.00 0.00 H new ATOM 640 N ALA A 42 -7.495 -3.171 0.391 1.00 0.00 N ATOM 641 CA ALA A 42 -7.398 -2.060 1.338 1.00 0.00 C ATOM 642 C ALA A 42 -8.036 -0.776 0.818 1.00 0.00 C ATOM 643 O ALA A 42 -7.677 -0.268 -0.248 1.00 0.00 O ATOM 644 CB ALA A 42 -5.948 -1.791 1.696 1.00 0.00 C ATOM 0 H ALA A 42 -6.596 -3.536 0.075 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.953 -2.366 2.225 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.895 -0.962 2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.514 -2.682 2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.392 -1.536 0.794 1.00 0.00 H new ATOM 650 N THR A 43 -8.962 -0.246 1.610 1.00 0.00 N ATOM 651 CA THR A 43 -9.651 0.997 1.290 1.00 0.00 C ATOM 652 C THR A 43 -9.411 2.007 2.410 1.00 0.00 C ATOM 653 O THR A 43 -9.570 1.677 3.586 1.00 0.00 O ATOM 654 CB THR A 43 -11.167 0.778 1.126 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.822 0.909 2.394 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.458 -0.597 0.542 1.00 0.00 C ATOM 0 H THR A 43 -9.255 -0.667 2.492 1.00 0.00 H new ATOM 0 HA THR A 43 -9.256 1.370 0.345 1.00 0.00 H new ATOM 0 HB THR A 43 -11.547 1.535 0.440 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.156 0.868 3.112 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.535 -0.727 0.436 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.984 -0.685 -0.436 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.063 -1.366 1.207 1.00 0.00 H new ATOM 664 N ASN A 44 -9.017 3.228 2.060 1.00 0.00 N ATOM 665 CA ASN A 44 -8.750 4.250 3.068 1.00 0.00 C ATOM 666 C ASN A 44 -9.534 5.528 2.791 1.00 0.00 C ATOM 667 O ASN A 44 -9.245 6.252 1.839 1.00 0.00 O ATOM 668 CB ASN A 44 -7.254 4.562 3.121 1.00 0.00 C ATOM 669 CG ASN A 44 -6.592 4.012 4.369 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.192 2.849 4.413 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.473 4.849 5.393 1.00 0.00 N ATOM 0 H ASN A 44 -8.877 3.532 1.097 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.074 3.856 4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.767 4.143 2.240 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.109 5.642 3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.036 4.536 6.260 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.819 5.805 5.313 1.00 0.00 H new ATOM 678 N ARG A 45 -10.523 5.802 3.637 1.00 0.00 N ATOM 679 CA ARG A 45 -11.349 6.996 3.490 1.00 0.00 C ATOM 680 C ARG A 45 -10.683 8.199 4.149 1.00 0.00 C ATOM 681 O ARG A 45 -10.395 8.184 5.346 1.00 0.00 O ATOM 682 CB ARG A 45 -12.732 6.764 4.104 1.00 0.00 C ATOM 683 CG ARG A 45 -13.410 5.496 3.615 1.00 0.00 C ATOM 684 CD ARG A 45 -13.408 4.415 4.684 1.00 0.00 C ATOM 685 NE ARG A 45 -14.755 3.942 4.987 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.367 4.148 6.150 1.00 0.00 C ATOM 687 NH1 ARG A 45 -14.753 4.817 7.116 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.594 3.686 6.346 1.00 0.00 N ATOM 0 H ARG A 45 -10.772 5.213 4.432 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.462 7.202 2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.636 6.719 5.189 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.370 7.618 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.436 5.720 3.324 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.899 5.129 2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -12.796 3.577 4.351 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -12.948 4.804 5.592 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.256 3.424 4.265 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.809 5.175 6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -15.224 4.974 8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -17.070 3.172 5.605 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.062 3.845 7.238 1.00 0.00 H new ATOM 702 N ASN A 46 -10.442 9.241 3.359 1.00 0.00 N ATOM 703 CA ASN A 46 -9.808 10.454 3.865 1.00 0.00 C ATOM 704 C ASN A 46 -10.848 11.527 4.166 1.00 0.00 C ATOM 705 O ASN A 46 -12.036 11.348 3.898 1.00 0.00 O ATOM 706 CB ASN A 46 -8.791 10.985 2.853 1.00 0.00 C ATOM 707 CG ASN A 46 -8.067 9.873 2.122 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.183 9.220 2.677 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.439 9.650 0.866 1.00 0.00 N ATOM 0 H ASN A 46 -10.676 9.270 2.367 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.292 10.203 4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.301 11.620 2.129 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.063 11.611 3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.987 8.914 0.323 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.176 10.215 0.445 1.00 0.00 H new ATOM 716 N THR A 47 -10.390 12.640 4.726 1.00 0.00 N ATOM 717 CA THR A 47 -11.276 13.747 5.069 1.00 0.00 C ATOM 718 C THR A 47 -11.570 14.615 3.850 1.00 0.00 C ATOM 719 O THR A 47 -12.474 15.449 3.874 1.00 0.00 O ATOM 720 CB THR A 47 -10.672 14.628 6.178 1.00 0.00 C ATOM 721 OG1 THR A 47 -9.416 15.168 5.747 1.00 0.00 O ATOM 722 CG2 THR A 47 -10.471 13.827 7.456 1.00 0.00 C ATOM 0 H THR A 47 -9.409 12.801 4.953 1.00 0.00 H new ATOM 0 HA THR A 47 -12.205 13.307 5.431 1.00 0.00 H new ATOM 0 HB THR A 47 -11.367 15.442 6.382 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.040 15.728 6.458 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.043 14.470 8.225 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.431 13.441 7.798 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.794 12.995 7.261 1.00 0.00 H new ATOM 730 N ASP A 48 -10.800 14.412 2.786 1.00 0.00 N ATOM 731 CA ASP A 48 -10.979 15.178 1.557 1.00 0.00 C ATOM 732 C ASP A 48 -12.190 14.679 0.775 1.00 0.00 C ATOM 733 O ASP A 48 -12.559 15.253 -0.250 1.00 0.00 O ATOM 734 CB ASP A 48 -9.723 15.090 0.688 1.00 0.00 C ATOM 735 CG ASP A 48 -9.245 13.662 0.500 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.072 12.736 0.636 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.043 13.472 0.219 1.00 0.00 O ATOM 0 H ASP A 48 -10.047 13.725 2.749 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.150 16.219 1.830 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.928 15.532 -0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.927 15.679 1.144 1.00 0.00 H new ATOM 742 N GLY A 49 -12.803 13.607 1.267 1.00 0.00 N ATOM 743 CA GLY A 49 -13.967 13.049 0.605 1.00 0.00 C ATOM 744 C GLY A 49 -13.633 11.833 -0.238 1.00 0.00 C ATOM 745 O GLY A 49 -14.438 10.910 -0.353 1.00 0.00 O ATOM 0 H GLY A 49 -12.514 13.115 2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.709 12.774 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.421 13.812 -0.028 1.00 0.00 H new ATOM 749 N SER A 50 -12.442 11.833 -0.829 1.00 0.00 N ATOM 750 CA SER A 50 -12.007 10.721 -1.666 1.00 0.00 C ATOM 751 C SER A 50 -11.611 9.519 -0.815 1.00 0.00 C ATOM 752 O SER A 50 -11.739 9.540 0.410 1.00 0.00 O ATOM 753 CB SER A 50 -10.835 11.141 -2.556 1.00 0.00 C ATOM 754 OG SER A 50 -10.059 12.152 -1.937 1.00 0.00 O ATOM 0 H SER A 50 -11.763 12.589 -0.744 1.00 0.00 H new ATOM 0 HA SER A 50 -12.845 10.434 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.207 10.275 -2.768 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.212 11.503 -3.512 1.00 0.00 H new ATOM 0 HG SER A 50 -9.953 11.946 -0.985 1.00 0.00 H new ATOM 760 N THR A 51 -11.137 8.469 -1.477 1.00 0.00 N ATOM 761 CA THR A 51 -10.730 7.250 -0.787 1.00 0.00 C ATOM 762 C THR A 51 -9.513 6.614 -1.454 1.00 0.00 C ATOM 763 O THR A 51 -9.063 7.063 -2.507 1.00 0.00 O ATOM 764 CB THR A 51 -11.878 6.225 -0.757 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.139 6.903 -0.747 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.776 5.324 0.464 1.00 0.00 C ATOM 0 H THR A 51 -11.025 8.437 -2.490 1.00 0.00 H new ATOM 0 HA THR A 51 -10.469 7.533 0.233 1.00 0.00 H new ATOM 0 HB THR A 51 -11.801 5.606 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.862 6.251 -0.857 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.600 4.610 0.459 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.829 4.785 0.441 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.827 5.930 1.369 1.00 0.00 H new ATOM 774 N ASP A 52 -8.987 5.566 -0.827 1.00 0.00 N ATOM 775 CA ASP A 52 -7.822 4.858 -1.349 1.00 0.00 C ATOM 776 C ASP A 52 -8.133 3.385 -1.540 1.00 0.00 C ATOM 777 O ASP A 52 -7.878 2.565 -0.658 1.00 0.00 O ATOM 778 CB ASP A 52 -6.634 5.027 -0.402 1.00 0.00 C ATOM 779 CG ASP A 52 -6.286 6.483 -0.165 1.00 0.00 C ATOM 780 OD1 ASP A 52 -5.923 7.173 -1.141 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.375 6.933 0.996 1.00 0.00 O ATOM 0 H ASP A 52 -9.351 5.187 0.047 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.565 5.285 -2.318 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.863 4.551 0.552 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.767 4.512 -0.816 1.00 0.00 H new ATOM 786 N TYR A 53 -8.683 3.055 -2.701 1.00 0.00 N ATOM 787 CA TYR A 53 -9.025 1.678 -3.006 1.00 0.00 C ATOM 788 C TYR A 53 -7.942 1.021 -3.849 1.00 0.00 C ATOM 789 O TYR A 53 -8.056 0.955 -5.070 1.00 0.00 O ATOM 790 CB TYR A 53 -10.356 1.597 -3.759 1.00 0.00 C ATOM 791 CG TYR A 53 -11.518 2.271 -3.066 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.090 1.719 -1.929 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.057 3.451 -3.563 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.162 2.325 -1.302 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.131 4.062 -2.945 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.678 3.496 -1.814 1.00 0.00 C ATOM 797 OH TYR A 53 -14.748 4.101 -1.195 1.00 0.00 O ATOM 0 H TYR A 53 -8.900 3.721 -3.442 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.114 1.150 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.228 2.046 -4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.605 0.548 -3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.691 0.800 -1.527 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.629 3.898 -4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.593 1.883 -0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.539 4.978 -3.346 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.724 3.906 -0.235 1.00 0.00 H new ATOM 807 N GLY A 54 -6.875 0.556 -3.218 1.00 0.00 N ATOM 808 CA GLY A 54 -5.812 -0.078 -3.977 1.00 0.00 C ATOM 809 C GLY A 54 -4.553 -0.271 -3.161 1.00 0.00 C ATOM 810 O GLY A 54 -4.391 0.350 -2.110 1.00 0.00 O ATOM 0 H GLY A 54 -6.724 0.603 -2.210 