USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 857 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 84 GLN : amide:sc= -0.611 X(o=-0.39,f=-0.42) USER MOD Set 1.2: A 88 THR OG1 : rot 180:sc= 0.226 USER MOD Set 2.1: A 74 TYR OH : rot 134:sc= -0.339 USER MOD Set 2.2: A 75 LYS NZ :NH3+ 166:sc= 2.47 (180deg=1.72) USER MOD Set 3.1: A 73 TYR OH : rot -15:sc= -1.65! USER MOD Set 3.2: A 76 LYS NZ :NH3+ 171:sc= 1.42 (180deg=1.28) USER MOD Set 4.1: A 22 ASN : amide:sc= -0.0479 K(o=-0.21,f=-2.4!) USER MOD Set 4.2: A 25 MET CE :methyl 144:sc= -0.158 (180deg=-1.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= 1.37 (180deg=1.08) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.184 F(o=-1.3,f=-0.18) USER MOD Single : A 16 LYS NZ :NH3+ -119:sc= 0.433 (180deg=0.0391) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= -0.0312 (180deg=-0.202) USER MOD Single : A 20 ASN : amide:sc= 1.07 K(o=1.1,f=-0.28) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00307 USER MOD Single : A 44 SER OG : rot -58:sc= 1.22 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 110:sc= 0 USER MOD Single : A 50 SER OG : rot 82:sc= 1.22 USER MOD Single : A 51 SER OG : rot -23:sc= 0.113 USER MOD Single : A 52 HIS : no HD1:sc= 0.329 K(o=0.33,f=-6.8!) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.03) USER MOD Single : A 59 ASN : amide:sc= -2.6 K(o=-2.6,f=-6!) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.07) USER MOD Single : A 63 TYR OH : rot -15:sc= -0.162 USER MOD Single : A 65 MET CE :methyl 142:sc= -0.574 (180deg=-1.65) USER MOD Single : A 71 GLN : amide:sc= -0.928 K(o=-0.93,f=-1.9) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -4.64! C(o=-4.6!,f=-7.3!) USER MOD Single : A 89 THR OG1 : rot 69:sc= 1.08 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 95 HIS : no HE2:sc= 1.02 K(o=1,f=-4.8!) USER MOD Single : A 96 HIS : no HD1:sc= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : A 97 HIS : no HD1:sc=-0.00287 X(o=-0.0029,f=0) USER MOD Single : A 98 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.5!) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.925 17.051 2.593 1.00 0.00 N ATOM 2 CA MET A 1 -2.104 17.269 3.787 1.00 0.00 C ATOM 3 C MET A 1 -1.933 15.976 4.554 1.00 0.00 C ATOM 4 O MET A 1 -0.818 15.483 4.722 1.00 0.00 O ATOM 5 CB MET A 1 -2.714 18.339 4.705 1.00 0.00 C ATOM 6 CG MET A 1 -1.915 18.573 5.984 1.00 0.00 C ATOM 7 SD MET A 1 -2.713 19.729 7.110 1.00 0.00 S ATOM 8 CE MET A 1 -1.532 19.727 8.462 1.00 0.00 C ATOM 0 H1 MET A 1 -3.033 17.948 2.078 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.464 16.351 1.977 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.862 16.699 2.875 1.00 0.00 H new ATOM 0 HA MET A 1 -1.129 17.623 3.452 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.788 19.278 4.156 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.729 18.043 4.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.768 17.621 6.494 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.926 18.951 5.724 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.878 20.397 9.249 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.438 18.717 8.861 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.562 20.065 8.098 1.00 0.00 H new ATOM 20 N SER A 2 -3.019 15.431 5.017 1.00 0.00 N ATOM 21 CA SER A 2 -2.985 14.232 5.782 1.00 0.00 C ATOM 22 C SER A 2 -3.668 13.118 4.994 1.00 0.00 C ATOM 23 O SER A 2 -4.683 13.349 4.338 1.00 0.00 O ATOM 24 CB SER A 2 -3.717 14.471 7.102 1.00 0.00 C ATOM 25 OG SER A 2 -3.273 15.678 7.717 1.00 0.00 O ATOM 0 H SER A 2 -3.954 15.811 4.871 1.00 0.00 H new ATOM 0 HA SER A 2 -1.955 13.940 5.988 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.791 14.523 6.923 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.546 13.631 7.775 1.00 0.00 H new ATOM 0 HG SER A 2 -3.755 15.813 8.559 1.00 0.00 H new ATOM 31 N ILE A 3 -3.110 11.936 5.034 1.00 0.00 N ATOM 32 CA ILE A 3 -3.702 10.789 4.367 1.00 0.00 C ATOM 33 C ILE A 3 -4.606 10.038 5.368 1.00 0.00 C ATOM 34 O ILE A 3 -5.335 9.108 5.030 1.00 0.00 O ATOM 35 CB ILE A 3 -2.598 9.864 3.750 1.00 0.00 C ATOM 36 CG1 ILE A 3 -3.212 8.669 2.988 1.00 0.00 C ATOM 37 CG2 ILE A 3 -1.619 9.397 4.824 1.00 0.00 C ATOM 38 CD1 ILE A 3 -2.213 7.842 2.202 1.00 0.00 C ATOM 0 H ILE A 3 -2.239 11.734 5.524 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.318 11.125 3.533 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.042 10.454 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.718 8.020 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.973 9.044 2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.862 8.756 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.138 10.263 5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.158 8.838 5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.732 7.026 1.700 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.723 8.472 1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.465 7.433 2.881 1.00 0.00 H new ATOM 50 N LEU A 4 -4.611 10.539 6.598 1.00 0.00 N ATOM 51 CA LEU A 4 -5.418 9.991 7.693 1.00 0.00 C ATOM 52 C LEU A 4 -6.916 10.299 7.527 1.00 0.00 C ATOM 53 O LEU A 4 -7.714 10.056 8.437 1.00 0.00 O ATOM 54 CB LEU A 4 -4.922 10.528 9.048 1.00 0.00 C ATOM 55 CG LEU A 4 -3.565 10.014 9.543 1.00 0.00 C ATOM 56 CD1 LEU A 4 -3.132 10.782 10.781 1.00 0.00 C ATOM 57 CD2 LEU A 4 -3.646 8.528 9.867 1.00 0.00 C ATOM 0 H LEU A 4 -4.050 11.346 6.871 1.00 0.00 H new ATOM 0 HA LEU A 4 -5.299 8.908 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -4.870 11.615 8.984 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.671 10.289 9.803 1.00 0.00 H new ATOM 0 HG LEU A 4 -2.831 10.166 8.752 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -2.167 10.407 11.123 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.045 11.842 10.540 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.873 10.649 11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -2.675 8.178 10.217 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.392 8.365 10.645 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.929 7.975 8.971 1.00 0.00 H new ATOM 69 N GLU A 5 -7.297 10.810 6.371 1.00 0.00 N ATOM 70 CA GLU A 5 -8.685 11.111 6.089 1.00 0.00 C ATOM 71 C GLU A 5 -9.435 9.829 5.760 1.00 0.00 C ATOM 72 O GLU A 5 -10.662 9.763 5.880 1.00 0.00 O ATOM 73 CB GLU A 5 -8.824 12.044 4.888 1.00 0.00 C ATOM 74 CG GLU A 5 -8.057 13.340 4.954 1.00 0.00 C ATOM 75 CD GLU A 5 -8.469 14.262 3.836 1.00 0.00 C ATOM 76 OE1 GLU A 5 -8.046 14.062 2.675 1.00 0.00 O ATOM 77 OE2 GLU A 5 -9.281 15.173 4.090 1.00 0.00 O ATOM 0 H GLU A 5 -6.657 11.026 5.607 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.096 11.594 6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.505 11.503 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -9.881 12.278 4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.234 13.824 5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.988 13.139 4.890 1.00 0.00 H new ATOM 84 N ASP A 6 -8.698 8.817 5.365 1.00 0.00 N ATOM 85 CA ASP A 6 -9.297 7.589 4.887 1.00 0.00 C ATOM 86 C ASP A 6 -9.594 6.609 6.032 1.00 0.00 C ATOM 87 O ASP A 6 -8.770 6.438 6.947 1.00 0.00 O ATOM 88 CB ASP A 6 -8.393 6.930 3.854 1.00 0.00 C ATOM 89 CG ASP A 6 -9.099 5.831 3.127 1.00 0.00 C ATOM 90 OD1 ASP A 6 -9.088 4.701 3.607 1.00 0.00 O ATOM 91 OD2 ASP A 6 -9.719 6.115 2.079 1.00 0.00 O ATOM 0 H ASP A 6 -7.678 8.819 5.365 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.248 7.849 4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.050 7.678 3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.507 6.530 4.347 1.00 0.00 H new ATOM 96 N PRO A 7 -10.792 5.981 6.036 1.00 0.00 N ATOM 97 CA PRO A 7 -11.167 4.997 7.058 1.00 0.00 C ATOM 98 C PRO A 7 -10.401 3.676 6.930 1.00 0.00 C ATOM 99 O PRO A 7 -10.166 2.984 7.925 1.00 0.00 O ATOM 100 CB PRO A 7 -12.662 4.743 6.803 1.00 0.00 C ATOM 101 CG PRO A 7 -13.100 5.811 5.861 1.00 0.00 C ATOM 102 CD PRO A 7 -11.894 6.204 5.076 1.00 0.00 C ATOM 0 HA PRO A 7 -10.938 5.373 8.055 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.823 3.754 6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.230 4.784 7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -13.890 5.448 5.203 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.505 6.665 6.404 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.779 5.595 4.179 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.944 7.243 4.751 1.00 0.00 H new ATOM 110 N GLU A 8 -10.051 3.305 5.729 1.00 0.00 N ATOM 111 CA GLU A 8 -9.354 2.061 5.505 1.00 0.00 C ATOM 112 C GLU A 8 -7.900 2.226 5.905 1.00 0.00 C ATOM 113 O GLU A 8 -7.284 1.321 6.470 1.00 0.00 O ATOM 114 CB GLU A 8 -9.489 1.601 4.049 1.00 0.00 C ATOM 115 CG GLU A 8 -10.929 1.553 3.549 1.00 0.00 C ATOM 116 CD GLU A 8 -11.841 0.714 4.417 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.398 1.245 5.415 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.060 -0.465 4.112 1.00 0.00 O ATOM 0 H GLU A 8 -10.236 3.847 4.885 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.804 1.283 6.121 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.915 2.273 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.046 0.610 3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.322 2.569 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.940 1.156 2.534 1.00 0.00 H new ATOM 125 N PHE A 9 -7.377 3.415 5.647 1.00 0.00 N ATOM 126 CA PHE A 9 -5.997 3.756 5.983 1.00 0.00 C ATOM 127 C PHE A 9 -5.751 3.668 7.487 1.00 0.00 C ATOM 128 O PHE A 9 -4.723 3.143 7.930 1.00 0.00 O ATOM 129 CB PHE A 9 -5.637 5.150 5.457 1.00 0.00 C ATOM 130 CG PHE A 9 -4.200 5.519 5.666 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.228 5.074 4.789 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.819 6.296 6.746 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.907 5.398 4.982 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.498 6.621 6.946 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.541 6.172 6.062 1.00 0.00 C ATOM 0 H PHE A 9 -7.894 4.172 5.199 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.349 3.026 5.497 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.864 5.197 4.392 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.268 5.889 5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.510 4.465 3.943 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.567 6.651 7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.157 5.047 4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.211 7.226 7.793 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.503 6.427 6.216 1.00 0.00 H new ATOM 145 N VAL A 10 -6.691 4.166 8.272 1.00 0.00 N ATOM 146 CA VAL A 10 -6.567 4.091 9.718 1.00 0.00 C ATOM 147 C VAL A 10 -6.597 2.618 10.174 1.00 0.00 C ATOM 148 O VAL A 10 -5.915 2.233 11.126 1.00 0.00 O ATOM 149 CB VAL A 10 -7.604 4.982 10.493 1.00 0.00 C ATOM 150 CG1 VAL A 10 -9.030 4.478 10.377 1.00 0.00 C ATOM 151 CG2 VAL A 10 -7.196 5.157 11.952 1.00 0.00 C ATOM 0 H VAL A 10 -7.540 4.622 7.938 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.598 4.517 9.979 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.588 5.959 10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.695 5.137 10.934 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.327 4.465 9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.094 3.469 10.785 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.932 5.778 12.464 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.146 4.181 12.435 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.219 5.637 12.001 1.00 0.00 H new ATOM 161 N LYS A 11 -7.376 1.786 9.470 1.00 0.00 N ATOM 162 CA LYS A 11 -7.400 0.345 9.741 1.00 0.00 C ATOM 163 C LYS A 11 -6.027 -0.261 9.470 1.00 0.00 C ATOM 164 O LYS A 11 -5.575 -1.129 10.204 1.00 0.00 O ATOM 165 CB LYS A 11 -8.456 -0.379 8.907 1.00 0.00 C ATOM 166 CG LYS A 11 -9.871 0.075 9.169 1.00 0.00 C ATOM 167 CD LYS A 11 -10.868 -0.713 8.341 1.00 0.00 C ATOM 168 CE LYS A 11 -12.281 -0.205 8.549 1.00 0.00 C ATOM 169 NZ LYS A 11 -12.446 1.182 8.066 1.00 0.00 N ATOM 0 H LYS A 11 -7.993 2.084 8.714 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.661 0.216 10.791 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.230 -0.234 7.851 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.387 -1.449 9.104 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.102 -0.042 10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.963 1.136 8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.605 -0.641 7.286 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.815 -1.768 8.611 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.981 -0.857 8.027 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.531 -0.252 9.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.111 1.688 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.525 1.666 8.