USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 847 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 19 THR OG1 : rot 165:sc= 1.87 USER MOD Set 1.2: A 27 LYS NZ :NH3+ 171:sc= 1.19 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 149:sc= 1.37 (180deg=1.05) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= 1.23 (180deg=1.02) USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= 1.11 (180deg=0.689) USER MOD Single : A 12 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.026) USER MOD Single : A 13 LYS NZ :NH3+ 157:sc= 1.31 (180deg=1.1) USER MOD Single : A 14 CYS SG : rot 180:sc=-0.00765 USER MOD Single : A 16 GLN : amide:sc= -0.0338 K(o=-0.034,f=-0.59) USER MOD Single : A 17 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 18 HIS : no HE2:sc= 0.874 K(o=0.87,f=-2.8!) USER MOD Single : A 22 LYS NZ :NH3+ -138:sc= 0.945 (180deg=0.253) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.875 K(o=0.88,f=-4.5!) USER MOD Single : A 33 HIS : no HD1:sc=-0.00341 X(o=-0.0034,f=-0.22) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 1.31 (180deg=1.21) USER MOD Single : A 40 THR OG1 : rot 103:sc= 1.81 USER MOD Single : A 42 GLN : amide:sc= -0.0724 K(o=-0.072,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -8:sc= 0.228 USER MOD Single : A 52 ASN : amide:sc= -1.37! X(o=-1.4!,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 176:sc= 0.833 (180deg=0.818) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00991 USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= 1.12 (180deg=1.04) USER MOD Single : A 63 THR OG1 : rot -159:sc= 0.244 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0.956 K(o=0.96,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= 2.24 (180deg=0.437) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -5:sc= 1.25 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= 1.22 (180deg=1.21) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0383 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -159:sc= 0.65 (180deg=-1.49!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot -69:sc= 1.26 USER MOD Single : A 103 ASN : amide:sc= -0.0477 K(o=-0.048,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.406 -3.650 -15.378 1.00 10.00 N ATOM 2 CA GLY A 1 -4.110 -3.891 -14.776 1.00 10.00 C ATOM 3 C GLY A 1 -3.709 -5.306 -15.159 1.00 10.00 C ATOM 4 O GLY A 1 -4.507 -6.224 -14.983 1.00 10.00 O ATOM 0 H1 GLY A 1 -5.949 -2.994 -14.781 1.00 10.00 H new ATOM 0 H2 GLY A 1 -5.278 -3.234 -16.323 1.00 10.00 H new ATOM 0 H3 GLY A 1 -5.922 -4.549 -15.463 1.00 10.00 H new ATOM 0 HA2 GLY A 1 -3.376 -3.170 -15.135 1.00 10.00 H new ATOM 0 HA3 GLY A 1 -4.160 -3.782 -13.693 1.00 10.00 H new ATOM 10 N ASP A 2 -2.536 -5.463 -15.751 1.00 10.00 N ATOM 11 CA ASP A 2 -1.921 -6.756 -16.015 1.00 10.00 C ATOM 12 C ASP A 2 -1.354 -7.342 -14.710 1.00 10.00 C ATOM 13 O ASP A 2 -0.570 -6.686 -14.027 1.00 10.00 O ATOM 14 CB ASP A 2 -0.788 -6.563 -17.022 1.00 10.00 C ATOM 15 CG ASP A 2 -0.230 -7.892 -17.494 1.00 10.00 C ATOM 16 OD1 ASP A 2 0.384 -8.568 -16.642 1.00 10.00 O ATOM 17 OD2 ASP A 2 -0.422 -8.213 -18.682 1.00 10.00 O ATOM 0 H ASP A 2 -1.970 -4.676 -16.069 1.00 10.00 H new ATOM 0 HA ASP A 2 -2.666 -7.443 -16.416 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -1.154 -5.996 -17.878 1.00 10.00 H new ATOM 0 HB3 ASP A 2 0.008 -5.974 -16.567 1.00 10.00 H new ATOM 22 N VAL A 3 -1.730 -8.574 -14.356 1.00 10.00 N ATOM 23 CA VAL A 3 -1.218 -9.260 -13.169 1.00 10.00 C ATOM 24 C VAL A 3 0.294 -9.500 -13.269 1.00 10.00 C ATOM 25 O VAL A 3 1.012 -9.344 -12.282 1.00 10.00 O ATOM 26 CB VAL A 3 -1.974 -10.592 -12.981 1.00 10.00 C ATOM 27 CG1 VAL A 3 -1.351 -11.479 -11.891 1.00 10.00 C ATOM 28 CG2 VAL A 3 -3.442 -10.333 -12.622 1.00 10.00 C ATOM 0 H VAL A 3 -2.402 -9.126 -14.889 1.00 10.00 H new ATOM 0 HA VAL A 3 -1.386 -8.625 -12.299 1.00 10.00 H new ATOM 0 HB VAL A 3 -1.902 -11.119 -13.932 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.923 -12.402 -11.802 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -0.321 -11.715 -12.159 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.366 -10.950 -10.938 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -3.958 -11.284 -12.494 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -3.495 -9.763 -11.694 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -3.918 -9.767 -13.423 1.00 10.00 H new ATOM 38 N GLU A 4 0.786 -9.925 -14.433 1.00 10.00 N ATOM 39 CA GLU A 4 2.184 -10.263 -14.608 1.00 10.00 C ATOM 40 C GLU A 4 3.028 -9.001 -14.524 1.00 10.00 C ATOM 41 O GLU A 4 3.996 -8.951 -13.763 1.00 10.00 O ATOM 42 CB GLU A 4 2.399 -10.968 -15.953 1.00 10.00 C ATOM 43 CG GLU A 4 2.549 -12.482 -15.749 1.00 10.00 C ATOM 44 CD GLU A 4 3.798 -12.828 -14.951 1.00 10.00 C ATOM 45 OE1 GLU A 4 4.876 -12.327 -15.336 1.00 10.00 O ATOM 46 OE2 GLU A 4 3.673 -13.541 -13.932 1.00 10.00 O ATOM 0 H GLU A 4 0.222 -10.042 -15.275 1.00 10.00 H new ATOM 0 HA GLU A 4 2.489 -10.946 -13.815 1.00 10.00 H new ATOM 0 HB2 GLU A 4 1.557 -10.766 -16.615 1.00 10.00 H new ATOM 0 HB3 GLU A 4 3.290 -10.571 -16.440 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.670 -12.867 -15.232 1.00 10.00 H new ATOM 0 HG3 GLU A 4 2.590 -12.976 -16.720 1.00 10.00 H new ATOM 53 N LYS A 5 2.671 -7.968 -15.290 1.00 10.00 N ATOM 54 CA LYS A 5 3.358 -6.703 -15.121 1.00 10.00 C ATOM 55 C LYS A 5 3.239 -6.268 -13.663 1.00 10.00 C ATOM 56 O LYS A 5 4.248 -5.943 -13.051 1.00 10.00 O ATOM 57 CB LYS A 5 2.899 -5.618 -16.082 1.00 10.00 C ATOM 58 CG LYS A 5 3.377 -5.853 -17.519 1.00 10.00 C ATOM 59 CD LYS A 5 3.989 -4.573 -18.122 1.00 10.00 C ATOM 60 CE LYS A 5 5.507 -4.528 -17.868 1.00 10.00 C ATOM 61 NZ LYS A 5 6.125 -3.270 -18.339 1.00 10.00 N ATOM 0 H LYS A 5 1.941 -7.985 -16.002 1.00 10.00 H new ATOM 0 HA LYS A 5 4.407 -6.858 -15.375 1.00 10.00 H new ATOM 0 HB2 LYS A 5 1.810 -5.566 -16.070 1.00 10.00 H new ATOM 0 HB3 LYS A 5 3.268 -4.653 -15.735 1.00 10.00 H new ATOM 0 HG2 LYS A 5 4.117 -6.653 -17.532 1.00 10.00 H new ATOM 0 HG3 LYS A 5 2.540 -6.183 -18.134 1.00 10.00 H new ATOM 0 HD2 LYS A 5 3.793 -4.539 -19.194 1.00 10.00 H new ATOM 0 HD3 LYS A 5 3.515 -3.695 -17.683 1.00 10.00 H new ATOM 0 HE2 LYS A 5 5.697 -4.644 -16.801 1.00 10.00 H new ATOM 0 HE3 LYS A 5 5.981 -5.372 -18.370 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 7.146 -3.291 -18.144 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 5.970 -3.169 -19.362 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 5.694 -2.464 -17.842 1.00 10.00 H new ATOM 75 N GLY A 6 2.039 -6.331 -13.085 1.00 10.00 N ATOM 76 CA GLY A 6 1.797 -6.027 -11.685 1.00 10.00 C ATOM 77 C GLY A 6 2.777 -6.712 -10.731 1.00 10.00 C ATOM 78 O GLY A 6 3.289 -6.077 -9.808 1.00 10.00 O ATOM 0 H GLY A 6 1.196 -6.600 -13.591 1.00 10.00 H new ATOM 0 HA2 GLY A 6 1.856 -4.948 -11.541 1.00 10.00 H new ATOM 0 HA3 GLY A 6 0.782 -6.328 -11.427 1.00 10.00 H new ATOM 82 N LYS A 7 3.039 -8.005 -10.945 1.00 10.00 N ATOM 83 CA LYS A 7 3.954 -8.786 -10.138 1.00 10.00 C ATOM 84 C LYS A 7 5.315 -8.118 -10.242 1.00 10.00 C ATOM 85 O LYS A 7 5.913 -7.743 -9.235 1.00 10.00 O ATOM 86 CB LYS A 7 3.976 -10.237 -10.655 1.00 10.00 C ATOM 87 CG LYS A 7 5.019 -11.138 -9.975 1.00 10.00 C ATOM 88 CD LYS A 7 5.225 -12.437 -10.774 1.00 10.00 C ATOM 89 CE LYS A 7 4.090 -13.448 -10.550 1.00 10.00 C ATOM 90 NZ LYS A 7 4.129 -14.543 -11.540 1.00 10.00 N ATOM 0 H LYS A 7 2.608 -8.539 -11.700 1.00 10.00 H new ATOM 0 HA LYS A 7 3.651 -8.826 -9.092 1.00 10.00 H new ATOM 0 HB2 LYS A 7 2.988 -10.675 -10.514 1.00 10.00 H new ATOM 0 HB3 LYS A 7 4.169 -10.225 -11.728 1.00 10.00 H new ATOM 0 HG2 LYS A 7 5.966 -10.605 -9.889 1.00 10.00 H new ATOM 0 HG3 LYS A 7 4.695 -11.377 -8.962 1.00 10.00 H new ATOM 0 HD2 LYS A 7 5.293 -12.200 -11.836 1.00 10.00 H new ATOM 0 HD3 LYS A 7 6.174 -12.890 -10.487 1.00 10.00 H new ATOM 0 HE2 LYS A 7 4.166 -13.863 -9.545 1.00 10.00 H new ATOM 0 HE3 LYS A 7 3.130 -12.936 -10.611 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 3.580 -15.352 -11.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 3.720 -14.214 -12.438 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 5.115 -14.836 -11.695 1.00 10.00 H new ATOM 104 N LYS A 8 5.800 -7.964 -11.475 1.00 10.00 N ATOM 105 CA LYS A 8 7.119 -7.406 -11.698 1.00 10.00 C ATOM 106 C LYS A 8 7.220 -6.018 -11.065 1.00 10.00 C ATOM 107 O LYS A 8 8.192 -5.705 -10.387 1.00 10.00 O ATOM 108 CB LYS A 8 7.464 -7.381 -13.193 1.00 10.00 C ATOM 109 CG LYS A 8 8.105 -8.683 -13.696 1.00 10.00 C ATOM 110 CD LYS A 8 7.277 -9.937 -13.381 1.00 10.00 C ATOM 111 CE LYS A 8 7.681 -11.120 -14.271 1.00 10.00 C ATOM 112 NZ LYS A 8 7.062 -11.033 -15.609 1.00 10.00 N ATOM 0 H LYS A 8 5.297 -8.218 -12.325 1.00 10.00 H new ATOM 0 HA LYS A 8 7.856 -8.048 -11.214 1.00 10.00 H new ATOM 0 HB2 LYS A 8 6.556 -7.188 -13.764 1.00 10.00 H new ATOM 0 HB3 LYS A 8 8.144 -6.552 -13.387 1.00 10.00 H new ATOM 0 HG2 LYS A 8 8.249 -8.614 -14.774 1.00 10.00 H new ATOM 0 HG3 LYS A 8 9.093 -8.788 -13.248 1.00 10.00 H new ATOM 0 HD2 LYS A 8 7.410 -10.207 -12.333 1.00 10.00 H new ATOM 0 HD3 LYS A 8 6.218 -9.720 -13.523 1.00 10.00 H new ATOM 0 HE2 LYS A 8 8.766 -11.145 -14.373 1.00 10.00 H new ATOM 0 HE3 LYS A 8 7.384 -12.053 -13.793 1.00 10.00 H new ATOM 0 HZ1 LYS A 8 7.543 -11.689 -16.257 1.00 10.00 H new ATOM 0 HZ2 LYS A 8 6.056 -11.287 -15.543 1.00 10.00 H new ATOM 0 HZ3 LYS A 8 7.151 -10.062 -15.970 1.00 10.00 H new ATOM 126 N ILE A 9 6.203 -5.186 -11.265 1.00 10.00 N ATOM 127 CA ILE A 9 6.138 -3.850 -10.724 1.00 10.00 C ATOM 128 C ILE A 9 6.267 -3.916 -9.208 1.00 10.00 C ATOM 129 O ILE A 9 7.193 -3.323 -8.669 1.00 10.00 O ATOM 130 CB ILE A 9 4.851 -3.175 -11.218 1.00 10.00 C ATOM 131 CG1 ILE A 9 4.969 -2.915 -12.731 1.00 10.00 C ATOM 132 CG2 ILE A 9 4.560 -1.859 -10.491 1.00 10.00 C ATOM 133 CD1 ILE A 9 3.603 -2.605 -13.332 1.00 10.00 C ATOM 0 H ILE A 9 5.386 -5.436 -11.822 1.00 10.00 H new ATOM 0 HA ILE A 9 6.965 -3.232 -11.073 1.00 10.00 H new ATOM 0 HB ILE A 9 4.021 -3.849 -11.005 1.00 10.00 H new ATOM 0 HG12 ILE A 9 5.648 -2.082 -12.910 1.00 10.00 H new ATOM 0 HG13 ILE A 9 5.399 -3.788 -13.223 1.00 10.00 H new ATOM 0 HG21 ILE A 9 3.639 -1.425 -10.880 1.00 10.00 H new ATOM 0 HG22 ILE A 9 4.449 -2.050 -9.424 1.00 10.00 H new ATOM 0 HG23 ILE A 9 5.385 -1.165 -10.652 1.00 10.00 H new ATOM 0 HD11 ILE A 9 3.709 -2.424 -14.402 1.00 10.00 H new ATOM 0 HD12 ILE A 9 2.934 -3.451 -13.171 1.00 10.00 H new ATOM 0 HD13 ILE A 9 3.188 -1.718 -12.854 1.00 10.00 H new ATOM 145 N PHE A 10 5.397 -4.657 -8.520 1.00 10.00 N ATOM 146 CA PHE A 10 5.493 -4.836 -7.075 1.00 10.00 C ATOM 147 C PHE A 10 6.932 -5.199 -6.672 1.00 10.00 C ATOM 148 O PHE A 10 7.536 -4.547 -5.814 1.00 10.00 O ATOM 149 CB PHE A 10 4.482 -5.900 -6.632 1.00 10.00 C ATOM 150 CG PHE A 10 4.441 -6.123 -5.134 1.00 10.00 C ATOM 151 CD1 PHE A 10 3.624 -5.315 -4.321 1.00 10.00 C ATOM 152 CD2 PHE A 10 5.225 -7.136 -4.550 1.00 10.00 C ATOM 153 CE1 PHE A 10 3.585 -5.520 -2.933 1.00 10.00 C ATOM 154 CE2 PHE A 10 5.186 -7.340 -3.161 1.00 10.00 C ATOM 155 CZ PHE A 10 4.372 -6.527 -2.355 1.00 10.00 C ATOM 0 H PHE A 10 4.611 -5.146 -8.948 1.00 10.00 H new ATOM 0 HA PHE A 10 5.250 -3.903 -6.567 1.00 10.00 H new ATOM 0 HB2 PHE A 10 3.489 -5.608 -6.973 1.00 10.00 H new ATOM 0 HB3 PHE A 10 4.723 -6.843 -7.123 1.00 10.00 H new ATOM 0 HD1 PHE A 10 3.025 -4.535 -4.767 1.00 10.00 H new ATOM 0 HD2 PHE A 10 5.856 -7.756 -5.170 1.00 10.00 H new ATOM 0 HE1 PHE A 10 2.951 -4.904 -2.312 1.00 10.00 H new ATOM 0 HE2 PHE A 10 5.782 -8.122 -2.713 1.00 10.00 H new ATOM 0 HZ PHE A 10 4.352 -6.678 -1.286 1.00 10.00 H new ATOM 165 N VAL A 11 7.499 -6.198 -7.357 1.00 10.00 N ATOM 166 CA VAL A 11 8.857 -6.695 -7.141 1.00 10.00 C ATOM 167 C VAL A 11 9.923 -5.622 -7.411 1.00 10.00 C ATOM 168 O VAL A 11 11.043 -5.709 -6.911 1.00 10.00 O ATOM 169 CB VAL A 11 9.089 -7.959 -7.984 1.00 10.00 C ATOM 170 CG1 VAL A 11 10.528 -8.484 -7.880 1.00 10.00 C ATOM 171 CG2 VAL A 11 8.151 -9.067 -7.500 1.00 10.00 C ATOM 0 H VAL A 11 7.008 -6.697 -8.099 1.00 10.00 H new ATOM 0 HA VAL A 11 8.958 -6.956 -6.088 1.00 10.00 H new ATOM 0 HB VAL A 11 8.896 -7.688 -9.022 1.00 10.00 H new ATOM 0 HG11 VAL A 11 10.635 -9.377 -8.495 1.00 10.00 H new ATOM 0 HG12 VAL A 11 11.221 -7.718 -8.229 1.00 