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 15 HIS : no HD1:sc= -0.606 X(o=0.64,f=1.1) USER MOD Set 1.2: A 89 THR OG1 : rot 67:sc= 1.25 USER MOD Set 2.1: A 74 ASN : amide:sc= -2.92! C(o=-4.8!,f=-5.2!) USER MOD Set 2.2: A 77 ASN : amide:sc= -1.84 X(o=-4.8,f=-5.2) USER MOD Set 3.1: A 65 ASN : amide:sc= -0.0245 K(o=0.0014,f=-3!) USER MOD Set 3.2: A 72 SER OG : rot -166:sc= 0.0259 USER MOD Set 4.1: A 51 THR OG1 : rot 167:sc= 0.0489 USER MOD Set 4.2: A 53 TYR OH : rot 30:sc= 0.0961 USER MOD Set 5.1: A 40 THR OG1 : rot 105:sc= 1.36 USER MOD Set 5.2: A 41 GLN : amide:sc= 0.124 X(o=1.5,f=1.2) USER MOD Set 6.1: A 24 SER OG : rot -33:sc= 0.929 USER MOD Set 6.2: A 27 ASN :FLIP amide:sc= 0.817 F(o=-1.6,f=1.7) USER MOD Set 7.1: A 23 TYR OH : rot -91:sc= 0.0227 USER MOD Set 7.2: A 106 ASN : amide:sc= -0.302 X(o=-0.28,f=-0.037) 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 140:sc= -10.8! (180deg=-16.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.11 X(o=0.11,f=0) USER MOD Single : A 20 TYR OH : rot 30:sc= -0.0646 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -97:sc= -1.35! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 39 ASN : amide:sc= -1.74! K(o=-1.7!,f=-2.8) USER MOD Single : A 43 THR OG1 : rot -15:sc= 0.345! USER MOD Single : A 44 ASN : amide:sc= -0.0249 X(o=-0.025,f=-0.39) USER MOD Single : A 46 ASN : amide:sc= 0.00752 K(o=0.0075,f=-0.78) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -103:sc= 0.557 USER MOD Single : A 57 GLN : amide:sc= -3.1! C(o=-3.1!,f=-4.4!) USER MOD Single : A 59 ASN :FLIP amide:sc= -4.49! C(o=-8.2!,f=-4.5!) USER MOD Single : A 60 SER OG : rot -116:sc= 0.532 USER MOD Single : A 69 THR OG1 : rot 78:sc= 1.06 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -55:sc= 0.553 USER MOD Single : A 93 ASN : amide:sc= -0.0838 X(o=-0.084,f=-0.16) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 158:sc= -0.0288 (180deg=-0.167) USER MOD Single : A 100 SER OG : rot -22:sc= 0.183 USER MOD Single : A 103 ASN : amide:sc= -0.0602 K(o=-0.06,f=-0.9) USER MOD Single : A 105 MET CE :methyl -146:sc= -3.59 (180deg=-5.74!) USER MOD Single : A 113 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.4!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -58:sc= 0.691 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.976 -10.744 1.998 1.00 0.00 N ATOM 2 CA LYS A 1 -5.856 -11.364 1.244 1.00 0.00 C ATOM 3 C LYS A 1 -4.852 -10.313 0.785 1.00 0.00 C ATOM 4 O LYS A 1 -5.011 -9.710 -0.275 1.00 0.00 O ATOM 5 CB LYS A 1 -6.434 -12.106 0.036 1.00 0.00 C ATOM 6 CG LYS A 1 -6.318 -13.618 0.138 1.00 0.00 C ATOM 7 CD LYS A 1 -5.512 -14.194 -1.014 1.00 0.00 C ATOM 8 CE LYS A 1 -6.410 -14.622 -2.163 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.915 -16.011 -1.986 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.644 -11.483 2.298 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.602 -10.255 2.836 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.468 -10.060 1.389 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.327 -12.060 1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.484 -11.837 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.921 -11.771 -0.865 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.845 -13.885 1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.314 -14.061 0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.797 -13.451 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -4.935 -15.050 -0.664 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -7.254 -13.936 -2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.858 -14.553 -3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.523 -16.264 -2.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.111 -16.669 -1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.464 -16.071 -1.105 1.00 0.00 H new ATOM 25 N VAL A 2 -3.818 -10.098 1.592 1.00 0.00 N ATOM 26 CA VAL A 2 -2.784 -9.118 1.273 1.00 0.00 C ATOM 27 C VAL A 2 -1.660 -9.754 0.459 1.00 0.00 C ATOM 28 O VAL A 2 -1.340 -10.930 0.637 1.00 0.00 O ATOM 29 CB VAL A 2 -2.194 -8.493 2.558 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.955 -7.668 2.249 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.232 -7.635 3.262 1.00 0.00 C ATOM 0 H VAL A 2 -3.673 -10.590 2.474 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.254 -8.333 0.680 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.904 -9.309 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.563 -7.241 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.198 -8.306 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.215 -6.865 1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.797 -7.204 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.554 -6.834 2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.090 -8.250 3.531 1.00 0.00 H new ATOM 41 N PHE A 3 -1.046 -8.961 -0.416 1.00 0.00 N ATOM 42 CA PHE A 3 0.061 -9.428 -1.237 1.00 0.00 C ATOM 43 C PHE A 3 1.256 -9.805 -0.371 1.00 0.00 C ATOM 44 O PHE A 3 1.332 -9.442 0.803 1.00 0.00 O ATOM 45 CB PHE A 3 0.496 -8.331 -2.212 1.00 0.00 C ATOM 46 CG PHE A 3 -0.214 -8.357 -3.530 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.288 -9.096 -4.588 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.374 -7.628 -3.716 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.357 -9.108 -5.807 1.00 0.00 C ATOM 50 CE2 PHE A 3 -2.026 -7.638 -4.932 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.516 -8.379 -5.981 1.00 0.00 C ATOM 0 H PHE A 3 -1.301 -7.986 -0.573 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.281 -10.305 -1.787 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.332 -7.360 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.568 -8.423 -2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.194 -9.669 -4.457 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.774 -7.044 -2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 3 0.045 -9.688 -6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.934 -7.068 -5.064 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.023 -8.388 -6.935 1.00 0.00 H new ATOM 61 N GLY A 4 2.190 -10.519 -0.974 1.00 0.00 N ATOM 62 CA GLY A 4 3.390 -10.928 -0.273 1.00 0.00 C ATOM 63 C GLY A 4 4.507 -9.922 -0.458 1.00 0.00 C ATOM 64 O GLY A 4 4.511 -9.172 -1.433 1.00 0.00 O ATOM 0 H GLY A 4 2.139 -10.826 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.172 -11.041 0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.712 -11.903 -0.638 1.00 0.00 H new ATOM 68 N ARG A 5 5.452 -9.896 0.474 1.00 0.00 N ATOM 69 CA ARG A 5 6.568 -8.962 0.391 1.00 0.00 C ATOM 70 C ARG A 5 7.275 -9.087 -0.947 1.00 0.00 C ATOM 71 O ARG A 5 7.255 -8.158 -1.755 1.00 0.00 O ATOM 72 CB ARG A 5 7.554 -9.197 1.536 1.00 0.00 C ATOM 73 CG ARG A 5 7.222 -8.414 2.796 1.00 0.00 C ATOM 74 CD ARG A 5 8.478 -8.037 3.564 1.00 0.00 C ATOM 75 NE ARG A 5 9.118 -9.200 4.171 1.00 0.00 N ATOM 76 CZ ARG A 5 10.267 -9.717 3.745 1.00 0.00 C ATOM 77 NH1 ARG A 5 10.899 -9.176 2.713 1.00 0.00 N ATOM 78 NH2 ARG A 5 10.784 -10.776 4.351 1.00 0.00 N ATOM 0 H ARG A 5 5.468 -10.507 1.291 1.00 0.00 H new ATOM 0 HA ARG A 5 6.170 -7.951 0.478 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.574 -10.260 1.774 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.556 -8.926 1.203 1.00 0.00 H new ATOM 0 HG2 ARG A 5 6.672 -7.511 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.569 -9.009 3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.181 -7.547 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.225 -7.316 4.341 1.00 0.00 H new ATOM 0 HE ARG A 5 8.658 -9.641 4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.504 -8.361 2.243 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.780 -9.575 2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.301 -11.196 5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.665 -11.171 4.023 1.00 0.00 H new ATOM 92 N CYS A 6 7.894 -10.234 -1.188 1.00 0.00 N ATOM 93 CA CYS A 6 8.590 -10.448 -2.442 1.00 0.00 C ATOM 94 C CYS A 6 7.618 -10.838 -3.540 1.00 0.00 C ATOM 95 O CYS A 6 7.800 -10.458 -4.690 1.00 0.00 O ATOM 96 CB CYS A 6 9.669 -11.509 -2.300 1.00 0.00 C ATOM 97 SG CYS A 6 10.431 -11.582 -0.647 1.00 0.00 S ATOM 0 H CYS A 6 7.927 -11.020 -0.539 1.00 0.00 H new ATOM 0 HA CYS A 6 9.068 -9.507 -2.715 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.238 -12.483 -2.533 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.448 -11.320 -3.039 1.00 0.00 H new ATOM 102 N GLU A 7 6.574 -11.584 -3.184 1.00 0.00 N ATOM 103 CA GLU A 7 5.580 -11.986 -4.169 1.00 0.00 C ATOM 104 C GLU A 7 5.188 -10.765 -4.981 1.00 0.00 C ATOM 105 O GLU A 7 5.229 -10.773 -6.215 1.00 0.00 O ATOM 106 CB GLU A 7 4.352 -12.592 -3.486 1.00 0.00 C ATOM 107 CG GLU A 7 4.443 -14.097 -3.296 1.00 0.00 C ATOM 108 CD GLU A 7 5.266 -14.482 -2.083 1.00 0.00 C ATOM 109 OE1 GLU A 7 4.783 -14.283 -0.949 1.00 0.00 O ATOM 110 OE2 GLU A 7 6.395 -14.984 -2.267 1.00 0.00 O ATOM 0 H GLU A 7 6.398 -11.916 -2.236 1.00 0.00 H new ATOM 0 HA GLU A 7 6.001 -12.749 -4.824 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.217 -12.119 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.466 -12.362 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.439 -14.508 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.883 -14.546 -4.186 1.00 0.00 H new ATOM 117 N LEU A 8 4.844 -9.702 -4.269 1.00 0.00 N ATOM 118 CA LEU A 8 4.480 -8.455 -4.905 1.00 0.00 C ATOM 119 C LEU A 8 5.682 -7.859 -5.623 1.00 0.00 C ATOM 120 O LEU A 8 5.543 -7.362 -6.736 1.00 0.00 O ATOM 121 CB LEU A 8 3.939 -7.449 -3.884 1.00 0.00 C ATOM 122 CG LEU A 8 4.183 -5.977 -4.235 1.00 0.00 C ATOM 123 CD1 LEU A 8 3.312 -5.549 -5.407 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.926 -5.086 -3.031 1.00 0.00 C ATOM 0 H LEU A 8 4.811 -9.683 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 8 3.694 -8.668 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.866 -7.608 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.394 -7.656 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 8 5.228 -5.869 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.502 -4.501 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.547 -6.161 -6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.262 -5.678 -5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.105 -4.046 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.892 -5.203 -2.706 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.596 -5.369 -2.219 1.00 0.00 H new ATOM 136 N ALA A 9 6.867 -7.916 -4.993 1.00 0.00 N ATOM 137 CA ALA A 9 8.070 -7.363 -5.610 1.00 0.00 C ATOM 138 C ALA A 9 8.331 -7.989 -6.971 1.00 0.00 C ATOM 139 O ALA A 9 8.470 -7.280 -7.966 1.00 0.00 O ATOM 140 CB ALA A 9 9.273 -7.542 -4.702 1.00 0.00 C ATOM 0 H ALA A 9 7.011 -8.333 -4.073 1.00 0.00 H new ATOM 0 HA ALA A 9 7.905 -6.296 -5.758 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.157 -7.123 -5.182 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.095 -7.028 -3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.432 -8.604 -4.513 1.00 0.00 H new ATOM 146 N ALA A 10 8.384 -9.317 -7.017 1.00 0.00 N ATOM 147 CA ALA A 10 8.609 -10.020 -8.268 1.00 0.00 C ATOM 148 C ALA A 10 7.646 -9.503 -9.321 1.00 0.00 C ATOM 149 O ALA A 10 8.018 -9.298 -10.477 1.00 0.00 O ATOM 150 CB ALA A 10 8.439 -11.520 -8.076 1.00 0.00 C ATOM 0 H ALA A 10 8.274 -9.923 -6.204 1.00 0.00 H new ATOM 0 HA ALA A 10 9.631 -9.837 -8.601 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.611 -12.030 -9.024 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.157 -11.876 -7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.427 -11.730 -7.730 1.00 0.00 H new ATOM 156 N ALA A 11 6.402 -9.272 -8.904 1.00 0.00 N ATOM 157 CA ALA A 11 5.390 -8.754 -9.809 1.00 0.00 C ATOM 158 C ALA A 11 5.735 -7.345 -10.240 1.00 0.00 C ATOM 159 O ALA A 11 5.546 -6.964 -11.395 1.00 0.00 O ATOM 160 CB ALA A 11 4.014 -8.804 -9.162 1.00 0.00 C ATOM 0 H ALA A 11 6.077 -9.436 -7.951 1.00 0.00 H new ATOM 0 HA ALA A 11 5.367 -9.385 -10.698 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.271 -8.412 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.767 -9.836 -8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.017 -8.201 -8.254 1.00 0.00 H new ATOM 166 N MET A 12 6.248 -6.589 -9.297 1.00 0.00 N ATOM 167 CA MET A 12 6.648 -5.205 -9.540 1.00 0.00 C ATOM 168 C MET A 12 7.724 -5.143 -10.612 1.00 0.00 C ATOM 169 O MET A 12 7.614 -4.384 -11.575 1.00 0.00 O ATOM 170 CB MET A 12 7.180 -4.556 -8.263 1.00 0.00 C ATOM 171 CG MET A 12 6.325 -4.811 -7.036 1.00 0.00 C ATOM 172 SD MET A 12 6.526 -3.544 -5.773 1.00 0.00 S ATOM 173 CE MET A 12 6.087 -2.084 -6.707 1.00 0.00 C ATOM 0 H MET A 12 6.403 -6.906 -8.340 1.00 0.00 H new ATOM 0 HA MET A 12 5.765 -4.661 -9.875 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.188 -4.925 -8.073 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.259 -3.480 -8.421 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.277 -4.860 -7.332 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.583 -5.783 -6.614 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.491 -1.418 -6.083 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.994 -1.569 -7.024 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.508 -2.374 -7.584 1.00 0.00 H new ATOM 183 N LYS A 13 8.765 -5.953 -10.438 1.00 0.00 N ATOM 184 CA LYS A 13 9.864 -5.999 -11.391 1.00 0.00 C ATOM 185 C LYS A 13 9.319 -6.241 -12.787 1.00 0.00 C ATOM 186 O LYS A 13 9.749 -5.613 -13.756 1.00 0.00 O ATOM 187 CB LYS A 13 10.857 -7.098 -11.014 1.00 0.00 C ATOM 188 CG LYS A 13 12.302 -6.750 -11.333 1.00 0.00 C ATOM 189 CD LYS A 13 12.902 -7.726 -12.333 1.00 0.00 C ATOM 190 CE LYS A 13 13.110 -7.074 -13.690 1.00 0.00 C ATOM 191 NZ LYS A 13 14.546 -7.057 -14.083 1.00 0.00 N ATOM 0 H LYS A 13 8.868 -6.586 -9.645 1.00 0.00 H new ATOM 0 HA LYS A 13 10.388 -5.043 -11.371 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.769 -7.305 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.588 -8.014 -11.540 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.354 -5.738 -11.735 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.891 -6.759 -10.416 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.855 -8.095 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.245 -8.589 -12.440 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.534 -7.611 -14.443 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.728 -6.053 -13.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 14.646 -6.604 -15.