USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 766 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 20 LYS NZ :NH3+ 164:sc= 2.37 (180deg=0.76) USER MOD Set 1.2: A 88 THR OG1 : rot -109:sc= 2.21 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -0.3 K(o=1,f=-6.3!) USER MOD Set 2.2: B 208 THR OG1 : rot 105:sc= 1.34 USER MOD Set 3.1: A 77 THR OG1 : rot 180:sc= 0.624 USER MOD Set 3.2: A 80 GLN : amide:sc=-0.00902 X(o=0.61,f=0.61) USER MOD Set 4.1: A 60 HIS : no HD1:sc= -0.488 K(o=0.78,f=0.1) USER MOD Set 4.2: A 98 LYS NZ :NH3+ -169:sc= 1.27! (180deg=0.553!) USER MOD Set 5.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 100 GLN : amide:sc= -0.0626 K(o=-0.063,f=-0.65) USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= 1.24 (180deg=0.679) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -69:sc= 0.94 USER MOD Single : A 24 SER OG : rot 17:sc= 1.25 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 121:sc= -0.472 USER MOD Single : A 34 ASN : amide:sc= -0.0239 K(o=-0.024,f=-0.92) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0434 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -69:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.19 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 94:sc= 1.22 USER MOD Single : A 87 ASN : amide:sc= -0.0457 K(o=-0.046,f=-0.72) USER MOD Single : A 90 GLN : amide:sc= 0.33 X(o=0.33,f=-0.0046) USER MOD Single : A 93 HIS : no HD1:sc= -0.105 X(o=-0.1,f=-0.11) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -12.970 -10.517 0.646 1.00 0.00 N ATOM 2 CA MET A 8 -14.242 -10.475 -0.005 1.00 0.00 C ATOM 3 C MET A 8 -14.206 -11.422 -1.155 1.00 0.00 C ATOM 4 O MET A 8 -15.104 -12.241 -1.343 1.00 0.00 O ATOM 5 CB MET A 8 -14.616 -9.061 -0.483 1.00 0.00 C ATOM 6 CG MET A 8 -15.166 -8.138 0.605 1.00 0.00 C ATOM 7 SD MET A 8 -14.001 -7.663 1.917 1.00 0.00 S ATOM 8 CE MET A 8 -14.782 -8.637 3.236 1.00 0.00 C ATOM 0 HA MET A 8 -15.010 -10.766 0.712 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.733 -8.596 -0.921 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.358 -9.146 -1.276 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.536 -7.230 0.129 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.023 -8.627 1.068 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.228 -8.502 4.165 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.810 -8.303 3.375 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.777 -9.692 2.961 1.00 0.00 H new ATOM 18 N LYS A 9 -13.138 -11.342 -1.967 1.00 0.00 N ATOM 19 CA LYS A 9 -12.821 -12.295 -2.986 1.00 0.00 C ATOM 20 C LYS A 9 -11.384 -12.629 -2.775 1.00 0.00 C ATOM 21 O LYS A 9 -10.632 -11.724 -2.415 1.00 0.00 O ATOM 22 CB LYS A 9 -13.007 -11.769 -4.418 1.00 0.00 C ATOM 23 CG LYS A 9 -14.389 -11.179 -4.711 1.00 0.00 C ATOM 24 CD LYS A 9 -14.450 -9.658 -4.561 1.00 0.00 C ATOM 25 CE LYS A 9 -13.877 -8.902 -5.761 1.00 0.00 C ATOM 26 NZ LYS A 9 -13.757 -7.454 -5.477 1.00 0.00 N ATOM 0 H LYS A 9 -12.464 -10.578 -1.911 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.496 -13.147 -2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.253 -11.005 -4.610 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.820 -12.584 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.682 -11.448 -5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.118 -11.632 -4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.487 -9.357 -4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.903 -9.367 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.898 -9.307 -6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.519 -9.053 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.698 -6.928 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.590 -7.135 -4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.899 -7.280 -4.916 1.00 0.00 H new ATOM 40 N PRO A 10 -10.900 -13.823 -2.944 1.00 0.00 N ATOM 41 CA PRO A 10 -9.515 -14.120 -2.722 1.00 0.00 C ATOM 42 C PRO A 10 -8.645 -13.592 -3.809 1.00 0.00 C ATOM 43 O PRO A 10 -9.032 -13.580 -4.976 1.00 0.00 O ATOM 44 CB PRO A 10 -9.458 -15.645 -2.652 1.00 0.00 C ATOM 45 CG PRO A 10 -10.641 -16.102 -3.520 1.00 0.00 C ATOM 46 CD PRO A 10 -11.688 -15.007 -3.251 1.00 0.00 C ATOM 0 HA PRO A 10 -9.142 -13.647 -1.813 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.511 -16.027 -3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.554 -16.001 -1.626 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.373 -16.158 -4.575 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.001 -17.089 -3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.327 -14.845 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.341 -15.276 -2.421 1.00 0.00 H new ATOM 54 N GLY A 11 -7.448 -13.100 -3.439 1.00 0.00 N ATOM 55 CA GLY A 11 -6.474 -12.578 -4.346 1.00 0.00 C ATOM 56 C GLY A 11 -6.829 -11.284 -4.993 1.00 0.00 C ATOM 57 O GLY A 11 -6.236 -10.910 -6.003 1.00 0.00 O ATOM 0 H GLY A 11 -7.147 -13.065 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.534 -12.450 -3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.296 -13.318 -5.126 1.00 0.00 H new ATOM 61 N ASP A 12 -7.811 -10.546 -4.445 1.00 0.00 N ATOM 62 CA ASP A 12 -8.321 -9.341 -5.023 1.00 0.00 C ATOM 63 C ASP A 12 -7.397 -8.192 -4.810 1.00 0.00 C ATOM 64 O ASP A 12 -7.220 -7.735 -3.682 1.00 0.00 O ATOM 65 CB ASP A 12 -9.708 -9.093 -4.407 1.00 0.00 C ATOM 66 CG ASP A 12 -10.515 -8.013 -5.112 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.513 -7.971 -6.371 1.00 0.00 O ATOM 68 OD2 ASP A 12 -11.206 -7.214 -4.426 1.00 0.00 O ATOM 0 H ASP A 12 -8.266 -10.797 -3.568 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.406 -9.444 -6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.274 -10.025 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.585 -8.815 -3.360 1.00 0.00 H new ATOM 73 N THR A 13 -6.755 -7.678 -5.875 1.00 0.00 N ATOM 74 CA THR A 13 -5.970 -6.485 -5.803 1.00 0.00 C ATOM 75 C THR A 13 -6.816 -5.261 -5.890 1.00 0.00 C ATOM 76 O THR A 13 -7.855 -5.222 -6.547 1.00 0.00 O ATOM 77 CB THR A 13 -4.838 -6.353 -6.778 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.213 -6.666 -8.112 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.712 -7.320 -6.374 1.00 0.00 C ATOM 0 H THR A 13 -6.782 -8.099 -6.804 1.00 0.00 H new ATOM 0 HA THR A 13 -5.503 -6.582 -4.823 1.00 0.00 H new ATOM 0 HB THR A 13 -4.519 -5.311 -6.749 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.438 -6.561 -8.703 