10.00 H new ATOM 0 HG13 VAL A 11 10.752 -8.730 -6.842 1.00 10.00 H new ATOM 0 HG21 VAL A 11 8.312 -9.966 -8.095 1.00 10.00 H new ATOM 0 HG22 VAL A 11 8.355 -9.285 -6.452 1.00 10.00 H new ATOM 0 HG23 VAL A 11 7.117 -8.741 -7.608 1.00 10.00 H new ATOM 181 N GLN A 12 9.606 -4.622 -8.231 1.00 10.00 N ATOM 182 CA GLN A 12 10.529 -3.572 -8.632 1.00 10.00 C ATOM 183 C GLN A 12 10.199 -2.219 -8.009 1.00 10.00 C ATOM 184 O GLN A 12 10.893 -1.246 -8.311 1.00 10.00 O ATOM 185 CB GLN A 12 10.523 -3.487 -10.159 1.00 10.00 C ATOM 186 CG GLN A 12 11.082 -4.777 -10.783 1.00 10.00 C ATOM 187 CD GLN A 12 12.595 -4.882 -10.642 1.00 10.00 C ATOM 188 OE1 GLN A 12 13.328 -4.491 -11.543 1.00 10.00 O ATOM 189 NE2 GLN A 12 13.077 -5.404 -9.518 1.00 10.00 N ATOM 0 H GLN A 12 8.678 -4.520 -8.642 1.00 10.00 H new ATOM 0 HA GLN A 12 11.523 -3.828 -8.266 1.00 10.00 H new ATOM 0 HB2 GLN A 12 9.506 -3.318 -10.514 1.00 10.00 H new ATOM 0 HB3 GLN A 12 11.120 -2.634 -10.482 1.00 10.00 H new ATOM 0 HG2 GLN A 12 10.615 -5.639 -10.308 1.00 10.00 H new ATOM 0 HG3 GLN A 12 10.815 -4.812 -11.839 1.00 10.00 H new ATOM 0 HE21 GLN A 12 12.439 -5.720 -8.788 1.00 10.00 H new ATOM 0 HE22 GLN A 12 14.085 -5.489 -9.386 1.00 10.00 H new ATOM 198 N LYS A 13 9.121 -2.120 -7.229 1.00 10.00 N ATOM 199 CA LYS A 13 8.652 -0.874 -6.636 1.00 10.00 C ATOM 200 C LYS A 13 8.588 -0.993 -5.105 1.00 10.00 C ATOM 201 O LYS A 13 9.020 -0.082 -4.401 1.00 10.00 O ATOM 202 CB LYS A 13 7.252 -0.527 -7.170 1.00 10.00 C ATOM 203 CG LYS A 13 7.113 0.219 -8.510 1.00 10.00 C ATOM 204 CD LYS A 13 7.975 -0.219 -9.699 1.00 10.00 C ATOM 205 CE LYS A 13 9.152 0.751 -9.886 1.00 10.00 C ATOM 206 NZ LYS A 13 10.306 0.107 -10.538 1.00 10.00 N ATOM 0 H LYS A 13 8.540 -2.923 -6.989 1.00 10.00 H new ATOM 0 HA LYS A 13 9.355 -0.086 -6.906 1.00 10.00 H new ATOM 0 HB2 LYS A 13 6.695 -1.460 -7.257 1.00 10.00 H new ATOM 0 HB3 LYS A 13 6.752 0.073 -6.409 1.00 10.00 H new ATOM 0 HG2 LYS A 13 6.070 0.151 -8.818 1.00 10.00 H new ATOM 0 HG3 LYS A 13 7.322 1.272 -8.323 1.00 10.00 H new ATOM 0 HD2 LYS A 13 8.349 -1.229 -9.534 1.00 10.00 H new ATOM 0 HD3 LYS A 13 7.370 -0.248 -10.605 1.00 10.00 H new ATOM 0 HE2 LYS A 13 8.827 1.602 -10.484 1.00 10.00 H new ATOM 0 HE3 LYS A 13 9.457 1.141 -8.915 1.00 10.00 H new ATOM 0 HZ1 LYS A 13 10.898 0.832 -10.990 1.00 10.00 H new ATOM 0 HZ2 LYS A 13 10.867 -0.404 -9.826 1.00 10.00 H new ATOM 0 HZ3 LYS A 13 9.968 -0.563 -11.258 1.00 10.00 H new ATOM 220 N CYS A 14 7.988 -2.075 -4.593 1.00 10.00 N ATOM 221 CA CYS A 14 7.503 -2.166 -3.213 1.00 10.00 C ATOM 222 C CYS A 14 8.208 -3.292 -2.425 1.00 10.00 C ATOM 223 O CYS A 14 8.302 -3.234 -1.200 1.00 10.00 O ATOM 224 CB CYS A 14 6.000 -2.371 -3.222 1.00 10.00 C ATOM 225 SG CYS A 14 5.102 -1.569 -4.607 1.00 10.00 S ATOM 0 H CYS A 14 7.824 -2.923 -5.135 1.00 10.00 H new ATOM 0 HA CYS A 14 7.740 -1.232 -2.704 1.00 10.00 H new ATOM 0 HB2 CYS A 14 5.797 -3.442 -3.252 1.00 10.00 H new ATOM 0 HB3 CYS A 14 5.594 -1.996 -2.283 1.00 10.00 H new ATOM 0 HG CYS A 14 3.831 -1.820 -4.503 1.00 10.00 H new ATOM 230 N ALA A 15 8.674 -4.327 -3.134 1.00 10.00 N ATOM 231 CA ALA A 15 9.290 -5.570 -2.656 1.00 10.00 C ATOM 232 C ALA A 15 10.032 -5.530 -1.313 1.00 10.00 C ATOM 233 O ALA A 15 9.608 -6.140 -0.327 1.00 10.00 O ATOM 234 CB ALA A 15 10.241 -6.071 -3.745 1.00 10.00 C ATOM 0 H ALA A 15 8.624 -4.314 -4.153 1.00 10.00 H new ATOM 0 HA ALA A 15 8.452 -6.238 -2.457 1.00 10.00 H new ATOM 0 HB1 ALA A 15 10.715 -6.996 -3.417 1.00 10.00 H new ATOM 0 HB2 ALA A 15 9.680 -6.256 -4.661 1.00 10.00 H new ATOM 0 HB3 ALA A 15 11.007 -5.319 -3.934 1.00 10.00 H new ATOM 240 N GLN A 16 11.172 -4.835 -1.238 1.00 10.00 N ATOM 241 CA GLN A 16 11.958 -4.735 -0.009 1.00 10.00 C ATOM 242 C GLN A 16 11.311 -3.723 0.941 1.00 10.00 C ATOM 243 O GLN A 16 11.980 -2.904 1.565 1.00 10.00 O ATOM 244 CB GLN A 16 13.427 -4.424 -0.351 1.00 10.00 C ATOM 245 CG GLN A 16 14.233 -5.708 -0.632 1.00 10.00 C ATOM 246 CD GLN A 16 15.240 -6.046 0.473 1.00 10.00 C ATOM 247 OE1 GLN A 16 15.058 -5.694 1.633 1.00 10.00 O ATOM 248 NE2 GLN A 16 16.316 -6.746 0.124 1.00 10.00 N ATOM 0 H GLN A 16 11.573 -4.328 -2.027 1.00 10.00 H new ATOM 0 HA GLN A 16 11.965 -5.687 0.521 1.00 10.00 H new ATOM 0 HB2 GLN A 16 13.467 -3.771 -1.223 1.00 10.00 H new ATOM 0 HB3 GLN A 16 13.885 -3.880 0.475 1.00 10.00 H new ATOM 0 HG2 GLN A 16 13.543 -6.543 -0.753 1.00 10.00 H new ATOM 0 HG3 GLN A 16 14.765 -5.595 -1.577 1.00 10.00 H new ATOM 0 HE21 GLN A 16 16.448 -7.029 -0.847 1.00 10.00 H new ATOM 0 HE22 GLN A 16 17.009 -7.000 0.828 1.00 10.00 H new ATOM 257 N CYS A 17 9.989 -3.821 1.083 1.00 10.00 N ATOM 258 CA CYS A 17 9.213 -3.108 2.059 1.00 10.00 C ATOM 259 C CYS A 17 7.885 -3.823 2.261 1.00 10.00 C ATOM 260 O CYS A 17 7.571 -4.107 3.403 1.00 10.00 O ATOM 261 CB CYS A 17 9.055 -1.658 1.701 1.00 10.00 C ATOM 262 SG CYS A 17 9.020 -0.750 3.267 1.00 10.00 S ATOM 0 H CYS A 17 9.421 -4.427 0.491 1.00 10.00 H new ATOM 0 HA CYS A 17 9.744 -3.107 3.011 1.00 10.00 H new ATOM 0 HB2 CYS A 17 9.880 -1.320 1.074 1.00 10.00 H new ATOM 0 HB3 CYS A 17 8.137 -1.495 1.136 1.00 10.00 H new ATOM 0 HG CYS A 17 8.886 0.521 3.029 1.00 10.00 H new ATOM 267 N HIS A 18 7.143 -4.184 1.204 1.00 10.00 N ATOM 268 CA HIS A 18 5.918 -4.970 1.332 1.00 10.00 C ATOM 269 C HIS A 18 6.102 -6.358 0.748 1.00 10.00 C ATOM 270 O HIS A 18 6.884 -6.545 -0.177 1.00 10.00 O ATOM 271 CB HIS A 18 4.779 -4.300 0.579 1.00 10.00 C ATOM 272 CG HIS A 18 4.277 -3.067 1.259 1.00 10.00 C ATOM 273 ND1 HIS A 18 3.508 -3.005 2.400 1.00 10.00 N ATOM 274 CD2 HIS A 18 4.420 -1.806 0.770 1.00 10.00 C ATOM 275 CE1 HIS A 18 3.169 -1.713 2.562 1.00 10.00 C ATOM 276 NE2 HIS A 18 3.706 -0.946 1.595 1.00 10.00 N ATOM 0 H HIS A 18 7.378 -3.938 0.242 1.00 10.00 H new ATOM 0 HA HIS A 18 5.686 -5.040 2.395 1.00 10.00 H new ATOM 0 HB2 HIS A 18 5.116 -4.043 -0.425 1.00 10.00 H new ATOM 0 HB3 HIS A 18 3.957 -5.008 0.468 1.00 10.00 H new ATOM 0 HD1 HIS A 18 3.247 -3.785 3.003 1.00 10.00 H new ATOM 0 HD2 HIS A 18 4.988 -1.523 -0.104 1.00 10.00 H new ATOM 0 HE1 HIS A 18 2.548 -1.340 3.363 1.00 10.00 H new ATOM 284 N THR A 19 5.334 -7.319 1.263 1.00 10.00 N ATOM 285 CA THR A 19 5.402 -8.706 0.827 1.00 10.00 C ATOM 286 C THR A 19 4.081 -9.231 0.264 1.00 10.00 C ATOM 287 O THR A 19 4.091 -9.985 -0.703 1.00 10.00 O ATOM 288 CB THR A 19 5.884 -9.569 1.990 1.00 10.00 C ATOM 289 OG1 THR A 19 7.013 -8.998 2.616 1.00 10.00 O ATOM 290 CG2 THR A 19 6.272 -10.926 1.432 1.00 10.00 C ATOM 0 H THR A 19 4.646 -7.152 1.997 1.00 10.00 H new ATOM 0 HA THR A 19 6.111 -8.759 0.001 1.00 10.00 H new ATOM 0 HB THR A 19 5.087 -9.651 2.729 1.00 10.00 H new ATOM 0 HG1 THR A 19 7.155 -9.424 3.487 1.00 10.00 H new ATOM 0 HG21 THR A 19 6.621 -11.566 2.242 1.00 10.00 H new ATOM 0 HG22 THR A 19 5.406 -11.384 0.955 1.00 10.00 H new ATOM 0 HG23 THR A 19 7.068 -10.803 0.697 1.00 10.00 H new ATOM 298 N VAL A 20 2.965 -8.864 0.896 1.00 10.00 N ATOM 299 CA VAL A 20 1.620 -9.323 0.575 1.00 10.00 C ATOM 300 C VAL A 20 1.502 -10.849 0.626 1.00 10.00 C ATOM 301 O VAL A 20 0.773 -11.433 -0.171 1.00 10.00 O ATOM 302 CB VAL A 20 1.054 -8.693 -0.719 1.00 10.00 C ATOM 303 CG1 VAL A 20 1.029 -7.165 -0.613 1.00 10.00 C ATOM 304 CG2 VAL A 20 1.728 -9.083 -2.041 1.00 10.00 C ATOM 0 H VAL A 20 2.979 -8.210 1.679 1.00 10.00 H new ATOM 0 HA VAL A 20 0.969 -8.951 1.366 1.00 10.00 H new ATOM 0 HB VAL A 20 0.052 -9.119 -0.775 1.00 10.00 H new ATOM 0 HG11 VAL A 20 0.627 -6.743 -1.534 1.00 10.00 H new ATOM 0 HG12 VAL A 20 0.400 -6.869 0.226 1.00 10.00 H new ATOM 0 HG13 VAL A 20 2.042 -6.795 -0.456 1.00 10.00 H new ATOM 0 HG21 VAL A 20 1.233 -8.571 -2.866 1.00 10.00 H new ATOM 0 HG22 VAL A 20 2.779 -8.795 -2.013 1.00 10.00 H new ATOM 0 HG23 VAL A 20 1.651 -10.161 -2.184 1.00 10.00 H new ATOM 314 N GLU A 21 2.169 -11.485 1.599 1.00 10.00 N ATOM 315 CA GLU A 21 1.967 -12.898 1.890 1.00 10.00 C ATOM 316 C GLU A 21 1.849 -13.133 3.400 1.00 10.00 C ATOM 317 O GLU A 21 1.973 -12.193 4.186 1.00 10.00 O ATOM 318 CB GLU A 21 2.989 -13.774 1.151 1.00 10.00 C ATOM 319 CG GLU A 21 4.357 -13.848 1.840 1.00 10.00 C ATOM 320 CD GLU A 21 4.576 -15.095 2.690 1.00 10.00 C ATOM 321 OE1 GLU A 21 3.586 -15.816 2.954 1.00 10.00 O ATOM 322 OE2 GLU A 21 5.728 -15.272 3.130 1.00 10.00 O ATOM 0 H GLU A 21 2.858 -11.032 2.199 1.00 10.00 H new ATOM 0 HA GLU A 21 1.007 -13.223 1.489 1.00 10.00 H new ATOM 0 HB2 GLU A 21 2.586 -14.782 1.055 1.00 10.00 H new ATOM 0 HB3 GLU A 21 3.122 -13.386 0.141 1.00 10.00 H new ATOM 0 HG2 GLU A 21 5.135 -13.803 1.078 1.00 10.00 H new ATOM 0 HG3 GLU A 21 4.478 -12.968 2.472 1.00 10.00 H new ATOM 329 N LYS A 22 1.590 -14.376 3.802 1.00 10.00 N ATOM 330 CA LYS A 22 1.377 -14.766 5.185 1.00 10.00 C ATOM 331 C LYS A 22 2.650 -14.581 5.999 1.00 10.00 C ATOM 332 O LYS A 22 2.715 -13.778 6.927 1.00 10.00 O ATOM 333 CB LYS A 22 0.905 -16.226 5.245 1.00 10.00 C ATOM 334 CG LYS A 22 -0.590 -16.410 4.964 1.00 10.00 C ATOM 335 CD LYS A 22 -0.991 -17.853 5.317 1.00 10.00 C ATOM 336 CE LYS A 22 -2.508 -18.081 5.239 1.00 10.00 C ATOM 337 NZ LYS A 22 -2.997 -18.174 3.849 1.00 10.00 N ATOM 0 H LYS A 22 1.522 -15.159 3.152 1.00 10.00 H new ATOM 0 HA LYS A 22 0.607 -14.127 5.616 1.00 10.00 H new ATOM 0 HB2 LYS A 22 1.475 -16.811 4.523 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.131 -16.630 6.232 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -1.174 -15.702 5.552 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -0.804 -16.205 3.915 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -0.489 -18.542 4.638 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -0.644 -18.087 6.323 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -2.762 -18.997 5.772 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -3.021 -17.264 5.747 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -3.888 -17.645 3.758 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -2.288 -17.771 3.204 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -3.160 -19.172 3.604 1.00 10.00 H new ATOM 351 N GLY A 23 3.680 -15.317 5.616 1.00 10.00 N ATOM 352 CA GLY A 23 4.981 -15.354 6.276 1.00 10.00 C ATOM 353 C GLY A 23 5.854 -14.146 5.928 1.00 10.00 C ATOM 354 O GLY A 23 7.077 -14.195 6.067 1.00 10.00 O ATOM 0 H GLY A 23 3.634 -15.932 4.803 1.00 10.00 H new ATOM 0 HA2 GLY A 23 4.835 -15.393 7.356 1.00 10.00 H new ATOM 0 HA3 GLY A 23 5.502 -16.268 5.992 1.00 10.00 H new ATOM 358 N GLY A 24 5.242 -13.036 5.506 1.00 10.00 N ATOM 359 CA GLY A 24 5.947 -11.999 4.779 1.00 10.00 C ATOM 360 C GLY A 24 6.738 -11.031 5.653 1.00 10.00 C ATOM 361 O GLY A 24 7.418 -10.160 5.109 1.00 10.00 O ATOM 0 H GLY A 24 4.253 -12.840 5.661 1.00 10.00 H new ATOM 0 HA2 GLY A 24 6.630 -12.470 4.073 1.00 10.00 H new ATOM 0 HA3 GLY A 24 5.225 -11.430 4.193 1.00 10.00 H new ATOM 365 N LYS A 25 6.655 -11.185 6.979 1.00 10.00 N ATOM 366 CA LYS A 25 7.329 -10.369 7.982 1.00 10.00 C ATOM 367 C LYS A 25 6.770 -8.942 8.058 1.00 10.00 C ATOM 368 O LYS A 25 6.055 -8.478 7.172 1.00 10.00 O ATOM 369 CB LYS A 25 8.857 -10.375 7.801 1.00 10.00 C ATOM 370 CG LYS A 25 9.433 -11.794 7.695 1.00 10.00 C ATOM 371 CD LYS A 25 10.967 -11.732 7.698 1.00 10.00 C ATOM 372 CE LYS A 25 11.567 -13.141 7.593 1.00 10.00 C ATOM 373 NZ LYS A 25 13.045 -13.124 7.654 1.00 10.00 N ATOM 0 H LYS A 25 6.086 -11.921 7.398 1.00 10.00 H new ATOM 0 HA LYS A 25 7.117 -10.835 8.944 1.00 10.00 H new ATOM 0 HB2 LYS A 25 9.115 -9.814 6.903 1.00 10.00 H new ATOM 0 HB3 LYS A 25 9.321 -9.860 8.642 1.00 10.00 H new ATOM 0 HG2 LYS A 25 9.083 -12.402 8.529 1.00 10.00 H new ATOM 0 HG3 LYS A 25 9.081 -12.272 6.781 1.00 10.00 H new ATOM 0 HD2 LYS A 25 11.313 -11.121 6.864 1.00 10.00 H new ATOM 0 HD3 LYS A 25 11.315 -11.250 8.612 1.00 10.00 H new ATOM 0 HE2 LYS A 25 11.179 -13.761 8.401 1.00 10.00 H new ATOM 0 HE3 LYS A 25 11.249 -13.601 6.657 1.00 10.00 H new ATOM 0 HZ1 LYS A 25 13.407 -14.096 7.579 1.00 10.00 H new ATOM 0 HZ2 LYS A 25 13.418 -12.554 6.868 1.00 10.00 H new ATOM 0 HZ3 LYS A 25 13.350 -12.709 8.558 1.00 10.00 H new ATOM 387 N HIS A 26 7.103 -8.259 9.157 1.00 10.00 N ATOM 388 CA HIS A 26 6.575 -6.945 9.503 1.00 10.00 C ATOM 389 C HIS A 26 7.425 -5.840 8.870 1.00 10.00 C ATOM 390 O HIS A 26 6.888 -4.934 8.243 1.00 10.00 O ATOM 391 CB HIS A 26 6.517 -6.815 