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.818 1.169 7.095 1.00 0.00 H new ATOM 183 N LEU A 12 -5.355 0.236 8.436 1.00 0.00 N ATOM 184 CA LEU A 12 -4.010 -0.221 8.082 1.00 0.00 C ATOM 185 C LEU A 12 -3.022 0.087 9.185 1.00 0.00 C ATOM 186 O LEU A 12 -2.148 -0.708 9.466 1.00 0.00 O ATOM 187 CB LEU A 12 -3.520 0.421 6.783 1.00 0.00 C ATOM 188 CG LEU A 12 -4.345 0.148 5.542 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.792 0.929 4.388 1.00 0.00 C ATOM 190 CD2 LEU A 12 -4.340 -1.328 5.213 1.00 0.00 C ATOM 0 H LEU A 12 -5.722 0.963 7.822 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.073 -1.300 7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.474 1.500 6.932 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.501 0.081 6.597 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.373 0.456 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.387 0.731 3.496 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.827 1.994 4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.759 0.631 4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.938 -1.503 4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.316 -1.658 5.036 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.762 -1.888 6.047 1.00 0.00 H new ATOM 202 N ARG A 13 -3.183 1.232 9.828 1.00 0.00 N ATOM 203 CA ARG A 13 -2.279 1.624 10.905 1.00 0.00 C ATOM 204 C ARG A 13 -2.465 0.683 12.109 1.00 0.00 C ATOM 205 O ARG A 13 -1.506 0.320 12.794 1.00 0.00 O ATOM 206 CB ARG A 13 -2.519 3.090 11.316 1.00 0.00 C ATOM 207 CG ARG A 13 -1.440 3.661 12.233 1.00 0.00 C ATOM 208 CD ARG A 13 -0.112 3.805 11.500 1.00 0.00 C ATOM 209 NE ARG A 13 0.997 4.156 12.393 1.00 0.00 N ATOM 210 CZ ARG A 13 2.272 4.271 12.000 1.00 0.00 C ATOM 211 NH1 ARG A 13 2.559 4.480 10.720 1.00 0.00 N ATOM 212 NH2 ARG A 13 3.243 4.297 12.899 1.00 0.00 N ATOM 0 H ARG A 13 -3.924 1.904 9.628 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.252 1.542 10.549 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.580 3.704 10.417 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.484 3.163 11.818 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.757 4.633 12.610 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.312 3.010 13.098 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.120 2.869 10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.209 4.571 10.730 1.00 0.00 H new ATOM 0 HE ARG A 13 0.784 4.323 13.376 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.808 4.553 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.531 4.567 10.423 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.020 4.229 13.892 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.214 4.385 12.599 1.00 0.00 H new ATOM 226 N GLN A 14 -3.703 0.264 12.315 1.00 0.00 N ATOM 227 CA GLN A 14 -4.058 -0.658 13.390 1.00 0.00 C ATOM 228 C GLN A 14 -3.575 -2.078 13.049 1.00 0.00 C ATOM 229 O GLN A 14 -3.232 -2.862 13.927 1.00 0.00 O ATOM 230 CB GLN A 14 -5.576 -0.635 13.603 1.00 0.00 C ATOM 231 CG GLN A 14 -6.109 0.735 14.011 1.00 0.00 C ATOM 232 CD GLN A 14 -7.624 0.808 14.039 1.00 0.00 C ATOM 233 OE1 GLN A 14 -8.207 1.208 12.941 1.00 0.00 O flip ATOM 234 NE2 GLN A 14 -8.259 0.538 15.055 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.495 0.553 11.741 1.00 0.00 H new ATOM 0 HA GLN A 14 -3.570 -0.346 14.313 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.069 -0.950 12.683 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.839 -1.363 14.371 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.722 0.988 14.998 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.729 1.486 13.318 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.770 0.228 15.895 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -9.275 0.623 15.059 1.00 0.00 H new ATOM 243 N PHE A 15 -3.550 -2.378 11.767 1.00 0.00 N ATOM 244 CA PHE A 15 -3.076 -3.660 11.240 1.00 0.00 C ATOM 245 C PHE A 15 -1.541 -3.697 11.319 1.00 0.00 C ATOM 246 O PHE A 15 -0.927 -4.769 11.519 1.00 0.00 O ATOM 247 CB PHE A 15 -3.546 -3.772 9.774 1.00 0.00 C ATOM 248 CG PHE A 15 -3.303 -5.093 9.098 1.00 0.00 C ATOM 249 CD1 PHE A 15 -4.246 -6.104 9.183 1.00 0.00 C ATOM 250 CD2 PHE A 15 -2.150 -5.317 8.361 1.00 0.00 C ATOM 251 CE1 PHE A 15 -4.043 -7.311 8.553 1.00 0.00 C ATOM 252 CE2 PHE A 15 -1.946 -6.522 7.728 1.00 0.00 C ATOM 253 CZ PHE A 15 -2.894 -7.520 7.825 1.00 0.00 C ATOM 0 H PHE A 15 -3.862 -1.732 11.042 1.00 0.00 H new ATOM 0 HA PHE A 15 -3.473 -4.495 11.818 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.615 -3.561 9.740 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -3.049 -2.994 9.194 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.151 -5.943 9.750 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.405 -4.539 8.283 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.784 -8.093 8.630 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.045 -6.686 7.156 1.00 0.00 H new ATOM 0 HZ PHE A 15 -2.734 -8.466 7.329 1.00 0.00 H new ATOM 263 N LYS A 16 -0.956 -2.518 11.141 1.00 0.00 N ATOM 264 CA LYS A 16 0.477 -2.239 11.182 1.00 0.00 C ATOM 265 C LYS A 16 1.186 -2.773 9.951 1.00 0.00 C ATOM 266 O LYS A 16 1.641 -2.013 9.129 1.00 0.00 O ATOM 267 CB LYS A 16 1.154 -2.721 12.480 1.00 0.00 C ATOM 268 CG LYS A 16 2.606 -2.287 12.600 1.00 0.00 C ATOM 269 CD LYS A 16 3.239 -2.739 13.904 1.00 0.00 C ATOM 270 CE LYS A 16 4.642 -2.163 14.038 1.00 0.00 C ATOM 271 NZ LYS A 16 5.293 -2.503 15.327 1.00 0.00 N ATOM 0 H LYS A 16 -1.503 -1.678 10.952 1.00 0.00 H new ATOM 0 HA LYS A 16 0.572 -1.153 11.178 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.596 -2.339 13.335 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.103 -3.809 12.526 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.174 -2.693 11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.665 -1.201 12.528 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.625 -2.417 14.745 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.281 -3.828 13.938 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.259 -2.532 13.219 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.594 -1.079 13.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.507 -1.629 15.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.654 -3.097 15.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.176 -3.022 15.144 1.00 0.00 H new ATOM 285 N GLY A 17 1.244 -4.068 9.819 1.00 0.00 N ATOM 286 CA GLY A 17 1.921 -4.656 8.709 1.00 0.00 C ATOM 287 C GLY A 17 2.360 -6.055 9.008 1.00 0.00 C ATOM 288 O GLY A 17 3.305 -6.277 9.749 1.00 0.00 O ATOM 0 H GLY A 17 0.828 -4.734 10.470 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.262 -4.659 7.841 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.789 -4.050 8.449 1.00 0.00 H new ATOM 292 N LYS A 18 1.655 -6.995 8.449 1.00 0.00 N ATOM 293 CA LYS A 18 1.950 -8.413 8.612 1.00 0.00 C ATOM 294 C LYS A 18 2.421 -8.948 7.263 1.00 0.00 C ATOM 295 O LYS A 18 2.406 -10.151 6.970 1.00 0.00 O ATOM 296 CB LYS A 18 0.683 -9.112 9.082 1.00 0.00 C ATOM 297 CG LYS A 18 0.203 -8.584 10.425 1.00 0.00 C ATOM 298 CD LYS A 18 -1.198 -9.063 10.786 1.00 0.00 C ATOM 299 CE LYS A 18 -1.275 -10.581 10.908 1.00 0.00 C ATOM 300 NZ LYS A 18 -0.344 -11.100 11.936 1.00 0.00 N ATOM 0 H LYS A 18 0.846 -6.809 7.857 1.00 0.00 H new ATOM 0 HA LYS A 18 2.732 -8.588 9.351 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.102 -8.977 8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.868 -10.183 9.159 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.900 -8.897 11.203 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.215 -7.494 10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.504 -8.609 11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.903 -8.725 10.026 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.294 -10.874 11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.042 -11.035 9.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.555 -12.101 12.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.635 -11.009 11.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.457 -10.554 12.814 1.00 0.00 H new ATOM 314 N VAL A 19 2.870 -8.011 6.475 1.00 0.00 N ATOM 315 CA VAL A 19 3.305 -8.208 5.116 1.00 0.00 C ATOM 316 C VAL A 19 4.807 -8.027 5.036 1.00 0.00 C ATOM 317 O VAL A 19 5.417 -7.491 5.971 1.00 0.00 O ATOM 318 CB VAL A 19 2.646 -7.146 4.192 1.00 0.00 C ATOM 319 CG1 VAL A 19 1.153 -7.329 4.135 1.00 0.00 C ATOM 320 CG2 VAL A 19 2.961 -5.740 4.691 1.00 0.00 C ATOM 0 H VAL A 19 2.947 -7.040 6.776 1.00 0.00 H new ATOM 0 HA VAL A 19 3.021 -9.212 4.800 1.00 0.00 H new ATOM 0 HB VAL A 19 3.055 -7.279 3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.718 -6.573 3.482 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.923 -8.321 3.746 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.735 -7.227 5.137 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.493 -5.007 4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.575 -5.618 5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.040 -5.588 4.693 1.00 0.00 H new ATOM 330 N ASN A 20 5.401 -8.473 3.959 1.00 0.00 N ATOM 331 CA ASN A 20 6.818 -8.252 3.733 1.00 0.00 C ATOM 332 C ASN A 20 7.048 -6.866 3.183 1.00 0.00 C ATOM 333 O ASN A 20 6.535 -6.532 2.112 1.00 0.00 O ATOM 334 CB ASN A 20 7.431 -9.302 2.796 1.00 0.00 C ATOM 335 CG ASN A 20 7.694 -10.623 3.482 1.00 0.00 C ATOM 336 OD1 ASN A 20 8.765 -10.833 4.034 1.00 0.00 O ATOM 337 ND2 ASN A 20 6.758 -11.520 3.443 1.00 0.00 N ATOM 0 H ASN A 20 4.929 -8.993 3.219 1.00 0.00 H new ATOM 0 HA ASN A 20 7.317 -8.349 4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.760 -9.464 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.366 -8.917 2.390 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.905 -12.430 3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.875 -11.316 2.975 1.00 0.00 H new ATOM 344 N PHE A 21 7.815 -6.063 3.916 1.00 0.00 N ATOM 345 CA PHE A 21 8.127 -4.679 3.534 1.00 0.00 C ATOM 346 C PHE A 21 8.697 -4.599 2.123 1.00 0.00 C ATOM 347 O PHE A 21 8.243 -3.790 1.306 1.00 0.00 O ATOM 348 CB PHE A 21 9.108 -4.036 4.538 1.00 0.00 C ATOM 349 CG PHE A 21 9.577 -2.658 4.122 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.763 -1.558 4.294 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.822 -2.477 3.530 1.00 0.00 C ATOM 352 CE1 PHE A 21 9.174 -0.305 3.893 1.00 0.00 C ATOM 353 CE2 PHE A 21 11.236 -1.227 3.124 1.00 0.00 C ATOM 354 CZ PHE A 21 10.411 -0.138 3.305 1.00 0.00 C ATOM 0 H PHE A 21 8.242 -6.351 4.797 1.00 0.00 H new ATOM 0 HA PHE A 21 7.190 -4.123 3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.626 -3.968 5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.975 -4.687 4.655 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.791 -1.680 4.749 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.473 -3.327 3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.527 0.547 4.039 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.205 -1.101 2.665 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.732 0.843 2.988 1.00 0.00 H new ATOM 364 N ASN A 22 9.667 -5.457 1.841 1.00 0.00 N ATOM 365 CA ASN A 22 10.318 -5.501 0.534 1.00 0.00 C ATOM 366 C ASN A 22 9.328 -5.777 -0.554 1.00 0.00 C ATOM 367 O ASN A 22 9.415 -5.208 -1.637 1.00 0.00 O ATOM 368 CB ASN A 22 11.439 -6.545 0.485 1.00 0.00 C ATOM 369 CG ASN A 22 12.683 -6.117 1.222 1.00 0.00 C ATOM 370 OD1 ASN A 22 13.006 -4.929 1.287 1.00 0.00 O ATOM 371 ND2 ASN A 22 13.405 -7.064 1.755 1.00 0.00 N ATOM 0 H ASN A 22 10.026 -6.141 2.507 1.00 0.00 H new ATOM 0 HA ASN A 22 10.760 -4.518 0.374 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.075 -7.479 0.912 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.693 -6.748 -0.556 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.269 -6.832 2.246 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.106 -8.036 1.681 1.00 0.00 H new ATOM 378 N LEU A 23 8.347 -6.603 -0.257 1.00 0.00 N ATOM 379 CA LEU A 23 7.387 -6.931 -1.249 1.00 0.00 C ATOM 380 C LEU A 23 6.400 -5.804 -1.450 1.00 0.00 C ATOM 381 O LEU A 23 6.107 -5.478 -2.568 1.00 0.00 O ATOM 382 CB LEU A 23 6.700 -8.273 -1.005 1.00 0.00 C ATOM 383 CG LEU A 23 5.693 -8.701 -2.085 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.320 -8.632 -3.464 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.221 -10.102 -1.832 1.00 0.00 C ATOM 0 H LEU A 23 8.207 -7.045 0.652 1.00 0.00 H new ATOM 0 HA LEU A 23 7.935 -7.057 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.466 -9.044 -0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.183 -8.229 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 23 4.846 -8.016 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.589 -8.939 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.640 -7.610 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.183 -9.297 -3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.509 -10.391 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.073 -10.782 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.738 -10.153 -0.856 1.00 0.00 H new ATOM 397 N VAL A 24 5.927 -5.184 -0.374 1.00 0.00 N ATOM 398 CA VAL A 24 5.007 -4.042 -0.497 1.00 0.00 C ATOM 399 C VAL A 24 5.670 -2.927 -1.292 1.00 0.00 C ATOM 400 O VAL A 24 5.074 -2.370 -2.210 1.00 0.00 O ATOM 401 CB VAL A 24 4.562 -3.499 0.878 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.612 -2.311 0.729 1.00 0.00 C ATOM 403 CG2 VAL A 24 3.896 -4.584 1.663 1.00 0.00 C ATOM 0 H VAL A 24 6.158 -5.443 0.585 1.00 0.00 H new ATOM 0 HA VAL A 24 4.117 -4.397 