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.093 -6.523 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.904 -8.032 -14.132 1.00 0.00 H new ATOM 205 N ARG A 14 8.360 -7.155 -12.878 1.00 0.00 N ATOM 206 CA ARG A 14 7.741 -7.480 -14.149 1.00 0.00 C ATOM 207 C ARG A 14 6.920 -6.300 -14.643 1.00 0.00 C ATOM 208 O ARG A 14 6.885 -6.014 -15.839 1.00 0.00 O ATOM 209 CB ARG A 14 6.854 -8.718 -14.011 1.00 0.00 C ATOM 210 CG ARG A 14 7.455 -9.970 -14.630 1.00 0.00 C ATOM 211 CD ARG A 14 6.599 -10.493 -15.772 1.00 0.00 C ATOM 212 NE ARG A 14 7.286 -11.527 -16.542 1.00 0.00 N ATOM 213 CZ ARG A 14 7.270 -12.817 -16.223 1.00 0.00 C ATOM 214 NH1 ARG A 14 6.605 -13.232 -15.154 1.00 0.00 N ATOM 215 NH2 ARG A 14 7.920 -13.695 -16.975 1.00 0.00 N ATOM 0 H ARG A 14 7.997 -7.682 -12.084 1.00 0.00 H new ATOM 0 HA ARG A 14 8.525 -7.696 -14.875 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.663 -8.902 -12.954 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.890 -8.518 -14.479 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.458 -9.750 -14.997 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.556 -10.742 -13.867 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.669 -10.897 -15.372 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.331 -9.668 -16.432 1.00 0.00 H new ATOM 0 HE ARG A 14 7.807 -11.243 -17.371 1.00 0.00 H new ATOM 0 HH11 ARG A 14 6.103 -12.560 -14.573 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.595 -14.223 -14.912 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.433 -13.380 -17.799 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.907 -14.685 -16.730 1.00 0.00 H new ATOM 229 N HIS A 15 6.233 -5.636 -13.717 1.00 0.00 N ATOM 230 CA HIS A 15 5.380 -4.509 -14.058 1.00 0.00 C ATOM 231 C HIS A 15 6.187 -3.246 -14.329 1.00 0.00 C ATOM 232 O HIS A 15 5.630 -2.245 -14.782 1.00 0.00 O ATOM 233 CB HIS A 15 4.393 -4.245 -12.922 1.00 0.00 C ATOM 234 CG HIS A 15 3.295 -5.259 -12.824 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.234 -5.132 -11.954 1.00 0.00 N ATOM 236 CD2 HIS A 15 3.096 -6.424 -13.489 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.431 -6.171 -12.085 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.930 -6.969 -13.011 1.00 0.00 N ATOM 0 H HIS A 15 6.253 -5.863 -12.723 1.00 0.00 H new ATOM 0 HA HIS A 15 4.843 -4.768 -14.971 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.938 -4.222 -11.978 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.951 -3.258 -13.059 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.735 -6.844 -14.252 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.520 -6.340 -11.529 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.516 -7.848 -13.321 1.00 0.00 H new ATOM 247 N GLY A 16 7.500 -3.290 -14.107 1.00 0.00 N ATOM 248 CA GLY A 16 8.328 -2.137 -14.396 1.00 0.00 C ATOM 249 C GLY A 16 8.329 -1.055 -13.333 1.00 0.00 C ATOM 250 O GLY A 16 8.632 0.095 -13.646 1.00 0.00 O ATOM 0 H GLY A 16 7.999 -4.098 -13.735 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.353 -2.475 -14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.995 -1.698 -15.337 1.00 0.00 H new ATOM 254 N LEU A 17 8.001 -1.378 -12.080 1.00 0.00 N ATOM 255 CA LEU A 17 7.997 -0.345 -11.051 1.00 0.00 C ATOM 256 C LEU A 17 9.412 -0.048 -10.593 1.00 0.00 C ATOM 257 O LEU A 17 9.669 0.943 -9.914 1.00 0.00 O ATOM 258 CB LEU A 17 7.116 -0.731 -9.857 1.00 0.00 C ATOM 259 CG LEU A 17 5.773 -1.403 -10.186 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.685 -0.897 -9.252 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.353 -1.167 -11.633 1.00 0.00 C ATOM 0 H LEU A 17 7.744 -2.313 -11.764 1.00 0.00 H new ATOM 0 HA LEU A 17 7.571 0.556 -11.493 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.686 -1.403 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.914 0.169 -9.276 1.00 0.00 H new ATOM 0 HG LEU A 17 5.909 -2.475 -10.046 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.740 -1.382 -9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.954 -1.128 -8.221 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.580 0.182 -9.367 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.399 -1.660 -11.820 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.250 -0.097 -11.812 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.110 -1.575 -12.303 1.00 0.00 H new ATOM 273 N ASP A 18 10.326 -0.903 -10.994 1.00 0.00 N ATOM 274 CA ASP A 18 11.734 -0.735 -10.651 1.00 0.00 C ATOM 275 C ASP A 18 12.344 0.365 -11.511 1.00 0.00 C ATOM 276 O ASP A 18 12.812 0.108 -12.621 1.00 0.00 O ATOM 277 CB ASP A 18 12.496 -2.050 -10.835 1.00 0.00 C ATOM 278 CG ASP A 18 13.998 -1.847 -10.899 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.585 -1.434 -9.878 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.586 -2.102 -11.971 1.00 0.00 O ATOM 0 H ASP A 18 10.126 -1.727 -11.561 1.00 0.00 H new ATOM 0 HA ASP A 18 11.810 -0.447 -9.602 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.258 -2.722 -10.011 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.159 -2.536 -11.750 1.00 0.00 H new ATOM 285 N ASN A 19 12.289 1.594 -10.995 1.00 0.00 N ATOM 286 CA ASN A 19 12.791 2.778 -11.698 1.00 0.00 C ATOM 287 C ASN A 19 11.715 3.317 -12.637 1.00 0.00 C ATOM 288 O ASN A 19 12.000 3.736 -13.760 1.00 0.00 O ATOM 289 CB ASN A 19 14.075 2.470 -12.476 1.00 0.00 C ATOM 290 CG ASN A 19 15.102 3.579 -12.360 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.177 3.389 -11.791 1.00 0.00 O ATOM 292 ND2 ASN A 19 14.774 4.748 -12.899 1.00 0.00 N ATOM 0 H ASN A 19 11.895 1.798 -10.077 1.00 0.00 H new ATOM 0 HA ASN A 19 13.034 3.537 -10.954 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.506 1.540 -12.106 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.831 2.313 -13.527 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.424 5.532 -12.851 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.872 4.861 -13.361 1.00 0.00 H new ATOM 299 N TYR A 20 10.471 3.287 -12.161 1.00 0.00 N ATOM 300 CA TYR A 20 9.330 3.757 -12.949 1.00 0.00 C ATOM 301 C TYR A 20 9.073 5.231 -12.691 1.00 0.00 C ATOM 302 O TYR A 20 8.912 5.649 -11.545 1.00 0.00 O ATOM 303 CB TYR A 20 8.078 2.943 -12.633 1.00 0.00 C ATOM 304 CG TYR A 20 6.979 3.122 -13.656 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.952 2.358 -14.816 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.973 4.061 -13.467 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.955 2.523 -15.758 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.970 4.231 -14.403 1.00 0.00 C ATOM 309 CZ TYR A 20 4.967 3.460 -15.547 1.00 0.00 C ATOM 310 OH TYR A 20 3.971 3.628 -16.482 1.00 0.00 O ATOM 0 H TYR A 20 10.226 2.942 -11.233 1.00 0.00 H new ATOM 0 HA TYR A 20 9.572 3.623 -14.003 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.343 1.887 -12.575 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.703 3.232 -11.651 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.724 1.622 -14.984 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.974 4.668 -12.574 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.950 1.921 -16.655 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.193 4.963 -14.240 1.00 0.00 H new ATOM 0 HH TYR A 20 3.808 2.779 -16.943 1.00 0.00 H new ATOM 320 N ARG A 21 9.063 6.022 -13.760 1.00 0.00 N ATOM 321 CA ARG A 21 8.864 7.458 -13.634 1.00 0.00 C ATOM 322 C ARG A 21 9.991 8.024 -12.786 1.00 0.00 C ATOM 323 O ARG A 21 9.906 9.129 -12.248 1.00 0.00 O ATOM 324 CB ARG A 21 7.506 7.773 -13.006 1.00 0.00 C ATOM 325 CG ARG A 21 6.559 8.496 -13.948 1.00 0.00 C ATOM 326 CD ARG A 21 7.004 9.929 -14.195 1.00 0.00 C ATOM 327 NE ARG A 21 6.705 10.368 -15.556 1.00 0.00 N ATOM 328 CZ ARG A 21 6.236 11.575 -15.856 1.00 0.00 C ATOM 329 NH1 ARG A 21 6.012 12.461 -14.894 1.00 0.00 N ATOM 330 NH2 ARG A 21 5.990 11.899 -17.118 1.00 0.00 N ATOM 0 H ARG A 21 9.190 5.693 -14.717 1.00 0.00 H new ATOM 0 HA ARG A 21 8.875 7.916 -14.623 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.041 6.843 -12.678 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.658 8.384 -12.116 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.509 7.961 -14.896 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.554 8.494 -13.527 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.509 10.590 -13.484 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.076 10.012 -14.014 1.00 0.00 H new ATOM 0 HE ARG A 21 6.865 9.711 -16.319 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.200 12.217 -13.922 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.652 13.387 -15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.161 11.221 -17.861 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.630 12.826 -17.346 1.00 0.00 H new ATOM 344 N GLY A 22 11.051 7.231 -12.694 1.00 0.00 N ATOM 345 CA GLY A 22 12.218 7.614 -11.934 1.00 0.00 C ATOM 346 C GLY A 22 12.226 7.059 -10.522 1.00 0.00 C ATOM 347 O GLY A 22 13.120 7.392 -9.742 1.00 0.00 O ATOM 0 H GLY A 22 11.120 6.317 -13.141 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.111 7.271 -12.456 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.273 8.702 -11.889 1.00 0.00 H new ATOM 351 N TYR A 23 11.249 6.216 -10.168 1.00 0.00 N ATOM 352 CA TYR A 23 11.220 5.664 -8.825 1.00 0.00 C ATOM 353 C TYR A 23 11.573 4.187 -8.808 1.00 0.00 C ATOM 354 O TYR A 23 10.982 3.384 -9.522 1.00 0.00 O ATOM 355 CB TYR A 23 9.864 5.916 -8.171 1.00 0.00 C ATOM 356 CG TYR A 23 9.768 7.293 -7.552 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.619 7.669 -6.520 1.00 0.00 C ATOM 358 CD2 TYR A 23 8.837 8.218 -8.005 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.543 8.928 -5.955 1.00 0.00 C ATOM 360 CE2 TYR A 23 8.756 9.479 -7.445 1.00 0.00 C ATOM 361 CZ TYR A 23 9.611 9.828 -6.421 1.00 0.00 C ATOM 362 OH TYR A 23 9.532 11.083 -5.862 1.00 0.00 O ATOM 0 H TYR A 23 10.491 5.912 -10.779 1.00 0.00 H new ATOM 0 HA TYR A 23 11.984 6.178 -8.242 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.077 5.800 -8.917 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.689 5.163 -7.403 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.352 6.966 -6.153 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.166 7.948 -8.807 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.211 9.204 -5.153 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.026 10.188 -7.808 1.00 0.00 H new ATOM 0 HH TYR A 23 8.895 11.070 -5.118 1.00 0.00 H new ATOM 372 N SER A 24 12.559 3.844 -7.983 1.00 0.00 N ATOM 373 CA SER A 24 13.018 2.472 -7.858 1.00 0.00 C ATOM 374 C SER A 24 12.043 1.643 -7.037 1.00 0.00 C ATOM 375 O SER A 24 11.230 2.178 -6.286 1.00 0.00 O ATOM 376 CB SER A 24 14.406 2.434 -7.215 1.00 0.00 C ATOM 377 OG SER A 24 14.350 2.830 -5.856 1.00 0.00 O ATOM 0 H SER A 24 13.056 4.507 -7.388 1.00 0.00 H new ATOM 0 HA SER A 24 13.075 2.043 -8.858 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.816 1.427 -7.287 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.081 3.093 -7.761 1.00 0.00 H new ATOM 0 HG SER A 24 13.648 3.504 -5.740 1.00 0.00 H new ATOM 383 N LEU A 25 12.143 0.332 -7.199 1.00 0.00 N ATOM 384 CA LEU A 25 11.288 -0.619 -6.498 1.00 0.00 C ATOM 385 C LEU A 25 11.059 -0.230 -5.037 1.00 0.00 C ATOM 386 O LEU A 25 9.917 -0.134 -4.587 1.00 0.00 O ATOM 387 CB LEU A 25 11.917 -2.008 -6.574 1.00 0.00 C ATOM 388 CG LEU A 25 11.273 -2.951 -7.584 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.240 -4.061 -7.967 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.988 -3.530 -7.018 1.00 0.00 C ATOM 0 H LEU A 25 12.822 -0.105 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 25 10.313 -0.615 -6.986 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.973 -1.899 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.867 -2.468 -5.587 1.00 0.00 H new ATOM 0 HG LEU A 25 11.029 -2.386 -8.484 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.764 -4.725 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.136 -3.626 -8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.514 -4.628 -7.077 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.538 -4.202 -7.749 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.209 -4.083 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.293 -2.721 -6.793 1.00 0.00 H new ATOM 402 N GLY A 26 12.149 -0.038 -4.299 1.00 0.00 N ATOM 403 CA GLY A 26 12.056 0.309 -2.887 1.00 0.00 C ATOM 404 C GLY A 26 11.015 1.371 -2.575 1.00 0.00 C ATOM 405 O GLY A 26 10.322 1.283 -1.562 1.00 0.00 O ATOM 0 H GLY A 26 13.102 -0.117 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.823 -0.591 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.030 0.659 -2.545 1.00 0.00 H new ATOM 409 N ASN A 27 10.907 2.380 -3.433 1.00 0.00 N ATOM 410 CA ASN A 27 9.946 3.462 -3.221 1.00 0.00 C ATOM 411 C ASN A 27 8.508 2.963 -3.342 1.00 0.00 C ATOM 412 O ASN A 27 7.608 3.455 -2.661 1.00 0.00 O ATOM 413 CB ASN A 27 10.191 4.590 -4.222 1.00 0.00 C ATOM 414 CG ASN A 27 11.604 5.136 -4.145 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.431 4.777 -5.119 1.00 0.00 O flip ATOM 416 ND2 ASN A 27 11.947 5.873 -3.220 1.00 0.00 N flip ATOM 0 H ASN A 27 11.469 2.473 -4.279 1.00 0.00 H new ATOM 0 HA ASN A 27 10.089 3.840 -2.209 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.000 4.224 -5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.482 5.397 -4.036 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.278 6.123 -2.492 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.900 6.233 -3.182 1.00 0.00 H new ATOM 423 N TRP A 28 8.302 1.990 -4.220 1.00 0.00 N ATOM 424 CA TRP A 28 6.980 1.419 -4.450 1.00 0.00 C ATOM 425 C TRP A 28 6.573 0.471 -3.337 1.00 0.00 C ATOM 426 O TRP A 28 5.397 0.402 -2.977 1.00 0.00 O ATOM 427 CB TRP A 28 6.959 0.716 -5.797 1.00 0.00 C ATOM 428 CG TRP A 28 7.373 1.630 -6.894 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.616 1.752 -7.422 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.548 2.577 -7.574 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.624 2.724 -8.387 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.366 3.246 -8.503 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.198 2.919 -7.484 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.882 4.247 -9.340 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.705 3.906 -8.311 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.547 4.566 -9.233 1.00 0.00 C ATOM 0 H TRP A 28 9.040 1.576 -4.789 1.00 0.00 H new ATOM 0 HA TRP A 28 6.252 2.230 -4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.625 -0.146 -5.769 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.956 0.338 -5.996 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.475 1.168 -7.125 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.437 3.012 -8.931 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.551 2.419 -6.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.527 4.752 -10.