USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 17 HIS : no HE2:sc= -11.1! C(o=-13!,f=-12!) USER MOD Set 1.2: A 30 TYR OH : rot 165:sc= -1.65! USER MOD Single : A 1 LYS N :NH3+ -162:sc= 0.00326 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0364 X(o=-0.036,f=-0.035) USER MOD Single : A 9 GLN : amide:sc= -0.321 X(o=-0.32,f=-0.042) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.006 USER MOD Single : A 33 ASN : amide:sc= -0.542 X(o=-0.54,f=-0.47) USER MOD Single : A 40 CYS SG : rot 44:sc= -1.09! USER MOD Single : A 42 THR OG1 : rot -133:sc= 0.663 USER MOD Single : A 47 TYR OH : rot -57:sc= -4.03! USER MOD Single : A 55 GLN : amide:sc=-0.00354 X(o=-0.0035,f=-0.11) USER MOD Single : A 58 GLN : amide:sc= -0.274 K(o=-0.27,f=-0.98) USER MOD Single : A 59 SER OG : rot -90:sc= -2.71! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -42:sc= -2.15! USER MOD Single : A 65 ASN : amide:sc= -4.28! C(o=-4.3!,f=-4.1!) USER MOD Single : A 69 SER OG : rot 172:sc= -3.74! USER MOD Single : A 72 GLN : amide:sc= -1.7! X(o=-1.7!,f=-1.6) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -121:sc= -1.13 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.314 4.146 8.181 1.00 0.00 N ATOM 2 CA LYS A 1 -7.296 4.144 9.269 1.00 0.00 C ATOM 3 C LYS A 1 -5.980 4.716 8.737 1.00 0.00 C ATOM 4 O LYS A 1 -5.913 5.235 7.639 1.00 0.00 O ATOM 5 CB LYS A 1 -7.069 2.710 9.754 1.00 0.00 C ATOM 6 CG LYS A 1 -7.031 2.688 11.284 1.00 0.00 C ATOM 7 CD LYS A 1 -7.096 1.241 11.776 1.00 0.00 C ATOM 8 CE LYS A 1 -5.711 0.802 12.257 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.855 -0.063 13.462 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.264 4.055 8.594 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.252 5.038 7.649 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.137 3.347 7.539 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.650 4.756 10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.866 2.061 9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.133 2.322 9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.118 3.164 11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.868 3.258 11.687 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -7.819 1.154 12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.438 0.588 10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.195 0.259 11.466 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.103 1.675 12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.914 -0.362 13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.331 0.470 14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.420 -0.902 13.221 1.00 0.00 H new ATOM 25 N LYS A 2 -4.933 4.626 9.509 1.00 0.00 N ATOM 26 CA LYS A 2 -3.623 5.165 9.049 1.00 0.00 C ATOM 27 C LYS A 2 -2.761 4.028 8.505 1.00 0.00 C ATOM 28 O LYS A 2 -2.712 2.949 9.062 1.00 0.00 O ATOM 29 CB LYS A 2 -2.892 5.816 10.221 1.00 0.00 C ATOM 30 CG LYS A 2 -2.866 7.334 10.037 1.00 0.00 C ATOM 31 CD LYS A 2 -1.786 7.936 10.939 1.00 0.00 C ATOM 32 CE LYS A 2 -0.509 8.166 10.128 1.00 0.00 C ATOM 33 NZ LYS A 2 0.056 9.504 10.462 1.00 0.00 N ATOM 0 H LYS A 2 -4.928 4.203 10.437 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.801 5.903 8.267 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.389 5.563 11.157 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.874 5.431 10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.665 7.582 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.839 7.758 10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.135 8.878 11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.582 7.267 11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.220 7.386 10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.727 8.107 9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 0.924 9.662 9.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -0.639 10.242 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.278 9.543 11.477 1.00 0.00 H new ATOM 47 N ALA A 3 -2.068 4.268 7.430 1.00 0.00 N ATOM 48 CA ALA A 3 -1.192 3.209 6.856 1.00 0.00 C ATOM 49 C ALA A 3 0.189 3.797 6.581 1.00 0.00 C ATOM 50 O ALA A 3 0.362 4.626 5.713 1.00 0.00 O ATOM 51 CB ALA A 3 -1.795 2.685 5.554 1.00 0.00 C ATOM 0 H ALA A 3 -2.069 5.153 6.922 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.107 2.385 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.149 1.911 5.140 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.782 2.267 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.885 3.503 4.839 1.00 0.00 H new ATOM 57 N VAL A 4 1.171 3.377 7.323 1.00 0.00 N ATOM 58 CA VAL A 4 2.545 3.915 7.124 1.00 0.00 C ATOM 59 C VAL A 4 3.415 2.866 6.432 1.00 0.00 C ATOM 60 O VAL A 4 3.652 1.799 6.961 1.00 0.00 O ATOM 61 CB VAL A 4 3.145 4.252 8.488 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.391 5.121 8.304 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.103 5.007 9.319 1.00 0.00 C ATOM 0 H VAL A 4 1.082 2.681 8.063 1.00 0.00 H new ATOM 0 HA VAL A 4 2.503 4.810 6.503 1.00 0.00 H new ATOM 0 HB VAL A 4 3.428 3.334 9.002 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.816 5.359 9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.127 4.580 7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.119 6.044 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.523 5.251 10.295 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.823 5.926 8.804 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.220 4.382 9.451 1.00 0.00 H new ATOM 73 N ILE A 5 3.903 3.160 5.257 1.00 0.00 N ATOM 74 CA ILE A 5 4.762 2.167 4.555 1.00 0.00 C ATOM 75 C ILE A 5 6.220 2.404 4.936 1.00 0.00 C ATOM 76 O ILE A 5 6.901 3.227 4.356 1.00 0.00 O ATOM 77 CB ILE A 5 4.599 2.300 3.042 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.093 2.343 2.706 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.291 1.110 2.362 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.738 1.346 1.593 1.00 0.00 C ATOM 0 H ILE A 5 3.746 4.036 4.758 1.00 0.00 H new ATOM 0 HA ILE A 5 4.461 1.162 4.852 1.00 0.00 H new ATOM 0 HB ILE A 5 5.060 3.219 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.513 2.114 3.600 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.817 3.351 2.396 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.181 1.194 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.350 1.109 2.620 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.834 0.181 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.670 1.402 1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.300 1.591 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.991 0.336 1.915 1.00 0.00 H new ATOM 92 N ASN A 6 6.698 1.687 5.912 1.00 0.00 N ATOM 93 CA ASN A 6 8.104 1.853 6.348 1.00 0.00 C ATOM 94 C ASN A 6 9.023 1.090 5.391 1.00 0.00 C ATOM 95 O ASN A 6 9.251 -0.094 5.545 1.00 0.00 O ATOM 96 CB ASN A 6 8.241 1.288 7.759 1.00 0.00 C ATOM 97 CG ASN A 6 7.104 1.821 8.633 1.00 0.00 C ATOM 98 OD1 ASN A 6 7.105 2.974 9.016 1.00 0.00 O ATOM 99 ND2 ASN A 6 6.126 1.023 8.968 1.00 0.00 N ATOM 0 H ASN A 6 6.167 0.987 6.429 1.00 0.00 H new ATOM 0 HA ASN A 6 8.382 2.907 6.343 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.213 0.199 7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.204 1.571 8.184 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.363 1.368 9.551 1.00 0.00 H new ATOM 0 HD22 ASN A 6 6.125 0.055 8.647 1.00 0.00 H new ATOM 106 N GLY A 7 9.545 1.756 4.397 1.00 0.00 N ATOM 107 CA GLY A 7 10.440 1.068 3.424 1.00 0.00 C ATOM 108 C GLY A 7 11.679 0.529 4.142 1.00 0.00 C ATOM 109 O GLY A 7 12.166 -0.542 3.838 1.00 0.00 O ATOM 0 H GLY A 7 9.390 2.748 4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.905 0.250 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.738 1.762 2.638 1.00 0.00 H new ATOM 113 N GLU A 8 12.198 1.262 5.088 1.00 0.00 N ATOM 114 CA GLU A 8 13.409 0.788 5.815 1.00 0.00 C ATOM 115 C GLU A 8 13.169 -0.627 6.352 1.00 0.00 C ATOM 116 O GLU A 8 14.096 -1.374 6.591 1.00 0.00 O ATOM 117 CB GLU A 8 13.710 1.735 6.980 1.00 0.00 C ATOM 118 CG GLU A 8 12.516 1.768 7.935 1.00 0.00 C ATOM 119 CD GLU A 8 12.877 2.587 9.176 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.058 2.723 9.449 1.00 0.00 O ATOM 121 OE2 GLU A 8 11.966 3.065 9.832 1.00 0.00 O ATOM 0 H GLU A 8 11.837 2.167 5.389 1.00 0.00 H new ATOM 0 HA GLU A 8 14.257 0.773 5.131 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.603 1.404 7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.916 2.737 6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.651 2.205 7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.239 0.754 8.223 1.00 0.00 H new ATOM 128 N GLN A 9 11.933 -1.000 6.548 1.00 0.00 N ATOM 129 CA GLN A 9 11.641 -2.365 7.072 1.00 0.00 C ATOM 130 C GLN A 9 11.462 -3.344 5.911 1.00 0.00 C ATOM 131 O GLN A 9 12.040 -4.413 5.891 1.00 0.00 O ATOM 132 CB GLN A 9 10.354 -2.327 7.899 1.00 0.00 C ATOM 133 CG GLN A 9 10.553 -1.422 9.115 1.00 0.00 C ATOM 134 CD GLN A 9 11.364 -2.165 10.178 1.00 0.00 C ATOM 135 OE1 GLN A 9 10.806 -2.823 11.034 1.00 0.00 O ATOM 136 NE2 GLN A 9 12.666 -2.088 10.160 1.00 0.00 N ATOM 0 H GLN A 9 11.114 -0.419 6.368 1.00 0.00 H new ATOM 0 HA GLN A 9 12.473 -2.693 7.695 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.529 -1.958 7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.087 -3.333 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.070 -0.509 8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 9 9.587 -1.124 9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 9 13.134 -1.536 9.442 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.216 -2.580 10.864 1.00 0.00 H new ATOM 145 N ILE A 10 10.652 -2.994 4.955 1.00 0.00 N ATOM 146 CA ILE A 10 10.409 -3.898 3.802 1.00 0.00 C ATOM 147 C ILE A 10 11.715 -4.472 3.263 1.00 0.00 C ATOM 148 O ILE A 10 12.736 -3.815 3.210 1.00 0.00 O ATOM 149 CB ILE A 10 9.711 -3.109 2.705 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.247 -2.943 3.078 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.808 -3.844 1.363 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.601 -2.032 2.057 1.00 0.00 C ATOM 0 H ILE A 10 10.143 -2.111 4.923 1.00 0.00 H new ATOM 0 HA ILE A 10 9.787 -4.730 4.133 1.00 0.00 H new ATOM 0 HB ILE A 10 10.193 -2.137 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.747 -3.911 3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.155 -2.519 4.078 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.302 -3.262 0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.856 -3.971 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.334 -4.822 1.449 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.548 -1.898 2.304 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.102 -1.064 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.687 -2.477 1.066 1.00 0.00 H new ATOM 164 N ARG A 11 11.661 -5.700 2.843 1.00 0.00 N ATOM 165 CA ARG A 11 12.851 -6.366 2.274 1.00 0.00 C ATOM 166 C ARG A 11 12.508 -6.855 0.863 1.00 0.00 C ATOM 167 O ARG A 11 13.364 -7.297 0.122 1.00 0.00 O ATOM 168 CB ARG A 11 13.214 -7.555 3.155 1.00 0.00 C ATOM 169 CG ARG A 11 13.977 -7.059 