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.885 -7.230 -7.078 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.363 -7.074 -5.371 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.089 -8.343 -6.386 1.00 0.00 H new ATOM 87 N PHE A 14 -6.399 -4.195 -5.185 1.00 0.00 N ATOM 88 CA PHE A 14 -7.035 -2.914 -5.197 1.00 0.00 C ATOM 89 C PHE A 14 -5.950 -1.898 -5.295 1.00 0.00 C ATOM 90 O PHE A 14 -5.083 -1.802 -4.426 1.00 0.00 O ATOM 91 CB PHE A 14 -8.032 -2.590 -4.071 1.00 0.00 C ATOM 92 CG PHE A 14 -7.796 -3.146 -2.710 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.598 -4.484 -2.458 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.889 -2.302 -1.629 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.353 -4.950 -1.189 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.629 -2.746 -0.353 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.343 -4.072 -0.130 1.00 0.00 C ATOM 0 H PHE A 14 -5.580 -4.227 -4.578 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.704 -2.910 -6.057 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.081 -1.505 -3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.016 -2.927 -4.397 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.636 -5.186 -3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.171 -1.271 -1.784 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.169 -6.001 -1.024 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.650 -2.052 0.474 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.113 -4.421 0.866 1.00 0.00 H new ATOM 107 N GLU A 15 -5.941 -1.121 -6.392 1.00 0.00 N ATOM 108 CA GLU A 15 -4.992 -0.082 -6.643 1.00 0.00 C ATOM 109 C GLU A 15 -5.546 1.223 -6.183 1.00 0.00 C ATOM 110 O GLU A 15 -6.018 2.056 -6.953 1.00 0.00 O ATOM 111 CB GLU A 15 -4.556 -0.068 -8.117 1.00 0.00 C ATOM 112 CG GLU A 15 -4.188 -1.456 -8.645 1.00 0.00 C ATOM 113 CD GLU A 15 -3.641 -1.437 -10.065 1.00 0.00 C ATOM 114 OE1 GLU A 15 -4.404 -1.118 -11.016 1.00 0.00 O ATOM 115 OE2 GLU A 15 -2.446 -1.785 -10.265 1.00 0.00 O ATOM 0 H GLU A 15 -6.628 -1.222 -7.139 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.084 -0.272 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.362 0.344 -8.725 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.700 0.597 -8.231 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.446 -1.903 -7.984 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.071 -2.095 -8.612 1.00 0.00 H new ATOM 122 N VAL A 16 -5.520 1.422 -4.853 1.00 0.00 N ATOM 123 CA VAL A 16 -6.162 2.462 -4.112 1.00 0.00 C ATOM 124 C VAL A 16 -5.456 3.768 -4.235 1.00 0.00 C ATOM 125 O VAL A 16 -4.313 3.894 -3.801 1.00 0.00 O ATOM 126 CB VAL A 16 -6.165 2.045 -2.671 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.621 3.161 -1.715 1.00 0.00 C ATOM 128 CG2 VAL A 16 -7.074 0.817 -2.498 1.00 0.00 C ATOM 0 H VAL A 16 -4.999 0.794 -4.241 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.169 2.603 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.135 1.807 -2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.600 2.793 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.951 4.016 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.636 3.466 -1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.078 0.512 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.089 1.069 -2.806 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.701 -0.002 -3.113 1.00 0.00 H new ATOM 138 N GLU A 17 -6.075 4.818 -4.806 1.00 0.00 N ATOM 139 CA GLU A 17 -5.391 6.049 -5.057 1.00 0.00 C ATOM 140 C GLU A 17 -5.772 7.110 -4.083 1.00 0.00 C ATOM 141 O GLU A 17 -6.927 7.503 -3.928 1.00 0.00 O ATOM 142 CB GLU A 17 -5.343 6.487 -6.530 1.00 0.00 C ATOM 143 CG GLU A 17 -6.245 7.624 -7.014 1.00 0.00 C ATOM 144 CD GLU A 17 -7.718 7.252 -7.117 1.00 0.00 C ATOM 145 OE1 GLU A 17 -8.033 6.190 -7.716 1.00 0.00 O ATOM 146 OE2 GLU A 17 -8.578 8.051 -6.661 1.00 0.00 O ATOM 0 H GLU A 17 -7.053 4.814 -5.095 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.338 5.844 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.314 6.771 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.570 5.611 -7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.142 8.469 -6.333 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.897 7.958 -7.992 1.00 0.00 H new ATOM 153 N LEU A 18 -4.774 7.587 -3.317 1.00 0.00 N ATOM 154 CA LEU A 18 -4.983 8.477 -2.216 1.00 0.00 C ATOM 155 C LEU A 18 -4.099 9.666 -2.372 1.00 0.00 C ATOM 156 O LEU A 18 -3.291 9.753 -3.295 1.00 0.00 O ATOM 157 CB LEU A 18 -4.613 7.807 -0.882 1.00 0.00 C ATOM 158 CG LEU A 18 -5.188 6.394 -0.694 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.432 5.715 0.462 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.715 6.411 -0.511 1.00 0.00 C ATOM 0 H LEU A 18 -3.794 7.347 -3.467 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.037 8.756 -2.209 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.527 7.756 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.961 8.438 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.034 5.803 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.825 4.709 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.371 5.657 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.564 6.297 1.374 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.077 5.391 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.969 7.001 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.182 6.853 -1.391 1.00 0.00 H new ATOM 172 N ALA A 19 -4.205 10.617 -1.426 1.00 0.00 N ATOM 173 CA ALA A 19 -3.220 11.629 -1.204 1.00 0.00 C ATOM 174 C ALA A 19 -2.921 11.639 0.255 1.00 0.00 C ATOM 175 O ALA A 19 -3.808 11.832 1.086 1.00 0.00 O ATOM 176 CB ALA A 19 -3.718 12.989 -1.722 1.00 0.00 C ATOM 0 H ALA A 19 -5.003 10.683 -0.795 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.302 11.422 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.955 13.747 -1.545 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.919 12.920 -2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.633 13.265 -1.198 1.00 0.00 H new ATOM 182 N LYS A 20 -1.662 11.376 0.647 1.00 0.00 N ATOM 183 CA LYS A 20 -1.242 11.248 2.007 1.00 0.00 C ATOM 184 C LYS A 20 -1.430 12.498 2.797 1.00 0.00 C ATOM 185 O LYS A 20 -0.978 13.565 2.384 1.00 0.00 O ATOM 186 CB LYS A 20 0.246 10.872 2.118 1.00 0.00 C ATOM 187 CG LYS A 20 0.768 9.827 1.130 1.00 0.00 C ATOM 188 CD LYS A 20 1.974 10.308 0.321 1.00 0.00 C ATOM 189 CE LYS A 20 3.259 10.447 1.141 1.00 0.00 C ATOM 190 NZ LYS A 20 4.403 10.804 0.273 1.00 0.00 N ATOM 0 H LYS A 20 -0.900 11.246 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.874 10.457 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.836 11.780 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.430 10.506 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.043 8.925 1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.034 9.552 0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.151 9.610 -0.497 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.736 11.272 -0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.126 11.211 1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.468 9.511 1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.187 11.155 0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.714 9.963 -0.