11.032 1.00 10.00 C ATOM 392 CG HIS A 26 5.902 -8.019 11.706 1.00 10.00 C ATOM 393 ND1 HIS A 26 6.571 -8.935 12.488 1.00 10.00 N ATOM 394 CD2 HIS A 26 4.627 -8.486 11.522 1.00 10.00 C ATOM 395 CE1 HIS A 26 5.711 -9.927 12.773 1.00 10.00 C ATOM 396 NE2 HIS A 26 4.516 -9.702 12.204 1.00 10.00 N ATOM 0 H HIS A 26 7.765 -8.618 9.846 1.00 10.00 H new ATOM 0 HA HIS A 26 5.565 -6.836 9.107 1.00 10.00 H new ATOM 0 HB2 HIS A 26 7.526 -6.667 11.417 1.00 10.00 H new ATOM 0 HB3 HIS A 26 5.942 -5.927 11.294 1.00 10.00 H new ATOM 0 HD2 HIS A 26 3.848 -8.002 10.952 1.00 10.00 H new ATOM 0 HE1 HIS A 26 5.949 -10.789 13.378 1.00 10.00 H new ATOM 0 HE2 HIS A 26 3.691 -10.299 12.258 1.00 10.00 H new ATOM 404 N LYS A 27 8.754 -5.948 9.018 1.00 10.00 N ATOM 405 CA LYS A 27 9.760 -5.018 8.501 1.00 10.00 C ATOM 406 C LYS A 27 9.321 -3.543 8.588 1.00 10.00 C ATOM 407 O LYS A 27 8.781 -3.140 9.615 1.00 10.00 O ATOM 408 CB LYS A 27 10.327 -5.501 7.152 1.00 10.00 C ATOM 409 CG LYS A 27 9.236 -5.823 6.131 1.00 10.00 C ATOM 410 CD LYS A 27 9.826 -6.297 4.792 1.00 10.00 C ATOM 411 CE LYS A 27 8.729 -7.026 4.002 1.00 10.00 C ATOM 412 NZ LYS A 27 9.136 -7.437 2.638 1.00 10.00 N ATOM 0 H LYS A 27 9.173 -6.726 9.527 1.00 10.00 H new ATOM 0 HA LYS A 27 10.623 -5.030 9.167 1.00 10.00 H new ATOM 0 HB2 LYS A 27 10.985 -4.733 6.744 1.00 10.00 H new ATOM 0 HB3 LYS A 27 10.937 -6.389 7.317 1.00 10.00 H new ATOM 0 HG2 LYS A 27 8.580 -6.595 6.532 1.00 10.00 H new ATOM 0 HG3 LYS A 27 8.622 -4.938 5.964 1.00 10.00 H new ATOM 0 HD2 LYS A 27 10.201 -5.447 4.222 1.00 10.00 H new ATOM 0 HD3 LYS A 27 10.672 -6.962 4.966 1.00 10.00 H new ATOM 0 HE2 LYS A 27 8.422 -7.911 4.560 1.00 10.00 H new ATOM 0 HE3 LYS A 27 7.857 -6.377 3.929 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 8.404 -8.051 2.227 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 9.255 -6.593 2.042 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 10.036 -7.956 2.686 1.00 10.00 H new ATOM 426 N THR A 28 9.574 -2.731 7.554 1.00 10.00 N ATOM 427 CA THR A 28 9.021 -1.383 7.484 1.00 10.00 C ATOM 428 C THR A 28 7.579 -1.495 6.986 1.00 10.00 C ATOM 429 O THR A 28 6.645 -1.224 7.736 1.00 10.00 O ATOM 430 CB THR A 28 9.950 -0.444 6.694 1.00 10.00 C ATOM 431 OG1 THR A 28 11.222 -0.444 7.307 1.00 10.00 O ATOM 432 CG2 THR A 28 9.445 1.000 6.675 1.00 10.00 C ATOM 0 H THR A 28 10.158 -2.988 6.758 1.00 10.00 H new ATOM 0 HA THR A 28 8.972 -0.904 8.462 1.00 10.00 H new ATOM 0 HB THR A 28 9.986 -0.810 5.668 1.00 10.00 H new ATOM 0 HG1 THR A 28 11.824 0.150 6.811 1.00 10.00 H new ATOM 0 HG21 THR A 28 10.137 1.620 6.105 1.00 10.00 H new ATOM 0 HG22 THR A 28 8.460 1.035 6.211 1.00 10.00 H new ATOM 0 HG23 THR A 28 9.378 1.376 7.696 1.00 10.00 H new ATOM 440 N GLY A 29 7.376 -1.915 5.736 1.00 10.00 N ATOM 441 CA GLY A 29 6.040 -2.112 5.203 1.00 10.00 C ATOM 442 C GLY A 29 5.453 -3.416 5.738 1.00 10.00 C ATOM 443 O GLY A 29 6.073 -4.468 5.590 1.00 10.00 O ATOM 0 H GLY A 29 8.126 -2.124 5.078 1.00 10.00 H new ATOM 0 HA2 GLY A 29 5.401 -1.274 5.482 1.00 10.00 H new ATOM 0 HA3 GLY A 29 6.074 -2.138 4.114 1.00 10.00 H new ATOM 447 N PRO A 30 4.256 -3.401 6.340 1.00 10.00 N ATOM 448 CA PRO A 30 3.640 -4.640 6.754 1.00 10.00 C ATOM 449 C PRO A 30 3.369 -5.497 5.517 1.00 10.00 C ATOM 450 O PRO A 30 3.098 -4.988 4.421 1.00 10.00 O ATOM 451 CB PRO A 30 2.369 -4.250 7.512 1.00 10.00 C ATOM 452 CG PRO A 30 2.020 -2.867 6.960 1.00 10.00 C ATOM 453 CD PRO A 30 3.375 -2.269 6.575 1.00 10.00 C ATOM 0 HA PRO A 30 4.273 -5.241 7.407 1.00 10.00 H new ATOM 0 HB2 PRO A 30 1.565 -4.964 7.337 1.00 10.00 H new ATOM 0 HB3 PRO A 30 2.539 -4.219 8.588 1.00 10.00 H new ATOM 0 HG2 PRO A 30 1.356 -2.937 6.099 1.00 10.00 H new ATOM 0 HG3 PRO A 30 1.512 -2.256 7.706 1.00 10.00 H new ATOM 0 HD2 PRO A 30 3.289 -1.649 5.683 1.00 10.00 H new ATOM 0 HD3 PRO A 30 3.761 -1.632 7.370 1.00 10.00 H new ATOM 461 N ASN A 31 3.450 -6.814 5.696 1.00 10.00 N ATOM 462 CA ASN A 31 3.008 -7.773 4.707 1.00 10.00 C ATOM 463 C ASN A 31 1.511 -7.580 4.498 1.00 10.00 C ATOM 464 O ASN A 31 0.712 -8.038 5.308 1.00 10.00 O ATOM 465 CB ASN A 31 3.353 -9.202 5.147 1.00 10.00 C ATOM 466 CG ASN A 31 2.805 -9.607 6.516 1.00 10.00 C ATOM 467 OD1 ASN A 31 2.886 -8.850 7.481 1.00 10.00 O ATOM 468 ND2 ASN A 31 2.285 -10.825 6.620 1.00 10.00 N ATOM 0 H ASN A 31 3.829 -7.241 6.541 1.00 10.00 H new ATOM 0 HA ASN A 31 3.522 -7.612 3.759 1.00 10.00 H new ATOM 0 HB2 ASN A 31 2.972 -9.898 4.400 1.00 10.00 H new ATOM 0 HB3 ASN A 31 4.438 -9.310 5.160 1.00 10.00 H new ATOM 0 HD21 ASN A 31 1.938 -11.156 7.520 1.00 10.00 H new ATOM 0 HD22 ASN A 31 2.232 -11.429 5.800 1.00 10.00 H new ATOM 475 N LEU A 32 1.134 -6.874 3.426 1.00 10.00 N ATOM 476 CA LEU A 32 -0.232 -6.402 3.209 1.00 10.00 C ATOM 477 C LEU A 32 -1.195 -7.507 2.731 1.00 10.00 C ATOM 478 O LEU A 32 -1.986 -7.335 1.804 1.00 10.00 O ATOM 479 CB LEU A 32 -0.206 -5.157 2.299 1.00 10.00 C ATOM 480 CG LEU A 32 -0.211 -3.836 3.080 1.00 10.00 C ATOM 481 CD1 LEU A 32 -0.106 -2.691 2.065 1.00 10.00 C ATOM 482 CD2 LEU A 32 -1.476 -3.703 3.942 1.00 10.00 C ATOM 0 H LEU A 32 1.778 -6.613 2.679 1.00 10.00 H new ATOM 0 HA LEU A 32 -0.650 -6.105 4.171 1.00 10.00 H new ATOM 0 HB2 LEU A 32 0.682 -5.195 1.668 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.070 -5.182 1.635 1.00 10.00 H new ATOM 0 HG LEU A 32 0.635 -3.805 3.766 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.107 -1.737 2.592 1.00 10.00 H new ATOM 0 HD12 LEU A 32 0.819 -2.791 1.498 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -0.955 -2.730 1.383 1.00 10.00 H new ATOM 0 HD21 LEU A 32 -1.450 -2.757 4.483 1.00 10.00 H new ATOM 0 HD22 LEU A 32 -2.357 -3.730 3.301 1.00 10.00 H new ATOM 0 HD23 LEU A 32 -1.519 -4.527 4.654 1.00 10.00 H new ATOM 494 N HIS A 33 -1.146 -8.652 3.402 1.00 10.00 N ATOM 495 CA HIS A 33 -2.025 -9.785 3.215 1.00 10.00 C ATOM 496 C HIS A 33 -3.442 -9.350 3.617 1.00 10.00 C ATOM 497 O HIS A 33 -3.635 -8.793 4.697 1.00 10.00 O ATOM 498 CB HIS A 33 -1.440 -10.906 4.086 1.00 10.00 C ATOM 499 CG HIS A 33 -2.127 -12.240 3.996 1.00 10.00 C ATOM 500 ND1 HIS A 33 -2.085 -13.126 2.943 1.00 10.00 N ATOM 501 CD2 HIS A 33 -2.754 -12.868 5.036 1.00 10.00 C ATOM 502 CE1 HIS A 33 -2.770 -14.218 3.318 1.00 10.00 C ATOM 503 NE2 HIS A 33 -3.175 -14.124 4.595 1.00 10.00 N ATOM 0 H HIS A 33 -0.451 -8.817 4.130 1.00 10.00 H new ATOM 0 HA HIS A 33 -2.096 -10.145 2.189 1.00 10.00 H new ATOM 0 HB2 HIS A 33 -0.393 -11.040 3.815 1.00 10.00 H new ATOM 0 HB3 HIS A 33 -1.460 -10.579 5.126 1.00 10.00 H new ATOM 0 HD2 HIS A 33 -2.899 -12.463 6.027 1.00 10.00 H new ATOM 0 HE1 HIS A 33 -2.970 -15.063 2.676 1.00 10.00 H new ATOM 0 HE2 HIS A 33 -3.685 -14.825 5.132 1.00 10.00 H new ATOM 511 N GLY A 34 -4.425 -9.541 2.734 1.00 10.00 N ATOM 512 CA GLY A 34 -5.802 -9.115 2.952 1.00 10.00 C ATOM 513 C GLY A 34 -5.972 -7.593 3.047 1.00 10.00 C ATOM 514 O GLY A 34 -6.834 -7.121 3.786 1.00 10.00 O ATOM 0 H GLY A 34 -4.281 -10.003 1.836 1.00 10.00 H new ATOM 0 HA2 GLY A 34 -6.422 -9.490 2.138 1.00 10.00 H new ATOM 0 HA3 GLY A 34 -6.172 -9.571 3.870 1.00 10.00 H new ATOM 518 N LEU A 35 -5.189 -6.824 2.278 1.00 10.00 N ATOM 519 CA LEU A 35 -5.370 -5.380 2.125 1.00 10.00 C ATOM 520 C LEU A 35 -6.811 -5.061 1.721 1.00 10.00 C ATOM 521 O LEU A 35 -7.525 -4.334 2.411 1.00 10.00 O ATOM 522 CB LEU A 35 -4.390 -4.869 1.055 1.00 10.00 C ATOM 523 CG LEU A 35 -4.512 -3.383 0.660 1.00 10.00 C ATOM 524 CD1 LEU A 35 -4.155 -2.416 1.784 1.00 10.00 C ATOM 525 CD2 LEU A 35 -3.607 -3.137 -0.542 1.00 10.00 C ATOM 0 H LEU A 35 -4.405 -7.194 1.741 1.00 10.00 H new ATOM 0 HA LEU A 35 -5.169 -4.884 3.075 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -3.375 -5.045 1.411 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -4.521 -5.472 0.157 1.00 10.00 H new ATOM 0 HG LEU A 35 -5.558 -3.189 0.424 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -4.265 -1.391 1.431 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -4.821 -2.581 2.631 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -3.124 -2.584 2.095 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -3.676 -2.091 -0.841 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -2.576 -3.371 -0.275 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -3.921 -3.773 -1.370 1.00 10.00 H new ATOM 537 N PHE A 36 -7.220 -5.577 0.561 1.00 10.00 N ATOM 538 CA PHE A 36 -8.519 -5.276 -0.005 1.00 10.00 C ATOM 539 C PHE A 36 -9.621 -5.921 0.821 1.00 10.00 C ATOM 540 O PHE A 36 -9.573 -7.116 1.100 1.00 10.00 O ATOM 541 CB PHE A 36 -8.564 -5.712 -1.472 1.00 10.00 C ATOM 542 CG PHE A 36 -7.535 -5.027 -2.350 1.00 10.00 C ATOM 543 CD1 PHE A 36 -7.335 -3.640 -2.246 1.00 10.00 C ATOM 544 CD2 PHE A 36 -6.878 -5.743 -3.365 1.00 10.00 C ATOM 545 CE1 PHE A 36 -6.539 -2.966 -3.178 1.00 10.00 C ATOM 546 CE2 PHE A 36 -6.051 -5.064 -4.279 1.00 10.00 C ATOM 547 CZ PHE A 36 -5.849 -3.682 -4.162 1.00 10.00 C ATOM 0 H PHE A 36 -6.656 -6.212 -0.004 1.00 10.00 H new ATOM 0 HA PHE A 36 -8.687 -4.199 0.024 1.00 10.00 H new ATOM 0 HB2 PHE A 36 -8.412 -6.790 -1.525 1.00 10.00 H new ATOM 0 HB3 PHE A 36 -9.558 -5.510 -1.870 1.00 10.00 H new ATOM 0 HD1 PHE A 36 -7.799 -3.090 -1.441 1.00 10.00 H new ATOM 0 HD2 PHE A 36 -7.007 -6.812 -3.444 1.00 10.00 H new ATOM 0 HE1 PHE A 36 -6.457 -1.890 -3.138 1.00 10.00 H new ATOM 0 HE2 PHE A 36 -5.569 -5.611 -5.076 1.00 10.00 H new ATOM 0 HZ PHE A 36 -5.166 -3.174 -4.826 1.00 10.00 H new ATOM 557 N GLY A 37 -10.610 -5.111 1.205 1.00 10.00 N ATOM 558 CA GLY A 37 -11.682 -5.546 2.082 1.00 10.00 C ATOM 559 C GLY A 37 -11.308 -5.363 3.551 1.00 10.00 C ATOM 560 O GLY A 37 -11.777 -6.121 4.398 1.00 10.00 O ATOM 0 H GLY A 37 -10.684 -4.137 0.913 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -12.587 -4.979 1.862 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -11.908 -6.595 1.890 1.00 10.00 H new ATOM 564 N ARG A 38 -10.510 -4.337 3.873 1.00 10.00 N ATOM 565 CA ARG A 38 -10.277 -3.938 5.251 1.00 10.00 C ATOM 566 C ARG A 38 -10.140 -2.417 5.341 1.00 10.00 C ATOM 567 O ARG A 38 -9.757 -1.754 4.371 1.00 10.00 O ATOM 568 CB ARG A 38 -9.075 -4.705 5.836 1.00 10.00 C ATOM 569 CG ARG A 38 -9.184 -4.848 7.365 1.00 10.00 C ATOM 570 CD ARG A 38 -8.370 -6.042 7.884 1.00 10.00 C ATOM 571 NE ARG A 38 -8.754 -6.377 9.268 1.00 10.00 N ATOM 572 CZ ARG A 38 -8.646 -7.593 9.832 1.00 10.00 C ATOM 573 NH1 ARG A 38 -7.974 -8.564 9.205 1.00 10.00 N ATOM 574 NH2 ARG A 38 -9.221 -7.834 11.017 1.00 10.00 N ATOM 0 H ARG A 38 -10.015 -3.769 3.185 1.00 10.00 H new ATOM 0 HA ARG A 38 -11.135 -4.207 5.868 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -9.017 -5.694 5.381 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -8.152 -4.183 5.584 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -8.832 -3.933 7.842 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -10.230 -4.972 7.645 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -8.531 -6.905 7.238 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -7.306 -5.807 7.844 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.132 -5.625 9.844 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -7.543 -8.383 8.299 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -7.892 -9.486 9.633 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -9.741 -7.095 11.491 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -9.139 -8.756 11.445 1.00 10.00 H new ATOM 588 N LYS A 39 -10.522 -1.878 6.503 1.00 10.00 N ATOM 589 CA LYS A 39 -10.357 -0.476 6.850 1.00 10.00 C ATOM 590 C LYS A 39 -8.877 -0.167 7.073 1.00 10.00 C ATOM 591 O LYS A 39 -8.070 -1.079 7.247 1.00 10.00 O ATOM 592 CB LYS A 39 -11.164 -0.156 8.119 1.00 10.00 C ATOM 593 CG LYS A 39 -12.654 0.072 7.852 1.00 10.00 C ATOM 594 CD LYS A 39 -12.904 1.451 7.224 1.00 10.00 C ATOM 595 CE LYS A 39 -14.257 1.996 7.690 1.00 10.00 C ATOM 596 NZ LYS A 39 -14.577 3.298 7.067 1.00 10.00 N ATOM 0 H LYS A 39 -10.965 -2.424 7.242 1.00 10.00 H new ATOM 0 HA LYS A 39 -10.726 0.143 6.032 1.00 10.00 H new ATOM 0 HB2 LYS A 39 -11.051 -0.976 8.828 1.00 10.00 H new ATOM 0 HB3 LYS A 39 -10.747 0.734 8.591 1.00 10.00 H new ATOM 0 HG2 LYS A 39 -13.030 -0.706 7.187 1.00 10.00 H new ATOM 0 HG3 LYS A 39 -13.210 -0.011 8.786 1.00 10.00 H new ATOM 0 HD2 LYS A 39 -12.108 2.139 7.507 1.00 