4.383 1.00 0.00 C ATOM 170 CD ARG A 11 15.454 -6.876 4.030 1.00 0.00 C ATOM 171 NE ARG A 11 16.285 -7.064 5.252 1.00 0.00 N ATOM 172 CZ ARG A 11 17.571 -7.256 5.143 1.00 0.00 C ATOM 173 NH1 ARG A 11 18.324 -6.339 4.600 1.00 0.00 N ATOM 174 NH2 ARG A 11 18.105 -8.364 5.579 1.00 0.00 N ATOM 0 H ARG A 11 10.822 -6.280 2.872 1.00 0.00 H new ATOM 0 HA ARG A 11 13.693 -5.675 2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.312 -8.084 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.824 -8.264 2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.556 -6.115 4.729 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.874 -7.773 5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.747 -7.594 3.264 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.619 -5.882 3.615 1.00 0.00 H new ATOM 0 HE ARG A 11 15.849 -7.043 6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.907 -5.472 4.261 1.00 0.00 H new ATOM 0 HH12 ARG A 11 19.329 -6.489 4.515 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.517 -9.080 6.005 1.00 0.00 H new ATOM 0 HH22 ARG A 11 19.110 -8.514 5.494 1.00 0.00 H new ATOM 188 N SER A 12 11.255 -6.778 0.488 1.00 0.00 N ATOM 189 CA SER A 12 10.847 -7.236 -0.869 1.00 0.00 C ATOM 190 C SER A 12 9.383 -6.856 -1.121 1.00 0.00 C ATOM 191 O SER A 12 8.673 -6.421 -0.228 1.00 0.00 O ATOM 192 CB SER A 12 11.001 -8.755 -0.961 1.00 0.00 C ATOM 193 OG SER A 12 9.766 -9.373 -0.627 1.00 0.00 O ATOM 0 H SER A 12 10.498 -6.416 1.067 1.00 0.00 H new ATOM 0 HA SER A 12 11.479 -6.759 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 12 11.303 -9.041 -1.968 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.785 -9.094 -0.284 1.00 0.00 H new ATOM 0 HG SER A 12 9.861 -10.347 -0.687 1.00 0.00 H new ATOM 199 N ILE A 13 8.921 -7.015 -2.332 1.00 0.00 N ATOM 200 CA ILE A 13 7.508 -6.662 -2.635 1.00 0.00 C ATOM 201 C ILE A 13 6.590 -7.361 -1.633 1.00 0.00 C ATOM 202 O ILE A 13 5.717 -6.750 -1.053 1.00 0.00 O ATOM 203 CB ILE A 13 7.154 -7.104 -4.056 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.793 -6.522 -4.451 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.085 -8.630 -4.112 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.741 -5.034 -4.091 1.00 0.00 C ATOM 0 H ILE A 13 9.460 -7.373 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 13 7.379 -5.582 -2.559 1.00 0.00 H new ATOM 0 HB ILE A 13 7.918 -6.746 -4.746 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.628 -6.653 -5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.995 -7.058 -3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.833 -8.946 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.052 -9.048 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.321 -8.985 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.771 -4.625 -4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.886 -4.914 -3.017 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.529 -4.503 -4.625 1.00 0.00 H new ATOM 218 N SER A 14 6.783 -8.635 -1.411 1.00 0.00 N ATOM 219 CA SER A 14 5.918 -9.346 -0.430 1.00 0.00 C ATOM 220 C SER A 14 5.856 -8.511 0.846 1.00 0.00 C ATOM 221 O SER A 14 4.801 -8.267 1.396 1.00 0.00 O ATOM 222 CB SER A 14 6.514 -10.720 -0.118 1.00 0.00 C ATOM 223 OG SER A 14 5.549 -11.504 0.573 1.00 0.00 O ATOM 0 H SER A 14 7.496 -9.208 -1.863 1.00 0.00 H new ATOM 0 HA SER A 14 4.917 -9.482 -0.840 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.811 -11.218 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.413 -10.610 0.489 1.00 0.00 H new ATOM 0 HG SER A 14 5.927 -12.386 0.773 1.00 0.00 H new ATOM 229 N ASP A 15 6.988 -8.056 1.307 1.00 0.00 N ATOM 230 CA ASP A 15 7.017 -7.219 2.530 1.00 0.00 C ATOM 231 C ASP A 15 6.118 -6.007 2.325 1.00 0.00 C ATOM 232 O ASP A 15 5.376 -5.610 3.200 1.00 0.00 O ATOM 233 CB ASP A 15 8.441 -6.733 2.775 1.00 0.00 C ATOM 234 CG ASP A 15 8.922 -7.213 4.145 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.225 -6.967 5.115 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.980 -7.819 4.201 1.00 0.00 O ATOM 0 H ASP A 15 7.899 -8.232 0.883 1.00 0.00 H new ATOM 0 HA ASP A 15 6.671 -7.805 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.103 -7.109 1.995 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.477 -5.645 2.727 1.00 0.00 H new ATOM 241 N LEU A 16 6.187 -5.414 1.168 1.00 0.00 N ATOM 242 CA LEU A 16 5.344 -4.219 0.889 1.00 0.00 C ATOM 243 C LEU A 16 3.880 -4.577 1.123 1.00 0.00 C ATOM 244 O LEU A 16 3.178 -3.941 1.887 1.00 0.00 O ATOM 245 CB LEU A 16 5.538 -3.804 -0.570 1.00 0.00 C ATOM 246 CG LEU A 16 4.872 -2.450 -0.827 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.359 -1.426 0.198 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.241 -1.969 -2.231 1.00 0.00 C ATOM 0 H LEU A 16 6.792 -5.706 0.401 1.00 0.00 H new ATOM 0 HA LEU A 16 5.630 -3.398 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.602 -3.744 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.111 -4.559 -1.230 1.00 0.00 H new ATOM 0 HG LEU A 16 3.791 -2.559 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.880 -0.465 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.104 -1.766 1.202 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.440 -1.315 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.770 -1.005 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.323 -1.865 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.893 -2.694 -2.967 1.00 0.00 H new ATOM 260 N HIS A 17 3.424 -5.601 0.469 1.00 0.00 N ATOM 261 CA HIS A 17 2.016 -6.035 0.629 1.00 0.00 C ATOM 262 C HIS A 17 1.779 -6.450 2.083 1.00 0.00 C ATOM 263 O HIS A 17 0.669 -6.431 2.574 1.00 0.00 O ATOM 264 CB HIS A 17 1.766 -7.220 -0.305 1.00 0.00 C ATOM 265 CG HIS A 17 2.076 -6.809 -1.719 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.412 -5.767 -2.347 1.00 0.00 N ATOM 267 CD2 HIS A 17 2.978 -7.286 -2.637 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.921 -5.651 -3.588 1.00 0.00 C ATOM 269 NE2 HIS A 17 2.879 -6.553 -3.816 1.00 0.00 N ATOM 0 H HIS A 17 3.975 -6.164 -0.179 1.00 0.00 H new ATOM 0 HA HIS A 17 1.334 -5.222 0.379 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.390 -8.065 -0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.729 -7.547 -0.228 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.672 -5.193 -1.943 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.661 -8.106 -2.470 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.594 -4.918 -4.311 1.00 0.00 H new ATOM 277 N GLN A 18 2.814 -6.819 2.782 1.00 0.00 N ATOM 278 CA GLN A 18 2.641 -7.226 4.196 1.00 0.00 C ATOM 279 C GLN A 18 2.263 -6.003 5.032 1.00 0.00 C ATOM 280 O GLN A 18 1.268 -5.999 5.731 1.00 0.00 O ATOM 281 CB GLN A 18 3.946 -7.824 4.722 1.00 0.00 C ATOM 282 CG GLN A 18 3.656 -9.170 5.389 1.00 0.00 C ATOM 283 CD GLN A 18 4.888 -10.070 5.284 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.136 -10.661 4.253 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.675 -10.199 6.317 1.00 0.00 N ATOM 0 H GLN A 18 3.771 -6.855 2.432 1.00 0.00 H new ATOM 0 HA GLN A 18 1.850 -7.973 4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.654 -7.956 3.904 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.408 -7.144 5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.391 -9.019 6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.802 -9.648 4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.466 -9.702 7.183 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.499 -10.797 6.259 1.00 0.00 H new ATOM 294 N THR A 19 3.052 -4.964 4.970 1.00 0.00 N ATOM 295 CA THR A 19 2.737 -3.752 5.762 1.00 0.00 C ATOM 296 C THR A 19 1.388 -3.201 5.288 1.00 0.00 C ATOM 297 O THR A 19 0.583 -2.747 6.072 1.00 0.00 O ATOM 298 CB THR A 19 3.869 -2.712 5.591 1.00 0.00 C ATOM 299 OG1 THR A 19 4.472 -2.478 6.856 1.00 0.00 O ATOM 300 CG2 THR A 19 3.331 -1.377 5.059 1.00 0.00 C ATOM 0 H THR A 19 3.899 -4.907 4.404 1.00 0.00 H new ATOM 0 HA THR A 19 2.666 -3.990 6.823 1.00 0.00 H new ATOM 0 HB THR A 19 4.589 -3.108 4.875 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.193 -1.821 6.758 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.154 -0.670 4.951 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.859 -1.535 4.089 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.597 -0.976 5.758 1.00 0.00 H new ATOM 308 N LEU A 20 1.137 -3.245 4.009 1.00 0.00 N ATOM 309 CA LEU A 20 -0.150 -2.740 3.483 1.00 0.00 C ATOM 310 C LEU A 20 -1.282 -3.597 4.039 1.00 0.00 C ATOM 311 O LEU A 20 -2.366 -3.133 4.300 1.00 0.00 O ATOM 312 CB LEU A 20 -0.134 -2.853 1.967 1.00 0.00 C ATOM 313 CG LEU A 20 0.819 -1.811 1.389 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.789 -1.898 -0.130 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.379 -0.413 1.832 1.00 0.00 C ATOM 0 H LEU A 20 1.777 -3.613 3.305 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.297 -1.701 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.180 -3.853 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.138 -2.703 1.570 1.00 0.00 H new ATOM 0 HG LEU A 20 1.831 -1.999 1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.468 -1.156 -0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.101 -2.894 -0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.223 -1.706 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.060 0.331 1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.632 -0.219 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.395 -0.354 2.920 1.00 0.00 H new ATOM 327 N LYS A 21 -1.018 -4.851 4.211 1.00 0.00 N ATOM 328 CA LYS A 21 -2.045 -5.784 4.750 1.00 0.00 C ATOM 329 C LYS A 21 -2.315 -5.444 6.214 1.00 0.00 C ATOM 330 O LYS A 21 -3.439 -5.460 6.665 1.00 0.00 O ATOM 331 CB LYS A 21 -1.531 -7.220 4.645 1.00 0.00 C ATOM 332 CG LYS A 21 -2.644 -8.193 5.036 1.00 0.00 C ATOM 333 CD LYS A 21 -2.199 -9.017 6.246 1.00 0.00 C ATOM 334 CE LYS A 21 -3.379 -9.841 6.764 1.00 0.00 C ATOM 335 NZ LYS A 21 -3.662 -9.469 8.178 1.00 0.00 N ATOM 0 H LYS A 21 -0.119 -5.283 3.999 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.967 -5.686 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.197 -7.424 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.669 -7.357 5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.556 -7.644 5.272 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.876 -8.852 4.199 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.376 -9.675 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.829 -8.358 7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.260 -9.663 6.147 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.151 -10.905 6.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.464 -10.029 8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.823 -9.660 8.