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.113 11.545 -0.396 1.00 0.00 H new ATOM 204 N THR A 21 -2.082 12.442 3.971 1.00 0.00 N ATOM 205 CA THR A 21 -2.285 13.593 4.793 1.00 0.00 C ATOM 206 C THR A 21 -1.127 13.751 5.718 1.00 0.00 C ATOM 207 O THR A 21 -0.782 12.852 6.483 1.00 0.00 O ATOM 208 CB THR A 21 -3.596 13.652 5.521 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.765 14.837 6.285 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.857 12.447 6.439 1.00 0.00 C ATOM 0 H THR A 21 -2.475 11.583 4.356 1.00 0.00 H new ATOM 0 HA THR A 21 -2.343 14.442 4.111 1.00 0.00 H new ATOM 0 HB THR A 21 -4.325 13.638 4.711 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.151 14.824 7.049 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.824 12.565 6.928 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.860 11.532 5.847 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.073 12.388 7.194 1.00 0.00 H new ATOM 218 N ASP A 22 -0.446 14.907 5.630 1.00 0.00 N ATOM 219 CA ASP A 22 0.671 15.307 6.428 1.00 0.00 C ATOM 220 C ASP A 22 1.911 14.508 6.211 1.00 0.00 C ATOM 221 O ASP A 22 2.917 14.681 6.897 1.00 0.00 O ATOM 222 CB ASP A 22 0.328 15.396 7.925 1.00 0.00 C ATOM 223 CG ASP A 22 -1.039 16.017 8.175 1.00 0.00 C ATOM 224 OD1 ASP A 22 -1.165 17.269 8.137 1.00 0.00 O ATOM 225 OD2 ASP A 22 -2.004 15.253 8.447 1.00 0.00 O ATOM 0 H ASP A 22 -0.698 15.619 4.944 1.00 0.00 H new ATOM 0 HA ASP A 22 0.900 16.311 6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.355 14.397 8.360 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.090 15.986 8.434 1.00 0.00 H new ATOM 230 N GLY A 23 1.880 13.578 5.240 1.00 0.00 N ATOM 231 CA GLY A 23 2.825 12.519 5.074 1.00 0.00 C ATOM 232 C GLY A 23 2.470 11.359 5.941 1.00 0.00 C ATOM 233 O GLY A 23 2.952 11.275 7.069 1.00 0.00 O ATOM 0 H GLY A 23 1.150 13.566 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.849 12.206 4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.825 12.874 5.323 1.00 0.00 H new ATOM 237 N SER A 24 1.598 10.457 5.458 1.00 0.00 N ATOM 238 CA SER A 24 0.953 9.387 6.157 1.00 0.00 C ATOM 239 C SER A 24 -0.190 8.951 5.306 1.00 0.00 C ATOM 240 O SER A 24 -1.116 9.705 5.013 1.00 0.00 O ATOM 241 CB SER A 24 0.318 9.688 7.525 1.00 0.00 C ATOM 242 OG SER A 24 1.305 9.890 8.525 1.00 0.00 O ATOM 0 H SER A 24 1.317 10.481 4.478 1.00 0.00 H new ATOM 0 HA SER A 24 1.754 8.672 6.344 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.310 10.576 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.331 8.862 7.815 1.00 0.00 H new ATOM 0 HG SER A 24 2.172 10.057 8.100 1.00 0.00 H new ATOM 248 N LEU A 25 -0.167 7.672 4.893 1.00 0.00 N ATOM 249 CA LEU A 25 -1.279 6.935 4.379 1.00 0.00 C ATOM 250 C LEU A 25 -2.209 6.612 5.498 1.00 0.00 C ATOM 251 O LEU A 25 -3.433 6.594 5.386 1.00 0.00 O ATOM 252 CB LEU A 25 -0.762 5.571 3.890 1.00 0.00 C ATOM 253 CG LEU A 25 0.414 5.603 2.900 1.00 0.00 C ATOM 254 CD1 LEU A 25 1.014 4.190 2.807 1.00 0.00 C ATOM 255 CD2 LEU A 25 0.003 6.163 1.528 1.00 0.00 C ATOM 0 H LEU A 25 0.687 7.115 4.920 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.764 7.517 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.461 4.987 4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.590 5.040 3.421 1.00 0.00 H new ATOM 0 HG LEU A 25 1.178 6.288 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.850 4.195 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.365 3.878 3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.252 3.494 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.866 6.166 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.782 5.539 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.367 7.181 1.647 1.00 0.00 H new ATOM 267 N GLY A 26 -1.599 6.309 6.658 1.00 0.00 N ATOM 268 CA GLY A 26 -2.278 5.991 7.877 1.00 0.00 C ATOM 269 C GLY A 26 -2.267 4.523 8.131 1.00 0.00 C ATOM 270 O GLY A 26 -3.221 3.971 8.677 1.00 0.00 O ATOM 0 H GLY A 26 -0.584 6.285 6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.801 6.510 8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.307 6.347 7.827 1.00 0.00 H new ATOM 274 N ILE A 27 -1.174 3.841 7.744 1.00 0.00 N ATOM 275 CA ILE A 27 -1.003 2.458 8.068 1.00 0.00 C ATOM 276 C ILE A 27 0.234 2.282 8.881 1.00 0.00 C ATOM 277 O ILE A 27 1.275 2.870 8.593 1.00 0.00 O ATOM 278 CB ILE A 27 -1.032 1.560 6.867 1.00 0.00 C ATOM 279 CG1 ILE A 27 0.025 1.905 5.804 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.462 1.636 6.306 1.00 0.00 C ATOM 281 CD1 ILE A 27 0.155 0.839 4.717 1.00 0.00 C ATOM 0 H ILE A 27 -0.408 4.247 7.206 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.860 2.148 8.666 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.772 0.544 7.164 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.232 2.858 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.991 2.038 6.291 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.542 0.998 5.426 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.169 1.298 7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.690 2.665 6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.917 1.143 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.442 -0.110 5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.800 0.723 4.205 1.00 0.00 H new ATOM 293 N SER A 28 0.148 1.464 9.946 1.00 0.00 N ATOM 294 CA SER A 28 1.288 0.882 10.583 1.00 0.00 C ATOM 295 C SER A 28 1.685 -0.362 9.866 1.00 0.00 C ATOM 296 O SER A 28 0.899 -1.299 9.741 1.00 0.00 O ATOM 297 CB SER A 28 1.144 0.455 12.053 1.00 0.00 C ATOM 298 OG SER A 28 0.838 1.570 12.877 