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 24 5.451 -3.157 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.319 -1.954 1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.114 -1.509 0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.725 -2.622 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.585 -4.194 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.022 -4.943 1.119 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.595 -5.407 1.811 1.00 0.00 H new ATOM 413 N MET A 25 6.925 -2.655 -0.968 1.00 0.00 N ATOM 414 CA MET A 25 7.713 -1.649 -1.663 1.00 0.00 C ATOM 415 C MET A 25 7.806 -1.994 -3.154 1.00 0.00 C ATOM 416 O MET A 25 7.713 -1.113 -4.017 1.00 0.00 O ATOM 417 CB MET A 25 9.104 -1.546 -1.021 1.00 0.00 C ATOM 418 CG MET A 25 10.037 -0.529 -1.659 1.00 0.00 C ATOM 419 SD MET A 25 11.601 -0.357 -0.758 1.00 0.00 S ATOM 420 CE MET A 25 12.228 -2.038 -0.813 1.00 0.00 C ATOM 0 H MET A 25 7.426 -3.126 -0.215 1.00 0.00 H new ATOM 0 HA MET A 25 7.227 -0.677 -1.575 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.983 -1.293 0.032 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.579 -2.526 -1.061 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.245 -0.827 -2.687 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.538 0.439 -1.702 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.313 -2.018 -0.916 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.960 -2.557 0.107 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.792 -2.561 -1.664 1.00 0.00 H new ATOM 430 N GLN A 26 7.930 -3.281 -3.439 1.00 0.00 N ATOM 431 CA GLN A 26 7.965 -3.776 -4.799 1.00 0.00 C ATOM 432 C GLN A 26 6.577 -3.701 -5.451 1.00 0.00 C ATOM 433 O GLN A 26 6.473 -3.380 -6.612 1.00 0.00 O ATOM 434 CB GLN A 26 8.506 -5.201 -4.840 1.00 0.00 C ATOM 435 CG GLN A 26 8.489 -5.836 -6.219 1.00 0.00 C ATOM 436 CD GLN A 26 9.058 -7.226 -6.221 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.995 -7.944 -5.223 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.591 -7.627 -7.329 1.00 0.00 N ATOM 0 H GLN A 26 8.009 -4.010 -2.730 1.00 0.00 H new ATOM 0 HA GLN A 26 8.638 -3.138 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.530 -5.199 -4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.920 -5.820 -4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.464 -5.866 -6.589 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.058 -5.213 -6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.624 -7.002 -8.134 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.978 -8.568 -7.397 1.00 0.00 H new ATOM 447 N ILE A 27 5.525 -3.994 -4.690 1.00 0.00 N ATOM 448 CA ILE A 27 4.132 -3.913 -5.168 1.00 0.00 C ATOM 449 C ILE A 27 3.854 -2.502 -5.664 1.00 0.00 C ATOM 450 O ILE A 27 3.394 -2.296 -6.786 1.00 0.00 O ATOM 451 CB ILE A 27 3.094 -4.255 -4.030 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.242 -5.703 -3.509 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.654 -3.992 -4.471 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.006 -6.789 -4.536 1.00 0.00 C ATOM 0 H ILE A 27 5.607 -4.296 -3.719 1.00 0.00 H new ATOM 0 HA ILE A 27 4.016 -4.643 -5.969 1.00 0.00 H new ATOM 0 HB ILE A 27 3.325 -3.582 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.246 -5.824 -3.101 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.544 -5.848 -2.685 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.973 -4.241 -3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.540 -2.940 -4.731 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.421 -4.608 -5.340 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.134 -7.765 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.993 -6.705 -4.928 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.721 -6.680 -5.351 1.00 0.00 H new ATOM 466 N LEU A 28 4.206 -1.546 -4.831 1.00 0.00 N ATOM 467 CA LEU A 28 4.004 -0.133 -5.099 1.00 0.00 C ATOM 468 C LEU A 28 4.831 0.307 -6.315 1.00 0.00 C ATOM 469 O LEU A 28 4.405 1.121 -7.123 1.00 0.00 O ATOM 470 CB LEU A 28 4.410 0.653 -3.857 1.00 0.00 C ATOM 471 CG LEU A 28 3.701 0.246 -2.549 1.00 0.00 C ATOM 472 CD1 LEU A 28 4.265 1.000 -1.373 1.00 0.00 C ATOM 473 CD2 LEU A 28 2.196 0.446 -2.639 1.00 0.00 C ATOM 0 H LEU A 28 4.649 -1.730 -3.931 1.00 0.00 H new ATOM 0 HA LEU A 28 2.956 0.057 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.485 0.544 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.218 1.710 -4.039 1.00 0.00 H new ATOM 0 HG LEU A 28 3.886 -0.818 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.748 0.695 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.329 0.781 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.127 2.070 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.732 0.148 -1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.980 1.496 -2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.796 -0.163 -3.450 1.00 0.00 H new ATOM 485 N ASP A 29 5.993 -0.283 -6.439 1.00 0.00 N ATOM 486 CA ASP A 29 6.937 -0.024 -7.536 1.00 0.00 C ATOM 487 C ASP A 29 6.409 -0.620 -8.831 1.00 0.00 C ATOM 488 O ASP A 29 6.435 0.016 -9.896 1.00 0.00 O ATOM 489 CB ASP A 29 8.248 -0.712 -7.184 1.00 0.00 C ATOM 490 CG ASP A 29 9.375 -0.462 -8.148 1.00 0.00 C ATOM 491 OD1 ASP A 29 10.020 0.592 -8.054 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.683 -1.359 -8.968 1.00 0.00 O ATOM 0 H ASP A 29 6.332 -0.976 -5.772 1.00 0.00 H new ATOM 0 HA ASP A 29 7.072 1.050 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.559 -0.384 -6.192 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.073 -1.786 -7.124 1.00 0.00 H new ATOM 497 N GLU A 30 5.928 -1.830 -8.717 1.00 0.00 N ATOM 498 CA GLU A 30 5.430 -2.596 -9.841 1.00 0.00 C ATOM 499 C GLU A 30 4.108 -1.992 -10.374 1.00 0.00 C ATOM 500 O GLU A 30 3.898 -1.912 -11.583 1.00 0.00 O ATOM 501 CB GLU A 30 5.269 -4.082 -9.451 1.00 0.00 C ATOM 502 CG GLU A 30 5.332 -5.049 -10.629 1.00 0.00 C ATOM 503 CD GLU A 30 5.124 -6.501 -10.234 1.00 0.00 C ATOM 504 OE1 GLU A 30 6.080 -7.161 -9.777 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.022 -7.025 -10.419 1.00 0.00 O ATOM 0 H GLU A 30 5.868 -2.324 -7.827 1.00 0.00 H new ATOM 0 HA GLU A 30 6.157 -2.545 -10.651 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.050 -4.345 -8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.314 -4.211 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.574 -4.768 -11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.301 -4.949 -11.119 1.00 0.00 H new ATOM 512 N ILE A 31 3.227 -1.536 -9.475 1.00 0.00 N ATOM 513 CA ILE A 31 1.995 -0.873 -9.929 1.00 0.00 C ATOM 514 C ILE A 31 2.352 0.461 -10.571 1.00 0.00 C ATOM 515 O ILE A 31 1.761 0.842 -11.568 1.00 0.00 O ATOM 516 CB ILE A 31 0.920 -0.646 -8.805 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.443 0.272 -7.697 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.446 -1.971 -8.229 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.429 0.611 -6.635 1.00 0.00 C ATOM 0 H ILE A 31 3.335 -1.609 -8.463 1.00 0.00 H new ATOM 0 HA ILE A 31 1.533 -1.551 -10.646 1.00 0.00 H new ATOM 0 HB ILE A 31 0.067 -0.149 -9.268 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.301 -0.204 -7.223 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.801 1.197 -8.148 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.297 -1.786 -7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.001 -2.574 -9.021 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.294 -2.505 -7.799 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.885 1.265 -5.892 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.420 1.119 -7.092 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.088 -0.305 -6.152 1.00 0.00 H new ATOM 531 N GLU A 32 3.360 1.139 -10.001 1.00 0.00 N ATOM 532 CA GLU A 32 3.855 2.393 -10.522 1.00 0.00 C ATOM 533 C GLU A 32 4.343 2.236 -11.958 1.00 0.00 C ATOM 534 O GLU A 32 3.993 3.032 -12.813 1.00 0.00 O ATOM 535 CB GLU A 32 4.993 2.948 -9.646 1.00 0.00 C ATOM 536 CG GLU A 32 5.700 4.139 -10.267 1.00 0.00 C ATOM 537 CD GLU A 32 6.837 4.669 -9.452 1.00 0.00 C ATOM 538 OE1 GLU A 32 7.958 4.128 -9.555 1.00 0.00 O ATOM 539 OE2 GLU A 32 6.656 5.657 -8.719 1.00 0.00 O ATOM 0 H GLU A 32 3.847 0.820 -9.163 1.00 0.00 H new ATOM 0 HA GLU A 32 3.025 3.099 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.588 3.239 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.720 2.157 -9.463 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.074 3.853 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.975 4.938 -10.422 1.00 0.00 H new ATOM 546 N LEU A 33 5.125 1.185 -12.225 1.00 0.00 N ATOM 547 CA LEU A 33 5.692 0.983 -13.556 1.00 0.00 C ATOM 548 C LEU A 33 4.611 0.749 -14.602 1.00 0.00 C ATOM 549 O LEU A 33 4.765 1.135 -15.760 1.00 0.00 O ATOM 550 CB LEU A 33 6.805 -0.116 -13.569 1.00 0.00 C ATOM 551 CG LEU A 33 6.421 -1.578 -13.231 1.00 0.00 C ATOM 552 CD1 LEU A 33 5.801 -2.309 -14.417 1.00 0.00 C ATOM 553 CD2 LEU A 33 7.611 -2.346 -12.690 1.00 0.00 C ATOM 0 H LEU A 33 5.376 0.469 -11.543 1.00 0.00 H new ATOM 0 HA LEU A 33 6.192 1.911 -13.835 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.256 -0.115 -14.561 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.579 0.192 -12.866 1.00 0.00 H new ATOM 0 HG LEU A 33 5.659 -1.527 -12.453 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.551 -3.329 -14.125 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.896 -1.789 -14.732 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.512 -2.332 -15.243 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.311 -3.369 -12.462 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.405 -2.359 -13.436 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.974 -1.863 -11.782 1.00 0.00 H new ATOM 565 N ASP A 34 3.524 0.114 -14.200 1.00 0.00 N ATOM 566 CA ASP A 34 2.415 -0.109 -15.110 1.00 0.00 C ATOM 567 C ASP A 34 1.620 1.166 -15.294 1.00 0.00 C ATOM 568 O ASP A 34 1.334 1.574 -16.422 1.00 0.00 O ATOM 569 CB ASP A 34 1.494 -1.218 -14.635 1.00 0.00 C ATOM 570 CG ASP A 34 0.434 -1.522 -15.668 1.00 0.00 C ATOM 571 OD1 ASP A 34 -0.655 -0.893 -15.653 1.00 0.00 O ATOM 572 OD2 ASP A 34 0.679 -2.389 -16.521 1.00 0.00 O ATOM 0 H ASP A 34 3.386 -0.253 -13.258 1.00 0.00 H new ATOM 0 HA ASP A 34 2.844 -0.418 -16.063 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.076 -2.117 -14.431 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.020 -0.926 -13.698 1.00 0.00 H new ATOM 577 N LEU A 35 1.286 1.795 -14.167 1.00 0.00 N ATOM 578 CA LEU A 35 0.517 3.036 -14.128 1.00 0.00 C ATOM 579 C LEU A 35 1.203 4.119 -14.939 1.00 0.00 C ATOM 580 O LEU A 35 0.550 4.916 -15.605 1.00 0.00 O ATOM 581 CB LEU A 35 0.334 3.482 -12.667 1.00 0.00 C ATOM 582 CG LEU A 35 -0.358 4.827 -12.425 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.740 4.853 -13.041 1.00 0.00 C ATOM 584 CD2 LEU A 35 -0.432 5.120 -10.942 1.00 0.00 C ATOM 0 H LEU A 35 1.547 1.451 -13.243 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.463 2.860 -14.571 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.236 2.711 -12.148 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.318 3.520 -12.200 1.00 0.00 H new ATOM 0 HG LEU A 35 0.236 5.603 -12.908 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.205 5.821 -12.852 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.662 4.692 -14.116 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.350 4.065 -12.599 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.926 6.079 -10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.999 4.334 -10.444 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.576 5.159 -10.528 1.00 0.00 H new ATOM 596 N ARG A 36 2.512 4.150 -14.858 1.00 0.00 N ATOM 597 CA ARG A 36 3.333 5.043 -15.633 1.00 0.00 C ATOM 598 C ARG A 36 3.153 4.695 -17.114 1.00 0.00 C ATOM 599 O ARG A 36 3.717 3.721 -17.610 1.00 0.00 O ATOM 600 CB ARG A 36 4.794 4.883 -15.184 1.00 0.00 C ATOM 601 CG ARG A 36 5.812 5.778 -15.860 1.00 0.00 C ATOM 602 CD ARG A 36 7.198 5.569 -15.242 1.00 0.00 C ATOM 603 NE ARG A 36 7.687 4.181 -15.383 1.00 0.00 N ATOM 604 CZ ARG A 36 8.590 3.584 -14.573 1.00 0.00 C ATOM 605 NH1 ARG A 36 9.112 4.241 -13.537 1.00 0.00 N ATOM 606 NH2 ARG A 36 8.983 2.341 -14.822 1.00 0.00 N ATOM 0 H ARG A 36 3.045 3.541 -14.237 1.00 0.00 H new ATOM 0 HA ARG A 36 3.046 6.084 -15.484 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.842 5.063 -14.110 1.00 0.00 H new ATOM 0 HB3 ARG A 36 5.089 3.847 -15.348 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.846 5.560 -16.927 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.514 6.821 -15.757 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.907 6.249 -15.715 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.162 5.831 -14.184 1.00 0.00 H new ATOM 0 HE ARG A 36 7.313 3.629 -16.154 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.831 5.203 -13.349 1.00 0.00 H new ATOM 0 HH12 ARG A 36 9.793 3.781 -12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.604 1.837 -15.624 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.664 1.890 -14.212 1.00 0.00 H new ATOM 620 N GLY A 37 2.295 5.446 -17.772 1.00 0.00 N ATOM 621 CA GLY A 37 1.963 5.195 -19.148 1.00 0.00 C ATOM 622 C GLY A 37 0.463 5.311 -19.384 1.00 0.00 