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.157 -1.046 -4.341 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.584 0.529 -4.853 1.00 0.00 H new ATOM 814 N ILE A 55 -3.640 -1.106 -3.655 1.00 0.00 N ATOM 815 CA ILE A 55 -2.383 -1.328 -2.959 1.00 0.00 C ATOM 816 C ILE A 55 -1.566 -0.047 -3.022 1.00 0.00 C ATOM 817 O ILE A 55 -0.795 0.266 -2.113 1.00 0.00 O ATOM 818 CB ILE A 55 -1.576 -2.495 -3.571 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.386 -2.844 -2.676 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.104 -2.137 -4.969 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.265 -4.166 -3.021 1.00 0.00 C ATOM 0 H ILE A 55 -3.748 -1.631 -4.523 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.603 -1.598 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.225 -3.368 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.359 -2.052 -2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.719 -2.872 -1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.537 -2.969 -5.386 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.967 -1.932 -5.603 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.469 -1.252 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.101 -4.347 -2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.465 -4.969 -2.919 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.629 -4.135 -4.048 1.00 0.00 H new ATOM 833 N LEU A 56 -1.788 0.712 -4.094 1.00 0.00 N ATOM 834 CA LEU A 56 -1.127 1.992 -4.285 1.00 0.00 C ATOM 835 C LEU A 56 -2.129 3.110 -4.011 1.00 0.00 C ATOM 836 O LEU A 56 -1.857 4.277 -4.279 1.00 0.00 O ATOM 837 CB LEU A 56 -0.553 2.126 -5.710 1.00 0.00 C ATOM 838 CG LEU A 56 0.980 2.274 -5.806 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.524 3.078 -4.634 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.636 0.902 -5.861 1.00 0.00 C ATOM 0 H LEU A 56 -2.427 0.455 -4.847 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.290 2.061 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.851 1.249 -6.285 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.013 2.992 -6.187 1.00 0.00 H new ATOM 0 HG LEU A 56 1.216 2.814 -6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.606 3.168 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.076 4.072 -4.635 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.280 2.571 -3.700 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.718 1.018 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.387 0.343 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.274 0.360 -6.735 1.00 0.00 H new ATOM 852 N GLN A 57 -3.295 2.731 -3.466 1.00 0.00 N ATOM 853 CA GLN A 57 -4.360 3.681 -3.130 1.00 0.00 C ATOM 854 C GLN A 57 -5.034 4.249 -4.377 1.00 0.00 C ATOM 855 O GLN A 57 -4.760 5.384 -4.767 1.00 0.00 O ATOM 856 CB GLN A 57 -3.805 4.821 -2.272 1.00 0.00 C ATOM 857 CG GLN A 57 -3.261 4.361 -0.930 1.00 0.00 C ATOM 858 CD GLN A 57 -3.251 5.469 0.105 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.765 6.571 -0.152 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.790 5.182 1.285 1.00 0.00 N ATOM 0 H GLN A 57 -3.523 1.761 -3.248 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.115 3.135 -2.564 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.012 5.326 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.593 5.555 -2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.864 3.531 -0.563 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.247 3.984 -1.063 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.182 4.256 1.455 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.812 5.888 2.021 1.00 0.00 H new ATOM 869 N ILE A 58 -5.908 3.462 -5.016 1.00 0.00 N ATOM 870 CA ILE A 58 -6.576 3.924 -6.213 1.00 0.00 C ATOM 871 C ILE A 58 -7.854 4.660 -5.867 1.00 0.00 C ATOM 872 O ILE A 58 -8.913 4.054 -5.700 1.00 0.00 O ATOM 873 CB ILE A 58 -6.892 2.760 -7.171 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.678 1.834 -7.304 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.313 3.293 -8.532 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.378 2.563 -7.580 1.00 0.00 C ATOM 0 H ILE A 58 -6.159 2.518 -4.721 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.894 4.609 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.720 2.183 -6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.572 1.256 -6.386 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.862 1.122 -8.109 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.533 2.458 -9.198 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.203 3.913 -8.421 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.505 3.891 -8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.566 1.841 -7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.464 3.119 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.168 3.255 -6.764 1.00 0.00 H new ATOM 888 N ASN A 59 -7.744 5.976 -5.765 1.00 0.00 N ATOM 889 CA ASN A 59 -8.888 6.808 -5.451 1.00 0.00 C ATOM 890 C ASN A 59 -9.952 6.623 -6.520 1.00 0.00 C ATOM 891 O ASN A 59 -9.844 7.181 -7.612 1.00 0.00 O ATOM 892 CB ASN A 59 -8.467 8.275 -5.375 1.00 0.00 C ATOM 893 CG ASN A 59 -9.633 9.202 -5.090 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.710 8.762 -4.690 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.421 10.497 -5.296 1.00 0.00 N ATOM 0 H ASN A 59 -6.872 6.488 -5.896 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.294 6.514 -4.483 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.714 8.393 -4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.999 8.564 -6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.167 11.170 -5.122 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.512 10.818 -5.628 1.00 0.00 H new ATOM 902 N SER A 60 -10.977 5.839 -6.213 1.00 0.00 N ATOM 903 CA SER A 60 -12.054 5.591 -7.167 1.00 0.00 C ATOM 904 C SER A 60 -12.859 6.857 -7.455 1.00 0.00 C ATOM 905 O SER A 60 -13.547 6.941 -8.471 1.00 0.00 O ATOM 906 CB SER A 60 -12.988 4.504 -6.633 1.00 0.00 C ATOM 907 OG SER A 60 -13.999 5.056 -5.810 1.00 0.00 O ATOM 0 H SER A 60 -11.087 5.365 -5.316 1.00 0.00 H new ATOM 0 HA SER A 60 -11.596 5.261 -8.099 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.445 3.972 -7.467 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.412 3.773 -6.065 1.00 0.00 H new ATOM 0 HG SER A 60 -13.896 4.720 -4.895 1.00 0.00 H new ATOM 913 N ARG A 61 -12.771 7.844 -6.569 1.00 0.00 N ATOM 914 CA ARG A 61 -13.497 9.095 -6.755 1.00 0.00 C ATOM 915 C ARG A 61 -12.675 10.068 -7.589 1.00 0.00 C ATOM 916 O ARG A 61 -12.900 11.278 -7.560 1.00 0.00 O ATOM 917 CB ARG A 61 -13.838 9.722 -5.402 1.00 0.00 C ATOM 918 CG ARG A 61 -15.112 10.551 -5.419 1.00 0.00 C ATOM 919 CD ARG A 61 -15.199 11.460 -4.203 1.00 0.00 C ATOM 920 NE ARG A 61 -14.263 12.578 -4.286 1.00 0.00 N ATOM 921 CZ ARG A 61 -14.637 13.854 -4.310 1.00 0.00 C ATOM 922 NH1 ARG A 61 -15.924 14.173 -4.257 1.00 0.00 N ATOM 923 NH2 ARG A 61 -13.724 14.812 -4.386 1.00 0.00 N ATOM 0 H ARG A 61 -12.208 7.802 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.425 8.877 -7.284 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.939 8.931 -4.659 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.008 10.353 -5.084 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.145 11.152 -6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.978 9.890 -5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.215 11.844 -4.110 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.993 10.881 -3.303 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.266 12.368 -4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.629 13.439 -4.198 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.208 15.153 -4.276 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.734 14.571 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.012 15.790 -4.404 1.00 0.00 H new ATOM 937 N TRP A 62 -11.719 9.524 -8.334 1.00 0.00 N ATOM 938 CA TRP A 62 -10.859 10.343 -9.182 1.00 0.00 C ATOM 939 C TRP A 62 -10.148 9.529 -10.267 1.00 0.00 C ATOM 940 O TRP A 62 -9.427 10.099 -11.084 1.00 0.00 O ATOM 941 CB TRP A 62 -9.822 11.071 -8.326 1.00 0.00 C ATOM 942 CG TRP A 62 -9.667 12.517 -8.683 1.00 0.00 C ATOM 943 CD1 TRP A 62 -9.142 13.027 -9.837 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.037 13.644 -7.879 1.00 0.00 C ATOM 945 NE1 TRP A 62 -9.165 14.400 -9.799 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.709 14.803 -8.608 1.00 0.00 C ATOM 947 CE3 TRP A 62 -10.614 13.785 -6.614 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.940 16.083 -8.113 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -10.843 15.057 -6.124 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.507 16.192 -6.873 1.00 0.00 C ATOM 0 H TRP A 62 -11.520 8.524 -8.369 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.504 11.062 -9.686 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.107 10.992 -7.277 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.859 10.572 -8.433 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -8.764 12.437 -10.659 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.831 15.019 -10.538 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.876 12.915 -6.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.681 16.960 -8.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.288 15.178 -5.148 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.699 17.173 -6.463 1.00 0.00 H new ATOM 961 N TRP A 63 -10.323 8.205 -10.273 1.00 0.00 N ATOM 962 CA TRP A 63 -9.653 7.371 -11.266 1.00 0.00 C ATOM 963 C TRP A 63 -10.583 6.328 -11.878 1.00 0.00 C ATOM 964 O TRP A 63 -10.860 6.359 -13.077 1.00 0.00 O ATOM 965 CB TRP A 63 -8.442 6.680 -10.632 1.00 0.00 C ATOM 966 CG TRP A 63 -7.357 7.640 -10.260 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.732 7.776 -9.052 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.782 8.617 -11.120 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.793 8.780 -9.121 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.809 9.313 -10.385 1.00 0.00 C ATOM 971 CE3 TRP A 63 -7.003 8.962 -12.447 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.056 10.344 -10.946 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.267 9.977 -13.005 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.300 10.664 -12.257 1.00 0.00 C ATOM 0 H TRP A 63 -10.912 7.697 -9.613 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.329 8.028 -12.074 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.763 6.139 -9.742 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.045 5.942 -11.328 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.944 7.184 -8.174 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.185 9.079 -8.358 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.744 8.438 -13.