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.661 4.178 -8.253 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.135 5.337 -9.867 1.00 0.00 H new ATOM 447 N VAL A 29 7.534 -0.259 -2.783 1.00 0.00 N ATOM 448 CA VAL A 29 7.243 -1.191 -1.708 1.00 0.00 C ATOM 449 C VAL A 29 6.927 -0.452 -0.419 1.00 0.00 C ATOM 450 O VAL A 29 5.925 -0.733 0.236 1.00 0.00 O ATOM 451 CB VAL A 29 8.423 -2.153 -1.469 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.163 -3.043 -0.262 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.689 -2.987 -2.713 1.00 0.00 C ATOM 0 H VAL A 29 8.515 -0.222 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 29 6.371 -1.771 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 29 9.312 -1.559 -1.259 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.010 -3.713 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.031 -2.424 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.261 -3.631 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.525 -3.661 -2.527 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.801 -3.570 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.932 -2.329 -3.547 1.00 0.00 H new ATOM 463 N CYS A 30 7.787 0.488 -0.054 1.00 0.00 N ATOM 464 CA CYS A 30 7.593 1.261 1.163 1.00 0.00 C ATOM 465 C CYS A 30 6.281 2.037 1.115 1.00 0.00 C ATOM 466 O CYS A 30 5.520 2.041 2.084 1.00 0.00 O ATOM 467 CB CYS A 30 8.761 2.224 1.375 1.00 0.00 C ATOM 468 SG CYS A 30 8.830 2.942 3.047 1.00 0.00 S ATOM 0 H CYS A 30 8.624 0.733 -0.582 1.00 0.00 H new ATOM 0 HA CYS A 30 7.550 0.564 2.000 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.694 1.697 1.178 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.691 3.031 0.646 1.00 0.00 H new ATOM 473 N ALA A 31 6.018 2.697 -0.011 1.00 0.00 N ATOM 474 CA ALA A 31 4.799 3.477 -0.170 1.00 0.00 C ATOM 475 C ALA A 31 3.563 2.596 -0.058 1.00 0.00 C ATOM 476 O ALA A 31 2.607 2.940 0.633 1.00 0.00 O ATOM 477 CB ALA A 31 4.810 4.202 -1.506 1.00 0.00 C ATOM 0 H ALA A 31 6.634 2.705 -0.824 1.00 0.00 H new ATOM 0 HA ALA A 31 4.762 4.213 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.893 4.782 -1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.669 4.871 -1.550 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.875 3.474 -2.315 1.00 0.00 H new ATOM 483 N ALA A 32 3.589 1.461 -0.747 1.00 0.00 N ATOM 484 CA ALA A 32 2.466 0.532 -0.731 1.00 0.00 C ATOM 485 C ALA A 32 2.284 -0.102 0.644 1.00 0.00 C ATOM 486 O ALA A 32 1.161 -0.237 1.128 1.00 0.00 O ATOM 487 CB ALA A 32 2.660 -0.542 -1.792 1.00 0.00 C ATOM 0 H ALA A 32 4.376 1.162 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 32 1.560 1.095 -0.956 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.815 -1.231 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.724 -0.075 -2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.580 -1.090 -1.591 1.00 0.00 H new ATOM 493 N LYS A 33 3.391 -0.503 1.263 1.00 0.00 N ATOM 494 CA LYS A 33 3.355 -1.138 2.577 1.00 0.00 C ATOM 495 C LYS A 33 2.547 -0.321 3.578 1.00 0.00 C ATOM 496 O LYS A 33 1.616 -0.828 4.196 1.00 0.00 O ATOM 497 CB LYS A 33 4.776 -1.333 3.107 1.00 0.00 C ATOM 498 CG LYS A 33 4.878 -2.379 4.207 1.00 0.00 C ATOM 499 CD LYS A 33 6.314 -2.559 4.672 1.00 0.00 C ATOM 500 CE LYS A 33 6.378 -3.258 6.020 1.00 0.00 C ATOM 501 NZ LYS A 33 6.602 -4.723 5.877 1.00 0.00 N ATOM 0 H LYS A 33 4.328 -0.399 0.874 1.00 0.00 H new ATOM 0 HA LYS A 33 2.869 -2.106 2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.426 -1.622 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.147 -0.381 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.255 -2.083 5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.490 -3.330 3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.867 -3.139 3.933 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.800 -1.586 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.181 -2.825 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.449 -3.084 6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.639 -5.162 6.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.822 -5.142 5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.501 -4.890 5.381 1.00 0.00 H new ATOM 515 N PHE A 34 2.919 0.934 3.758 1.00 0.00 N ATOM 516 CA PHE A 34 2.222 1.785 4.709 1.00 0.00 C ATOM 517 C PHE A 34 0.878 2.253 4.182 1.00 0.00 C ATOM 518 O PHE A 34 -0.043 2.510 4.957 1.00 0.00 O ATOM 519 CB PHE A 34 3.085 2.969 5.099 1.00 0.00 C ATOM 520 CG PHE A 34 3.939 2.718 6.309 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.413 2.854 7.584 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.266 2.345 6.171 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.196 2.622 8.699 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.054 2.111 7.283 1.00 0.00 C ATOM 525 CZ PHE A 34 5.517 2.250 8.548 1.00 0.00 C ATOM 0 H PHE A 34 3.691 1.384 3.265 1.00 0.00 H new ATOM 0 HA PHE A 34 2.028 1.183 5.597 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.728 3.232 4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.443 3.829 5.290 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.380 3.144 7.708 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.690 2.236 5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.775 2.732 9.687 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.087 1.820 7.163 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.130 2.068 9.418 1.00 0.00 H new ATOM 535 N GLU A 35 0.764 2.370 2.870 1.00 0.00 N ATOM 536 CA GLU A 35 -0.474 2.814 2.251 1.00 0.00 C ATOM 537 C GLU A 35 -1.615 1.835 2.503 1.00 0.00 C ATOM 538 O GLU A 35 -2.689 2.221 2.965 1.00 0.00 O ATOM 539 CB GLU A 35 -0.266 2.964 0.744 1.00 0.00 C ATOM 540 CG GLU A 35 -0.080 4.401 0.290 1.00 0.00 C ATOM 541 CD GLU A 35 0.600 4.498 -1.061 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.052 4.182 -2.078 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.787 4.887 -1.102 1.00 0.00 O ATOM 0 H GLU A 35 1.515 2.163 2.211 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.744 3.772 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.608 2.383 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.124 2.537 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.052 4.892 0.240 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.511 4.939 1.031 1.00 0.00 H new ATOM 550 N SER A 36 -1.392 0.578 2.138 1.00 0.00 N ATOM 551 CA SER A 36 -2.427 -0.446 2.264 1.00 0.00 C ATOM 552 C SER A 36 -1.911 -1.739 2.885 1.00 0.00 C ATOM 553 O SER A 36 -2.664 -2.706 3.010 1.00 0.00 O ATOM 554 CB SER A 36 -2.995 -0.753 0.876 1.00 0.00 C ATOM 555 OG SER A 36 -1.977 -1.223 0.009 1.00 0.00 O ATOM 0 H SER A 36 -0.509 0.242 1.754 1.00 0.00 H new ATOM 0 HA SER A 36 -3.195 -0.051 2.929 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.783 -1.501 0.958 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.450 0.145 0.457 1.00 0.00 H new ATOM 0 HG SER A 36 -1.640 -0.479 -0.533 1.00 0.00 H new ATOM 561 N ASN A 37 -0.636 -1.775 3.247 1.00 0.00 N ATOM 562 CA ASN A 37 -0.054 -2.983 3.824 1.00 0.00 C ATOM 563 C ASN A 37 -0.155 -4.123 2.820 1.00 0.00 C ATOM 564 O ASN A 37 -0.212 -5.287 3.192 1.00 0.00 O ATOM 565 CB ASN A 37 -0.762 -3.358 5.129 1.00 0.00 C ATOM 566 CG ASN A 37 0.212 -3.616 6.262 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.213 -4.313 6.089 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.076 -3.056 7.430 1.00 0.00 N ATOM 0 H ASN A 37 0.011 -0.992 3.154 1.00 0.00 H new ATOM 0 HA ASN A 37 0.995 -2.795 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.442 -2.555 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.370 -4.248 4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.543 -3.196 8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.916 -2.486 7.529 1.00 0.00 H new ATOM 575 N PHE A 38 -0.167 -3.744 1.544 1.00 0.00 N ATOM 576 CA PHE A 38 -0.255 -4.667 0.422 1.00 0.00 C ATOM 577 C PHE A 38 -1.605 -5.361 0.380 1.00 0.00 C ATOM 578 O PHE A 38 -1.748 -6.419 -0.226 1.00 0.00 O ATOM 579 CB PHE A 38 0.895 -5.678 0.450 1.00 0.00 C ATOM 580 CG PHE A 38 2.241 -5.024 0.592 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.572 -3.928 -0.190 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.168 -5.495 1.506 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.803 -3.314 -0.064 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.402 -4.885 1.635 1.00 0.00 C ATOM 585 CZ PHE A 38 4.720 -3.794 0.850 1.00 0.00 C ATOM 0 H PHE A 38 -0.115 -2.766 1.259 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.161 -4.085 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.744 -6.371 1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.877 -6.267 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.858 -3.549 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.925 -6.347 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.048 -2.461 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.118 -5.262 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.684 -3.317 0.951 1.00 0.00 H new ATOM 595 N ASN A 39 -2.611 -4.744 0.989 1.00 0.00 N ATOM 596 CA ASN A 39 -3.952 -5.306 0.979 1.00 0.00 C ATOM 597 C ASN A 39 -4.623 -4.974 -0.343 1.00 0.00 C ATOM 598 O ASN A 39 -4.844 -3.806 -0.668 1.00 0.00 O ATOM 599 CB ASN A 39 -4.774 -4.780 2.156 1.00 0.00 C ATOM 600 CG ASN A 39 -6.116 -5.475 2.285 1.00 0.00 C ATOM 601 OD1 ASN A 39 -7.114 -4.859 2.658 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.146 -6.767 1.980 1.00 0.00 N ATOM 0 H ASN A 39 -2.523 -3.861 1.492 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.887 -6.389 1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.209 -4.914 3.078 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.934 -3.709 2.033 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.020 -7.288 2.051 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.295 -7.239 1.675 1.00 0.00 H new ATOM 609 N THR A 40 -4.898 -6.007 -1.119 1.00 0.00 N ATOM 610 CA THR A 40 -5.491 -5.846 -2.433 1.00 0.00 C ATOM 611 C THR A 40 -6.873 -5.244 -2.321 1.00 0.00 C ATOM 612 O THR A 40 -7.436 -4.746 -3.295 1.00 0.00 O ATOM 613 CB THR A 40 -5.585 -7.198 -3.166 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.856 -7.808 -2.912 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.482 -8.141 -2.715 1.00 0.00 C ATOM 0 H THR A 40 -4.717 -6.976 -0.857 1.00 0.00 H new ATOM 0 HA THR A 40 -4.848 -5.177 -3.005 1.00 0.00 H new ATOM 0 HB THR A 40 -5.472 -7.008 -4.233 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.423 -7.727 -3.707 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.572 -9.088 -3.248 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.511 -7.694 -2.930 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.571 -8.318 -1.643 1.00 0.00 H new ATOM 623 N GLN A 41 -7.425 -5.329 -1.125 1.00 0.00 N ATOM 624 CA GLN A 41 -8.757 -4.836 -0.854 1.00 0.00 C ATOM 625 C GLN A 41 -8.761 -3.643 0.107 1.00 0.00 C ATOM 626 O GLN A 41 -9.824 -3.171 0.508 1.00 0.00 O ATOM 627 CB GLN A 41 -9.565 -5.984 -0.266 1.00 0.00 C ATOM 628 CG GLN A 41 -10.345 -6.781 -1.298 1.00 0.00 C ATOM 629 CD GLN A 41 -10.249 -8.277 -1.072 1.00 0.00 C ATOM 630 OE1 GLN A 41 -10.883 -8.822 -0.169 1.00 0.00 O ATOM 631 NE2 GLN A 41 -9.452 -8.950 -1.895 1.00 0.00 N ATOM 0 H GLN A 41 -6.961 -5.742 -0.316 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.194 -4.479 -1.786 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.890 -6.656 0.263 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.261 -5.585 0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.392 -6.479 -1.269 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.972 -6.543 -2.294 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.945 -8.457 -2.630 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.347 -9.959 -1.792 1.00 0.00 H new ATOM 640 N ALA A 42 -7.577 -3.174 0.491 1.00 0.00 N ATOM 641 CA ALA A 42 -7.465 -2.054 1.425 1.00 0.00 C ATOM 642 C ALA A 42 -8.083 -0.767 0.889 1.00 0.00 C ATOM 643 O ALA A 42 -7.733 -0.291 -0.195 1.00 0.00 O ATOM 644 CB ALA A 42 -6.011 -1.806 1.781 1.00 0.00 C ATOM 0 H ALA A 42 -6.684 -3.549 0.172 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.026 -2.339 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.944 -0.970 2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.593 -2.699 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.450 -1.571 0.877 1.00 0.00 H new ATOM 650 N THR A 43 -8.988 -0.201 1.683 1.00 0.00 N ATOM 651 CA THR A 43 -9.658 1.047 1.343 1.00 0.00 C ATOM 652 C THR A 43 -9.432 2.069 2.458 1.00 0.00 C ATOM 653 O THR A 43 -9.591 1.746 3.636 1.00 0.00 O ATOM 654 CB THR A 43 -11.174 0.840 1.156 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.854 1.025 2.403 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.470 -0.551 0.615 1.00 0.00 C ATOM 0 H THR A 43 -9.276 -0.595 2.579 1.00 0.00 H new ATOM 0 HA THR A 43 -9.238 1.407 0.404 1.00 0.00 H new ATOM 0 HB THR A 43 -11.530 1.577 0.436 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.203 1.010 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.546 -0.672 0.492 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.978 -0.679 -0.349 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.098 -1.300 1.314 1.00 0.00 H new ATOM 664 N ASN A 44 -9.052 3.293 2.100 1.00 0.00 N ATOM 665 CA ASN A 44 -8.803 4.331 3.102 1.00 0.00 C ATOM 666 C ASN A 44 -9.444 5.656 2.702 1.00 0.00 C ATOM 667 O ASN A 44 -9.019 6.297 1.742 1.00 0.00 O ATOM 668 CB ASN A 44 -7.299 4.519 3.304 1.00 0.00 C ATOM 669 CG ASN A 44 -6.967 5.117 4.657 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.487 4.681 5.684 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.098 6.119 4.664 1.00 0.00 N ATOM 0 H ASN A 44 -8.910 3.590 1.135 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.255 4.006 4.039 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.799 3.556 3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.908 5.165 2.518 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.836 6.561 5.545 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.692 6.448 3.788 1.00 0.00 H new ATOM 678 N ARG A 45 -10.467 6.063 3.448 1.00 0.00 N ATOM 679 CA ARG A 45 -11.169 7.313 3.171 1.00 0.00 C ATOM 680 C ARG A 45 -10.401 8.515 3.717 1.00 0.00 C ATOM 681 O ARG A 45 -10.089 8.577 4.906 1.00 0.00 O ATOM 682 CB ARG A 45 -12.574 7.280 3.779 1.00 0.00 C ATOM 683 CG ARG A 45 -13.268 5.935 3.637 1.00 0.00 C ATOM 684 CD ARG A 45 -14.781 6.087 3.643 1.00 0.00 C ATOM 685 NE ARG A 45 -15.284 6.611 2.375 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.389 7.341 2.265 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.105 7.634 3.343 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.780 7.780 1.077 1.00 0.00 N ATOM 0 H ARG A 45 -10.829 5.546 4.249 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.245 7.417 2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -12.509 7.536 4.837 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.185 8.047 3.302 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -12.953 5.457 2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.964 5.279 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.242 5.120 3.844 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.075 6.754 4.453 1.00 0.00 H new ATOM 0 HE ARG A 45 -14.757 6.405 1.526 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.808 7.299 4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.953 8.195 3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.233 7.558 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.628 8.340 0.994 1.00 0.00 H new ATOM 702 N ASN A 46 -10.104 9.468 2.837 1.00 0.00 N ATOM 703 CA ASN A 46 -9.379 10.674 3.225 1.00 0.00 C ATOM 704 C ASN A 46 -10.333 11.735 3.755 1.00 0.00 C ATOM 705 O ASN A 46 -11.544 11.525 3.814 1.00 0.00 O ATOM 706 CB ASN A 46 -8.596 11.228 2.033 1.00 0.00 C ATOM 707 CG ASN A 46 -7.891 10.139 1.247 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.456 9.566 0.314 1.00 0.00 O ATOM 709 ND2 ASN A 46 -6.651 9.846 1.621 1.00 0.00 N ATOM 0 H ASN A 46 -10.355 9.428 1.849 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.682 10.408 4.019 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.277 11.766 1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.861 11.950 2.389 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.128 9.121 1.130 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.222 10.346 2.400 1.00 0.00 H new ATOM 716 N THR A 47 -9.774 12.875 4.143 1.00 0.00 N ATOM 717 CA THR A 47 -10.568 13.976 4.677 1.00 0.00 C ATOM 718 C THR A 47 -10.793 15.066 3.632 1.00 0.00 C ATOM 719 O THR A 47 -11.233 16.168 3.959 1.00 0.00 O ATOM 720 CB THR A 47 -9.898 14.601 5.914 1.00 0.00 C ATOM 721 OG1 THR A 47 -8.560 15.002 5.598 1.00 0.00 O ATOM 722 CG2 THR A 47 -9.877 13.616 7.073 1.00 0.00 C ATOM 0 H THR A 47 -8.772 13.062 4.098 1.00 0.00 H new ATOM 0 HA THR A 47 -11.531 13.553 4.963 1.00 0.00 H new ATOM 0 HB THR A 47 -10.478 15.475 6.210 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.142 15.400 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.399 14.080 7.936 1.00 0.00 H new ATOM 0 HG22 THR A 47 -10.898 13.336 7.331 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.319 12.726 6.784 1.00 0.00 H new ATOM 730 N ASP A 48 -10.491 14.755 2.374 1.00 0.00 N ATOM 731 