1.00 0.00 O ATOM 0 H SER A 28 -0.739 1.200 10.375 1.00 0.00 H new ATOM 0 HA SER A 28 2.010 1.698 10.549 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.358 -0.295 12.143 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.069 -0.010 12.393 1.00 0.00 H new ATOM 0 HG SER A 28 0.749 1.275 13.807 1.00 0.00 H new ATOM 304 N VAL A 29 2.940 -0.419 9.386 1.00 0.00 N ATOM 305 CA VAL A 29 3.422 -1.526 8.619 1.00 0.00 C ATOM 306 C VAL A 29 3.940 -2.679 9.408 1.00 0.00 C ATOM 307 O VAL A 29 4.730 -2.534 10.340 1.00 0.00 O ATOM 308 CB VAL A 29 4.459 -1.058 7.641 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.743 -0.248 6.548 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.550 -0.246 8.358 1.00 0.00 C ATOM 0 H VAL A 29 3.632 0.316 9.533 1.00 0.00 H new ATOM 0 HA VAL A 29 2.545 -1.916 8.102 1.00 0.00 H new ATOM 0 HB VAL A 29 4.968 -1.903 7.178 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.473 0.106 5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.010 -0.881 6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.237 0.605 7.000 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.293 0.085 7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.100 0.623 8.839 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.031 -0.869 9.112 1.00 0.00 H new ATOM 320 N THR A 30 3.536 -3.915 9.068 1.00 0.00 N ATOM 321 CA THR A 30 4.018 -5.127 9.655 1.00 0.00 C ATOM 322 C THR A 30 4.580 -6.010 8.594 1.00 0.00 C ATOM 323 O THR A 30 4.350 -5.832 7.399 1.00 0.00 O ATOM 324 CB THR A 30 3.020 -5.849 10.510 1.00 0.00 C ATOM 325 OG1 THR A 30 3.489 -7.048 11.111 1.00 0.00 O ATOM 326 CG2 THR A 30 1.753 -6.205 9.715 1.00 0.00 C ATOM 0 H THR A 30 2.835 -4.078 8.345 1.00 0.00 H new ATOM 0 HA THR A 30 4.807 -4.841 10.351 1.00 0.00 H new ATOM 0 HB THR A 30 2.814 -5.136 11.308 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.417 -6.975 12.086 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.051 -6.727 10.365 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.290 -5.292 9.340 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.019 -6.848 8.876 1.00 0.00 H new ATOM 334 N GLY A 31 5.397 -6.991 9.017 1.00 0.00 N ATOM 335 CA GLY A 31 6.114 -7.881 8.159 1.00 0.00 C ATOM 336 C GLY A 31 7.356 -7.296 7.581 1.00 0.00 C ATOM 337 O GLY A 31 8.022 -6.457 8.186 1.00 0.00 O ATOM 0 H GLY A 31 5.565 -7.172 10.007 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.374 -8.779 8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.458 -8.192 7.346 1.00 0.00 H new ATOM 341 N GLY A 32 7.703 -7.737 6.359 1.00 0.00 N ATOM 342 CA GLY A 32 8.856 -7.312 5.626 1.00 0.00 C ATOM 343 C GLY A 32 9.531 -8.508 5.049 1.00 0.00 C ATOM 344 O GLY A 32 9.553 -9.567 5.674 1.00 0.00 O ATOM 0 H GLY A 32 7.148 -8.428 5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.565 -6.624 4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.541 -6.772 6.280 1.00 0.00 H new ATOM 348 N VAL A 33 10.151 -8.379 3.862 1.00 0.00 N ATOM 349 CA VAL A 33 10.820 -9.413 3.134 1.00 0.00 C ATOM 350 C VAL A 33 11.869 -10.144 3.899 1.00 0.00 C ATOM 351 O VAL A 33 12.225 -11.276 3.578 1.00 0.00 O ATOM 352 CB VAL A 33 11.416 -8.888 1.862 1.00 0.00 C ATOM 353 CG1 VAL A 33 12.710 -8.091 2.098 1.00 0.00 C ATOM 354 CG2 VAL A 33 11.666 -10.013 0.842 1.00 0.00 C ATOM 0 H VAL A 33 10.187 -7.483 3.375 1.00 0.00 H new ATOM 0 HA VAL A 33 10.033 -10.136 2.918 1.00 0.00 H new ATOM 0 HB VAL A 33 10.677 -8.202 1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.097 -7.735 1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.500 -7.239 2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.451 -8.733 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.098 -9.592 -0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.355 -10.743 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 33 10.722 -10.502 0.601 1.00 0.00 H new ATOM 364 N ASN A 34 12.387 -9.518 4.972 1.00 0.00 N ATOM 365 CA ASN A 34 13.467 -9.978 5.788 1.00 0.00 C ATOM 366 C ASN A 34 13.321 -11.376 6.280 1.00 0.00 C ATOM 367 O ASN A 34 14.156 -12.230 5.982 1.00 0.00 O ATOM 368 CB ASN A 34 13.681 -8.970 6.930 1.00 0.00 C ATOM 369 CG ASN A 34 14.992 -9.135 7.686 1.00 0.00 C ATOM 370 OD1 ASN A 34 15.772 -10.070 7.516 1.00 0.00 O ATOM 371 ND2 ASN A 34 15.250 -8.167 8.605 1.00 0.00 N ATOM 0 H ASN A 34 12.021 -8.621 5.292 1.00 0.00 H new ATOM 0 HA ASN A 34 14.358 -10.026 5.162 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.639 -7.961 6.519 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.856 -9.061 7.636 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.101 -8.210 9.166 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.593 -7.398 8.734 1.00 0.00 H new ATOM 378 N THR A 35 12.265 -11.697 7.048 1.00 0.00 N ATOM 379 CA THR A 35 12.186 -12.985 7.665 1.00 0.00 C ATOM 380 C THR A 35 10.782 -13.427 7.895 1.00 0.00 C ATOM 381 O THR A 35 10.358 -14.465 7.387 1.00 0.00 O ATOM 382 CB THR A 35 13.057 -13.102 8.880 1.00 0.00 C ATOM 383 OG1 THR A 35 13.005 -14.385 9.488 1.00 0.00 O ATOM 384 CG2 THR A 35 12.769 -12.056 9.970 1.00 0.00 C ATOM 0 H THR A 35 11.478 -11.077 7.240 1.00 0.00 H new ATOM 0 HA THR A 35 12.599 -13.693 6.947 1.00 0.00 H new ATOM 0 HB THR A 35 14.053 -12.923 8.476 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.593 -14.400 10.272 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.443 -12.213 10.812 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.922 -11.056 9.564 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.737 -12.157 10.307 1.00 0.00 H new ATOM 392 N SER A 36 9.975 -12.654 8.645 1.00 0.00 N ATOM 393 CA SER A 36 8.749 -13.048 9.264 1.00 0.00 C ATOM 394 C SER A 36 7.605 -13.369 8.364 1.00 0.00 C ATOM 395 O SER A 36 6.616 -13.958 8.797 1.00 0.00 O ATOM 396 CB SER A 36 8.323 -11.962 10.268 1.00 0.00 C ATOM 397 OG SER A 36 8.443 -10.661 9.712 1.00 0.00 O ATOM 0 H SER A 36 10.200 -11.677 8.832 1.00 0.00 H new ATOM 0 HA SER A 36 8.980 -14.000 9.742 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.291 -12.134 10.575 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.938 -12.033 11.165 1.00 0.00 H new ATOM 0 HG SER A 36 8.163 -9.995 10.374 1.00 0.00 H new ATOM 403 N VAL A 37 7.679 -13.012 7.070 1.00 0.00 N ATOM 404 CA VAL A 37 6.633 -13.231 6.121 1.00 0.00 C ATOM 405 C VAL A 37 6.962 -14.286 5.121 1.00 0.00 C ATOM 406 O VAL A 37 6.218 -14.461 4.156 1.00 0.00 O ATOM 407 CB VAL A 37 6.314 -11.947 5.415 1.00 0.00 C ATOM 408 CG1 VAL A 