USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 888 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 73 GLN :FLIP amide:sc= 0.728 F(o=-0.14,f=1.6) USER MOD Set 1.2: A 99 TYR OH : rot -89:sc= 0.822 USER MOD Set 2.1: A 24 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.4!) USER MOD Set 2.2: A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 34 MET CE :methyl -128:sc= -4.45! (180deg=-8.61!) USER MOD Set 3.2: A 58 ASN : amide:sc= -7.38! C(o=-12!,f=-16!) USER MOD Set 4.1: A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 87 MET CE :methyl 139:sc= -0.744 (180deg=-4.25!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.186 (180deg=-0.298) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.403 K(o=-0.4,f=-3.1!) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.854 F(o=-1.5!,f=-0.85) USER MOD Single : A 16 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.2!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 160:sc= -1.23 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -162:sc= -7.08! (180deg=-7.57!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -30:sc= -5.08! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0311 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.587) USER MOD Single : A 76 SER OG : rot 180:sc= -0.216 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN :FLIP amide:sc= -1.53 F(o=-2.2!,f=-1.5) USER MOD Single : A 102 SER OG : rot 151:sc= -4.03! USER MOD Single : A 107 MET CE :methyl -177:sc= -7.31! (180deg=-7.46!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.240 -13.017 3.456 1.00 0.00 N ATOM 2 CA MET A 1 -11.712 -11.737 3.018 1.00 0.00 C ATOM 3 C MET A 1 -10.467 -11.925 2.149 1.00 0.00 C ATOM 4 O MET A 1 -9.599 -11.054 2.104 1.00 0.00 O ATOM 5 CB MET A 1 -11.359 -10.886 4.240 1.00 0.00 C ATOM 6 CG MET A 1 -12.583 -10.125 4.752 1.00 0.00 C ATOM 7 SD MET A 1 -13.419 -11.084 6.003 1.00 0.00 S ATOM 8 CE MET A 1 -14.735 -9.956 6.430 1.00 0.00 C ATOM 0 H1 MET A 1 -12.834 -12.878 4.298 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.812 -13.436 2.695 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.453 -13.656 3.689 1.00 0.00 H new ATOM 0 HA MET A 1 -12.474 -11.235 2.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.967 -11.525 5.031 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.570 -10.180 3.980 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.277 -9.163 5.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.264 -9.917 3.926 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.359 -10.401 7.205 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.309 -9.023 6.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.342 -9.754 5.547 1.00 0.00 H new ATOM 18 N ALA A 2 -10.418 -13.068 1.480 1.00 0.00 N ATOM 19 CA ALA A 2 -9.294 -13.381 0.615 1.00 0.00 C ATOM 20 C ALA A 2 -9.700 -14.487 -0.362 1.00 0.00 C ATOM 21 O ALA A 2 -10.805 -15.020 -0.276 1.00 0.00 O ATOM 22 CB ALA A 2 -8.086 -13.772 1.469 1.00 0.00 C ATOM 0 H ALA A 2 -11.139 -13.788 1.520 1.00 0.00 H new ATOM 0 HA ALA A 2 -9.009 -12.509 0.026 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.242 -14.007 0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.820 -12.943 2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.334 -14.645 2.072 1.00 0.00 H new ATOM 28 N LYS A 3 -8.785 -14.798 -1.266 1.00 0.00 N ATOM 29 CA LYS A 3 -9.033 -15.832 -2.258 1.00 0.00 C ATOM 30 C LYS A 3 -8.463 -17.160 -1.758 1.00 0.00 C ATOM 31 O LYS A 3 -7.321 -17.504 -2.063 1.00 0.00 O ATOM 32 CB LYS A 3 -8.493 -15.404 -3.624 1.00 0.00 C ATOM 33 CG LYS A 3 -8.669 -16.520 -4.657 1.00 0.00 C ATOM 34 CD LYS A 3 -9.691 -16.123 -5.723 1.00 0.00 C ATOM 35 CE LYS A 3 -10.251 -17.357 -6.432 1.00 0.00 C ATOM 36 NZ LYS A 3 -11.385 -16.982 -7.308 1.00 0.00 N ATOM 0 H LYS A 3 -7.870 -14.353 -1.334 1.00 0.00 H new ATOM 0 HA LYS A 3 -10.104 -15.978 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.013 -14.507 -3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.437 -15.147 -3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.711 -16.738 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.994 -17.434 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -10.505 -15.564 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -9.223 -15.461 -6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.468 -17.830 -7.024 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -10.580 -18.089 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -11.753 -17.831 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.138 -16.551 -6.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -11.061 -16.300 -8.023 1.00 0.00 H new ATOM 49 N GLU A 4 -9.283 -17.872 -0.999 1.00 0.00 N ATOM 50 CA GLU A 4 -8.874 -19.156 -0.454 1.00 0.00 C ATOM 51 C GLU A 4 -8.539 -20.129 -1.585 1.00 0.00 C ATOM 52 O GLU A 4 -9.389 -20.914 -2.005 1.00 0.00 O ATOM 53 CB GLU A 4 -9.954 -19.730 0.464 1.00 0.00 C ATOM 54 CG GLU A 4 -9.331 -20.506 1.626 1.00 0.00 C ATOM 55 CD GLU A 4 -10.352 -20.735 2.743 1.00 0.00 C ATOM 56 OE1 GLU A 4 -11.428 -21.298 2.493 1.00 0.00 O ATOM 57 OE2 GLU A 4 -9.995 -20.305 3.905 1.00 0.00 O ATOM 0 H GLU A 4 -10.229 -17.584 -0.748 1.00 0.00 H new ATOM 0 HA GLU A 4 -7.977 -19.006 0.146 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.573 -18.921 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.610 -20.387 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.957 -21.465 1.268 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.475 -19.956 2.018 1.00 0.00 H new ATOM 65 N PHE A 5 -7.299 -20.049 -2.045 1.00 0.00 N ATOM 66 CA PHE A 5 -6.842 -20.914 -3.120 1.00 0.00 C ATOM 67 C PHE A 5 -5.378 -21.311 -2.919 1.00 0.00 C ATOM 68 O PHE A 5 -4.497 -20.453 -2.906 1.00 0.00 O ATOM 69 CB PHE A 5 -6.969 -20.118 -4.420 1.00 0.00 C ATOM 70 CG PHE A 5 -6.964 -20.983 -5.682 1.00 0.00 C ATOM 71 CD1 PHE A 5 -6.717 -22.318 -5.591 1.00 0.00 C ATOM 72 CD2 PHE A 5 -7.208 -20.417 -6.894 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.713 -23.120 -6.762 1.00 0.00 C ATOM 74 CE2 PHE A 5 -7.204 -21.221 -8.066 1.00 0.00 C ATOM 75 CZ PHE A 5 -6.957 -22.555 -7.975 1.00 0.00 C ATOM 0 H PHE A 5 -6.597 -19.399 -1.693 1.00 0.00 H new ATOM 0 HA PHE A 5 -7.438 -21.826 -3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.893 -19.540 -4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.148 -19.404 -4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.524 -22.767 -4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.405 -19.358 -6.966 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.516 -24.179 -6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.397 -20.772 -9.029 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.955 -23.166 -8.866 1.00 0.00 H new ATOM 85 N GLY A 6 -5.166 -22.610 -2.767 1.00 0.00 N ATOM 86 CA GLY A 6 -3.824 -23.130 -2.568 1.00 0.00 C ATOM 87 C GLY A 6 -2.804 -22.348 -3.398 1.00 0.00 C ATOM 88 O GLY A 6 -1.636 -22.255 -3.025 1.00 0.00 O ATOM 0 H GLY A 6 -5.901 -23.317 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.560 -23.071 -1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.793 -24.183 -2.846 1.00 0.00 H new ATOM 92 N ARG A 7 -3.283 -21.806 -4.509 1.00 0.00 N ATOM 93 CA ARG A 7 -2.427 -21.036 -5.395 1.00 0.00 C ATOM 94 C ARG A 7 -1.828 -19.842 -4.648 1.00 0.00 C ATOM 95 O ARG A 7 -2.128 -19.624 -3.475 1.00 0.00 O ATOM 96 CB ARG A 7 -3.207 -20.530 -6.609 1.00 0.00 C ATOM 97 CG ARG A 7 -2.729 -21.215 -7.891 1.00 0.00 C ATOM 98 CD ARG A 7 -3.006 -22.719 -7.844 1.00 0.00 C ATOM 99 NE ARG A 7 -1.736 -23.463 -7.687 1.00 0.00 N ATOM 100 CZ ARG A 7 -1.645 -24.708 -7.175 1.00 0.00 C ATOM 101 NH1 ARG A 7 -2.753 -25.361 -6.763 1.00 0.00 N ATOM 102 NH2 ARG A 7 -0.458 -25.278 -7.081 1.00 0.00 N ATOM 0 H ARG A 7 -4.253 -21.885 -4.815 1.00 0.00 H new ATOM 0 HA ARG A 7 -1.627 -21.692 -5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.271 -20.718 -6.467 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.084 -19.451 -6.701 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.232 -20.775 -8.752 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.661 -21.042 -8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.676 -22.948 -7.015 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.510 -23.033 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.875 -23.005 -7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.666 -24.913 -6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.676 -26.302 -6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.374 -24.778 -7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.373 -26.219 -6.696 1.00 0.00 H new ATOM 115 N PRO A 8 -0.970 -19.080 -5.378 1.00 0.00 N ATOM 116 CA PRO A 8 -0.325 -17.915 -4.797 1.00 0.00 C ATOM 117 C PRO A 8 -1.309 -16.749 -4.675 1.00 0.00 C ATOM 118 O PRO A 8 -0.923 -15.645 -4.293 1.00 0.00 O ATOM 119 CB PRO A 8 0.844 -17.610 -5.721 1.00 0.00 C ATOM 120 CG PRO A 8 0.538 -18.324 -7.028 1.00 0.00 C ATOM 121 CD PRO A 8 -0.591 -19.308 -6.769 1.00 0.00 C ATOM 0 HA PRO A 8 0.024 -18.091 -3.780 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.949 -16.536 -5.877 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.782 -17.963 -5.293 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.250 -17.607 -7.796 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.422 -18.846 -7.394 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.431 -19.133 -7.442 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.264 -20.336 -6.927 1.00 0.00 H new ATOM 129 N GLN A 9 -2.560 -17.036 -5.002 1.00 0.00 N ATOM 130 CA GLN A 9 -3.602 -16.025 -4.934 1.00 0.00 C ATOM 131 C GLN A 9 -4.050 -15.823 -3.484 1.00 0.00 C ATOM 132 O GLN A 9 -4.364 -14.706 -3.077 1.00 0.00 O ATOM 133 CB GLN A 9 -4.786 -16.396 -5.828 1.00 0.00 C ATOM 134 CG GLN A 9 -5.128 -15.255 -6.786 1.00 0.00 C ATOM 135 CD GLN A 9 -4.820 -15.643 -8.234 1.00 0.00 C ATOM 136 OE1 GLN A 9 -4.473 -16.771 -8.540 1.00 0.00 O ATOM 137 NE2 GLN A 9 -4.967 -14.648 -9.104 1.00 0.00 N ATOM 0 H GLN A 9 -2.876 -17.954 -5.315 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.194 -15.084 -5.302 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -4.549 -17.295 -6.397 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.653 -16.629 -5.211 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -6.183 -15.000 -6.691 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -4.559 -14.365 -6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -5.261 -13.727 -8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -4.786 -14.806 -10.095 1.00 0.00 H new ATOM 146 N ARG A 10 -4.067 -16.924 -2.746 1.00 0.00 N ATOM 147 CA ARG A 10 -4.472 -16.882 -1.351 1.00 0.00 C ATOM 148 C ARG A 10 -3.574 -15.925 -0.566 1.00 0.00 C ATOM 149 O ARG A 10 -4.064 -15.014 0.101 1.00 0.00 O ATOM 150 CB ARG A 10 -4.404 -18.271 -0.716 1.00 0.00 C ATOM 151 CG ARG A 10 -5.214 -18.322 0.582 1.00 0.00 C ATOM 152 CD ARG A 10 -4.376 -17.844 1.769 1.00 0.00 C ATOM 153 NE ARG A 10 -4.461 -18.822 2.876 1.00 0.00 N ATOM 154 CZ ARG A 10 -3.560 -18.914 3.876 1.00 0.00 C ATOM 155 NH1 ARG A 10 -2.495 -18.083 3.917 1.00 0.00 N ATOM 156 NH2 ARG A 10 -3.732 -19.827 4.813 1.00 0.00 N ATOM 0 H ARG A 10 -3.807 -17.849 -3.088 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.503 -16.529 -1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.786 -19.014 -1.416 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.365 -18.530 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.103 -17.699 0.485 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.557 -19.341 0.761 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.337 -17.717 1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.730 -16.870 2.106 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.251 -19.467 2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.368 -17.380 3.189 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.818 -18.159 4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.538 -20.451 4.775 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.059 -19.909 5.575 1.00 0.00 H new ATOM 169 N VAL A 11 -2.275 -16.165 -0.670 1.00 0.00 N ATOM 170 CA VAL A 11 -1.302 -15.336 0.023 1.00 0.00 C ATOM 171 C VAL A 11 -1.342 -13.919 -0.555 1.00 0.00 C ATOM 172 O VAL A 11 -1.265 -12.940 0.184 1.00 0.00 O ATOM 173 CB VAL A 11 0.084 -15.976 -0.058 1.00 0.00 C ATOM 174 CG1 VAL A 11 1.167 -14.915 -0.268 1.00 0.00 C ATOM 175 CG2 VAL A 11 0.374 -16.816 1.187 1.00 0.00 C ATOM 0 H VAL A 11 -1.873 -16.922 -1.224 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.549 -15.262 1.082 1.00 0.00 H new ATOM 0 HB VAL A 11 0.095 -16.642 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.143 -15.397 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.975 -14.378 -1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.155 -14.213 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.366 -17.260 1.103 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.334 -16.181 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.371 -17.607 1.274 1.00 0.00 H new ATOM 185 N ALA A 12 -1.463 -13.857 -1.874 1.00 0.00 N ATOM 186 CA ALA A 12 -1.514 -12.577 -2.561 1.00 0.00 C ATOM 187 C ALA A 12 -2.680 -11.754 -2.010 1.00 0.00 C ATOM 188 O ALA A 12 -2.554 -10.545 -1.819 1.00 0.00 O ATOM 189 CB ALA A 12 -1.626 -12.811 -4.069 1.00 0.00 C ATOM 0 H