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.309 10.870 -10.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.435 10.251 -14.036 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.737 11.460 -12.722 1.00 0.00 H new ATOM 985 N CYS A 64 -11.035 5.389 -11.058 1.00 0.00 N ATOM 986 CA CYS A 64 -11.904 4.324 -11.546 1.00 0.00 C ATOM 987 C CYS A 64 -13.375 4.622 -11.309 1.00 0.00 C ATOM 988 O CYS A 64 -13.736 5.424 -10.451 1.00 0.00 O ATOM 989 CB CYS A 64 -11.530 2.984 -10.904 1.00 0.00 C ATOM 990 SG CYS A 64 -12.248 2.709 -9.250 1.00 0.00 S ATOM 0 H CYS A 64 -10.818 5.341 -10.062 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.752 4.263 -12.624 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.851 2.178 -11.564 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.444 2.922 -10.829 1.00 0.00 H new ATOM 995 N ASN A 65 -14.217 3.957 -12.092 1.00 0.00 N ATOM 996 CA ASN A 65 -15.663 4.131 -11.992 1.00 0.00 C ATOM 997 C ASN A 65 -16.296 2.983 -11.213 1.00 0.00 C ATOM 998 O ASN A 65 -16.334 1.847 -11.684 1.00 0.00 O ATOM 999 CB ASN A 65 -16.286 4.220 -13.386 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.773 4.512 -13.337 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.210 5.455 -12.678 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.559 3.701 -14.037 1.00 0.00 N ATOM 0 H ASN A 65 -13.923 3.290 -12.806 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.855 5.061 -11.456 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.784 5.001 -13.956 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.120 3.282 -13.916 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.568 3.848 -14.042 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.153 2.931 -14.569 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.792 3.288 -10.018 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.423 2.283 -9.172 1.00 0.00 C ATOM 1011 C ASP A 66 -18.942 2.327 -9.311 1.00 0.00 C ATOM 1012 O ASP A 66 -19.633 1.364 -8.976 1.00 0.00 O ATOM 1013 CB ASP A 66 -17.025 2.492 -7.710 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.631 3.751 -7.118 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.689 4.774 -7.832 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -18.047 3.713 -5.942 1.00 0.00 O ATOM 0 H ASP A 66 -16.769 4.224 -9.614 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.076 1.302 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.342 1.630 -7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.939 2.546 -7.636 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.455 3.447 -9.810 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.888 3.594 -9.988 1.00 0.00 C ATOM 1023 C GLY A 67 -21.610 3.908 -8.692 1.00 0.00 C ATOM 1024 O GLY A 67 -22.796 4.236 -8.700 1.00 0.00 O ATOM 0 H GLY A 67 -18.903 4.256 -10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.081 4.389 -10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.293 2.675 -10.411 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.895 3.807 -7.576 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.479 4.082 -6.267 1.00 0.00 C ATOM 1030 C ARG A 68 -21.070 5.463 -5.765 1.00 0.00 C ATOM 1031 O ARG A 68 -21.470 5.881 -4.679 1.00 0.00 O ATOM 1032 CB ARG A 68 -21.048 3.013 -5.260 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.845 1.723 -5.364 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.027 0.524 -4.912 1.00 0.00 C ATOM 1035 NE ARG A 68 -20.603 0.644 -3.521 1.00 0.00 N ATOM 1036 CZ ARG A 68 -21.379 0.343 -2.484 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -22.616 -0.093 -2.682 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -20.919 0.479 -1.248 1.00 0.00 N ATOM 0 H ARG A 68 -19.912 3.537 -7.551 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.564 4.061 -6.370 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.991 2.791 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.151 3.413 -4.251 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -22.746 1.801 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -22.169 1.576 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -21.617 -0.384 -5.034 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -20.150 0.422 -5.551 1.00 0.00 H new ATOM 0 HE ARG A 68 -19.658 0.978 -3.333 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -22.974 -0.198 -3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -23.209 -0.323 -1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -19.969 0.815 -1.092 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -21.515 0.248 -0.454 1.00 0.00 H new ATOM 1052 N THR A 69 -20.271 6.166 -6.563 1.00 0.00 N ATOM 1053 CA THR A 69 -19.811 7.500 -6.197 1.00 0.00 C ATOM 1054 C THR A 69 -19.859 8.448 -7.394 1.00 0.00 C ATOM 1055 O THR A 69 -19.074 8.315 -8.332 1.00 0.00 O ATOM 1056 CB THR A 69 -18.375 7.467 -5.643 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.167 6.265 -4.891 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.107 8.675 -4.758 1.00 0.00 C ATOM 0 H THR A 69 -19.930 5.834 -7.465 1.00 0.00 H new ATOM 0 HA THR A 69 -20.485 7.863 -5.421 1.00 0.00 H new ATOM 0 HB THR A 69 -17.685 7.493 -6.486 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.136 5.499 -5.501 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.086 8.629 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.237 9.588 -5.339 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.805 8.675 -3.921 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.786 9.424 -7.376 1.00 0.00 N ATOM 1067 CA PRO A 70 -20.929 10.395 -8.466 1.00 0.00 C ATOM 1068 C PRO A 70 -19.764 11.378 -8.522 1.00 0.00 C ATOM 1069 O PRO A 70 -18.996 11.499 -7.567 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.229 11.125 -8.123 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.358 10.993 -6.646 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.763 9.658 -6.295 1.00 0.00 C ATOM 0 HA PRO A 70 -20.941 9.912 -9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.187 12.172 -8.425 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.081 10.679 -8.636 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -21.833 11.800 -6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.403 11.047 -6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.283 9.677 -5.317 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.522 8.876 -6.263 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.640 12.077 -9.645 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.566 13.041 -9.805 1.00 0.00 C ATOM 1082 C GLY A 71 -17.226 12.378 -10.059 1.00 0.00 C ATOM 1083 O GLY A 71 -16.198 13.051 -10.139 1.00 0.00 O ATOM 0 H GLY A 71 -20.264 11.994 -10.448 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.801 13.708 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.499 13.658 -8.909 1.00 0.00 H new ATOM 1087 N SER A 72 -17.239 11.055 -10.185 1.00 0.00 N ATOM 1088 CA SER A 72 -16.018 10.296 -10.430 1.00 0.00 C ATOM 1089 C SER A 72 -15.399 10.680 -11.771 1.00 0.00 C ATOM 1090 O SER A 72 -16.051 10.602 -12.812 1.00 0.00 O ATOM 1091 CB SER A 72 -16.313 8.795 -10.402 1.00 0.00 C ATOM 1092 OG SER A 72 -15.190 8.047 -10.837 1.00 0.00 O ATOM 0 H SER A 72 -18.083 10.486 -10.121 1.00 0.00 H new ATOM 0 HA SER A 72 -15.306 10.534 -9.640 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.585 8.493 -9.391 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.169 8.577 -11.041 1.00 0.00 H new ATOM 0 HG SER A 72 -14.687 7.729 -10.058 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.134 11.088 -11.735 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.423 11.480 -12.946 1.00 0.00 C ATOM 1100 C ARG A 73 -13.368 10.319 -13.935 1.00 0.00 C ATOM 1101 O ARG A 73 -13.480 10.513 -15.145 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.005 11.943 -12.605 1.00 0.00 C ATOM 1103 CG ARG A 73 -11.944 13.356 -12.048 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.966 14.394 -13.159 1.00 0.00 C ATOM 1105 NE ARG A 73 -10.687 14.473 -13.859 1.00 0.00 N ATOM 1106 CZ ARG A 73 -10.548 14.963 -15.087 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -11.604 15.415 -15.749 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -9.350 15.001 -15.654 1.00 0.00 N ATOM 0 H ARG A 73 -13.581 11.156 -10.881 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.963 12.307 -13.407 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.572 11.256 -11.878 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.388 11.888 -13.502 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.788 13.521 -11.378 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -11.037 13.476 -11.455 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.754 14.147 -13.870 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.210 15.370 -12.739 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.854 14.133 -13.379 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.527 15.388 -15.316 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.493 15.790 -16.691 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.535 14.654 -15.148 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.243 15.377 -16.596 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.203 9.111 -13.401 1.00 0.00 N ATOM 1123 CA ASN A 74 -13.141 7.903 -14.220 1.00 0.00 C ATOM 1124 C ASN A 74 -12.067 8.045 -15.281 1.00 0.00 C ATOM 1125 O ASN A 74 -12.125 7.417 -16.339 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.499 7.625 -14.871 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.563 6.256 -15.525 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -15.263 6.063 -16.517 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -13.830 5.297 -14.968 1.00 0.00 N ATOM 0 H ASN A 74 -13.109 8.942 -12.399 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.889 7.060 -13.577 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.282 7.700 -14.116 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.703 8.391 -15.619 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.834 4.357 -15.364 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.263 5.501 -14.145 1.00 0.00 H new ATOM 1136 N LEU A 75 -11.075 8.864 -14.971 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.960 9.096 -15.854 1.00 0.00 C ATOM 1138 C LEU A 75 -9.348 7.779 -16.256 1.00 0.00 C ATOM 1139 O LEU A 75 -9.569 7.262 -17.351 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.936 9.917 -15.096 1.00 0.00 C ATOM 1141 CG LEU A 75 -9.101 11.429 -15.248 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.015 12.179 -14.495 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -9.106 11.827 -16.717 1.00 0.00 C ATOM 0 H LEU A 75 -11.027 9.385 -14.095 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.287 9.620 -16.752 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.995 9.662 -14.038 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.939 9.636 -15.436 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.062 11.704 -14.814 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.159 13.252 -14.622 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.068 11.929 -13.435 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.038 11.895 -14.887 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.225 12.907 -16.801 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.165 11.528 -17.178 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.933 11.331 -17.226 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.590 7.260 -15.317 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.912 5.995 -15.440 1.00 0.00 C ATOM 1157 C CYS A 76 -8.758 4.987 -16.215 1.00 0.00 C ATOM 1158 O CYS A 76 -8.229 4.126 -16.919 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.670 5.499 -14.035 1.00 0.00 C ATOM 1160 SG CYS A 76 -6.004 4.846 -13.715 1.00 0.00 S ATOM 0 H CYS A 76 -8.425 7.721 -14.422 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.978 6.114 -15.990 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.860 6.318 -13.341 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.397 4.718 -13.813 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.078 5.107 -16.073 1.00 0.00 N ATOM 1166 CA ASN A 77 -11.010 4.215 -16.750 1.00 0.00 C ATOM 1167 C ASN A 77 -10.655 2.769 -16.447 1.00 0.00 C ATOM 1168 O ASN A 77 -10.427 1.967 -17.353 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.988 4.461 -18.260 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.258 5.121 -18.757 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -13.364 4.676 -18.453 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.106 6.191 -19.530 1.00 0.00 N ATOM 0 H ASN A 77 -10.524 5.817 -15.492 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.017 4.418 -16.384 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.133 5.089 -18.510 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.848 3.512 -18.778 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.925 6.677 -19.896 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.170 6.527 -19.758 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.591 2.451 -15.161 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.239 1.109 -14.732 1.00 0.00 C ATOM 1181 C ILE A 78 -11.345 0.473 -13.897 1.00 0.00 C ATOM 1182 O ILE A 78 -12.089 1.168 -13.206 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.926 1.115 -13.921 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.207 1.016 -12.411 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.137 2.367 -14.249 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.307 1.880 -11.550 1.00 0.00 C ATOM 0 H ILE A 78 -10.778 3.104 -14.400 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.103 0.515 -15.636 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.335 0.242 -14.197 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.244 1.297 -12.227 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -9.098 -0.023 -12.101 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.209 2.373 -13.677 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.907 2.383 -15.314 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.727 3.247 -13.992 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.573 1.750 -10.501 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.268 1.586 -11.700 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.432 2.926 -11.829 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.454 -0.865 -13.926 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.451 -1.585 -13.144 1.00 0.00 C ATOM 1200 C PRO A 79 -12.055 -1.595 -11.672 1.00 0.00 C ATOM 1201 O PRO A 79 -11.021 -2.152 -11.305 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.430 -3.007 -13.725 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.520 -2.955 -14.911 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.608 -1.782 -14.694 1.00 0.00 C ATOM 0 HA PRO A 79 -13.441 -1.132 -13.197 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.069 -3.724 -12.988 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.431 -3.325 -14.015 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.949 -3.879 -15.003 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -12.090 -2.839 -15.833 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.709 -2.062 -14.145 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.282 -1.341 -15.636 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.862 -0.952 -10.840 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.574 -0.861 -9.415 1.00 0.00 C ATOM 1214 C CYS A 80 -12.526 -2.236 -8.747 1.00 0.00 C ATOM 1215 O CYS A 80 -11.496 -2.629 -8.203 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.606 0.032 -8.730 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.916 1.603 -9.604 1.00 0.00 S ATOM 0 H CYS A 80 -13.722 -0.485 -11.127 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.584 -0.418 -9.306 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.545 -0.515 -8.642 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.268 0.251 -7.717 1.00 0.00 H new ATOM 1222 N SER A 81 -13.642 -2.956 -8.780 1.00 0.00 N ATOM 1223 CA SER A 81 -13.720 -4.278 -8.160 1.00 0.00 C ATOM 1224 C SER A 81 -12.729 -5.260 -8.783 1.00 0.00 C ATOM 1225 O SER A 81 -12.362 -6.256 -8.158 1.00 0.00 O ATOM 1226 CB SER A 81 -15.141 -4.833 -8.274 1.00 0.00 C ATOM 1227 OG SER A 81 -15.696 -4.557 -9.549 1.00 0.00 O ATOM 0 H SER A 81 -14.505 -2.649 -9.228 1.00 0.00 H new ATOM 0 HA SER A 81 -13.457 -4.160 -7.109 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.129 -5.910 -8.105 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.769 -4.395 -7.498 1.00 0.00 H new ATOM 0 HG SER A 81 -16.604 -4.923 -9.597 1.00 0.00 H new ATOM 1233 N ALA A 82 -12.292 -4.982 -10.008 1.00 0.00 N ATOM 1234 CA ALA A 82 -11.338 -5.856 -10.688 1.00 0.00 C ATOM 1235 C ALA A 82 -9.906 -5.447 -10.367 1.00 0.00 C ATOM 1236 O ALA A 82 -8.968 -6.223 -10.552 1.00 0.00 O ATOM 1237 CB ALA A 82 -11.575 -5.840 -12.188 1.00 0.00 C ATOM 0 H ALA A 82 -12.580 -4.166 -10.547 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.490 -6.873 -10.326 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.855 -6.496 -12.677 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.586 -6.188 -12.400 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.454 -4.824 -12.565 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.749 -4.224 -9.872 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.436 -3.709 -9.508 1.00 0.00 C ATOM 1245 C LEU A 83 -8.115 -4.068 -8.062 1.00 0.00 C ATOM 1246 O LEU A 83 -7.010 -3.832 -7.575 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.376 -2.188 -9.715 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.598 -1.334 -8.464 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.269 -0.990 -7.810 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -9.359 -0.065 -8.813 1.00 0.00 C ATOM 0 H LEU A 83 -10.516 -3.571 -9.714 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.689 -4.169 -10.155 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.402 -1.936 -10.135 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.125 -1.912 -10.457 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.193 -1.911 -7.756 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.447 -0.383 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.755 -1.908 -7.525 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.651 -0.432 -8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.508 0.530 -7.912 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.788 0.514 -9.539 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.328 -0.327 -9.239 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.099 -4.648 -7.387 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.948 -5.046 -5.997 1.00 0.00 C ATOM 1264 C LEU A 84 -8.709 -6.544 -5.885 1.00 0.00 C ATOM 1265 O LEU A 84 -8.595 -7.089 -4.786 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.190 -4.633 -5.214 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.583 -3.167 -5.392 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.644 -2.769 -4.382 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.361 -2.263 -5.270 1.00 0.00 C ATOM 0 H LEU A 84 -10.016 -4.854 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.078 -4.543 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.026 -5.262 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.019 -4.826 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.000 -3.046 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.909 -1.722 -4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.529 -3.390 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.257 -2.909 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.663 -1.224 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.911 -2.390 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.634 -2.528 -6.038 1.00 0.00 H new ATOM 1281 N SER A 85 -8.621 -7.201 -7.034 1.00 0.00 N ATOM 1282 CA SER A 85 -8.377 -8.637 -7.084 1.00 0.00 C ATOM 1283 C SER A 85 -6.984 -8.964 -6.571 1.00 0.00 C ATOM 1284 O SER A 85 -6.274 -8.095 -6.061 1.00 0.00 O ATOM 1285 CB SER A 85 -8.538 -9.151 -8.516 1.00 0.00 C ATOM 1286 OG SER A 85 -9.398 -10.277 -8.561 1.00 0.00 O ATOM 0 H SER A 85 -8.716 -6.760 -7.949 1.00 0.00 H new ATOM 0 HA SER A 85 -9.108 -9.130 -6.443 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.939 -8.358 -9.147 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.562 -9.418 -8.921 1.00 0.00 H new ATOM 0 HG SER A 85 -9.486 -10.585 -9.487 1.00 0.00 H new ATOM 1292 N SER A 86 -6.598 -10.220 -6.718 1.00 0.00 N ATOM 1293 CA SER A 86 -5.284 -10.677 -6.280 