10.00 H new ATOM 0 HD3 LYS A 39 -12.888 1.374 6.137 1.00 10.00 H new ATOM 0 HE2 LYS A 39 -15.040 1.277 7.448 1.00 10.00 H new ATOM 0 HE3 LYS A 39 -14.249 2.106 8.774 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 -15.441 3.686 7.497 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 -13.788 3.958 7.218 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 -14.728 3.167 6.046 1.00 10.00 H new ATOM 610 N THR A 40 -8.531 1.120 7.098 1.00 10.00 N ATOM 611 CA THR A 40 -7.202 1.556 7.480 1.00 10.00 C ATOM 612 C THR A 40 -6.992 1.391 8.988 1.00 10.00 C ATOM 613 O THR A 40 -7.874 0.926 9.710 1.00 10.00 O ATOM 614 CB THR A 40 -6.979 2.998 7.015 1.00 10.00 C ATOM 615 OG1 THR A 40 -7.754 3.900 7.775 1.00 10.00 O ATOM 616 CG2 THR A 40 -7.360 3.173 5.554 1.00 10.00 C ATOM 0 H THR A 40 -9.165 1.881 6.854 1.00 10.00 H new ATOM 0 HA THR A 40 -6.457 0.929 6.989 1.00 10.00 H new ATOM 0 HB THR A 40 -5.918 3.208 7.149 1.00 10.00 H new ATOM 0 HG1 THR A 40 -7.181 4.353 8.429 1.00 10.00 H new ATOM 0 HG21 THR A 40 -7.190 4.207 5.255 1.00 10.00 H new ATOM 0 HG22 THR A 40 -6.751 2.512 4.937 1.00 10.00 H new ATOM 0 HG23 THR A 40 -8.413 2.925 5.420 1.00 10.00 H new ATOM 624 N GLY A 41 -5.803 1.786 9.449 1.00 10.00 N ATOM 625 CA GLY A 41 -5.265 1.498 10.772 1.00 10.00 C ATOM 626 C GLY A 41 -5.687 0.125 11.287 1.00 10.00 C ATOM 627 O GLY A 41 -6.268 0.019 12.365 1.00 10.00 O ATOM 0 H GLY A 41 -5.163 2.341 8.881 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -4.177 1.551 10.738 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -5.600 2.264 11.472 1.00 10.00 H new ATOM 631 N GLN A 42 -5.384 -0.916 10.512 1.00 10.00 N ATOM 632 CA GLN A 42 -5.625 -2.310 10.841 1.00 10.00 C ATOM 633 C GLN A 42 -4.467 -3.094 10.236 1.00 10.00 C ATOM 634 O GLN A 42 -4.155 -2.907 9.063 1.00 10.00 O ATOM 635 CB GLN A 42 -6.956 -2.773 10.229 1.00 10.00 C ATOM 636 CG GLN A 42 -8.178 -2.388 11.075 1.00 10.00 C ATOM 637 CD GLN A 42 -8.283 -3.211 12.358 1.00 10.00 C ATOM 638 OE1 GLN A 42 -7.572 -4.195 12.541 1.00 10.00 O ATOM 639 NE2 GLN A 42 -9.205 -2.851 13.245 1.00 10.00 N ATOM 0 H GLN A 42 -4.945 -0.799 9.599 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.688 -2.462 11.919 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -7.061 -2.341 9.234 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -6.934 -3.856 10.106 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -8.121 -1.330 11.330 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -9.083 -2.525 10.484 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -9.785 -2.030 13.073 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -9.333 -3.396 14.098 1.00 10.00 H new ATOM 648 N ALA A 43 -3.817 -3.941 11.033 1.00 10.00 N ATOM 649 CA ALA A 43 -2.671 -4.739 10.633 1.00 10.00 C ATOM 650 C ALA A 43 -2.443 -5.763 11.746 1.00 10.00 C ATOM 651 O ALA A 43 -2.908 -5.524 12.859 1.00 10.00 O ATOM 652 CB ALA A 43 -1.449 -3.830 10.464 1.00 10.00 C ATOM 0 H ALA A 43 -4.086 -4.092 12.005 1.00 10.00 H new ATOM 0 HA ALA A 43 -2.839 -5.243 9.681 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -0.589 -4.429 10.164 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -1.655 -3.082 9.699 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -1.232 -3.332 11.409 1.00 10.00 H new ATOM 658 N PRO A 44 -1.784 -6.899 11.464 1.00 10.00 N ATOM 659 CA PRO A 44 -1.539 -7.927 12.462 1.00 10.00 C ATOM 660 C PRO A 44 -0.440 -7.479 13.437 1.00 10.00 C ATOM 661 O PRO A 44 -0.715 -6.787 14.414 1.00 10.00 O ATOM 662 CB PRO A 44 -1.213 -9.194 11.657 1.00 10.00 C ATOM 663 CG PRO A 44 -0.640 -8.667 10.336 1.00 10.00 C ATOM 664 CD PRO A 44 -1.385 -7.346 10.137 1.00 10.00 C ATOM 0 HA PRO A 44 -2.393 -8.123 13.110 1.00 10.00 H new ATOM 0 HB2 PRO A 44 -0.493 -9.823 12.180 1.00 10.00 H new ATOM 0 HB3 PRO A 44 -2.104 -9.800 11.491 1.00 10.00 H new ATOM 0 HG2 PRO A 44 0.438 -8.517 10.396 1.00 10.00 H new ATOM 0 HG3 PRO A 44 -0.820 -9.359 9.514 1.00 10.00 H new ATOM 0 HD2 PRO A 44 -0.745 -6.608 9.654 1.00 10.00 H new ATOM 0 HD3 PRO A 44 -2.255 -7.483 9.495 1.00 10.00 H new ATOM 672 N GLY A 45 0.818 -7.853 13.193 1.00 10.00 N ATOM 673 CA GLY A 45 1.919 -7.527 14.085 1.00 10.00 C ATOM 674 C GLY A 45 2.409 -6.112 13.816 1.00 10.00 C ATOM 675 O GLY A 45 3.532 -5.919 13.354 1.00 10.00 O ATOM 0 H GLY A 45 1.096 -8.389 12.371 1.00 10.00 H new ATOM 0 HA2 GLY A 45 1.596 -7.617 15.122 1.00 10.00 H new ATOM 0 HA3 GLY A 45 2.735 -8.236 13.943 1.00 10.00 H new ATOM 679 N PHE A 46 1.557 -5.125 14.094 1.00 10.00 N ATOM 680 CA PHE A 46 1.899 -3.713 13.992 1.00 10.00 C ATOM 681 C PHE A 46 1.043 -2.942 15.000 1.00 10.00 C ATOM 682 O PHE A 46 -0.155 -3.195 15.092 1.00 10.00 O ATOM 683 CB PHE A 46 1.623 -3.230 12.559 1.00 10.00 C ATOM 684 CG PHE A 46 2.426 -2.033 12.075 1.00 10.00 C ATOM 685 CD1 PHE A 46 2.130 -0.739 12.542 1.00 10.00 C ATOM 686 CD2 PHE A 46 3.343 -2.188 11.017 1.00 10.00 C ATOM 687 CE1 PHE A 46 2.695 0.388 11.925 1.00 10.00 C ATOM 688 CE2 PHE A 46 3.903 -1.059 10.392 1.00 10.00 C ATOM 689 CZ PHE A 46 3.558 0.231 10.830 1.00 10.00 C ATOM 0 H PHE A 46 0.598 -5.290 14.400 1.00 10.00 H new ATOM 0 HA PHE A 46 2.954 -3.549 14.213 1.00 10.00 H new ATOM 0 HB2 PHE A 46 1.808 -4.061 11.878 1.00 10.00 H new ATOM 0 HB3 PHE A 46 0.564 -2.983 12.481 1.00 10.00 H new ATOM 0 HD1 PHE A 46 1.463 -0.612 13.382 1.00 10.00 H new ATOM 0 HD2 PHE A 46 3.617 -3.178 10.684 1.00 10.00 H new ATOM 0 HE1 PHE A 46 2.465 1.377 12.293 1.00 10.00 H new ATOM 0 HE2 PHE A 46 4.598 -1.184 9.575 1.00 10.00 H new ATOM 0 HZ PHE A 46 3.956 1.099 10.325 1.00 10.00 H new ATOM 699 N THR A 47 1.620 -1.987 15.735 1.00 10.00 N ATOM 700 CA THR A 47 0.920 -1.273 16.809 1.00 10.00 C ATOM 701 C THR A 47 0.261 0.014 16.281 1.00 10.00 C ATOM 702 O THR A 47 0.222 1.019 16.983 1.00 10.00 O ATOM 703 CB THR A 47 1.904 -1.042 17.976 1.00 10.00 C ATOM 704 OG1 THR A 47 2.540 -2.269 18.286 1.00 10.00 O ATOM 705 CG2 THR A 47 1.251 -0.565 19.281 1.00 10.00 C ATOM 0 H THR A 47 2.586 -1.686 15.603 1.00 10.00 H new ATOM 0 HA THR A 47 0.095 -1.873 17.193 1.00 10.00 H new ATOM 0 HB THR A 47 2.583 -0.262 17.630 1.00 10.00 H new ATOM 0 HG1 THR A 47 3.169 -2.134 19.025 1.00 10.00 H new ATOM 0 HG21 THR A 47 2.018 -0.430 20.043 1.00 10.00 H new ATOM 0 HG22 THR A 47 0.741 0.382 19.107 1.00 10.00 H new ATOM 0 HG23 THR A 47 0.530 -1.309 19.620 1.00 10.00 H new ATOM 713 N TYR A 48 -0.281 -0.036 15.054 1.00 10.00 N ATOM 714 CA TYR A 48 -0.889 1.063 14.316 1.00 10.00 C ATOM 715 C TYR A 48 0.151 2.134 13.971 1.00 10.00 C ATOM 716 O TYR A 48 1.146 2.283 14.674 1.00 10.00 O ATOM 717 CB TYR A 48 -2.098 1.620 15.089 1.00 10.00 C ATOM 718 CG TYR A 48 -3.074 0.563 15.586 1.00 10.00 C ATOM 719 CD1 TYR A 48 -4.049 0.049 14.714 1.00 10.00 C ATOM 720 CD2 TYR A 48 -2.967 0.039 16.890 1.00 10.00 C ATOM 721 CE1 TYR A 48 -4.882 -1.006 15.126 1.00 10.00 C ATOM 722 CE2 TYR A 48 -3.766 -1.049 17.285 1.00 10.00 C ATOM 723 CZ TYR A 48 -4.717 -1.578 16.397 1.00 10.00 C ATOM 724 OH TYR A 48 -5.495 -2.634 16.768 1.00 10.00 O ATOM 0 H TYR A 48 -0.303 -0.907 14.523 1.00 10.00 H new ATOM 0 HA TYR A 48 -1.267 0.691 13.364 1.00 10.00 H new ATOM 0 HB2 TYR A 48 -1.735 2.191 15.944 1.00 10.00 H new ATOM 0 HB3 TYR A 48 -2.634 2.317 14.445 1.00 10.00 H new ATOM 0 HD1 TYR A 48 -4.159 0.466 13.724 1.00 10.00 H new ATOM 0 HD2 TYR A 48 -2.268 0.475 17.589 1.00 10.00 H new ATOM 0 HE1 TYR A 48 -5.650 -1.377 14.463 1.00 10.00 H new ATOM 0 HE2 TYR A 48 -3.648 -1.477 18.270 1.00 10.00 H new ATOM 0 HH TYR A 48 -5.256 -2.914 17.676 1.00 10.00 H new ATOM 734 N THR A 49 -0.040 2.848 12.855 1.00 10.00 N ATOM 735 CA THR A 49 0.836 3.968 12.534 1.00 10.00 C ATOM 736 C THR A 49 0.409 5.166 13.392 1.00 10.00 C ATOM 737 O THR A 49 1.008 5.421 14.432 1.00 10.00 O ATOM 738 CB THR A 49 0.925 4.222 11.012 1.00 10.00 C ATOM 739 OG1 THR A 49 1.418 3.072 10.349 1.00 10.00 O ATOM 740 CG2 THR A 49 1.867 5.379 10.674 1.00 10.00 C ATOM 0 H THR A 49 -0.779 2.671 12.175 1.00 10.00 H new ATOM 0 HA THR A 49 1.871 3.745 12.793 1.00 10.00 H new ATOM 0 HB THR A 49 -0.085 4.467 10.683 1.00 10.00 H new ATOM 0 HG1 THR A 49 1.709 2.412 11.012 1.00 10.00 H new ATOM 0 HG21 THR A 49 1.897 5.520 9.594 1.00 10.00 H new ATOM 0 HG22 THR A 49 1.507 6.292 11.149 1.00 10.00 H new ATOM 0 HG23 THR A 49 2.869 5.151 11.038 1.00 10.00 H new ATOM 748 N ASP A 50 -0.670 5.838 12.977 1.00 10.00 N ATOM 749 CA ASP A 50 -1.325 6.983 13.613 1.00 10.00 C ATOM 750 C ASP A 50 -2.269 7.600 12.577 1.00 10.00 C ATOM 751 O ASP A 50 -3.462 7.281 12.551 1.00 10.00 O ATOM 752 CB ASP A 50 -0.370 8.008 14.277 1.00 10.00 C ATOM 753 CG ASP A 50 0.861 8.452 13.490 1.00 10.00 C ATOM 754 OD1 ASP A 50 0.840 8.296 12.251 1.00 10.00 O ATOM 755 OD2 ASP A 50 1.784 8.985 14.139 1.00 10.00 O ATOM 0 H ASP A 50 -1.146 5.572 12.115 1.00 10.00 H new ATOM 0 HA ASP A 50 -1.889 6.627 14.475 1.00 10.00 H new ATOM 0 HB2 ASP A 50 -0.951 8.898 14.519 1.00 10.00 H new ATOM 0 HB3 ASP A 50 -0.028 7.584 15.221 1.00 10.00 H new ATOM 760 N ALA A 51 -1.721 8.389 11.654 1.00 10.00 N ATOM 761 CA ALA A 51 -2.397 8.938 10.492 1.00 10.00 C ATOM 762 C ALA A 51 -3.190 7.854 9.774 1.00 10.00 C ATOM 763 O ALA A 51 -4.310 8.093 9.326 1.00 10.00 O ATOM 764 CB ALA A 51 -1.364 9.546 9.543 1.00 10.00 C ATOM 0 H ALA A 51 -0.743 8.674 11.704 1.00 10.00 H new ATOM 0 HA ALA A 51 -3.091 9.712 10.819 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -1.870 9.958 8.670 1.00 10.00 H new ATOM 0 HB2 ALA A 51 -0.821 10.340 10.056 1.00 10.00 H new ATOM 0 HB3 ALA A 51 -0.663 8.774 9.225 1.00 10.00 H new ATOM 770 N ASN A 52 -2.625 6.644 9.669 1.00 10.00 N ATOM 771 CA ASN A 52 -3.317 5.602 8.932 1.00 10.00 C ATOM 772 C ASN A 52 -4.655 5.251 9.589 1.00 10.00 C ATOM 773 O ASN A 52 -5.655 5.095 8.897 1.00 10.00 O ATOM 774 CB ASN A 52 -2.444 4.364 8.731 1.00 10.00 C ATOM 775 CG ASN A 52 -3.101 3.453 7.698 1.00 10.00 C ATOM 776 OD1 ASN A 52 -3.541 3.919 6.651 1.00 10.00 O ATOM 777 ND2 ASN A 52 -3.224 2.169 8.002 1.00 10.00 N ATOM 0 H ASN A 52 -1.726 6.377 10.071 1.00 10.00 H new ATOM 0 HA ASN A 52 -3.532 5.998 7.940 1.00 10.00 H new ATOM 0 HB2 ASN A 52 -1.449 4.656 8.396 1.00 10.00 H new ATOM 0 HB3 ASN A 52 -2.320 3.834 9.675 1.00 10.00 H new ATOM 0 HD21 ASN A 52 -3.696 1.535 7.357 1.00 10.00 H new ATOM 0 HD22 ASN A 52 -2.847 1.815 8.881 1.00 10.00 H new ATOM 784 N LYS A 53 -4.707 5.158 10.923 1.00 10.00 N ATOM 785 CA LYS A 53 -5.975 4.946 11.617 1.00 10.00 C ATOM 786 C LYS A 53 -6.838 6.191 11.477 1.00 10.00 C ATOM 787 O LYS A 53 -8.048 6.092 11.288 1.00 10.00 O ATOM 788 CB LYS A 53 -5.734 4.572 13.091 1.00 10.00 C ATOM 789 CG LYS A 53 -6.831 3.652 13.668 1.00 10.00 C ATOM 790 CD LYS A 53 -8.059 4.369 14.251 1.00 10.00 C ATOM 791 CE LYS A 53 -7.765 4.960 15.639 1.00 10.00 C ATOM 792 NZ LYS A 53 -8.990 5.464 16.296 1.00 10.00 N ATOM 0 H LYS A 53 -3.894 5.226 11.535 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.506 4.109 11.164 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -4.768 4.076 13.181 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -5.681 5.483 13.687 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -7.166 2.978 12.880 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -6.388 3.034 14.449 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -8.371 5.165 13.575 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -8.890 3.668 14.323 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -7.304 4.198 16.267 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -7.045 5.772 15.542 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -8.748 5.854 17.229 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -9.417 6.209 15.709 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -9.668 4.684 16.412 1.00 10.00 H new ATOM 806 N ASN A 54 -6.203 7.361 11.553 1.00 10.00 N ATOM 807 CA ASN A 54 -6.880 8.632 11.361 1.00 10.00 C ATOM 808 C ASN A 54 -7.638 8.687 10.030 1.00 10.00 C ATOM 809 O ASN A 54 -8.670 9.345 9.950 1.00 10.00 O ATOM 810 CB ASN A 54 -5.876 9.787 11.483 1.00 10.00 C ATOM 811 CG ASN A 54 -6.515 10.992 12.153 1.00 10.00 C ATOM 812 OD1 ASN A 54 -6.884 11.964 11.503 1.00 10.00 O ATOM 813 ND2 ASN A 54 -6.637 10.932 13.477 1.00 10.00 N ATOM 0 H ASN A 54 -5.206 7.448 11.749 1.00 10.00 H new ATOM 0 HA ASN A 54 -7.628 8.736 12.147 1.00 10.00 H new ATOM 