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.897 -8.457 8.230 1.00 0.00 H new ATOM 349 N LYS A 22 -1.295 -5.126 6.963 1.00 0.00 N ATOM 350 CA LYS A 22 -1.511 -4.773 8.386 1.00 0.00 C ATOM 351 C LYS A 22 -2.323 -3.484 8.433 1.00 0.00 C ATOM 352 O LYS A 22 -3.412 -3.431 8.968 1.00 0.00 O ATOM 353 CB LYS A 22 -0.162 -4.551 9.069 1.00 0.00 C ATOM 354 CG LYS A 22 0.396 -5.891 9.551 1.00 0.00 C ATOM 355 CD LYS A 22 0.784 -5.781 11.027 1.00 0.00 C ATOM 356 CE LYS A 22 0.626 -7.146 11.700 1.00 0.00 C ATOM 357 NZ LYS A 22 -0.486 -7.086 12.689 1.00 0.00 N ATOM 0 H LYS A 22 -0.325 -5.097 6.648 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.040 -5.576 8.900 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.536 -4.084 8.374 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.278 -3.869 9.912 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.348 -6.676 9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.265 -6.171 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.814 -5.436 11.118 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.155 -5.043 11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.420 -7.911 10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.554 -7.428 12.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.594 -8.014 13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.271 -6.367 13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.370 -6.835 12.202 1.00 0.00 H new ATOM 371 N GLU A 23 -1.794 -2.450 7.847 1.00 0.00 N ATOM 372 CA GLU A 23 -2.502 -1.152 7.806 1.00 0.00 C ATOM 373 C GLU A 23 -3.919 -1.384 7.286 1.00 0.00 C ATOM 374 O GLU A 23 -4.893 -1.290 8.005 1.00 0.00 O ATOM 375 CB GLU A 23 -1.755 -0.235 6.838 1.00 0.00 C ATOM 376 CG GLU A 23 -0.320 -0.027 7.323 1.00 0.00 C ATOM 377 CD GLU A 23 0.550 0.423 6.149 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.259 0.021 5.034 1.00 0.00 O ATOM 379 OE2 GLU A 23 1.491 1.161 6.383 1.00 0.00 O ATOM 0 H GLU A 23 -0.884 -2.454 7.387 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.543 -0.702 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.751 -0.671 5.839 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.266 0.725 6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.297 0.721 8.116 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.071 -0.952 7.746 1.00 0.00 H new ATOM 386 N LEU A 24 -4.018 -1.699 6.028 1.00 0.00 N ATOM 387 CA LEU A 24 -5.337 -1.963 5.398 1.00 0.00 C ATOM 388 C LEU A 24 -6.063 -3.067 6.167 1.00 0.00 C ATOM 389 O LEU A 24 -7.255 -3.255 6.028 1.00 0.00 O ATOM 390 CB LEU A 24 -5.102 -2.423 3.957 1.00 0.00 C ATOM 391 CG LEU A 24 -4.517 -1.268 3.142 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.318 -1.772 2.336 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.581 -0.725 2.187 1.00 0.00 C ATOM 0 H LEU A 24 -3.222 -1.786 5.396 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.944 -1.058 5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.421 -3.274 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.040 -2.757 3.513 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.196 -0.474 3.816 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.899 -0.951 1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.559 -2.159 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.640 -2.566 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.163 0.098 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.903 -1.518 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.436 -0.367 2.760 1.00 0.00 H new ATOM 405 N ALA A 25 -5.351 -3.804 6.974 1.00 0.00 N ATOM 406 CA ALA A 25 -5.992 -4.898 7.745 1.00 0.00 C ATOM 407 C ALA A 25 -6.717 -5.842 6.786 1.00 0.00 C ATOM 408 O ALA A 25 -7.859 -6.201 6.993 1.00 0.00 O ATOM 409 CB ALA A 25 -6.978 -4.287 8.730 1.00 0.00 C ATOM 0 H ALA A 25 -4.349 -3.693 7.131 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.239 -5.467 8.290 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.457 -5.080 9.304 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.448 -3.618 9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.736 -3.725 8.185 1.00 0.00 H new ATOM 415 N LEU A 26 -6.052 -6.253 5.740 1.00 0.00 N ATOM 416 CA LEU A 26 -6.684 -7.180 4.762 1.00 0.00 C ATOM 417 C LEU A 26 -6.794 -8.571 5.398 1.00 0.00 C ATOM 418 O LEU A 26 -6.173 -8.833 6.408 1.00 0.00 O ATOM 419 CB LEU A 26 -5.809 -7.248 3.508 1.00 0.00 C ATOM 420 CG LEU A 26 -5.371 -5.837 3.112 1.00 0.00 C ATOM 421 CD1 LEU A 26 -4.448 -5.914 1.904 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.603 -4.998 2.762 1.00 0.00 C ATOM 0 H LEU A 26 -5.093 -5.984 5.521 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.679 -6.826 4.490 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.935 -7.872 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.362 -7.711 2.691 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.842 -5.373 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.135 -4.909 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.571 -6.510 2.154 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.977 -6.378 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.290 -3.993 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.133 -5.460 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.264 -4.943 3.627 1.00 0.00 H new ATOM 434 N PRO A 27 -7.584 -9.422 4.794 1.00 0.00 N ATOM 435 CA PRO A 27 -7.786 -10.791 5.300 1.00 0.00 C ATOM 436 C PRO A 27 -6.453 -11.535 5.372 1.00 0.00 C ATOM 437 O PRO A 27 -5.411 -10.998 5.052 1.00 0.00 O ATOM 438 CB PRO A 27 -8.713 -11.455 4.275 1.00 0.00 C ATOM 439 CG PRO A 27 -9.137 -10.370 3.253 1.00 0.00 C ATOM 440 CD PRO A 27 -8.335 -9.099 3.567 1.00 0.00 C ATOM 0 HA PRO A 27 -8.208 -10.801 6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.202 -12.276 3.772 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.588 -11.879 4.768 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.940 -10.705 2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.207 -10.175 3.323 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.663 -8.843 2.748 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.993 -8.243 3.719 1.00 0.00 H new ATOM 448 N GLU A 28 -6.481 -12.772 5.779 1.00 0.00 N ATOM 449 CA GLU A 28 -5.219 -13.554 5.860 1.00 0.00 C ATOM 450 C GLU A 28 -4.851 -14.034 4.459 1.00 0.00 C ATOM 451 O GLU A 28 -3.741 -14.458 4.206 1.00 0.00 O ATOM 452 CB GLU A 28 -5.424 -14.762 6.773 1.00 0.00 C ATOM 453 CG GLU A 28 -5.253 -14.337 8.233 1.00 0.00 C ATOM 454 CD GLU A 28 -3.857 -14.728 8.719 1.00 0.00 C ATOM 455 OE1 GLU A 28 -2.913 -14.524 7.973 1.00 0.00 O ATOM 456 OE2 GLU A 28 -3.754 -15.225 9.828 1.00 0.00 O ATOM 0 H GLU A 28 -7.323 -13.275 6.059 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.421 -12.931 6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.418 -15.182 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.706 -15.544 6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.394 -13.260 8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.012 -14.814 8.853 1.00 0.00 H new ATOM 463 N TYR A 29 -5.777 -13.961 3.542 1.00 0.00 N ATOM 464 CA TYR A 29 -5.481 -14.404 2.153 1.00 0.00 C ATOM 465 C TYR A 29 -5.132 -13.183 1.301 1.00 0.00 C ATOM 466 O TYR A 29 -5.132 -13.249 0.088 1.00 0.00 O ATOM 467 CB TYR A 29 -6.697 -15.121 1.554 1.00 0.00 C ATOM 468 CG TYR A 29 -7.973 -14.517 2.093 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.527 -15.001 3.283 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.603 -13.476 1.399 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.712 -14.445 3.781 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.787 -12.920 1.897 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.342 -13.404 3.088 1.00 0.00 C ATOM 474 OH TYR A 29 -11.510 -12.856 3.579 1.00 0.00 O ATOM 0 H TYR A 29 -6.724 -13.614 3.696 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.640 -15.097 2.169 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.678 -15.040 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.658 -16.183 1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.041 -15.804 3.818 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.175 -13.103 0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.140 -14.819 4.699 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.273 -12.117 1.362 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.815 -12.144 2.979 1.00 0.00 H new ATOM 484 N TYR A 30 -4.837 -12.071 1.934 1.00 0.00 N ATOM 485 CA TYR A 30 -4.479 -10.833 1.167 1.00 0.00 C ATOM 486 C TYR A 30 -3.665 -11.220 -0.070 1.00 0.00 C ATOM 487 O TYR A 30 -2.481 -11.481 0.012 1.00 0.00 O ATOM 488 CB TYR A 30 -3.641 -9.899 2.051 1.00 0.00 C ATOM 489 CG TYR A 30 -3.148 -8.726 1.229 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.966 -8.176 0.236 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.871 -8.188 1.460 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.513 -7.093 -0.526 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.417 -7.100 0.696 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.240 -6.554 -0.297 1.00 0.00 C ATOM 495 OH TYR A 30 -1.797 -5.487 -1.051 1.00 0.00 O ATOM 0 H TYR A 30 -4.829 -11.967 2.949 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.392 -10.322 0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.239 -9.542 2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.795 -10.442 2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.948 -8.588 0.057 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.238 -8.611 2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.146 -6.672 -1.293 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.436 -6.686 0.874 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.014 -5.085 -0.620 1.00 0.00 H new ATOM 505 N GLY A 31 -4.296 -11.271 -1.212 1.00 0.00 N ATOM 506 CA GLY A 31 -3.566 -11.653 -2.454 1.00 0.00 C ATOM 507 C GLY A 31 -2.203 -10.965 -2.480 1.00 0.00 C ATOM 508 O GLY A 31 -1.215 -11.543 -2.887 1.00 0.00 O ATOM 0 H GLY A 31 -5.287 -11.064 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.439 -12.735 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -4.146 -11.366 -3.331 1.00 0.00 H new ATOM 512 N GLU A 32 -2.146 -9.732 -2.053 1.00 0.00 N ATOM 513 CA GLU A 32 -0.852 -8.990 -2.051 1.00 0.00 C ATOM 514 C GLU A 32 -0.583 -8.433 -3.455 1.00 0.00 C ATOM 515 O GLU A 32 0.301 -7.626 -3.652 1.00 0.00 O ATOM 516 CB GLU A 32 0.284 -9.932 -1.593 1.00 0.00 C ATOM 517 CG GLU A 32 1.180 -10.346 -2.770 1.00 0.00 C ATOM 518 CD GLU A 32 2.140 -11.448 -2.319 1.00 0.00 C ATOM 519 OE1 GLU A 32 1.678 -12.556 -2.099 1.00 0.00 O ATOM 520 OE2 GLU A 32 3.322 -11.166 -2.202 1.00 0.00 O ATOM 0 H GLU A 32 -2.945 -9.204 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.900 -8.153 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.886 -9.435 -0.833 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.144 -10.821 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.568 -10.700 -3.600 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.742 -9.486 -3.133 1.00 0.00 H new ATOM 527 N ASN A 33 -1.344 -8.851 -4.429 1.00 0.00 N ATOM 528 CA ASN A 33 -1.130 -8.332 -5.813 1.00 0.00 C ATOM 529 C ASN A 33 -1.816 -6.973 -5.958 1.00 0.00 C ATOM 530 O ASN A 33 -2.381 -6.446 -5.020 1.00 0.00 O ATOM 531 CB ASN A 33 -1.694 -9.301 -6.872 1.00 0.00 C ATOM 532 CG ASN A 33 -2.312 -10.538 -6.214 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.607 -11.431 -5.787 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.611 -10.630 -6.114 1.00 0.00 