37 6.018 -10.856 6.458 1.00 0.00 C ATOM 409 CG2 VAL A 37 7.445 -11.503 4.473 1.00 0.00 C ATOM 0 H VAL A 37 8.498 -12.554 6.670 1.00 0.00 H new ATOM 0 HA VAL A 37 5.767 -13.584 6.680 1.00 0.00 H new ATOM 0 HB VAL A 37 5.435 -12.112 4.792 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.785 -9.920 5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.168 -11.158 7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.891 -10.715 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.167 -10.569 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.359 -11.354 5.047 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.612 -12.271 3.718 1.00 0.00 H new ATOM 419 N ARG A 38 8.085 -15.010 5.272 1.00 0.00 N ATOM 420 CA ARG A 38 8.607 -15.938 4.317 1.00 0.00 C ATOM 421 C ARG A 38 8.902 -15.312 2.997 1.00 0.00 C ATOM 422 O ARG A 38 8.341 -15.671 1.962 1.00 0.00 O ATOM 423 CB ARG A 38 7.754 -17.210 4.178 1.00 0.00 C ATOM 424 CG ARG A 38 8.428 -18.398 3.490 1.00 0.00 C ATOM 425 CD ARG A 38 7.437 -19.496 3.099 1.00 0.00 C ATOM 426 NE ARG A 38 8.163 -20.650 2.497 1.00 0.00 N ATOM 427 CZ ARG A 38 8.554 -20.737 1.192 1.00 0.00 C ATOM 428 NH1 ARG A 38 8.379 -19.718 0.301 1.00 0.00 N ATOM 429 NH2 ARG A 38 9.101 -21.899 0.728 1.00 0.00 N ATOM 0 H ARG A 38 8.662 -14.943 6.110 1.00 0.00 H new ATOM 0 HA ARG A 38 9.565 -16.259 4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.439 -17.523 5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.851 -16.959 3.622 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.947 -18.049 2.598 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.184 -18.817 4.155 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.881 -19.824 3.977 1.00 0.00 H new ATOM 0 HD3 ARG A 38 6.709 -19.104 2.389 1.00 0.00 H new ATOM 0 HE ARG A 38 8.385 -21.436 3.108 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.940 -18.847 0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.687 -19.827 -0.665 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.215 -22.695 1.355 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.395 -21.971 -0.246 1.00 0.00 H new ATOM 443 N HIS A 39 9.798 -14.309 2.991 1.00 0.00 N ATOM 444 CA HIS A 39 10.230 -13.568 1.847 1.00 0.00 C ATOM 445 C HIS A 39 9.164 -12.974 0.993 1.00 0.00 C ATOM 446 O HIS A 39 8.793 -13.519 -0.046 1.00 0.00 O ATOM 447 CB HIS A 39 11.190 -14.372 0.951 1.00 0.00 C ATOM 448 CG HIS A 39 12.446 -14.863 1.609 1.00 0.00 C ATOM 449 ND1 HIS A 39 13.185 -15.806 0.925 1.00 0.00 N ATOM 450 CD2 HIS A 39 13.108 -14.472 2.731 1.00 0.00 C ATOM 451 CE1 HIS A 39 14.282 -15.979 1.638 1.00 0.00 C ATOM 452 NE2 HIS A 39 14.285 -15.191 2.747 1.00 0.00 N ATOM 0 H HIS A 39 10.253 -13.994 3.848 1.00 0.00 H new ATOM 0 HA HIS A 39 10.746 -12.728 2.312 1.00 0.00 H new ATOM 0 HB2 HIS A 39 10.651 -15.232 0.554 1.00 0.00 H new ATOM 0 HB3 HIS A 39 11.468 -13.750 0.100 1.00 0.00 H new ATOM 0 HD2 HIS A 39 12.779 -13.747 3.460 1.00 0.00 H new ATOM 0 HE1 HIS A 39 15.077 -16.660 1.374 1.00 0.00 H new ATOM 0 HE2 HIS A 39 15.018 -15.141 3.455 1.00 0.00 H new ATOM 460 N GLY A 40 8.630 -11.796 1.365 1.00 0.00 N ATOM 461 CA GLY A 40 7.568 -11.165 0.644 1.00 0.00 C ATOM 462 C GLY A 40 7.689 -9.682 0.572 1.00 0.00 C ATOM 463 O GLY A 40 8.621 -9.138 -0.018 1.00 0.00 O ATOM 0 H GLY A 40 8.942 -11.272 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.539 -11.568 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 40 6.619 -11.420 1.116 1.00 0.00 H new ATOM 467 N GLY A 41 6.711 -8.966 1.158 1.00 0.00 N ATOM 468 CA GLY A 41 6.674 -7.536 1.130 1.00 0.00 C ATOM 469 C GLY A 41 6.070 -7.013 2.388 1.00 0.00 C ATOM 470 O GLY A 41 6.396 -7.528 3.457 1.00 0.00 O ATOM 0 H GLY A 41 5.931 -9.389 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.683 -7.141 1.011 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.095 -7.196 0.271 1.00 0.00 H new ATOM 474 N ILE A 42 5.187 -6.000 2.331 1.00 0.00 N ATOM 475 CA ILE A 42 4.701 -5.407 3.537 1.00 0.00 C ATOM 476 C ILE A 42 3.233 -5.625 3.677 1.00 0.00 C ATOM 477 O ILE A 42 2.543 -5.974 2.721 1.00 0.00 O ATOM 478 CB ILE A 42 5.202 -4.006 3.722 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.547 -3.705 5.190 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.279 -2.908 3.170 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.821 -4.416 5.646 1.00 0.00 C ATOM 0 H ILE A 42 4.816 -5.599 1.470 1.00 0.00 H new ATOM 0 HA ILE A 42 5.128 -5.920 4.399 1.00 0.00 H new ATOM 0 HB ILE A 42 6.109 -3.975 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.668 -2.629 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.716 -4.011 5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.727 -1.931 3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.143 -3.052 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.311 -2.962 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.021 -4.171 6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.692 -5.494 5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.659 -4.091 5.030 1.00 0.00 H new ATOM 493 N TYR A 43 2.703 -5.551 4.911 1.00 0.00 N ATOM 494 CA TYR A 43 1.360 -5.925 5.231 1.00 0.00 C ATOM 495 C TYR A 43 0.879 -4.909 6.210 1.00 0.00 C ATOM 496 O TYR A 43 1.681 -4.304 6.920 1.00 0.00 O ATOM 497 CB TYR A 43 1.281 -7.334 5.843 1.00 0.00 C ATOM 498 CG TYR A 43 1.859 -8.385 4.960 1.00 0.00 C ATOM 499 CD1 TYR A 43 3.222 -8.565 4.904 1.00 0.00 C ATOM 500 CD2 TYR A 43 1.058 -9.179 4.176 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.776 -9.446 4.006 1.00 0.00 C ATOM 502 CE2 TYR A 43 1.602 -10.094 3.305 1.00 0.00 C ATOM 503 CZ TYR A 43 2.968 -10.206 3.194 1.00 0.00 C ATOM 504 OH TYR A 43 3.598 -11.048 2.253 1.00 0.00 O ATOM 0 H TYR A 43 3.231 -5.218 5.718 1.00 0.00 H new ATOM 0 HA TYR A 43 0.747 -5.954 4.330 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.807 -7.340 6.798 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.239 -7.576 6.052 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.863 -8.009 5.572 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.016 -9.083 4.245 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.850 -9.541 3.938 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.957 -10.723 2.709 1.00 0.00 H new ATOM 0 HH TYR A 43 2.918 -11.533 1.741 1.00 0.00 H new ATOM 514 N VAL A 44 -0.432 -4.630 6.300 1.00 0.00 N ATOM 515 CA VAL A 44 -0.928 -3.641 7.206 1.00 0.00 C ATOM 516 C VAL A 44 -1.211 -4.223 8.549 1.00 0.00 C ATOM 517 O VAL A 44 -1.864 -5.259 8.661 1.00 0.00 O ATOM 518 CB VAL A 44 -2.196 -3.014 6.705 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.506 -1.795 7.590 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.055 -2.602 5.231 1.00 0.00 C ATOM 0 H VAL A 44 -1.152 -5.091 5.743 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.146 -2.886 7.282 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.015 -3.731 6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.425 -1.320 7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.629 -2.118 8.624 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.684 -1.082 7.528 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.986 -2.150 4.889 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.243 -1.881 5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.836 -3.482 4.627 1.00 0.00 H new ATOM 530 N LYS A 45 -0.739 -3.583 9.634 1.00 0.00 N ATOM 531 CA LYS A 45 -1.011 -3.983 10.980 1.00 0.00 C ATOM 532 C LYS A 45 -2.140 -3.201 11.557 1.00 0.00 C ATOM 533 O LYS A 45 -3.089 -3.755 12.109 1.00 0.00 O ATOM 534 CB LYS A 45 0.228 -3.798 11.873 1.00 0.00 C ATOM 535 CG LYS A 45 0.418 -4.874 12.945 1.00 0.00 C ATOM 536 CD LYS A 45 -0.601 -4.863 14.085 1.00 0.00 C ATOM 537 CE LYS A 45 -0.250 -5.855 15.195 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.294 -5.852 16.244 1.00 0.00 N ATOM 0 H LYS A 45 -0.146 -2.756 9.571 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.282 -5.038 10.950 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.115 -3.777 11.239 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.163 -2.826 12.362 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.385 -5.851 12.463 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.415 -4.763 13.372 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.660 -3.859 14.505 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.588 -5.101 13.688 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.150 -6.857 14.777 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.714 -5.594 15.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.039 -6.531 16.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.371 -4.900 16.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.207 -6.123 15.826 1.00 0.00 H new ATOM 552 N ALA A 46 -2.064 -1.860 11.487 1.00 0.00 N ATOM 553 CA ALA A 46 -2.987 -0.992 12.150 1.00 0.00 C ATOM 554 C ALA A 46 -3.457 0.091 11.239 1.00 0.00 C ATOM 555 O ALA A 46 -2.673 0.906 10.755 1.00 0.00 O ATOM 556 CB ALA A 46 -2.350 -0.405 13.420 1.00 0.00 C ATOM 0 H ALA A 46 -1.345 -1.368 10.957 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.859 -1.579 12.441 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.064 0.254 13.914 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.075 -1.214 14.096 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.459 0.162 13.151 1.00 0.00 H new ATOM 562 N ILE A 47 -4.775 0.118 10.974 1.00 0.00 N ATOM 563 CA ILE A 47 -5.459 1.091 10.178 1.00 0.00 C ATOM 564 C ILE A 47 -5.886 2.225 11.044 1.00 0.00 C ATOM 565 O ILE A 47 -6.518 2.030 12.082 1.00 0.00 O ATOM 566 CB ILE A 47 -6.680 0.500 9.537 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.355 -0.705 8.639 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.492 1.540 8.748 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.562 -0.343 7.384 1.00 0.00 C ATOM 0 H ILE A 47 -5.408 -0.592 11.343 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.777 1.433 9.400 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.294 0.146 10.365 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.789 -1.435 9.217 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.287 -1.187 8.342 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.364 1.060 8.304 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.817 2.334 9.420 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.871 1.964 7.959 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.371 -1.244 6.802 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.135 0.363 6.783 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.614 0.111 7.671 1.00 0.00 H new ATOM 581 N ILE A 48 -5.574 3.474 10.655 1.00 0.00 N ATOM 582 CA ILE A 48 -6.030 4.640 11.346 1.00 0.00 C ATOM 583 C ILE A 48 -7.448 4.931 10.996 1.00 0.00 C ATOM 584 O ILE A 48 -7.702 5.143 9.812 1.00 0.00 O ATOM 585 CB ILE A 48 -5.207 5.834 10.964 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.767 5.680 11.482 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.809 7.149 11.487 1.00 0.00 C ATOM 588 CD1 ILE A 48 -2.917 6.853 10.994 1.00 0.00 C ATOM 0 H ILE A 48 -4.992 3.678 9.843 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.937 4.446 12.415 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.202 5.882 9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.764 5.644 12.571 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.342 4.740 11.131 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.177 7.984 11.185 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.808 7.282 11.073 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.869 7.115 12.575 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.897 6.741 11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.909 6.868 9.904 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.337 7.787 11.367 1.00 0.00 H new ATOM 600 N PRO A 49 -8.408 4.990 11.870 1.00 0.00 N ATOM 601 CA PRO A 49 -9.767 5.238 11.486 1.00 0.00 C ATOM 602 C PRO A 49 -10.057 6.683 11.266 1.00 0.00 C ATOM 603 O PRO A 49 -10.894 7.238 11.977 1.00 0.00 O ATOM 604 CB PRO A 49 -10.553 4.660 12.661 1.00 0.00 C ATOM 605 CG PRO A 49 -9.668 4.957 13.881 1.00 0.00 C ATOM 606 CD PRO A 49 -8.259 4.762 13.300 1.00 0.00 C ATOM 0 HA PRO A 49 -10.024 4.787 10.527 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.533 5.128 12.755 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.721 3.590 12.541 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.818 5.968 14.259 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.868 4.275 14.707 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.550 5.463 13.740 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.883 3.759 13.503 1.00 0.00 H new ATOM 614 N LYS A 50 -9.464 7.304 10.231 1.00 0.00 N ATOM 615 CA LYS A 50 -9.690 8.651 9.806 1.00 0.00 C ATOM 616 C LYS A 50 -8.742 9.154 8.773 1.00 0.00 C ATOM 617 O LYS A 50 -9.095 10.063 8.024 1.00 0.00 O ATOM 618 CB LYS A 50 -9.716 9.726 10.905 1.00 0.00 C ATOM 619 CG LYS A 50 -8.452 9.872 11.755 1.00 0.00 C ATOM 620 CD LYS A 50 -8.568 10.957 12.828 1.00 0.00 C ATOM 621 CE LYS A 50 -8.574 12.384 12.275 1.00 0.00 C ATOM 622 NZ LYS A 50 -8.673 13.378 13.367 1.00 0.00 N ATOM 0 H LYS A 50 -8.775 6.828 9.648 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.692 8.528 9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.923 10.688 10.435 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.551 9.511 11.572 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.232 8.918 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.609 10.103 11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.484 10.795 13.396 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.738 10.853 13.526 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.664 12.559 11.701 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.412 12.508 11.