ALA A 12 -1.527 -14.672 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.599 -12.011 -2.386 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.664 -11.851 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.759 -13.374 -4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.534 -13.374 -4.283 1.00 0.00 H new ATOM 195 N GLN A 13 -3.786 -12.441 -1.770 1.00 0.00 N ATOM 196 CA GLN A 13 -4.974 -11.787 -1.245 1.00 0.00 C ATOM 197 C GLN A 13 -4.756 -11.387 0.216 1.00 0.00 C ATOM 198 O GLN A 13 -4.623 -10.204 0.526 1.00 0.00 O ATOM 199 CB GLN A 13 -6.204 -12.685 -1.390 1.00 0.00 C ATOM 200 CG GLN A 13 -6.686 -12.723 -2.842 1.00 0.00 C ATOM 201 CD GLN A 13 -6.819 -11.310 -3.412 1.00 0.00 C ATOM 202 OE1 GLN A 13 -5.726 -10.869 -4.028 1.00 0.00 O flip ATOM 203 NE2 GLN A 13 -7.848 -10.662 -3.301 1.00 0.00 N flip ATOM 0 H GLN A 13 -3.886 -13.444 -1.929 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.155 -10.883 -1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.963 -13.694 -1.056 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.004 -12.319 -0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.985 -13.299 -3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.648 -13.233 -2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.652 -11.060 -2.815 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.904 -9.722 -3.694 1.00 0.00 H new ATOM 212 N GLU A 14 -4.729 -12.395 1.075 1.00 0.00 N ATOM 213 CA GLU A 14 -4.531 -12.165 2.496 1.00 0.00 C ATOM 214 C GLU A 14 -3.498 -11.057 2.714 1.00 0.00 C ATOM 215 O GLU A 14 -3.586 -10.303 3.681 1.00 0.00 O ATOM 216 CB GLU A 14 -4.114 -13.452 3.209 1.00 0.00 C ATOM 217 CG GLU A 14 -5.298 -14.080 3.945 1.00 0.00 C ATOM 218 CD GLU A 14 -5.246 -13.758 5.440 1.00 0.00 C ATOM 219 OE1 GLU A 14 -5.551 -12.625 5.841 1.00 0.00 O ATOM 220 OE2 GLU A 14 -4.873 -14.734 6.195 1.00 0.00 O ATOM 0 H GLU A 14 -4.841 -13.375 0.814 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.479 -11.843 2.927 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.715 -14.161 2.483 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -3.314 -13.237 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.232 -13.710 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.289 -15.160 3.801 1.00 0.00 H new ATOM 228 N MET A 15 -2.542 -10.994 1.798 1.00 0.00 N ATOM 229 CA MET A 15 -1.494 -9.992 1.878 1.00 0.00 C ATOM 230 C MET A 15 -1.987 -8.639 1.360 1.00 0.00 C ATOM 231 O MET A 15 -1.712 -7.602 1.960 1.00 0.00 O ATOM 232 CB MET A 15 -0.289 -10.447 1.053 1.00 0.00 C ATOM 233 CG MET A 15 0.541 -11.481 1.818 1.00 0.00 C ATOM 234 SD MET A 15 2.088 -11.766 0.977 1.00 0.00 S ATOM 235 CE MET A 15 3.144 -10.644 1.877 1.00 0.00 C ATOM 0 H MET A 15 -2.472 -11.621 0.997 1.00 0.00 H new ATOM 0 HA MET A 15 -1.207 -9.876 2.923 1.00 0.00 H new ATOM 0 HB2 MET A 15 -0.630 -10.875 0.110 1.00 0.00 H new ATOM 0 HB3 MET A 15 0.333 -9.587 0.806 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.729 -11.130 2.833 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.014 -12.415 1.902 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.156 -10.697 1.476 1.00 0.00 H new ATOM 0 HE2 MET A 15 2.766 -9.627 1.774 1.00 0.00 H new ATOM 0 HE3 MET A 15 3.156 -10.922 2.931 1.00 0.00 H new ATOM 245 N GLN A 16 -2.707 -8.695 0.248 1.00 0.00 N ATOM 246 CA GLN A 16 -3.243 -7.488 -0.358 1.00 0.00 C ATOM 247 C GLN A 16 -4.242 -6.817 0.585 1.00 0.00 C ATOM 248 O GLN A 16 -4.320 -5.590 0.643 1.00 0.00 O ATOM 249 CB GLN A 16 -3.886 -7.793 -1.712 1.00 0.00 C ATOM 250 CG GLN A 16 -4.010 -6.525 -2.559 1.00 0.00 C ATOM 251 CD GLN A 16 -5.479 -6.189 -2.830 1.00 0.00 C ATOM 252 OE1 GLN A 16 -6.390 -6.781 -2.274 1.00 0.00 O ATOM 253 NE2 GLN A 16 -5.656 -5.208 -3.711 1.00 0.00 N ATOM 0 H GLN A 16 -2.931 -9.557 -0.248 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.419 -6.797 -0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.288 -8.533 -2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.873 -8.231 -1.560 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.531 -5.692 -2.045 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.484 -6.661 -3.504 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.848 -4.755 -4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.599 -4.909 -3.958 1.00 0.00 H new ATOM 262 N LYS A 17 -4.981 -7.651 1.302 1.00 0.00 N ATOM 263 CA LYS A 17 -5.974 -7.155 2.240 1.00 0.00 C ATOM 264 C LYS A 17 -5.270 -6.660 3.505 1.00 0.00 C ATOM 265 O LYS A 17 -5.636 -5.625 4.059 1.00 0.00 O ATOM 266 CB LYS A 17 -7.040 -8.218 2.507 1.00 0.00 C ATOM 267 CG LYS A 17 -8.322 -7.586 3.051 1.00 0.00 C ATOM 268 CD LYS A 17 -8.309 -7.554 4.581 1.00 0.00 C ATOM 269 CE LYS A 17 -8.077 -8.952 5.157 1.00 0.00 C ATOM 270 NZ LYS A 17 -9.040 -9.232 6.245 1.00 0.00 N ATOM 0 H LYS A 17 -4.912 -8.667 1.252 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.507 -6.304 1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.259 -8.757 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.659 -8.948 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.426 -6.573 2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.187 -8.151 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.526 -6.880 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.256 -7.158 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.183 -9.698 4.369 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.058 -9.031 5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.868 -10.185 6.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.920 -8.531 7.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.010 -9.177 5.873 1.00 0.00 H new ATOM 283 N GLU A 18 -4.271 -7.423 3.925 1.00 0.00 N ATOM 284 CA GLU A 18 -3.513 -7.076 5.115 1.00 0.00 C ATOM 285 C GLU A 18 -2.697 -5.804 4.871 1.00 0.00 C ATOM 286 O GLU A 18 -2.601 -4.946 5.749 1.00 0.00 O ATOM 287 CB GLU A 18 -2.610 -8.232 5.548 1.00 0.00 C ATOM 288 CG GLU A 18 -2.032 -7.986 6.943 1.00 0.00 C ATOM 289 CD GLU A 18 -0.601 -7.457 6.859 1.00 0.00 C ATOM 290 OE1 GLU A 18 -0.195 -6.928 5.813 1.00 0.00 O ATOM 291 OE2 GLU A 18 0.101 -7.609 7.931 1.00 0.00 O ATOM 0 H GLU A 18 -3.969 -8.280 3.462 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.215 -6.885 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.178 -9.162 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.798 -8.352 4.831 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.657 -7.271 7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.047 -8.914 7.515 1.00 0.00 H new ATOM 299 N ILE A 19 -2.130 -5.721 3.677 1.00 0.00 N ATOM 300 CA ILE A 19 -1.326 -4.569 3.307 1.00 0.00 C ATOM 301 C ILE A 19 -2.246 -3.386 3.007 1.00 0.00 C ATOM 302 O ILE A 19 -2.038 -2.287 3.519 1.00 0.00 O ATOM 303 CB ILE A 19 -0.383 -4.923 2.155 1.00 0.00 C ATOM 304 CG1 ILE A 19 -1.140 -4.990 0.827 1.00 0.00 C ATOM 305 CG2 ILE A 19 0.379 -6.217 2.447 1.00 0.00 C ATOM 306 CD1 ILE A 19 -0.249 -5.543 -0.285 1.00 0.00 C ATOM 0 H ILE A 19 -2.212 -6.434 2.952 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.683 -4.271 4.135 1.00 0.00 H new ATOM 0 HB ILE A 19 0.357 -4.128 2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.022 -5.621 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.492 -3.995 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.042 -6.445 1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.969 -6.095 3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.330 -7.034 2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.812 -5.580 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.620 -4.897 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.082 -6.547 -0.021 1.00 0.00 H new ATOM 318 N ALA A 20 -3.247 -3.649 2.179 1.00 0.00 N ATOM 319 CA ALA A 20 -4.200 -2.618 1.805 1.00 0.00 C ATOM 320 C ALA A 20 -4.798 -2.001 3.070 1.00 0.00 C ATOM 321 O ALA A 20 -5.104 -0.809 3.099 1.00 0.00 O ATOM 322 CB ALA A 20 -5.268 -3.219 0.889 1.00 0.00 C ATOM 0 H ALA A 20 -3.418 -4.562 1.757 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.706 -1.820 1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.983 -2.446 0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.795 -3.619 -0.008 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -5.788 -4.021 1.413 1.00 0.00 H new ATOM 328 N LEU A 21 -4.948 -2.837 4.086 1.00 0.00 N ATOM 329 CA LEU A 21 -5.504 -2.388 5.352 1.00 0.00 C ATOM 330 C LEU A 21 -4.491 -1.483 6.056 1.00 0.00 C ATOM 331 O LEU A 21 -4.780 -0.320 6.334 1.00 0.00 O ATOM 332 CB LEU A 21 -5.952 -3.583 6.195 1.00 0.00 C ATOM 333 CG LEU A 21 -6.244 -3.293 7.669 1.00 0.00 C ATOM 334 CD1 LEU A 21 -7.699 -3.616 8.013 1.00 0.00 C ATOM 335 CD2 LEU A 21 -5.261 -4.032 8.578 1.00 0.00 C ATOM 0 H LEU A 21 -4.694 -3.824 4.059 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.401 -1.793 5.184 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.850 -4.004 5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.179 -4.350 6.142 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.102 -2.226 7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.880 -3.401 9.066 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.362 -3.006 7.399 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.893 -4.671 7.819 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.491 -3.809 9.620 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.346 -5.106 8.410 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.244 -3.709 8.353 1.00 0.00 H new ATOM 347 N ILE A 22 -3.325 -2.051 6.324 1.00 0.00 N ATOM 348 CA ILE A 22 -2.268 -1.310 6.991 1.00 0.00 C ATOM 349 C ILE A 22 -1.914 -0.075 6.160 1.00 0.00 C ATOM 350 O ILE A 22 -1.419 0.917 6.695 1.00 0.00 O ATOM 351 CB ILE A 22 -1.073 -2.221 7.276 1.00 0.00 C ATOM 352 CG1 ILE A 22 -1.497 -3.444 8.093 1.00 0.00 C ATOM 353 CG2 ILE A 22 0.061 -1.446 7.952 1.00 0.00 C ATOM 354 CD1 ILE A 22 -0.459 -4.563 7.986 1.00 0.00 C ATOM 0 H ILE A 22 -3.089 -3.016 6.091 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.608 -0.954 7.964 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.690 -2.587 6.323 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.625 -3.161 9.138 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.463 -3.804 7.740 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.898 -2.118 8.143 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.388 -0.636 7.300 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.294 -1.031 8.895 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -0.785 -5.420 8.576 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.351 -4.861 6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.500 -4.207 8.363 1.00 0.00 H new ATOM 366 N LEU A 23 -2.185 -0.174 4.867 1.00 0.00 N ATOM 367 CA LEU A 23 -1.901 0.923 3.957 1.00 0.00 C ATOM 368 C LEU A 23 -3.106 1.864 3.909 1.00 0.00 C ATOM 369 O LEU A 23 -2.994 2.998 3.446 1.00 0.00 O ATOM 370 CB LEU A 23 -1.484 0.388 2.586 1.00 0.00 C ATOM 371 CG LEU A 23 -0.532 1.276 1.782 1.00 0.00 C ATOM 372 CD1 LEU A 23 0.708 1.637 2.602 1.00 0.00 C ATOM 373 CD2 LEU A 23 -0.166 0.620 0.449 1.00 0.00 C ATOM 0 H LEU A 23 -2.598 -0.997 4.428 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.054 1.507 4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.012 -0.584 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.384 0.223 1.993 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.048 2.208 1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.367 2.268 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.406 2.174 3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.236 0.726 2.884 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.511 1.271 -0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.322 -0.336 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.071 0.457 -0.137 1.00 0.00 H new ATOM 385 N GLN A 24 -4.230 1.358 4.395 1.00 0.00 N ATOM 386 CA GLN A 24 -5.456 2.140 4.413 1.00 0.00 C ATOM 387 C GLN A 24 -5.812 2.535 5.847 1.00 0.00 C ATOM 388 O GLN A 24 -6.754 3.295 6.071 1.00 0.00 O ATOM 389 CB GLN A 24 -6.604 1.375 3.753 1.00 0.00 C ATOM 390 CG GLN A 24 -6.459 1.374 2.230 1.00 0.00 C ATOM 391 CD GLN A 24 -7.374 0.326 1.593 1.00 0.00 C ATOM 392 OE1 GLN A 24 -6.961 -0.484 0.780 1.00 0.00 O ATOM 393 NE2 GLN A 24 -8.637 0.388 2.007 1.00 0.00 N ATOM 0 H GLN A 24 -4.318 0.417 4.779 1.00 0.00 H new ATOM 0 HA GLN A 24 -5.292 3.050 3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.621 0.349 4.121 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.555 1.829 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.702 2.361 1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.423 1.170 1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.916 1.092 2.691 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.327 -0.268 1.641 1.00 0.00 H new ATOM 402 N ARG A 25 -5.041 2.000 6.784 1.00 0.00 N ATOM 403 CA ARG A 25 -5.264 2.287 8.191 1.00 0.00 C ATOM 404 C ARG A 25 -4.067 3.040 8.774 1.00 0.00 C ATOM 405 O ARG A 25 -4.228 4.116 9.349 1.00 0.00 O ATOM 406 CB ARG A 25 -5.485 0.999 8.987 1.00 0.00 C ATOM 407 CG ARG A 25 -6.959 0.591 8.973 1.00 0.00 C ATOM 408 CD ARG A 25 -7.266 -0.394 10.104 1.00 0.00 C ATOM 409 NE ARG A 25 -7.372 0.329 11.390 1.00 0.00 N ATOM 410 CZ ARG A 25 -8.509 0.887 11.855 1.00 0.00 C ATOM 411 NH1 ARG A 25 -9.652 0.810 11.140 1.00 0.00 N ATOM 412 NH2 ARG A 25 -8.488 1.510 13.019 1.00 0.00 N ATOM 0 H ARG A 25 -4.262 1.370 6.596 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.159 2.905 8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.878 0.198 8.565 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.153 1.142 10.015 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.586 1.476 9.077 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.205 0.137 8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -8.197 -0.921 9.896 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.480 -1.147 10.165 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.532 0.411 11.962 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -9.660 0.327 10.241 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.507 1.234 11.499 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.621 1.564 13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.339 1.937 13.384 1.00 0.00 H new ATOM 425 N GLU A 26 -2.896 2.446 8.608 1.00 0.00 N ATOM 426 CA GLU A 26 -1.673 3.047 9.112 1.00 0.00 C ATOM 427 C GLU A 26 -1.314 4.287 8.289 1.00 0.00 C ATOM 428 O GLU A 26 -0.493 5.101 8.713 1.00 0.00 O ATOM 429 CB GLU A 26 -0.523 2.038 9.111 1.00 0.00 C ATOM 430 CG GLU A 26 0.451 2.317 7.965 1.00 0.00 C ATOM 431 CD GLU A 26 1.457 3.403 8.353 1.00 0.00 C ATOM 432 OE1 GLU A 26 2.178 3.251 9.350 1.00 0.00 O ATOM 433 OE2 GLU A 26 1.473 4.433 7.578 1.00 0.00 O ATOM 0 H GLU A 26 -2.767 1.554 8.131 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.841 3.354 10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.007 2.084 10.062 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.921 1.028 9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.982 1.402 7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.103 2.629 7.080 1.00 0.00 H new ATOM 441 N ILE A 27 -1.946 4.393 7.130 1.00 0.00 N ATOM 442 CA ILE A 27 -1.703 5.519 6.245 1.00 0.00 C ATOM 443 C ILE A 27 -2.601 6.688 6.658 1.00 0.00 C ATOM 444 O ILE A 27 -3.356 6.585 7.623 1.00 0.00 O ATOM 445 CB ILE A 27 -1.875 5.098 4.784 1.00 0.00 C ATOM 446 CG1 ILE A 27 -0.821 5.763 3.895 1.00 0.00 C ATOM 447 CG2 ILE A 27 -3.296 5.381 4.295 1.00 0.00 C ATOM 448 CD1 ILE A 27 -1.445 6.278 2.597 1.00 0.00 C ATOM 0 H ILE A 27 -2.627 3.717 6.783 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.672 5.860 6.335 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.721 4.021 4.719 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.356 6.590 4.432 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.031 5.048 3.664 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.391 5.072 3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.008 4.825 4.905 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.503 6.448 4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.675 6.746 1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.888 5.445 2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.218 7.011 2.830 1.00 0.00 H new ATOM 460 N LYS A 28 -2.486 7.773 5.906 1.00 0.00 N ATOM 461 CA LYS A 28 -3.276 8.960 6.182 1.00 0.00 C ATOM 462 C LYS A 28 -4.642 8.829 5.504 1.00 0.00 C ATOM 463 O LYS A 28 -4.897 9.469 4.486 1.00 0.00 O ATOM 464 CB LYS A 28 -2.508 10.221 5.778 1.00 0.00 C ATOM 465 CG LYS A 28 -1.520 10.635 6.871 1.00 0.00 C ATOM 466 CD LYS A 28 -0.417 9.587 7.039 1.00 0.00 C ATOM 467 CE LYS A 28 -0.679 8.707 8.262 1.00 0.00 C ATOM 468 NZ LYS A 28 0.461 8.777 9.203 1.00 0.00 N ATOM 0 H LYS A 28 -1.858 7.854 5.106 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.459 9.054 7.252 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.971 10.041 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.209 11.034 5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.076 11.598 6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.050 10.765 7.815 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.361 8.966 6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.548 10.083 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.592 9.031 8.762 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.837 7.675 7.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.268 8.174 10.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.325 8.446 8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.593 9.760 9.516 1.00 0.00 H new ATOM 481 N ASP A 29 -5.482 7.993 6.095 1.00 0.00 N ATOM 482 CA ASP A 29 -6.814 7.770 5.562 1.00 0.00 C ATOM 483 C ASP A 29 -7.805 8.697 6.267 1.00 0.00 C ATOM 484 O ASP A 29 -8.543 9.433 5.616 1.00 0.00 O ATOM 485 CB ASP A 29 -7.267 6.327 5.797 1.00 0.00 C ATOM 486 CG ASP A 29 -8.729 6.168 6.218 1.00 0.00 C ATOM 487 OD1 ASP A 29 -9.594 5.811 5.403 1.00 0.00 O ATOM 488 OD2 ASP A 29 -8.972 6.431 7.458 1.00 0.00 O ATOM 0 H ASP A 29 -5.266 7.462 6.938 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.785 7.970 4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.104 5.758 4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.633 5.884 6.565 1.00 0.00 H new ATOM 494 N PRO A 30 -7.789 8.628 7.626 1.00 0.00 N ATOM 495 CA PRO A 30 -8.677 9.453 8.428 1.00 0.00 C ATOM 496 C PRO A 30 -8.196 10.905 8.460 1.00 0.00 C ATOM 497 O PRO A 30 -9.002 11.827 8.568 1.00 0.00 O ATOM 498 CB PRO A 30 -8.689 8.801 9.799 1.00 0.00 C ATOM 499 CG PRO A 30 -7.455 7.913 9.849 1.00 0.00 C ATOM 500 CD PRO A 30 -6.927 7.767 8.431 1.00 0.00 C ATOM 0 HA PRO A 30 -9.686 9.506 8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.662 9.552 10.589 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.597 8.216 9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.695 8.352 10.496 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.704 6.937 10.266 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -5.884 8.075 8.363 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.976 6.731 8.095 1.00 0.00 H new ATOM 508 N ARG A 31 -6.883 11.063 8.364 1.00 0.00 N ATOM 509 CA ARG A 31 -6.286 12.387 8.383 1.00 0.00 C ATOM 510 C ARG A 31 -6.619 13.137 7.090 1.00 0.00 C ATOM 511 O ARG A 31 -7.240 14.197 7.126 1.00 0.00 O ATOM 512 CB ARG A 31 -4.766 12.302 8.538 1.00 0.00 C ATOM 513 CG ARG A 31 -4.368 11.089 9.380 1.00 0.00 C ATOM 514 CD ARG A 31 -3.006 11.304 10.042 1.00 0.00 C ATOM 515 NE ARG A 31 -3.188 11.668 11.465 1.00 0.00 N ATOM 516 CZ ARG A 31 -3.315 10.771 12.466 1.00 0.00 C ATOM 517 NH1 ARG A 31 -3.284 9.447 12.207 1.00 0.00 N ATOM 518 NH2 ARG A 31 -3.473 11.209 13.702 1.00 0.00 N ATOM 0 H ARG A 31 -6.217 10.296 8.273 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.698 12.926 9.236 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.300 12.236 7.555 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.393 13.213 9.007 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.124 10.909 10.145 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.334 10.200 8.750 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.407 10.397 9.964 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.460 12.092 9.523 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.219 12.659 11.705 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.164 9.117 11.249 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.381 8.776 12.969 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.498 12.211 13.889 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.570 10.545 14.470 1.00 0.00 H new ATOM 531 N LEU A 32 -6.188 12.556 5.980 1.00 0.00 N ATOM 532 CA LEU A 32 -6.433 13.156 4.679 1.00 0.00 C ATOM 533 C LEU A 32 -7.941 13.303 4.465 1.00 0.00 C ATOM 534 O LEU A 32 -8.384 14.188 3.734 1.00 0.00 O ATOM 535 CB LEU A 32 -5.731 12.355 3.580 1.00 0.00 C ATOM 536 CG LEU A 32 -4.278 12.739 3.294 1.00 0.00 C ATOM 537 CD1 LEU A 32 -3.624 13.367 4.527 1.00 0.00 C ATOM 538 CD2 LEU A 32 -3.485 11.539 2.774 1.00 0.00 C ATOM 0 H LEU A 32 -5.671 11.677 5.954 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.006 14.158 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.760 11.300 3.852 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.303 12.463 2.658 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.273 13.493 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.592 13.631 4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.173 14.264 4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.641 12.654 5.351 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.456 11.840 2.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.496 10.745 3.521 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.938 11.176 1.851 1.00 0.00 H new ATOM 550 N GLY A 33 -8.688 12.422 5.114 1.00 0.00 N ATOM 551 CA GLY A 33 -10.136 12.442 5.004 1.00 0.00 C ATOM 552 C GLY A 33 -10.600 11.710 3.744 1.00 0.00 C ATOM 553 O GLY A 33 -11.516 12.164 3.060 1.00 0.00 O ATOM 0 H GLY A 33 -8.317 11.689 5.718 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.578 11.974 5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.488 13.473 4.980 1.00 0.00 H new ATOM 557 N MET A 34 -9.949 10.588 3.478 1.00 0.00 N ATOM 558 CA MET A 34 -10.283 9.788 2.311 1.00 0.00 C ATOM 559 C MET A 34 -10.082 8.296 2.594 1.00 0.00 C ATOM 560 O MET A 34 -9.785 7.910 3.722 1.00 0.00 O ATOM 561 CB MET A 34 -9.404 10.207 1.133 1.00 0.00 C ATOM 562 CG MET A 34 -9.605 11.687 0.798 1.00 0.00 C ATOM 563 SD MET A 34 -8.374 12.222 -0.377 1.00 0.00 S ATOM 564 CE MET A 34 -7.619 13.550 0.547 1.00 0.00 C ATOM 0 H MET A 34 -9.192 10.213 4.050 1.00 0.00 H new ATOM 0 HA MET A 34 -11.332 9.956 2.068 1.00 0.00 H new ATOM 0 HB2 MET A 34 -8.357 10.024 1.373 1.00 0.00 H new ATOM 0 HB3 MET A 34 -9.643 9.597 0.261 1.00 0.00 H new ATOM 0 HG2 MET A 34 -10.603 11.843 0.388 1.00 0.00 H new ATOM 0 HG3 MET A 34 -9.537 12.286 1.706 1.00 0.00 H new ATOM 0 HE1 MET A 34 -7.600 14.453 -0.063 1.00 0.00 H new ATOM 0 HE2 MET A 34 -8.196 13.737 1.453 1.00 0.00 H new ATOM 0 HE3 MET A 34 -6.600 13.272 0.816 1.00 0.00 H new ATOM 574 N MET A 35 -10.250 7.502 1.548 1.00 0.00 N ATOM 575 CA MET A 35 -10.091 6.063 1.668 1.00 0.00 C ATOM 576 C MET A 35 -9.194 5.516 0.556 1.00 0.00 C ATOM 577 O MET A 35 -9.687 5.018 -0.457 1.00 0.00 O ATOM 578 CB MET A 35 -11.462 5.388 1.597 1.00 0.00 C ATOM 579 CG MET A 35 -11.602 4.315 2.678 1.00 0.00 C ATOM 580 SD MET A 35 -12.882 3.156 2.226 1.00 0.00 S ATOM 581 CE MET A 35 -11.893 1.698 1.942 1.00 0.00 C ATOM 0 H MET A 35 -10.495 7.828 0.613 1.00 0.00 H new ATOM 0 HA MET A 35 -9.621 5.848 2.628 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.246 6.136 1.718 1.00 0.00 H new ATOM 0 HB3 MET A 35 -11.599 4.938 0.614 1.00 0.00 H new ATOM 0 HG2 MET A 35 -10.655 3.791 2.807 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.842 4.780 3.634 1.00 0.00 H new ATOM 0 HE1 MET A 35 -12.540 0.871 1.649 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.174 1.895 1.147 1.00 0.00 H new ATOM 0 HE3 MET A 35 -11.361 1.436 2.856 1.00 0.00 H new ATOM 591 N THR A 36 -7.892 5.625 0.780 1.00 0.00 N ATOM 592 CA THR A 36 -6.923 5.147 -0.191 1.00 0.00 C ATOM 593 C THR A 36 -7.314 3.757 -0.696 1.00 0.00 C ATOM 594 O THR A 36 -7.866 2.953 0.052 1.00 0.00 O ATOM 595 CB THR A 36 -5.540 5.190 0.462 1.00 0.00 C ATOM 596 OG1 THR A 36 -5.632 4.249 1.529 1.00 0.00 O ATOM 597 CG2 THR A 36 -5.262 6.522 1.162 1.00 0.00 C ATOM 0 H THR A 36 -7.486 6.037 1.620 1.00 0.00 H new ATOM 0 HA THR A 36 -6.901 5.784 -1.075 1.00 0.00 H new ATOM 0 HB THR A 36 -4.776 5.013 -0.295 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.732 3.971 1.798 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.268 6.498 1.608 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.314 7.333 0.435 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.006 6.685 1.942 1.00 0.00 H new ATOM 605 N THR A 37 -7.013 3.516 -1.964 1.00 0.00 N ATOM 606 CA THR A 37 -7.326 2.238 -2.577 1.00 0.00 C ATOM 607 C THR A 37 -6.065 1.610 -3.175 1.00 0.00 C ATOM 608 O THR A 37 -5.068 2.297 -3.394 1.00 0.00 O ATOM 609 CB THR A 37 -8.435 2.467 -3.606 1.00 0.00 C ATOM 610 OG1 THR A 37 -9.634 2.438 -2.837 1.00 0.00 O ATOM 611 CG2 THR A 37 -8.586 1.293 -4.576 1.00 0.00 C ATOM 0 H THR A 37 -6.555 4.185 -2.583 1.00 0.00 H new ATOM 0 HA THR A 37 -7.689 1.524 -1.838 1.00 0.00 H new ATOM 0 HB THR A 37 -8.226 3.377 -4.168 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.404 2.580 -3.426 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.386 1.507 -5.285 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.651 1.146 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 37 -8.828 0.389 -4.018 1.00 0.00 H new ATOM 619 N VAL A 38 -6.149 0.310 -3.418 1.00 0.00 N ATOM 620 CA VAL A 38 -5.026 -0.419 -3.985 1.00 0.00 C ATOM 621 C VAL A 38 -5.438 -1.013 -5.332 1.00 0.00 C ATOM 622 O VAL A 38 -5.940 -2.135 -5.394 1.00 0.00 O ATOM 623 CB VAL A 38 -4.533 -1.474 -2.991 1.00 0.00 C ATOM 624 CG1 VAL A 38 -5.685 -2.365 -2.522 1.00 0.00 C ATOM 625 CG2 VAL A 38 -3.404 -2.311 -3.596 1.00 0.00 C ATOM 0 H VAL A 38 -6.976 -0.257 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.187 0.252 -4.169 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.135 -0.954 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.308 -3.106 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.443 -1.753 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.125 -2.872 -3.380 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.072 -3.053 -2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.765 -2.816 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.569 -1.661 -3.858 1.00 0.00 H new ATOM 635 N SER A 39 -5.210 -0.235 -6.380 1.00 0.00 N ATOM 636 CA SER A 39 -5.551 -0.669 -7.725 1.00 0.00 C ATOM 637 C SER A 39 -4.340 -1.334 -8.382 1.00 0.00 C ATOM 638 O SER A 39 -4.187 -1.284 -9.602 1.00 0.00 O ATOM 639 CB SER A 39 -6.041 0.505 -8.576 1.00 0.00 C ATOM 640 OG SER A 39 -7.332 0.263 -9.125 1.00 0.00 O ATOM 0 H SER A 39 -4.793 0.694 -6.325 1.00 0.00 H new ATOM 0 HA SER A 39 -6.362 -1.394 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.070 1.408 -7.966 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.332 0.688 -9.383 1.00 0.00 H new ATOM 0 HG SER A 39 -7.610 1.036 -9.660 1.00 0.00 H new ATOM 646 N GLY A 40 -3.510 -1.939 -7.545 1.00 0.00 N ATOM 647 CA GLY A 40 -2.317 -2.612 -8.031 1.00 0.00 C ATOM 648 C GLY A 40 -1.611 -3.360 -6.899 1.00 0.00 C ATOM 649 O GLY A 40 -1.457 -2.829 -5.800 1.00 0.00 O ATOM 0 H GLY A 40 -3.640 -1.977 -6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.587 -3.312 -8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.636 -1.882 -8.470 1.00 0.00 H new ATOM 653 N VAL A 41 -1.201 -4.582 -7.206 1.00 0.00 N ATOM 654 CA VAL A 41 -0.513 -5.408 -6.228 1.00 0.00 C ATOM 655 C VAL A 41 0.550 -6.250 -6.935 1.00 0.00 C ATOM 656 O VAL A 41 0.234 -7.029 -7.833 1.00 0.00 O ATOM 657 CB VAL A 41 -1.527 -6.252 -5.452 1.00 0.00 C ATOM 658 CG1 VAL A 41 -1.210 -6.251 -3.956 1.00 0.00 C ATOM 659 CG2 VAL A 41 -2.956 -5.770 -5.711 1.00 0.00 C ATOM 0 H VAL A 41 -1.332 -5.020 -8.118 1.00 0.00 H new ATOM 0 HA VAL A 41 0.001 -4.786 -5.495 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.451 -7.279 -5.810 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.945 -6.858 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.215 -6.665 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.244 -5.229 -3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.656 -6.387 -5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.052 -4.731 -5.395 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.179 -5.848 -6.775 1.00 0.00 H new ATOM 669 N GLU A 42 1.789 -6.066 -6.502 1.00 0.00 N ATOM 670 CA GLU A 42 2.901 -6.800 -7.082 1.00 0.00 C ATOM 671 C GLU A 42 3.803 -7.355 -5.979 1.00 0.00 C ATOM 672 O GLU A 42 4.687 -6.658 -5.484 1.00 0.00 O ATOM 673 CB GLU A 42 3.695 -5.918 -8.048 1.00 0.00 C ATOM 674 CG GLU A 42 2.774 -5.279 -9.089 1.00 0.00 C ATOM 675 CD GLU A 42 3.581 -4.711 -10.258 1.00 0.00 C ATOM 676 OE1 GLU A 42 4.053 -5.475 -11.114 1.00 0.00 O ATOM 677 OE2 GLU A 42 3.708 -3.428 -10.262 1.00 0.00 O ATOM 0 H GLU A 42 2.047 -5.419 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 42 2.500 -7.638 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.216 -5.139 -7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.457 -6.515 -8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.066 -6.021 -9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.190 -4.484 -8.625 1.00 0.00 H new ATOM 685 N MET A 43 3.549 -8.606 -5.625 1.00 0.00 N ATOM 686 CA MET A 43 4.329 -9.265 -4.590 1.00 0.00 C ATOM 687 C MET A 43 5.326 -10.253 -5.197 1.00 0.00 C ATOM 688 O MET A 43 4.948 -11.352 -5.601 1.00 0.00 O ATOM 689 CB MET A 43 3.388 -10.008 -3.637 1.00 0.00 C ATOM 690 CG MET A 43 2.029 -9.311 -3.555 1.00 0.00 C ATOM 691 SD MET A 43 0.843 -10.160 -4.583 1.00 0.00 S ATOM 692 CE MET A 43 -0.677 -9.594 -3.836 1.00 0.00 C ATOM 0 H MET A 43 2.814 -9.181 -6.036 1.00 0.00 H new ATOM 0 HA MET A 43 4.888 -8.505 -4.045 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.254 -11.034 -3.979 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.835 -10.058 -2.644 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.681 -9.295 -2.522 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.123 -8.274 -3.876 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.494 -10.253 -4.129 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.575 -9.603 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.891 -8.579 -4.171 1.00 0.00 H new ATOM 702 N SER A 44 6.579 -9.826 -5.243 1.00 0.00 N ATOM 703 CA SER A 44 7.633 -10.660 -5.795 1.00 0.00 C ATOM 704 C SER A 44 8.617 -11.056 -4.693 1.00 0.00 C ATOM 705 O SER A 44 9.424 -10.239 -4.253 1.00 0.00 O ATOM 706 CB SER A 44 8.368 -9.940 -6.929 1.00 0.00 C ATOM 707 OG SER A 44 7.718 -10.117 -8.185 1.00 0.00 O ATOM 0 H SER A 44 6.888 -8.914 -4.907 1.00 0.00 H new ATOM 0 HA SER A 44 7.177 -11.560 -6.207 1.00 0.00 H new ATOM 0 HB2 SER A 44 8.432 -8.876 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.390 -10.314 -6.994 1.00 0.00 H new ATOM 0 HG SER A 44 8.217 -9.641 -8.881 1.00 0.00 H new ATOM 713 N ARG A 45 8.519 -12.312 -4.280 1.00 0.00 N ATOM 714 CA ARG A 45 9.390 -12.827 -3.237 1.00 0.00 C ATOM 715 C ARG A 45 10.518 -13.659 -3.852 1.00 0.00 C ATOM 716 O ARG A 45 11.371 -14.180 -3.135 1.00 0.00 O ATOM 717 CB ARG A 45 8.609 -13.692 -2.245 1.00 0.00 C ATOM 718 CG ARG A 45 7.166 -13.204 -2.110 1.00 0.00 C ATOM 719 CD ARG A 45 6.706 -13.252 -0.651 1.00 0.00 C ATOM 720 NE ARG A 45 7.404 -14.344 0.063 1.00 0.00 N ATOM 721 CZ ARG A 45 7.143 -15.656 -0.118 1.00 0.00 C ATOM 722 NH1 ARG A 45 6.196 -16.050 -0.996 1.00 0.00 N ATOM 723 NH2 ARG A 45 7.828 -16.547 0.575 1.00 0.00 N ATOM 0 H ARG A 45 7.850 -12.988 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 45 9.811 -11.974 -2.704 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.616 -14.730 -2.578 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.098 -13.666 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.086 -12.184 -2.487 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.510 -13.823 -2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 45 6.912 -12.298 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.628 -13.407 -0.606 1.00 0.00 H new ATOM 0 HE ARG A 45 8.128 -14.089 0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.672 -15.355 -1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.004 -17.043 -1.128 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.542 -16.240 1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.643 -17.542 0.450 1.00 0.00 H new ATOM 736 N ASP A 46 10.486 -13.757 -5.172 1.00 0.00 N ATOM 737 CA ASP A 46 11.495 -14.517 -5.892 1.00 0.00 C ATOM 738 C ASP A 46 12.884 -14.070 -5.436 1.00 0.00 C ATOM 739 O ASP A 46 13.857 -14.808 -5.578 1.00 0.00 O ATOM 740 CB ASP A 46 11.392 -14.280 -7.399 1.00 0.00 C ATOM 741 CG ASP A 46 10.611 -15.346 -8.169 1.00 0.00 C ATOM 742 OD1 ASP A 46 9.711 -15.031 -8.965 1.00 0.00 O ATOM 743 OD2 ASP A 46 10.963 -16.562 -7.927 1.00 0.00 O ATOM 0 H ASP A 46 9.777 -13.323 -5.763 1.00 0.00 H new ATOM 0 HA ASP A 46 11.334 -15.575 -5.683 1.00 0.00 H new ATOM 0 HB2 ASP A 46 10.920 -13.312 -7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 46 12.399 -14.220 -7.812 1.00 0.00 H new ATOM 749 N LEU A 47 12.934 -12.859 -4.896 1.00 0.00 N ATOM 750 CA LEU A 47 14.189 -12.305 -4.418 1.00 0.00 C ATOM 751 C LEU A 47 13.924 -11.450 -3.179 1.00 0.00 C ATOM 752 O LEU A 47 14.415 -11.754 -2.091 1.00 0.00 O ATOM 753 CB LEU A 47 14.905 -11.554 -5.543 1.00 0.00 C ATOM 754 CG LEU A 47 16.172 -12.216 -6.091 1.00 0.00 C ATOM 755 CD1 LEU A 47 16.295 -11.999 -7.600 1.00 0.00 C ATOM 756 CD2 LEU A 47 17.413 -11.730 -5.339 1.00 0.00 C ATOM 0 H LEU A 47 12.126 -12.248 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 47 14.868 -13.102 -4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.204 -11.419 -6.367 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.166 -10.560 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 47 16.095 -13.291 -5.926 1.00 0.00 H new ATOM 0 HD11 LEU A 47 17.203 -12.479 -7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 47 15.430 -12.432 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 47 16.340 -10.931 -7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.299 -12.215 -5.748 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.507 -10.650 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 47 17.318 -11.978 -4.282 1.00 0.00 H new ATOM 768 N ALA A 48 13.149 -10.394 -3.381 1.00 0.00 N ATOM 769 CA ALA A 48 12.813 -9.491 -2.294 1.00 0.00 C ATOM 770 C ALA A 48 12.281 -8.178 -2.873 1.00 0.00 C ATOM 771 O ALA A 48 13.000 -7.181 -2.920 1.00 0.00 O ATOM 772 CB ALA A 48 14.041 -9.282 -1.406 1.00 0.00 C ATOM 0 H ALA A 48 12.744 -10.144 -4.283 1.00 0.00 H new ATOM 0 HA ALA A 48 12.028 -9.917 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.789 -8.604 -0.590 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.361 -10.240 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.849 -8.852 -1.998 1.00 0.00 H new ATOM 778 N TYR A 49 11.027 -8.221 -3.297 1.00 0.00 N ATOM 779 CA TYR A 49 10.391 -7.046 -3.869 1.00 0.00 C ATOM 780 C TYR A 49 8.867 -7.145 -3.771 1.00 0.00 C ATOM 781 O TYR A 49 8.293 -8.205 -4.016 1.00 0.00 O ATOM 782 CB TYR A 49 10.794 -7.026 -5.345 1.00 0.00 C ATOM 783 CG TYR A 49 12.292 -7.223 -5.583 1.00 0.00 C ATOM 784 CD1 TYR A 49 13.181 -6.222 -5.251 1.00 0.00 C ATOM 785 CD2 TYR A 49 12.754 -8.403 -6.131 1.00 0.00 C ATOM 786 CE1 TYR A 49 14.592 -6.406 -5.476 1.00 0.00 C ATOM 787 CE2 TYR A 49 14.165 -8.589 -6.356 1.00 0.00 C ATOM 788 CZ TYR A 49 15.013 -7.580 -6.017 1.00 0.00 C ATOM 789 OH TYR A 49 16.346 -7.755 -6.229 1.00 0.00 O ATOM 0 H TYR A 49 10.434 -9.050 -3.256 1.00 0.00 H new ATOM 0 HA TYR A 49 10.700 -6.145 -3.338 1.00 0.00 H new ATOM 0 HB2 TYR A 49 10.247 -7.808 -5.871 1.00 0.00 H new ATOM 0 HB3 TYR A 49 10.489 -6.075 -5.782 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.819 -5.299 -4.822 1.00 0.00 H new ATOM 0 HD2 TYR A 49 12.058 -9.187 -6.391 1.00 0.00 H new ATOM 0 HE1 TYR A 49 15.298 -5.630 -5.221 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.541 -9.507 -6.783 1.00 0.00 H new ATOM 0 HH TYR A 49 16.502 -8.640 -6.619 1.00 0.00 H new ATOM 799 N ALA A 50 8.255 -6.027 -3.410 1.00 0.00 N ATOM 800 CA ALA A 50 6.810 -5.974 -3.276 1.00 0.00 C ATOM 801 C ALA A 50 6.312 -4.591 -3.702 1.00 0.00 C ATOM 802 O ALA A 50 6.305 -3.657 -2.903 1.00 0.00 O ATOM 803 CB ALA A 50 6.417 -6.316 -1.837 1.00 0.00 C ATOM 0 H ALA A 50 8.734 -5.150 -3.206 1.00 0.00 H new ATOM 0 HA ALA A 50 6.338 -6.710 -3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.332 -6.276 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.767 -7.319 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.871 -5.597 -1.155 1.00 0.00 H new ATOM 809 N LYS A 51 5.909 -4.505 -4.960 1.00 0.00 N ATOM 810 CA LYS A 51 5.411 -3.252 -5.503 1.00 0.00 C ATOM 811 C LYS A 51 3.897 -3.176 -5.293 1.00 0.00 C ATOM 812 O LYS A 51 3.134 -3.828 -6.003 1.00 0.00 O ATOM 813 CB LYS A 51 5.838 -3.093 -6.964 1.00 0.00 C ATOM 814 CG LYS A 51 6.811 -4.200 -7.373 1.00 0.00 C ATOM 815 CD LYS A 51 7.543 -3.834 -8.667 1.00 0.00 C ATOM 816 CE LYS A 51 8.800 -3.013 -8.372 1.00 0.00 C ATOM 817 NZ LYS A 51 9.539 -2.728 -9.623 1.00 0.00 N ATOM 0 H LYS A 51 5.917 -5.283 -5.620 1.00 0.00 H new ATOM 0 HA LYS A 51 5.850 -2.406 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.959 -3.119 -7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.308 -2.120 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.535 -4.366 -6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.268 -5.135 -7.510 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.815 -4.742 -9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.878 -3.266 -9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.525 -2.078 -7.884 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.442 -3.557 -7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.389 -2.170 -9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.818 -3.623 -10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.929 -2.190 -10.272 1.00 0.00 H new ATOM 830 N VAL A 52 3.508 -2.374 -4.314 1.00 0.00 N ATOM 831 CA VAL A 52 2.099 -2.203 -4.000 1.00 0.00 C ATOM 832 C VAL A 52 1.614 -0.866 -4.565 1.00 0.00 C ATOM 833 O VAL A 52 2.398 0.067 -4.719 1.00 0.00 O ATOM 834 CB VAL A 52 1.880 -2.330 -2.491 1.00 0.00 C ATOM 835 CG1 VAL A 52 2.020 -0.972 -1.801 1.00 0.00 C ATOM 836 CG2 VAL A 52 0.519 -2.962 -2.186 1.00 0.00 C ATOM 0 H VAL A 52 4.144 -1.835 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 52 1.505 -2.988 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 52 2.652 -2.989 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.860 -1.090 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.020 -0.576 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.280 -0.281 -2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.388 -3.041 -1.107 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.273 -2.340 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.471 -3.956 -2.631 1.00 0.00 H new ATOM 846 N TYR A 53 0.322 -0.818 -4.857 1.00 0.00 N ATOM 847 CA TYR A 53 -0.278 0.387 -5.401 1.00 0.00 C ATOM 848 C TYR A 53 -1.158 1.081 -4.358 1.00 0.00 C ATOM 849 O TYR A 53 -1.674 0.433 -3.448 1.00 0.00 O ATOM 850 CB TYR A 53 -1.154 -0.068 -6.569 1.00 0.00 C ATOM 851 CG TYR A 53 -1.476 1.041 -7.575 1.00 0.00 C ATOM 852 CD1 TYR A 53 -2.520 1.909 -7.333 1.00 0.00 C ATOM 853 CD2 TYR A 53 -0.720 1.171 -8.724 1.00 0.00 C ATOM 854 CE1 TYR A 53 -2.822 2.953 -8.279 1.00 0.00 C ATOM 855 CE2 TYR A 53 -1.023 2.214 -9.669 1.00 0.00 C ATOM 856 CZ TYR A 53 -2.059 3.053 -9.401 1.00 0.00 C ATOM 857 OH TYR A 53 -2.344 4.038 -10.294 1.00 0.00 O ATOM 0 H TYR A 53 -0.326 -1.595 -4.727 1.00 0.00 H new ATOM 0 HA TYR A 53 0.493 1.094 -5.708 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.652 -0.883 -7.090 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.088 -0.469 -6.175 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.111 1.806 -6.435 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.097 0.491 -8.913 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.636 3.641 -8.101 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.440 2.328 -10.571 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.303 4.238 -10.266 1.00 0.00 H new ATOM 867 N VAL A 54 -1.302 2.387 -4.527 1.00 0.00 N ATOM 868 CA VAL A 54 -2.111 3.174 -3.612 1.00 0.00 C ATOM 869 C VAL A 54 -2.598 4.437 -4.325 1.00 0.00 C ATOM 870 O VAL A 54 -1.791 5.233 -4.805 1.00 0.00 O ATOM 871 CB VAL A 54 -1.318 3.475 -2.340 1.00 0.00 C ATOM 872 CG1 VAL A 54 -1.575 2.412 -1.269 1.00 0.00 C ATOM 873 CG2 VAL A 54 0.176 3.601 -2.640 1.00 0.00 C ATOM 0 H VAL A 54 -0.872 2.920 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.994 2.613 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.662 4.433 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.999 2.650 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.637 2.393 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.273 1.435 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.716 3.815 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.542 2.667 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.337 4.411 -3.351 1.00 0.00 H new ATOM 883 N THR A 55 -3.914 4.580 -4.375 1.00 0.00 N ATOM 884 CA THR A 55 -4.517 5.734 -5.023 1.00 0.00 C ATOM 885 C THR A 55 -5.346 6.536 -4.019 1.00 0.00 C ATOM 886 O THR A 55 -6.274 6.007 -3.410 1.00 0.00 O ATOM 887 CB THR A 55 -5.330 5.232 -6.217 1.00 0.00 C ATOM 888 OG1 THR A 55 -6.512 6.029 -6.193 1.00 0.00 O ATOM 889 CG2 THR A 55 -5.840 3.802 -6.022 1.00 0.00 C ATOM 0 H THR A 55 -4.580 3.917 -3.978 1.00 0.00 H new ATOM 0 HA THR A 55 -3.757 6.422 -5.393 1.00 0.00 H new ATOM 0 HB THR A 55 -4.717 5.278 -7.117 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.096 5.770 -6.936 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.410 3.496 -6.899 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.993 3.129 -5.887 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.480 3.761 -5.141 1.00 0.00 H new ATOM 897 N PHE A 56 -4.979 7.802 -3.876 1.00 0.00 N ATOM 898 CA PHE A 56 -5.678 8.684 -2.955 1.00 0.00 C ATOM 899 C PHE A 56 -6.432 9.779 -3.711 1.00 0.00 C ATOM 900 O PHE A 56 -6.045 10.155 -4.816 1.00 0.00 O ATOM 901 CB PHE A 56 -4.615 9.332 -2.066 1.00 0.00 C ATOM 902 CG PHE A 56 -3.450 8.406 -1.710 1.00 0.00 C ATOM 903 CD1 PHE A 56 -3.697 7.148 -1.257 1.00 0.00 C ATOM 904 CD2 PHE A 56 -2.170 8.840 -1.846 1.00 0.00 C ATOM 905 CE1 PHE A 56 -2.617 6.287 -0.926 1.00 0.00 C ATOM 906 CE2 PHE A 56 -1.090 7.981 -1.515 1.00 0.00 C ATOM 907 CZ PHE A 56 -1.336 6.722 -1.062 1.00 0.00 C ATOM 0 H PHE A 56 -4.208 8.238 -4.382 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.405 8.117 -2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.223 10.214 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -5.087 9.675 -1.145 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -4.715 6.803 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.974 9.839 -2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.813 5.288 -0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.073 8.327 -1.623 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.514 6.068 -0.810 1.00 0.00 H new ATOM 917 N LEU A 57 -7.494 10.261 -3.084 1.00 0.00 N ATOM 918 CA LEU A 57 -8.306 11.307 -3.684 1.00 0.00 C ATOM 919 C LEU A 57 -7.763 12.673 -3.263 1.00 0.00 C ATOM 920 O LEU A 57 -8.447 13.686 -3.400 1.00 0.00 O ATOM 921 CB LEU A 57 -9.783 11.101 -3.343 1.00 0.00 C ATOM 922 CG LEU A 57 -10.777 11.981 -4.102 1.00 0.00 C ATOM 923 CD1 LEU A 57 -10.937 11.507 -5.548 1.00 0.00 C ATOM 924 CD2 LEU A 57 -12.119 12.051 -3.369 1.00 0.00 C ATOM 0 H LEU A 57 -7.812 9.947 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.244 11.260 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.036 10.057 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.916 11.275 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.377 12.994 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.649 12.150 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.973 11.552 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.303 10.480 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.807 12.683 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -12.538 11.049 -3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.969 12.471 -2.375 1.00 0.00 H new ATOM 936 N ASN A 58 -6.538 12.658 -2.758 1.00 0.00 N ATOM 937 CA ASN A 58 -5.895 13.883 -2.316 1.00 0.00 C ATOM 938 C ASN A 58 -5.914 14.904 -3.455 1.00 0.00 C ATOM 939 O ASN A 58 -5.925 16.111 -3.213 1.00 0.00 O ATOM 940 CB ASN A 58 -4.435 13.631 -1.933 1.00 0.00 C ATOM 941 CG ASN A 58 -4.245 13.713 -0.417 1.00 0.00 C ATOM 942 OD1 ASN A 58 -3.972 12.731 0.254 1.00 0.00 O ATOM 943 ND2 ASN A 58 -4.404 14.934 0.085 1.00 0.00 N ATOM 0 H ASN A 58 -5.974 11.816 -2.645 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.438 14.254 -1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.126 12.648 -2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.795 14.364 -2.424 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.298 15.091 1.087 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.632 15.713 -0.532 1.00 0.00 H new ATOM 950 N ASP A 59 -5.919 14.383 -4.674 1.00 0.00 N ATOM 951 CA ASP A 59 -5.937 15.234 -5.851 1.00 0.00 C ATOM 952 C ASP A 59 -6.865 16.425 -5.601 1.00 0.00 C ATOM 953 O ASP A 59 -6.591 17.535 -6.053 1.00 0.00 O ATOM 954 CB ASP A 59 -6.462 14.476 -7.072 1.00 0.00 C ATOM 955 CG ASP A 59 -7.987 14.393 -7.175 1.00 0.00 C ATOM 956 OD1 ASP A 59 -8.617 13.492 -6.601 1.00 0.00 O ATOM 957 OD2 ASP A 59 -8.535 15.315 -7.891 1.00 0.00 O ATOM 0 H ASP A 59 -5.911 13.382 -4.871 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.916 15.564 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.078 14.956 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.058 13.464 -7.054 1.00 0.00 H new ATOM 963 N LYS A 60 -7.943 16.153 -4.880 1.00 0.00 N ATOM 964 CA LYS A 60 -8.912 17.189 -4.562 1.00 0.00 C ATOM 965 C LYS A 60 -8.174 18.488 -4.233 1.00 0.00 C ATOM 966 O LYS A 60 -8.525 19.551 -4.743 1.00 0.00 O ATOM 967 CB LYS A 60 -9.853 16.718 -3.452 1.00 0.00 C ATOM 968 CG LYS A 60 -11.144 16.142 -4.037 1.00 0.00 C ATOM 969 CD LYS A 60 -12.039 15.573 -2.934 1.00 0.00 C ATOM 970 CE LYS A 60 -12.816 16.685 -2.230 1.00 0.00 C ATOM 971 NZ LYS A 60 -14.115 16.915 -2.901 1.00 0.00 N ATOM 0 H LYS A 60 -8.167 15.230 -4.507 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.548 17.393 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.355 15.962 -2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -10.089 17.552 -2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.680 16.920 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.904 15.359 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -12.736 14.852 -3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.430 15.035 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.982 16.417 -1.187 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.230 17.604 -2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -14.630 17.674 -2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -13.951 17.192 -3.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.678 16.041 -2.875 1.00 0.00 H new ATOM 984 N ASP A 61 -7.165 18.360 -3.385 1.00 0.00 N ATOM 985 CA ASP A 61 -6.377 19.512 -2.981 1.00 0.00 C ATOM 986 C ASP A 61 -4.892 19.206 -3.191 1.00 0.00 C ATOM 987 O ASP A 61 -4.371 18.234 -2.645 1.00 0.00 O ATOM 988 CB ASP A 61 -6.587 19.833 -1.499 1.00 0.00 C ATOM 989 CG ASP A 61 -7.983 19.518 -0.962 1.00 0.00 C ATOM 990 OD1 ASP A 61 -8.464 18.378 -1.060 1.00 0.00 O ATOM 991 OD2 ASP A 61 -8.595 20.513 -0.416 1.00 0.00 O ATOM 0 H ASP A 61 -6.875 17.476 -2.966 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.693 20.364 -3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.855 19.276 -0.915 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.383 20.892 -1.339 1.00 0.00 H new ATOM 997 N GLU A 62 -4.253 20.052 -3.985 1.00 0.00 N ATOM 998 CA GLU A 62 -2.839 19.884 -4.274 1.00 0.00 C ATOM 999 C GLU A 62 -2.007 20.124 -3.014 1.00 0.00 C ATOM 1000 O GLU A 62 -0.880 19.640 -2.908 1.00 0.00 O ATOM 1001 CB GLU A 62 -2.396 20.814 -5.408 1.00 0.00 C ATOM 1002 CG GLU A 62 -1.123 20.294 -6.077 1.00 0.00 C ATOM 1003 CD GLU A 62 0.054 21.237 -5.823 1.00 0.00 C ATOM 1004 OE1 GLU A 62 -0.012 22.082 -4.918 1.00 0.00 O ATOM 1005 OE2 GLU A 62 1.066 21.069 -6.604 1.00 0.00 O ATOM 0 H GLU A 62 -4.688 20.856 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.676 18.858 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.192 20.896 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.221 21.815 -5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.887 19.301 -5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.287 20.192 -7.150 1.00 0.00 H new ATOM 1013 N ASP A 63 -2.592 20.870 -2.089 1.00 0.00 N ATOM 1014 CA ASP A 63 -1.920 21.179 -0.839 1.00 0.00 C ATOM 1015 C ASP A 63 -1.849 19.918 0.023 1.00 0.00 C ATOM 1016 O ASP A 63 -0.820 19.634 0.633 1.00 0.00 O ATOM 1017 CB ASP A 63 -2.681 22.248 -0.053 1.00 0.00 C ATOM 1018 CG ASP A 63 -1.848 23.462 0.364 1.00 0.00 C ATOM 1019 OD1 ASP A 63 -1.309 23.514 1.480 1.00 0.00 O ATOM 1020 OD2 ASP A 63 -1.759 24.393 -0.524 1.00 0.00 O ATOM 0 H ASP A 63 -3.526 21.270 -2.181 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.922 21.549 -1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.520 22.593 -0.657 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.100 21.789 0.843 1.00 0.00 H new ATOM 1026 N ALA A 64 -2.959 19.192 0.047 1.00 0.00 N ATOM 1027 CA ALA A 64 -3.036 17.968 0.824 1.00 0.00 C ATOM 1028 C ALA A 64 -2.373 16.831 0.045 1.00 0.00 C ATOM 1029 O ALA A 64 -2.010 15.806 0.621 1.00 0.00 O ATOM 1030 CB ALA A 64 -4.498 17.668 1.160 1.00 0.00 C ATOM 0 H ALA A 64 -3.812 19.430 -0.460 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.500 18.078 1.767 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.556 16.749 1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.915 18.492 1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.066 17.549 0.238 1.00 0.00 H new ATOM 1036 N VAL A 65 -2.233 17.050 -1.255 1.00 0.00 N ATOM 1037 CA VAL A 65 -1.619 16.057 -2.119 1.00 0.00 C ATOM 1038 C VAL A 65 -0.110 16.029 -1.866 1.00 0.00 C ATOM 1039 O VAL A 65 0.486 14.957 -1.763 1.00 0.00 O ATOM 1040 CB VAL A 65 -1.975 16.343 -3.580 1.00 0.00 C ATOM 1041 CG1 VAL A 65 -0.765 16.889 -4.342 1.00 0.00 C ATOM 1042 CG2 VAL A 65 -2.534 15.093 -4.262 1.00 0.00 C ATOM 0 H VAL A 65 -2.535 17.901 -1.730 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.005 15.063 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.752 17.108 -3.593 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.045 17.084 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.430 17.816 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.042 16.157 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.779 15.323 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.788 14.298 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.434 14.766 -3.741 1.00 0.00 H new ATOM 1052 N LYS A 66 0.464 17.220 -1.772 1.00 0.00 N ATOM 1053 CA LYS A 66 1.891 17.345 -1.532 1.00 0.00 C ATOM 1054 C LYS A 66 2.190 17.016 -0.069 1.00 0.00 C ATOM 1055 O LYS A 66 3.057 16.193 0.222 1.00 0.00 O ATOM 1056 CB LYS A 66 2.389 18.726 -1.966 1.00 0.00 C ATOM 1057 CG LYS A 66 3.871 18.683 -2.341 1.00 0.00 C ATOM 1058 CD LYS A 66 4.163 19.601 -3.528 1.00 0.00 C ATOM 1059 CE LYS A 66 5.382 19.109 -4.314 1.00 0.00 C ATOM 1060 NZ LYS A 66 5.362 19.653 -5.692 1.00 0.00 N ATOM 0 H LYS A 66 -0.034 18.106 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 66 2.443 16.627 -2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.805 19.076 -2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.235 19.442 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.475 18.986 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.158 17.661 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.294 19.640 -4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.340 20.616 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.297 19.417 -3.808 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.386 18.019 -4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.195 19.311 -6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.497 19.339 -6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.380 20.692 -5.655 1.00 0.00 H new ATOM 1073 N ALA A 67 1.455 17.678 0.814 1.00 0.00 N ATOM 1074 CA ALA A 67 1.630 17.466 2.242 1.00 0.00 C ATOM 1075 C ALA A 67 1.305 16.010 2.579 1.00 0.00 C ATOM 1076 O ALA A 67 2.114 15.316 3.195 1.00 0.00 O ATOM 1077 CB ALA A 67 0.755 18.454 3.015 1.00 0.00 C ATOM 0 H ALA A 67 0.738 18.361 0.569 1.00 0.00 H new ATOM 0 HA ALA A 67 2.664 17.649 2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.886 18.296 4.085 