N ATOM 0 H ASN A 33 -2.102 -9.526 -4.329 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.057 -8.234 -5.976 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.447 -8.790 -7.472 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.898 -9.606 -7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.032 -11.450 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -4.204 -9.881 -6.472 1.00 0.00 H new ATOM 541 N LEU A 34 -1.775 -6.410 -7.131 1.00 0.00 N ATOM 542 CA LEU A 34 -2.427 -5.089 -7.359 1.00 0.00 C ATOM 543 C LEU A 34 -3.935 -5.288 -7.457 1.00 0.00 C ATOM 544 O LEU A 34 -4.718 -4.484 -7.003 1.00 0.00 O ATOM 545 CB LEU A 34 -1.932 -4.517 -8.678 1.00 0.00 C ATOM 546 CG LEU A 34 -0.469 -4.099 -8.544 1.00 0.00 C ATOM 547 CD1 LEU A 34 0.042 -3.591 -9.894 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.352 -2.984 -7.504 1.00 0.00 C ATOM 0 H LEU A 34 -1.315 -6.810 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.188 -4.413 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.037 -5.260 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.540 -3.659 -8.964 1.00 0.00 H new ATOM 0 HG LEU A 34 0.127 -4.956 -8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.086 -3.293 -9.799 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.042 -4.384 -10.637 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.553 -2.734 -10.209 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.692 -2.685 -7.407 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.947 -2.127 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.717 -3.344 -6.542 1.00 0.00 H new ATOM 560 N ASP A 35 -4.332 -6.357 -8.071 1.00 0.00 N ATOM 561 CA ASP A 35 -5.779 -6.654 -8.238 1.00 0.00 C ATOM 562 C ASP A 35 -6.422 -6.904 -6.877 1.00 0.00 C ATOM 563 O ASP A 35 -7.559 -6.547 -6.638 1.00 0.00 O ATOM 564 CB ASP A 35 -5.913 -7.918 -9.072 1.00 0.00 C ATOM 565 CG ASP A 35 -5.621 -7.603 -10.540 1.00 0.00 C ATOM 566 OD1 ASP A 35 -6.466 -6.992 -11.173 1.00 0.00 O ATOM 567 OD2 ASP A 35 -4.559 -7.979 -11.007 1.00 0.00 O ATOM 0 H ASP A 35 -3.705 -7.054 -8.474 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.271 -5.810 -8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.222 -8.679 -8.709 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.919 -8.326 -8.971 1.00 0.00 H new ATOM 572 N ALA A 36 -5.704 -7.523 -5.984 1.00 0.00 N ATOM 573 CA ALA A 36 -6.282 -7.804 -4.639 1.00 0.00 C ATOM 574 C ALA A 36 -6.192 -6.545 -3.803 1.00 0.00 C ATOM 575 O ALA A 36 -7.167 -6.068 -3.261 1.00 0.00 O ATOM 576 CB ALA A 36 -5.496 -8.913 -3.948 1.00 0.00 C ATOM 0 H ALA A 36 -4.747 -7.846 -6.124 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.319 -8.120 -4.750 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.928 -9.108 -2.967 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.540 -9.820 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.457 -8.604 -3.832 1.00 0.00 H new ATOM 582 N LEU A 37 -5.021 -5.994 -3.714 1.00 0.00 N ATOM 583 CA LEU A 37 -4.847 -4.747 -2.936 1.00 0.00 C ATOM 584 C LEU A 37 -5.973 -3.798 -3.327 1.00 0.00 C ATOM 585 O LEU A 37 -6.683 -3.252 -2.501 1.00 0.00 O ATOM 586 CB LEU A 37 -3.498 -4.124 -3.298 1.00 0.00 C ATOM 587 CG LEU A 37 -3.489 -2.647 -2.900 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.472 -2.526 -1.375 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.246 -1.967 -3.479 1.00 0.00 C ATOM 0 H LEU A 37 -4.173 -6.356 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.874 -4.944 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.693 -4.653 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.316 -4.223 -4.368 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.383 -2.163 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.466 -1.473 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.359 -3.007 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.579 -3.012 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.241 -0.915 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.351 -2.452 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.259 -2.049 -4.566 1.00 0.00 H new ATOM 601 N TRP A 38 -6.131 -3.614 -4.600 1.00 0.00 N ATOM 602 CA TRP A 38 -7.192 -2.729 -5.105 1.00 0.00 C ATOM 603 C TRP A 38 -8.525 -3.238 -4.613 1.00 0.00 C ATOM 604 O TRP A 38 -9.288 -2.533 -3.988 1.00 0.00 O ATOM 605 CB TRP A 38 -7.208 -2.767 -6.627 1.00 0.00 C ATOM 606 CG TRP A 38 -8.297 -1.878 -7.098 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.569 -2.261 -7.285 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.239 -0.468 -7.412 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.307 -1.170 -7.714 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.522 -0.036 -7.806 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.200 0.463 -7.395 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.761 1.288 -8.172 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.424 1.787 -7.752 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.705 2.210 -8.143 1.00 0.00 C ATOM 0 H TRP A 38 -5.557 -4.050 -5.321 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.010 -1.712 -4.757 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.249 -2.438 -7.026 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.368 -3.785 -6.981 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.955 -3.257 -7.127 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.303 -1.200 -7.934 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.209 0.151 -7.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.750 1.600 -8.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.609 2.495 -7.729 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -8.876 3.240 -8.420 1.00 0.00 H new ATOM 625 N ASP A 39 -8.800 -4.472 -4.895 1.00 0.00 N ATOM 626 CA ASP A 39 -10.081 -5.064 -4.448 1.00 0.00 C ATOM 627 C ASP A 39 -10.307 -4.660 -2.996 1.00 0.00 C ATOM 628 O ASP A 39 -11.424 -4.561 -2.528 1.00 0.00 O ATOM 629 CB ASP A 39 -10.009 -6.584 -4.559 1.00 0.00 C ATOM 630 CG ASP A 39 -10.610 -7.029 -5.894 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.260 -6.441 -6.904 1.00 0.00 O ATOM 632 OD2 ASP A 39 -11.410 -7.951 -5.883 1.00 0.00 O ATOM 0 H ASP A 39 -8.190 -5.100 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.903 -4.708 -5.069 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.973 -6.916 -4.486 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.550 -7.045 -3.733 1.00 0.00 H new ATOM 637 N CYS A 40 -9.241 -4.409 -2.286 1.00 0.00 N ATOM 638 CA CYS A 40 -9.371 -3.992 -0.870 1.00 0.00 C ATOM 639 C CYS A 40 -9.763 -2.512 -0.818 1.00 0.00 C ATOM 640 O CYS A 40 -10.708 -2.136 -0.154 1.00 0.00 O ATOM 641 CB CYS A 40 -8.031 -4.192 -0.165 1.00 0.00 C ATOM 642 SG CYS A 40 -7.395 -5.846 -0.537 1.00 0.00 S ATOM 0 H CYS A 40 -8.284 -4.476 -2.631 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.136 -4.589 -0.374 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.319 -3.435 -0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.152 -4.071 0.911 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.553 -6.097 -1.803 1.00 0.00 H new ATOM 648 N LEU A 41 -9.044 -1.667 -1.512 1.00 0.00 N ATOM 649 CA LEU A 41 -9.373 -0.224 -1.497 1.00 0.00 C ATOM 650 C LEU A 41 -10.737 0.014 -2.149 1.00 0.00 C ATOM 651 O LEU A 41 -11.281 1.099 -2.088 1.00 0.00 O ATOM 652 CB LEU A 41 -8.315 0.532 -2.292 1.00 0.00 C ATOM 653 CG LEU A 41 -6.929 -0.041 -2.002 1.00 0.00 C ATOM 654 CD1 LEU A 41 -5.884 0.857 -2.643 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.701 -0.103 -0.490 1.00 0.00 C ATOM 0 H LEU A 41 -8.242 -1.923 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.400 0.125 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.530 0.461 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.341 1.590 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.852 -1.048 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.889 0.458 -2.443 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.049 0.896 -3.720 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.963 1.861 -2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.711 -0.512 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.772 0.900 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.458 -0.741 -0.034 1.00 0.00 H new ATOM 667 N THR A 42 -11.286 -0.979 -2.792 1.00 0.00 N ATOM 668 CA THR A 42 -12.590 -0.791 -3.462 1.00 0.00 C ATOM 669 C THR A 42 -13.634 -1.758 -2.895 1.00 0.00 C ATOM 670 O THR A 42 -14.571 -2.132 -3.572 1.00 0.00 O ATOM 671 CB THR A 42 -12.418 -1.034 -4.961 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.104 -2.401 -5.186 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.285 -0.149 -5.482 1.00 0.00 C ATOM 0 H THR A 42 -10.882 -1.912 -2.879 1.00 0.00 H new ATOM 0 HA THR A 42 -12.938 0.227 -3.287 1.00 0.00 H new ATOM 0 HB THR A 42 -13.342 -0.790 -5.485 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.350 -2.465 -5.809 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.155 -0.316 -6.551 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.531 0.898 -5.305 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.360 -0.398 -4.961 1.00 0.00 H new ATOM 681 N GLY A 43 -13.493 -2.162 -1.660 1.00 0.00 N ATOM 682 CA GLY A 43 -14.500 -3.096 -1.078 1.00 0.00 C ATOM 683 C GLY A 43 -13.909 -3.840 0.122 1.00 0.00 C ATOM 684 O GLY A 43 -13.975 -5.051 0.202 1.00 0.00 O ATOM 0 H GLY A 43 -12.734 -1.890 -1.036 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.385 -2.540 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.822 -3.811 -1.835 1.00 0.00 H new ATOM 688 N TRP A 44 -13.339 -3.134 1.060 1.00 0.00 N ATOM 689 CA TRP A 44 -12.759 -3.819 2.248 1.00 0.00 C ATOM 690 C TRP A 44 -12.138 -2.786 3.189 1.00 0.00 C ATOM 691 O TRP A 44 -12.609 -2.569 4.288 1.00 0.00 O ATOM 692 CB TRP A 44 -11.680 -4.798 1.789 1.00 0.00 C ATOM 693 CG TRP A 44 -11.162 -5.551 2.971 1.00 0.00 C ATOM 694 CD1 TRP A 44 -10.151 -5.140 3.769 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.611 -6.830 3.503 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.949 -6.087 4.756 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.826 -7.147 4.635 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.614 -7.737 3.116 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -11.027 -8.323 5.359 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.820 -8.921 3.842 1.00 0.00 C ATOM 701 CH2 TRP A 44 -12.028 -9.213 4.962 1.00 0.00 C ATOM 0 H TRP A 44 -13.250 -2.118 1.055 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.547 -4.358 2.774 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -12.090 -5.490 1.053 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.867 -4.259 1.302 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.593 -4.223 3.654 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -9.239 -6.012 5.484 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -13.229 -7.521 2.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.413 -8.543 6.