1.00 0.00 C ATOM 1294 C SER A 86 -4.229 -10.332 -7.324 1.00 0.00 C ATOM 1295 O SER A 86 -3.220 -11.026 -7.461 1.00 0.00 O ATOM 1296 CB SER A 86 -5.302 -12.187 -6.028 1.00 0.00 C ATOM 1297 OG SER A 86 -4.260 -12.570 -5.148 1.00 0.00 O ATOM 0 H SER A 86 -7.177 -10.947 -7.139 1.00 0.00 H new ATOM 0 HA SER A 86 -5.034 -10.170 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.264 -12.477 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.197 -12.718 -6.974 1.00 0.00 H new ATOM 0 HG SER A 86 -3.403 -12.242 -5.493 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.482 -9.259 -8.062 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.575 -8.810 -9.108 1.00 0.00 C ATOM 1305 C ASP A 87 -3.321 -7.310 -8.998 1.00 0.00 C ATOM 1306 O ASP A 87 -4.255 -6.508 -9.049 1.00 0.00 O ATOM 1307 CB ASP A 87 -4.168 -9.151 -10.474 1.00 0.00 C ATOM 1308 CG ASP A 87 -3.292 -8.693 -11.622 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -2.062 -8.601 -11.431 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -3.837 -8.429 -12.715 1.00 0.00 O ATOM 0 H ASP A 87 -5.315 -8.680 -7.953 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.619 -9.321 -8.991 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.316 -10.229 -10.543 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.151 -8.688 -10.565 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.053 -6.934 -8.839 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.682 -5.528 -8.716 1.00 0.00 C ATOM 1317 C ILE A 88 -1.621 -4.838 -10.070 1.00 0.00 C ATOM 1318 O ILE A 88 -1.408 -3.632 -10.142 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.317 -5.346 -8.020 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.588 -6.551 -8.283 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.500 -5.121 -6.529 1.00 0.00 C ATOM 1322 CD1 ILE A 88 2.053 -6.191 -8.388 1.00 0.00 C ATOM 0 H ILE A 88 -1.268 -7.583 -8.793 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.462 -5.072 -8.107 1.00 0.00 H new ATOM 0 HB ILE A 88 0.165 -4.463 -8.438 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.457 -7.277 -7.480 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.274 -7.037 -9.207 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.475 -4.995 -6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.100 -4.225 -6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.007 -5.981 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.637 -7.092 -8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.197 -5.489 -9.209 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.383 -5.732 -7.456 1.00 0.00 H new ATOM 1334 N THR A 89 -1.794 -5.601 -11.143 1.00 0.00 N ATOM 1335 CA THR A 89 -1.745 -5.037 -12.486 1.00 0.00 C ATOM 1336 C THR A 89 -2.654 -3.820 -12.609 1.00 0.00 C ATOM 1337 O THR A 89 -2.236 -2.774 -13.102 1.00 0.00 O ATOM 1338 CB THR A 89 -2.145 -6.075 -13.552 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.253 -7.195 -13.504 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.118 -5.463 -14.945 1.00 0.00 C ATOM 0 H THR A 89 -1.968 -6.605 -11.110 1.00 0.00 H new ATOM 0 HA THR A 89 -0.713 -4.733 -12.659 1.00 0.00 H new ATOM 0 HB THR A 89 -3.161 -6.407 -13.338 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.270 -7.588 -12.607 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.404 -6.216 -15.679 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.818 -4.629 -14.989 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.112 -5.105 -15.166 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.901 -3.967 -12.177 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.869 -2.891 -12.257 1.00 0.00 C ATOM 1350 C ALA A 90 -4.519 -1.723 -11.332 1.00 0.00 C ATOM 1351 O ALA A 90 -4.482 -0.572 -11.769 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.259 -3.417 -11.949 1.00 0.00 C ATOM 0 H ALA A 90 -4.262 -4.828 -11.766 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.846 -2.506 -13.276 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.979 -2.601 -12.012 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.523 -4.190 -12.670 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.274 -3.838 -10.944 1.00 0.00 H new ATOM 1358 N SER A 91 -4.261 -2.019 -10.058 1.00 0.00 N ATOM 1359 CA SER A 91 -3.914 -0.981 -9.087 1.00 0.00 C ATOM 1360 C SER A 91 -2.630 -0.264 -9.480 1.00 0.00 C ATOM 1361 O SER A 91 -2.458 0.922 -9.199 1.00 0.00 O ATOM 1362 CB SER A 91 -3.759 -1.585 -7.690 1.00 0.00 C ATOM 1363 OG SER A 91 -4.552 -2.750 -7.545 1.00 0.00 O ATOM 0 H SER A 91 -4.285 -2.964 -9.676 1.00 0.00 H new ATOM 0 HA SER A 91 -4.726 -0.254 -9.077 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.712 -1.830 -7.511 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.047 -0.850 -6.939 1.00 0.00 H new ATOM 0 HG SER A 91 -4.021 -3.539 -7.784 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.733 -0.986 -10.134 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.477 -0.389 -10.551 1.00 0.00 C ATOM 1371 C VAL A 92 -0.648 0.401 -11.828 1.00 0.00 C ATOM 1372 O VAL A 92 -0.165 1.516 -11.918 1.00 0.00 O ATOM 1373 CB VAL A 92 0.659 -1.411 -10.748 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.860 -0.735 -11.409 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.054 -2.036 -9.418 1.00 0.00 C ATOM 0 H VAL A 92 -1.849 -1.968 -10.383 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.189 0.270 -9.732 1.00 0.00 H new ATOM 0 HB VAL A 92 0.306 -2.209 -11.402 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.659 -1.464 -11.545 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.564 -0.336 -12.379 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.215 0.078 -10.775 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.858 -2.755 -9.578 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.395 -1.256 -8.737 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.193 -2.545 -8.985 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.324 -0.170 -12.814 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.534 0.515 -14.062 1.00 0.00 C ATOM 1387 C ASN A 93 -2.072 1.913 -13.807 1.00 0.00 C ATOM 1388 O ASN A 93 -1.610 2.896 -14.394 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.480 -0.286 -14.937 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.695 0.504 -15.386 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.737 0.486 -14.731 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.567 1.200 -16.509 1.00 0.00 N ATOM 0 H ASN A 93 -1.732 -1.104 -12.766 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.583 0.611 -14.586 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.940 -0.640 -15.815 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.811 -1.169 -14.390 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.351 1.749 -16.861 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.684 1.186 -17.020 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.035 1.992 -12.901 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.621 3.265 -12.541 1.00 0.00 C ATOM 1401 C CYS A 94 -2.569 4.163 -11.914 1.00 0.00 C ATOM 1402 O CYS A 94 -2.421 5.320 -12.304 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.792 3.075 -11.582 1.00 0.00 C ATOM 1404 SG CYS A 94 -6.072 4.358 -11.745 1.00 0.00 S ATOM 0 H CYS A 94 -3.423 1.190 -12.405 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.999 3.737 -13.448 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.242 2.098 -11.758 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.418 3.073 -10.558 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.832 3.628 -10.940 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.799 4.416 -10.286 1.00 0.00 C ATOM 1411 C ALA A 95 0.315 4.730 -11.266 1.00 0.00 C ATOM 1412 O ALA A 95 0.954 5.768 -11.171 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.254 3.722 -9.061 1.00 0.00 C ATOM 0 H ALA A 95 -1.931 2.673 -10.595 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.252 5.349 -9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.515 4.344 -8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.061 3.557 -8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.178 2.763 -9.348 1.00 0.00 H new ATOM 1419 N LYS A 96 0.528 3.833 -12.222 1.00 0.00 N ATOM 1420 CA LYS A 96 1.544 4.044 -13.235 1.00 0.00 C ATOM 1421 C LYS A 96 1.288 5.415 -13.843 1.00 0.00 C ATOM 1422 O LYS A 96 2.200 6.207 -14.096 1.00 0.00 O ATOM 1423 CB LYS A 96 1.466 2.960 -14.314 1.00 0.00 C ATOM 1424 CG LYS A 96 2.217 1.689 -13.955 1.00 0.00 C ATOM 1425 CD LYS A 96 1.918 0.569 -14.939 1.00 0.00 C ATOM 1426 CE LYS A 96 2.914 0.554 -16.086 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.787 -0.674 -16.918 1.00 0.00 N ATOM 0 H LYS A 96 0.011 2.958 -12.313 1.00 0.00 H new ATOM 0 HA LYS A 96 2.540 3.992 -12.796 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.420 2.715 -14.496 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.867 3.358 -15.246 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.288 1.889 -13.944 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.941 1.374 -12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.945 -0.389 -14.420 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.909 0.690 -15.334 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.760 1.433 -16.711 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.927 0.619 -15.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.484 -0.645 -17.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.959 -1.513 -16.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.829 -0.724 -17.319 1.00 0.00 H new ATOM 1441 N LYS A 97 -0.002 5.684 -14.013 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.471 6.957 -14.532 1.00 0.00 C ATOM 1443 C LYS A 97 -0.434 8.007 -13.425 1.00 0.00 C ATOM 1444 O LYS A 97 -0.116 9.173 -13.669 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.892 6.823 -15.085 1.00 0.00 C ATOM 1446 CG LYS A 97 -1.992 7.091 -16.577 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.983 6.153 -17.246 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.873 6.893 -18.232 1.00 0.00 C ATOM 1449 NZ LYS A 97 -5.308 6.826 -17.844 1.00 0.00 N ATOM 0 H LYS A 97 -0.749 5.024 -13.794 1.00 0.00 H new ATOM 0 HA LYS A 97 0.184 7.268 -15.345 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.259 5.818 -14.880 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.546 7.516 -14.555 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.298 8.124 -16.742 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.010 6.972 -17.036 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.443 5.361 -17.765 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.600 5.673 -16.487 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.561 7.936 -18.290 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.746 6.466 -19.