C ATOM 623 O GLY A 37 0.015 5.507 -20.516 1.00 0.00 O ATOM 0 H GLY A 37 1.811 6.246 -17.363 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.490 5.904 -19.787 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.302 4.198 -19.430 1.00 0.00 H new ATOM 627 N SER A 38 -0.312 5.202 -18.319 1.00 0.00 N ATOM 628 CA SER A 38 -1.762 5.324 -18.383 1.00 0.00 C ATOM 629 C SER A 38 -2.241 5.959 -17.068 1.00 0.00 C ATOM 630 O SER A 38 -1.461 6.642 -16.403 1.00 0.00 O ATOM 631 CB SER A 38 -2.372 3.926 -18.563 1.00 0.00 C ATOM 632 OG SER A 38 -2.036 3.086 -17.471 1.00 0.00 O ATOM 0 H SER A 38 0.046 5.026 -17.380 1.00 0.00 H new ATOM 0 HA SER A 38 -2.070 5.947 -19.223 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.456 4.005 -18.647 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.012 3.484 -19.492 1.00 0.00 H new ATOM 0 HG SER A 38 -2.435 2.201 -17.604 1.00 0.00 H new ATOM 638 N ASP A 39 -3.504 5.796 -16.719 1.00 0.00 N ATOM 639 CA ASP A 39 -3.989 6.259 -15.416 1.00 0.00 C ATOM 640 C ASP A 39 -4.810 5.153 -14.784 1.00 0.00 C ATOM 641 O ASP A 39 -5.447 5.332 -13.749 1.00 0.00 O ATOM 642 CB ASP A 39 -4.835 7.552 -15.520 1.00 0.00 C ATOM 643 CG ASP A 39 -6.258 7.341 -15.993 1.00 0.00 C ATOM 644 OD1 ASP A 39 -6.483 7.216 -17.221 1.00 0.00 O ATOM 645 OD2 ASP A 39 -7.193 7.339 -15.139 1.00 0.00 O ATOM 0 H ASP A 39 -4.211 5.353 -17.306 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.123 6.500 -14.799 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.859 8.034 -14.543 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.338 8.241 -16.203 1.00 0.00 H new ATOM 650 N ASN A 40 -4.705 3.980 -15.361 1.00 0.00 N ATOM 651 CA ASN A 40 -5.518 2.847 -14.977 1.00 0.00 C ATOM 652 C ASN A 40 -4.823 2.046 -13.900 1.00 0.00 C ATOM 653 O ASN A 40 -4.486 0.871 -14.090 1.00 0.00 O ATOM 654 CB ASN A 40 -5.811 1.972 -16.203 1.00 0.00 C ATOM 655 CG ASN A 40 -6.536 2.732 -17.292 1.00 0.00 C ATOM 656 OD1 ASN A 40 -5.909 3.375 -18.141 1.00 0.00 O ATOM 657 ND2 ASN A 40 -7.839 2.659 -17.301 1.00 0.00 N ATOM 0 H ASN A 40 -4.049 3.782 -16.116 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.465 3.208 -14.576 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -4.874 1.580 -16.599 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -6.412 1.115 -15.899 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.372 3.142 -18.024 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.325 2.119 -16.585 1.00 0.00 H new ATOM 664 N ILE A 41 -4.623 2.693 -12.762 1.00 0.00 N ATOM 665 CA ILE A 41 -3.935 2.102 -11.616 1.00 0.00 C ATOM 666 C ILE A 41 -4.680 0.879 -11.092 1.00 0.00 C ATOM 667 O ILE A 41 -4.071 -0.068 -10.613 1.00 0.00 O ATOM 668 CB ILE A 41 -3.730 3.135 -10.464 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.022 2.488 -9.255 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.052 3.764 -10.060 1.00 0.00 C ATOM 671 CD1 ILE A 41 -2.777 3.427 -8.100 1.00 0.00 C ATOM 0 H ILE A 41 -4.935 3.651 -12.603 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.953 1.789 -11.969 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.083 3.930 -10.835 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.623 1.649 -8.904 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.066 2.080 -9.585 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.883 4.480 -9.256 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.488 4.277 -10.917 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.735 2.987 -9.717 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.276 2.890 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.149 4.254 -8.430 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.729 3.816 -7.739 1.00 0.00 H new ATOM 683 N LYS A 42 -5.995 0.887 -11.227 1.00 0.00 N ATOM 684 CA LYS A 42 -6.806 -0.219 -10.770 1.00 0.00 C ATOM 685 C LYS A 42 -6.471 -1.489 -11.533 1.00 0.00 C ATOM 686 O LYS A 42 -6.460 -2.585 -10.962 1.00 0.00 O ATOM 687 CB LYS A 42 -8.297 0.104 -10.865 1.00 0.00 C ATOM 688 CG LYS A 42 -8.798 0.488 -12.247 1.00 0.00 C ATOM 689 CD LYS A 42 -10.288 0.715 -12.208 1.00 0.00 C ATOM 690 CE LYS A 42 -10.859 1.050 -13.571 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.332 1.123 -13.527 1.00 0.00 N ATOM 0 H LYS A 42 -6.521 1.651 -11.651 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.574 -0.387 -9.718 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.861 -0.763 -10.522 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.518 0.921 -10.178 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.293 1.391 -12.589 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.560 -0.300 -12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.779 -0.178 -11.822 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.511 1.526 -11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.455 2.002 -13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.551 0.294 -14.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.697 1.354 -14.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.716 0.206 -13.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.623 1.861 -12.854 1.00 0.00 H new ATOM 705 N THR A 43 -6.140 -1.333 -12.791 1.00 0.00 N ATOM 706 CA THR A 43 -5.802 -2.439 -13.613 1.00 0.00 C ATOM 707 C THR A 43 -4.356 -2.854 -13.313 1.00 0.00 C ATOM 708 O THR A 43 -4.022 -4.046 -13.320 1.00 0.00 O ATOM 709 CB THR A 43 -5.970 -2.049 -15.078 1.00 0.00 C ATOM 710 OG1 THR A 43 -7.161 -1.239 -15.191 1.00 0.00 O ATOM 711 CG2 THR A 43 -6.144 -3.291 -15.931 1.00 0.00 C ATOM 0 H THR A 43 -6.101 -0.429 -13.262 1.00 0.00 H new ATOM 0 HA THR A 43 -6.459 -3.284 -13.408 1.00 0.00 H new ATOM 0 HB THR A 43 -5.090 -1.503 -15.418 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.289 -0.974 -16.126 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.263 -3.002 -16.975 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.266 -3.928 -15.829 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.028 -3.837 -15.603 1.00 0.00 H new ATOM 719 N SER A 44 -3.517 -1.858 -12.995 1.00 0.00 N ATOM 720 CA SER A 44 -2.136 -2.086 -12.605 1.00 0.00 C ATOM 721 C SER A 44 -2.095 -2.974 -11.352 1.00 0.00 C ATOM 722 O SER A 44 -1.281 -3.904 -11.258 1.00 0.00 O ATOM 723 CB SER A 44 -1.466 -0.744 -12.329 1.00 0.00 C ATOM 724 OG SER A 44 -1.666 0.139 -13.422 1.00 0.00 O ATOM 0 H SER A 44 -3.786 -0.874 -13.004 1.00 0.00 H new ATOM 0 HA SER A 44 -1.601 -2.592 -13.409 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.875 -0.306 -11.419 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.399 -0.890 -12.161 1.00 0.00 H new ATOM 0 HG SER A 44 -1.301 -0.263 -14.238 1.00 0.00 H new ATOM 730 N ILE A 45 -3.014 -2.688 -10.418 1.00 0.00 N ATOM 731 CA ILE A 45 -3.191 -3.463 -9.191 1.00 0.00 C ATOM 732 C ILE A 45 -3.386 -4.938 -9.533 1.00 0.00 C ATOM 733 O ILE A 45 -2.699 -5.805 -8.996 1.00 0.00 O ATOM 734 CB ILE A 45 -4.443 -2.967 -8.384 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.285 -1.513 -7.900 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.777 -3.890 -7.216 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.118 -1.276 -6.963 1.00 0.00 C ATOM 0 H ILE A 45 -3.660 -1.903 -10.499 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.298 -3.330 -8.581 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.281 -2.995 -9.080 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.171 -0.866 -8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.203 -1.211 -7.397 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.650 -3.507 -6.687 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.991 -4.890 -7.592 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.929 -3.933 -6.533 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.089 -0.225 -6.677 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.237 -1.892 -6.071 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.188 -1.541 -7.466 1.00 0.00 H new ATOM 749 N ILE A 46 -4.286 -5.189 -10.475 1.00 0.00 N ATOM 750 CA ILE A 46 -4.650 -6.537 -10.893 1.00 0.00 C ATOM 751 C ILE A 46 -3.426 -7.371 -11.293 1.00 0.00 C ATOM 752 O ILE A 46 -3.254 -8.482 -10.795 1.00 0.00 O ATOM 753 CB ILE A 46 -5.686 -6.515 -12.058 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.953 -5.760 -11.620 1.00 0.00 C ATOM 755 CG2 ILE A 46 -6.035 -7.939 -12.511 1.00 0.00 C ATOM 756 CD1 ILE A 46 -8.007 -5.619 -12.705 1.00 0.00 C ATOM 0 H ILE A 46 -4.789 -4.456 -10.975 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.110 -7.012 -10.027 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.241 -5.995 -12.906 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.393 -6.278 -10.768 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.668 -4.766 -11.276 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.759 -7.895 -13.324 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.132 -8.443 -12.856 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.462 -8.493 -11.675 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.865 -5.075 -12.310 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.588 -5.073 -13.550 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.325 -6.608 -13.034 1.00 0.00 H new ATOM 768 N TYR A 47 -2.558 -6.820 -12.139 1.00 0.00 N ATOM 769 CA TYR A 47 -1.397 -7.576 -12.631 1.00 0.00 C ATOM 770 C TYR A 47 -0.470 -7.926 -11.485 1.00 0.00 C ATOM 771 O TYR A 47 -0.144 -9.089 -11.265 1.00 0.00 O ATOM 772 CB TYR A 47 -0.567 -6.776 -13.626 1.00 0.00 C ATOM 773 CG TYR A 47 -1.321 -6.038 -14.676 1.00 0.00 C ATOM 774 CD1 TYR A 47 -2.120 -6.681 -15.609 1.00 0.00 C ATOM 775 CD2 TYR A 47 -1.201 -4.678 -14.747 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.778 -5.958 -16.582 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.849 -3.955 -15.696 1.00 0.00 C ATOM 778 CZ TYR A 47 -2.633 -4.587 -16.614 1.00 0.00 C ATOM 779 OH TYR A 47 -3.265 -3.853 -17.574 1.00 0.00 O ATOM 0 H TYR A 47 -2.630 -5.867 -12.497 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.801 -8.466 -13.113 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.035 -6.058 -13.069 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.126 -7.458 -14.119 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.228 -7.755 -15.574 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.575 -4.166 -14.031 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.399 -6.459 -17.310 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.743 -2.881 -15.723 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.056 -2.904 -17.450 1.00 0.00 H new ATOM 789 N VAL A 48 -0.096 -6.902 -10.738 1.00 0.00 N ATOM 790 CA VAL A 48 0.875 -7.011 -9.660 1.00 0.00 C ATOM 791 C VAL A 48 0.410 -7.983 -8.590 1.00 0.00 C ATOM 792 O VAL A 48 1.162 -8.873 -8.164 1.00 0.00 O ATOM 793 CB VAL A 48 1.149 -5.621 -9.038 1.00 0.00 C ATOM 794 CG1 VAL A 48 2.170 -5.702 -7.916 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.621 -4.663 -10.112 1.00 0.00 C ATOM 0 H VAL A 48 -0.462 -5.958 -10.864 1.00 0.00 H new ATOM 0 HA VAL A 48 1.801 -7.398 -10.085 1.00 0.00 H new ATOM 0 HB VAL A 48 0.218 -5.253 -8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.337 -4.707 -7.503 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.798 -6.362 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.109 -6.095 -8.306 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.813 -3.686 -9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.538 -5.044 -10.562 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.852 -4.569 -10.879 1.00 0.00 H new ATOM 805 N TYR A 49 -0.833 -7.854 -8.202 1.00 0.00 N ATOM 806 CA TYR A 49 -1.401 -8.708 -7.188 1.00 0.00 C ATOM 807 C TYR A 49 -1.478 -10.144 -7.666 1.00 0.00 C ATOM 808 O TYR A 49 -1.181 -11.055 -6.919 1.00 0.00 O ATOM 809 CB TYR A 49 -2.767 -8.187 -6.713 1.00 0.00 C ATOM 810 CG TYR A 49 -2.701 -6.923 -5.847 1.00 0.00 C ATOM 811 CD1 TYR A 49 -1.747 -5.932 -6.068 1.00 0.00 C ATOM 812 CD2 TYR A 49 -3.604 -6.723 -4.822 1.00 0.00 C ATOM 813 CE1 TYR A 49 -1.702 -4.795 -5.303 1.00 0.00 C ATOM 814 CE2 TYR A 49 -3.565 -5.581 -4.046 1.00 0.00 C ATOM 815 CZ TYR A 49 -2.610 -4.621 -4.293 1.00 0.00 C ATOM 816 OH TYR A 49 -2.567 -3.484 -3.531 1.00 0.00 O ATOM 0 H TYR A 49 -1.478 -7.158 -8.577 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.737 -8.688 -6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.387 -7.982 -7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.265 -8.974 -6.147 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.026 -6.063 -6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.355 -7.473 -4.623 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.954 -4.040 -5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.281 -5.442 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.344 -2.923 -3.736 1.00 0.00 H new ATOM 826 N SER A 50 -1.789 -10.333 -8.937 1.00 0.00 N ATOM 827 CA SER A 50 -1.877 -11.668 -9.506 1.00 0.00 C ATOM 828 C SER A 50 -0.475 -12.291 -9.681 1.00 0.00 C ATOM 829 O SER A 50 -0.324 -13.507 -9.735 1.00 0.00 O ATOM 830 CB SER A 50 -2.625 -11.627 -10.838 1.00 0.00 C ATOM 831 OG SER A 50 -3.907 -11.014 -10.685 1.00 0.00 O ATOM 0 H SER A 50 -1.985 -9.579 -9.595 1.00 0.00 H new ATOM 0 HA SER A 50 -2.435 -12.299 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.039 -11.074 -11.572 