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.593 -9.611 3.536 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -12.192 -10.125 5.517 1.00 0.00 H new ATOM 712 N VAL A 45 -11.079 -2.156 2.769 1.00 0.00 N ATOM 713 CA VAL A 45 -10.416 -1.147 3.634 1.00 0.00 C ATOM 714 C VAL A 45 -11.425 -0.075 4.044 1.00 0.00 C ATOM 715 O VAL A 45 -12.443 0.109 3.406 1.00 0.00 O ATOM 716 CB VAL A 45 -9.265 -0.495 2.867 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.475 0.415 3.808 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.341 -1.583 2.316 1.00 0.00 C ATOM 0 H VAL A 45 -10.642 -2.298 1.858 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.029 -1.638 4.527 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.666 0.095 2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.655 0.880 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.133 1.189 4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.074 -0.175 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.520 -1.120 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.941 -2.173 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.903 -2.233 1.645 1.00 0.00 H new ATOM 728 N GLU A 46 -11.151 0.639 5.101 1.00 0.00 N ATOM 729 CA GLU A 46 -12.095 1.700 5.543 1.00 0.00 C ATOM 730 C GLU A 46 -11.453 3.070 5.341 1.00 0.00 C ATOM 731 O GLU A 46 -10.323 3.306 5.721 1.00 0.00 O ATOM 732 CB GLU A 46 -12.438 1.507 7.018 1.00 0.00 C ATOM 733 CG GLU A 46 -13.224 0.208 7.183 1.00 0.00 C ATOM 734 CD GLU A 46 -14.627 0.379 6.597 1.00 0.00 C ATOM 735 OE1 GLU A 46 -14.769 0.220 5.396 1.00 0.00 O ATOM 736 OE2 GLU A 46 -15.535 0.665 7.359 1.00 0.00 O ATOM 0 H GLU A 46 -10.315 0.533 5.676 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.009 1.636 4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.526 1.473 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.025 2.350 7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.706 -0.609 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.290 -0.058 8.238 1.00 0.00 H new ATOM 743 N TYR A 47 -12.174 3.970 4.740 1.00 0.00 N ATOM 744 CA TYR A 47 -11.631 5.336 4.492 1.00 0.00 C ATOM 745 C TYR A 47 -12.445 6.346 5.316 1.00 0.00 C ATOM 746 O TYR A 47 -13.475 5.990 5.853 1.00 0.00 O ATOM 747 CB TYR A 47 -11.748 5.634 2.990 1.00 0.00 C ATOM 748 CG TYR A 47 -10.759 4.780 2.213 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.736 4.083 2.875 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.868 4.684 0.820 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.836 3.299 2.147 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.964 3.900 0.099 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.949 3.208 0.761 1.00 0.00 C ATOM 754 OH TYR A 47 -8.061 2.432 0.046 1.00 0.00 O ATOM 0 H TYR A 47 -13.126 3.819 4.406 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.585 5.406 4.789 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.763 5.431 2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.554 6.690 2.804 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.644 4.153 3.949 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.652 5.217 0.302 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.051 2.763 2.660 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.051 3.829 -0.975 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.146 2.734 0.224 1.00 0.00 H new ATOM 764 N PRO A 48 -11.971 7.572 5.420 1.00 0.00 N ATOM 765 CA PRO A 48 -10.718 8.046 4.781 1.00 0.00 C ATOM 766 C PRO A 48 -9.494 7.281 5.286 1.00 0.00 C ATOM 767 O PRO A 48 -9.336 7.038 6.466 1.00 0.00 O ATOM 768 CB PRO A 48 -10.610 9.525 5.180 1.00 0.00 C ATOM 769 CG PRO A 48 -11.826 9.865 6.076 1.00 0.00 C ATOM 770 CD PRO A 48 -12.680 8.596 6.207 1.00 0.00 C ATOM 0 HA PRO A 48 -10.746 7.894 3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.678 9.709 5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.599 10.160 4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.495 10.206 7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.409 10.675 5.638 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.779 8.293 7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.688 8.758 5.825 1.00 0.00 H new ATOM 778 N LEU A 49 -8.622 6.910 4.387 1.00 0.00 N ATOM 779 CA LEU A 49 -7.394 6.169 4.785 1.00 0.00 C ATOM 780 C LEU A 49 -6.182 7.061 4.538 1.00 0.00 C ATOM 781 O LEU A 49 -6.188 7.899 3.664 1.00 0.00 O ATOM 782 CB LEU A 49 -7.272 4.903 3.918 1.00 0.00 C ATOM 783 CG LEU A 49 -5.803 4.477 3.765 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.261 3.974 5.106 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.700 3.366 2.717 1.00 0.00 C ATOM 0 H LEU A 49 -8.710 7.091 3.387 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.446 5.893 5.838 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.844 4.092 4.370 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.704 5.089 2.935 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.213 5.335 3.444 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.220 3.674 4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.328 4.770 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.849 3.119 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.658 3.064 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.295 2.510 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.073 3.732 1.761 1.00 0.00 H new ATOM 797 N VAL A 50 -5.127 6.856 5.267 1.00 0.00 N ATOM 798 CA VAL A 50 -3.910 7.665 5.022 1.00 0.00 C ATOM 799 C VAL A 50 -2.822 6.706 4.533 1.00 0.00 C ATOM 800 O VAL A 50 -2.623 5.648 5.092 1.00 0.00 O ATOM 801 CB VAL A 50 -3.471 8.381 6.320 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.032 8.003 6.705 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.548 9.894 6.110 1.00 0.00 C ATOM 0 H VAL A 50 -5.055 6.168 6.017 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.099 8.437 4.276 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.138 8.071 7.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.752 8.522 7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.969 6.927 6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.353 8.292 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.239 10.404 7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.887 10.182 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.572 10.176 5.865 1.00 0.00 H new ATOM 813 N LEU A 51 -2.098 7.069 3.523 1.00 0.00 N ATOM 814 CA LEU A 51 -1.015 6.171 3.054 1.00 0.00 C ATOM 815 C LEU A 51 0.297 6.924 3.171 1.00 0.00 C ATOM 816 O LEU A 51 0.825 7.439 2.206 1.00 0.00 O ATOM 817 CB LEU A 51 -1.228 5.729 1.602 1.00 0.00 C ATOM 818 CG LEU A 51 -0.059 4.828 1.193 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.099 3.542 2.016 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.164 4.466 -0.287 1.00 0.00 C ATOM 0 H LEU A 51 -2.205 7.940 3.004 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.010 5.270 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.172 5.193 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.285 6.598 0.946 1.00 0.00 H new ATOM 0 HG LEU A 51 0.875 5.362 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.732 2.899 1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.018 3.785 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.040 3.023 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.673 3.825 -0.565 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.101 3.938 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.139 5.376 -0.887 1.00 0.00 H new ATOM 832 N GLU A 52 0.822 6.991 4.358 1.00 0.00 N ATOM 833 CA GLU A 52 2.099 7.705 4.567 1.00 0.00 C ATOM 834 C GLU A 52 3.226 6.796 4.087 1.00 0.00 C ATOM 835 O GLU A 52 3.871 6.111 4.859 1.00 0.00 O ATOM 836 CB GLU A 52 2.257 8.010 6.058 1.00 0.00 C ATOM 837 CG GLU A 52 3.608 8.684 6.306 1.00 0.00 C ATOM 838 CD GLU A 52 3.384 10.140 6.720 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.422 10.393 7.427 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.178 10.977 6.324 1.00 0.00 O ATOM 0 H GLU A 52 0.415 6.577 5.197 1.00 0.00 H new ATOM 0 HA GLU A 52 2.122 8.644 4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.449 8.659 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.187 7.089 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.154 8.153 7.086 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.219 8.641 5.404 1.00 0.00 H new ATOM 847 N TRP A 53 3.443 6.771 2.802 1.00 0.00 N ATOM 848 CA TRP A 53 4.501 5.901 2.237 1.00 0.00 C ATOM 849 C TRP A 53 5.875 6.468 2.597 1.00 0.00 C ATOM 850 O TRP A 53 6.341 7.416 1.997 1.00 0.00 O ATOM 851 CB TRP A 53 4.346 5.845 0.717 1.00 0.00 C ATOM 852 CG TRP A 53 4.939 4.574 0.210 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.226 4.200 0.388 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.300 3.503 -0.549 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.422 2.972 -0.212 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.268 2.502 -0.804 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.992 3.302 -1.040 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.955 1.347 -1.515 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.678 2.133 -1.760 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.659 1.163 -1.995 1.00 0.00 C ATOM 0 H TRP A 53 2.926 7.322 2.117 1.00 0.00 H new ATOM 0 HA TRP A 53 4.410 4.896 2.649 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.292 5.903 0.445 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.841 6.700 0.257 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.978 4.769 0.914 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.312 2.473 -0.217 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.230 4.047 -0.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.712 0.598 -1.