0 HB2 ASN A 54 -5.010 9.462 12.060 1.00 10.00 H new ATOM 0 HB3 ASN A 54 -5.514 10.066 10.493 1.00 10.00 H new ATOM 0 HD21 ASN A 54 -7.050 11.713 13.987 1.00 10.00 H new ATOM 0 HD22 ASN A 54 -6.318 10.105 13.982 1.00 10.00 H new ATOM 820 N LYS A 55 -7.140 8.006 8.987 1.00 10.00 N ATOM 821 CA LYS A 55 -7.741 8.067 7.660 1.00 10.00 C ATOM 822 C LYS A 55 -9.143 7.461 7.653 1.00 10.00 C ATOM 823 O LYS A 55 -10.111 8.096 7.244 1.00 10.00 O ATOM 824 CB LYS A 55 -6.821 7.377 6.642 1.00 10.00 C ATOM 825 CG LYS A 55 -7.129 7.877 5.220 1.00 10.00 C ATOM 826 CD LYS A 55 -5.891 7.923 4.310 1.00 10.00 C ATOM 827 CE LYS A 55 -5.481 6.551 3.755 1.00 10.00 C ATOM 828 NZ LYS A 55 -5.513 6.521 2.278 1.00 10.00 N ATOM 0 H LYS A 55 -6.318 7.405 9.045 1.00 10.00 H new ATOM 0 HA LYS A 55 -7.851 9.113 7.374 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.779 7.579 6.888 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -6.957 6.297 6.692 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.879 7.228 4.769 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.565 8.874 5.279 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -6.088 8.598 3.477 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -5.055 8.343 4.870 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -4.477 6.305 4.101 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -6.150 5.786 4.148 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -5.165 5.600 1.942 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -6.489 6.663 1.949 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -4.907 7.278 1.902 1.00 10.00 H new ATOM 842 N GLY A 56 -9.238 6.205 8.082 1.00 10.00 N ATOM 843 CA GLY A 56 -10.492 5.526 8.333 1.00 10.00 C ATOM 844 C GLY A 56 -11.266 5.159 7.065 1.00 10.00 C ATOM 845 O GLY A 56 -12.484 4.972 7.120 1.00 10.00 O ATOM 0 H GLY A 56 -8.421 5.623 8.267 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -10.294 4.617 8.901 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -11.119 6.162 8.958 1.00 10.00 H new ATOM 849 N ILE A 57 -10.573 5.005 5.933 1.00 10.00 N ATOM 850 CA ILE A 57 -11.161 4.587 4.660 1.00 10.00 C ATOM 851 C ILE A 57 -11.027 3.075 4.500 1.00 10.00 C ATOM 852 O ILE A 57 -10.566 2.407 5.425 1.00 10.00 O ATOM 853 CB ILE A 57 -10.572 5.395 3.483 1.00 10.00 C ATOM 854 CG1 ILE A 57 -9.057 5.246 3.260 1.00 10.00 C ATOM 855 CG2 ILE A 57 -10.916 6.873 3.710 1.00 10.00 C ATOM 856 CD1 ILE A 57 -8.615 3.957 2.555 1.00 10.00 C ATOM 0 H ILE A 57 -9.568 5.171 5.876 1.00 10.00 H new ATOM 0 HA ILE A 57 -12.228 4.810 4.656 1.00 10.00 H new ATOM 0 HB ILE A 57 -11.021 4.988 2.577 1.00 10.00 H new ATOM 0 HG12 ILE A 57 -8.708 6.097 2.675 1.00 10.00 H new ATOM 0 HG13 ILE A 57 -8.558 5.299 4.228 1.00 10.00 H new ATOM 0 HG21 ILE A 57 -10.512 7.470 2.893 1.00 10.00 H new ATOM 0 HG22 ILE A 57 -11.999 6.993 3.747 1.00 10.00 H new ATOM 0 HG23 ILE A 57 -10.482 7.207 4.652 1.00 10.00 H new ATOM 0 HD11 ILE A 57 -7.530 3.954 2.449 1.00 10.00 H new ATOM 0 HD12 ILE A 57 -8.924 3.095 3.146 1.00 10.00 H new ATOM 0 HD13 ILE A 57 -9.076 3.905 1.569 1.00 10.00 H new ATOM 868 N THR A 58 -11.430 2.544 3.342 1.00 10.00 N ATOM 869 CA THR A 58 -11.318 1.134 3.000 1.00 10.00 C ATOM 870 C THR A 58 -10.422 0.996 1.768 1.00 10.00 C ATOM 871 O THR A 58 -10.512 1.793 0.829 1.00 10.00 O ATOM 872 CB THR A 58 -12.713 0.547 2.742 1.00 10.00 C ATOM 873 OG1 THR A 58 -13.622 0.981 3.740 1.00 10.00 O ATOM 874 CG2 THR A 58 -12.683 -0.986 2.745 1.00 10.00 C ATOM 0 H THR A 58 -11.853 3.103 2.601 1.00 10.00 H new ATOM 0 HA THR A 58 -10.871 0.579 3.825 1.00 10.00 H new ATOM 0 HB THR A 58 -13.035 0.897 1.761 1.00 10.00 H new ATOM 0 HG1 THR A 58 -14.508 0.601 3.563 1.00 10.00 H new ATOM 0 HG21 THR A 58 -13.686 -1.370 2.560 1.00 10.00 H new ATOM 0 HG22 THR A 58 -12.009 -1.338 1.964 1.00 10.00 H new ATOM 0 HG23 THR A 58 -12.332 -1.341 3.714 1.00 10.00 H new ATOM 882 N TRP A 59 -9.551 -0.009 1.772 1.00 10.00 N ATOM 883 CA TRP A 59 -8.686 -0.286 0.638 1.00 10.00 C ATOM 884 C TRP A 59 -9.432 -1.165 -0.367 1.00 10.00 C ATOM 885 O TRP A 59 -10.131 -2.101 0.028 1.00 10.00 O ATOM 886 CB TRP A 59 -7.399 -0.927 1.139 1.00 10.00 C ATOM 887 CG TRP A 59 -6.651 -0.088 2.129 1.00 10.00 C ATOM 888 CD1 TRP A 59 -6.559 -0.332 3.458 1.00 10.00 C ATOM 889 CD2 TRP A 59 -5.918 1.155 1.895 1.00 10.00 C ATOM 890 NE1 TRP A 59 -5.722 0.608 4.029 1.00 10.00 N ATOM 891 CE2 TRP A 59 -5.360 1.586 3.131 1.00 10.00 C ATOM 892 CE3 TRP A 59 -5.671 1.968 0.766 1.00 10.00 C ATOM 893 CZ2 TRP A 59 -4.594 2.756 3.246 1.00 10.00 C ATOM 894 CZ3 TRP A 59 -4.864 3.118 0.859 1.00 10.00 C ATOM 895 CH2 TRP A 59 -4.302 3.496 2.091 1.00 10.00 C ATOM 0 H TRP A 59 -9.428 -0.648 2.557 1.00 10.00 H new ATOM 0 HA TRP A 59 -8.414 0.634 0.121 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -7.637 -1.887 1.597 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -6.751 -1.132 0.287 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -7.058 -1.131 3.986 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.410 0.580 5.000 1.00 10.00 H new ATOM 0 HE3 TRP A 59 -6.109 1.703 -0.185 1.00 10.00 H new ATOM 0 HZ2 TRP A 59 -4.234 3.082 4.211 1.00 10.00 H new ATOM 0 HZ3 TRP A 59 -4.675 3.714 -0.022 1.00 10.00 H new ATOM 0 HH2 TRP A 59 -3.648 4.353 2.148 1.00 10.00 H new ATOM 906 N LYS A 60 -9.298 -0.849 -1.662 1.00 10.00 N ATOM 907 CA LYS A 60 -10.045 -1.508 -2.732 1.00 10.00 C ATOM 908 C LYS A 60 -9.310 -1.442 -4.078 1.00 10.00 C ATOM 909 O LYS A 60 -9.062 -2.480 -4.680 1.00 10.00 O ATOM 910 CB LYS A 60 -11.477 -0.951 -2.807 1.00 10.00 C ATOM 911 CG LYS A 60 -11.570 0.585 -2.768 1.00 10.00 C ATOM 912 CD LYS A 60 -13.022 1.076 -2.759 1.00 10.00 C ATOM 913 CE LYS A 60 -13.775 0.638 -4.024 1.00 10.00 C ATOM 914 NZ LYS A 60 -14.986 1.449 -4.251 1.00 10.00 N ATOM 0 H LYS A 60 -8.663 -0.123 -1.995 1.00 10.00 H new ATOM 0 HA LYS A 60 -10.118 -2.569 -2.492 1.00 10.00 H new ATOM 0 HB2 LYS A 60 -11.944 -1.307 -3.726 1.00 10.00 H new ATOM 0 HB3 LYS A 60 -12.055 -1.358 -1.977 1.00 10.00 H new ATOM 0 HG2 LYS A 60 -11.057 0.956 -1.881 1.00 10.00 H new ATOM 0 HG3 LYS A 60 -11.053 1.001 -3.633 1.00 10.00 H new ATOM 0 HD2 LYS A 60 -13.533 0.687 -1.878 1.00 10.00 H new ATOM 0 HD3 LYS A 60 -13.039 2.163 -2.683 1.00 10.00 H new ATOM 0 HE2 LYS A 60 -13.115 0.722 -4.887 1.00 10.00 H new ATOM 0 HE3 LYS A 60 -14.053 -0.412 -3.936 1.00 10.00 H new ATOM 0 HZ1 LYS A 60 -15.696 0.880 -4.754 1.00 10.00 H new ATOM 0 HZ2 LYS A 60 -15.374 1.757 -3.337 1.00 10.00 H new ATOM 0 HZ3 LYS A 60 -14.743 2.283 -4.822 1.00 10.00 H new ATOM 928 N GLU A 61 -8.951 -0.230 -4.520 1.00 10.00 N ATOM 929 CA GLU A 61 -8.145 0.071 -5.704 1.00 10.00 C ATOM 930 C GLU A 61 -8.129 1.582 -5.938 1.00 10.00 C ATOM 931 O GLU A 61 -7.052 2.169 -5.991 1.00 10.00 O ATOM 932 CB GLU A 61 -8.527 -0.728 -6.962 1.00 10.00 C ATOM 933 CG GLU A 61 -10.025 -0.758 -7.316 1.00 10.00 C ATOM 934 CD GLU A 61 -10.309 -1.887 -8.298 1.00 10.00 C ATOM 935 OE1 GLU A 61 -9.747 -1.862 -9.413 1.00 10.00 O ATOM 936 OE2 GLU A 61 -11.001 -2.864 -7.931 1.00 10.00 O ATOM 0 H GLU A 61 -9.235 0.617 -4.028 1.00 10.00 H new ATOM 0 HA GLU A 61 -7.130 -0.268 -5.496 1.00 10.00 H new ATOM 0 HB2 GLU A 61 -7.982 -0.314 -7.810 1.00 10.00 H new ATOM 0 HB3 GLU A 61 -8.184 -1.755 -6.834 1.00 10.00 H new ATOM 0 HG2 GLU A 61 -10.618 -0.895 -6.411 1.00 10.00 H new ATOM 0 HG3 GLU A 61 -10.323 0.196 -7.751 1.00 10.00 H new ATOM 943 N GLU A 62 -9.306 2.218 -5.997 1.00 10.00 N ATOM 944 CA GLU A 62 -9.457 3.673 -6.069 1.00 10.00 C ATOM 945 C GLU A 62 -8.506 4.381 -5.103 1.00 10.00 C ATOM 946 O GLU A 62 -7.684 5.209 -5.491 1.00 10.00 O ATOM 947 CB GLU A 62 -10.892 4.067 -5.686 1.00 10.00 C ATOM 948 CG GLU A 62 -11.950 3.671 -6.715 1.00 10.00 C ATOM 949 CD GLU A 62 -13.326 4.081 -6.213 1.00 10.00 C ATOM 950 OE1 GLU A 62 -13.738 3.499 -5.184 1.00 10.00 O ATOM 951 OE2 GLU A 62 -13.942 4.963 -6.841 1.00 10.00 O ATOM 0 H GLU A 62 -10.198 1.723 -5.996 1.00 10.00 H new ATOM 0 HA GLU A 62 -9.227 3.974 -7.091 1.00 10.00 H new ATOM 0 HB2 GLU A 62 -11.140 3.604 -4.731 1.00 10.00 H new ATOM 0 HB3 GLU A 62 -10.932 5.146 -5.538 1.00 10.00 H new ATOM 0 HG2 GLU A 62 -11.741 4.153 -7.670 1.00 10.00 H new ATOM 0 HG3 GLU A 62 -11.920 2.595 -6.887 1.00 10.00 H new ATOM 958 N THR A 63 -8.644 4.055 -3.818 1.00 10.00 N ATOM 959 CA THR A 63 -7.905 4.708 -2.763 1.00 10.00 C ATOM 960 C THR A 63 -6.400 4.537 -2.975 1.00 10.00 C ATOM 961 O THR A 63 -5.660 5.516 -2.885 1.00 10.00 O ATOM 962 CB THR A 63 -8.429 4.201 -1.412 1.00 10.00 C ATOM 963 OG1 THR A 63 -8.597 2.791 -1.418 1.00 10.00 O ATOM 964 CG2 THR A 63 -9.803 4.830 -1.124 1.00 10.00 C ATOM 0 H THR A 63 -9.277 3.326 -3.489 1.00 10.00 H new ATOM 0 HA THR A 63 -8.063 5.786 -2.776 1.00 10.00 H new ATOM 0 HB THR A 63 -7.698 4.478 -0.652 1.00 10.00 H new ATOM 0 HG1 THR A 63 -9.217 2.532 -0.704 1.00 10.00 H new ATOM 0 HG21 THR A 63 -10.174 4.470 -0.165 1.00 10.00 H new ATOM 0 HG22 THR A 63 -9.707 5.915 -1.091 1.00 10.00 H new ATOM 0 HG23 THR A 63 -10.503 4.552 -1.912 1.00 10.00 H new ATOM 972 N LEU A 64 -5.947 3.325 -3.311 1.00 10.00 N ATOM 973 CA LEU A 64 -4.563 3.112 -3.717 1.00 10.00 C ATOM 974 C LEU A 64 -4.175 4.001 -4.896 1.00 10.00 C ATOM 975 O LEU A 64 -3.134 4.649 -4.842 1.00 10.00 O ATOM 976 CB LEU A 64 -4.248 1.647 -4.051 1.00 10.00 C ATOM 977 CG LEU A 64 -3.781 0.838 -2.834 1.00 10.00 C ATOM 978 CD1 LEU A 64 -4.868 -0.084 -2.296 1.00 10.00 C ATOM 979 CD2 LEU A 64 -2.573 -0.016 -3.244 1.00 10.00 C ATOM 0 H LEU A 64 -6.520 2.481 -3.308 1.00 10.00 H new ATOM 0 HA LEU A 64 -3.965 3.388 -2.849 1.00 10.00 H new ATOM 0 HB2 LEU A 64 -5.137 1.178 -4.472 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -3.476 1.614 -4.820 1.00 10.00 H new ATOM 0 HG LEU A 64 -3.523 1.545 -2.045 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -4.486 -0.633 -1.436 1.00 10.00 H new ATOM 0 HD12 LEU A 64 -5.731 0.509 -1.994 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -5.165 -0.788 -3.073 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -2.230 -0.597 -2.388 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -2.862 -0.692 -4.049 1.00 10.00 H new ATOM 0 HD23 LEU A 64 -1.768 0.634 -3.587 1.00 10.00 H new ATOM 991 N MET A 65 -4.973 4.029 -5.966 1.00 10.00 N ATOM 992 CA MET A 65 -4.636 4.813 -7.141 1.00 10.00 C ATOM 993 C MET A 65 -4.316 6.264 -6.784 1.00 10.00 C ATOM 994 O MET A 65 -3.420 6.829 -7.410 1.00 10.00 O ATOM 995 CB MET A 65 -5.708 4.710 -8.240 1.00 10.00 C ATOM 996 CG MET A 65 -5.480 3.500 -9.155 1.00 10.00 C ATOM 997 SD MET A 65 -6.068 3.696 -10.859 1.00 10.00 S ATOM 998 CE MET A 65 -7.845 3.479 -10.637 1.00 10.00 C ATOM 0 H MET A 65 -5.853 3.517 -6.036 1.00 10.00 H new ATOM 0 HA MET A 65 -3.726 4.380 -7.556 1.00 10.00 H new ATOM 0 HB2 MET A 65 -6.693 4.635 -7.779 1.00 10.00 H new ATOM 0 HB3 MET A 65 -5.704 5.622 -8.837 1.00 10.00 H new ATOM 0 HG2 MET A 65 -4.413 3.280 -9.179 1.00 10.00 H new ATOM 0 HG3 MET A 65 -5.974 2.634 -8.715 1.00 10.00 H new ATOM 0 HE1 MET A 65 -8.346 3.572 -11.600 1.00 10.00 H new ATOM 0 HE2 MET A 65 -8.042 2.491 -10.220 1.00 10.00 H new ATOM 0 HE3 MET A 65 -8.222 4.242 -9.956 1.00 10.00 H new ATOM 1008 N GLU A 66 -4.977 6.852 -5.785 1.00 10.00 N ATOM 1009 CA GLU A 66 -4.562 8.154 -5.296 1.00 10.00 C ATOM 1010 C GLU A 66 -3.327 7.967 -4.424 1.00 10.00 C ATOM 1011 O GLU A 66 -2.250 8.439 -4.764 1.00 10.00 O ATOM 1012 CB GLU A 66 -5.711 8.818 -4.535 1.00 10.00 C ATOM 1013 CG GLU A 66 -6.589 9.639 -5.490 1.00 10.00 C ATOM 1014 CD GLU A 66 -6.208 11.114 -5.450 1.00 10.00 C ATOM 1015 OE1 GLU A 66 -5.037 11.427 -5.759 1.00 10.00 O ATOM 1016 OE2 GLU A 66 -7.077 11.899 -5.010 1.00 10.00 O ATOM 0 H GLU A 66 -5.786 6.451 -5.311 1.00 10.00 H new ATOM 0 HA GLU A 66 -4.306 8.816 -6.124 1.00 10.00 H new ATOM 0 HB2 GLU A 66 -6.315 8.057 -4.041 1.00 10.00 H new ATOM 0 HB3 GLU A 66 -5.311 9.464 -3.754 1.00 10.00 H new ATOM 0 HG2 GLU A 66 -6.481 9.259 -6.506 1.00 10.00 H new ATOM 0 HG3 GLU A 66 -7.638 9.523 -5.216 1.00 10.00 H new ATOM 1023 N TYR A 67 -3.475 7.256 -3.309 1.00 10.00 N ATOM 1024 CA TYR A 67 -2.461 7.090 -2.276 1.00 10.00 C ATOM 1025 C TYR A 67 -1.044 6.866 -2.824 1.00 10.00 C ATOM 1026 O TYR A 67 -0.094 7.470 -2.337 1.00 10.00 O ATOM 1027 CB TYR A 67 -2.901 5.930 -1.383 1.00 10.00 C ATOM 1028 CG TYR A 67 -2.117 