CA ASP A 48 -10.666 15.715 1.288 1.00 0.00 C ATOM 732 C ASP A 48 -11.845 15.327 0.401 1.00 0.00 C ATOM 733 O ASP A 48 -12.165 16.021 -0.565 1.00 0.00 O ATOM 734 CB ASP A 48 -9.389 15.811 0.451 1.00 0.00 C ATOM 735 CG ASP A 48 -9.181 14.596 -0.432 1.00 0.00 C ATOM 736 OD1 ASP A 48 -8.597 13.603 0.053 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.599 14.637 -1.607 1.00 0.00 O ATOM 0 H ASP A 48 -10.125 13.849 2.082 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.875 16.690 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.432 16.705 -0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.531 15.925 1.114 1.00 0.00 H new ATOM 742 N GLY A 49 -12.486 14.213 0.738 1.00 0.00 N ATOM 743 CA GLY A 49 -13.623 13.745 -0.034 1.00 0.00 C ATOM 744 C GLY A 49 -13.241 12.672 -1.034 1.00 0.00 C ATOM 745 O GLY A 49 -13.580 12.761 -2.215 1.00 0.00 O ATOM 0 H GLY A 49 -12.238 13.625 1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.382 13.353 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.071 14.587 -0.562 1.00 0.00 H new ATOM 749 N SER A 50 -12.534 11.655 -0.557 1.00 0.00 N ATOM 750 CA SER A 50 -12.101 10.556 -1.414 1.00 0.00 C ATOM 751 C SER A 50 -11.699 9.338 -0.592 1.00 0.00 C ATOM 752 O SER A 50 -11.836 9.326 0.630 1.00 0.00 O ATOM 753 CB SER A 50 -10.932 10.997 -2.296 1.00 0.00 C ATOM 754 OG SER A 50 -10.157 11.995 -1.656 1.00 0.00 O ATOM 0 H SER A 50 -12.248 11.567 0.418 1.00 0.00 H new ATOM 0 HA SER A 50 -12.943 10.277 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.303 10.137 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.312 11.379 -3.244 1.00 0.00 H new ATOM 0 HG SER A 50 -10.374 12.872 -2.036 1.00 0.00 H new ATOM 760 N THR A 51 -11.208 8.314 -1.280 1.00 0.00 N ATOM 761 CA THR A 51 -10.790 7.081 -0.626 1.00 0.00 C ATOM 762 C THR A 51 -9.578 6.469 -1.321 1.00 0.00 C ATOM 763 O THR A 51 -9.160 6.928 -2.383 1.00 0.00 O ATOM 764 CB THR A 51 -11.932 6.052 -0.604 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.196 6.722 -0.520 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.785 5.094 0.568 1.00 0.00 C ATOM 0 H THR A 51 -11.090 8.314 -2.293 1.00 0.00 H new ATOM 0 HA THR A 51 -10.520 7.339 0.398 1.00 0.00 H new ATOM 0 HB THR A 51 -11.884 5.477 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.917 6.085 -0.708 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.607 4.378 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.838 4.561 0.486 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.805 5.656 1.502 1.00 0.00 H new ATOM 774 N ASP A 52 -9.018 5.432 -0.709 1.00 0.00 N ATOM 775 CA ASP A 52 -7.852 4.745 -1.254 1.00 0.00 C ATOM 776 C ASP A 52 -8.148 3.274 -1.465 1.00 0.00 C ATOM 777 O ASP A 52 -7.857 2.441 -0.607 1.00 0.00 O ATOM 778 CB ASP A 52 -6.657 4.913 -0.317 1.00 0.00 C ATOM 779 CG ASP A 52 -6.321 6.369 -0.062 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.101 7.108 -1.046 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.278 6.771 1.119 1.00 0.00 O ATOM 0 H ASP A 52 -9.356 5.046 0.172 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.610 5.189 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.871 4.421 0.632 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.789 4.413 -0.747 1.00 0.00 H new ATOM 786 N TYR A 53 -8.723 2.958 -2.619 1.00 0.00 N ATOM 787 CA TYR A 53 -9.050 1.583 -2.942 1.00 0.00 C ATOM 788 C TYR A 53 -7.960 0.953 -3.795 1.00 0.00 C ATOM 789 O TYR A 53 -8.068 0.918 -5.019 1.00 0.00 O ATOM 790 CB TYR A 53 -10.379 1.492 -3.699 1.00 0.00 C ATOM 791 CG TYR A 53 -11.542 2.198 -3.039 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.155 1.664 -1.915 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.039 3.387 -3.556 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.230 2.297 -1.320 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.115 4.024 -2.970 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.706 3.475 -1.851 1.00 0.00 C ATOM 797 OH TYR A 53 -14.779 4.107 -1.265 1.00 0.00 O ATOM 0 H TYR A 53 -8.970 3.635 -3.341 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.135 1.045 -1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.240 1.908 -4.697 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.636 0.440 -3.825 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.786 0.739 -1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.577 3.821 -4.430 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.694 1.870 -0.443 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.492 4.947 -3.386 1.00 0.00 H new ATOM 0 HH TYR A 53 -14.786 3.917 -0.304 1.00 0.00 H new ATOM 807 N GLY A 54 -6.892 0.480 -3.174 1.00 0.00 N ATOM 808 CA GLY A 54 -5.824 -0.127 -3.945 1.00 0.00 C ATOM 809 C GLY A 54 -4.563 -0.321 -3.135 1.00 0.00 C ATOM 810 O GLY A 54 -4.382 0.323 -2.101 1.00 0.00 O ATOM 0 H GLY A 54 -6.744 0.503 -2.165 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.159 -1.092 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.604 0.499 -4.810 1.00 0.00 H new ATOM 814 N ILE A 55 -3.670 -1.186 -3.611 1.00 0.00 N ATOM 815 CA ILE A 55 -2.412 -1.414 -2.919 1.00 0.00 C ATOM 816 C ILE A 55 -1.591 -0.135 -2.977 1.00 0.00 C ATOM 817 O ILE A 55 -0.820 0.173 -2.069 1.00 0.00 O ATOM 818 CB ILE A 55 -1.611 -2.580 -3.537 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.411 -2.929 -2.653 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.151 -2.221 -4.939 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.228 -4.258 -2.997 1.00 0.00 C ATOM 0 H ILE A 55 -3.795 -1.733 -4.463 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.630 -1.688 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.260 -3.453 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.337 -2.141 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.731 -2.948 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.588 -3.053 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.019 -2.015 -5.565 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.516 -1.336 -4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.071 -4.440 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.506 -5.056 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.579 -4.237 -4.029 1.00 0.00 H new ATOM 833 N LEU A 56 -1.810 0.625 -4.049 1.00 0.00 N ATOM 834 CA LEU A 56 -1.145 1.903 -4.236 1.00 0.00 C ATOM 835 C LEU A 56 -2.140 3.021 -3.940 1.00 0.00 C ATOM 836 O LEU A 56 -1.859 4.192 -4.180 1.00 0.00 O ATOM 837 CB LEU A 56 -0.588 2.049 -5.667 1.00 0.00 C ATOM 838 CG LEU A 56 0.943 2.211 -5.779 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.489 3.024 -4.614 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.612 0.846 -5.835 1.00 0.00 C ATOM 0 H LEU A 56 -2.448 0.371 -4.803 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.298 1.962 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.885 1.173 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.061 2.913 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 56 1.165 2.749 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.570 3.124 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.031 4.013 -4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.258 2.517 -3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.692 0.973 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.378 0.288 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.247 0.297 -6.703 1.00 0.00 H new ATOM 852 N GLN A 57 -3.310 2.638 -3.406 1.00 0.00 N ATOM 853 CA GLN A 57 -4.369 3.586 -3.052 1.00 0.00 C ATOM 854 C GLN A 57 -5.030 4.192 -4.286 1.00 0.00 C ATOM 855 O GLN A 57 -4.740 5.333 -4.648 1.00 0.00 O ATOM 856 CB GLN A 57 -3.811 4.698 -2.159 1.00 0.00 C ATOM 857 CG GLN A 57 -3.307 4.202 -0.815 1.00 0.00 C ATOM 858 CD GLN A 57 -3.331 5.280 0.252 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.887 6.405 0.024 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.854 4.940 1.425 1.00 0.00 N ATOM 0 H GLN A 57 -3.545 1.665 -3.209 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.132 3.031 -2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.995 5.198 -2.682 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.588 5.444 -1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.919 3.361 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.288 3.830 -0.928 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.210 3.995 1.570 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.899 5.624 2.181 1.00 0.00 H new ATOM 869 N ILE A 58 -5.910 3.432 -4.947 1.00 0.00 N ATOM 870 CA ILE A 58 -6.567 3.932 -6.136 1.00 0.00 C ATOM 871 C ILE A 58 -7.853 4.649 -5.772 1.00 0.00 C ATOM 872 O ILE A 58 -8.903 4.027 -5.597 1.00 0.00 O ATOM 873 CB ILE A 58 -6.859 2.799 -7.143 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.552 2.307 -7.773 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.819 3.276 -8.224 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.685 1.501 -6.829 1.00 0.00 C ATOM 0 H ILE A 58 -6.174 2.485 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.888 4.639 -6.613 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.328 1.972 -6.609 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.787 1.698 -8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.984 3.167 -8.128 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.012 2.463 -8.924 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.756 3.590 -7.765 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.377 4.117 -8.758 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.778 1.188 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.419 2.113 -5.967 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.233 0.621 -6.493 1.00 0.00 H new ATOM 888 N ASN A 59 -7.759 5.965 -5.660 1.00 0.00 N ATOM 889 CA ASN A 59 -8.911 6.777 -5.329 1.00 0.00 C ATOM 890 C ASN A 59 -9.960 6.618 -6.414 1.00 0.00 C ATOM 891 O ASN A 59 -9.839 7.203 -7.491 1.00 0.00 O ATOM 892 CB ASN A 59 -8.504 8.245 -5.195 1.00 0.00 C ATOM 893 CG ASN A 59 -9.677 9.151 -4.869 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.738 8.578 -4.311 1.00 0.00 O flip ATOM 895 ND2 ASN A 59 -9.629 10.356 -5.113 1.00 0.00 N flip ATOM 0 H ASN A 59 -6.895 6.490 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.324 6.449 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.750 8.339 -4.414 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.042 8.576 -6.125 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.795 10.757 -5.542 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.423 10.954 -4.886 1.00 0.00 H new ATOM 902 N SER A 60 -10.988 5.828 -6.139 1.00 0.00 N ATOM 903 CA SER A 60 -12.053 5.601 -7.111 1.00 0.00 C ATOM 904 C SER A 60 -12.875 6.866 -7.355 1.00 0.00 C ATOM 905 O SER A 60 -13.561 6.977 -8.371 1.00 0.00 O ATOM 906 CB SER A 60 -12.972 4.476 -6.634 1.00 0.00 C ATOM 907 OG SER A 60 -14.031 4.983 -5.841 1.00 0.00 O ATOM 0 H SER A 60 -11.109 5.334 -5.255 1.00 0.00 H new ATOM 0 HA SER A 60 -11.582 5.316 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.380 3.946 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.396 3.752 -6.057 1.00 0.00 H new ATOM 0 HG SER A 60 -13.953 4.633 -4.929 1.00 0.00 H new ATOM 913 N ARG A 61 -12.808 7.818 -6.429 1.00 0.00 N ATOM 914 CA ARG A 61 -13.555 9.065 -6.571 1.00 0.00 C ATOM 915 C ARG A 61 -12.741 10.089 -7.353 1.00 0.00 C ATOM 916 O ARG A 61 -12.987 11.293 -7.268 1.00 0.00 O ATOM 917 CB ARG A 61 -13.920 9.625 -5.195 1.00 0.00 C ATOM 918 CG ARG A 61 -15.214 10.423 -5.186 1.00 0.00 C ATOM 919 CD ARG A 61 -15.806 10.510 -3.789 1.00 0.00 C ATOM 920 NE ARG A 61 -16.634 11.701 -3.619 1.00 0.00 N ATOM 921 CZ ARG A 61 -17.234 12.025 -2.477 1.00 0.00 C ATOM 922 NH1 ARG A 61 -17.099 11.251 -1.409 1.00 0.00 N ATOM 923 NH2 ARG A 61 -17.971 13.125 -2.403 1.00 0.00 N ATOM 0 H ARG A 61 -12.249 7.752 -5.578 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.473 8.856 -7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.007 8.800 -4.488 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.108 10.262 -4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.026 11.427 -5.566 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.934 9.958 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.405 9.621 -3.593 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -15.001 10.520 -3.054 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.759 12.319 -4.421 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.533 10.404 -1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.561 11.503 -0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.078 13.723 -3.222 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.431 13.373 -1.527 1.00 0.00 H new ATOM 937 N TRP A 62 -11.774 9.595 -8.116 1.00 0.00 N ATOM 938 CA TRP A 62 -10.922 10.465 -8.922 1.00 0.00 C ATOM 939 C TRP A 62 -10.188 9.713 -10.034 1.00 0.00 C ATOM 940 O TRP A 62 -9.470 10.331 -10.821 1.00 0.00 O ATOM 941 CB TRP A 62 -9.907 11.177 -8.027 1.00 0.00 C ATOM 942 CG TRP A 62 -9.828 12.652 -8.277 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.758 13.592 -7.936 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.760 13.357 -8.920 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.334 14.839 -8.329 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.109 14.721 -8.934 1.00 0.00 C ATOM 947 CE3 TRP A 62 -7.541 12.968 -9.484 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.285 15.695 -9.492 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -6.724 13.937 -10.036 1.00 0.00 C ATOM 950 CH2 TRP A 62 -7.099 15.286 -10.036 1.00 0.00 C ATOM 0 H TRP A 62 -11.559 8.601 -8.195 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.577 11.192 -9.402 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.171 11.006 -6.983 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.923 10.736 -8.183 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -11.690 13.386 -7.431 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.847 15.710 -8.193 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.243 11.930 -9.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.572 16.736 -9.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.780 13.649 -10.475 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -6.438 16.019 -10.475 1.00 0.00 H new ATOM 961 N TRP A 63 -10.336 8.389 -10.096 1.00 0.00 N ATOM 962 CA TRP A 63 -9.643 7.607 -11.113 1.00 0.00 C ATOM 963 C TRP A 63 -10.564 6.615 -11.812 1.00 0.00 C ATOM 964 O TRP A 63 -10.827 6.733 -13.010 1.00 0.00 O ATOM 965 CB TRP A 63 -8.465 6.859 -10.478 1.00 0.00 C ATOM 966 CG TRP A 63 -7.380 7.775 -10.004 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.785 7.805 -8.775 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.773 8.812 -10.768 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.835 8.801 -8.738 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.813 9.434 -9.955 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.955 9.266 -12.068 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.035 10.498 -10.410 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.196 10.314 -12.521 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.241 10.927 -11.697 1.00 0.00 C ATOM 0 H TRP A 63 -10.921 7.845 -9.463 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.282 8.305 -11.869 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.828 6.268 -9.637 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.051 6.160 -11.204 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.024 7.145 -7.954 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.245 9.030 -7.938 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.685 8.800 -12.