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.675 1.984 -2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.412 0.270 -2.549 1.00 0.00 H new ATOM 871 N ARG A 54 6.528 5.898 3.573 1.00 0.00 N ATOM 872 CA ARG A 54 7.870 6.412 3.966 1.00 0.00 C ATOM 873 C ARG A 54 8.950 5.632 3.219 1.00 0.00 C ATOM 874 O ARG A 54 8.798 4.460 2.934 1.00 0.00 O ATOM 875 CB ARG A 54 8.064 6.239 5.473 1.00 0.00 C ATOM 876 CG ARG A 54 9.029 7.309 5.988 1.00 0.00 C ATOM 877 CD ARG A 54 9.196 7.162 7.501 1.00 0.00 C ATOM 878 NE ARG A 54 10.644 7.215 7.848 1.00 0.00 N ATOM 879 CZ ARG A 54 11.012 7.411 9.084 1.00 0.00 C ATOM 880 NH1 ARG A 54 10.162 7.223 10.056 1.00 0.00 N ATOM 881 NH2 ARG A 54 12.231 7.795 9.349 1.00 0.00 N ATOM 0 H ARG A 54 6.191 5.101 4.113 1.00 0.00 H new ATOM 0 HA ARG A 54 7.943 7.470 3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.106 6.321 5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.457 5.245 5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.995 7.210 5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.649 8.302 5.748 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.658 7.958 8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.765 6.218 7.835 1.00 0.00 H new ATOM 0 HE ARG A 54 11.348 7.098 7.119 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.209 6.923 9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.450 7.376 11.022 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.896 7.942 8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.519 7.948 10.316 1.00 0.00 H new ATOM 895 N GLN A 55 10.041 6.269 2.896 1.00 0.00 N ATOM 896 CA GLN A 55 11.125 5.557 2.165 1.00 0.00 C ATOM 897 C GLN A 55 10.522 4.824 0.965 1.00 0.00 C ATOM 898 O GLN A 55 10.271 3.638 1.014 1.00 0.00 O ATOM 899 CB GLN A 55 11.788 4.545 3.101 1.00 0.00 C ATOM 900 CG GLN A 55 13.280 4.446 2.777 1.00 0.00 C ATOM 901 CD GLN A 55 14.097 4.739 4.036 1.00 0.00 C ATOM 902 OE1 GLN A 55 13.907 5.754 4.676 1.00 0.00 O ATOM 903 NE2 GLN A 55 15.008 3.886 4.420 1.00 0.00 N ATOM 0 H GLN A 55 10.228 7.249 3.106 1.00 0.00 H new ATOM 0 HA GLN A 55 11.870 6.274 1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.650 4.850 4.138 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.316 3.569 2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.516 3.450 2.401 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.540 5.154 1.990 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.168 3.034 3.883 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.560 4.072 5.257 1.00 0.00 H new ATOM 912 N PHE A 56 10.280 5.523 -0.111 1.00 0.00 N ATOM 913 CA PHE A 56 9.688 4.862 -1.308 1.00 0.00 C ATOM 914 C PHE A 56 10.805 4.397 -2.245 1.00 0.00 C ATOM 915 O PHE A 56 11.037 3.217 -2.408 1.00 0.00 O ATOM 916 CB PHE A 56 8.783 5.852 -2.044 1.00 0.00 C ATOM 917 CG PHE A 56 7.928 5.105 -3.041 1.00 0.00 C ATOM 918 CD1 PHE A 56 8.476 4.695 -4.262 1.00 0.00 C ATOM 919 CD2 PHE A 56 6.590 4.823 -2.743 1.00 0.00 C ATOM 920 CE1 PHE A 56 7.685 4.002 -5.186 1.00 0.00 C ATOM 921 CE2 PHE A 56 5.799 4.130 -3.668 1.00 0.00 C ATOM 922 CZ PHE A 56 6.346 3.719 -4.889 1.00 0.00 C ATOM 0 H PHE A 56 10.466 6.521 -0.212 1.00 0.00 H new ATOM 0 HA PHE A 56 9.101 4.000 -0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.151 6.383 -1.332 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.386 6.602 -2.556 1.00 0.00 H new ATOM 0 HD1 PHE A 56 9.509 4.913 -4.491 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.168 5.139 -1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 56 8.108 3.686 -6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.766 3.913 -3.439 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.736 3.184 -5.602 1.00 0.00 H new ATOM 932 N GLU A 57 11.497 5.315 -2.864 1.00 0.00 N ATOM 933 CA GLU A 57 12.597 4.920 -3.790 1.00 0.00 C ATOM 934 C GLU A 57 13.424 3.805 -3.152 1.00 0.00 C ATOM 935 O GLU A 57 13.750 2.820 -3.784 1.00 0.00 O ATOM 936 CB GLU A 57 13.499 6.124 -4.057 1.00 0.00 C ATOM 937 CG GLU A 57 12.765 7.127 -4.949 1.00 0.00 C ATOM 938 CD GLU A 57 13.785 7.983 -5.702 1.00 0.00 C ATOM 939 OE1 GLU A 57 14.911 7.536 -5.848 1.00 0.00 O ATOM 940 OE2 GLU A 57 13.424 9.071 -6.120 1.00 0.00 O ATOM 0 H GLU A 57 11.349 6.320 -2.769 1.00 0.00 H new ATOM 0 HA GLU A 57 12.169 4.569 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.780 6.597 -3.116 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.422 5.800 -4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.124 6.600 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.118 7.762 -4.344 1.00 0.00 H new ATOM 947 N GLN A 58 13.769 3.953 -1.903 1.00 0.00 N ATOM 948 CA GLN A 58 14.570 2.907 -1.223 1.00 0.00 C ATOM 949 C GLN A 58 13.766 1.607 -1.186 1.00 0.00 C ATOM 950 O GLN A 58 14.286 0.536 -1.428 1.00 0.00 O ATOM 951 CB GLN A 58 14.892 3.355 0.204 1.00 0.00 C ATOM 952 CG GLN A 58 16.001 4.409 0.170 1.00 0.00 C ATOM 953 CD GLN A 58 17.311 3.759 -0.277 1.00 0.00 C ATOM 954 OE1 GLN A 58 17.633 2.664 0.139 1.00 0.00 O ATOM 955 NE2 GLN A 58 18.087 4.392 -1.114 1.00 0.00 N ATOM 0 H GLN A 58 13.528 4.758 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 58 15.502 2.746 -1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 58 14.000 3.765 0.678 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.206 2.500 0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.731 5.214 -0.513 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.123 4.856 1.157 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.817 5.311 -1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.963 3.967 -1.418 1.00 0.00 H new ATOM 964 N SER A 59 12.497 1.695 -0.891 1.00 0.00 N ATOM 965 CA SER A 59 11.657 0.467 -0.847 1.00 0.00 C ATOM 966 C SER A 59 11.142 0.155 -2.253 1.00 0.00 C ATOM 967 O SER A 59 10.359 -0.753 -2.449 1.00 0.00 O ATOM 968 CB SER A 59 10.470 0.684 0.092 1.00 0.00 C ATOM 969 OG SER A 59 10.410 -0.386 1.026 1.00 0.00 O ATOM 0 H SER A 59 12.007 2.564 -0.679 1.00 0.00 H new ATOM 0 HA SER A 59 12.257 -0.367 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.575 1.634 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.543 0.736 -0.480 1.00 0.00 H new ATOM 0 HG SER A 59 9.851 -1.105 0.664 1.00 0.00 H new ATOM 975 N LYS A 60 11.583 0.891 -3.235 1.00 0.00 N ATOM 976 CA LYS A 60 11.125 0.623 -4.626 1.00 0.00 C ATOM 977 C LYS A 60 12.232 -0.113 -5.383 1.00 0.00 C ATOM 978 O LYS A 60 11.992 -0.757 -6.385 1.00 0.00 O ATOM 979 CB LYS A 60 10.820 1.949 -5.326 1.00 0.00 C ATOM 980 CG LYS A 60 10.426 1.680 -6.780 1.00 0.00 C ATOM 981 CD LYS A 60 11.661 1.801 -7.675 1.00 0.00 C ATOM 982 CE LYS A 60 11.235 2.247 -9.075 1.00 0.00 C ATOM 983 NZ LYS A 60 12.347 3.005 -9.715 1.00 0.00 N ATOM 0 H LYS A 60 12.240 1.665 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 60 10.224 0.010 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.013 2.468 -4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.693 2.601 -5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.993 0.684 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.662 2.390 -7.098 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.362 2.520 -7.250 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.179 0.844 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.976 1.379 -9.682 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.343 2.871 -9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.058 3.308 -10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.574 3.841 -9.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.187 2.396 -9.786 1.00 0.00 H new ATOM 997 N GLN A 61 13.446 -0.014 -4.913 1.00 0.00 N ATOM 998 CA GLN A 61 14.573 -0.692 -5.598 1.00 0.00 C ATOM 999 C GLN A 61 14.634 -2.167 -5.195 1.00 0.00 C ATOM 1000 O GLN A 61 14.677 -3.045 -6.034 1.00 0.00 O ATOM 1001 CB GLN A 61 15.885 -0.010 -5.209 1.00 0.00 C ATOM 1002 CG GLN A 61 16.206 1.096 -6.217 1.00 0.00 C ATOM 1003 CD GLN A 61 17.133 0.545 -7.302 1.00 0.00 C ATOM 1004 OE1 GLN A 61 18.339 0.587 -7.165 1.00 0.00 O ATOM 1005 NE2 GLN A 61 16.617 0.028 -8.383 1.00 0.00 N ATOM 0 H GLN A 61 13.703 0.512 -4.078 1.00 0.00 H new ATOM 0 HA GLN A 61 14.421 -0.625 -6.675 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.805 0.410 -4.206 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.694 -0.741 -5.185 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.286 1.472 -6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.680 1.937 -5.711 1.00 0.00 H new ATOM 0 HE21 GLN A 61 15.604 -0.007 -8.498 1.00 0.00 H new ATOM 0 HE22 GLN A 61 17.226 -0.341 -9.113 1.00 0.00 H new ATOM 1014 N LEU A 62 14.665 -2.439 -3.917 1.00 0.00 N ATOM 1015 CA LEU A 62 14.751 -3.863 -3.449 1.00 0.00 C ATOM 1016 C LEU A 62 13.853 -4.727 -4.329 1.00 0.00 C ATOM 1017 O LEU A 62 14.179 -5.850 -4.661 1.00 0.00 O ATOM 1018 CB LEU A 62 14.278 -4.023 -1.991 1.00 0.00 C ATOM 1019 CG LEU A 62 13.775 -2.701 -1.412 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.490 -2.289 -2.136 1.00 0.00 C ATOM 1021 CD2 LEU A 62 13.472 -2.889 0.077 1.00 0.00 C ATOM 0 H LEU A 62 14.635 -1.741 -3.174 1.00 0.00 H new ATOM 0 HA LEU A 62 15.796 -4.168 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.482 -4.766 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.100 -4.398 -1.381 1.00 0.00 H new ATOM 0 HG LEU A 62 14.534 -1.930 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.128 -1.346 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.695 -2.167 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.732 -3.060 -1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.113 -1.949 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.708 -3.657 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 62 14.380 -3.195 0.597 1.00 0.00 H new ATOM 1033 N THR A 63 12.722 -4.206 -4.708 1.00 0.00 N ATOM 1034 CA THR A 63 11.790 -4.981 -5.564 1.00 0.00 C ATOM 1035 C THR A 63 11.468 -4.160 -6.813 1.00 0.00 C ATOM 1036 O THR A 63 10.345 -3.765 -7.011 1.00 0.00 O ATOM 1037 CB THR A 63 10.504 -5.280 -4.780 1.00 0.00 C ATOM 1038 OG1 THR A 63 9.416 -5.414 -5.683 1.00 0.00 O ATOM 1039 CG2 THR A 63 10.216 -4.140 -3.794 1.00 0.00 C ATOM 0 H THR A 63 12.402 -3.270 -4.459 1.00 0.00 H new ATOM 0 HA THR A 63 12.249 -5.925 -5.859 1.00 0.00 H new ATOM 0 HB THR A 63 10.632 -6.209 -4.225 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.478 -4.723 -6.375 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.302 -4.359 -3.241 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.048 -4.044 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.093 -3.206 -4.343 1.00 0.00 H new ATOM 1047 N GLU A 64 12.471 -3.911 -7.634 1.00 0.00 N ATOM 1048 CA GLU A 64 12.308 -3.109 -8.901 1.00 0.00 C ATOM 1049 C GLU A 64 10.852 -2.696 -9.135 1.00 0.00 C ATOM 1050 O GLU A 64 9.971 -3.527 -9.243 1.00 0.00 O ATOM 1051 CB GLU A 64 12.787 -3.948 -10.088 1.00 0.00 C ATOM 1052 CG GLU A 64 13.841 -3.165 -10.873 1.00 0.00 C ATOM 1053 CD GLU A 64 15.233 -3.494 -10.330 1.00 0.00 C ATOM 1054 OE1 GLU A 64 15.791 -4.493 -10.752 1.00 0.00 O ATOM 1055 OE2 GLU A 64 15.716 -2.741 -9.500 1.00 0.00 O ATOM 0 H GLU A 64 13.423 -4.240 -7.473 1.00 0.00 H new ATOM 0 HA GLU A 64 12.902 -2.200 -8.802 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.206 -4.890 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.946 -4.196 -10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.783 -3.418 -11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.651 -2.095 -10.790 1.00 0.00 H new ATOM 1062 N ASN A 65 10.596 -1.414 -9.211 1.00 0.00 N ATOM 1063 CA ASN A 65 9.200 -0.934 -9.428 1.00 0.00 C ATOM 1064 C ASN A 65 8.251 -1.760 -8.560 1.00 0.00 C ATOM 1065 O ASN A 65 7.152 -2.094 -8.958 1.00 0.00 O ATOM 1066 CB ASN A 65 8.816 -1.073 -10.906 1.00 0.00 C ATOM 1067 CG ASN A 65 9.058 -2.508 -11.378 1.00 0.00 C ATOM 1068 OD1 ASN A 65 8.259 -3.387 -11.122 1.00 0.00 O ATOM 1069 ND2 ASN A 65 10.134 -2.784 -12.063 1.00 0.00 N ATOM 0 H ASN A 65 11.297 -0.678 -9.132 1.00 0.00 H new ATOM 0 HA ASN A 65 9.129 0.118 -9.151 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.768 -0.808 -11.044 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.402 -0.380 -11.509 1.00 0.00 H new ATOM 0 HD21 ASN A 65 10.304 -3.737 -12.383 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.805 -2.046 -12.278 1.00 0.00 H new ATOM 1076 N GLY A 66 8.679 -2.096 -7.373 1.00 0.00 N ATOM 1077 CA GLY A 66 7.826 -2.907 -6.462 1.00 0.00 C ATOM 1078 C GLY A 66 6.703 -2.036 -5.899 1.00 0.00 C ATOM 1079 O GLY A 66 5.538 -2.372 -5.983 1.00 0.00 O ATOM 0 H GLY A 66 9.591 -1.840 -6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.406 -3.756 -7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.428 -3.312 -5.649 1.00 0.00 H new