5.774 -0.096 1.00 10.00 C ATOM 1029 CD1 TYR A 67 -2.197 6.757 0.908 1.00 10.00 C ATOM 1030 CD2 TYR A 67 -1.300 4.645 0.096 1.00 10.00 C ATOM 1031 CE1 TYR A 67 -1.469 6.611 2.102 1.00 10.00 C ATOM 1032 CE2 TYR A 67 -0.560 4.509 1.281 1.00 10.00 C ATOM 1033 CZ TYR A 67 -0.632 5.495 2.279 1.00 10.00 C ATOM 1034 OH TYR A 67 0.159 5.391 3.384 1.00 10.00 O ATOM 0 H TYR A 67 -4.340 6.761 -3.094 1.00 10.00 H new ATOM 0 HA TYR A 67 -2.389 8.019 -1.710 1.00 10.00 H new ATOM 0 HB2 TYR A 67 -3.954 6.063 -1.135 1.00 10.00 H new ATOM 0 HB3 TYR A 67 -2.822 5.004 -1.952 1.00 10.00 H new ATOM 0 HD1 TYR A 67 -2.820 7.627 0.761 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.242 3.884 -0.668 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -1.552 7.354 2.881 1.00 10.00 H new ATOM 0 HE2 TYR A 67 0.068 3.642 1.426 1.00 10.00 H new ATOM 0 HH TYR A 67 0.670 4.556 3.343 1.00 10.00 H new ATOM 1044 N LEU A 68 -0.889 6.006 -3.831 1.00 10.00 N ATOM 1045 CA LEU A 68 0.403 5.707 -4.438 1.00 10.00 C ATOM 1046 C LEU A 68 0.956 6.894 -5.240 1.00 10.00 C ATOM 1047 O LEU A 68 2.163 7.125 -5.232 1.00 10.00 O ATOM 1048 CB LEU A 68 0.281 4.466 -5.333 1.00 10.00 C ATOM 1049 CG LEU A 68 -0.201 3.195 -4.617 1.00 10.00 C ATOM 1050 CD1 LEU A 68 -0.313 2.075 -5.659 1.00 10.00 C ATOM 1051 CD2 LEU A 68 0.703 2.772 -3.454 1.00 10.00 C ATOM 0 H LEU A 68 -1.665 5.494 -4.250 1.00 10.00 H new ATOM 0 HA LEU A 68 1.110 5.509 -3.633 1.00 10.00 H new ATOM 0 HB2 LEU A 68 -0.408 4.690 -6.147 1.00 10.00 H new ATOM 0 HB3 LEU A 68 1.253 4.265 -5.784 1.00 10.00 H new ATOM 0 HG LEU A 68 -1.171 3.404 -4.166 1.00 10.00 H new ATOM 0 HD11 LEU A 68 -0.654 1.160 -5.175 1.00 10.00 H new ATOM 0 HD12 LEU A 68 -1.027 2.365 -6.430 1.00 10.00 H new ATOM 0 HD13 LEU A 68 0.662 1.903 -6.114 1.00 10.00 H new ATOM 0 HD21 LEU A 68 0.304 1.868 -2.993 1.00 10.00 H new ATOM 0 HD22 LEU A 68 1.708 2.576 -3.827 1.00 10.00 H new ATOM 0 HD23 LEU A 68 0.740 3.571 -2.713 1.00 10.00 H new ATOM 1063 N GLU A 69 0.085 7.635 -5.934 1.00 10.00 N ATOM 1064 CA GLU A 69 0.439 8.801 -6.745 1.00 10.00 C ATOM 1065 C GLU A 69 0.267 10.112 -5.967 1.00 10.00 C ATOM 1066 O GLU A 69 0.494 11.196 -6.494 1.00 10.00 O ATOM 1067 CB GLU A 69 -0.375 8.777 -8.055 1.00 10.00 C ATOM 1068 CG GLU A 69 0.520 8.585 -9.289 1.00 10.00 C ATOM 1069 CD GLU A 69 1.184 9.878 -9.735 1.00 10.00 C ATOM 1070 OE1 GLU A 69 2.179 10.257 -9.088 1.00 10.00 O ATOM 1071 OE2 GLU A 69 0.694 10.431 -10.743 1.00 10.00 O ATOM 0 H GLU A 69 -0.915 7.432 -5.946 1.00 10.00 H new ATOM 0 HA GLU A 69 1.498 8.750 -6.999 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -1.108 7.972 -8.011 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -0.931 9.709 -8.153 1.00 10.00 H new ATOM 0 HG2 GLU A 69 1.288 7.845 -9.065 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -0.078 8.186 -10.109 1.00 10.00 H new ATOM 1078 N ASN A 70 -0.141 10.027 -4.701 1.00 10.00 N ATOM 1079 CA ASN A 70 -0.500 11.183 -3.901 1.00 10.00 C ATOM 1080 C ASN A 70 -0.376 10.838 -2.406 1.00 10.00 C ATOM 1081 O ASN A 70 -1.288 11.107 -1.622 1.00 10.00 O ATOM 1082 CB ASN A 70 -1.928 11.591 -4.329 1.00 10.00 C ATOM 1083 CG ASN A 70 -2.099 13.060 -4.698 1.00 10.00 C ATOM 1084 OD1 ASN A 70 -1.248 13.905 -4.433 1.00 10.00 O ATOM 1085 ND2 ASN A 70 -3.223 13.383 -5.328 1.00 10.00 N ATOM 0 H ASN A 70 -0.230 9.141 -4.203 1.00 10.00 H new ATOM 0 HA ASN A 70 0.167 12.030 -4.061 1.00 10.00 H new ATOM 0 HB2 ASN A 70 -2.222 10.981 -5.183 1.00 10.00 H new ATOM 0 HB3 ASN A 70 -2.615 11.354 -3.517 1.00 10.00 H new ATOM 0 HD21 ASN A 70 -3.394 14.350 -5.602 1.00 10.00 H new ATOM 0 HD22 ASN A 70 -3.915 12.664 -5.537 1.00 10.00 H new ATOM 1092 N PRO A 71 0.751 10.243 -1.968 1.00 10.00 N ATOM 1093 CA PRO A 71 0.915 9.840 -0.580 1.00 10.00 C ATOM 1094 C PRO A 71 0.980 11.084 0.299 1.00 10.00 C ATOM 1095 O PRO A 71 0.298 11.169 1.318 1.00 10.00 O ATOM 1096 CB PRO A 71 2.196 9.003 -0.524 1.00 10.00 C ATOM 1097 CG PRO A 71 2.997 9.461 -1.741 1.00 10.00 C ATOM 1098 CD PRO A 71 1.933 9.895 -2.746 1.00 10.00 C ATOM 0 HA PRO A 71 0.081 9.245 -0.209 1.00 10.00 H new ATOM 0 HB2 PRO A 71 2.745 9.176 0.402 1.00 10.00 H new ATOM 0 HB3 PRO A 71 1.977 7.936 -0.570 1.00 10.00 H new ATOM 0 HG2 PRO A 71 3.667 10.283 -1.490 1.00 10.00 H new ATOM 0 HG3 PRO A 71 3.615 8.655 -2.138 1.00 10.00 H new ATOM 0 HD2 PRO A 71 2.277 10.747 -3.332 1.00 10.00 H new ATOM 0 HD3 PRO A 71 1.713 9.092 -3.450 1.00 10.00 H new ATOM 1106 N LYS A 72 1.752 12.087 -0.132 1.00 10.00 N ATOM 1107 CA LYS A 72 1.829 13.378 0.534 1.00 10.00 C ATOM 1108 C LYS A 72 0.611 14.239 0.178 1.00 10.00 C ATOM 1109 O LYS A 72 0.742 15.371 -0.280 1.00 10.00 O ATOM 1110 CB LYS A 72 3.193 14.059 0.300 1.00 10.00 C ATOM 1111 CG LYS A 72 3.617 14.452 -1.130 1.00 10.00 C ATOM 1112 CD LYS A 72 3.896 13.243 -2.035 1.00 10.00 C ATOM 1113 CE LYS A 72 5.088 13.417 -2.992 1.00 10.00 C ATOM 1114 NZ LYS A 72 6.374 13.024 -2.371 1.00 10.00 N ATOM 0 H LYS A 72 2.343 12.018 -0.960 1.00 10.00 H new ATOM 0 HA LYS A 72 1.781 13.230 1.613 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.213 14.965 0.906 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.961 13.394 0.696 1.00 10.00 H new ATOM 0 HG2 LYS A 72 2.832 15.060 -1.580 1.00 10.00 H new ATOM 0 HG3 LYS A 72 4.512 15.073 -1.079 1.00 10.00 H new ATOM 0 HD2 LYS A 72 4.076 12.370 -1.407 1.00 10.00 H new ATOM 0 HD3 LYS A 72 3.003 13.033 -2.624 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.922 12.818 -3.887 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.145 14.458 -3.311 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.054 12.767 -3.114 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 6.750 13.821 -1.818 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.222 12.209 -1.744 1.00 10.00 H new ATOM 1128 N LYS A 73 -0.582 13.682 0.394 1.00 10.00 N ATOM 1129 CA LYS A 73 -1.856 14.327 0.122 1.00 10.00 C ATOM 1130 C LYS A 73 -2.910 13.731 1.052 1.00 10.00 C ATOM 1131 O LYS A 73 -3.553 14.453 1.813 1.00 10.00 O ATOM 1132 CB LYS A 73 -2.229 14.154 -1.361 1.00 10.00 C ATOM 1133 CG LYS A 73 -3.159 15.266 -1.858 1.00 10.00 C ATOM 1134 CD LYS A 73 -2.342 16.532 -2.173 1.00 10.00 C ATOM 1135 CE LYS A 73 -3.035 17.817 -1.703 1.00 10.00 C ATOM 1136 NZ LYS A 73 -4.309 18.067 -2.409 1.00 10.00 N ATOM 0 H LYS A 73 -0.685 12.741 0.775 1.00 10.00 H new ATOM 0 HA LYS A 73 -1.792 15.399 0.312 1.00 10.00 H new ATOM 0 HB2 LYS A 73 -1.321 14.146 -1.964 1.00 10.00 H new ATOM 0 HB3 LYS A 73 -2.713 13.188 -1.502 1.00 10.00 H new ATOM 0 HG2 LYS A 73 -3.691 14.935 -2.750 1.00 10.00 H new ATOM 0 HG3 LYS A 73 -3.912 15.488 -1.101 1.00 10.00 H new ATOM 0 HD2 LYS A 73 -1.365 16.456 -1.697 1.00 10.00 H new ATOM 0 HD3 LYS A 73 -2.169 16.590 -3.248 1.00 10.00 H new ATOM 0 HE2 LYS A 73 -3.224 17.752 -0.632 1.00 10.00 H new ATOM 0 HE3 LYS A 73 -2.366 18.664 -1.858 1.00 10.00 H new ATOM 0 HZ1 LYS A 73 -4.736 18.946 -2.054 1.00 10.00 H new ATOM 0 HZ2 LYS A 73 -4.129 18.157 -3.429 1.00 10.00 H new ATOM 0 HZ3 LYS A 73 -4.960 17.274 -2.241 1.00 10.00 H new ATOM 1150 N TYR A 74 -3.067 12.405 1.016 1.00 10.00 N ATOM 1151 CA TYR A 74 -4.011 11.689 1.866 1.00 10.00 C ATOM 1152 C TYR A 74 -3.477 11.611 3.302 1.00 10.00 C ATOM 1153 O TYR A 74 -3.085 10.541 3.762 1.00 10.00 O ATOM 1154 CB TYR A 74 -4.323 10.311 1.258 1.00 10.00 C ATOM 1155 CG TYR A 74 -5.324 10.356 0.116 1.00 10.00 C ATOM 1156 CD1 TYR A 74 -4.987 11.012 -1.080 1.00 10.00 C ATOM 1157 CD2 TYR A 74 -6.636 9.874 0.294 1.00 10.00 C ATOM 1158 CE1 TYR A 74 -5.979 11.299 -2.030 1.00 10.00 C ATOM 1159 CE2 TYR A 74 -7.596 10.050 -0.718 1.00 10.00 C ATOM 1160 CZ TYR A 74 -7.277 10.784 -1.874 1.00 10.00 C ATOM 1161 OH TYR A 74 -8.232 10.996 -2.820 1.00 10.00 O ATOM 0 H TYR A 74 -2.537 11.798 0.391 1.00 10.00 H new ATOM 0 HA TYR A 74 -4.955 12.232 1.916 1.00 10.00 H new ATOM 0 HB2 TYR A 74 -3.396 9.865 0.898 1.00 10.00 H new ATOM 0 HB3 TYR A 74 -4.708 9.658 2.041 1.00 10.00 H new ATOM 0 HD1 TYR A 74 -3.962 11.296 -1.269 1.00 10.00 H new ATOM 0 HD2 TYR A 74 -6.905 9.368 1.210 1.00 10.00 H new ATOM 0 HE1 TYR A 74 -5.744 11.918 -2.884 1.00 10.00 H new ATOM 0 HE2 TYR A 74 -8.581 9.620 -0.607 1.00 10.00 H new ATOM 0 HH TYR A 74 -7.880 11.594 -3.512 1.00 10.00 H new ATOM 1171 N ILE A 75 -3.513 12.755 3.995 1.00 10.00 N ATOM 1172 CA ILE A 75 -3.130 12.963 5.391 1.00 10.00 C ATOM 1173 C ILE A 75 -1.601 12.907 5.556 1.00 10.00 C ATOM 1174 O ILE A 75 -1.041 11.836 5.791 1.00 10.00 O ATOM 1175 CB ILE A 75 -3.907 12.043 6.358 1.00 10.00 C ATOM 1176 CG1 ILE A 75 -5.425 12.286 6.227 1.00 10.00 C ATOM 1177 CG2 ILE A 75 -3.513 12.315 7.818 1.00 10.00 C ATOM 1178 CD1 ILE A 75 -6.132 11.076 5.628 1.00 10.00 C ATOM 0 H ILE A 75 -3.834 13.620 3.561 1.00 10.00 H new ATOM 0 HA ILE A 75 -3.428 13.971 5.679 1.00 10.00 H new ATOM 0 HB ILE A 75 -3.659 11.015 6.094 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -5.846 12.506 7.208 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -5.602 13.160 5.600 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -4.076 11.653 8.476 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -2.446 12.133 7.947 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -3.737 13.352 8.068 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -7.200 11.280 5.550 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -5.728 10.872 4.636 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -5.975 10.209 6.269 1.00 10.00 H new ATOM 1190 N PRO A 76 -0.903 14.053 5.453 1.00 10.00 N ATOM 1191 CA PRO A 76 0.546 14.121 5.574 1.00 10.00 C ATOM 1192 C PRO A 76 1.016 13.934 7.017 1.00 10.00 C ATOM 1193 O PRO A 76 1.471 14.875 7.662 1.00 10.00 O ATOM 1194 CB PRO A 76 0.949 15.456 4.941 1.00 10.00 C ATOM 1195 CG PRO A 76 -0.265 16.341 5.207 1.00 10.00 C ATOM 1196 CD PRO A 76 -1.440 15.366 5.118 1.00 10.00 C ATOM 0 HA PRO A 76 1.041 13.302 5.053 1.00 10.00 H new ATOM 0 HB2 PRO A 76 1.852 15.862 5.396 1.00 10.00 H new ATOM 0 HB3 PRO A 76 1.148 15.353 3.874 1.00 10.00 H new ATOM 0 HG2 PRO A 76 -0.210 16.815 6.187 1.00 10.00 H new ATOM 0 HG3 PRO A 76 -0.349 17.140 4.470 1.00 10.00 H new ATOM 0 HD2 PRO A 76 -2.235 15.650 5.808 1.00 10.00 H new ATOM 0 HD3 PRO A 76 -1.872 15.367 4.117 1.00 10.00 H new ATOM 1204 N GLY A 77 0.962 12.687 7.490 1.00 10.00 N ATOM 1205 CA GLY A 77 1.568 12.264 8.742 1.00 10.00 C ATOM 1206 C GLY A 77 1.996 10.803 8.644 1.00 10.00 C ATOM 1207 O GLY A 77 1.662 10.005 9.509 1.00 10.00 O ATOM 0 H GLY A 77 0.484 11.932 6.999 1.00 10.00 H new ATOM 0 HA2 GLY A 77 2.431 12.890 8.968 1.00 10.00 H new ATOM 0 HA3 GLY A 77 0.859 12.390 9.560 1.00 10.00 H new ATOM 1211 N THR A 78 2.713 10.444 7.575 1.00 10.00 N ATOM 1212 CA THR A 78 3.201 9.083 7.367 1.00 10.00 C ATOM 1213 C THR A 78 4.728 9.065 7.263 1.00 10.00 C ATOM 1214 O THR A 78 5.381 8.390 8.051 1.00 10.00 O ATOM 1215 CB THR A 78 2.507 8.448 6.148 1.00 10.00 C ATOM 1216 OG1 THR A 78 1.127 8.745 6.168 1.00 10.00 O ATOM 1217 CG2 THR A 78 2.668 6.927 6.143 1.00 10.00 C ATOM 0 H THR A 78 2.970 11.092 6.830 1.00 10.00 H new ATOM 0 HA THR A 78 2.944 8.471 8.232 1.00 10.00 H new ATOM 0 HB THR A 78 2.976 8.861 5.255 1.00 10.00 H new ATOM 0 HG1 THR A 78 0.694 8.339 5.388 1.00 10.00 H new ATOM 0 HG21 THR A 78 2.166 6.511 5.269 1.00 10.00 H new ATOM 0 HG22 THR A 78 3.728 6.673 6.108 1.00 10.00 H new ATOM 0 HG23 THR A 78 2.225 6.511 7.048 1.00 10.00 H new ATOM 1225 N LYS A 79 5.295 9.785 6.284 1.00 10.00 N ATOM 1226 CA LYS A 79 6.730 9.757 5.977 1.00 10.00 C ATOM 1227 C LYS A 79 7.096 10.679 4.809 1.00 10.00 C ATOM 1228 O LYS A 79 8.200 11.211 4.778 1.00 10.00 O ATOM 1229 CB LYS A 79 7.225 8.326 5.702 1.00 10.00 C ATOM 1230 CG LYS A 79 6.406 7.602 4.627 1.00 10.00 C ATOM 1231 CD LYS A 79 6.596 6.090 4.767 1.00 10.00 C ATOM 1232 CE LYS A 79 5.657 5.354 3.805 1.00 10.00 C ATOM 1233 NZ LYS A 79 5.421 3.973 4.248 1.00 10.00 N ATOM 0 H LYS A 79 4.763 10.409 5.677 1.00 10.00 H new ATOM 0 HA LYS A 79 7.237 10.133 6.866 1.00 10.00 H new ATOM 0 HB2 LYS A 79 8.269 8.363 5.391 1.00 10.00 H new ATOM 0 HB3 LYS A 79 7.188 7.751 6.627 1.00 10.00 H new ATOM 0 HG2 LYS A 79 5.351 7.857 4.727 1.00 10.00 H new ATOM 0 HG3 LYS A 79 6.720 7.928 3.635 1.00 10.00 H new ATOM 0 HD2 LYS A 79 7.631 5.824 4.553 1.00 10.00 H new ATOM 0 HD3 LYS A 79 6.393 5.783 5.793 1.00 10.00 H new