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.299 10.966 -9.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.336 10.674 -13.530 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.658 11.751 -12.082 1.00 0.00 H new ATOM 985 N CYS A 64 -11.023 5.622 -11.067 1.00 0.00 N ATOM 986 CA CYS A 64 -11.883 4.590 -11.631 1.00 0.00 C ATOM 987 C CYS A 64 -13.356 4.859 -11.384 1.00 0.00 C ATOM 988 O CYS A 64 -13.727 5.662 -10.529 1.00 0.00 O ATOM 989 CB CYS A 64 -11.509 3.216 -11.070 1.00 0.00 C ATOM 990 SG CYS A 64 -12.150 2.885 -9.395 1.00 0.00 S ATOM 0 H CYS A 64 -10.817 5.507 -10.075 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.723 4.604 -12.709 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.882 2.447 -11.747 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.423 3.127 -11.054 1.00 0.00 H new ATOM 995 N ASN A 65 -14.188 4.166 -12.149 1.00 0.00 N ATOM 996 CA ASN A 65 -15.637 4.301 -12.036 1.00 0.00 C ATOM 997 C ASN A 65 -16.228 3.112 -11.285 1.00 0.00 C ATOM 998 O ASN A 65 -16.240 1.989 -11.790 1.00 0.00 O ATOM 999 CB ASN A 65 -16.272 4.410 -13.424 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.648 5.046 -13.382 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.948 5.846 -12.495 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.493 4.692 -14.343 1.00 0.00 N ATOM 0 H ASN A 65 -13.884 3.500 -12.859 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.853 5.211 -11.477 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.623 4.998 -14.072 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.347 3.416 -13.865 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.433 5.087 -14.366 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.202 4.025 -15.058 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.711 3.366 -10.073 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.297 2.314 -9.249 1.00 0.00 C ATOM 1011 C ASP A 66 -18.815 2.284 -9.391 1.00 0.00 C ATOM 1012 O ASP A 66 -19.445 1.247 -9.186 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.910 2.512 -7.783 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.617 3.695 -7.150 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.651 4.772 -7.782 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -18.134 3.544 -6.024 1.00 0.00 O ATOM 0 H ASP A 66 -16.708 4.290 -9.640 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.905 1.358 -9.595 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.148 1.608 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.832 2.656 -7.712 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.398 3.424 -9.749 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.839 3.501 -9.919 1.00 0.00 C ATOM 1023 C GLY A 67 -21.593 3.509 -8.601 1.00 0.00 C ATOM 1024 O GLY A 67 -22.757 3.908 -8.551 1.00 0.00 O ATOM 0 H GLY A 67 -18.899 4.296 -9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.086 4.404 -10.478 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.174 2.654 -10.518 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.936 3.066 -7.533 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.560 3.023 -6.216 1.00 0.00 C ATOM 1030 C ARG A 68 -21.285 4.304 -5.436 1.00 0.00 C ATOM 1031 O ARG A 68 -21.863 4.532 -4.373 1.00 0.00 O ATOM 1032 CB ARG A 68 -21.052 1.814 -5.428 1.00 0.00 C ATOM 1033 CG ARG A 68 -22.165 0.940 -4.871 1.00 0.00 C ATOM 1034 CD ARG A 68 -22.225 -0.404 -5.580 1.00 0.00 C ATOM 1035 NE ARG A 68 -23.365 -1.204 -5.141 1.00 0.00 N ATOM 1036 CZ ARG A 68 -24.278 -1.703 -5.969 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -24.185 -1.486 -7.274 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -25.286 -2.421 -5.491 1.00 0.00 N ATOM 0 H ARG A 68 -19.972 2.732 -7.554 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.637 2.932 -6.357 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -20.416 1.210 -6.075 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.429 2.163 -4.605 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -22.007 0.783 -3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -23.121 1.453 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -22.288 -0.244 -6.656 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.303 -0.954 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 68 -23.467 -1.390 -4.143 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -23.411 -0.935 -7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -24.887 -1.870 -7.906 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -25.361 -2.590 -4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -25.986 -2.804 -6.127 1.00 0.00 H new ATOM 1052 N THR A 69 -20.400 5.139 -5.971 1.00 0.00 N ATOM 1053 CA THR A 69 -20.050 6.397 -5.324 1.00 0.00 C ATOM 1054 C THR A 69 -19.976 7.536 -6.339 1.00 0.00 C ATOM 1055 O THR A 69 -18.900 7.862 -6.842 1.00 0.00 O ATOM 1056 CB THR A 69 -18.702 6.294 -4.585 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.656 5.086 -3.815 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.491 7.492 -3.672 1.00 0.00 C ATOM 0 H THR A 69 -19.913 4.967 -6.850 1.00 0.00 H new ATOM 0 HA THR A 69 -20.837 6.609 -4.600 1.00 0.00 H new ATOM 0 HB THR A 69 -17.906 6.281 -5.329 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.472 4.327 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.533 7.396 -3.162 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.496 8.407 -4.265 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.292 7.533 -2.934 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.127 8.158 -6.655 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.188 9.266 -7.616 1.00 0.00 C ATOM 1068 C PRO A 70 -20.248 10.406 -7.241 1.00 0.00 C ATOM 1069 O PRO A 70 -20.298 10.923 -6.125 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.645 9.729 -7.540 1.00 0.00 C ATOM 1071 CG PRO A 70 -23.396 8.549 -7.028 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.454 7.831 -6.104 1.00 0.00 C ATOM 0 HA PRO A 70 -20.879 8.956 -8.614 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.753 10.585 -6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.013 10.037 -8.519 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -24.299 8.859 -6.502 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.710 7.901 -7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -22.559 8.175 -5.075 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.635 6.756 -6.100 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.391 10.793 -8.180 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.452 11.870 -7.930 1.00 0.00 C ATOM 1082 C GLY A 71 -17.045 11.536 -8.385 1.00 0.00 C ATOM 1083 O GLY A 71 -16.101 12.271 -8.091 1.00 0.00 O ATOM 0 H GLY A 71 -19.330 10.379 -9.110 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.792 12.769 -8.444 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.441 12.097 -6.864 1.00 0.00 H new ATOM 1087 N SER A 72 -16.902 10.425 -9.103 1.00 0.00 N ATOM 1088 CA SER A 72 -15.598 9.993 -9.599 1.00 0.00 C ATOM 1089 C SER A 72 -15.075 10.959 -10.663 1.00 0.00 C ATOM 1090 O SER A 72 -15.182 12.176 -10.513 1.00 0.00 O ATOM 1091 CB SER A 72 -15.696 8.576 -10.167 1.00 0.00 C ATOM 1092 OG SER A 72 -16.668 8.503 -11.195 1.00 0.00 O ATOM 0 H SER A 72 -17.674 9.807 -9.355 1.00 0.00 H new ATOM 0 HA SER A 72 -14.894 9.992 -8.767 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.726 8.270 -10.558 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.953 7.879 -9.370 1.00 0.00 H new ATOM 0 HG SER A 72 -16.868 7.564 -11.390 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.510 10.415 -11.739 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.971 11.227 -12.825 1.00 0.00 C ATOM 1100 C ARG A 73 -13.650 10.344 -14.028 1.00 0.00 C ATOM 1101 O ARG A 73 -13.802 10.758 -15.177 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.714 11.969 -12.366 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.804 13.477 -12.531 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.316 13.918 -13.902 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.475 15.356 -14.104 1.00 0.00 N ATOM 1106 CZ ARG A 73 -13.636 15.934 -14.399 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -14.734 15.201 -14.525 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -13.699 17.248 -14.567 1.00 0.00 N ATOM 0 H ARG A 73 -14.414 9.410 -11.881 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.721 11.963 -13.115 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.528 11.737 -11.317 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.858 11.600 -12.931 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.836 13.798 -12.390 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.210 13.965 -11.758 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.266 13.650 -14.016 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.868 13.381 -14.673 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.650 15.949 -14.014 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -14.690 14.190 -14.396 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.622 15.648 -14.751 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.857 17.815 -14.470 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.589 17.691 -14.793 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.210 9.119 -13.741 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.867 8.144 -14.775 1.00 0.00 C ATOM 1124 C ASN A 74 -11.645 8.603 -15.555 1.00 0.00 C ATOM 1125 O ASN A 74 -11.463 8.253 -16.721 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.049 7.925 -15.723 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.074 6.525 -16.302 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.787 5.548 -15.610 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.420 6.419 -17.581 1.00 0.00 N ATOM 0 H ASN A 74 -13.082 8.776 -12.789 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.634 7.197 -14.288 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.980 8.110 -15.187 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.999 8.650 -16.535 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.455 5.502 -18.025 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.650 7.255 -18.118 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.799 9.369 -14.883 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.573 9.870 -15.458 1.00 0.00 C ATOM 1138 C LEU A 75 -8.710 8.730 -15.923 1.00 0.00 C ATOM 1139 O LEU A 75 -8.121 8.740 -17.005 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.836 10.608 -14.365 1.00 0.00 C ATOM 1141 CG LEU A 75 -9.118 12.107 -14.286 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.360 12.739 -13.129 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.768 12.794 -15.598 1.00 0.00 C ATOM 0 H LEU A 75 -10.951 9.659 -13.917 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.796 10.515 -16.308 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.092 10.156 -13.407 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.765 10.463 -14.510 1.00 0.00 H new ATOM 0 HG LEU A 75 -10.185 12.241 -14.107 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.576 13.807 -13.092 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.670 12.274 -12.193 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.290 12.590 -13.271 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.977 13.861 -15.517 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.710 12.647 -15.815 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.366 12.367 -16.403 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.652 7.761 -15.051 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.883 6.565 -15.242 1.00 0.00 C ATOM 1157 C CYS A 76 -8.677 5.551 -16.054 1.00 0.00 C ATOM 1158 O CYS A 76 -8.110 4.710 -16.752 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.574 6.033 -13.861 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.904 5.351 -13.639 1.00 0.00 S ATOM 0 H CYS A 76 -9.153 7.784 -14.163 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.965 6.763 -15.795 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.717 6.838 -13.140 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.300 5.256 -13.619 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.001 5.648 -15.950 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.900 4.748 -16.662 1.00 0.00 C ATOM 1167 C ASN A 77 -10.488 3.307 -16.415 1.00 0.00 C ATOM 1168 O ASN A 77 -10.205 2.556 -17.349 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.883 5.053 -18.162 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.203 4.730 -18.835 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.720 5.521 -19.623 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.755 3.562 -18.527 1.00 0.00 N ATOM 0 H ASN A 77 -10.475 6.345 -15.376 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.914 4.897 -16.291 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.650 6.107 -18.313 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.087 4.480 -18.637 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.643 3.290 -18.949 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.291 2.937 -17.868 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.434 2.936 -15.143 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.030 1.593 -14.764 1.00 0.00 C ATOM 1181 C ILE A 78 -11.127 0.868 -13.991 1.00 0.00 C ATOM 1182 O ILE A 78 -11.988 1.499 -13.381 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.739 1.621 -13.921 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.043 1.425 -12.425 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.011 2.927 -14.162 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.234 2.314 -11.503 1.00 0.00 C ATOM 0 H ILE A 78 -10.665 3.546 -14.359 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.843 1.048 -15.689 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.100 0.794 -14.228 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.103 1.613 -12.254 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.857 0.384 -12.162 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.098 2.950 -13.567 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.758 3.013 -15.219 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.653 3.760 -13.874 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.510 2.112 -10.468 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.172 2.111 -11.642 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.437 3.359 -11.735 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.100 -0.476 -13.984 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.079 -1.269 -13.251 1.00 0.00 C ATOM 1200 C PRO A 79 -11.728 -1.313 -11.768 1.00 0.00 C ATOM 1201 O PRO A 79 -10.683 -1.842 -11.385 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.949 -2.649 -13.888 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.526 -2.730 -14.322 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.100 -1.323 -14.664 1.00 0.00 C ATOM 0 HA PRO A 79 -13.092 -0.869 -13.305 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.192 -3.438 -13.177 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.628 -2.761 -14.733 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -9.902 -3.142 -13.529 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -10.421 -3.388 -15.185 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.091 -1.113 -14.309 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.100 -1.156 -15.741 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.585 -0.731 -10.940 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.344 -0.679 -9.503 