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.887 7.284 -18.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.595 5.831 -17.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.446 7.316 -16.937 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.744 7.577 -12.201 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.729 8.473 -11.054 1.00 0.00 C ATOM 1465 C ILE A 98 0.651 9.097 -10.891 1.00 0.00 C ATOM 1466 O ILE A 98 0.791 10.310 -10.764 1.00 0.00 O ATOM 1467 CB ILE A 98 -1.132 7.755 -9.752 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.596 7.305 -9.830 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.918 8.672 -8.554 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -3.033 6.451 -8.659 1.00 0.00 C ATOM 0 H ILE A 98 -1.007 6.616 -11.983 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.465 9.254 -11.245 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.503 6.874 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.235 8.186 -9.884 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.746 6.745 -10.753 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -1.207 8.151 -7.641 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.133 8.953 -8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.527 9.569 -8.669 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -4.079 6.171 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.419 5.551 -8.616 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.916 7.015 -7.734 1.00 0.00 H new ATOM 1482 N VAL A 99 1.663 8.241 -10.896 1.00 0.00 N ATOM 1483 CA VAL A 99 3.047 8.662 -10.754 1.00 0.00 C ATOM 1484 C VAL A 99 3.549 9.353 -12.019 1.00 0.00 C ATOM 1485 O VAL A 99 4.493 10.142 -11.968 1.00 0.00 O ATOM 1486 CB VAL A 99 3.958 7.461 -10.442 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.014 6.511 -11.630 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.352 7.930 -10.058 1.00 0.00 C ATOM 0 H VAL A 99 1.546 7.233 -10.999 1.00 0.00 H new ATOM 0 HA VAL A 99 3.083 9.369 -9.925 1.00 0.00 H new ATOM 0 HB VAL A 99 3.537 6.921 -9.593 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.663 5.668 -11.392 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.011 6.146 -11.852 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.409 7.038 -12.499 1.00 0.00 H new ATOM 0 HG21 VAL A 99 5.980 7.066 -9.841 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.785 8.496 -10.883 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.292 8.565 -9.174 1.00 0.00 H new ATOM 1498 N SER A 100 2.913 9.062 -13.152 1.00 0.00 N ATOM 1499 CA SER A 100 3.305 9.670 -14.420 1.00 0.00 C ATOM 1500 C SER A 100 2.647 11.036 -14.597 1.00 0.00 C ATOM 1501 O SER A 100 2.971 11.775 -15.528 1.00 0.00 O ATOM 1502 CB SER A 100 2.931 8.757 -15.588 1.00 0.00 C ATOM 1503 OG SER A 100 1.576 8.933 -15.961 1.00 0.00 O ATOM 0 H SER A 100 2.129 8.413 -13.217 1.00 0.00 H new ATOM 0 HA SER A 100 4.386 9.806 -14.407 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.576 8.969 -16.440 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.102 7.717 -15.310 1.00 0.00 H new ATOM 0 HG SER A 100 1.047 9.169 -15.170 1.00 0.00 H new ATOM 1509 N ASP A 101 1.719 11.364 -13.703 1.00 0.00 N ATOM 1510 CA ASP A 101 1.016 12.641 -13.771 1.00 0.00 C ATOM 1511 C ASP A 101 0.997 13.348 -12.417 1.00 0.00 C ATOM 1512 O ASP A 101 0.560 14.495 -12.317 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.416 12.428 -14.264 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.704 13.183 -15.547 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.560 14.425 -15.550 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.072 12.534 -16.548 1.00 0.00 O ATOM 0 H ASP A 101 1.437 10.766 -12.926 1.00 0.00 H new ATOM 0 HA ASP A 101 1.554 13.276 -14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.587 11.364 -14.426 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -1.115 12.750 -13.492 1.00 0.00 H new ATOM 1521 N GLY A 102 1.457 12.661 -11.375 1.00 0.00 N ATOM 1522 CA GLY A 102 1.465 13.247 -10.046 1.00 0.00 C ATOM 1523 C GLY A 102 2.853 13.638 -9.575 1.00 0.00 C ATOM 1524 O GLY A 102 3.624 14.238 -10.325 1.00 0.00 O ATOM 0 H GLY A 102 1.824 11.711 -11.427 1.00 0.00 H new ATOM 0 HA2 GLY A 102 0.824 14.129 -10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.035 12.537 -9.340 1.00 0.00 H new ATOM 1528 N ASN A 103 3.168 13.304 -8.325 1.00 0.00 N ATOM 1529 CA ASN A 103 4.468 13.631 -7.750 1.00 0.00 C ATOM 1530 C ASN A 103 5.166 12.389 -7.197 1.00 0.00 C ATOM 1531 O ASN A 103 5.457 12.309 -6.005 1.00 0.00 O ATOM 1532 CB ASN A 103 4.305 14.674 -6.642 1.00 0.00 C ATOM 1533 CG ASN A 103 3.490 15.871 -7.089 1.00 0.00 C ATOM 1534 OD1 ASN A 103 2.359 16.068 -6.644 1.00 0.00 O ATOM 1535 ND2 ASN A 103 4.060 16.678 -7.978 1.00 0.00 N ATOM 0 H ASN A 103 2.540 12.808 -7.693 1.00 0.00 H new ATOM 0 HA ASN A 103 5.091 14.040 -8.546 1.00 0.00 H new ATOM 0 HB2 ASN A 103 3.824 14.212 -5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 103 5.289 15.010 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.558 17.498 -8.318 1.00 0.00 H new ATOM 0 HD22 ASN A 103 5.000 16.477 -8.320 1.00 0.00 H new ATOM 1542 N GLY A 104 5.447 11.435 -8.079 1.00 0.00 N ATOM 1543 CA GLY A 104 6.126 10.216 -7.677 1.00 0.00 C ATOM 1544 C GLY A 104 5.510 9.545 -6.463 1.00 0.00 C ATOM 1545 O GLY A 104 4.296 9.360 -6.393 1.00 0.00 O ATOM 0 H GLY A 104 5.215 11.485 -9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.118 9.515 -8.511 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.170 10.446 -7.463 1.00 0.00 H new ATOM 1549 N MET A 105 6.363 9.186 -5.508 1.00 0.00 N ATOM 1550 CA MET A 105 5.935 8.530 -4.278 1.00 0.00 C ATOM 1551 C MET A 105 5.479 9.565 -3.268 1.00 0.00 C ATOM 1552 O MET A 105 4.970 9.229 -2.199 1.00 0.00 O ATOM 1553 CB MET A 105 7.091 7.727 -3.681 1.00 0.00 C ATOM 1554 CG MET A 105 8.078 7.213 -4.715 1.00 0.00 C ATOM 1555 SD MET A 105 7.306 6.142 -5.939 1.00 0.00 S ATOM 1556 CE MET A 105 6.248 5.166 -4.881 1.00 0.00 C ATOM 0 H MET A 105 7.369 9.342 -5.566 1.00 0.00 H new ATOM 0 HA MET A 105 5.108 7.860 -4.513 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.623 8.352 -2.964 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.685 6.880 -3.127 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.543 8.060 -5.220 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.875 6.666 -4.211 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.174 4.152 -5.275 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.668 5.135 -3.876 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.255 5.615 -4.846 1.00 0.00 H new ATOM 1566 N ASN A 106 5.682 10.826 -3.614 1.00 0.00 N ATOM 1567 CA ASN A 106 5.314 11.928 -2.748 1.00 0.00 C ATOM 1568 C ASN A 106 3.805 12.143 -2.730 1.00 0.00 C ATOM 1569 O ASN A 106 3.253 12.620 -1.738 1.00 0.00 O ATOM 1570 CB ASN A 106 6.025 13.196 -3.216 1.00 0.00 C ATOM 1571 CG ASN A 106 7.368 13.391 -2.541 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.326 12.667 -2.815 1.00 0.00 O ATOM 1573 ND2 ASN A 106 7.446 14.375 -1.652 1.00 0.00 N ATOM 0 H ASN A 106 6.104 11.111 -4.498 1.00 0.00 H new ATOM 0 HA ASN A 106 5.622 11.688 -1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.168 13.151 -4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.391 14.060 -3.014 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.325 14.555 -1.166 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.627 14.951 -1.455 1.00 0.00 H new ATOM 1580 N ALA A 107 3.139 11.792 -3.829 1.00 0.00 N ATOM 1581 CA ALA A 107 1.693 11.952 -3.924 1.00 0.00 C ATOM 1582 C ALA A 107 0.993 11.287 -2.746 1.00 0.00 C ATOM 1583 O ALA A 107 0.113 11.877 -2.117 1.00 0.00 O ATOM 1584 CB ALA A 107 1.183 11.377 -5.237 1.00 0.00 C ATOM 0 H ALA A 107 3.577 11.397 -4.661 1.00 0.00 H new ATOM 0 HA ALA A 107 1.466 13.018 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.102 11.503 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.654 11.899 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.427 10.316 -5.289 1.00 0.00 H new ATOM 1590 N TRP A 108 1.389 10.053 -2.457 1.00 0.00 N ATOM 1591 CA TRP A 108 0.803 9.300 -1.359 1.00 0.00 C ATOM 1592 C TRP A 108 1.397 9.744 -0.024 1.00 0.00 C ATOM 1593 O TRP A 108 2.600 9.975 0.092 1.00 0.00 O ATOM 1594 CB TRP A 108 1.005 7.803 -1.588 1.00 0.00 C ATOM 1595 CG TRP A 108 0.403 7.335 -2.881 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.903 7.014 -3.108 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.084 7.148 -4.128 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.078 6.638 -4.419 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.128 6.710 -5.067 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.407 7.309 -4.542 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.457 6.430 -6.394 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.733 7.034 -5.856 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.762 6.599 -6.769 1.00 0.00 C ATOM 0 H TRP A 108 2.115 9.553 -2.970 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.268 9.499 -1.324 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.072 7.579 -1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.560 7.249 -0.762 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.686 7.050 -2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.962 6.352 -4.841 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.163 7.643 -3.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.290 6.093 -7.