ATOM 0 HE2 LYS A 79 4.708 5.886 3.741 1.00 10.00 H new ATOM 0 HE3 LYS A 79 6.088 5.349 2.804 1.00 10.00 H new ATOM 0 HZ1 LYS A 79 4.782 3.498 3.579 1.00 10.00 H new ATOM 0 HZ2 LYS A 79 6.326 3.461 4.286 1.00 10.00 H new ATOM 0 HZ3 LYS A 79 4.988 3.981 5.194 1.00 10.00 H new ATOM 1247 N MET A 80 6.181 10.857 3.846 1.00 10.00 N ATOM 1248 CA MET A 80 6.314 11.829 2.763 1.00 10.00 C ATOM 1249 C MET A 80 7.467 11.475 1.806 1.00 10.00 C ATOM 1250 O MET A 80 8.309 12.314 1.496 1.00 10.00 O ATOM 1251 CB MET A 80 6.432 13.250 3.350 1.00 10.00 C ATOM 1252 CG MET A 80 6.206 14.353 2.307 1.00 10.00 C ATOM 1253 SD MET A 80 7.018 15.927 2.671 1.00 10.00 S ATOM 1254 CE MET A 80 6.734 16.776 1.103 1.00 10.00 C ATOM 0 H MET A 80 5.316 10.319 3.801 1.00 10.00 H new ATOM 0 HA MET A 80 5.414 11.797 2.150 1.00 10.00 H new ATOM 0 HB2 MET A 80 5.706 13.365 4.155 1.00 10.00 H new ATOM 0 HB3 MET A 80 7.421 13.373 3.792 1.00 10.00 H new ATOM 0 HG2 MET A 80 6.558 13.995 1.340 1.00 10.00 H new ATOM 0 HG3 MET A 80 5.134 14.528 2.211 1.00 10.00 H new ATOM 0 HE1 MET A 80 7.171 17.774 1.145 1.00 10.00 H new ATOM 0 HE2 MET A 80 7.197 16.211 0.294 1.00 10.00 H new ATOM 0 HE3 MET A 80 5.662 16.857 0.922 1.00 10.00 H new ATOM 1264 N ILE A 81 7.469 10.247 1.274 1.00 10.00 N ATOM 1265 CA ILE A 81 8.406 9.832 0.227 1.00 10.00 C ATOM 1266 C ILE A 81 7.706 9.887 -1.143 1.00 10.00 C ATOM 1267 O ILE A 81 6.691 10.577 -1.294 1.00 10.00 O ATOM 1268 CB ILE A 81 9.031 8.460 0.578 1.00 10.00 C ATOM 1269 CG1 ILE A 81 8.006 7.310 0.557 1.00 10.00 C ATOM 1270 CG2 ILE A 81 9.725 8.545 1.946 1.00 10.00 C ATOM 1271 CD1 ILE A 81 8.688 5.963 0.302 1.00 10.00 C ATOM 0 H ILE A 81 6.820 9.513 1.559 1.00 10.00 H new ATOM 0 HA ILE A 81 9.247 10.523 0.164 1.00 10.00 H new ATOM 0 HB ILE A 81 9.764 8.228 -0.194 1.00 10.00 H new ATOM 0 HG12 ILE A 81 7.474 7.277 1.508 1.00 10.00 H new ATOM 0 HG13 ILE A 81 7.263 7.496 -0.218 1.00 10.00 H new ATOM 0 HG21 ILE A 81 10.165 7.578 2.192 1.00 10.00 H new ATOM 0 HG22 ILE A 81 10.509 9.301 1.910 1.00 10.00 H new ATOM 0 HG23 ILE A 81 8.995 8.816 2.708 1.00 10.00 H new ATOM 0 HD11 ILE A 81 7.938 5.172 0.293 1.00 10.00 H new ATOM 0 HD12 ILE A 81 9.199 5.990 -0.661 1.00 10.00 H new ATOM 0 HD13 ILE A 81 9.413 5.767 1.092 1.00 10.00 H new ATOM 1283 N PHE A 82 8.237 9.149 -2.126 1.00 10.00 N ATOM 1284 CA PHE A 82 7.703 8.947 -3.471 1.00 10.00 C ATOM 1285 C PHE A 82 7.679 10.206 -4.344 1.00 10.00 C ATOM 1286 O PHE A 82 7.679 11.342 -3.865 1.00 10.00 O ATOM 1287 CB PHE A 82 6.319 8.260 -3.454 1.00 10.00 C ATOM 1288 CG PHE A 82 6.288 6.739 -3.451 1.00 10.00 C ATOM 1289 CD1 PHE A 82 7.096 6.011 -4.350 1.00 10.00 C ATOM 1290 CD2 PHE A 82 5.239 6.074 -2.784 1.00 10.00 C ATOM 1291 CE1 PHE A 82 6.947 4.620 -4.470 1.00 10.00 C ATOM 1292 CE2 PHE A 82 5.038 4.695 -2.969 1.00 10.00 C ATOM 1293 CZ PHE A 82 5.927 3.961 -3.769 1.00 10.00 C ATOM 0 H PHE A 82 9.112 8.644 -1.989 1.00 10.00 H new ATOM 0 HA PHE A 82 8.417 8.273 -3.944 1.00 10.00 H new ATOM 0 HB2 PHE A 82 5.782 8.609 -2.572 1.00 10.00 H new ATOM 0 HB3 PHE A 82 5.762 8.606 -4.325 1.00 10.00 H new ATOM 0 HD1 PHE A 82 7.833 6.526 -4.949 1.00 10.00 H new ATOM 0 HD2 PHE A 82 4.585 6.628 -2.126 1.00 10.00 H new ATOM 0 HE1 PHE A 82 7.618 4.058 -5.102 1.00 10.00 H new ATOM 0 HE2 PHE A 82 4.201 4.202 -2.497 1.00 10.00 H new ATOM 0 HZ PHE A 82 5.826 2.888 -3.845 1.00 10.00 H new ATOM 1303 N ALA A 83 7.622 9.965 -5.655 1.00 10.00 N ATOM 1304 CA ALA A 83 7.468 10.960 -6.705 1.00 10.00 C ATOM 1305 C ALA A 83 6.594 10.337 -7.797 1.00 10.00 C ATOM 1306 O ALA A 83 6.936 10.364 -8.976 1.00 10.00 O ATOM 1307 CB ALA A 83 8.854 11.352 -7.229 1.00 10.00 C ATOM 0 H ALA A 83 7.686 9.018 -6.027 1.00 10.00 H new ATOM 0 HA ALA A 83 6.989 11.870 -6.342 1.00 10.00 H new ATOM 0 HB1 ALA A 83 8.748 12.098 -8.017 1.00 10.00 H new ATOM 0 HB2 ALA A 83 9.447 11.767 -6.414 1.00 10.00 H new ATOM 0 HB3 ALA A 83 9.354 10.470 -7.629 1.00 10.00 H new ATOM 1313 N GLY A 84 5.486 9.724 -7.369 1.00 10.00 N ATOM 1314 CA GLY A 84 4.647 8.903 -8.224 1.00 10.00 C ATOM 1315 C GLY A 84 5.274 7.534 -8.477 1.00 10.00 C ATOM 1316 O GLY A 84 6.422 7.289 -8.105 1.00 10.00 O ATOM 0 H GLY A 84 5.150 9.789 -6.408 1.00 10.00 H new ATOM 0 HA2 GLY A 84 3.668 8.776 -7.761 1.00 10.00 H new ATOM 0 HA3 GLY A 84 4.486 9.412 -9.174 1.00 10.00 H new ATOM 1320 N ILE A 85 4.508 6.639 -9.114 1.00 10.00 N ATOM 1321 CA ILE A 85 5.045 5.423 -9.710 1.00 10.00 C ATOM 1322 C ILE A 85 5.673 5.832 -11.035 1.00 10.00 C ATOM 1323 O ILE A 85 6.883 6.023 -11.113 1.00 10.00 O ATOM 1324 CB ILE A 85 3.944 4.332 -9.796 1.00 10.00 C ATOM 1325 CG1 ILE A 85 3.850 3.667 -8.433 1.00 10.00 C ATOM 1326 CG2 ILE A 85 4.060 3.253 -10.894 1.00 10.00 C ATOM 1327 CD1 ILE A 85 4.990 2.692 -8.166 1.00 10.00 C ATOM 0 H ILE A 85 3.500 6.743 -9.227 1.00 10.00 H new ATOM 0 HA ILE A 85 5.822 4.955 -9.106 1.00 10.00 H new ATOM 0 HB ILE A 85 3.046 4.871 -10.096 1.00 10.00 H new ATOM 0 HG12 ILE A 85 3.848 4.435 -7.660 1.00 10.00 H new ATOM 0 HG13 ILE A 85 2.901 3.137 -8.358 1.00 10.00 H new ATOM 0 HG21 ILE A 85 3.216 2.567 -10.821 1.00 10.00 H new ATOM 0 HG22 ILE A 85 4.056 3.730 -11.874 1.00 10.00 H new ATOM 0 HG23 ILE A 85 4.990 2.700 -10.763 1.00 10.00 H new ATOM 0 HD11 ILE A 85 4.867 2.250 -7.177 1.00 10.00 H new ATOM 0 HD12 ILE A 85 4.979 1.905 -8.920 1.00 10.00 H new ATOM 0 HD13 ILE A 85 5.941 3.223 -8.210 1.00 10.00 H new ATOM 1339 N LYS A 86 4.841 5.978 -12.067 1.00 10.00 N ATOM 1340 CA LYS A 86 5.237 6.401 -13.403 1.00 10.00 C ATOM 1341 C LYS A 86 4.151 7.244 -14.053 1.00 10.00 C ATOM 1342 O LYS A 86 4.413 8.322 -14.576 1.00 10.00 O ATOM 1343 CB LYS A 86 5.505 5.169 -14.273 1.00 10.00 C ATOM 1344 CG LYS A 86 6.608 4.335 -13.629 1.00 10.00 C ATOM 1345 CD LYS A 86 7.312 3.520 -14.710 1.00 10.00 C ATOM 1346 CE LYS A 86 8.498 2.752 -14.112 1.00 10.00 C ATOM 1347 NZ LYS A 86 8.962 1.688 -15.021 1.00 10.00 N ATOM 0 H LYS A 86 3.840 5.798 -11.989 1.00 10.00 H new ATOM 0 HA LYS A 86 6.141 7.003 -13.316 1.00 10.00 H new ATOM 0 HB2 LYS A 86 4.596 4.576 -14.376 1.00 10.00 H new ATOM 0 HB3 LYS A 86 5.801 5.474 -15.277 1.00 10.00 H new ATOM 0 HG2 LYS A 86 7.322 4.983 -13.122 1.00 10.00 H new ATOM 0 HG3 LYS A 86 6.186 3.673 -12.873 1.00 10.00 H new ATOM 0 HD2 LYS A 86 6.609 2.821 -15.163 1.00 10.00 H new ATOM 0 HD3 LYS A 86 7.661 4.181 -15.503 1.00 10.00 H new ATOM 0 HE2 LYS A 86 9.316 3.443 -13.910 1.00 10.00 H new ATOM 0 HE3 LYS A 86 8.206 2.315 -13.157 1.00 10.00 H new ATOM 0 HZ1 LYS A 86 9.566 1.023 -14.497 1.00 10.00 H new ATOM 0 HZ2 LYS A 86 8.141 1.179 -15.408 1.00 10.00 H new ATOM 0 HZ3 LYS A 86 9.506 2.110 -15.800 1.00 10.00 H new ATOM 1361 N LYS A 87 2.940 6.688 -14.086 1.00 10.00 N ATOM 1362 CA LYS A 87 1.798 7.263 -14.766 1.00 10.00 C ATOM 1363 C LYS A 87 0.538 6.605 -14.192 1.00 10.00 C ATOM 1364 O LYS A 87 0.362 6.567 -12.971 1.00 10.00 O ATOM 1365 CB LYS A 87 1.994 7.144 -16.295 1.00 10.00 C ATOM 1366 CG LYS A 87 2.417 5.746 -16.789 1.00 10.00 C ATOM 1367 CD LYS A 87 2.757 5.716 -18.288 1.00 10.00 C ATOM 1368 CE LYS A 87 3.976 6.600 -18.614 1.00 10.00 C ATOM 1369 NZ LYS A 87 4.652 6.197 -19.867 1.00 10.00 N ATOM 0 H LYS A 87 2.729 5.802 -13.626 1.00 10.00 H new ATOM 0 HA LYS A 87 1.687 8.334 -14.594 1.00 10.00 H new ATOM 0 HB2 LYS A 87 1.063 7.421 -16.789 1.00 10.00 H new ATOM 0 HB3 LYS A 87 2.748 7.867 -16.607 1.00 10.00 H new ATOM 0 HG2 LYS A 87 3.284 5.412 -16.219 1.00 10.00 H new ATOM 0 HG3 LYS A 87 1.613 5.038 -16.590 1.00 10.00 H new ATOM 0 HD2 LYS A 87 2.959 4.690 -18.595 1.00 10.00 H new ATOM 0 HD3 LYS A 87 1.896 6.057 -18.863 1.00 10.00 H new ATOM 0 HE2 LYS A 87 3.655 7.639 -18.696 1.00 10.00 H new ATOM 0 HE3 LYS A 87 4.687 6.550 -17.790 1.00 10.00 H new ATOM 0 HZ1 LYS A 87 5.464 6.823 -20.040 1.00 10.00 H new ATOM 0 HZ2 LYS A 87 4.984 5.215 -19.782 1.00 10.00 H new ATOM 0 HZ3 LYS A 87 3.984 6.270 -20.661 1.00 10.00 H new ATOM 1383 N LYS A 88 -0.327 6.059 -15.048 1.00 10.00 N ATOM 1384 CA LYS A 88 -1.535 5.350 -14.642 1.00 10.00 C ATOM 1385 C LYS A 88 -1.332 3.841 -14.786 1.00 10.00 C ATOM 1386 O LYS A 88 -1.700 3.076 -13.901 1.00 10.00 O ATOM 1387 CB LYS A 88 -2.755 5.925 -15.389 1.00 10.00 C ATOM 1388 CG LYS A 88 -2.859 5.584 -16.886 1.00 10.00 C ATOM 1389 CD LYS A 88 -3.648 4.281 -17.121 1.00 10.00 C ATOM 1390 CE LYS A 88 -5.076 4.542 -17.629 1.00 10.00 C ATOM 1391 NZ LYS A 88 -5.109 4.917 -19.060 1.00 10.00 N ATOM 0 H LYS A 88 -0.203 6.099 -16.060 1.00 10.00 H new ATOM 0 HA LYS A 88 -1.745 5.507 -13.584 1.00 10.00 H new ATOM 0 HB2 LYS A 88 -3.659 5.570 -14.893 1.00 10.00 H new ATOM 0 HB3 LYS A 88 -2.740 7.010 -15.285 1.00 10.00 H new ATOM 0 HG2 LYS A 88 -3.346 6.404 -17.413 1.00 10.00 H new ATOM 0 HG3 LYS A 88 -1.858 5.484 -17.307 1.00 10.00 H new ATOM 0 HD2 LYS A 88 -3.116 3.663 -17.844 1.00 10.00 H new ATOM 0 HD3 LYS A 88 -3.694 3.715 -16.191 1.00 10.00 H new ATOM 0 HE2 LYS A 88 -5.681 3.648 -17.477 1.00 10.00 H new ATOM 0 HE3 LYS A 88 -5.529 5.338 -17.038 1.00 10.00 H new ATOM 0 HZ1 LYS A 88 -6.093 5.082 -19.353 1.00 10.00 H new ATOM 0 HZ2 LYS A 88 -4.555 5.785 -19.204 1.00 10.00 H new ATOM 0 HZ3 LYS A 88 -4.702 4.148 -19.630 1.00 10.00 H new ATOM 1405 N THR A 89 -0.718 3.419 -15.892 1.00 10.00 N ATOM 1406 CA THR A 89 -0.665 2.040 -16.332 1.00 10.00 C ATOM 1407 C THR A 89 -0.026 1.156 -15.269 1.00 10.00 C ATOM 1408 O THR A 89 -0.707 0.334 -14.666 1.00 10.00 O ATOM 1409 CB THR A 89 0.097 2.021 -17.663 1.00 10.00 C ATOM 1410 OG1 THR A 89 -0.394 3.087 -18.461 1.00 10.00 O ATOM 1411 CG2 THR A 89 -0.066 0.673 -18.368 1.00 10.00 C ATOM 0 H THR A 89 -0.230 4.056 -16.522 1.00 10.00 H new ATOM 0 HA THR A 89 -1.664 1.632 -16.484 1.00 10.00 H new ATOM 0 HB THR A 89 1.165 2.153 -17.488 1.00 10.00 H new ATOM 0 HG1 THR A 89 0.079 3.098 -19.319 1.00 10.00 H new ATOM 0 HG21 THR A 89 0.484 0.686 -19.309 1.00 10.00 H new ATOM 0 HG22 THR A 89 0.324 -0.120 -17.731 1.00 10.00 H new ATOM 0 HG23 THR A 89 -1.122 0.492 -18.567 1.00 10.00 H new ATOM 1419 N GLU A 90 1.264 1.379 -15.005 1.00 10.00 N ATOM 1420 CA GLU A 90 2.021 0.630 -14.021 1.00 10.00 C ATOM 1421 C GLU A 90 1.279 0.535 -12.690 1.00 10.00 C ATOM 1422 O GLU A 90 1.125 -0.542 -12.127 1.00 10.00 O ATOM 1423 CB GLU A 90 3.390 1.289 -13.831 1.00 10.00 C ATOM 1424 CG GLU A 90 4.456 0.683 -14.770 1.00 10.00 C ATOM 1425 CD GLU A 90 5.865 0.608 -14.186 1.00 10.00 C ATOM 1426 OE1 GLU A 90 6.065 0.976 -13.010 1.00 10.00 O ATOM 1427 OE2 GLU A 90 6.773 0.237 -14.967 1.00 10.00 O ATOM 0 H GLU A 90 1.812 2.097 -15.480 1.00 10.00 H new ATOM 0 HA GLU A 90 2.152 -0.389 -14.386 1.00 10.00 H new ATOM 0 HB2 GLU A 90 3.307 2.359 -14.019 1.00 10.00 H new ATOM 0 HB3 GLU A 90 3.709 1.171 -12.795 1.00 10.00 H new ATOM 0 HG2 GLU A 90 4.142 -0.322 -15.051 1.00 10.00 H new ATOM 0 HG3 GLU A 90 4.490 1.274 -15.685 1.00 10.00 H new ATOM 1434 N ARG A 91 0.828 1.680 -12.187 1.00 10.00 N ATOM 1435 CA ARG A 91 0.087 1.769 -10.941 1.00 10.00 C ATOM 1436 C ARG A 91 -1.134 0.827 -10.968 1.00 10.00 C ATOM 1437 O ARG A 91 -1.406 0.129 -9.992 1.00 10.00 O ATOM 1438 CB ARG A 91 -0.263 3.248 -10.746 1.00 10.00 C ATOM 1439 CG ARG A 91 -1.037 3.562 -9.464 1.00 10.00 C ATOM 1440 CD ARG A 91 -0.907 5.056 -9.125 1.00 10.00 C ATOM 1441 NE ARG A 91 -1.019 5.914 -10.321 1.00 10.00 N ATOM 1442 CZ ARG A 91 -2.065 6.656 -10.722 1.00 10.00 C ATOM 1443 NH1 ARG A 91 -3.207 6.693 -10.036 1.00 10.00 N ATOM 1444 NH2 ARG A 91 -1.943 7.383 -11.834 1.00 10.00 N ATOM 0 H ARG A 91 0.971 2.582 -12.642 1.00 10.00 H new ATOM 0 HA ARG A 91 0.671 1.433 -10.084 1.00 10.00 H new ATOM 0 HB2 ARG A 91 0.660 3.828 -10.748 1.00 10.00 H new ATOM 0 HB3 ARG A 91 -0.852 3.583 -11.600 1.00 10.00 H new ATOM 0 HG2 ARG A 91 -2.087 3.299 -9.590 1.00 10.00 H new ATOM 0 HG3 ARG A 91 -0.654 2.959 -8.641 1.00 10.00 H new ATOM 0 HD2 ARG A 91 -1.681 5.332 -8.409 1.00 10.00 H new ATOM 0 HD3 ARG A 91 0.053 5.234 -8.641 1.00 10.00 H new ATOM 0 HE ARG A 91 -0.195 5.948 -10.921 1.00 10.00 H new ATOM 0 HH11 ARG A 91 -3.305 6.148 -9.180 1.00 10.00 H new ATOM 0 HH12 ARG A 91 -3.983 7.267 -10.367 1.00 10.00 H new ATOM 0 HH21 ARG A 91 -1.069 7.368 -12.360 1.00 10.00 H new ATOM 0 HH22 ARG A 91 -2.723 7.954 -12.158 1.00 10.00 H new ATOM 1458 N GLU A 92 -1.845 0.779 -12.098 1.00 10.00 N ATOM 1459 CA GLU A 92 -3.033 -0.059 -12.270 1.00 10.00 C