1.00 0.00 C ATOM 1214 C CYS A 80 -12.294 -2.072 -8.877 1.00 0.00 C ATOM 1215 O CYS A 80 -11.268 -2.474 -8.330 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.417 0.174 -8.825 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.790 1.727 -9.707 1.00 0.00 S ATOM 0 H CYS A 80 -13.454 -0.288 -11.238 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.366 -0.223 -9.348 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.332 -0.412 -8.738 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.093 0.411 -7.812 1.00 0.00 H new ATOM 1222 N SER A 81 -13.405 -2.796 -8.945 1.00 0.00 N ATOM 1223 CA SER A 81 -13.482 -4.138 -8.367 1.00 0.00 C ATOM 1224 C SER A 81 -12.460 -5.088 -8.991 1.00 0.00 C ATOM 1225 O SER A 81 -12.103 -6.101 -8.391 1.00 0.00 O ATOM 1226 CB SER A 81 -14.891 -4.706 -8.536 1.00 0.00 C ATOM 1227 OG SER A 81 -15.307 -4.643 -9.890 1.00 0.00 O ATOM 0 H SER A 81 -14.265 -2.480 -9.393 1.00 0.00 H new ATOM 0 HA SER A 81 -13.249 -4.050 -7.306 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.913 -5.740 -8.193 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.589 -4.148 -7.911 1.00 0.00 H new ATOM 0 HG SER A 81 -16.210 -5.014 -9.972 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.990 -4.761 -10.192 1.00 0.00 N ATOM 1234 CA ALA A 82 -11.009 -5.601 -10.874 1.00 0.00 C ATOM 1235 C ALA A 82 -9.588 -5.203 -10.491 1.00 0.00 C ATOM 1236 O ALA A 82 -8.644 -5.970 -10.684 1.00 0.00 O ATOM 1237 CB ALA A 82 -11.197 -5.522 -12.381 1.00 0.00 C ATOM 0 H ALA A 82 -12.269 -3.928 -10.710 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.168 -6.632 -10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.458 -6.154 -12.873 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.198 -5.865 -12.641 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.070 -4.491 -12.710 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.448 -4.004 -9.938 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.145 -3.507 -9.513 1.00 0.00 C ATOM 1245 C LEU A 83 -7.889 -3.873 -8.057 1.00 0.00 C ATOM 1246 O LEU A 83 -6.801 -3.654 -7.526 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.057 -1.986 -9.713 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.366 -1.133 -8.480 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.083 -0.756 -7.755 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -9.135 0.116 -8.876 1.00 0.00 C ATOM 0 H LEU A 83 -10.220 -3.358 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.377 -3.977 -10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.052 -1.741 -10.058 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.745 -1.703 -10.509 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.985 -1.722 -7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.323 -0.150 -6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.565 -1.661 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.440 -0.187 -8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.346 0.710 -7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.539 0.705 -9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.073 -0.170 -9.352 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.908 -4.437 -7.421 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.815 -4.840 -6.026 1.00 0.00 C ATOM 1264 C LEU A 84 -8.630 -6.346 -5.903 1.00 0.00 C ATOM 1265 O LEU A 84 -8.507 -6.881 -4.802 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.067 -4.385 -5.280 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.402 -2.903 -5.456 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.482 -2.478 -4.478 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.154 -2.045 -5.282 1.00 0.00 C ATOM 0 H LEU A 84 -9.812 -4.626 -7.853 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.941 -4.365 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.915 -4.980 -5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.938 -4.592 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.780 -2.757 -6.468 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.706 -1.421 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.383 -3.066 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.134 -2.642 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.414 -0.994 -5.411 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.744 -2.197 -4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.410 -2.329 -6.027 1.00 0.00 H new ATOM 1281 N SER A 85 -8.598 -7.019 -7.046 1.00 0.00 N ATOM 1282 CA SER A 85 -8.412 -8.465 -7.082 1.00 0.00 C ATOM 1283 C SER A 85 -7.017 -8.841 -6.606 1.00 0.00 C ATOM 1284 O SER A 85 -6.267 -8.002 -6.106 1.00 0.00 O ATOM 1285 CB SER A 85 -8.635 -8.990 -8.502 1.00 0.00 C ATOM 1286 OG SER A 85 -10.010 -8.963 -8.845 1.00 0.00 O ATOM 0 H SER A 85 -8.699 -6.585 -7.964 1.00 0.00 H new ATOM 0 HA SER A 85 -9.142 -8.920 -6.413 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.068 -8.385 -9.210 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.257 -10.010 -8.580 1.00 0.00 H new ATOM 0 HG SER A 85 -10.126 -9.302 -9.757 1.00 0.00 H new ATOM 1292 N SER A 86 -6.678 -10.108 -6.775 1.00 0.00 N ATOM 1293 CA SER A 86 -5.369 -10.614 -6.375 1.00 0.00 C ATOM 1294 C SER A 86 -4.327 -10.267 -7.430 1.00 0.00 C ATOM 1295 O SER A 86 -3.306 -10.945 -7.565 1.00 0.00 O ATOM 1296 CB SER A 86 -5.424 -12.129 -6.168 1.00 0.00 C ATOM 1297 OG SER A 86 -5.510 -12.812 -7.407 1.00 0.00 O ATOM 0 H SER A 86 -7.292 -10.810 -7.188 1.00 0.00 H new ATOM 0 HA SER A 86 -5.087 -10.143 -5.433 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.535 -12.458 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.284 -12.383 -5.549 1.00 0.00 H new ATOM 0 HG SER A 86 -5.542 -13.778 -7.246 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.603 -9.208 -8.181 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.715 -8.753 -9.237 1.00 0.00 C ATOM 1305 C ASP A 87 -3.438 -7.260 -9.099 1.00 0.00 C ATOM 1306 O ASP A 87 -4.360 -6.444 -9.141 1.00 0.00 O ATOM 1307 CB ASP A 87 -4.345 -9.054 -10.595 1.00 0.00 C ATOM 1308 CG ASP A 87 -3.485 -8.589 -11.754 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -2.244 -8.592 -11.610 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -4.052 -8.226 -12.805 1.00 0.00 O ATOM 0 H ASP A 87 -5.446 -8.644 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.765 -9.282 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.516 -10.127 -10.682 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.320 -8.570 -10.654 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.167 -6.905 -8.928 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.779 -5.506 -8.776 1.00 0.00 C ATOM 1317 C ILE A 88 -1.672 -4.806 -10.122 1.00 0.00 C ATOM 1318 O ILE A 88 -1.456 -3.598 -10.175 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.432 -5.355 -8.042 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.463 -6.568 -8.300 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.654 -5.155 -6.552 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.934 -6.226 -8.371 1.00 0.00 C ATOM 0 H ILE A 88 -1.390 -7.565 -8.891 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.566 -5.042 -8.181 1.00 0.00 H new ATOM 0 HB ILE A 88 0.074 -4.472 -8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.306 -7.301 -7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.162 -7.040 -9.235 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.309 -5.050 -6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.247 -4.255 -6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.183 -6.016 -6.144 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.510 -7.133 -8.556 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.104 -5.517 -9.181 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.250 -5.782 -7.427 1.00 0.00 H new ATOM 1334 N THR A 89 -1.809 -5.561 -11.205 1.00 0.00 N ATOM 1335 CA THR A 89 -1.714 -4.990 -12.542 1.00 0.00 C ATOM 1336 C THR A 89 -2.593 -3.752 -12.677 1.00 0.00 C ATOM 1337 O THR A 89 -2.126 -2.693 -13.093 1.00 0.00 O ATOM 1338 CB THR A 89 -2.111 -6.011 -13.625 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.241 -7.148 -13.568 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.044 -5.389 -15.012 1.00 0.00 C ATOM 0 H THR A 89 -1.985 -6.565 -11.184 1.00 0.00 H new ATOM 0 HA THR A 89 -0.671 -4.709 -12.688 1.00 0.00 H new ATOM 0 HB THR A 89 -3.137 -6.325 -13.434 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.393 -7.634 -12.731 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.329 -6.131 -15.758 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.727 -4.541 -15.064 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.028 -5.048 -15.209 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.871 -3.895 -12.340 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.814 -2.798 -12.438 1.00 0.00 C ATOM 1350 C ALA A 90 -4.466 -1.649 -11.489 1.00 0.00 C ATOM 1351 O ALA A 90 -4.421 -0.491 -11.903 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.225 -3.297 -12.177 1.00 0.00 C ATOM 0 H ALA A 90 -4.274 -4.766 -11.996 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.754 -2.404 -13.452 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.925 -2.465 -12.253 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.484 -4.058 -12.913 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.280 -3.727 -11.177 1.00 0.00 H new ATOM 1358 N SER A 91 -4.215 -1.973 -10.220 1.00 0.00 N ATOM 1359 CA SER A 91 -3.866 -0.959 -9.226 1.00 0.00 C ATOM 1360 C SER A 91 -2.587 -0.231 -9.614 1.00 0.00 C ATOM 1361 O SER A 91 -2.423 0.957 -9.327 1.00 0.00 O ATOM 1362 CB SER A 91 -3.693 -1.599 -7.848 1.00 0.00 C ATOM 1363 OG SER A 91 -4.257 -2.899 -7.814 1.00 0.00 O ATOM 0 H SER A 91 -4.247 -2.926 -9.858 1.00 0.00 H new ATOM 0 HA SER A 91 -4.681 -0.236 -9.188 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.633 -1.653 -7.599 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.167 -0.974 -7.091 1.00 0.00 H new ATOM 0 HG SER A 91 -5.196 -2.856 -8.092 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.685 -0.947 -10.268 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.429 -0.355 -10.685 1.00 0.00 C ATOM 1371 C VAL A 92 -0.577 0.375 -12.002 1.00 0.00 C ATOM 1372 O VAL A 92 0.123 1.347 -12.247 1.00 0.00 O ATOM 1373 CB VAL A 92 0.714 -1.382 -10.801 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.955 -0.727 -11.405 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.029 -1.988 -9.441 1.00 0.00 C ATOM 0 H VAL A 92 -1.800 -1.929 -10.518 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.163 0.352 -9.899 1.00 0.00 H new ATOM 0 HB VAL A 92 0.394 -2.186 -11.463 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.755 -1.464 -11.481 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.718 -0.345 -12.398 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.279 0.096 -10.767 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.839 -2.711 -9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.332 -1.199 -8.752 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.143 -2.489 -9.052 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.485 -0.079 -12.852 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.697 0.568 -14.114 1.00 0.00 C ATOM 1387 C ASN A 93 -2.153 1.997 -13.880 1.00 0.00 C ATOM 1388 O ASN A 93 -1.646 2.944 -14.488 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.714 -0.207 -14.929 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.842 0.658 -15.459 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.697 1.336 -16.476 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.976 0.640 -14.767 1.00 0.00 N ATOM 0 H ASN A 93 -2.079 -0.890 -12.682 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.764 0.592 -14.677 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.208 -0.687 -15.767 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.134 -1.002 -14.313 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.770 1.203 -15.074 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.053 0.063 -13.929 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.102 2.137 -12.967 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.628 3.439 -12.615 1.00 0.00 C ATOM 1401 C CYS A 94 -2.549 4.285 -11.958 1.00 0.00 C ATOM 1402 O CYS A 94 -2.369 5.450 -12.310 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.827 3.307 -11.682 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.910 4.767 -11.693 1.00 0.00 S ATOM 0 H CYS A 94 -3.522 1.360 -12.457 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.956 3.930 -13.531 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.408 2.430 -11.969 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.471 3.135 -10.666 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.823 3.699 -11.005 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.768 4.439 -10.329 1.00 0.00 C ATOM 1411 C ALA A 95 0.362 4.725 -11.296 1.00 0.00 C ATOM 1412 O ALA A 95 0.992 5.771 -11.225 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.260 3.708 -9.112 1.00 0.00 C ATOM 0 H ALA A 95 -1.945 2.736 -10.692 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.188 5.383 -9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.526 4.295 -8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.079 3.561 -8.408 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.140 2.739 -9.410 1.00 0.00 H new ATOM 1419 N LYS A 96 0.598 3.800 -12.220 1.00 0.00 N ATOM 1420 CA LYS A 96 1.632 3.990 -13.221 1.00 0.00 C ATOM 1421 C LYS A 96 1.374 5.341 -13.875 1.00 0.00 C ATOM 1422 O LYS A 96 2.286 6.121 -14.163 1.00 0.00 O ATOM 1423 CB LYS A 96 1.585 2.878 -14.272 1.00 0.00 C ATOM 1424 CG LYS A 96 2.519 1.717 -13.973 1.00 0.00 C ATOM 1425 CD LYS A 96 2.639 0.776 -15.161 1.00 0.00 C ATOM 1426 CE LYS A 96 1.784 -0.468 -14.976 1.00 0.00 C ATOM 1427 NZ LYS A 96 1.055 -0.832 -16.222 1.00 0.00 N ATOM 0 H LYS A 96 0.090 2.919 -12.294 1.00 0.00 H new ATOM 0 HA LYS A 96 2.619 3.958 -12.760 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.564 2.502 -14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.841 3.298 -15.245 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.505 2.101 -13.711 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.151 1.166 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.335 1.295 -16.070 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.681 0.486 -15.293 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.417 -1.301 -14.669 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.067 -0.299 -14.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.484 -1.685 -16.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.432 -0.048 -16.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.739 -1.018 -16.983 1.00 0.00 H new ATOM 1441 N LYS A 97 0.082 5.606 -14.045 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.389 6.860 -14.608 1.00 0.00 C ATOM 1443 C LYS A 97 -0.353 7.946 -13.539 1.00 0.00 C ATOM 1444 O LYS A 97 -0.123 9.119 -13.838 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.809 6.705 -15.157 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.049 7.473 -16.447 1.00 0.00 C ATOM 1447 CD LYS A 97 -1.718 6.630 -17.667 1.00 0.00 C ATOM 1448 CE LYS A 97 -2.967 6.278 -18.457 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.592 7.481 -19.075 1.00 0.00 N ATOM 0 H LYS A 97 -0.664 4.957 -13.796 1.00 0.00 H new ATOM 0 HA LYS A 97 0.266 7.144 -15.432 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.009 5.648 -15.331 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.520 7.045 -14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -3.091 7.790 -16.494 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.440 8.377 -16.452 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.022 7.172 -18.307 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.215 5.715 -17.353 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.713 5.560 -19.237 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.688 5.792 -17.