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.754 7.156 -6.186 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.050 6.393 -7.789 1.00 0.00 H new ATOM 1614 N VAL A 109 0.524 9.897 0.964 1.00 0.00 N ATOM 1615 CA VAL A 109 0.917 10.358 2.296 1.00 0.00 C ATOM 1616 C VAL A 109 1.562 9.280 3.154 1.00 0.00 C ATOM 1617 O VAL A 109 2.242 9.594 4.131 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.283 10.896 3.060 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.136 12.001 4.016 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.373 11.376 2.112 1.00 0.00 C ATOM 0 H VAL A 109 -0.474 9.707 0.868 1.00 0.00 H new ATOM 0 HA VAL A 109 1.655 11.139 2.114 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.697 10.078 3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.739 12.370 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.860 11.609 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.588 12.817 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.217 11.754 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.980 12.172 1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.704 10.546 1.488 1.00 0.00 H new ATOM 1630 N ALA A 110 1.364 8.021 2.804 1.00 0.00 N ATOM 1631 CA ALA A 110 1.955 6.932 3.573 1.00 0.00 C ATOM 1632 C ALA A 110 3.450 6.852 3.320 1.00 0.00 C ATOM 1633 O ALA A 110 4.223 6.479 4.203 1.00 0.00 O ATOM 1634 CB ALA A 110 1.281 5.610 3.241 1.00 0.00 C ATOM 0 H ALA A 110 0.806 7.726 2.003 1.00 0.00 H new ATOM 0 HA ALA A 110 1.797 7.136 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.738 4.812 3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.219 5.673 3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.402 5.396 2.179 1.00 0.00 H new ATOM 1640 N TRP A 111 3.854 7.236 2.119 1.00 0.00 N ATOM 1641 CA TRP A 111 5.262 7.237 1.769 1.00 0.00 C ATOM 1642 C TRP A 111 5.912 8.499 2.320 1.00 0.00 C ATOM 1643 O TRP A 111 7.070 8.483 2.733 1.00 0.00 O ATOM 1644 CB TRP A 111 5.459 7.136 0.254 1.00 0.00 C ATOM 1645 CG TRP A 111 6.901 7.124 -0.158 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.675 6.025 -0.396 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.742 8.263 -0.378 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.946 6.410 -0.750 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.012 7.779 -0.746 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.546 9.645 -0.300 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.077 8.627 -1.036 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.604 10.486 -0.588 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.856 9.975 -0.952 1.00 0.00 C ATOM 0 H TRP A 111 3.230 7.549 1.376 1.00 0.00 H new ATOM 0 HA TRP A 111 5.738 6.362 2.212 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.977 6.228 -0.108 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.958 7.976 -0.227 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.338 5.002 -0.318 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.715 5.780 -0.978 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.584 10.048 -0.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.043 8.235 -1.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.463 11.555 -0.531 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.663 10.658 -1.171 1.00 0.00 H new ATOM 1664 N ARG A 112 5.150 9.592 2.347 1.00 0.00 N ATOM 1665 CA ARG A 112 5.644 10.856 2.876 1.00 0.00 C ATOM 1666 C ARG A 112 5.301 10.986 4.355 1.00 0.00 C ATOM 1667 O ARG A 112 4.814 12.025 4.803 1.00 0.00 O ATOM 1668 CB ARG A 112 5.031 12.017 2.112 1.00 0.00 C ATOM 1669 CG ARG A 112 5.920 12.562 1.006 1.00 0.00 C ATOM 1670 CD ARG A 112 6.458 13.941 1.354 1.00 0.00 C ATOM 1671 NE ARG A 112 5.476 14.992 1.101 1.00 0.00 N ATOM 1672 CZ ARG A 112 4.741 15.558 2.054 1.00 0.00 C ATOM 1673 NH1 ARG A 112 4.878 15.178 3.317 1.00 0.00 N ATOM 1674 NH2 ARG A 112 3.869 16.507 1.744 1.00 0.00 N ATOM 0 H ARG A 112 4.189 9.624 2.008 1.00 0.00 H new ATOM 0 HA ARG A 112 6.728 10.876 2.759 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.084 11.695 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.804 12.821 2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.751 11.878 0.835 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.355 12.615 0.076 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.749 13.962 2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.357 14.137 0.770 1.00 0.00 H new ATOM 0 HE ARG A 112 5.347 15.309 0.140 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.549 14.449 3.560 1.00 0.00 H new ATOM 0 HH12 ARG A 112 4.313 15.614 4.045 1.00 0.00 H new ATOM 0 HH21 ARG A 112 3.761 16.804 0.774 1.00 0.00 H new ATOM 0 HH22 ARG A 112 3.306 16.941 2.475 1.00 0.00 H new ATOM 1688 N ASN A 113 5.567 9.933 5.107 1.00 0.00 N ATOM 1689 CA ASN A 113 5.296 9.930 6.538 1.00 0.00 C ATOM 1690 C ASN A 113 6.250 8.994 7.266 1.00 0.00 C ATOM 1691 O ASN A 113 6.993 9.411 8.155 1.00 0.00 O ATOM 1692 CB ASN A 113 3.850 9.512 6.806 1.00 0.00 C ATOM 1693 CG ASN A 113 3.020 10.639 7.390 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.289 11.815 7.146 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.003 10.283 8.167 1.00 0.00 N ATOM 0 H ASN A 113 5.971 9.066 4.752 1.00 0.00 H new ATOM 0 HA ASN A 113 5.448 10.942 6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.394 9.174 5.875 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.841 8.665 7.492 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.409 10.997 8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.816 9.296 8.342 1.00 0.00 H new ATOM 1702 N ARG A 114 6.209 7.724 6.890 1.00 0.00 N ATOM 1703 CA ARG A 114 7.055 6.716 7.512 1.00 0.00 C ATOM 1704 C ARG A 114 8.062 6.130 6.527 1.00 0.00 C ATOM 1705 O ARG A 114 8.773 5.179 6.851 1.00 0.00 O ATOM 1706 CB ARG A 114 6.187 5.600 8.082 1.00 0.00 C ATOM 1707 CG ARG A 114 5.777 5.822 9.529 1.00 0.00 C ATOM 1708 CD ARG A 114 4.499 6.640 9.626 1.00 0.00 C ATOM 1709 NE ARG A 114 4.277 7.151 10.975 1.00 0.00 N ATOM 1710 CZ ARG A 114 4.616 8.377 11.364 1.00 0.00 C ATOM 1711 NH1 ARG A 114 5.189 9.214 10.510 1.00 0.00 N ATOM 1712 NH2 ARG A 114 4.381 8.768 12.610 1.00 0.00 N ATOM 0 H ARG A 114 5.598 7.367 6.156 1.00 0.00 H new ATOM 0 HA ARG A 114 7.616 7.200 8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.290 5.501 7.471 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.728 4.657 8.008 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.632 4.859 10.019 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.579 6.333 10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.549 7.474 8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.651 6.024 9.328 1.00 0.00 H new ATOM 0 HE ARG A 114 3.837 6.534 11.658 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.371 8.919 9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.447 10.153 10.812 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.940 8.128 13.271 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.641 9.708 12.907 1.00 0.00 H new ATOM 1726 N CYS A 115 8.115 6.687 5.323 1.00 0.00 N ATOM 1727 CA CYS A 115 9.035 6.194 4.304 1.00 0.00 C ATOM 1728 C CYS A 115 10.117 7.218 3.977 1.00 0.00 C ATOM 1729 O CYS A 115 11.305 6.896 3.988 1.00 0.00 O ATOM 1730 CB CYS A 115 8.268 5.820 3.038 1.00 0.00 C ATOM 1731 SG CYS A 115 7.428 4.209 3.137 1.00 0.00 S ATOM 0 H CYS A 115 7.537 7.474 5.029 1.00 0.00 H new ATOM 0 HA CYS A 115 9.526 5.307 4.704 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.528 6.593 2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.960 5.807 2.196 1.00 0.00 H new ATOM 1736 N LYS A 116 9.703 8.445 3.680 1.00 0.00 N ATOM 1737 CA LYS A 116 10.646 9.507 3.344 1.00 0.00 C ATOM 1738 C LYS A 116 11.604 9.776 4.499 1.00 0.00 C ATOM 1739 O LYS A 116 11.317 10.587 5.380 1.00 0.00 O ATOM 1740 CB LYS A 116 9.893 10.788 2.980 1.00 0.00 C ATOM 1741 CG LYS A 116 10.759 11.825 2.283 1.00 0.00 C ATOM 1742 CD LYS A 116 9.926 12.986 1.766 1.00 0.00 C ATOM 1743 CE LYS A 116 10.801 14.171 1.387 1.00 0.00 C ATOM 1744 NZ LYS A 116 10.873 14.359 -0.089 1.00 0.00 N ATOM 0 H LYS A 116 8.723 8.729 3.665 1.00 0.00 H new ATOM 0 HA LYS A 116 11.231 9.179 2.484 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.053 10.535 2.334 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.476 11.225 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.513 12.197 2.977 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.291 11.359 1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.350 12.665 0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.210 13.290 2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.407 15.076 1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.805 14.022 1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.791 14.778 -0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.771 13.438 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.107 14.992 -0.396 1.00 0.00 H new ATOM 1758 N GLY A 117 12.745 9.093 4.487 1.00 0.00 N ATOM 1759 CA GLY A 117 13.728 9.279 5.536 1.00 0.00 C ATOM 1760 C GLY A 117 14.263 7.969 6.082 1.00 0.00 C ATOM 1761 O GLY A 117 15.015 7.961 7.057 1.00 0.00 O ATOM 0 H GLY A 117 13.005 8.415 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.557 9.871 5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.280 9.850 6.349 1.00 0.00 H new ATOM 1765 N THR A 118 13.884 6.858 5.456 1.00 0.00 N ATOM 1766 CA THR A 118 14.339 5.543 5.893 1.00 0.00 C ATOM 1767 C THR A 118 15.172 4.864 4.806 1.00 0.00 C ATOM 1768 O THR A 118 15.839 5.536 4.019 1.00 0.00 O ATOM 1769 CB THR A 118 13.150 4.635 6.263 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.274 4.490 5.139 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.378 5.209 7.442 1.00 0.00 C ATOM 0 H THR A 118 13.264 6.843 4.646 1.00 0.00 H new ATOM 0 HA THR A 118 14.957 5.694 6.778 1.00 0.00 H new ATOM 0 HB THR A 118 13.542 3.658 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.949 5.372 4.862 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.543 4.551 7.685 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.039 5.291 8.305 1.00 0.00 H new ATOM 0 HG23 THR A 118 11.998 6.197 7.182 1.00 0.00 H new ATOM 1779 N ASP A 119 15.135 3.533 4.768 1.00 0.00 N ATOM 1780 CA ASP A 119 15.892 2.780 3.775 1.00 0.00 C ATOM 1781 C ASP A 119 15.013 1.776 3.039 1.00 0.00 C ATOM 1782 O ASP A 119 14.785 0.663 3.514 1.00 0.00 O ATOM 1783 CB ASP A 119 17.051 2.069 4.427 1.00 0.00 C ATOM 1784 CG ASP A 119 18.233 1.903 3.491 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.163 1.035 2.596 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.228 2.640 3.654 1.00 0.00 O ATOM 0 H ASP A 119 14.591 2.958 5.411 1.00 0.00 H new ATOM 0 HA ASP A 119 16.272 3.493 3.043 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.366 2.627 5.309 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.724 1.088 4.771 1.00 0.00 H new ATOM 1791 N VAL A 120 14.530 2.181 1.872 1.00 0.00 N ATOM 1792 CA VAL A 120 13.679 1.334 1.049 1.00 0.00 C ATOM 1793 C VAL A 120 14.485 0.198 0.435 1.00 0.00 C ATOM 1794 O VAL A 120 13.990 -0.920 0.292 1.00 0.00 O ATOM 1795 CB VAL