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.046 19.473 2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.291 18.298 2.750 1.00 0.00 H new ATOM 1083 N GLY A 68 0.120 15.588 2.164 1.00 0.00 N ATOM 1084 CA GLY A 68 -0.321 14.227 2.415 1.00 0.00 C ATOM 1085 C GLY A 68 0.715 13.215 1.923 1.00 0.00 C ATOM 1086 O GLY A 68 1.250 12.435 2.710 1.00 0.00 O ATOM 0 H GLY A 68 -0.549 16.166 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.492 14.088 3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.273 14.051 1.914 1.00 0.00 H new ATOM 1090 N ILE A 69 0.969 13.260 0.624 1.00 0.00 N ATOM 1091 CA ILE A 69 1.933 12.357 0.016 1.00 0.00 C ATOM 1092 C ILE A 69 3.275 12.493 0.735 1.00 0.00 C ATOM 1093 O ILE A 69 4.059 11.546 0.780 1.00 0.00 O ATOM 1094 CB ILE A 69 2.014 12.597 -1.492 1.00 0.00 C ATOM 1095 CG1 ILE A 69 2.429 11.321 -2.228 1.00 0.00 C ATOM 1096 CG2 ILE A 69 2.944 13.770 -1.810 1.00 0.00 C ATOM 1097 CD1 ILE A 69 2.262 11.481 -3.740 1.00 0.00 C ATOM 0 H ILE A 69 0.524 13.908 -0.026 1.00 0.00 H new ATOM 0 HA ILE A 69 1.613 11.322 0.133 1.00 0.00 H new ATOM 0 HB ILE A 69 1.020 12.867 -1.850 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.468 11.085 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.826 10.483 -1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.984 13.920 -2.889 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.566 14.674 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.945 13.553 -1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.564 10.560 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE A 69 1.218 11.693 -3.970 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.885 12.304 -4.090 1.00 0.00 H new ATOM 1109 N LYS A 70 3.500 13.678 1.282 1.00 0.00 N ATOM 1110 CA LYS A 70 4.737 13.951 1.997 1.00 0.00 C ATOM 1111 C LYS A 70 4.743 13.168 3.311 1.00 0.00 C ATOM 1112 O LYS A 70 5.796 12.732 3.774 1.00 0.00 O ATOM 1113 CB LYS A 70 4.930 15.458 2.178 1.00 0.00 C ATOM 1114 CG LYS A 70 5.687 15.763 3.473 1.00 0.00 C ATOM 1115 CD LYS A 70 7.121 15.234 3.406 1.00 0.00 C ATOM 1116 CE LYS A 70 7.677 14.979 4.809 1.00 0.00 C ATOM 1117 NZ LYS A 70 7.256 16.053 5.736 1.00 0.00 N ATOM 0 H LYS A 70 2.847 14.461 1.245 1.00 0.00 H new ATOM 0 HA LYS A 70 5.596 13.611 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.479 15.863 1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.959 15.953 2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.700 16.839 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.167 15.310 4.318 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.145 14.310 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.754 15.953 2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.325 14.015 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.765 14.928 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.908 16.088 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.271 16.966 5.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.292 15.860 6.076 1.00 0.00 H new ATOM 1130 N ALA A 71 3.555 13.013 3.877 1.00 0.00 N ATOM 1131 CA ALA A 71 3.410 12.291 5.129 1.00 0.00 C ATOM 1132 C ALA A 71 3.569 10.791 4.868 1.00 0.00 C ATOM 1133 O ALA A 71 4.258 10.098 5.615 1.00 0.00 O ATOM 1134 CB ALA A 71 2.060 12.634 5.764 1.00 0.00 C ATOM 0 H ALA A 71 2.683 13.376 3.491 1.00 0.00 H new ATOM 0 HA ALA A 71 4.186 12.587 5.835 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.952 12.092 6.703 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.010 13.706 5.956 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.256 12.349 5.086 1.00 0.00 H new ATOM 1140 N LEU A 72 2.918 10.335 3.808 1.00 0.00 N ATOM 1141 CA LEU A 72 2.978 8.930 3.440 1.00 0.00 C ATOM 1142 C LEU A 72 4.364 8.615 2.872 1.00 0.00 C ATOM 1143 O LEU A 72 4.772 7.456 2.831 1.00 0.00 O ATOM 1144 CB LEU A 72 1.829 8.576 2.494 1.00 0.00 C ATOM 1145 CG LEU A 72 2.068 7.379 1.570 1.00 0.00 C ATOM 1146 CD1 LEU A 72 1.739 6.064 2.279 1.00 0.00 C ATOM 1147 CD2 LEU A 72 1.291 7.535 0.261 1.00 0.00 C ATOM 0 H LEU A 72 2.346 10.913 3.192 1.00 0.00 H new ATOM 0 HA LEU A 72 2.843 8.299 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.940 8.377 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.610 9.448 1.878 1.00 0.00 H new ATOM 0 HG LEU A 72 3.127 7.350 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.918 5.230 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.372 5.957 3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.692 6.067 2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.478 6.672 -0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.225 7.603 0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.616 8.441 -0.249 1.00 0.00 H new ATOM 1159 N GLN A 73 5.048 9.668 2.448 1.00 0.00 N ATOM 1160 CA GLN A 73 6.377 9.519 1.883 1.00 0.00 C ATOM 1161 C GLN A 73 7.406 9.310 2.997 1.00 0.00 C ATOM 1162 O GLN A 73 8.261 8.431 2.902 1.00 0.00 O ATOM 1163 CB GLN A 73 6.745 10.724 1.016 1.00 0.00 C ATOM 1164 CG GLN A 73 6.451 10.448 -0.460 1.00 0.00 C ATOM 1165 CD GLN A 73 7.746 10.366 -1.270 1.00 0.00 C ATOM 1166 OE1 GLN A 73 8.223 9.131 -1.405 1.00 0.00 O flip ATOM 1167 NE2 GLN A 73 8.276 11.358 -1.743 1.00 0.00 N flip ATOM 0 H GLN A 73 4.706 10.628 2.485 1.00 0.00 H new ATOM 0 HA GLN A 73 6.380 8.638 1.241 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.183 11.598 1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.802 10.958 1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.898 9.514 -0.556 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.816 11.237 -0.862 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.856 12.277 -1.601 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.139 11.268 -2.280 1.00 0.00 H new ATOM 1176 N GLU A 74 7.289 10.135 4.027 1.00 0.00 N ATOM 1177 CA GLU A 74 8.198 10.053 5.158 1.00 0.00 C ATOM 1178 C GLU A 74 7.914 8.794 5.978 1.00 0.00 C ATOM 1179 O GLU A 74 8.807 8.260 6.635 1.00 0.00 O ATOM 1180 CB GLU A 74 8.105 11.307 6.028 1.00 0.00 C ATOM 1181 CG GLU A 74 6.837 11.288 6.884 1.00 0.00 C ATOM 1182 CD GLU A 74 7.175 11.086 8.361 1.00 0.00 C ATOM 1183 OE1 GLU A 74 7.997 11.829 8.918 1.00 0.00 O ATOM 1184 OE2 GLU A 74 6.547 10.116 8.937 1.00 0.00 O ATOM 0 H GLU A 74 6.579 10.863 4.102 1.00 0.00 H new ATOM 0 HA GLU A 74 9.217 9.991 4.776 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.982 11.373 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.107 12.194 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.294 12.224 6.756 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.178 10.489 6.546 1.00 0.00 H new ATOM 1192 N ALA A 75 6.664 8.354 5.914 1.00 0.00 N ATOM 1193 CA ALA A 75 6.250 7.167 6.642 1.00 0.00 C ATOM 1194 C ALA A 75 6.451 5.936 5.759 1.00 0.00 C ATOM 1195 O ALA A 75 5.927 4.863 6.053 1.00 0.00 O ATOM 1196 CB ALA A 75 4.798 7.328 7.096 1.00 0.00 C ATOM 0 H ALA A 75 5.926 8.799 5.369 1.00 0.00 H new ATOM 0 HA ALA A 75 6.859 7.033 7.536 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.487 6.438 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.714 8.200 7.745 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.157 7.462 6.225 1.00 0.00 H new ATOM 1202 N SER A 76 7.213 6.130 4.692 1.00 0.00 N ATOM 1203 CA SER A 76 7.491 5.048 3.763 1.00 0.00 C ATOM 1204 C SER A 76 8.105 3.862 4.509 1.00 0.00 C ATOM 1205 O SER A 76 7.435 2.860 4.749 1.00 0.00 O ATOM 1206 CB SER A 76 8.422 5.510 2.641 1.00 0.00 C ATOM 1207 OG SER A 76 9.297 4.471 2.212 1.00 0.00 O ATOM 0 H SER A 76 7.647 7.021 4.450 1.00 0.00 H new ATOM 0 HA SER A 76 6.550 4.736 3.311 1.00 0.00 H new ATOM 0 HB2 SER A 76 7.827 5.855 1.795 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.010 6.361 2.985 1.00 0.00 H new ATOM 0 HG SER A 76 9.874 4.805 1.494 1.00 0.00 H new ATOM 1213 N GLY A 77 9.375 4.016 4.856 1.00 0.00 N ATOM 1214 CA GLY A 77 10.088 2.970 5.569 1.00 0.00 C ATOM 1215 C GLY A 77 9.308 2.522 6.807 1.00 0.00 C ATOM 1216 O GLY A 77 9.560 1.445 7.346 1.00 0.00 O ATOM 0 H GLY A 77 9.928 4.849 4.656 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.249 2.118 4.908 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.072 3.333 5.866 1.00 0.00 H new ATOM 1220 N PHE A 78 8.377 3.369 7.220 1.00 0.00 N ATOM 1221 CA PHE A 78 7.558 3.073 8.383 1.00 0.00 C ATOM 1222 C PHE A 78 6.485 2.036 8.048 1.00 0.00 C ATOM 1223 O PHE A 78 6.237 1.119 8.830 1.00 0.00 O ATOM 1224 CB PHE A 78 6.878 4.380 8.795 1.00 0.00 C ATOM 1225 CG PHE A 78 7.374 4.947 10.127 1.00 0.00 C ATOM 1226 CD1 PHE A 78 7.288 4.199 11.259 1.00 0.00 C ATOM 1227 CD2 PHE A 78 7.902 6.199 10.177 1.00 0.00 C ATOM 1228 CE1 PHE A 78 7.748 4.725 12.495 1.00 0.00 C ATOM 1229 CE2 PHE A 78 8.363 6.725 11.414 1.00 0.00 C ATOM 1230 CZ PHE A 78 8.276 5.977 12.546 1.00 0.00 C ATOM 0 H PHE A 78 8.171 4.261 6.770 1.00 0.00 H new ATOM 0 HA PHE A 78 8.179 2.668 9.182 1.00 0.00 H new ATOM 0 HB2 PHE A 78 7.038 5.123 8.014 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.803 4.213 8.861 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.870 3.204 11.218 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.971 6.793 9.278 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.679 4.131 13.394 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.783 7.719 11.455 1.00 0.00 H new ATOM 0 HZ PHE A 78 8.626 6.377 13.486 1.00 0.00 H new ATOM 1240 N ILE A 79 5.876 2.215 6.886 1.00 0.00 N ATOM 1241 CA ILE A 79 4.834 1.306 6.437 1.00 0.00 C ATOM 1242 C ILE A 79 5.463 -0.036 6.058 1.00 0.00 C ATOM 1243 O ILE A 79 4.898 -1.091 6.338 1.00 0.00 O ATOM 1244 CB ILE A 79 4.016 1.942 5.313 1.00 0.00 C ATOM 1245 CG1 ILE A 79 4.927 2.467 4.201 1.00 0.00 C ATOM 1246 CG2 ILE A 79 3.089 3.031 5.857 1.00 0.00 C ATOM 1247 CD1 ILE A 79 4.145 2.673 2.902 1.00 0.00 C ATOM 0 H ILE A 79 6.084 2.977 6.240 1.00 0.00 H new ATOM 0 HA ILE A 79 4.126 1.110 7.242 1.00 0.00 H new ATOM 0 HB ILE A 79 3.383 1.171 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.379 3.409 4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.742 1.763 4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.519 3.467 5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.404 2.596 6.584 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.683 3.808 6.338 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.816 3.046 2.129 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.715 1.724 2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.346 3.396 3.069 1.00 0.00 H new ATOM 1259 N ARG A 80 6.625 0.049 5.428 1.00 0.00 N ATOM 1260 CA ARG A 80 7.337 -1.147 5.008 1.00 0.00 C ATOM 1261 C ARG A 80 7.803 -1.944 6.227 1.00 0.00 C ATOM 1262 O ARG A 80 7.633 -3.160 6.279 1.00 0.00 O ATOM 1263 CB ARG A 80 8.550 -0.790 4.146 1.00 0.00 C ATOM 1264 CG ARG A 80 9.549 -1.948 4.099 1.00 0.00 C ATOM 1265 CD ARG A 80 10.638 -1.693 3.055 1.00 0.00 C ATOM 1266 NE ARG A 80 11.876 -1.226 3.718 1.00 0.00 N ATOM 1267 CZ ARG A 80 12.915 -0.659 3.069 1.00 0.00 C ATOM 1268 NH1 ARG A 80 12.873 -0.482 1.731 1.00 0.00 N ATOM 1269 NH2 ARG A 80 13.972 -0.280 3.762 1.00 0.00 N ATOM 0 H ARG A 80 7.091 0.926 5.198 1.00 0.00 H new ATOM 0 HA ARG A 80 6.650 -1.752 4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.223 -0.546 3.135 1.00 0.00 H new ATOM 0 HB3 ARG A 80 9.037 0.099 4.547 1.00 0.00 H new ATOM 0 HG2 ARG A 80 10.005 -2.079 5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.026 -2.875 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 80 10.838 -2.607 2.495 1.00 0.00 H new ATOM 0 HD3 ARG A 80 10.297 -0.948 2.337 1.00 0.00 H new ATOM 0 HE ARG A 80 11.949 -1.340 4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 80 12.052 -0.778 1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 80 13.662 -0.053 1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.995 -0.417 4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 80 14.766 0.150 3.287 1.00 0.00 H new ATOM 1282 N SER A 81 8.381 -1.225 7.179 1.00 0.00 N ATOM 1283 CA SER A 81 8.872 -1.852 8.395 1.00 0.00 C ATOM 1284 C SER A 81 7.698 -2.235 9.297 1.00 0.00 C ATOM 1285 O SER A 81 7.756 -3.238 10.005 1.00 0.00 O ATOM 1286 CB SER A 81 9.834 -0.925 9.141 1.00 0.00 C ATOM 1287 OG SER A 81 10.222 -1.462 10.403 1.00 0.00 O ATOM 0 H SER A 81 8.520 -0.216 7.133 1.00 0.00 H new ATOM 0 HA SER A 81 9.419 -2.754 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.721 -0.756 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 81 9.360 0.045 9.290 1.00 0.00 H new ATOM 0 HG SER A 81 10.837 -0.842 10.847 1.00 0.00 H new ATOM 1293 N LEU A 82 6.658 -1.415 9.242 1.00 0.00 N ATOM 1294 CA LEU A 82 5.472 -1.656 10.045 1.00 0.00 C ATOM 1295 C LEU A 82 4.797 -2.948 9.577 1.00 0.00 C ATOM 1296 O LEU A 82 4.219 -3.677 10.382 1.00 0.00 O ATOM 1297 CB LEU A 82 4.548 -0.436 10.017 1.00 0.00 C ATOM 1298 CG LEU A 82 3.193 -0.605 10.706 1.00 0.00 C ATOM 1299 CD1 LEU A 82 3.096 0.277 11.951 1.00 0.00 C ATOM 1300 CD2 LEU A 82 2.045 -0.343 9.727 1.00 0.00 C ATOM 0 H LEU A 82 6.613 -0.583 8.654 1.00 0.00 H new ATOM 0 HA LEU A 82 5.744 -1.798 11.091 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.069 0.400 10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.373 -0.162 8.977 1.00 0.00 H new ATOM 0 HG LEU A 82 3.105 -1.640 11.038 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.123 0.137 12.421 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.882 