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.185 7.190 -19.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.180 7.968 -18.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.848 8.125 -19.410 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.561 7.540 -12.286 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.531 8.474 -11.171 1.00 0.00 C ATOM 1465 C ILE A 98 0.857 9.094 -11.043 1.00 0.00 C ATOM 1466 O ILE A 98 1.007 10.314 -10.970 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.922 7.797 -9.841 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.411 7.433 -9.855 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.608 8.714 -8.666 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.847 6.612 -8.658 1.00 0.00 C ATOM 0 H ILE A 98 -0.751 6.573 -12.023 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.265 9.253 -11.378 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.340 6.883 -9.727 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.000 8.349 -9.890 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.632 6.877 -10.766 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.890 8.222 -7.735 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.459 8.934 -8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.169 9.643 -8.769 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.912 6.392 -8.736 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.285 5.679 -8.633 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.659 7.174 -7.743 1.00 0.00 H new ATOM 1482 N VAL A 99 1.863 8.229 -11.022 1.00 0.00 N ATOM 1483 CA VAL A 99 3.250 8.646 -10.909 1.00 0.00 C ATOM 1484 C VAL A 99 3.730 9.311 -12.194 1.00 0.00 C ATOM 1485 O VAL A 99 4.669 10.107 -12.175 1.00 0.00 O ATOM 1486 CB VAL A 99 4.163 7.447 -10.592 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.196 6.477 -11.763 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.565 7.917 -10.239 1.00 0.00 C ATOM 0 H VAL A 99 1.738 7.219 -11.083 1.00 0.00 H new ATOM 0 HA VAL A 99 3.304 9.365 -10.092 1.00 0.00 H new ATOM 0 HB VAL A 99 3.755 6.924 -9.727 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.846 5.636 -11.521 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.188 6.111 -11.961 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.577 6.987 -12.648 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.193 7.054 -10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.987 8.468 -11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.522 8.567 -9.365 1.00 0.00 H new ATOM 1498 N SER A 100 3.071 8.997 -13.307 1.00 0.00 N ATOM 1499 CA SER A 100 3.433 9.586 -14.591 1.00 0.00 C ATOM 1500 C SER A 100 2.738 10.929 -14.774 1.00 0.00 C ATOM 1501 O SER A 100 3.060 11.690 -15.688 1.00 0.00 O ATOM 1502 CB SER A 100 3.057 8.643 -15.736 1.00 0.00 C ATOM 1503 OG SER A 100 3.532 9.132 -16.978 1.00 0.00 O ATOM 0 H SER A 100 2.289 8.343 -13.345 1.00 0.00 H new ATOM 0 HA SER A 100 4.512 9.743 -14.605 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.474 7.654 -15.548 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.974 8.530 -15.777 1.00 0.00 H new ATOM 0 HG SER A 100 3.684 10.098 -16.913 1.00 0.00 H new ATOM 1509 N ASP A 101 1.778 11.213 -13.897 1.00 0.00 N ATOM 1510 CA ASP A 101 1.028 12.462 -13.956 1.00 0.00 C ATOM 1511 C ASP A 101 1.801 13.604 -13.303 1.00 0.00 C ATOM 1512 O ASP A 101 1.363 14.755 -13.336 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.330 12.295 -13.273 1.00 0.00 C ATOM 1514 CG ASP A 101 -1.474 12.796 -14.132 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.475 13.996 -14.479 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -2.370 11.990 -14.457 1.00 0.00 O ATOM 0 H ASP A 101 1.502 10.593 -13.136 1.00 0.00 H new ATOM 0 HA ASP A 101 0.875 12.711 -15.006 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.489 11.242 -13.039 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.326 12.835 -12.326 1.00 0.00 H new ATOM 1521 N GLY A 102 2.953 13.288 -12.715 1.00 0.00 N ATOM 1522 CA GLY A 102 3.758 14.313 -12.073 1.00 0.00 C ATOM 1523 C GLY A 102 4.092 13.988 -10.629 1.00 0.00 C ATOM 1524 O GLY A 102 5.229 14.174 -10.194 1.00 0.00 O ATOM 0 H GLY A 102 3.341 12.346 -12.672 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.684 14.444 -12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.225 15.263 -12.112 1.00 0.00 H new ATOM 1528 N ASN A 103 3.102 13.511 -9.881 1.00 0.00 N ATOM 1529 CA ASN A 103 3.301 13.170 -8.475 1.00 0.00 C ATOM 1530 C ASN A 103 3.708 11.709 -8.316 1.00 0.00 C ATOM 1531 O ASN A 103 2.918 10.802 -8.578 1.00 0.00 O ATOM 1532 CB ASN A 103 2.024 13.445 -7.678 1.00 0.00 C ATOM 1533 CG ASN A 103 2.053 14.795 -6.986 1.00 0.00 C ATOM 1534 OD1 ASN A 103 2.785 15.698 -7.390 1.00 0.00 O ATOM 1535 ND2 ASN A 103 1.253 14.937 -5.936 1.00 0.00 N ATOM 0 H ASN A 103 2.155 13.352 -10.224 1.00 0.00 H new ATOM 0 HA ASN A 103 4.107 13.794 -8.088 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.165 13.401 -8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.888 12.661 -6.933 1.00 0.00 H new ATOM 0 HD21 ASN A 103 1.229 15.822 -5.429 1.00 0.00 H new ATOM 0 HD22 ASN A 103 0.663 14.161 -5.636 1.00 0.00 H new ATOM 1542 N GLY A 104 4.949 11.487 -7.890 1.00 0.00 N ATOM 1543 CA GLY A 104 5.444 10.135 -7.711 1.00 0.00 C ATOM 1544 C GLY A 104 4.977 9.497 -6.417 1.00 0.00 C ATOM 1545 O GLY A 104 3.778 9.405 -6.164 1.00 0.00 O ATOM 0 H GLY A 104 5.620 12.221 -7.666 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.118 9.521 -8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.534 10.148 -7.730 1.00 0.00 H new ATOM 1549 N MET A 105 5.931 9.066 -5.591 1.00 0.00 N ATOM 1550 CA MET A 105 5.620 8.441 -4.313 1.00 0.00 C ATOM 1551 C MET A 105 5.197 9.499 -3.317 1.00 0.00 C ATOM 1552 O MET A 105 4.756 9.195 -2.209 1.00 0.00 O ATOM 1553 CB MET A 105 6.843 7.698 -3.772 1.00 0.00 C ATOM 1554 CG MET A 105 7.767 7.168 -4.855 1.00 0.00 C ATOM 1555 SD MET A 105 6.929 6.067 -6.006 1.00 0.00 S ATOM 1556 CE MET A 105 5.996 5.056 -4.865 1.00 0.00 C ATOM 0 H MET A 105 6.929 9.141 -5.789 1.00 0.00 H new ATOM 0 HA MET A 105 4.808 7.729 -4.462 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.406 8.369 -3.123 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.507 6.865 -3.155 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.193 8.007 -5.406 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.598 6.637 -4.390 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.924 4.040 -5.254 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.499 5.040 -3.898 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.995 5.471 -4.746 1.00 0.00 H new ATOM 1566 N ASN A 106 5.353 10.750 -3.724 1.00 0.00 N ATOM 1567 CA ASN A 106 5.012 11.881 -2.887 1.00 0.00 C ATOM 1568 C ASN A 106 3.503 12.085 -2.831 1.00 0.00 C ATOM 1569 O ASN A 106 2.972 12.583 -1.838 1.00 0.00 O ATOM 1570 CB ASN A 106 5.695 13.131 -3.433 1.00 0.00 C ATOM 1571 CG ASN A 106 6.989 12.813 -4.157 1.00 0.00 C ATOM 1572 OD1 ASN A 106 8.018 12.561 -3.531 1.00 0.00 O ATOM 1573 ND2 ASN A 106 6.942 12.824 -5.484 1.00 0.00 N ATOM 0 H ASN A 106 5.719 11.005 -4.641 1.00 0.00 H new ATOM 0 HA ASN A 106 5.359 11.687 -1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.017 13.644 -4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.901 13.818 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.781 12.618 -6.026 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.067 13.038 -5.962 1.00 0.00 H new ATOM 1580 N ALA A 107 2.818 11.697 -3.904 1.00 0.00 N ATOM 1581 CA ALA A 107 1.368 11.838 -3.977 1.00 0.00 C ATOM 1582 C ALA A 107 0.699 11.209 -2.763 1.00 0.00 C ATOM 1583 O ALA A 107 -0.162 11.817 -2.127 1.00 0.00 O ATOM 1584 CB ALA A 107 0.843 11.205 -5.256 1.00 0.00 C ATOM 0 H ALA A 107 3.244 11.283 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 107 1.128 12.901 -3.984 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.240 11.317 -5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.293 11.698 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.099 10.146 -5.270 1.00 0.00 H new ATOM 1590 N TRP A 108 1.102 9.983 -2.453 1.00 0.00 N ATOM 1591 CA TRP A 108 0.547 9.259 -1.321 1.00 0.00 C ATOM 1592 C TRP A 108 1.186 9.724 -0.015 1.00 0.00 C ATOM 1593 O TRP A 108 2.393 9.959 0.056 1.00 0.00 O ATOM 1594 CB TRP A 108 0.729 7.758 -1.530 1.00 0.00 C ATOM 1595 CG TRP A 108 0.131 7.287 -2.824 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -1.180 6.992 -3.061 1.00 0.00 C ATOM 1597 CD2 TRP A 108 0.821 7.074 -4.062 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.348 6.606 -4.370 1.00 0.00 N ATOM 1599 CE2 TRP A 108 -0.135 6.645 -5.005 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.152 7.201 -4.464 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.202 6.343 -6.326 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.483 6.903 -5.772 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.514 6.478 -6.689 1.00 0.00 C ATOM 0 H TRP A 108 1.814 9.470 -2.973 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.520 9.469 -1.251 1.00 0.00 H new ATOM 0 HB2 TRP A 108 1.792 7.517 -1.515 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.268 7.219 -0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.970 7.053 -2.327 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -2.233 6.335 -4.799 1.00 0.00 H new ATOM 0 HE3 TRP A 108 2.909 7.526 -3.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.545 6.015 -7.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.510 7.000 -6.093 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.808 6.252 -7.703 1.00 0.00 H new ATOM 1614 N VAL A 109 0.350 9.891 1.000 1.00 0.00 N ATOM 1615 CA VAL A 109 0.787 10.373 2.310 1.00 0.00 C ATOM 1616 C VAL A 109 1.456 9.306 3.164 1.00 0.00 C ATOM 1617 O VAL A 109 2.153 9.630 4.125 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.386 10.924 3.103 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.071 12.023 4.050 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.493 11.417 2.184 1.00 0.00 C ATOM 0 H VAL A 109 -0.650 9.697 0.942 1.00 0.00 H new ATOM 0 HA VAL A 109 1.520 11.149 2.092 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.796 10.111 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.785 12.403 4.607 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.807 11.621 4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.519 12.834 3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.317 11.805 2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.107 12.209 1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.849 10.591 1.568 1.00 0.00 H new ATOM 1630 N ALA A 110 1.259 8.043 2.825 1.00 0.00 N ATOM 1631 CA ALA A 110 1.871 6.962 3.590 1.00 0.00 C ATOM 1632 C ALA A 110 3.361 6.888 3.313 1.00 0.00 C ATOM 1633 O ALA A 110 4.150 6.531 4.188 1.00 0.00 O ATOM 1634 CB ALA A 110 1.197 5.635 3.279 1.00 0.00 C ATOM 0 H ALA A 110 0.688 7.740 2.036 1.00 0.00 H new ATOM 0 HA ALA A 110 1.732 7.172 4.651 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.669 4.842 3.860 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.140 5.694 3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.299 5.415 2.216 1.00 0.00 H new ATOM 1640 N TRP A 111 3.747 7.257 2.101 1.00 0.00 N ATOM 1641 CA TRP A 111 5.151 7.260 1.733 1.00 0.00 C ATOM 1642 C TRP A 111 5.800 8.536 2.252 1.00 0.00 C ATOM 1643 O TRP A 111 6.963 8.535 2.650 1.00 0.00 O ATOM 1644 CB TRP A 111 5.327 7.130 0.215 1.00 0.00 C ATOM 1645 CG TRP A 111 6.761 7.144 -0.222 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.558 6.058 -0.448 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.569 8.297 -0.487 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.811 6.465 -0.837 1.00 0.00 N ATOM 1649 CE2 TRP A 111 8.843 7.835 -0.869 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.340 9.675 -0.440 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 9.882 8.702 -1.200 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.370 10.534 -0.769 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.628 10.045 -1.145 1.00 0.00 C ATOM 0 H TRP A 111 3.111 7.556 1.361 1.00 0.00 H new ATOM 0 HA TRP A 111 5.640 6.398 2.187 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.862 6.202 -0.119 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.797 7.947 -0.276 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.248 5.029 -0.337 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.591 5.848 -1.065 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.374 10.061 -0.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 10.853 8.327 -1.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.203 11.601 -0.736 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.413 10.743 -1.397 1.00 0.00 H new ATOM 1664 N ARG A 112 5.032 9.624 2.270 1.00 0.00 N ATOM 1665 CA ARG A 112 5.525 10.898 2.772 1.00 0.00 C ATOM 1666 C ARG A 112 5.200 11.049 4.253 1.00 0.00 C ATOM 1667 O ARG A 112 4.709 12.090 4.690 1.00 0.00 O ATOM 1668 CB ARG A 112 4.896 12.045 1.999 1.00 0.00 C ATOM 1669 CG ARG A 112 5.723 12.514 0.813 1.00 0.00 C ATOM 1670 CD ARG A 112 6.297 13.902 1.048 1.00 0.00 C ATOM 1671 NE ARG A 112 6.461 14.646 -0.198 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.447 15.973 -0.273 1.00 0.00 C ATOM 1673 NH1 ARG A 112 6.277 16.701 0.823 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.602 16.574 -1.444 1.00 0.00 N ATOM 0 H ARG A 112 4.066 9.645 1.942 1.00 0.00 H new ATOM 0 HA ARG A 112 6.607 10.922 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.913 11.735 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.741 12.885 2.676 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.535 11.809 0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.103 12.522 -0.084 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.640 14.457 1.718 1.00 0.00 H new ATOM 0 HD3 ARG A 112 7.262 13.815 1.548 1.00 0.00 H new ATOM 0 HE ARG A 112 6.594 14.117 -1.060 1.00 0.00 H new ATOM 0 HH11 ARG A 112 6.157 16.243 1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.267 17.719 0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 112 6.732 16.018 -2.289 1.00 0.00 H new ATOM 0 HH22 ARG A 112 6.591 17.592 -1.500 1.00 0.00 H new ATOM 1688 N ASN A 113 5.484 10.010 5.017 1.00 0.00 N ATOM 1689 CA ASN A 113 5.232 10.027 6.452 1.00 0.00 C ATOM 1690 C ASN A 113 6.165 9.068 7.179 1.00 0.00 C ATOM 1691 O ASN A 113 6.910 9.467 8.074 1.00 0.00 O ATOM 1692 CB ASN A 113 3.776 9.655 6.741 1.00 0.00 C ATOM 1693 CG ASN A 113 2.937 10.860 7.118 1.00 0.00 C ATOM 1694 OD1 ASN A 113 2.347 11.514 6.258 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.879 11.160 8.411 1.00 0.00 N ATOM 0 H ASN A 113 5.890 9.141 4.670 1.00 0.00 H new ATOM 0 HA ASN A 113 5.421 11.037 6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.345 9.176 5.862 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.744 8.925 7.550 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.329 11.960 8.725 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.384 10.590 9.090 1.00 0.00 H new ATOM 1702 N ARG A 114 6.107 7.800 6.794 1.00 0.00 N ATOM 1703 CA ARG A 114 6.933 6.774 7.415 1.00 0.00 C ATOM 1704 C ARG A 114 7.953 6.196 6.438 1.00 0.00 C ATOM 1705 O