ATOM 1460 C GLU A 92 -2.644 -1.545 -12.355 1.00 10.00 C ATOM 1461 O GLU A 92 -3.213 -2.402 -11.677 1.00 10.00 O ATOM 1462 CB GLU A 92 -3.817 0.409 -13.512 1.00 10.00 C ATOM 1463 CG GLU A 92 -5.323 0.523 -13.243 1.00 10.00 C ATOM 1464 CD GLU A 92 -5.962 -0.837 -13.017 1.00 10.00 C ATOM 1465 OE1 GLU A 92 -6.128 -1.545 -14.035 1.00 10.00 O ATOM 1466 OE2 GLU A 92 -6.247 -1.161 -11.848 1.00 10.00 O ATOM 0 H GLU A 92 -1.609 1.326 -12.926 1.00 10.00 H new ATOM 0 HA GLU A 92 -3.683 0.046 -11.401 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -3.434 1.377 -13.837 1.00 10.00 H new ATOM 0 HB3 GLU A 92 -3.649 -0.291 -14.330 1.00 10.00 H new ATOM 0 HG2 GLU A 92 -5.489 1.152 -12.369 1.00 10.00 H new ATOM 0 HG3 GLU A 92 -5.806 1.016 -14.087 1.00 10.00 H new ATOM 1473 N ASP A 93 -1.645 -1.860 -13.183 1.00 10.00 N ATOM 1474 CA ASP A 93 -1.060 -3.194 -13.276 1.00 10.00 C ATOM 1475 C ASP A 93 -0.737 -3.702 -11.868 1.00 10.00 C ATOM 1476 O ASP A 93 -1.105 -4.813 -11.486 1.00 10.00 O ATOM 1477 CB ASP A 93 0.190 -3.169 -14.171 1.00 10.00 C ATOM 1478 CG ASP A 93 -0.075 -2.829 -15.633 1.00 10.00 C ATOM 1479 OD1 ASP A 93 -1.189 -3.144 -16.108 1.00 10.00 O ATOM 1480 OD2 ASP A 93 0.854 -2.271 -16.258 1.00 10.00 O ATOM 0 H ASP A 93 -1.216 -1.184 -13.815 1.00 10.00 H new ATOM 0 HA ASP A 93 -1.773 -3.879 -13.735 1.00 10.00 H new ATOM 0 HB2 ASP A 93 0.895 -2.443 -13.766 1.00 10.00 H new ATOM 0 HB3 ASP A 93 0.674 -4.144 -14.122 1.00 10.00 H new ATOM 1485 N LEU A 94 -0.096 -2.847 -11.070 1.00 10.00 N ATOM 1486 CA LEU A 94 0.196 -3.103 -9.669 1.00 10.00 C ATOM 1487 C LEU A 94 -1.048 -3.592 -8.922 1.00 10.00 C ATOM 1488 O LEU A 94 -1.027 -4.680 -8.340 1.00 10.00 O ATOM 1489 CB LEU A 94 0.790 -1.842 -9.023 1.00 10.00 C ATOM 1490 CG LEU A 94 2.039 -2.176 -8.213 1.00 10.00 C ATOM 1491 CD1 LEU A 94 2.720 -0.881 -7.770 1.00 10.00 C ATOM 1492 CD2 LEU A 94 1.696 -3.003 -6.987 1.00 10.00 C ATOM 0 H LEU A 94 0.240 -1.939 -11.392 1.00 10.00 H new ATOM 0 HA LEU A 94 0.935 -3.902 -9.604 1.00 10.00 H new ATOM 0 HB2 LEU A 94 1.038 -1.116 -9.797 1.00 10.00 H new ATOM 0 HB3 LEU A 94 0.047 -1.377 -8.376 1.00 10.00 H new ATOM 0 HG LEU A 94 2.708 -2.758 -8.846 1.00 10.00 H new ATOM 0 HD11 LEU A 94 3.612 -1.119 -7.191 1.00 10.00 H new ATOM 0 HD12 LEU A 94 3.001 -0.299 -8.648 1.00 10.00 H new ATOM 0 HD13 LEU A 94 2.033 -0.300 -7.155 1.00 10.00 H new ATOM 0 HD21 LEU A 94 2.607 -3.225 -6.431 1.00 10.00 H new ATOM 0 HD22 LEU A 94 1.010 -2.444 -6.351 1.00 10.00 H new ATOM 0 HD23 LEU A 94 1.225 -3.935 -7.297 1.00 10.00 H new ATOM 1504 N ILE A 95 -2.132 -2.803 -8.956 1.00 10.00 N ATOM 1505 CA ILE A 95 -3.419 -3.202 -8.404 1.00 10.00 C ATOM 1506 C ILE A 95 -3.793 -4.612 -8.848 1.00 10.00 C ATOM 1507 O ILE A 95 -4.180 -5.416 -8.009 1.00 10.00 O ATOM 1508 CB ILE A 95 -4.515 -2.159 -8.718 1.00 10.00 C ATOM 1509 CG1 ILE A 95 -4.625 -1.148 -7.579 1.00 10.00 C ATOM 1510 CG2 ILE A 95 -5.901 -2.778 -8.921 1.00 10.00 C ATOM 1511 CD1 ILE A 95 -3.520 -0.110 -7.619 1.00 10.00 C ATOM 0 H ILE A 95 -2.133 -1.870 -9.369 1.00 10.00 H new ATOM 0 HA ILE A 95 -3.331 -3.232 -7.318 1.00 10.00 H new ATOM 0 HB ILE A 95 -4.209 -1.683 -9.650 1.00 10.00 H new ATOM 0 HG12 ILE A 95 -5.592 -0.648 -7.633 1.00 10.00 H new ATOM 0 HG13 ILE A 95 -4.591 -1.674 -6.625 1.00 10.00 H new ATOM 0 HG21 ILE A 95 -6.623 -1.991 -9.138 1.00 10.00 H new ATOM 0 HG22 ILE A 95 -5.868 -3.479 -9.755 1.00 10.00 H new ATOM 0 HG23 ILE A 95 -6.200 -3.305 -8.015 1.00 10.00 H new ATOM 0 HD11 ILE A 95 -3.643 0.585 -6.788 1.00 10.00 H new ATOM 0 HD12 ILE A 95 -2.552 -0.605 -7.537 1.00 10.00 H new ATOM 0 HD13 ILE A 95 -3.569 0.437 -8.560 1.00 10.00 H new ATOM 1523 N ALA A 96 -3.700 -4.926 -10.139 1.00 10.00 N ATOM 1524 CA ALA A 96 -4.103 -6.244 -10.623 1.00 10.00 C ATOM 1525 C ALA A 96 -3.355 -7.384 -9.934 1.00 10.00 C ATOM 1526 O ALA A 96 -3.981 -8.352 -9.503 1.00 10.00 O ATOM 1527 CB ALA A 96 -3.950 -6.334 -12.131 1.00 10.00 C ATOM 0 H ALA A 96 -3.353 -4.294 -10.861 1.00 10.00 H new ATOM 0 HA ALA A 96 -5.156 -6.362 -10.367 1.00 10.00 H new ATOM 0 HB1 ALA A 96 -4.256 -7.324 -12.469 1.00 10.00 H new ATOM 0 HB2 ALA A 96 -4.576 -5.579 -12.606 1.00 10.00 H new ATOM 0 HB3 ALA A 96 -2.908 -6.164 -12.402 1.00 10.00 H new ATOM 1533 N TYR A 97 -2.027 -7.286 -9.820 1.00 10.00 N ATOM 1534 CA TYR A 97 -1.276 -8.265 -9.040 1.00 10.00 C ATOM 1535 C TYR A 97 -1.824 -8.315 -7.623 1.00 10.00 C ATOM 1536 O TYR A 97 -2.257 -9.367 -7.148 1.00 10.00 O ATOM 1537 CB TYR A 97 0.211 -7.919 -9.022 1.00 10.00 C ATOM 1538 CG TYR A 97 1.033 -8.719 -8.029 1.00 10.00 C ATOM 1539 CD1 TYR A 97 1.246 -10.093 -8.243 1.00 10.00 C ATOM 1540 CD2 TYR A 97 1.537 -8.107 -6.865 1.00 10.00 C ATOM 1541 CE1 TYR A 97 1.988 -10.844 -7.315 1.00 10.00 C ATOM 1542 CE2 TYR A 97 2.255 -8.866 -5.924 1.00 10.00 C ATOM 1543 CZ TYR A 97 2.485 -10.233 -6.151 1.00 10.00 C ATOM 1544 OH TYR A 97 3.162 -10.981 -5.236 1.00 10.00 O ATOM 0 H TYR A 97 -1.462 -6.553 -10.250 1.00 10.00 H new ATOM 0 HA TYR A 97 -1.388 -9.245 -9.504 1.00 10.00 H new ATOM 0 HB2 TYR A 97 0.619 -8.075 -10.021 1.00 10.00 H new ATOM 0 HB3 TYR A 97 0.321 -6.859 -8.794 1.00 10.00 H new ATOM 0 HD1 TYR A 97 0.839 -10.571 -9.121 1.00 10.00 H new ATOM 0 HD2 TYR A 97 1.372 -7.053 -6.695 1.00 10.00 H new ATOM 0 HE1 TYR A 97 2.176 -11.892 -7.497 1.00 10.00 H new ATOM 0 HE2 TYR A 97 2.630 -8.398 -5.026 1.00 10.00 H new ATOM 0 HH TYR A 97 3.441 -10.411 -4.489 1.00 10.00 H new ATOM 1554 N LEU A 98 -1.802 -7.156 -6.968 1.00 10.00 N ATOM 1555 CA LEU A 98 -2.305 -6.988 -5.614 1.00 10.00 C ATOM 1556 C LEU A 98 -3.639 -7.716 -5.405 1.00 10.00 C ATOM 1557 O LEU A 98 -3.759 -8.475 -4.447 1.00 10.00 O ATOM 1558 CB LEU A 98 -2.375 -5.496 -5.249 1.00 10.00 C ATOM 1559 CG LEU A 98 -1.338 -5.090 -4.186 1.00 10.00 C ATOM 1560 CD1 LEU A 98 -0.260 -4.180 -4.753 1.00 10.00 C ATOM 1561 CD2 LEU A 98 -2.036 -4.391 -3.028 1.00 10.00 C ATOM 0 H LEU A 98 -1.428 -6.297 -7.372 1.00 10.00 H new ATOM 0 HA LEU A 98 -1.602 -7.457 -4.926 1.00 10.00 H new ATOM 0 HB2 LEU A 98 -2.219 -4.900 -6.148 1.00 10.00 H new ATOM 0 HB3 LEU A 98 -3.375 -5.264 -4.882 1.00 10.00 H new ATOM 0 HG LEU A 98 -0.852 -6.002 -3.839 1.00 10.00 H new ATOM 0 HD11 LEU A 98 0.448 -3.921 -3.966 1.00 10.00 H new ATOM 0 HD12 LEU A 98 0.265 -4.695 -5.558 1.00 10.00 H new ATOM 0 HD13 LEU A 98 -0.719 -3.271 -5.142 1.00 10.00 H new ATOM 0 HD21 LEU A 98 -1.299 -4.105 -2.278 1.00 10.00 H new ATOM 0 HD22 LEU A 98 -2.545 -3.500 -3.395 1.00 10.00 H new ATOM 0 HD23 LEU A 98 -2.765 -5.067 -2.581 1.00 10.00 H new ATOM 1573 N LYS A 99 -4.621 -7.530 -6.296 1.00 10.00 N ATOM 1574 CA LYS A 99 -5.930 -8.181 -6.212 1.00 10.00 C ATOM 1575 C LYS A 99 -5.816 -9.684 -5.967 1.00 10.00 C ATOM 1576 O LYS A 99 -6.564 -10.235 -5.163 1.00 10.00 O ATOM 1577 CB LYS A 99 -6.788 -7.914 -7.461 1.00 10.00 C ATOM 1578 CG LYS A 99 -7.352 -6.490 -7.504 1.00 10.00 C ATOM 1579 CD LYS A 99 -8.429 -6.330 -8.590 1.00 10.00 C ATOM 1580 CE LYS A 99 -8.544 -4.837 -8.933 1.00 10.00 C ATOM 1581 NZ LYS A 99 -9.807 -4.439 -9.581 1.00 10.00 N ATOM 0 H LYS A 99 -4.525 -6.915 -7.104 1.00 10.00 H new ATOM 0 HA LYS A 99 -6.429 -7.736 -5.351 1.00 10.00 H new ATOM 0 HB2 LYS A 99 -6.186 -8.088 -8.353 1.00 10.00 H new ATOM 0 HB3 LYS A 99 -7.612 -8.627 -7.489 1.00 10.00 H new ATOM 0 HG2 LYS A 99 -7.777 -6.239 -6.532 1.00 10.00 H new ATOM 0 HG3 LYS A 99 -6.542 -5.785 -7.690 1.00 10.00 H new ATOM 0 HD2 LYS A 99 -8.163 -6.905 -9.477 1.00 10.00 H new ATOM 0 HD3 LYS A 99 -9.386 -6.714 -8.236 1.00 10.00 H new ATOM 0 HE2 LYS A 99 -8.427 -4.260 -8.016 1.00 10.00 H new ATOM 0 HE3 LYS A 99 -7.716 -4.566 -9.589 1.00 10.00 H new ATOM 0 HZ1 LYS A 99 -9.670 -3.540 -10.086 1.00 10.00 H new ATOM 0 HZ2 LYS A 99 -10.098 -5.175 -10.256 1.00 10.00 H new ATOM 0 HZ3 LYS A 99 -10.546 -4.321 -8.859 1.00 10.00 H new ATOM 1595 N LYS A 100 -4.903 -10.357 -6.666 1.00 10.00 N ATOM 1596 CA LYS A 100 -4.720 -11.788 -6.491 1.00 10.00 C ATOM 1597 C LYS A 100 -3.894 -12.029 -5.226 1.00 10.00 C ATOM 1598 O LYS A 100 -4.229 -12.862 -4.387 1.00 10.00 O ATOM 1599 CB LYS A 100 -4.035 -12.387 -7.722 1.00 10.00 C ATOM 1600 CG LYS A 100 -4.747 -12.033 -9.038 1.00 10.00 C ATOM 1601 CD LYS A 100 -5.634 -13.144 -9.624 1.00 10.00 C ATOM 1602 CE LYS A 100 -6.932 -13.358 -8.831 1.00 10.00 C ATOM 1603 NZ LYS A 100 -7.839 -14.320 -9.498 1.00 10.00 N ATOM 0 H LYS A 100 -4.283 -9.932 -7.355 1.00 10.00 H new ATOM 0 HA LYS A 100 -5.688 -12.278 -6.381 1.00 10.00 H new ATOM 0 HB2 LYS A 100 -3.005 -12.033 -7.766 1.00 10.00 H new ATOM 0 HB3 LYS A 100 -3.995 -13.471 -7.617 1.00 10.00 H new ATOM 0 HG2 LYS A 100 -5.362 -11.149 -8.873 1.00 10.00 H new ATOM 0 HG3 LYS A 100 -3.994 -11.763 -9.778 1.00 10.00 H new ATOM 0 HD2 LYS A 100 -5.882 -12.896 -10.656 1.00 10.00 H new ATOM 0 HD3 LYS A 100 -5.071 -14.077 -9.647 1.00 10.00 H new ATOM 0 HE2 LYS A 100 -6.691 -13.721 -7.832 1.00 10.00 H new ATOM 0 HE3 LYS A 100 -7.443 -12.403 -8.708 1.00 10.00 H new ATOM 0 HZ1 LYS A 100 -8.702 -14.435 -8.929 1.00 10.00 H new ATOM 0 HZ2 LYS A 100 -8.091 -13.963 -10.442 1.00 10.00 H new ATOM 0 HZ3 LYS A 100 -7.362 -15.239 -9.592 1.00 10.00 H new ATOM 1617 N ALA A 101 -2.793 -11.286 -5.115 1.00 10.00 N ATOM 1618 CA ALA A 101 -1.726 -11.556 -4.166 1.00 10.00 C ATOM 1619 C ALA A 101 -2.208 -11.373 -2.730 1.00 10.00 C ATOM 1620 O ALA A 101 -2.026 -12.245 -1.887 1.00 10.00 O ATOM 1621 CB ALA A 101 -0.541 -10.643 -4.483 1.00 10.00 C ATOM 0 H ALA A 101 -2.620 -10.465 -5.695 1.00 10.00 H new ATOM 0 HA ALA A 101 -1.409 -12.595 -4.259 1.00 10.00 H new ATOM 0 HB1 ALA A 101 0.267 -10.837 -3.777 1.00 10.00 H new ATOM 0 HB2 ALA A 101 -0.192 -10.839 -5.497 1.00 10.00 H new ATOM 0 HB3 ALA A 101 -0.852 -9.602 -4.402 1.00 10.00 H new ATOM 1627 N THR A 102 -2.833 -10.229 -2.452 1.00 10.00 N ATOM 1628 CA THR A 102 -3.319 -9.922 -1.117 1.00 10.00 C ATOM 1629 C THR A 102 -4.448 -10.865 -0.708 1.00 10.00 C ATOM 1630 O THR A 102 -4.568 -11.186 0.472 1.00 10.00 O ATOM 1631 CB THR A 102 -3.754 -8.456 -1.026 1.00 10.00 C ATOM 1632 OG1 THR A 102 -4.785 -8.163 -1.946 1.00 10.00 O ATOM 1633 CG2 THR A 102 -2.562 -7.534 -1.275 1.00 10.00 C ATOM 0 H THR A 102 -3.013 -9.499 -3.141 1.00 10.00 H new ATOM 0 HA THR A 102 -2.500 -10.074 -0.414 1.00 10.00 H new ATOM 0 HB THR A 102 -4.139 -8.288 -0.020 1.00 10.00 H new ATOM 0 HG1 THR A 102 -4.430 -8.203 -2.859 1.00 10.00 H new ATOM 0 HG21 THR A 102 -2.885 -6.495 -1.207 1.00 10.00 H new ATOM 0 HG22 THR A 102 -1.792 -7.724 -0.527 1.00 10.00 H new ATOM 0 HG23 THR A 102 -2.157 -7.724 -2.269 1.00 10.00 H new ATOM 1641 N ASN A 103 -5.274 -11.281 -1.673 1.00 10.00 N ATOM 1642 CA ASN A 103 -6.346 -12.241 -1.451 1.00 10.00 C ATOM 1643 C ASN A 103 -5.745 -13.577 -1.014 1.00 10.00 C ATOM 1644 O ASN A 103 -6.109 -14.096 0.040 1.00 10.00 O ATOM 1645 CB ASN A 103 -7.197 -12.348 -2.723 1.00 10.00 C ATOM 1646 CG ASN A 103 -8.505 -13.108 -2.532 1.00 10.00 C ATOM 1647 OD1 ASN A 103 -8.715 -13.808 -1.551 1.00 10.00 O ATOM 1648 ND2 ASN A 103 -9.431 -12.941 -3.473 1.00 10.00 N ATOM 0 H ASN A 103 -5.212 -10.954 -2.637 1.00 10.00 H new ATOM 0 HA ASN A 103 -7.008 -11.913 -0.649 1.00 10.00 H new ATOM 0 HB2 ASN A 103 -7.421 -11.344 -3.083 1.00 10.00 H new ATOM 0 HB3 ASN A 103 -6.612 -12.842 -3.499 1.00 10.00 H new ATOM 0 HD21 ASN A 103 -10.337 -13.401 -3.384 1.00 10.00 H new ATOM 0 HD22 ASN A 103 -9.235 -12.353 -4.283 1.00 10.00 H new ATOM 1655 N GLU A 104 -4.771 -14.064 -1.789 1.00 10.00 N ATOM 1656 CA GLU A 104 -4.020 -15.279 -1.507 1.00 10.00 C ATOM 1657 C GLU A 104 -4.954 -16.489 -1.664 1.00 10.00 C ATOM 1658 O GLU A 104 -5.083 -17.285 -0.707 1.00 10.00 O ATOM 1659 CB GLU A 104 -3.292 -15.154 -0.147 1.00 10.00 C ATOM 1660 CG GLU A 104 -1.862 -15.736 -0.108 1.00 10.00 C ATOM 1661 CD GLU A 104 -1.764 -17.087 0.587 1.00 10.00 C ATOM 1662 OE1 GLU A 104 -1.972 -17.097 1.822 1.00 10.00 O ATOM 1663 OE2 GLU A 104 -1.414 -18.080 -0.082 1.00 10.00 O ATOM 1664 OXT GLU A 104 -5.549 -16.584 -2.763 1.00 10.00 O ATOM 0 H GLU A 104 -4.479 -13.607 -2.653 1.00 10.00 H new ATOM 0 HA GLU A 104 -3.215 -15.436 -2.225 1.00 10.00 H new ATOM 0 HB2 GLU A 104 -3.245 -14.100 0.126 1.00 10.00 H new ATOM 0 HB3 GLU A 104 -3.891 -15.654 0.614 1.00 10.00 H new ATOM 0 HG2 GLU A 104 -1.493 -15.836 -1.129 1.00 10.00 H new ATOM 0 HG3 GLU A 104 -1.206 -15.029 0.400 1.00 10.00 H new