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.745 -12.640 -11.223 1.00 0.00 H new ATOM 0 HG SER A 50 -3.808 -10.039 -10.707 1.00 0.00 H new ATOM 837 N SER A 51 0.535 -11.449 -9.746 1.00 0.00 N ATOM 838 CA SER A 51 1.895 -11.897 -9.931 1.00 0.00 C ATOM 839 C SER A 51 2.574 -12.152 -8.571 1.00 0.00 C ATOM 840 O SER A 51 3.672 -12.702 -8.516 1.00 0.00 O ATOM 841 CB SER A 51 2.679 -10.845 -10.763 1.00 0.00 C ATOM 842 OG SER A 51 4.001 -11.283 -11.116 1.00 0.00 O ATOM 0 H SER A 51 0.434 -10.437 -9.672 1.00 0.00 H new ATOM 0 HA SER A 51 1.891 -12.841 -10.476 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.122 -10.620 -11.672 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.749 -9.918 -10.194 1.00 0.00 H new ATOM 0 HG SER A 51 4.296 -11.973 -10.486 1.00 0.00 H new ATOM 848 N HIS A 52 1.931 -11.746 -7.480 1.00 0.00 N ATOM 849 CA HIS A 52 2.503 -11.916 -6.133 1.00 0.00 C ATOM 850 C HIS A 52 1.397 -12.369 -5.160 1.00 0.00 C ATOM 851 O HIS A 52 1.425 -12.037 -3.968 1.00 0.00 O ATOM 852 CB HIS A 52 3.134 -10.582 -5.626 1.00 0.00 C ATOM 853 CG HIS A 52 4.270 -10.016 -6.472 1.00 0.00 C ATOM 854 ND1 HIS A 52 5.604 -10.320 -6.272 1.00 0.00 N ATOM 855 CD2 HIS A 52 4.250 -9.128 -7.503 1.00 0.00 C ATOM 856 CE1 HIS A 52 6.341 -9.641 -7.140 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.542 -8.919 -7.890 1.00 0.00 N ATOM 0 H HIS A 52 1.015 -11.297 -7.494 1.00 0.00 H new ATOM 0 HA HIS A 52 3.287 -12.672 -6.180 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.346 -9.832 -5.562 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.506 -10.741 -4.614 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.372 -8.672 -7.936 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.418 -9.676 -7.217 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.840 -8.299 -8.643 1.00 0.00 H new ATOM 866 N LEU A 53 0.490 -13.203 -5.679 1.00 0.00 N ATOM 867 CA LEU A 53 -0.741 -13.683 -4.983 1.00 0.00 C ATOM 868 C LEU A 53 -0.536 -14.188 -3.564 1.00 0.00 C ATOM 869 O LEU A 53 -1.376 -13.941 -2.698 1.00 0.00 O ATOM 870 CB LEU A 53 -1.410 -14.791 -5.791 1.00 0.00 C ATOM 871 CG LEU A 53 -2.082 -14.376 -7.084 1.00 0.00 C ATOM 872 CD1 LEU A 53 -2.464 -15.600 -7.887 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.324 -13.541 -6.793 1.00 0.00 C ATOM 0 H LEU A 53 0.581 -13.582 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.368 -12.795 -4.908 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.658 -15.544 -6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.156 -15.271 -5.158 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.381 -13.774 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.946 -15.291 -8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.569 -16.177 -8.118 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.153 -16.215 -7.308 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.795 -13.251 -7.732 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.026 -14.128 -6.201 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.040 -12.647 -6.238 1.00 0.00 H new ATOM 885 N ASP A 54 0.558 -14.877 -3.341 1.00 0.00 N ATOM 886 CA ASP A 54 0.862 -15.513 -2.049 1.00 0.00 C ATOM 887 C ASP A 54 0.790 -14.518 -0.878 1.00 0.00 C ATOM 888 O ASP A 54 0.104 -14.766 0.099 1.00 0.00 O ATOM 889 CB ASP A 54 2.235 -16.201 -2.119 1.00 0.00 C ATOM 890 CG ASP A 54 2.607 -16.982 -0.872 1.00 0.00 C ATOM 891 OD1 ASP A 54 2.010 -18.049 -0.613 1.00 0.00 O ATOM 892 OD2 ASP A 54 3.557 -16.591 -0.170 1.00 0.00 O ATOM 0 H ASP A 54 1.279 -15.022 -4.048 1.00 0.00 H new ATOM 0 HA ASP A 54 0.099 -16.267 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 54 2.246 -16.877 -2.974 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.998 -15.445 -2.301 1.00 0.00 H new ATOM 897 N GLU A 55 1.457 -13.382 -1.009 1.00 0.00 N ATOM 898 CA GLU A 55 1.430 -12.340 0.031 1.00 0.00 C ATOM 899 C GLU A 55 0.071 -11.628 0.013 1.00 0.00 C ATOM 900 O GLU A 55 -0.472 -11.250 1.062 1.00 0.00 O ATOM 901 CB GLU A 55 2.530 -11.320 -0.234 1.00 0.00 C ATOM 902 CG GLU A 55 2.711 -10.220 0.826 1.00 0.00 C ATOM 903 CD GLU A 55 3.335 -10.696 2.118 1.00 0.00 C ATOM 904 OE1 GLU A 55 4.547 -10.938 2.135 1.00 0.00 O ATOM 905 OE2 GLU A 55 2.655 -10.773 3.142 1.00 0.00 O ATOM 0 H GLU A 55 2.027 -13.149 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 55 1.589 -12.805 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.474 -11.855 -0.337 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.329 -10.841 -1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.331 -9.427 0.407 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.738 -9.781 1.046 1.00 0.00 H new ATOM 912 N ILE A 56 -0.476 -11.475 -1.194 1.00 0.00 N ATOM 913 CA ILE A 56 -1.730 -10.755 -1.408 1.00 0.00 C ATOM 914 C ILE A 56 -2.878 -11.403 -0.643 1.00 0.00 C ATOM 915 O ILE A 56 -3.600 -10.732 0.063 1.00 0.00 O ATOM 916 CB ILE A 56 -2.119 -10.651 -2.921 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.012 -9.986 -3.762 1.00 0.00 C ATOM 918 CG2 ILE A 56 -3.444 -9.914 -3.109 1.00 0.00 C ATOM 919 CD1 ILE A 56 -0.547 -8.635 -3.268 1.00 0.00 C ATOM 0 H ILE A 56 -0.062 -11.847 -2.049 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.560 -9.746 -1.031 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.239 -11.673 -3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.153 -10.657 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.373 -9.876 -4.785 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.683 -9.860 -4.171 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.236 -10.450 -2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.360 -8.905 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.232 -8.254 -3.929 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.388 -7.941 -3.261 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.150 -8.734 -2.258 1.00 0.00 H new ATOM 931 N ARG A 57 -3.032 -12.698 -0.787 1.00 0.00 N ATOM 932 CA ARG A 57 -4.114 -13.401 -0.113 1.00 0.00 C ATOM 933 C ARG A 57 -3.801 -13.628 1.360 1.00 0.00 C ATOM 934 O ARG A 57 -4.709 -13.757 2.175 1.00 0.00 O ATOM 935 CB ARG A 57 -4.465 -14.702 -0.828 1.00 0.00 C ATOM 936 CG ARG A 57 -3.331 -15.685 -0.912 1.00 0.00 C ATOM 937 CD ARG A 57 -3.683 -16.851 -1.793 1.00 0.00 C ATOM 938 NE ARG A 57 -2.533 -17.719 -1.980 1.00 0.00 N ATOM 939 CZ ARG A 57 -1.973 -18.017 -3.149 1.00 0.00 C ATOM 940 NH1 ARG A 57 -2.535 -17.621 -4.284 1.00 0.00 N ATOM 941 NH2 ARG A 57 -0.872 -18.744 -3.181 1.00 0.00 N ATOM 0 H ARG A 57 -2.429 -13.289 -1.360 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.997 -12.763 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.301 -15.173 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.804 -14.469 -1.837 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.443 -15.187 -1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.083 -16.043 0.087 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.502 -17.415 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.033 -16.490 -2.760 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.121 -18.135 -1.145 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.402 -17.084 -4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.100 -17.853 -5.177 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.454 -19.075 -2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.439 -18.975 -4.075 1.00 0.00 H new ATOM 955 N LYS A 58 -2.512 -13.653 1.687 1.00 0.00 N ATOM 956 CA LYS A 58 -2.038 -13.798 3.061 1.00 0.00 C ATOM 957 C LYS A 58 -2.562 -12.638 3.905 1.00 0.00 C ATOM 958 O LYS A 58 -3.029 -12.825 5.031 1.00 0.00 O ATOM 959 CB LYS A 58 -0.512 -13.786 3.050 1.00 0.00 C ATOM 960 CG LYS A 58 0.166 -13.773 4.403 1.00 0.00 C ATOM 961 CD LYS A 58 1.625 -13.446 4.211 1.00 0.00 C ATOM 962 CE LYS A 58 2.309 -13.053 5.502 1.00 0.00 C ATOM 963 NZ LYS A 58 3.583 -12.364 5.213 1.00 0.00 N ATOM 0 H LYS A 58 -1.761 -13.573 1.001 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.397 -14.734 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.166 -14.663 2.502 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.180 -12.910 2.492 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.304 -13.035 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.057 -14.742 4.889 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.134 -14.310 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.719 -12.632 3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.658 -12.401 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.496 -13.940 6.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.952 -11.936 6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.273 -13.050 4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.422 -11.620 4.504 1.00 0.00 H new ATOM 977 N ASN A 59 -2.494 -11.451 3.340 1.00 0.00 N ATOM 978 CA ASN A 59 -2.985 -10.253 3.991 1.00 0.00 C ATOM 979 C ASN A 59 -3.946 -9.560 3.072 1.00 0.00 C ATOM 980 O ASN A 59 -3.774 -8.377 2.736 1.00 0.00 O ATOM 981 CB ASN A 59 -1.850 -9.291 4.354 1.00 0.00 C ATOM 982 CG ASN A 59 -0.882 -9.839 5.368 1.00 0.00 C ATOM 983 OD1 ASN A 59 -1.088 -9.715 6.563 1.00 0.00 O ATOM 984 ND2 ASN A 59 0.206 -10.390 4.912 1.00 0.00 N ATOM 0 H ASN A 59 -2.096 -11.288 2.415 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.478 -10.549 4.917 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.303 -9.033 3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.280 -8.367 4.740 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.915 -10.732 5.561 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.349 -10.479 3.906 1.00 0.00 H new ATOM 991 N LYS A 60 -4.979 -10.285 2.677 1.00 0.00 N ATOM 992 CA LYS A 60 -5.953 -9.785 1.706 1.00 0.00 C ATOM 993 C LYS A 60 -6.648 -8.541 2.214 1.00 0.00 C ATOM 994 O LYS A 60 -7.043 -7.700 1.438 1.00 0.00 O ATOM 995 CB LYS A 60 -6.986 -10.857 1.318 1.00 0.00 C ATOM 996 CG LYS A 60 -8.000 -11.181 2.393 1.00 0.00 C ATOM 997 CD LYS A 60 -8.922 -12.297 1.973 1.00 0.00 C ATOM 998 CE LYS A 60 -10.031 -12.525 2.991 1.00 0.00 C ATOM 999 NZ LYS A 60 -9.502 -12.884 4.321 1.00 0.00 N ATOM 0 H LYS A 60 -5.170 -11.229 3.013 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.393 -9.525 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.517 -10.524 0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.457 -11.771 1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.481 -11.463 3.309 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.586 -10.291 2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.361 -12.061 1.004 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.348 -13.215 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.636 -11.622 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -10.689 -13.319 2.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.192 -13.482 4.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.609 -13.405 4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.332 -12.019 4.872 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.760 -8.431 3.532 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.389 -7.289 4.160 1.00 0.00 C ATOM 1015 C GLU A 61 -6.589 -6.039 3.790 1.00 0.00 C ATOM 1016 O GLU A 61 -7.121 -5.069 3.252 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.347 -7.406 5.686 1.00 0.00 C ATOM 1018 CG GLU A 61 -7.384 -8.818 6.286 1.00 0.00 C ATOM 1019 CD GLU A 61 -8.570 -9.659 5.911 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -9.715 -9.265 6.156 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -8.357 -10.780 5.434 1.00 0.00 O ATOM 0 H GLU A 61 -6.417 -9.132 4.189 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.424 -7.238 3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.440 -6.914 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.190 -6.846 6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.479 -9.345 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.353 -8.731 7.372 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.285 -6.123 4.054 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.336 -5.054 3.811 1.00 0.00 C ATOM 1030 C PHE A 62 -4.330 -4.688 2.341 1.00 0.00 C ATOM 1031 O PHE A 62 -4.500 -3.526 1.981 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.929 -5.506 4.267 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.809 -4.517 4.027 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.567 -3.490 4.921 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.991 -4.630 2.908 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.539 -2.596 4.706 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.038 -3.738 2.690 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.263 -2.720 3.587 1.00 0.00 C ATOM 0 H PHE A 62 -4.856 -6.959 4.452 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.626 -4.171 4.380 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.968 -5.730 5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.683 -6.436 3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.190 -3.387 5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.164 -5.427 2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.361 -1.799 5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.666 -3.839 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.066 -2.018 3.417 1.00 0.00 H new ATOM 1048 N TYR A 63 -4.193 -5.692 1.508 1.00 0.00 N ATOM 1049 CA TYR A 63 -4.103 -5.496 0.084 1.00 0.00 C ATOM 1050 C TYR A 63 -5.390 -5.017 -0.561 1.00 0.00 C ATOM 1051 O TYR A 63 -5.347 -4.273 -1.536 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.494 -6.705 -0.616 1.00 0.00 C ATOM 1053 CG TYR A 63 -2.015 -6.828 -0.331 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -1.104 -6.001 -0.980 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.528 -7.739 0.589 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.248 -6.082 -0.721 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.179 -7.828 0.852 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.704 -6.995 0.195 1.00 0.00 C ATOM 1059 OH TYR A 63 2.049 -7.081 0.456 1.00 0.00 O ATOM 0 H TYR A 63 -4.141 -6.668 1.800 1.00 0.00 H new ATOM 0 HA TYR A 63 -3.411 -4.666 -0.057 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -4.004 -7.611 -0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.652 -6.621 -1.691 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -1.463 -5.281 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.216 -8.390 1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.941 -5.432 -1.235 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.187 -8.547 1.570 1.00 0.00 H new ATOM 0 HH TYR A 63 2.549 -6.613 -0.245 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.532 -5.389 -0.013 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.794 -4.926 -0.592 1.00 0.00 C ATOM 1071 C ASP A 64 -8.003 -3.469 -0.226 1.00 0.00 C ATOM 1072 O ASP A 64 -8.485 -2.654 -1.039 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.981 -5.761 -0.109 1.00 0.00 C ATOM 1074 CG ASP A 64 -10.253 -5.467 -0.883 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -11.035 -4.563 -0.487 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.501 -6.139 -1.912 1.00 0.00 O ATOM 0 H ASP A 64 -6.620 -5.991 0.806 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.735 -5.038 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.739 -6.819 -0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -9.151 -5.566 0.950 1.00 0.00 H new ATOM 1081 N MET A 65 -7.620 -3.133 0.997 1.00 0.00 N ATOM 1082 CA MET A 65 -7.723 -1.778 1.482 1.00 0.00 C ATOM 1083 C MET A 65 -6.743 -0.849 0.794 1.00 0.00 C ATOM 1084 O MET A 65 -7.149 0.205 0.308 1.00 0.00 O ATOM 1085 CB MET A 65 -7.608 -1.701 3.004 1.00 0.00 C ATOM 1086 CG MET A 65 -8.789 -2.339 3.712 1.00 0.00 C ATOM 1087 SD MET A 65 -8.771 -2.134 5.515 1.00 0.00 S ATOM 1088 CE MET A 65 -7.360 -3.129 5.971 1.00 0.00 C ATOM 0 H MET A 65 -7.232 -3.792 1.672 1.00 0.00 H new ATOM 0 HA MET A 65 -8.723 -1.430 1.223 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.689 -2.195 3.321 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.529 -0.657 3.306 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.710 -1.910 3.318 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.807 -3.403 3.478 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.818 -2.642 6.782 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.699 -4.112 6.300 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.701 -3.242 5.110 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.466 -1.243 0.694 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.498 -0.374 0.034 1.00 0.00 C ATOM 1100 C ILE A 66 -4.828 -0.184 -1.426 1.00 0.00 C ATOM 1101 O ILE A 66 -4.715 0.903 -1.913 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.994 -0.767 0.183 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.692 -2.140 -0.392 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.555 -0.692 1.628 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -1.212 -2.428 -0.507 1.00 0.00 C ATOM 0 H ILE A 66 -5.094 -2.124 1.048 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.603 0.564 0.580 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.423 -0.041 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.155 -2.900 0.238 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.149 -2.222 -1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.504 -0.971 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.688 0.325 1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.156 -1.377 2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.067 -3.424 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.747 -1.689 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.754 -2.378 0.481 1.00 0.00 H new ATOM 1117 N ALA A 67 -5.289 -1.246 -2.106 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.666 -1.158 -3.527 1.00 0.00 C ATOM 1119 C ALA A 67 -6.683 -0.045 -3.754 1.00 0.00 C ATOM 1120 O ALA A 67 -6.600 0.695 -4.730 1.00 0.00 O ATOM 1121 CB ALA A 67 -6.231 -2.483 -4.017 1.00 0.00 C ATOM 0 H ALA A 67 -5.410 -2.173 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.765 -0.927 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.503 -2.396 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.480 -3.264 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.115 -2.739 -3.434 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.609 0.071 -2.825 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.641 1.085 -2.853 1.00 0.00 C ATOM 1129 C GLU A 68 -8.001 2.474 -2.633 1.00 0.00 C ATOM 1130 O GLU A 68 -8.125 3.382 -3.470 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.629 0.782 -1.722 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.838 1.679 -1.665 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.793 1.446 -2.804 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -11.659 2.083 -3.853 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -12.716 0.606 -2.651 1.00 0.00 O ATOM 0 H GLU A 68 -7.666 -0.547 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.156 1.084 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.967 -0.249 -1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.100 0.852 -0.771 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.359 1.518 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.513 2.719 -1.677 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.278 2.592 -1.521 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.616 3.834 -1.103 1.00 0.00 C ATOM 1144 C ILE A 69 -5.634 4.338 -2.161 1.00 0.00 C ATOM 1145 O ILE A 69 -5.571 5.532 -2.426 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.866 3.628 0.235 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.847 3.186 1.313 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -5.136 4.907 0.675 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.178 2.778 2.585 1.00 0.00 C ATOM 0 H ILE A 69 -7.131 1.818 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.396 4.584 -0.974 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.115 2.852 0.086 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.541 4.001 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.438 2.351 0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.620 4.726 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.410 5.192 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.859 5.712 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.932 2.474 3.311 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.505 1.943 2.390 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.609 3.618 2.982 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.884 3.424 -2.759 1.00 0.00 N ATOM 1162 CA LEU A 70 -3.919 3.757 -3.798 1.00 0.00 C ATOM 1163 C LEU A 70 -4.584 4.490 -4.946 1.00 0.00 C ATOM 1164 O LEU A 70 -4.118 5.535 -5.349 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.185 2.503 -4.304 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.266 1.799 -3.291 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.772 0.478 -3.840 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -1.089 2.684 -2.924 1.00 0.00 C ATOM 0 H LEU A 70 -4.927 2.429 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.178 4.422 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.930 1.785 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.588 2.782 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.849 1.605 -2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.124 -0.001 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.623 -0.170 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.213 0.652 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.453 2.165 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.513 2.913 -3.820 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.455 3.610 -2.481 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.704 3.969 -5.422 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.421 4.598 -6.535 1.00 0.00 C ATOM 1182 C GLN A 71 -6.943 5.964 -6.104 1.00 0.00 C ATOM 1183 O GLN A 71 -6.703 6.991 -6.759 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.599 3.728 -6.957 1.00 0.00 C ATOM 1185 CG GLN A 71 -7.229 2.298 -7.268 1.00 0.00 C ATOM 1186 CD GLN A 71 -8.421 1.461 -7.652 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -9.388 1.956 -8.240 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.386 0.202 -7.297 1.00 0.00 N ATOM 0 H GLN A 71 -6.139 3.119 -5.063 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.734 4.712 -7.374 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.345 3.734 -6.162 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.067 4.170 -7.836 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.503 2.283 -8.080 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.744 1.855 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.568 -0.169 -6.813 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.176 -0.409 -7.505 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.603 5.950 -4.968 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.233 7.078 -4.374 1.00 0.00 C ATOM 1199 C ARG A 72 -7.239 8.227 -4.115 1.00 0.00 C ATOM 1200 O ARG A 72 -7.443 9.357 -4.572 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.849 6.569 -3.087 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.608 7.559 -2.276 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.226 6.861 -1.089 1.00 0.00 C ATOM 1204 NE ARG A 72 -11.230 5.872 -1.495 1.00 0.00 N ATOM 1205 CZ ARG A 72 -11.871 5.028 -0.681 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -11.518 4.901 0.599 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.848 4.269 -1.169 1.00 0.00 N ATOM 0 H ARG A 72 -7.713 5.100 -4.415 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.987 7.502 -5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.518 5.744 -3.332 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.052 6.159 -2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.945 8.356 -1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.384 8.025 -2.883 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.444 6.368 -0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.689 7.600 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.460 5.824 -2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.746 5.454 0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.020 4.251 1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -13.101 4.335 -2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.344 3.621 -0.557 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.158 7.932 -3.438 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.206 8.947 -3.070 1.00 0.00 C ATOM 1223 C TYR A 73 -4.207 9.291 -4.143 1.00 0.00 C ATOM 1224 O TYR A 73 -3.606 10.367 -4.093 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.548 8.679 -1.716 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.457 9.019 -0.567 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.565 8.243 -0.271 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.239 10.163 0.185 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.420 8.589 0.744 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.098 10.522 1.194 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.185 9.731 1.472 1.00 0.00 C ATOM 1232 OH TYR A 73 -8.065 10.113 2.446 1.00 0.00 O ATOM 0 H TYR A 73 -5.915 6.991 -3.129 1.00 0.00 H new ATOM 0 HA TYR A 73 -5.805 9.850 -2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.263 7.629 -1.654 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.631 9.263 -1.637 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.759 7.351 -0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.379 10.782 -0.026 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.274 7.967 0.970 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.920 11.421 1.765 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.906 9.621 2.339 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.009 8.427 -5.114 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.121 8.774 -6.211 1.00 0.00 C ATOM 1244 C TYR A 74 -3.740 9.912 -7.039 1.00 0.00 C ATOM 1245 O TYR A 74 -3.040 10.773 -7.566 1.00 0.00 O ATOM 1246 CB TYR A 74 -2.728 7.537 -7.060 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.069 7.626 -8.519 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -2.230 8.270 -9.421 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -4.248 7.098 -8.987 