ARG A 114 8.667 5.249 6.768 1.00 0.00 O ATOM 1706 CB ARG A 114 6.047 5.656 7.954 1.00 0.00 C ATOM 1707 CG ARG A 114 5.612 5.861 9.395 1.00 0.00 C ATOM 1708 CD ARG A 114 4.130 6.187 9.488 1.00 0.00 C ATOM 1709 NE ARG A 114 3.810 6.943 10.697 1.00 0.00 N ATOM 1710 CZ ARG A 114 2.990 6.503 11.646 1.00 0.00 C ATOM 1711 NH1 ARG A 114 2.408 5.317 11.528 1.00 0.00 N ATOM 1712 NH2 ARG A 114 2.751 7.250 12.715 1.00 0.00 N ATOM 0 H ARG A 114 5.495 7.457 6.053 1.00 0.00 H new ATOM 0 HA ARG A 114 7.483 7.241 8.232 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.161 5.572 7.325 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.584 4.710 7.877 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.825 4.961 9.972 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.192 6.669 9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.829 6.761 8.611 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.554 5.262 9.476 1.00 0.00 H new ATOM 0 HE ARG A 114 4.240 7.860 10.819 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.589 4.739 10.707 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.779 4.983 12.258 1.00 0.00 H new ATOM 0 HH21 ARG A 114 3.196 8.163 12.809 1.00 0.00 H new ATOM 0 HH22 ARG A 114 2.122 6.912 13.443 1.00 0.00 H new ATOM 1726 N CYS A 115 8.014 6.756 5.235 1.00 0.00 N ATOM 1727 CA CYS A 115 8.946 6.271 4.224 1.00 0.00 C ATOM 1728 C CYS A 115 10.025 7.302 3.910 1.00 0.00 C ATOM 1729 O CYS A 115 11.214 6.983 3.910 1.00 0.00 O ATOM 1730 CB CYS A 115 8.194 5.897 2.949 1.00 0.00 C ATOM 1731 SG CYS A 115 7.325 4.302 3.048 1.00 0.00 S ATOM 0 H CYS A 115 7.434 7.540 4.937 1.00 0.00 H new ATOM 0 HA CYS A 115 9.438 5.386 4.627 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.471 6.680 2.722 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.900 5.864 2.119 1.00 0.00 H new ATOM 1736 N LYS A 116 9.608 8.532 3.636 1.00 0.00 N ATOM 1737 CA LYS A 116 10.547 9.602 3.313 1.00 0.00 C ATOM 1738 C LYS A 116 11.497 9.867 4.476 1.00 0.00 C ATOM 1739 O LYS A 116 11.211 10.683 5.352 1.00 0.00 O ATOM 1740 CB LYS A 116 9.789 10.882 2.957 1.00 0.00 C ATOM 1741 CG LYS A 116 10.631 11.897 2.202 1.00 0.00 C ATOM 1742 CD LYS A 116 10.429 13.303 2.744 1.00 0.00 C ATOM 1743 CE LYS A 116 10.556 14.346 1.646 1.00 0.00 C ATOM 1744 NZ LYS A 116 11.935 14.903 1.566 1.00 0.00 N ATOM 0 H LYS A 116 8.628 8.814 3.631 1.00 0.00 H new ATOM 0 HA LYS A 116 11.137 9.284 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.919 10.623 2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.417 11.341 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.684 11.625 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.370 11.873 1.144 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.445 13.378 3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 116 11.164 13.503 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.289 13.899 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.848 15.154 1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 11.980 15.611 0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.181 15.352 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.608 14.136 1.366 1.00 0.00 H new ATOM 1758 N GLY A 117 12.633 9.174 4.476 1.00 0.00 N ATOM 1759 CA GLY A 117 13.609 9.356 5.534 1.00 0.00 C ATOM 1760 C GLY A 117 14.159 8.045 6.063 1.00 0.00 C ATOM 1761 O GLY A 117 14.911 8.035 7.038 1.00 0.00 O ATOM 0 H GLY A 117 12.893 8.492 3.764 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.432 9.965 5.161 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.150 9.908 6.354 1.00 0.00 H new ATOM 1765 N THR A 118 13.789 6.937 5.427 1.00 0.00 N ATOM 1766 CA THR A 118 14.258 5.622 5.850 1.00 0.00 C ATOM 1767 C THR A 118 15.032 4.930 4.730 1.00 0.00 C ATOM 1768 O THR A 118 15.568 5.587 3.838 1.00 0.00 O ATOM 1769 CB THR A 118 13.086 4.723 6.287 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.156 4.571 5.207 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.374 5.312 7.496 1.00 0.00 C ATOM 0 H THR A 118 13.167 6.924 4.619 1.00 0.00 H new ATOM 0 HA THR A 118 14.921 5.778 6.701 1.00 0.00 H new ATOM 0 HB THR A 118 13.488 3.747 6.561 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.829 5.452 4.930 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.550 4.660 7.786 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.077 5.400 8.325 1.00 0.00 H new ATOM 0 HG23 THR A 118 11.985 6.298 7.244 1.00 0.00 H new ATOM 1779 N ASP A 119 15.089 3.600 4.782 1.00 0.00 N ATOM 1780 CA ASP A 119 15.800 2.828 3.769 1.00 0.00 C ATOM 1781 C ASP A 119 14.872 1.864 3.042 1.00 0.00 C ATOM 1782 O ASP A 119 14.627 0.749 3.503 1.00 0.00 O ATOM 1783 CB ASP A 119 16.944 2.070 4.393 1.00 0.00 C ATOM 1784 CG ASP A 119 18.101 1.869 3.434 1.00 0.00 C ATOM 1785 OD1 ASP A 119 17.916 1.167 2.418 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.194 2.412 3.700 1.00 0.00 O ATOM 0 H ASP A 119 14.652 3.038 5.513 1.00 0.00 H new ATOM 0 HA ASP A 119 16.193 3.533 3.036 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.295 2.609 5.273 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.588 1.099 4.736 1.00 0.00 H new ATOM 1791 N VAL A 120 14.362 2.308 1.901 1.00 0.00 N ATOM 1792 CA VAL A 120 13.459 1.503 1.091 1.00 0.00 C ATOM 1793 C VAL A 120 14.199 0.339 0.446 1.00 0.00 C ATOM 1794 O VAL A 120 13.669 -0.768 0.349 1.00 0.00 O ATOM 1795 CB VAL A 120 12.790 2.349 -0.009 1.00 0.00 C ATOM 1796 CG1 VAL A 120 11.881 3.401 0.607 1.00 0.00 C ATOM 1797 CG2 VAL A 120 13.838 2.999 -0.900 1.00 0.00 C ATOM 0 H VAL A 120 14.561 3.230 1.513 1.00 0.00 H new ATOM 0 HA VAL A 120 12.688 1.116 1.758 1.00 0.00 H new ATOM 0 HB VAL A 120 12.181 1.689 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.417 3.989 -0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.106 2.912 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.467 4.057 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.344 3.592 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.477 3.646 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.445 2.226 -1.371 1.00 0.00 H new ATOM 1807 N GLN A 121 15.432 0.593 0.017 1.00 0.00 N ATOM 1808 CA GLN A 121 16.247 -0.443 -0.603 1.00 0.00 C ATOM 1809 C GLN A 121 16.445 -1.593 0.374 1.00 0.00 C ATOM 1810 O GLN A 121 16.700 -2.730 -0.024 1.00 0.00 O ATOM 1811 CB GLN A 121 17.602 0.125 -1.029 1.00 0.00 C ATOM 1812 CG GLN A 121 17.750 0.276 -2.535 1.00 0.00 C ATOM 1813 CD GLN A 121 18.729 1.370 -2.917 1.00 0.00 C ATOM 1814 OE1 GLN A 121 19.837 1.440 -2.387 1.00 0.00 O ATOM 1815 NE2 GLN A 121 18.320 2.232 -3.842 1.00 0.00 N ATOM 0 H GLN A 121 15.886 1.504 0.088 1.00 0.00 H new ATOM 0 HA GLN A 121 15.733 -0.811 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 121 17.743 1.098 -0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.393 -0.526 -0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.084 -0.670 -2.960 1.00 0.00 H new ATOM 0 HG3 GLN A 121 16.776 0.496 -2.972 1.00 0.00 H new ATOM 0 HE21 GLN A 121 17.392 2.135 -4.255 1.00 0.00 H new ATOM 0 HE22 GLN A 121 18.934 2.990 -4.139 1.00 0.00 H new ATOM 1824 N ALA A 122 16.314 -1.281 1.660 1.00 0.00 N ATOM 1825 CA ALA A 122 16.462 -2.273 2.711 1.00 0.00 C ATOM 1826 C ALA A 122 15.121 -2.923 3.033 1.00 0.00 C ATOM 1827 O ALA A 122 15.072 -4.017 3.595 1.00 0.00 O ATOM 1828 CB ALA A 122 17.058 -1.637 3.959 1.00 0.00 C ATOM 0 H ALA A 122 16.104 -0.341 1.997 1.00 0.00 H new ATOM 0 HA ALA A 122 17.141 -3.049 2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.163 -2.392 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.037 -1.221 3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.401 -0.842 4.311 1.00 0.00 H new ATOM 1834 N TRP A 123 14.031 -2.242 2.676 1.00 0.00 N ATOM 1835 CA TRP A 123 12.691 -2.764 2.933 1.00 0.00 C ATOM 1836 C TRP A 123 12.464 -4.096 2.219 1.00 0.00 C ATOM 1837 O TRP A 123 11.528 -4.827 2.540 1.00 0.00 O ATOM 1838 CB TRP A 123 11.627 -1.755 2.496 1.00 0.00 C ATOM 1839 CG TRP A 123 11.225 -0.804 3.583 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.136 0.553 3.488 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.855 -1.137 4.928 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.736 1.082 4.691 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.559 0.060 5.586 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.745 -2.329 5.638 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.163 0.091 6.916 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.352 -2.298 6.958 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.063 -1.092 7.586 1.00 0.00 C ATOM 0 H TRP A 123 14.050 -1.334 2.211 1.00 0.00 H new ATOM 0 HA TRP A 123 12.606 -2.932 4.007 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.004 -1.186 1.647 1.00 0.00 H new ATOM 0 HB3 TRP A 123 10.745 -2.295 2.151 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.349 1.127 2.598 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.594 2.073 4.886 1.00 0.00 H new ATOM 0 HE3 TRP A 123 10.966 -3.271 5.158 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.940 1.027 7.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.267 -3.222 7.511 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.754 -1.092 8.621 1.00 0.00 H new ATOM 1858 N ILE A 124 13.329 -4.410 1.258 1.00 0.00 N ATOM 1859 CA ILE A 124 13.220 -5.659 0.512 1.00 0.00 C ATOM 1860 C ILE A 124 14.393 -6.581 0.817 1.00 0.00 C ATOM 1861 O ILE A 124 14.730 -7.461 0.025 1.00 0.00 O ATOM 1862 CB ILE A 124 13.150 -5.417 -1.006 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.039 -4.237 -1.405 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.711 -5.182 -1.443 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.147 -4.612 -2.364 1.00 0.00 C ATOM 0 H ILE A 124 14.111 -3.818 0.979 1.00 0.00 H new ATOM 0 HA ILE A 124 12.292 -6.133 0.831 1.00 0.00 H new ATOM 0 HB ILE A 124 13.520 -6.307 -1.514 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.420 -3.465 -1.862 1.00 0.00 H new ATOM 0 HG13 ILE A 124 14.478 -3.804 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.681 -5.013 -2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.108 -6.056 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.312 -4.309 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.736 -3.727 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.789 -5.362 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.715 -5.018 -3.279 1.00 0.00 H new ATOM 1877 N ARG A 125 15.008 -6.375 1.978 1.00 0.00 N ATOM 1878 CA ARG A 125 16.141 -7.190 2.398 1.00 0.00 C ATOM 1879 C ARG A 125 15.690 -8.610 2.718 1.00 0.00 C ATOM 1880 O ARG A 125 15.337 -8.919 3.857 1.00 0.00 O ATOM 1881 CB ARG A 125 16.820 -6.568 3.621 1.00 0.00 C ATOM 1882 CG ARG A 125 18.229 -7.084 3.862 1.00 0.00 C ATOM 1883 CD ARG A 125 18.698 -6.784 5.277 1.00 0.00 C ATOM 1884 NE ARG A 125 17.836 -7.399 6.282 1.00 0.00 N ATOM 1885 CZ ARG A 125 18.247 -8.331 7.137 1.00 0.00 C ATOM 1886 NH1 ARG A 125 19.505 -8.753 7.109 1.00 0.00 N ATOM 1887 NH2 ARG A 125 17.401 -8.842 8.021 1.00 0.00 N ATOM 0 H ARG A 125 14.740 -5.650 2.644 1.00 0.00 H new ATOM 0 HA ARG A 125 16.858 -7.228 1.578 1.00 0.00 H new ATOM 0 HB2 ARG A 125 16.855 -5.486 3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 125 16.213 -6.767 4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.258 -8.160 3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.912 -6.627 3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.718 -7.145 5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 125 18.720 -5.705 5.430 1.00 0.00 H new ATOM 0 HE ARG A 125 16.863 -7.097 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.159 -8.362 6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 125 19.818 -9.468 7.766 1.00 0.00 H new ATOM 0 HH21 ARG A 125 16.433 -8.520 8.046 1.00 0.00 H new ATOM 0 HH22 ARG A 125 17.718 -9.557 8.676 1.00 0.00 H new ATOM 1901 N GLY A 126 15.699 -9.468 1.704 1.00 0.00 N ATOM 1902 CA GLY A 126 15.285 -10.845 1.894 1.00 0.00 C ATOM 1903 C GLY A 126 14.820 -11.497 0.606 1.00 0.00 C ATOM 1904 O GLY A 126 14.632 -12.713 0.553 1.00 0.00 O ATOM 0 H GLY A 126 15.986 -9.234 0.754 1.00 0.00 H new ATOM 0 HA2 GLY A 126 16.116 -11.417 2.307 1.00 0.00 H new ATOM 0 HA3 GLY A 126 14.479 -10.880 2.627 1.00 0.00 H new ATOM 1908 N CYS A 127 14.639 -10.691 -0.438 1.00 0.00 N ATOM 1909 CA CYS A 127 14.201 -11.199 -1.727 1.00 0.00 C ATOM 1910 C CYS A 127 15.241 -10.913 -2.802 1.00 0.00 C ATOM 1911 O CYS A 127 16.009 -9.956 -2.700 1.00 0.00 O ATOM 1912 CB CYS A 127 12.878 -10.577 -2.115 1.00 0.00 C ATOM 1913 SG CYS A 127 11.827 -10.112 -0.702 1.00 0.00 S ATOM 0 H CYS A 127 14.790 -9.683 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 127 14.076 -12.278 -1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.070 -9.689 -2.718 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.331 -11.278 -2.745 1.00 0.00 H new ATOM 1918 N ARG A 128 15.257 -11.748 -3.833 1.00 0.00 N ATOM 1919 CA ARG A 128 16.200 -11.587 -4.933 1.00 0.00 C ATOM 1920 C ARG A 128 15.684 -12.292 -6.177 1.00 0.00 C ATOM 1921 O ARG A 128 16.338 -13.181 -6.724 1.00 0.00 O ATOM 1922 CB ARG A 128 17.575 -12.136 -4.546 1.00 0.00 C ATOM 1923 CG ARG A 128 18.733 -11.296 -5.062 1.00 0.00 C ATOM 1924 CD ARG A 128 19.292 -11.860 -6.359 1.00 0.00 C ATOM 1925 NE ARG A 128 20.652 -11.394 -6.615 1.00 0.00 N ATOM 1926 CZ ARG A 128 21.362 -11.743 -7.684 1.00 0.00 C ATOM 1927 NH1 ARG A 128 20.843 -12.557 -8.593 1.00 0.00 N ATOM 1928 NH2 ARG A 128 22.593 -11.276 -7.845 1.00 0.00 N ATOM 0 H ARG A 128 14.627 -12.544 -3.931 1.00 0.00 H new ATOM 0 HA ARG A 128 16.300 -10.523 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 128 17.639 -12.200 -3.460 1.00 0.00 H new ATOM 0 HB3 ARG A 128 17.673 -13.151 -4.931 1.00 0.00 H new ATOM 0 HG2 ARG A 128 18.398 -10.271 -5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 128 19.521 -11.259 -4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 128 19.284 -12.949 -6.314 1.00 0.00 H new ATOM 0 HD3 ARG A 128 18.647 -11.570 -7.188 1.00 0.00 H new ATOM 0 HE ARG A 128 21.081 -10.766 -5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 128 19.896 -12.918 -8.474 1.00 0.00 H new ATOM 0 HH12 ARG A 128 21.390 -12.823 -9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 128 22.996 -10.649 -7.149 1.00 0.00 H new ATOM 0 HH22 ARG A 128 23.137 -11.544 -8.665 1.00 0.00 H new ATOM 1942 N LEU A 129 14.497 -11.894 -6.609 1.00 0.00 N ATOM 1943 CA LEU A 129 13.861 -12.480 -7.780 1.00 0.00 C ATOM 1944 C LEU A 129 14.134 -11.646 -9.027 1.00 0.00 C ATOM 1945 O LEU A 129 14.584 -10.490 -8.879 1.00 0.00 O ATOM 1946 CB LEU A 129 12.352 -12.596 -7.544 1.00 0.00 C ATOM 1947 CG LEU A 129 11.900 -12.288 -6.111 1.00 0.00 C ATOM 1948 CD1 LEU A 129 11.695 -10.791 -5.923 1.00 0.00 C ATOM 1949 CD2 LEU A 129 10.627 -13.048 -5.776 1.00 0.00 C ATOM 1950 OXT LEU A 129 13.898 -12.156 -10.142 1.00 0.00 O ATOM 0 H LEU A 129 13.949 -11.159 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 129 14.281 -13.473 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.839 -11.918 -8.226 1.00 0.00 H new ATOM 0 HB3 LEU A 129 12.035 -13.607 -7.801 1.00 0.00 H new ATOM 0 HG LEU A 129 12.684 -12.615 -5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 129 11.375 -10.593 -4.900 1.00 0.00 H new ATOM 0 HD12 LEU A 129 12.632 -10.268 -6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.932 -10.438 -6.617 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.323 -12.816 -4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.836 -12.755 -6.466 1.00 0.00 H new ATOM 0 HD23 LEU A 129 10.808 -14.119 -5.866 1.00 0.00 H new TER 1962 LEU A 129