ATOM 1083 N ALA A 67 7.049 -0.926 -5.313 1.00 0.00 N ATOM 1084 CA ALA A 67 6.022 -0.033 -4.726 1.00 0.00 C ATOM 1085 C ALA A 67 5.254 0.700 -5.830 1.00 0.00 C ATOM 1086 O ALA A 67 4.047 0.788 -5.798 1.00 0.00 O ATOM 1087 CB ALA A 67 6.711 0.990 -3.825 1.00 0.00 C ATOM 0 H ALA A 67 8.010 -0.598 -5.216 1.00 0.00 H new ATOM 0 HA ALA A 67 5.318 -0.631 -4.148 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.963 1.652 -3.388 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.246 0.472 -3.029 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.416 1.577 -4.414 1.00 0.00 H new ATOM 1093 N GLU A 68 5.950 1.241 -6.790 1.00 0.00 N ATOM 1094 CA GLU A 68 5.284 1.994 -7.894 1.00 0.00 C ATOM 1095 C GLU A 68 3.943 1.353 -8.276 1.00 0.00 C ATOM 1096 O GLU A 68 3.042 2.019 -8.745 1.00 0.00 O ATOM 1097 CB GLU A 68 6.203 1.993 -9.113 1.00 0.00 C ATOM 1098 CG GLU A 68 6.574 3.430 -9.459 1.00 0.00 C ATOM 1099 CD GLU A 68 6.933 3.527 -10.942 1.00 0.00 C ATOM 1100 OE1 GLU A 68 7.625 2.645 -11.423 1.00 0.00 O ATOM 1101 OE2 GLU A 68 6.510 4.482 -11.573 1.00 0.00 O ATOM 0 H GLU A 68 6.967 1.194 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 68 5.092 3.012 -7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.102 1.412 -8.906 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.705 1.519 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.741 4.095 -9.232 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.417 3.755 -8.849 1.00 0.00 H new ATOM 1108 N SER A 69 3.808 0.069 -8.101 1.00 0.00 N ATOM 1109 CA SER A 69 2.529 -0.604 -8.480 1.00 0.00 C ATOM 1110 C SER A 69 1.461 -0.408 -7.394 1.00 0.00 C ATOM 1111 O SER A 69 0.390 0.124 -7.646 1.00 0.00 O ATOM 1112 CB SER A 69 2.784 -2.099 -8.670 1.00 0.00 C ATOM 1113 OG SER A 69 2.659 -2.426 -10.048 1.00 0.00 O ATOM 0 H SER A 69 4.524 -0.545 -7.713 1.00 0.00 H new ATOM 0 HA SER A 69 2.166 -0.161 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.780 -2.358 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.073 -2.679 -8.081 1.00 0.00 H new ATOM 0 HG SER A 69 2.947 -3.352 -10.192 1.00 0.00 H new ATOM 1119 N VAL A 70 1.729 -0.834 -6.190 1.00 0.00 N ATOM 1120 CA VAL A 70 0.718 -0.673 -5.116 1.00 0.00 C ATOM 1121 C VAL A 70 0.340 0.794 -5.032 1.00 0.00 C ATOM 1122 O VAL A 70 -0.818 1.147 -5.008 1.00 0.00 O ATOM 1123 CB VAL A 70 1.302 -1.129 -3.785 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.319 -0.793 -2.666 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.536 -2.640 -3.822 1.00 0.00 C ATOM 0 H VAL A 70 2.600 -1.284 -5.908 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.162 -1.276 -5.338 1.00 0.00 H new ATOM 0 HB VAL A 70 2.250 -0.621 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.731 -1.117 -1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.149 0.283 -2.642 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.626 -1.305 -2.846 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.954 -2.967 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.589 -3.151 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.232 -2.881 -4.626 1.00 0.00 H new ATOM 1135 N LEU A 71 1.315 1.652 -5.007 1.00 0.00 N ATOM 1136 CA LEU A 71 1.022 3.105 -4.950 1.00 0.00 C ATOM 1137 C LEU A 71 0.112 3.452 -6.118 1.00 0.00 C ATOM 1138 O LEU A 71 -0.775 4.258 -6.001 1.00 0.00 O ATOM 1139 CB LEU A 71 2.317 3.890 -5.082 1.00 0.00 C ATOM 1140 CG LEU A 71 2.000 5.369 -5.313 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.478 5.990 -4.016 1.00 0.00 C ATOM 1142 CD2 LEU A 71 3.272 6.100 -5.751 1.00 0.00 C ATOM 0 H LEU A 71 2.305 1.409 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 71 0.544 3.354 -4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.918 3.773 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.907 3.500 -5.911 1.00 0.00 H new ATOM 0 HG LEU A 71 1.241 5.460 -6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.253 7.043 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.573 5.470 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.236 5.899 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.048 7.154 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.031 6.008 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.645 5.659 -6.676 1.00 0.00 H new ATOM 1154 N GLN A 72 0.327 2.840 -7.248 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.539 3.127 -8.423 1.00 0.00 C ATOM 1156 C GLN A 72 -1.973 2.787 -8.044 1.00 0.00 C ATOM 1157 O GLN A 72 -2.913 3.453 -8.425 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.064 2.268 -9.617 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.163 1.308 -10.103 1.00 0.00 C ATOM 1160 CD GLN A 72 -0.575 0.330 -11.121 1.00 0.00 C ATOM 1161 OE1 GLN A 72 0.417 0.623 -11.759 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -1.148 -0.828 -11.302 1.00 0.00 N ATOM 0 H GLN A 72 1.065 2.154 -7.408 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.482 4.177 -8.711 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.238 2.920 -10.437 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.816 1.695 -9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.582 0.761 -9.258 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.979 1.872 -10.555 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.981 -1.074 -10.767 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.763 -1.487 -11.979 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.131 1.738 -7.305 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.479 1.306 -6.885 1.00 0.00 C ATOM 1173 C VAL A 73 -4.005 2.227 -5.777 1.00 0.00 C ATOM 1174 O VAL A 73 -5.194 2.406 -5.620 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.369 -0.118 -6.366 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.673 -0.536 -5.693 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.040 -1.049 -7.539 1.00 0.00 C ATOM 0 H VAL A 73 -1.368 1.150 -6.968 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.172 1.353 -7.725 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.574 -0.180 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.581 -1.558 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.882 0.133 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.488 -0.482 -6.414 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.959 -2.074 -7.178 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.833 -0.989 -8.285 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.094 -0.747 -7.989 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.132 2.801 -5.001 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.591 3.699 -3.899 1.00 0.00 C ATOM 1189 C PHE A 74 -3.984 5.067 -4.470 1.00 0.00 C ATOM 1190 O PHE A 74 -4.932 5.687 -4.029 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.466 3.870 -2.873 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.678 2.901 -1.735 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.776 3.055 -0.882 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.778 1.847 -1.536 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.976 2.155 0.171 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.977 0.947 -0.482 1.00 0.00 C ATOM 1197 CZ PHE A 74 -3.076 1.101 0.371 1.00 0.00 C ATOM 0 H PHE A 74 -2.121 2.690 -5.079 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.459 3.254 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.499 3.691 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.453 4.893 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.469 3.869 -1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.931 1.728 -2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.824 2.273 0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.283 0.134 -0.327 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.230 0.407 1.184 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.271 5.533 -5.455 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.596 6.840 -6.072 1.00 0.00 C ATOM 1209 C ARG A 75 -4.733 6.627 -7.054 1.00 0.00 C ATOM 1210 O ARG A 75 -5.567 7.481 -7.259 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.379 7.367 -6.819 1.00 0.00 C ATOM 1212 CG ARG A 75 -1.466 8.124 -5.851 1.00 0.00 C ATOM 1213 CD ARG A 75 -0.118 8.393 -6.525 1.00 0.00 C ATOM 1214 NE ARG A 75 0.083 9.863 -6.682 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.927 10.637 -6.977 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.564 10.478 -8.104 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.298 11.571 -6.144 1.00 0.00 N ATOM 0 H ARG A 75 -2.467 5.055 -5.862 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.883 7.559 -5.305 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.835 6.540 -7.276 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.694 8.027 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.931 9.065 -5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.320 7.541 -4.941 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.689 7.968 -5.928 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.084 7.906 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 75 1.012 10.265 -6.559 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.274 9.749 -8.756 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.353 11.083 -8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.799 11.696 -5.263 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.087 12.176 -6.374 1.00 0.00 H new ATOM 1231 N GLU A 76 -4.768 5.469 -7.647 1.00 0.00 N ATOM 1232 CA GLU A 76 -5.853 5.141 -8.602 1.00 0.00 C ATOM 1233 C GLU A 76 -7.135 5.040 -7.793 1.00 0.00 C ATOM 1234 O GLU A 76 -8.155 5.589 -8.147 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.549 3.796 -9.247 1.00 0.00 C ATOM 1236 CG GLU A 76 -4.715 3.993 -10.513 1.00 0.00 C ATOM 1237 CD GLU A 76 -5.632 3.977 -11.738 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -5.969 2.893 -12.187 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.982 5.048 -12.206 1.00 0.00 O ATOM 0 H GLU A 76 -4.081 4.728 -7.507 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.944 5.896 -9.383 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.011 3.161 -8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.479 3.284 -9.492 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.176 4.939 -10.462 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.968 3.204 -10.595 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.065 4.361 -6.678 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.245 4.244 -5.801 1.00 0.00 C ATOM 1248 C ALA A 77 -8.534 5.638 -5.271 1.00 0.00 C ATOM 1249 O ALA A 77 -9.669 6.042 -5.113 1.00 0.00 O ATOM 1250 CB ALA A 77 -7.947 3.298 -4.638 1.00 0.00 C ATOM 0 H ALA A 77 -6.229 3.882 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.099 3.843 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.826 3.220 -3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.693 2.312 -5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.109 3.686 -4.059 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.498 6.400 -5.036 1.00 0.00 N ATOM 1257 CA LYS A 78 -7.702 7.790 -4.568 1.00 0.00 C ATOM 1258 C LYS A 78 -8.465 8.510 -5.666 1.00 0.00 C ATOM 1259 O LYS A 78 -9.265 9.394 -5.433 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.344 8.457 -4.393 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.341 9.307 -3.120 1.00 0.00 C ATOM 1262 CD LYS A 78 -5.428 10.519 -3.318 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.255 11.802 -3.225 1.00 0.00 C ATOM 1264 NZ LYS A 78 -6.010 12.458 -1.909 1.00 0.00 N ATOM 0 H LYS A 78 -6.525 6.115 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.242 7.817 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.562 7.700 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.122 9.082 -5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.354 9.635 -2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.996 8.713 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.643 10.524 -2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.935 10.461 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.987 12.479 -4.036 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.315 11.573 -3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.572 13.330 -1.