0.001 12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.214 1.322 11.666 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.092 -0.470 10.241 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.118 0.675 9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.106 -1.048 8.898 1.00 0.00 H new ATOM 1312 N LEU A 83 4.894 -3.191 8.278 1.00 0.00 N ATOM 1313 CA LEU A 83 4.301 -4.381 7.692 1.00 0.00 C ATOM 1314 C LEU A 83 5.111 -5.609 8.114 1.00 0.00 C ATOM 1315 O LEU A 83 4.569 -6.544 8.700 1.00 0.00 O ATOM 1316 CB LEU A 83 4.167 -4.224 6.177 1.00 0.00 C ATOM 1317 CG LEU A 83 3.202 -3.135 5.700 1.00 0.00 C ATOM 1318 CD1 LEU A 83 3.738 -2.440 4.445 1.00 0.00 C ATOM 1319 CD2 LEU A 83 1.798 -3.704 5.485 1.00 0.00 C ATOM 0 H LEU A 83 5.375 -2.583 7.615 1.00 0.00 H new ATOM 0 HA LEU A 83 3.286 -4.523 8.064 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.154 -4.014 5.764 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.843 -5.177 5.760 1.00 0.00 H new ATOM 0 HG LEU A 83 3.127 -2.378 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.034 -1.671 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.701 -1.981 4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.860 -3.173 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.132 -2.911 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.836 -4.492 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.425 -4.116 6.423 1.00 0.00 H new ATOM 1331 N GLY A 84 6.398 -5.566 7.798 1.00 0.00 N ATOM 1332 CA GLY A 84 7.289 -6.663 8.135 1.00 0.00 C ATOM 1333 C GLY A 84 7.096 -7.098 9.590 1.00 0.00 C ATOM 1334 O GLY A 84 6.996 -8.291 9.877 1.00 0.00 O ATOM 0 H GLY A 84 6.844 -4.788 7.312 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.100 -7.507 7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.323 -6.358 7.977 1.00 0.00 H new ATOM 1338 N LYS A 85 7.048 -6.107 10.469 1.00 0.00 N ATOM 1339 CA LYS A 85 6.868 -6.373 11.886 1.00 0.00 C ATOM 1340 C LYS A 85 5.415 -6.775 12.145 1.00 0.00 C ATOM 1341 O LYS A 85 5.150 -7.692 12.921 1.00 0.00 O ATOM 1342 CB LYS A 85 7.334 -5.176 12.719 1.00 0.00 C ATOM 1343 CG LYS A 85 8.702 -5.445 13.348 1.00 0.00 C ATOM 1344 CD LYS A 85 8.887 -4.626 14.628 1.00 0.00 C ATOM 1345 CE LYS A 85 9.350 -3.204 14.306 1.00 0.00 C ATOM 1346 NZ LYS A 85 9.231 -2.338 15.500 1.00 0.00 N ATOM 0 H LYS A 85 7.131 -5.120 10.227 1.00 0.00 H new ATOM 0 HA LYS A 85 7.491 -7.211 12.199 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.388 -4.289 12.088 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.605 -4.967 13.502 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.800 -6.507 13.574 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.489 -5.197 12.636 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.948 -4.590 15.180 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.618 -5.113 15.273 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.385 -3.221 13.963 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.751 -2.796 13.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.549 -1.376 15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.239 -2.308 15.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.821 -2.720 16.266 1.00 0.00 H new ATOM 1359 N ALA A 86 4.512 -6.067 11.482 1.00 0.00 N ATOM 1360 CA ALA A 86 3.093 -6.339 11.632 1.00 0.00 C ATOM 1361 C ALA A 86 2.805 -7.778 11.199 1.00 0.00 C ATOM 1362 O ALA A 86 1.886 -8.412 11.715 1.00 0.00 O ATOM 1363 CB ALA A 86 2.289 -5.317 10.825 1.00 0.00 C ATOM 0 H ALA A 86 4.736 -5.306 10.840 1.00 0.00 H new ATOM 0 HA ALA A 86 2.792 -6.241 12.675 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.224 -5.521 10.937 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.507 -4.313 11.190 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.563 -5.388 9.772 1.00 0.00 H new ATOM 1369 N MET A 87 3.608 -8.251 10.257 1.00 0.00 N ATOM 1370 CA MET A 87 3.449 -9.604 9.749 1.00 0.00 C ATOM 1371 C MET A 87 4.638 -10.481 10.150 1.00 0.00 C ATOM 1372 O MET A 87 4.802 -11.585 9.632 1.00 0.00 O ATOM 1373 CB MET A 87 3.333 -9.566 8.225 1.00 0.00 C ATOM 1374 CG MET A 87 2.125 -10.374 7.747 1.00 0.00 C ATOM 1375 SD MET A 87 2.251 -10.683 5.994 1.00 0.00 S ATOM 1376 CE MET A 87 1.815 -9.071 5.363 1.00 0.00 C ATOM 0 H MET A 87 4.370 -7.722 9.832 1.00 0.00 H new ATOM 0 HA MET A 87 2.544 -10.032 10.180 1.00 0.00 H new ATOM 0 HB2 MET A 87 3.240 -8.533 7.889 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.243 -9.966 7.777 1.00 0.00 H new ATOM 0 HG2 MET A 87 2.072 -11.319 8.288 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.205 -9.831 7.964 1.00 0.00 H new ATOM 0 HE1 MET A 87 2.464 -8.821 4.524 1.00 0.00 H new ATOM 0 HE2 MET A 87 0.777 -9.079 5.029 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.937 -8.327 6.150 1.00 0.00 H new ATOM 1386 N ARG A 88 5.437 -9.957 11.069 1.00 0.00 N ATOM 1387 CA ARG A 88 6.604 -10.679 11.544 1.00 0.00 C ATOM 1388 C ARG A 88 7.046 -11.716 10.509 1.00 0.00 C ATOM 1389 O ARG A 88 6.801 -12.909 10.677 1.00 0.00 O ATOM 1390 CB ARG A 88 6.314 -11.383 12.870 1.00 0.00 C ATOM 1391 CG ARG A 88 6.558 -10.446 14.055 1.00 0.00 C ATOM 1392 CD ARG A 88 6.544 -11.217 15.376 1.00 0.00 C ATOM 1393 NE ARG A 88 5.920 -10.394 16.436 1.00 0.00 N ATOM 1394 CZ ARG A 88 4.592 -10.351 16.677 1.00 0.00 C ATOM 1395 NH1 ARG A 88 3.736 -11.084 15.933 1.00 0.00 N ATOM 1396 NH2 ARG A 88 4.144 -9.580 17.650 1.00 0.00 N ATOM 0 H ARG A 88 5.298 -9.041 11.497 1.00 0.00 H new ATOM 0 HA ARG A 88 7.402 -9.953 11.698 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.281 -11.730 12.883 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.947 -12.265 12.963 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.517 -9.943 13.934 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.792 -9.671 14.074 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.993 -12.150 15.256 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.562 -11.483 15.662 1.00 0.00 H new ATOM 0 HE ARG A 88 6.531 -9.824 17.021 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.091 -11.676 15.182 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.734 -11.046 16.122 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.798 -9.029 18.206 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.144 -9.535 17.846 1.00 0.00 H new ATOM 1409 N LEU A 89 7.687 -11.222 9.461 1.00 0.00 N ATOM 1410 CA LEU A 89 8.164 -12.091 8.398 1.00 0.00 C ATOM 1411 C LEU A 89 9.694 -12.062 8.370 1.00 0.00 C ATOM 1412 O LEU A 89 10.334 -11.839 9.396 1.00 0.00 O ATOM 1413 CB LEU A 89 7.518 -11.714 7.065 1.00 0.00 C ATOM 1414 CG LEU A 89 7.066 -12.879 6.184 1.00 0.00 C ATOM 1415 CD1 LEU A 89 6.016 -13.731 6.898 1.00 0.00 C ATOM 1416 CD2 LEU A 89 6.571 -12.380 4.825 1.00 0.00 C ATOM 0 H LEU A 89 7.888 -10.231 9.325 1.00 0.00 H new ATOM 0 HA LEU A 89 7.867 -13.122 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.653 -11.082 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.227 -11.110 6.499 1.00 0.00 H new ATOM 0 HG LEU A 89 7.928 -13.519 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.712 -14.553 6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.439 -14.133 7.819 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.148 -13.116 7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.256 -13.229 4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.728 -11.705 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.376 -11.850 4.317 1.00 0.00 H new ATOM 1428 N ARG A 90 10.237 -12.289 7.183 1.00 0.00 N ATOM 1429 CA ARG A 90 11.679 -12.292 7.007 1.00 0.00 C ATOM 1430 C ARG A 90 12.042 -11.835 5.593 1.00 0.00 C ATOM 1431 O ARG A 90 12.967 -11.043 5.412 1.00 0.00 O ATOM 1432 CB ARG A 90 12.261 -13.687 7.249 1.00 0.00 C ATOM 1433 CG ARG A 90 13.706 -13.772 6.752 1.00 0.00 C ATOM 1434 CD ARG A 90 14.617 -14.385 7.816 1.00 0.00 C ATOM 1435 NE ARG A 90 15.130 -15.693 7.351 1.00 0.00 N ATOM 1436 CZ ARG A 90 15.796 -16.567 8.136 1.00 0.00 C ATOM 1437 NH1 ARG A 90 16.037 -16.278 9.433 1.00 0.00 N ATOM 1438 NH2 ARG A 90 16.209 -17.708 7.616 1.00 0.00 N ATOM 0 H ARG A 90 9.704 -12.472 6.333 1.00 0.00 H new ATOM 0 HA ARG A 90 12.103 -11.602 7.736 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.224 -13.921 8.313 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.652 -14.433 6.738 1.00 0.00 H new ATOM 0 HG2 ARG A 90 13.747 -14.373 5.843 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.064 -12.776 6.492 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.449 -13.713 8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.067 -14.512 8.748 1.00 0.00 H new ATOM 0 HE ARG A 90 14.971 -15.950 6.377 1.00 0.00 H new ATOM 0 HH11 ARG A 90 15.715 -15.394 9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.541 -16.944 10.019 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.024 -17.918 6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.713 -18.379 8.195 1.00 0.00 H new ATOM 1451 N ILE A 91 11.295 -12.350 4.628 1.00 0.00 N ATOM 1452 CA ILE A 91 11.528 -12.004 3.235 1.00 0.00 C ATOM 1453 C ILE A 91 11.857 -10.513 3.133 1.00 0.00 C ATOM 1454 O ILE A 91 12.585 -10.095 2.235 1.00 0.00 O ATOM 1455 CB ILE A 91 10.339 -12.431 2.371 1.00 0.00 C ATOM 1456 CG1 ILE A 91 9.014 -12.125 3.073 1.00 0.00 C ATOM 1457 CG2 ILE A 91 10.450 -13.905 1.977 1.00 0.00 C ATOM 1458 CD1 ILE A 91 8.005 -11.517 2.095 1.00 0.00 C ATOM 0 H ILE A 91 10.528 -13.004 4.782 1.00 0.00 H new ATOM 0 HA ILE A 91 12.388 -12.549 2.846 1.00 0.00 H new ATOM 0 HB ILE A 91 10.359 -11.848 1.450 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.605 -13.040 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.186 -11.435 3.899 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.593 -14.183 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.368 -14.062 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 91 10.468 -14.521 2.876 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.072 -11.309 2.618 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.407 -10.590 1.687 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.817 -12.219 1.283 1.00 0.00 H new ATOM 1470 N VAL A 92 11.305 -9.752 4.067 1.00 0.00 N ATOM 1471 CA VAL A 92 11.532 -8.318 4.093 1.00 0.00 C ATOM 1472 C VAL A 92 11.869 -7.833 2.682 1.00 0.00 C ATOM 1473 O VAL A 92 12.941 -7.275 2.453 1.00 0.00 O ATOM 1474 CB VAL A 92 12.617 -7.978 5.117 1.00 0.00 C ATOM 1475 CG1 VAL A 92 12.875 -6.471 5.162 1.00 0.00 C ATOM 1476 CG2 VAL A 92 12.250 -8.512 6.503 1.00 0.00 C ATOM 0 H VAL A 92 10.701 -10.102 4.811 1.00 0.00 H new ATOM 0 HA VAL A 92 10.630 -7.795 4.409 1.00 0.00 H new ATOM 0 HB VAL A 92 13.539 -8.467 4.803 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.650 -6.256 5.898 1.00 0.00 H new ATOM 0 HG12 VAL A 92 13.202 -6.128 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 92 11.957 -5.953 5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 92 13.038 -8.257 7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 92 11.311 -8.065 6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 92 12.140 -9.595 6.458 1.00 0.00 H new ATOM 1486 N PRO A 93 10.909 -8.071 1.749 1.00 0.00 N ATOM 1487 CA PRO A 93 11.093 -7.664 0.365 1.00 0.00 C ATOM 1488 C PRO A 93 10.919 -6.153 0.210 1.00 0.00 C ATOM 1489 O PRO A 93 10.430 -5.483 1.119 1.00 0.00 O ATOM 1490 CB PRO A 93 10.066 -8.464 -0.418 1.00 0.00 C ATOM 1491 CG PRO A 93 9.040 -8.936 0.597 1.00 0.00 C ATOM 1492 CD PRO A 93 9.627 -8.729 1.984 1.00 0.00 C ATOM 0 HA PRO A 93 12.099 -7.864 -0.003 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.599 -7.851 -1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 93 10.533 -9.310 -0.923 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.111 -8.377 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.800 -9.987 0.437 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.974 -8.114 2.603 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.758 -9.678 2.504 1.00 0.00 H new ATOM 1500 N GLU A 94 11.329 -5.658 -0.949 1.00 0.00 N ATOM 1501 CA GLU A 94 11.225 -4.238 -1.235 1.00 0.00 C ATOM 1502 C GLU A 94 9.757 -3.828 -1.362 1.00 0.00 C ATOM 1503 O GLU A 94 9.321 -3.387 -2.425 1.00 0.00 O ATOM 1504 CB GLU A 94 12.007 -3.874 -2.498 1.00 0.00 C ATOM 1505 CG GLU A 94 12.504 -2.427 -2.440 1.00 0.00 C ATOM 1506 CD GLU A 94 13.429 -2.117 -3.618 1.00 0.00 C ATOM 1507 OE1 GLU A 94 14.221 -2.977 -4.028 1.00 0.00 O ATOM 1508 OE2 GLU A 94 13.300 -0.933 -4.114 1.00 0.00 O ATOM 0 H GLU A 94 11.734 -6.216 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 94 11.665 -3.687 -0.404 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.855 -4.549 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.373 -4.009 -3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.653 -1.746 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.034 -2.258 -1.503 1.00 0.00 H new ATOM 1516 N LEU A 95 9.034 -3.988 -0.263 1.00 0.00 N ATOM 1517 CA LEU A 95 7.622 -3.641 -0.238 1.00 0.00 C ATOM 1518 C LEU A 95 7.471 -2.129 -0.416 1.00 0.00 C ATOM 1519 O LEU A 95 7.404 -1.388 0.563 1.00 0.00 O ATOM 1520 CB LEU A 95 6.961 -4.179 1.032 1.00 0.00 C ATOM 1521 CG LEU A 95 5.529 -4.696 0.874 1.00 0.00 C ATOM 1522 CD1 LEU A 95 5.499 -6.223 0.821 1.00 0.00 C ATOM 1523 CD2 LEU A 95 4.622 -4.142 1.975 1.00 0.00 C ATOM 0 H LEU A 95 9.399 -4.353 0.617 1.00 0.00 H new ATOM 0 HA