A 120 13.003 2.141 -0.075 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.032 3.157 0.507 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.046 2.829 -0.945 1.00 0.00 C ATOM 0 H VAL A 120 14.716 3.100 1.472 1.00 0.00 H new ATOM 0 HA VAL A 120 12.907 0.923 1.699 1.00 0.00 H new ATOM 0 HB VAL A 120 12.440 1.450 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.564 3.718 -0.302 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.264 2.639 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.571 3.843 1.160 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.547 3.394 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.640 3.507 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.698 2.079 -1.393 1.00 0.00 H new ATOM 1807 N GLN A 121 15.736 0.488 0.087 1.00 0.00 N ATOM 1808 CA GLN A 121 16.613 -0.517 -0.493 1.00 0.00 C ATOM 1809 C GLN A 121 16.773 -1.675 0.481 1.00 0.00 C ATOM 1810 O GLN A 121 17.088 -2.799 0.091 1.00 0.00 O ATOM 1811 CB GLN A 121 17.979 0.087 -0.823 1.00 0.00 C ATOM 1812 CG GLN A 121 17.910 1.240 -1.812 1.00 0.00 C ATOM 1813 CD GLN A 121 19.281 1.727 -2.236 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.142 2.003 -1.401 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.493 1.834 -3.544 1.00 0.00 N ATOM 0 H GLN A 121 16.161 1.409 0.197 1.00 0.00 H new ATOM 0 HA GLN A 121 16.168 -0.882 -1.419 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.445 0.437 0.098 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.623 -0.692 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.352 0.925 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.358 2.066 -1.364 1.00 0.00 H new ATOM 0 HE21 GLN A 121 18.751 1.595 -4.202 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.397 2.155 -3.889 1.00 0.00 H new ATOM 1824 N ALA A 122 16.536 -1.382 1.756 1.00 0.00 N ATOM 1825 CA ALA A 122 16.631 -2.383 2.806 1.00 0.00 C ATOM 1826 C ALA A 122 15.287 -3.071 3.013 1.00 0.00 C ATOM 1827 O ALA A 122 15.225 -4.186 3.531 1.00 0.00 O ATOM 1828 CB ALA A 122 17.109 -1.747 4.103 1.00 0.00 C ATOM 0 H ALA A 122 16.275 -0.453 2.085 1.00 0.00 H new ATOM 0 HA ALA A 122 17.358 -3.135 2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.175 -2.509 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.091 -1.300 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.404 -0.975 4.411 1.00 0.00 H new ATOM 1834 N TRP A 123 14.210 -2.399 2.603 1.00 0.00 N ATOM 1835 CA TRP A 123 12.867 -2.958 2.745 1.00 0.00 C ATOM 1836 C TRP A 123 12.726 -4.262 1.960 1.00 0.00 C ATOM 1837 O TRP A 123 11.794 -5.034 2.185 1.00 0.00 O ATOM 1838 CB TRP A 123 11.814 -1.952 2.275 1.00 0.00 C ATOM 1839 CG TRP A 123 11.319 -1.053 3.367 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.240 0.308 3.334 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.831 -1.450 4.655 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.736 0.778 4.522 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.478 -0.286 5.345 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.656 -2.677 5.292 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 9.966 -0.321 6.634 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.148 -2.709 6.571 1.00 0.00 C ATOM 1847 CH2 TRP A 123 9.807 -1.535 7.231 1.00 0.00 C ATOM 0 H TRP A 123 14.242 -1.474 2.173 1.00 0.00 H new ATOM 0 HA TRP A 123 12.708 -3.173 3.802 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.236 -1.342 1.476 1.00 0.00 H new ATOM 0 HB3 TRP A 123 10.969 -2.494 1.850 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.531 0.925 2.497 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.579 1.759 4.754 1.00 0.00 H new ATOM 0 HE3 TRP A 123 10.917 -3.595 4.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.701 0.590 7.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.013 -3.659 7.068 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.409 -1.586 8.234 1.00 0.00 H new ATOM 1858 N ILE A 124 13.661 -4.504 1.045 1.00 0.00 N ATOM 1859 CA ILE A 124 13.646 -5.718 0.236 1.00 0.00 C ATOM 1860 C ILE A 124 14.977 -6.455 0.343 1.00 0.00 C ATOM 1861 O ILE A 124 15.278 -7.341 -0.457 1.00 0.00 O ATOM 1862 CB ILE A 124 13.359 -5.412 -1.245 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.146 -4.182 -1.701 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.866 -5.209 -1.465 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.933 -4.407 -2.973 1.00 0.00 C ATOM 0 H ILE A 124 14.439 -3.875 0.846 1.00 0.00 H new ATOM 0 HA ILE A 124 12.845 -6.348 0.624 1.00 0.00 H new ATOM 0 HB ILE A 124 13.681 -6.264 -1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.454 -3.354 -1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 124 14.831 -3.884 -0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.679 -4.993 -2.517 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.330 -6.114 -1.179 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.519 -4.374 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.466 -3.494 -3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.649 -5.214 -2.820 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.251 -4.675 -3.780 1.00 0.00 H new ATOM 1877 N ARG A 125 15.767 -6.076 1.341 1.00 0.00 N ATOM 1878 CA ARG A 125 17.070 -6.691 1.569 1.00 0.00 C ATOM 1879 C ARG A 125 16.919 -8.147 1.998 1.00 0.00 C ATOM 1880 O ARG A 125 16.823 -8.447 3.189 1.00 0.00 O ATOM 1881 CB ARG A 125 17.846 -5.910 2.632 1.00 0.00 C ATOM 1882 CG ARG A 125 19.330 -5.778 2.328 1.00 0.00 C ATOM 1883 CD ARG A 125 20.014 -4.829 3.298 1.00 0.00 C ATOM 1884 NE ARG A 125 21.457 -5.042 3.346 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.313 -4.511 2.477 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.870 -3.736 1.496 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.611 -4.756 2.588 1.00 0.00 N ATOM 0 H ARG A 125 15.527 -5.343 2.008 1.00 0.00 H new ATOM 0 HA ARG A 125 17.625 -6.665 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.413 -4.914 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.724 -6.404 3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.802 -6.759 2.382 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.463 -5.416 1.308 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.809 -3.800 3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.594 -4.965 4.295 1.00 0.00 H new ATOM 0 HE ARG A 125 21.831 -5.632 4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.872 -3.546 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.528 -3.330 0.831 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.955 -5.352 3.341 1.00 0.00 H new ATOM 0 HH22 ARG A 125 24.266 -4.348 1.921 1.00 0.00 H new ATOM 1901 N GLY A 126 16.900 -9.049 1.021 1.00 0.00 N ATOM 1902 CA GLY A 126 16.763 -10.463 1.319 1.00 0.00 C ATOM 1903 C GLY A 126 15.705 -11.139 0.466 1.00 0.00 C ATOM 1904 O GLY A 126 15.547 -12.358 0.515 1.00 0.00 O ATOM 0 H GLY A 126 16.977 -8.826 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.721 -10.958 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.509 -10.586 2.372 1.00 0.00 H new ATOM 1908 N CYS A 127 14.980 -10.345 -0.314 1.00 0.00 N ATOM 1909 CA CYS A 127 13.932 -10.871 -1.177 1.00 0.00 C ATOM 1910 C CYS A 127 14.518 -11.576 -2.396 1.00 0.00 C ATOM 1911 O CYS A 127 15.735 -11.707 -2.523 1.00 0.00 O ATOM 1912 CB CYS A 127 13.006 -9.753 -1.613 1.00 0.00 C ATOM 1913 SG CYS A 127 11.582 -9.493 -0.509 1.00 0.00 S ATOM 0 H CYS A 127 15.100 -9.333 -0.366 1.00 0.00 H new ATOM 0 HA CYS A 127 13.363 -11.606 -0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.577 -8.827 -1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.639 -9.970 -2.616 1.00 0.00 H new ATOM 1918 N ARG A 128 13.643 -12.029 -3.287 1.00 0.00 N ATOM 1919 CA ARG A 128 14.072 -12.721 -4.496 1.00 0.00 C ATOM 1920 C ARG A 128 13.151 -12.394 -5.667 1.00 0.00 C ATOM 1921 O ARG A 128 12.016 -12.868 -5.728 1.00 0.00 O ATOM 1922 CB ARG A 128 14.101 -14.233 -4.262 1.00 0.00 C ATOM 1923 CG ARG A 128 14.926 -14.992 -5.290 1.00 0.00 C ATOM 1924 CD ARG A 128 14.383 -16.393 -5.515 1.00 0.00 C ATOM 1925 NE ARG A 128 14.457 -17.210 -4.306 1.00 0.00 N ATOM 1926 CZ ARG A 128 13.950 -18.436 -4.212 1.00 0.00 C ATOM 1927 NH1 ARG A 128 13.334 -18.984 -5.250 1.00 0.00 N ATOM 1928 NH2 ARG A 128 14.060 -19.113 -3.077 1.00 0.00 N ATOM 0 H ARG A 128 12.632 -11.929 -3.194 1.00 0.00 H new ATOM 0 HA ARG A 128 15.077 -12.379 -4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 128 14.503 -14.431 -3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.080 -14.614 -4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 128 14.927 -14.445 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.962 -15.051 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 128 13.347 -16.331 -5.848 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.946 -16.876 -6.314 1.00 0.00 H new ATOM 0 HE ARG A 128 14.924 -16.818 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.248 -18.465 -6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.946 -19.924 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 128 14.533 -18.693 -2.277 1.00 0.00 H new ATOM 0 HH22 ARG A 128 13.671 -20.053 -3.004 1.00 0.00 H new ATOM 1942 N LEU A 129 13.649 -11.582 -6.594 1.00 0.00 N ATOM 1943 CA LEU A 129 12.871 -11.191 -7.765 1.00 0.00 C ATOM 1944 C LEU A 129 13.771 -11.024 -8.985 1.00 0.00 C ATOM 1945 O LEU A 129 15.008 -11.101 -8.822 1.00 0.00 O ATOM 1946 CB LEU A 129 12.118 -9.888 -7.490 1.00 0.00 C ATOM 1947 CG LEU A 129 12.943 -8.796 -6.807 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.681 -7.446 -7.455 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.628 -8.744 -5.319 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.233 -10.819 -10.092 1.00 0.00 O ATOM 0 H LEU A 129 14.587 -11.182 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 129 12.151 -11.982 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.739 -9.499 -8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.252 -10.111 -6.867 1.00 0.00 H new ATOM 0 HG LEU A 129 13.999 -9.036 -6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.276 -6.681 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU A 129 12.955 -7.489 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.623 -7.198 -7.365 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.223 -7.962 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.569 -8.528 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.866 -9.705 -4.863 1.00 0.00 H new TER 1962 LEU A 129