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.286 11.812 -1.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.000 12.690 -1.819 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.204 8.105 -6.874 1.00 0.00 N ATOM 1279 CA ALA A 79 -8.870 8.701 -8.047 1.00 0.00 C ATOM 1280 C ALA A 79 -10.321 8.225 -8.086 1.00 0.00 C ATOM 1281 O ALA A 79 -11.219 8.939 -8.486 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.139 8.222 -9.299 1.00 0.00 C ATOM 0 H ALA A 79 -7.538 7.365 -7.097 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.849 9.790 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.613 8.649 -10.183 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.097 8.540 -9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.184 7.134 -9.353 1.00 0.00 H new ATOM 1288 N GLU A 80 -10.543 7.012 -7.666 1.00 0.00 N ATOM 1289 CA GLU A 80 -11.912 6.445 -7.657 1.00 0.00 C ATOM 1290 C GLU A 80 -12.840 7.354 -6.851 1.00 0.00 C ATOM 1291 O GLU A 80 -14.048 7.274 -6.952 1.00 0.00 O ATOM 1292 CB GLU A 80 -11.861 5.060 -7.009 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.505 4.017 -8.065 1.00 0.00 C ATOM 1294 CD GLU A 80 -12.765 3.614 -8.834 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.084 4.286 -9.801 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.388 2.641 -8.442 1.00 0.00 O ATOM 0 H GLU A 80 -9.818 6.381 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.290 6.367 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.122 5.049 -6.208 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.824 4.822 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.761 4.420 -8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.061 3.142 -7.591 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.283 8.213 -6.044 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.128 9.121 -5.222 1.00 0.00 C ATOM 1305 C GLY A 81 -12.911 8.801 -3.743 1.00 0.00 C ATOM 1306 O GLY A 81 -13.334 9.533 -2.870 1.00 0.00 O ATOM 0 H GLY A 81 -11.277 8.325 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.870 10.161 -5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.179 8.997 -5.484 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.251 7.712 -3.456 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.001 7.343 -2.039 1.00 0.00 C ATOM 1312 C CYS A 82 -11.181 8.445 -1.366 1.00 0.00 C ATOM 1313 O CYS A 82 -10.571 9.265 -2.024 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.225 6.028 -1.993 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.385 4.639 -2.026 1.00 0.00 S ATOM 0 H CYS A 82 -11.874 7.062 -4.146 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.950 7.226 -1.515 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.543 5.966 -2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.615 5.985 -1.090 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.220 3.911 -0.962 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.161 8.475 -0.063 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.381 9.529 0.642 1.00 0.00 C ATOM 1323 C ASP A 83 -9.079 8.932 1.185 1.00 0.00 C ATOM 1324 O ASP A 83 -8.850 8.897 2.378 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.213 10.088 1.797 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.598 11.403 2.281 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.388 11.450 2.426 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.348 12.340 2.498 1.00 0.00 O ATOM 0 H ASP A 83 -11.650 7.816 0.543 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.142 10.332 -0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.240 10.253 1.472 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.249 9.368 2.615 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.221 8.470 0.315 1.00 0.00 N ATOM 1334 CA ILE A 84 -6.930 7.885 0.776 1.00 0.00 C ATOM 1335 C ILE A 84 -5.849 8.971 0.743 1.00 0.00 C ATOM 1336 O ILE A 84 -5.131 9.111 -0.226 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.516 6.754 -0.159 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.423 5.554 0.063 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.069 6.356 0.130 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.907 5.053 -1.291 1.00 0.00 C ATOM 0 H ILE A 84 -8.359 8.473 -0.696 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.049 7.500 1.789 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.602 7.090 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.884 4.765 0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.271 5.832 0.689 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.774 5.547 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.417 7.215 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.983 6.021 1.164 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.559 4.191 -1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.458 5.846 -1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.050 4.762 -1.899 1.00 0.00 H new ATOM 1352 N THR A 85 -5.728 9.740 1.787 1.00 0.00 N ATOM 1353 CA THR A 85 -4.695 10.814 1.804 1.00 0.00 C ATOM 1354 C THR A 85 -3.342 10.232 1.386 1.00 0.00 C ATOM 1355 O THR A 85 -2.584 9.749 2.203 1.00 0.00 O ATOM 1356 CB THR A 85 -4.584 11.393 3.216 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.795 12.058 3.549 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.421 12.384 3.274 1.00 0.00 C ATOM 0 H THR A 85 -6.299 9.672 2.630 1.00 0.00 H new ATOM 0 HA THR A 85 -4.982 11.602 1.108 1.00 0.00 H new ATOM 0 HB THR A 85 -4.405 10.587 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.727 12.428 4.454 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.343 12.795 4.280 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.493 11.872 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.596 13.192 2.564 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.031 10.279 0.119 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.725 9.734 -0.348 1.00 0.00 C ATOM 1368 C ILE A 86 -0.594 10.620 0.176 1.00 0.00 C ATOM 1369 O ILE A 86 -0.577 11.815 -0.047 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.695 9.721 -1.878 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.724 8.716 -2.401 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.299 9.320 -2.359 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.228 7.291 -2.145 1.00 0.00 C ATOM 0 H ILE A 86 -3.625 10.671 -0.612 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.598 8.718 0.025 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.936 10.716 -2.253 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.683 8.872 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.887 8.869 -3.468 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.278 9.311 -3.449 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.434 10.037 -1.988 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.056 8.326 -1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.963 6.577 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.279 7.138 -2.660 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.088 7.141 -1.074 1.00 0.00 H new ATOM 1385 N ILE A 87 0.350 10.052 0.876 1.00 0.00 N ATOM 1386 CA ILE A 87 1.470 10.875 1.413 1.00 0.00 C ATOM 1387 C ILE A 87 2.805 10.194 1.103 1.00 0.00 C ATOM 1388 O ILE A 87 3.242 9.309 1.810 1.00 0.00 O ATOM 1389 CB ILE A 87 1.306 11.024 2.927 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.147 11.980 3.219 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.593 11.588 3.530 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.546 11.561 4.517 1.00 0.00 C ATOM 0 H ILE A 87 0.394 9.058 1.098 1.00 0.00 H new ATOM 0 HA ILE A 87 1.455 11.860 0.946 1.00 0.00 H new ATOM 0 HB ILE A 87 1.097 10.049 3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.517 13.002 3.305 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.565 11.968 2.394 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.474 11.693 4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.420 10.910 3.321 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.803 12.563 3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.371 12.242 4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.930 10.546 4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.169 11.596 5.339 1.00 0.00 H new ATOM 1404 N LEU A 88 3.459 10.606 0.050 1.00 0.00 N ATOM 1405 CA LEU A 88 4.768 9.987 -0.306 1.00 0.00 C ATOM 1406 C LEU A 88 5.904 10.827 0.283 1.00 0.00 C ATOM 1407 O LEU A 88 6.177 11.922 -0.169 1.00 0.00 O ATOM 1408 CB LEU A 88 4.910 9.936 -1.828 1.00 0.00 C ATOM 1409 CG LEU A 88 4.519 8.547 -2.333 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.126 8.605 -2.962 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.532 8.083 -3.381 1.00 0.00 C ATOM 0 H LEU A 88 3.143 11.344 -0.579 1.00 0.00 H new ATOM 0 HA LEU A 88 4.815 8.976 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.275 10.693 -2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.937 10.163 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 88 4.511 7.846 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.848 7.614 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.403 8.936 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.133 9.306 -3.797 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.254 7.093 -3.742 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.539 8.784 -4.215 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.525 8.041 -2.934 1.00 0.00 H new ATOM 1423 N SER A 89 6.568 10.326 1.288 1.00 0.00 N ATOM 1424 CA SER A 89 7.685 11.098 1.902 1.00 0.00 C ATOM 1425 C SER A 89 8.976 10.282 1.819 1.00 0.00 C ATOM 1426 O SER A 89 9.805 10.605 0.984 1.00 0.00 O ATOM 1427 CB SER A 89 7.358 11.388 3.367 1.00 0.00 C ATOM 1428 OG SER A 89 6.912 12.732 3.492 1.00 0.00 O ATOM 1429 OXT SER A 89 9.115 9.349 2.592 1.00 0.00 O ATOM 0 H SER A 89 6.386 9.416 1.711 1.00 0.00 H new ATOM 0 HA SER A 89 7.815 12.038 1.366 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.588 10.703 3.722 1.00 0.00 H new ATOM 0 HB3 SER A 89 8.240 11.226 3.987 1.00 0.00 H new ATOM 0 HG SER A 89 6.700 12.920 4.430 1.00 0.00 H new TER 1435 SER A 89