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -2.572 8.371 -10.743 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -4.595 7.203 -10.298 1.00 0.00 C ATOM 1252 CZ TYR A 74 -3.761 7.836 -11.172 1.00 0.00 C ATOM 1253 OH TYR A 74 -4.140 7.965 -12.472 1.00 0.00 O ATOM 0 H TYR A 74 -4.436 7.502 -5.172 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.180 9.141 -5.801 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -1.654 7.377 -6.964 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.220 6.659 -6.642 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -1.299 8.695 -9.076 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.911 6.591 -8.302 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.913 8.866 -11.441 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.529 6.786 -10.646 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.453 7.100 -12.809 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.052 9.907 -7.149 1.00 0.00 N ATOM 1264 CA LYS A 75 -5.737 10.996 -7.799 1.00 0.00 C ATOM 1265 C LYS A 75 -5.941 12.203 -6.867 1.00 0.00 C ATOM 1266 O LYS A 75 -6.227 13.303 -7.321 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.013 10.559 -8.557 1.00 0.00 C ATOM 1268 CG LYS A 75 -6.718 9.902 -9.933 1.00 0.00 C ATOM 1269 CD LYS A 75 -7.999 9.524 -10.685 1.00 0.00 C ATOM 1270 CE LYS A 75 -7.756 9.143 -12.174 1.00 0.00 C ATOM 1271 NZ LYS A 75 -6.952 7.902 -12.393 1.00 0.00 N ATOM 0 H LYS A 75 -5.659 9.166 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.069 11.347 -8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.571 9.856 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.653 11.428 -8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.131 10.589 -10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.110 9.009 -9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.475 8.685 -10.177 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.696 10.361 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.722 9.021 -12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.252 9.974 -12.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.042 7.601 -13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.953 8.094 -12.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.301 7.147 -11.769 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.800 11.990 -5.560 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.914 13.096 -4.601 1.00 0.00 C ATOM 1287 C LYS A 76 -4.560 13.818 -4.402 1.00 0.00 C ATOM 1288 O LYS A 76 -4.481 15.047 -4.526 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.481 12.629 -3.234 1.00 0.00 C ATOM 1290 CG LYS A 76 -6.539 13.755 -2.188 1.00 0.00 C ATOM 1291 CD LYS A 76 -7.036 13.297 -0.811 1.00 0.00 C ATOM 1292 CE LYS A 76 -8.544 13.070 -0.762 1.00 0.00 C ATOM 1293 NZ LYS A 76 -9.003 12.682 0.601 1.00 0.00 N ATOM 0 H LYS A 76 -5.610 11.079 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.622 13.804 -5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.483 12.226 -3.382 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -5.864 11.816 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.545 14.188 -2.079 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.193 14.546 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -6.527 12.373 -0.537 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.763 14.045 -0.066 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.058 13.979 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.817 12.290 -1.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.043 12.685 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.653 11.729 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.634 13.360 1.298 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.502 13.069 -4.115 1.00 0.00 N ATOM 1308 CA ILE A 77 -2.193 13.680 -3.856 1.00 0.00 C ATOM 1309 C ILE A 77 -1.108 13.189 -4.820 1.00 0.00 C ATOM 1310 O ILE A 77 -0.189 13.935 -5.146 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.709 13.470 -2.381 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.669 11.968 -2.018 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.582 14.253 -1.402 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.142 11.664 -0.629 1.00 0.00 C ATOM 0 H ILE A 77 -3.517 12.051 -4.055 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.346 14.746 -4.022 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.693 13.857 -2.303 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.676 11.560 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.049 11.448 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.225 14.090 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.531 15.316 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.614 13.913 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.151 10.587 -0.464 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.122 12.037 -0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.774 12.150 0.114 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.219 11.966 -5.287 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.234 11.437 -6.223 1.00 0.00 C ATOM 1328 C GLY A 78 0.296 10.102 -5.762 1.00 0.00 C ATOM 1329 O GLY A 78 0.575 9.935 -4.569 1.00 0.00 O ATOM 0 H GLY A 78 -1.969 11.320 -5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.686 11.331 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.590 12.143 -6.325 1.00 0.00 H new ATOM 1333 N ILE A 79 0.464 9.166 -6.695 1.00 0.00 N ATOM 1334 CA ILE A 79 0.863 7.785 -6.381 1.00 0.00 C ATOM 1335 C ILE A 79 2.207 7.726 -5.635 1.00 0.00 C ATOM 1336 O ILE A 79 2.347 6.969 -4.675 1.00 0.00 O ATOM 1337 CB ILE A 79 0.873 6.843 -7.659 1.00 0.00 C ATOM 1338 CG1 ILE A 79 1.163 5.386 -7.293 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.862 7.301 -8.713 1.00 0.00 C ATOM 1340 CD1 ILE A 79 0.121 4.741 -6.417 1.00 0.00 C ATOM 0 H ILE A 79 0.329 9.338 -7.691 1.00 0.00 H new ATOM 0 HA ILE A 79 0.096 7.399 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.131 6.911 -8.078 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.257 4.806 -8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.126 5.337 -6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.827 6.621 -9.564 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.603 8.308 -9.042 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.867 7.304 -8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.408 3.710 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.041 5.292 -5.480 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.842 4.753 -6.928 1.00 0.00 H new ATOM 1352 N GLU A 80 3.150 8.578 -6.037 1.00 0.00 N ATOM 1353 CA GLU A 80 4.479 8.625 -5.433 1.00 0.00 C ATOM 1354 C GLU A 80 4.379 8.896 -3.938 1.00 0.00 C ATOM 1355 O GLU A 80 5.067 8.272 -3.118 1.00 0.00 O ATOM 1356 CB GLU A 80 5.347 9.716 -6.069 1.00 0.00 C ATOM 1357 CG GLU A 80 5.436 9.688 -7.592 1.00 0.00 C ATOM 1358 CD GLU A 80 4.359 10.528 -8.247 1.00 0.00 C ATOM 1359 OE1 GLU A 80 3.195 10.119 -8.278 1.00 0.00 O ATOM 1360 OE2 GLU A 80 4.669 11.649 -8.718 1.00 0.00 O ATOM 0 H GLU A 80 3.013 9.253 -6.789 1.00 0.00 H new ATOM 0 HA GLU A 80 4.942 7.654 -5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.958 10.688 -5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.355 9.635 -5.663 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.416 10.051 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.352 8.658 -7.940 1.00 0.00 H new ATOM 1367 N ASN A 81 3.528 9.833 -3.605 1.00 0.00 N ATOM 1368 CA ASN A 81 3.278 10.210 -2.218 1.00 0.00 C ATOM 1369 C ASN A 81 2.594 9.090 -1.456 1.00 0.00 C ATOM 1370 O ASN A 81 3.023 8.729 -0.363 1.00 0.00 O ATOM 1371 CB ASN A 81 2.449 11.509 -2.110 1.00 0.00 C ATOM 1372 CG ASN A 81 3.251 12.773 -2.377 1.00 0.00 C ATOM 1373 OD1 ASN A 81 3.857 13.346 -1.463 1.00 0.00 O ATOM 1374 ND2 ASN A 81 3.241 13.249 -3.598 1.00 0.00 N ATOM 0 H ASN A 81 2.982 10.364 -4.284 1.00 0.00 H new ATOM 0 HA ASN A 81 4.252 10.396 -1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.620 11.460 -2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.014 11.570 -1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 81 3.741 14.112 -3.813 1.00 0.00 H new ATOM 0 HD22 ASN A 81 2.733 12.757 -4.333 1.00 0.00 H new ATOM 1381 N VAL A 82 1.561 8.514 -2.057 1.00 0.00 N ATOM 1382 CA VAL A 82 0.767 7.467 -1.402 1.00 0.00 C ATOM 1383 C VAL A 82 1.620 6.247 -1.089 1.00 0.00 C ATOM 1384 O VAL A 82 1.605 5.754 0.037 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.445 7.023 -2.256 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.343 6.068 -1.476 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.230 8.217 -2.716 1.00 0.00 C ATOM 0 H VAL A 82 1.248 8.750 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 82 0.395 7.906 -0.476 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.065 6.496 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.187 5.771 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.773 5.183 -1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.711 6.566 -0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.078 7.886 -3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.592 8.771 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.591 8.863 -3.318 1.00 0.00 H new ATOM 1397 N ASN A 83 2.387 5.801 -2.075 1.00 0.00 N ATOM 1398 CA ASN A 83 3.251 4.621 -1.930 1.00 0.00 C ATOM 1399 C ASN A 83 4.213 4.783 -0.779 1.00 0.00 C ATOM 1400 O ASN A 83 4.418 3.863 0.019 1.00 0.00 O ATOM 1401 CB ASN A 83 4.038 4.316 -3.216 1.00 0.00 C ATOM 1402 CG ASN A 83 3.170 3.814 -4.353 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.117 3.242 -4.140 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.630 3.976 -5.559 1.00 0.00 N ATOM 0 H ASN A 83 2.433 6.239 -2.995 1.00 0.00 H new ATOM 0 HA ASN A 83 2.588 3.780 -1.727 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.557 5.219 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.802 3.570 -2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.105 3.619 -6.357 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.516 4.460 -5.706 1.00 0.00 H new ATOM 1411 N GLN A 84 4.770 5.968 -0.667 1.00 0.00 N ATOM 1412 CA GLN A 84 5.697 6.280 0.396 1.00 0.00 C ATOM 1413 C GLN A 84 4.944 6.186 1.736 1.00 0.00 C ATOM 1414 O GLN A 84 5.382 5.510 2.660 1.00 0.00 O ATOM 1415 CB GLN A 84 6.282 7.699 0.164 1.00 0.00 C ATOM 1416 CG GLN A 84 7.547 8.081 0.969 1.00 0.00 C ATOM 1417 CD GLN A 84 7.354 8.119 2.471 1.00 0.00 C ATOM 1418 OE1 GLN A 84 6.980 9.148 3.041 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.663 7.035 3.127 1.00 0.00 N ATOM 0 H GLN A 84 4.593 6.741 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 84 6.529 5.577 0.413 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.513 7.800 -0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.504 8.427 0.392 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.338 7.368 0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.891 9.060 0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.968 6.203 2.622 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.599 7.019 4.145 1.00 0.00 H new ATOM 1428 N LEU A 85 3.782 6.797 1.794 1.00 0.00 N ATOM 1429 CA LEU A 85 2.974 6.828 3.010 1.00 0.00 C ATOM 1430 C LEU A 85 2.525 5.424 3.451 1.00 0.00 C ATOM 1431 O LEU A 85 2.356 5.165 4.650 1.00 0.00 O ATOM 1432 CB LEU A 85 1.790 7.772 2.835 1.00 0.00 C ATOM 1433 CG LEU A 85 2.167 9.232 2.554 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.944 10.059 2.247 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.940 9.831 3.727 1.00 0.00 C ATOM 0 H LEU A 85 3.364 7.289 1.004 1.00 0.00 H new ATOM 0 HA LEU A 85 3.601 7.211 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.171 7.407 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.179 7.736 3.737 1.00 0.00 H new ATOM 0 HG LEU A 85 2.813 9.245 1.676 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.241 11.089 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.442 9.654 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.264 10.033 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.196 10.867 3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.323 9.795 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.853 9.259 3.891 1.00 0.00 H new ATOM 1447 N ILE A 86 2.357 4.518 2.498 1.00 0.00 N ATOM 1448 CA ILE A 86 2.038 3.125 2.809 1.00 0.00 C ATOM 1449 C ILE A 86 3.221 2.503 3.561 1.00 0.00 C ATOM 1450 O ILE A 86 3.044 1.829 4.585 1.00 0.00 O ATOM 1451 CB ILE A 86 1.724 2.287 1.523 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.520 2.872 0.753 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.476 0.813 1.860 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -0.778 2.942 1.546 1.00 0.00 C ATOM 0 H ILE A 86 2.436 4.719 1.501 1.00 0.00 H new ATOM 0 HA ILE A 86 1.140 3.111 3.427 1.00 0.00 H new ATOM 0 HB ILE A 86 2.603 2.344 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.777 3.876 0.416 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.351 2.269 -0.139 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.261 0.262 0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.363 0.394 2.336 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.627 0.733 