LEU A 95 7.098 -4.115 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 95 7.577 -4.988 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.960 -3.387 1.781 1.00 0.00 H new ATOM 0 HG LEU A 95 5.139 -4.335 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.470 -6.563 0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.090 -6.569 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 95 5.916 -6.627 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.610 -4.525 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.000 -4.453 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.608 -3.053 1.922 1.00 0.00 H new ATOM 1535 N THR A 96 7.422 -1.715 -1.674 1.00 0.00 N ATOM 1536 CA THR A 96 7.280 -0.305 -1.993 1.00 0.00 C ATOM 1537 C THR A 96 5.801 0.077 -2.077 1.00 0.00 C ATOM 1538 O THR A 96 4.931 -0.795 -2.098 1.00 0.00 O ATOM 1539 CB THR A 96 8.051 -0.033 -3.286 1.00 0.00 C ATOM 1540 OG1 THR A 96 8.538 1.297 -3.126 1.00 0.00 O ATOM 1541 CG2 THR A 96 7.134 0.050 -4.508 1.00 0.00 C ATOM 0 H THR A 96 7.478 -2.332 -2.484 1.00 0.00 H new ATOM 0 HA THR A 96 7.701 0.322 -1.207 1.00 0.00 H new ATOM 0 HB THR A 96 8.790 -0.819 -3.440 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.052 1.555 -3.920 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.731 0.244 -5.399 1.00 0.00 H new ATOM 0 HG22 THR A 96 6.601 -0.893 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.416 0.858 -4.370 1.00 0.00 H new ATOM 1549 N PHE A 97 5.559 1.379 -2.121 1.00 0.00 N ATOM 1550 CA PHE A 97 4.201 1.886 -2.202 1.00 0.00 C ATOM 1551 C PHE A 97 4.070 2.930 -3.313 1.00 0.00 C ATOM 1552 O PHE A 97 4.648 4.011 -3.224 1.00 0.00 O ATOM 1553 CB PHE A 97 3.889 2.548 -0.857 1.00 0.00 C ATOM 1554 CG PHE A 97 4.650 3.852 -0.615 1.00 0.00 C ATOM 1555 CD1 PHE A 97 5.992 3.827 -0.395 1.00 0.00 C ATOM 1556 CD2 PHE A 97 3.984 5.038 -0.621 1.00 0.00 C ATOM 1557 CE1 PHE A 97 6.697 5.039 -0.170 1.00 0.00 C ATOM 1558 CE2 PHE A 97 4.690 6.250 -0.398 1.00 0.00 C ATOM 1559 CZ PHE A 97 6.032 6.225 -0.176 1.00 0.00 C ATOM 0 H PHE A 97 6.282 2.098 -2.102 1.00 0.00 H new ATOM 0 HA PHE A 97 3.513 1.070 -2.424 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.819 2.748 -0.802 1.00 0.00 H new ATOM 0 HB3 PHE A 97 4.124 1.848 -0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 97 6.521 2.886 -0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.918 5.058 -0.795 1.00 0.00 H new ATOM 0 HE1 PHE A 97 7.762 5.019 0.006 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.161 7.192 -0.405 1.00 0.00 H new ATOM 0 HZ PHE A 97 6.569 7.146 -0.005 1.00 0.00 H new ATOM 1569 N PHE A 98 3.305 2.568 -4.333 1.00 0.00 N ATOM 1570 CA PHE A 98 3.092 3.460 -5.460 1.00 0.00 C ATOM 1571 C PHE A 98 1.858 4.338 -5.238 1.00 0.00 C ATOM 1572 O PHE A 98 0.735 3.837 -5.196 1.00 0.00 O ATOM 1573 CB PHE A 98 2.862 2.580 -6.689 1.00 0.00 C ATOM 1574 CG PHE A 98 3.943 2.717 -7.764 1.00 0.00 C ATOM 1575 CD1 PHE A 98 5.171 2.166 -7.569 1.00 0.00 C ATOM 1576 CD2 PHE A 98 3.675 3.391 -8.916 1.00 0.00 C ATOM 1577 CE1 PHE A 98 6.173 2.295 -8.565 1.00 0.00 C ATOM 1578 CE2 PHE A 98 4.677 3.518 -9.913 1.00 0.00 C ATOM 1579 CZ PHE A 98 5.906 2.967 -9.717 1.00 0.00 C ATOM 0 H PHE A 98 2.826 1.670 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 98 3.954 4.115 -5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 98 2.809 1.538 -6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.895 2.830 -7.126 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.383 1.630 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 98 2.700 3.829 -9.071 1.00 0.00 H new ATOM 0 HE1 PHE A 98 7.149 1.859 -8.408 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.464 4.052 -10.827 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.669 3.063 -10.476 1.00 0.00 H new ATOM 1589 N TYR A 99 2.109 5.631 -5.102 1.00 0.00 N ATOM 1590 CA TYR A 99 1.032 6.584 -4.885 1.00 0.00 C ATOM 1591 C TYR A 99 0.563 7.191 -6.209 1.00 0.00 C ATOM 1592 O TYR A 99 1.193 8.109 -6.732 1.00 0.00 O ATOM 1593 CB TYR A 99 1.619 7.690 -4.007 1.00 0.00 C ATOM 1594 CG TYR A 99 3.146 7.663 -3.910 1.00 0.00 C ATOM 1595 CD1 TYR A 99 3.771 6.694 -3.152 1.00 0.00 C ATOM 1596 CD2 TYR A 99 3.897 8.610 -4.576 1.00 0.00 C ATOM 1597 CE1 TYR A 99 5.208 6.668 -3.060 1.00 0.00 C ATOM 1598 CE2 TYR A 99 5.334 8.583 -4.483 1.00 0.00 C ATOM 1599 CZ TYR A 99 5.918 7.615 -3.729 1.00 0.00 C ATOM 1600 OH TYR A 99 7.276 7.589 -3.642 1.00 0.00 O ATOM 0 H TYR A 99 3.042 6.042 -5.138 1.00 0.00 H new ATOM 0 HA TYR A 99 0.174 6.096 -4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.307 8.657 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 99 1.200 7.605 -3.004 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.183 5.955 -2.628 1.00 0.00 H new ATOM 0 HD2 TYR A 99 3.408 9.371 -5.166 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.710 5.913 -2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.934 9.316 -5.001 1.00 0.00 H new ATOM 0 HH TYR A 99 7.565 8.123 -2.873 1.00 0.00 H new ATOM 1610 N ASP A 100 -0.539 6.656 -6.711 1.00 0.00 N ATOM 1611 CA ASP A 100 -1.100 7.136 -7.964 1.00 0.00 C ATOM 1612 C ASP A 100 -2.430 7.837 -7.687 1.00 0.00 C ATOM 1613 O ASP A 100 -3.489 7.213 -7.750 1.00 0.00 O ATOM 1614 CB ASP A 100 -1.366 5.976 -8.926 1.00 0.00 C ATOM 1615 CG ASP A 100 -1.011 6.254 -10.389 1.00 0.00 C ATOM 1616 OD1 ASP A 100 0.096 5.939 -10.848 1.00 0.00 O ATOM 1617 OD2 ASP A 100 -1.939 6.830 -11.076 1.00 0.00 O ATOM 0 H ASP A 100 -1.059 5.895 -6.274 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.383 7.822 -8.415 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.800 5.107 -8.589 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.422 5.711 -8.868 1.00 0.00 H new ATOM 1623 N ASN A 101 -2.333 9.123 -7.386 1.00 0.00 N ATOM 1624 CA ASN A 101 -3.517 9.916 -7.099 1.00 0.00 C ATOM 1625 C ASN A 101 -4.062 10.501 -8.403 1.00 0.00 C ATOM 1626 O ASN A 101 -3.606 10.141 -9.488 1.00 0.00 O ATOM 1627 CB ASN A 101 -3.186 11.078 -6.160 1.00 0.00 C ATOM 1628 CG ASN A 101 -1.905 10.800 -5.372 1.00 0.00 C ATOM 1629 OD1 ASN A 101 -0.959 11.720 -5.536 1.00 0.00 O flip ATOM 1630 ND2 ASN A 101 -1.785 9.816 -4.662 1.00 0.00 N flip ATOM 0 H ASN A 101 -1.453 9.636 -7.334 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.252 9.266 -6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.070 11.995 -6.738 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.014 11.239 -5.470 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -2.552 9.149 -4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -0.917 9.660 -4.149 1.00 0.00 H new ATOM 1637 N SER A 102 -5.030 11.394 -8.256 1.00 0.00 N ATOM 1638 CA SER A 102 -5.641 12.033 -9.408 1.00 0.00 C ATOM 1639 C SER A 102 -4.866 13.298 -9.778 1.00 0.00 C ATOM 1640 O SER A 102 -5.341 14.112 -10.569 1.00 0.00 O ATOM 1641 CB SER A 102 -7.109 12.370 -9.137 1.00 0.00 C ATOM 1642 OG SER A 102 -7.447 13.679 -9.585 1.00 0.00 O ATOM 0 H SER A 102 -5.406 11.690 -7.355 1.00 0.00 H new ATOM 0 HA SER A 102 -5.605 11.335 -10.245 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.747 11.640 -9.636 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.308 12.290 -8.068 1.00 0.00 H new ATOM 0 HG SER A 102 -8.395 13.705 -9.832 1.00 0.00 H new ATOM 1648 N LEU A 103 -3.685 13.424 -9.189 1.00 0.00 N ATOM 1649 CA LEU A 103 -2.839 14.577 -9.448 1.00 0.00 C ATOM 1650 C LEU A 103 -1.864 14.245 -10.580 1.00 0.00 C ATOM 1651 O LEU A 103 -1.026 15.069 -10.944 1.00 0.00 O ATOM 1652 CB LEU A 103 -2.153 15.037 -8.160 1.00 0.00 C ATOM 1653 CG LEU A 103 -1.718 16.503 -8.119 1.00 0.00 C ATOM 1654 CD1 LEU A 103 -2.716 17.348 -7.325 1.00 0.00 C ATOM 1655 CD2 LEU A 103 -0.293 16.637 -7.577 1.00 0.00 C ATOM 0 H LEU A 103 -3.294 12.747 -8.534 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.439 15.423 -9.782 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.831 14.856 -7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.274 14.413 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.711 16.887 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.384 18.386 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.698 17.288 -7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.778 16.973 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -0.008 17.689 -7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.248 16.231 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.394 16.087 -8.220 1.00 0.00 H new ATOM 1667 N VAL A 104 -2.007 13.037 -11.104 1.00 0.00 N ATOM 1668 CA VAL A 104 -1.149 12.586 -12.187 1.00 0.00 C ATOM 1669 C VAL A 104 -2.006 11.930 -13.272 1.00 0.00 C ATOM 1670 O VAL A 104 -1.483 11.453 -14.278 1.00 0.00 O ATOM 1671 CB VAL A 104 -0.061 11.658 -11.643 1.00 0.00 C ATOM 1672 CG1 VAL A 104 0.367 10.636 -12.698 1.00 0.00 C ATOM 1673 CG2 VAL A 104 1.139 12.459 -11.136 1.00 0.00 C ATOM 0 H VAL A 104 -2.703 12.357 -10.799 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.636 13.432 -12.644 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.479 11.111 -10.798 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.141 9.989 -12.285 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.493 10.033 -12.990 1.00 0.00 H new ATOM 0 HG13 VAL A 104 0.758 11.157 -13.572 1.00 0.00 H new ATOM 0 HG21 VAL A 104 1.898 11.776 -10.755 1.00 0.00 H new ATOM 0 HG22 VAL A 104 1.557 13.045 -11.954 1.00 0.00 H new ATOM 0 HG23 VAL A 104 0.819 13.128 -10.337 1.00 0.00 H new ATOM 1683 N GLU A 105 -3.309 11.928 -13.031 1.00 0.00 N ATOM 1684 CA GLU A 105 -4.244 11.339 -13.974 1.00 0.00 C ATOM 1685 C GLU A 105 -5.560 12.120 -13.976 1.00 0.00 C ATOM 1686 O GLU A 105 -6.184 12.291 -15.023 1.00 0.00 O ATOM 1687 CB GLU A 105 -4.482 9.861 -13.659 1.00 0.00 C ATOM 1688 CG GLU A 105 -3.251 9.233 -13.004 1.00 0.00 C ATOM 1689 CD GLU A 105 -3.279 7.710 -13.132 1.00 0.00 C ATOM 1690 OE1 GLU A 105 -4.328 7.088 -12.907 1.00 0.00 O ATOM 1691 OE2 GLU A 105 -2.159 7.171 -13.478 1.00 0.00 O ATOM 0 H GLU A 105 -3.739 12.325 -12.196 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.809 11.398 -14.972 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.341 9.761 -12.996 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -4.723 9.325 -14.577 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -2.347 9.624 -13.471 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.213 9.512 -11.951 1.00 0.00 H new ATOM 1699 N GLY A 106 -5.943 12.574 -12.791 1.00 0.00 N ATOM 1700 CA GLY A 106 -7.173 13.333 -12.643 1.00 0.00 C ATOM 1701 C GLY A 106 -8.346 12.413 -12.300 1.00 0.00 C ATOM 1702 O GLY A 106 -9.250 12.802 -11.560 1.00 0.00 O ATOM 0 H GLY A 106 -5.423 12.431 -11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.051 14.081 -11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -7.386 13.871 -13.567 1.00 0.00 H new ATOM 1706 N MET A 107 -8.295 11.210 -12.852 1.00 0.00 N ATOM 1707 CA MET A 107 -9.342 10.231 -12.614 1.00 0.00 C ATOM 1708 C MET A 107 -8.749 8.847 -12.348 1.00 0.00 C ATOM 1709 O MET A 107 -9.394 7.832 -12.601 1.00 0.00 O ATOM 1710 CB MET A 107 -10.266 10.166 -13.831 1.00 0.00 C ATOM 1711 CG MET A 107 -9.585 9.448 -14.998 1.00 0.00 C ATOM 1712 SD MET A 107 -8.397 10.531 -15.772 1.00 0.00 S ATOM 1713 CE MET A 107 -6.893 9.628 -15.440 1.00 0.00 C ATOM 0 H MET A 107 -7.544 10.891 -13.464 1.00 0.00 H new ATOM 0 HA MET A 107 -9.907 10.538 -11.734 1.00 0.00 H new ATOM 0 HB2 MET A 107 -11.186 9.645 -13.566 1.00 0.00 H new ATOM 0 HB3 MET A 107 -10.546 11.175 -14.134 1.00 0.00 H new ATOM 0 HG2 MET A 107 -9.088 8.546 -14.641 1.00 0.00 H new ATOM 0 HG3 MET A 107 -10.331 9.133 -15.727 1.00 0.00 H new ATOM 0 HE1 MET A 107 -6.039 10.194 -15.811 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.789 9.477 -14.366 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.932 8.660 -15.940 1.00 0.00 H new ATOM 1723 N ARG A 108 -7.526 8.850 -11.837 1.00 0.00 N ATOM 1724 CA ARG A 108 -6.838 7.608 -11.534 1.00 0.00 C ATOM 1725 C ARG A 108 -7.819 6.584 -10.959 1.00 0.00 C ATOM 1726 O ARG A 108 -8.339 5.739 -11.686 1.00 0.00 O ATOM 1727 CB ARG A 108 -5.704 7.835 -10.533 1.00 0.00 C ATOM 1728 CG ARG A 108 -6.218 7.751 -9.094 1.00 0.00 C ATOM 1729 CD ARG A 108 -7.395 8.704 -8.876 1.00 0.00 C ATOM 1730 NE ARG A 108 -8.003 8.463 -7.548 1.00 0.00 N ATOM 1731 CZ ARG A 108 -9.283 8.755 -7.237 1.00 0.00 C ATOM 1732 NH1 ARG A 108 -10.103 9.306 -8.158 1.00 0.00 N ATOM 1733 NH2 ARG A 108 -9.721 8.497 -6.019 1.00 0.00 N ATOM 0 H ARG A 108 -6.994 9.694 -11.625 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.415 7.229 -12.464 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.923 7.091 -10.688 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.252 8.812 -10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.527 6.729 -8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.413 7.997 -8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.055 9.737 -8.947 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -8.140 8.559 -9.658 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.417 8.050 -6.822 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.756 9.504 -9.096 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.069 9.524 -7.915 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.094 8.083 -5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.686 8.712 -5.768 1.00 0.00 H new TER 1746 ARG A 108