2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.564 3.366 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.066 1.939 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.634 3.571 2.425 1.00 0.00 H new ATOM 1466 N LEU A 87 4.427 2.807 3.093 1.00 0.00 N ATOM 1467 CA LEU A 87 5.657 2.331 3.717 1.00 0.00 C ATOM 1468 C LEU A 87 5.784 2.909 5.126 1.00 0.00 C ATOM 1469 O LEU A 87 6.208 2.227 6.063 1.00 0.00 O ATOM 1470 CB LEU A 87 6.876 2.715 2.865 1.00 0.00 C ATOM 1471 CG LEU A 87 6.893 2.171 1.430 1.00 0.00 C ATOM 1472 CD1 LEU A 87 8.140 2.623 0.695 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.797 0.656 1.425 1.00 0.00 C ATOM 0 H LEU A 87 4.580 3.390 2.270 1.00 0.00 H new ATOM 0 HA LEU A 87 5.619 1.244 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.935 3.802 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.775 2.367 3.375 1.00 0.00 H new ATOM 0 HG LEU A 87 6.023 2.573 0.910 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.129 2.225 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.165 3.712 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.023 2.258 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.811 0.294 0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.643 0.236 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.868 0.349 1.905 1.00 0.00 H new ATOM 1485 N THR A 88 5.392 4.159 5.263 1.00 0.00 N ATOM 1486 CA THR A 88 5.357 4.843 6.540 1.00 0.00 C ATOM 1487 C THR A 88 4.380 4.142 7.525 1.00 0.00 C ATOM 1488 O THR A 88 4.635 4.075 8.727 1.00 0.00 O ATOM 1489 CB THR A 88 4.966 6.330 6.333 1.00 0.00 C ATOM 1490 OG1 THR A 88 5.934 6.950 5.468 1.00 0.00 O ATOM 1491 CG2 THR A 88 4.905 7.096 7.652 1.00 0.00 C ATOM 0 H THR A 88 5.085 4.736 4.480 1.00 0.00 H new ATOM 0 HA THR A 88 6.352 4.802 6.983 1.00 0.00 H new ATOM 0 HB THR A 88 3.972 6.359 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.694 7.890 5.330 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.628 8.132 7.458 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.162 6.638 8.305 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.881 7.066 8.136 1.00 0.00 H new ATOM 1499 N THR A 89 3.308 3.591 7.001 1.00 0.00 N ATOM 1500 CA THR A 89 2.303 2.941 7.817 1.00 0.00 C ATOM 1501 C THR A 89 2.799 1.583 8.344 1.00 0.00 C ATOM 1502 O THR A 89 2.601 1.253 9.523 1.00 0.00 O ATOM 1503 CB THR A 89 0.979 2.795 7.021 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.659 4.080 6.466 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.177 2.368 7.928 1.00 0.00 C ATOM 0 H THR A 89 3.107 3.580 6.001 1.00 0.00 H new ATOM 0 HA THR A 89 2.110 3.567 8.688 1.00 0.00 H new ATOM 0 HB THR A 89 1.113 2.035 6.251 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.313 4.309 5.773 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.088 2.276 7.337 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.057 1.407 8.387 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.324 3.116 8.707 1.00 0.00 H new ATOM 1513 N ILE A 90 3.494 0.844 7.501 1.00 0.00 N ATOM 1514 CA ILE A 90 3.963 -0.479 7.881 1.00 0.00 C ATOM 1515 C ILE A 90 5.307 -0.456 8.625 1.00 0.00 C ATOM 1516 O ILE A 90 5.487 -1.145 9.626 1.00 0.00 O ATOM 1517 CB ILE A 90 4.056 -1.453 6.661 1.00 0.00 C ATOM 1518 CG1 ILE A 90 4.988 -0.896 5.569 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.672 -1.716 6.091 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.240 -1.843 4.419 1.00 0.00 C ATOM 0 H ILE A 90 3.746 1.132 6.555 1.00 0.00 H new ATOM 0 HA ILE A 90 3.206 -0.853 8.570 1.00 0.00 H new ATOM 0 HB ILE A 90 4.479 -2.394 7.014 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.558 0.026 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.943 -0.634 6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.751 -2.395 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.042 -2.166 6.858 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.229 -0.776 5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.906 -1.370 3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.702 -2.756 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.294 -2.087 3.935 1.00 0.00 H new ATOM 1532 N LYS A 91 6.230 0.350 8.158 1.00 0.00 N ATOM 1533 CA LYS A 91 7.579 0.323 8.676 1.00 0.00 C ATOM 1534 C LYS A 91 7.851 1.420 9.690 1.00 0.00 C ATOM 1535 O LYS A 91 8.528 1.186 10.701 1.00 0.00 O ATOM 1536 CB LYS A 91 8.564 0.440 7.520 1.00 0.00 C ATOM 1537 CG LYS A 91 10.012 0.361 7.939 1.00 0.00 C ATOM 1538 CD LYS A 91 10.926 0.549 6.760 1.00 0.00 C ATOM 1539 CE LYS A 91 12.370 0.502 7.197 1.00 0.00 C ATOM 1540 NZ LYS A 91 13.301 0.767 6.081 1.00 0.00 N ATOM 0 H LYS A 91 6.072 1.035 7.419 1.00 0.00 H new ATOM 0 HA LYS A 91 7.704 -0.626 9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.360 -0.353 6.801 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.396 1.387 7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.219 1.124 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.207 -0.605 8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.739 -0.229 6.020 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.717 1.504 6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.533 1.236 7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.587 -0.477 7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 14.280 0.724 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.165 0.051 5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 13.113 1.712 5.689 1.00 0.00 H new ATOM 1554 N LEU A 92 7.333 2.597 9.446 1.00 0.00 N ATOM 1555 CA LEU A 92 7.679 3.720 10.274 1.00 0.00 C ATOM 1556 C LEU A 92 6.832 3.786 11.535 1.00 0.00 C ATOM 1557 O LEU A 92 5.602 3.857 11.500 1.00 0.00 O ATOM 1558 CB LEU A 92 7.690 5.042 9.462 1.00 0.00 C ATOM 1559 CG LEU A 92 8.241 6.316 10.161 1.00 0.00 C ATOM 1560 CD1 LEU A 92 8.651 7.334 9.117 1.00 0.00 C ATOM 1561 CD2 LEU A 92 7.198 6.954 11.081 1.00 0.00 C ATOM 0 H LEU A 92 6.679 2.800 8.690 1.00 0.00 H new ATOM 0 HA LEU A 92 8.701 3.572 10.623 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.276 4.875 8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.668 5.249 9.145 1.00 0.00 H new ATOM 0 HG LEU A 92 9.098 6.014 10.763 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.037 8.226 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 92 9.425 6.909 8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.786 7.601 8.510 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.622 7.842 11.551 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.322 7.236 10.497 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.907 6.240 11.851 1.00 0.00 H new ATOM 1573 N GLU A 93 7.517 3.740 12.624 1.00 0.00 N ATOM 1574 CA GLU A 93 6.966 3.832 13.945 1.00 0.00 C ATOM 1575 C GLU A 93 8.057 4.498 14.787 1.00 0.00 C ATOM 1576 O GLU A 93 8.769 5.345 14.265 1.00 0.00 O ATOM 1577 CB GLU A 93 6.588 2.417 14.450 1.00 0.00 C ATOM 1578 CG GLU A 93 7.722 1.408 14.477 1.00 0.00 C ATOM 1579 CD GLU A 93 7.296 0.078 15.040 1.00 0.00 C ATOM 1580 OE1 GLU A 93 6.620 0.057 16.085 1.00 0.00 O ATOM 1581 OE2 GLU A 93 7.672 -0.974 14.479 1.00 0.00 O ATOM 0 H GLU A 93 8.531 3.632 12.625 1.00 0.00 H new ATOM 0 HA GLU A 93 6.047 4.416 13.993 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.181 2.507 15.457 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.791 2.025 13.817 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.102 1.266 13.465 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.544 1.805 15.073 1.00 0.00 H new ATOM 1588 N HIS A 94 8.216 4.150 16.029 1.00 0.00 N ATOM 1589 CA HIS A 94 9.309 4.711 16.833 1.00 0.00 C ATOM 1590 C HIS A 94 10.469 3.719 16.902 1.00 0.00 C ATOM 1591 O HIS A 94 11.320 3.806 17.784 1.00 0.00 O ATOM 1592 CB HIS A 94 8.838 5.060 18.250 1.00 0.00 C ATOM 1593 CG HIS A 94 7.879 6.205 18.329 1.00 0.00 C ATOM 1594 ND1 HIS A 94 6.522 6.043 18.462 1.00 0.00 N ATOM 1595 CD2 HIS A 94 8.093 7.537 18.321 1.00 0.00 C ATOM 1596 CE1 HIS A 94 5.945 7.218 18.535 1.00 0.00 C ATOM 1597 NE2 HIS A 94 6.875 8.142 18.452 1.00 0.00 N ATOM 0 H HIS A 94 7.618 3.487 16.522 1.00 0.00 H new ATOM 0 HA HIS A 94 9.643 5.630 16.351 1.00 0.00 H new ATOM 0 HB2 HIS A 94 8.368 4.180 18.688 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.710 5.293 18.861 1.00 0.00 H new ATOM 0 HD2 HIS A 94 9.048 8.032 18.228 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.885 7.396 18.645 1.00 0.00 H new ATOM 0 HE2 HIS A 94 6.714 9.149 18.481 1.00 0.00 H new ATOM 1606 N HIS A 95 10.516 2.812 15.927 1.00 0.00 N ATOM 1607 CA HIS A 95 11.505 1.731 15.893 1.00 0.00 C ATOM 1608 C HIS A 95 12.911 2.287 15.682 1.00 0.00 C ATOM 1609 O HIS A 95 13.821 2.010 16.475 1.00 0.00 O ATOM 1610 CB HIS A 95 11.169 0.715 14.799 1.00 0.00 C ATOM 1611 CG HIS A 95 11.267 -0.713 15.252 1.00 0.00 C ATOM 1612 ND1 HIS A 95 10.204 -1.592 15.200 1.00 0.00 N ATOM 1613 CD2 HIS A 95 12.304 -1.418 15.751 1.00 0.00 C ATOM 1614 CE1 HIS A 95 10.584 -2.763 15.647 1.00 0.00 C ATOM 1615 NE2 HIS A 95 11.851 -2.684 15.987 1.00 0.00 N ATOM 0 H HIS A 95 9.870 2.804 15.138 1.00 0.00 H new ATOM 0 HA HIS A 95 11.474 1.223 16.857 1.00 0.00 H new ATOM 0 HB2 HIS A 95 10.158 0.904 14.438 1.00 0.00 H new ATOM 0 HB3 HIS A 95 11.842 0.866 13.955 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.268 -1.365 14.865 1.00 0.00 H new ATOM 0 HD2 HIS A 95 13.304 -1.050 15.930 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.962 -3.643 15.723 1.00 0.00 H new ATOM 1624 N HIS A 96 13.100 3.061 14.625 1.00 0.00 N ATOM 1625 CA HIS A 96 14.373 3.707 14.425 1.00 0.00 C ATOM 1626 C HIS A 96 14.283 5.081 15.040 1.00 0.00 C ATOM 1627 O HIS A 96 13.735 6.018 14.468 1.00 0.00 O ATOM 1628 CB HIS A 96 14.900 3.688 12.938 1.00 0.00 C ATOM 1629 CG HIS A 96 14.106 4.426 11.875 1.00 0.00 C ATOM 1630 ND1 HIS A 96 13.141 3.824 11.098 1.00 0.00 N ATOM 1631 CD2 HIS A 96 14.200 5.697 11.421 1.00 0.00 C ATOM 1632 CE1 HIS A 96 12.683 4.688 10.218 1.00 0.00 C ATOM 1633 NE2 HIS A 96 13.306 5.830 10.388 1.00 0.00 N ATOM 0 H HIS A 96 12.399 3.251 13.909 1.00 0.00 H new ATOM 0 HA HIS A 96 15.149 3.132 14.930 1.00 0.00 H new ATOM 0 HB2 HIS A 96 15.910 4.097 12.940 1.00 0.00 H new ATOM 0 HB3 HIS A 96 14.979 2.646 12.628 1.00 0.00 H new ATOM 0 HD2 HIS A 96 14.857 6.465 11.801 1.00 0.00 H new ATOM 0 HE1 HIS A 96 11.921 4.490 9.479 1.00 0.00 H new ATOM 0 HE2 HIS A 96 13.151 6.678 9.842 1.00 0.00 H new ATOM 1642 N HIS A 97 14.778 5.158 16.248 1.00 0.00 N ATOM 1643 CA HIS A 97 14.635 6.320 17.105 1.00 0.00 C ATOM 1644 C HIS A 97 15.513 7.467 16.608 1.00 0.00 C ATOM 1645 O HIS A 97 15.346 8.609 17.013 1.00 0.00 O ATOM 1646 CB HIS A 97 14.996 5.914 18.547 1.00 0.00 C ATOM 1647 CG HIS A 97 14.540 6.855 19.632 1.00 0.00 C ATOM 1648 ND1 HIS A 97 13.500 6.559 20.483 1.00 0.00 N ATOM 1649 CD2 HIS A 97 15.009 8.055 20.032 1.00 0.00 C ATOM 1650 CE1 HIS A 97 13.353 7.531 21.348 1.00 0.00 C ATOM 1651 NE2 HIS A 97 14.254 8.446 21.097 1.00 0.00 N ATOM 0 H HIS A 97 15.306 4.399 16.679 1.00 0.00 H new ATOM 0 HA HIS A 97 13.605 6.676 17.083 1.00 0.00 H new ATOM 0 HB2 HIS A 97 14.570 4.930 18.744 1.00 0.00 H new ATOM 0 HB3 HIS A 97 16.079 5.811 18.614 1.00 0.00 H new ATOM 0 HD2 HIS A 97 15.829 8.603 19.591 1.00 0.00 H new ATOM 0 HE1 HIS A 97 12.614 7.571 22.135 1.00 0.00 H new ATOM 0 HE2 HIS A 97 14.373 9.316 21.617 1.00 0.00 H new ATOM 1660 N HIS A 98 16.436 7.151 15.730 1.00 0.00 N ATOM 1661 CA HIS A 98 17.316 8.134 15.149 1.00 0.00 C ATOM 1662 C HIS A 98 17.625 7.739 13.719 1.00 0.00 C ATOM 1663 O HIS A 98 17.129 6.720 13.234 1.00 0.00 O ATOM 1664 CB HIS A 98 18.633 8.285 15.966 1.00 0.00 C ATOM 1665 CG HIS A 98 19.504 7.049 16.051 1.00 0.00 C ATOM 1666 ND1 HIS A 98 20.454 6.722 15.108 1.00 0.00 N ATOM 1667 CD2 HIS A 98 19.571 6.074 16.988 1.00 0.00 C ATOM 1668 CE1 HIS A 98 21.058 5.614 15.460 1.00 0.00 C ATOM 1669 NE2 HIS A 98 20.546 5.199 16.594 1.00 0.00 N ATOM 0 H HIS A 98 16.597 6.200 15.398 1.00 0.00 H new ATOM 0 HA HIS A 98 16.814 9.101 15.167 1.00 0.00 H new ATOM 0 HB2 HIS A 98 19.221 9.090 15.526 1.00 0.00 H new ATOM 0 HB3 HIS A 98 18.376 8.595 16.979 1.00 0.00 H new ATOM 0 HD1 HIS A 98 20.656 7.260 14.265 1.00 0.00 H new ATOM 0 HD2 HIS A 98 18.967 6.001 17.880 1.00 0.00 H new ATOM 0 HE1 HIS A 98 21.846 5.124 14.908 1.00 0.00 H new ATOM 1678 N HIS A 99 18.413 8.536 13.059 1.00 0.00 N ATOM 1679 CA HIS A 99 18.879 8.221 11.735 1.00 0.00 C ATOM 1680 C HIS A 99 20.101 7.365 11.870 1.00 0.00 C ATOM 1681 O HIS A 99 20.136 6.269 11.330 1.00 0.00 O ATOM 1682 CB HIS A 99 19.180 9.483 10.915 1.00 0.00 C ATOM 1683 CG HIS A 99 17.966 10.284 10.589 1.00 0.00 C ATOM 1684 ND1 HIS A 99 17.679 11.495 11.166 1.00 0.00 N ATOM 1685 CD2 HIS A 99 16.956 10.037 9.732 1.00 0.00 C ATOM 1686 CE1 HIS A 99 16.554 11.955 10.685 1.00 0.00 C ATOM 1687 NE2 HIS A 99 16.094 11.090 9.814 1.00 0.00 N ATOM 1688 OXT HIS A 99 20.994 7.735 12.656 1.00 0.00 O ATOM 0 H HIS A 99 18.753 9.426 13.422 1.00 0.00 H new ATOM 0 HA HIS A 99 18.098 7.687 11.194 1.00 0.00 H new ATOM 0 HB2 HIS A 99 19.880 10.108 11.469 1.00 0.00 H new ATOM 0 HB3 HIS A 99 19.675 9.195 9.988 1.00 0.00 H new ATOM 0 HD2 HIS A 99 16.849 9.168 9.099 1.00 0.00 H new ATOM 0 HE1 HIS A 99 16.084 12.888 10.958 1.00 0.00 H new ATOM 0 HE2 HIS A 99 15.229 11.189 9.282 1.00 0.00 H new TER 1697 HIS A 99