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.675 14.337 12.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.554 13.224 13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -7.860 13.273 14.007 1.00 0.00 H new ATOM 636 N GLY A 51 -7.497 8.649 8.695 1.00 0.00 N ATOM 637 CA GLY A 51 -6.398 9.314 8.067 1.00 0.00 C ATOM 638 C GLY A 51 -6.468 9.490 6.589 1.00 0.00 C ATOM 639 O GLY A 51 -6.695 10.593 6.095 1.00 0.00 O ATOM 0 H GLY A 51 -7.247 7.741 9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.295 10.300 8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.489 8.759 8.299 1.00 0.00 H new ATOM 643 N ALA A 52 -6.256 8.409 5.818 1.00 0.00 N ATOM 644 CA ALA A 52 -6.269 8.511 4.393 1.00 0.00 C ATOM 645 C ALA A 52 -6.605 7.202 3.764 1.00 0.00 C ATOM 646 O ALA A 52 -7.562 7.102 2.997 1.00 0.00 O ATOM 647 CB ALA A 52 -4.948 9.089 3.855 1.00 0.00 C ATOM 0 H ALA A 52 -6.077 7.472 6.178 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.055 9.214 4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.994 9.152 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.791 10.085 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.122 8.440 4.146 1.00 0.00 H new ATOM 653 N ALA A 53 -5.853 6.127 4.060 1.00 0.00 N ATOM 654 CA ALA A 53 -6.043 4.846 3.455 1.00 0.00 C ATOM 655 C ALA A 53 -7.304 4.153 3.843 1.00 0.00 C ATOM 656 O ALA A 53 -7.994 3.601 2.988 1.00 0.00 O ATOM 657 CB ALA A 53 -4.782 3.987 3.654 1.00 0.00 C ATOM 0 H ALA A 53 -5.092 6.150 4.739 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.183 5.013 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.930 3.011 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.928 4.482 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.594 3.859 4.720 1.00 0.00 H new ATOM 663 N GLU A 54 -7.729 4.234 5.117 1.00 0.00 N ATOM 664 CA GLU A 54 -9.022 3.837 5.579 1.00 0.00 C ATOM 665 C GLU A 54 -10.142 4.433 4.798 1.00 0.00 C ATOM 666 O GLU A 54 -11.163 3.800 4.530 1.00 0.00 O ATOM 667 CB GLU A 54 -9.187 4.268 7.047 1.00 0.00 C ATOM 668 CG GLU A 54 -10.562 4.119 7.701 1.00 0.00 C ATOM 669 CD GLU A 54 -11.184 2.730 7.748 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.516 1.761 8.194 1.00 0.00 O ATOM 671 OE2 GLU A 54 -12.401 2.613 7.441 1.00 0.00 O ATOM 0 H GLU A 54 -7.137 4.596 5.865 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.074 2.755 5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.473 3.698 7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.897 5.316 7.119 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.487 4.486 8.725 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.254 4.777 7.177 1.00 0.00 H new ATOM 678 N SER A 55 -9.971 5.690 4.351 1.00 0.00 N ATOM 679 CA SER A 55 -10.944 6.378 3.562 1.00 0.00 C ATOM 680 C SER A 55 -11.297 5.802 2.235 1.00 0.00 C ATOM 681 O SER A 55 -12.344 6.127 1.675 1.00 0.00 O ATOM 682 CB SER A 55 -10.675 7.888 3.436 1.00 0.00 C ATOM 683 OG SER A 55 -9.858 8.298 2.350 1.00 0.00 O ATOM 0 H SER A 55 -9.135 6.242 4.543 1.00 0.00 H new ATOM 0 HA SER A 55 -11.835 6.215 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.634 8.399 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.210 8.230 4.361 1.00 0.00 H new ATOM 0 HG SER A 55 -8.939 7.991 2.498 1.00 0.00 H new ATOM 689 N ASP A 56 -10.476 4.881 1.699 1.00 0.00 N ATOM 690 CA ASP A 56 -10.834 4.028 0.609 1.00 0.00 C ATOM 691 C ASP A 56 -11.900 3.074 1.028 1.00 0.00 C ATOM 692 O ASP A 56 -13.080 3.244 0.724 1.00 0.00 O ATOM 693 CB ASP A 56 -9.593 3.291 0.079 1.00 0.00 C ATOM 694 CG ASP A 56 -9.955 2.405 -1.105 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.185 2.947 -2.220 1.00 0.00 O ATOM 696 OD2 ASP A 56 -10.083 1.170 -0.892 1.00 0.00 O ATOM 0 H ASP A 56 -9.527 4.725 2.038 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.232 4.636 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.835 4.015 -0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.158 2.684 0.873 1.00 0.00 H new ATOM 701 N GLY A 57 -11.532 2.019 1.776 1.00 0.00 N ATOM 702 CA GLY A 57 -12.483 1.286 2.553 1.00 0.00 C ATOM 703 C GLY A 57 -12.370 -0.196 2.444 1.00 0.00 C ATOM 704 O GLY A 57 -12.832 -0.915 3.329 1.00 0.00 O ATOM 0 H GLY A 57 -10.575 1.673 1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -12.371 1.569 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -13.486 1.583 2.248 1.00 0.00 H new ATOM 708 N ARG A 58 -11.744 -0.721 1.375 1.00 0.00 N ATOM 709 CA ARG A 58 -11.556 -2.130 1.215 1.00 0.00 C ATOM 710 C ARG A 58 -10.493 -2.691 2.096 1.00 0.00 C ATOM 711 O ARG A 58 -10.377 -3.907 2.247 1.00 0.00 O ATOM 712 CB ARG A 58 -11.215 -2.486 -0.243 1.00 0.00 C ATOM 713 CG ARG A 58 -12.268 -2.121 -1.291 1.00 0.00 C ATOM 714 CD ARG A 58 -11.951 -0.852 -2.086 1.00 0.00 C ATOM 715 NE ARG A 58 -12.510 -0.953 -3.463 1.00 0.00 N ATOM 716 CZ ARG A 58 -13.799 -0.687 -3.826 1.00 0.00 C ATOM 717 NH1 ARG A 58 -14.765 -0.293 -2.946 1.00 0.00 N ATOM 718 NH2 ARG A 58 -14.161 -0.807 -5.137 1.00 0.00 N ATOM 0 H ARG A 58 -11.364 -0.161 0.612 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.507 -2.577 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -10.282 -1.989 -0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.032 -3.559 -0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.376 -2.954 -1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -13.230 -1.994 -0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -12.370 0.017 -1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.872 -0.704 -2.134 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.872 -1.248 -4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.540 -0.183 -1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.712 -0.108 -3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.472 -1.093 -5.832 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.121 -0.611 -5.421 1.00 0.00 H new ATOM 732 N ILE A 59 -9.656 -1.838 2.711 1.00 0.00 N ATOM 733 CA ILE A 59 -8.543 -2.221 3.525 1.00 0.00 C ATOM 734 C ILE A 59 -8.922 -2.582 4.919 1.00 0.00 C ATOM 735 O ILE A 59 -9.775 -1.941 5.532 1.00 0.00 O ATOM 736 CB ILE A 59 -7.473 -1.172 3.594 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.693 -0.022 2.597 1.00 0.00 C ATOM 738 CG2 ILE A 59 -6.130 -1.899 3.405 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.514 0.947 2.532 1.00 0.00 C ATOM 0 H ILE A 59 -9.761 -0.826 2.637 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.154 -3.105 3.020 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.492 -0.670 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.869 -0.438 1.605 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.592 0.527 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.316 -1.176 3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.001 -2.637 4.197 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.120 -2.400 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.730 1.735 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.351 1.389 3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.618 0.409 2.223 1.00 0.00 H new ATOM 751 N HIS A 60 -8.277 -3.606 5.508 1.00 0.00 N ATOM 752 CA HIS A 60 -8.378 -3.912 6.901 1.00 0.00 C ATOM 753 C HIS A 60 -7.035 -4.234 7.460 1.00 0.00 C ATOM 754 O HIS A 60 -6.013 -4.117 6.785 1.00 0.00 O ATOM 755 CB HIS A 60 -9.376 -5.050 7.168 1.00 0.00 C ATOM 756 CG HIS A 60 -8.970 -6.346 6.530 1.00 0.00 C ATOM 757 ND1 HIS A 60 -8.417 -7.362 7.281 1.00 0.00 N ATOM 758 CD2 HIS A 60 -8.916 -6.654 5.207 1.00 0.00 C ATOM 759 CE1 HIS A 60 -8.007 -8.259 6.404 1.00 0.00 C ATOM 760 NE2 HIS A 60 -8.273 -7.873 5.128 1.00 0.00 N ATOM 0 H HIS A 60 -7.665 -4.242 4.997 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.763 -3.027 7.408 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.474 -5.196 8.244 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.358 -4.760 6.795 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.298 -6.066 4.386 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.520 -9.186 6.668 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.042 -8.385 4.277 1.00 0.00 H new ATOM 768 N LYS A 61 -6.964 -4.661 8.735 1.00 0.00 N ATOM 769 CA LYS A 61 -5.749 -4.930 9.438 1.00 0.00 C ATOM 770 C LYS A 61 -5.188 -6.277 9.133 1.00 0.00 C ATOM 771 O LYS A 61 -4.951 -7.101 10.014 1.00 0.00 O ATOM 772 CB LYS A 61 -5.981 -4.828 10.954 1.00 0.00 C ATOM 773 CG LYS A 61 -6.554 -3.485 11.410 1.00 0.00 C ATOM 774 CD LYS A 61 -6.540 -3.352 12.935 1.00 0.00 C ATOM 775 CE LYS A 61 -7.547 -2.322 13.454 1.00 0.00 C ATOM 776 NZ LYS A 61 -7.476 -2.240 14.930 1.00 0.00 N ATOM 0 H LYS A 61 -7.796 -4.826 9.302 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.029 -4.182 9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.660 -5.623 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.035 -5.000 11.468 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.975 -2.674 10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.576 -3.383 11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.758 -4.322 13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.539 -3.069 13.261 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.338 -1.345 13.017 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.555 -2.600 13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.163 -1.538 15.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.697 -3.170 15.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.518 -1.954 15.216 1.00 0.00 H new ATOM 790 N GLY A 62 -4.947 -6.551 7.838 1.00 0.00 N ATOM 791 CA GLY A 62 -4.480 -7.832 7.406 1.00 0.00 C ATOM 792 C GLY A 62 -4.103 -7.901 5.966 1.00 0.00 C ATOM 793 O GLY A 62 -3.540 -8.907 5.535 1.00 0.00 O ATOM 0 H GLY A 62 -5.077 -5.877 7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.615 -8.111 8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.256 -8.572 7.601 1.00 0.00 H new ATOM 797 N ASP A 63 -4.385 -6.867 5.154 1.00 0.00 N ATOM 798 CA ASP A 63 -4.104 -6.897 3.752 1.00 0.00 C ATOM 799 C ASP A 63 -2.662 -6.763 3.399 1.00 0.00 C ATOM 800 O ASP A 63 -1.833 -6.253 4.152 1.00 0.00 O ATOM 801 CB ASP A 63 -4.898 -5.820 2.995 1.00 0.00 C ATOM 802 CG ASP A 63 -6.387 -6.130 3.033 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.808 -7.270 2.698 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.180 -5.204 3.353 1.00 0.00 O ATOM 0 H ASP A 63 -4.814 -5.999 5.474 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.417 -7.895 3.443 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.713 -4.843 3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.558 -5.769 1.961 1.00 0.00 H new ATOM 809 N ARG A 64 -2.319 -7.243 2.191 1.00 0.00 N ATOM 810 CA ARG A 64 -0.982 -7.276 1.684 1.00 0.00 C ATOM 811 C ARG A 64 -0.705 -6.060 0.870 1.00 0.00 C ATOM 812 O ARG A 64 -1.408 -5.794 -0.104 1.00 0.00 O ATOM 813 CB ARG A 64 -0.822 -8.526 0.801 1.00 0.00 C ATOM 814 CG ARG A 64 0.570 -8.646 0.177 1.00 0.00 C ATOM 815 CD ARG A 64 0.842 -9.885 -0.677 1.00 0.00 C ATOM 816 NE ARG A 64 2.278 -9.716 -1.037 1.00 0.00 N ATOM 817 CZ ARG A 64 2.894 -10.223 -2.145 1.00 0.00 C ATOM 818 NH1 ARG A 64 2.293 -11.130 -2.970 1.00 0.00 N ATOM 819 NH2 ARG A 64 4.151 -9.779 -2.438 1.00 0.00 N ATOM 0 H ARG A 64 -3.004 -7.625 1.538 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.280 -7.306 2.518 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.023 -9.414 1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.569 -8.501 0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.742 -7.764 -0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.305 -8.620 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.668 -10.807 -0.122 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.203 -9.919 -1.559 1.00 0.00 H new ATOM 0 HE ARG A 64 2.854 -9.171 -0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.347 -11.454 -2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.790 -11.483 -3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.601 -9.089 -1.837 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.640 -10.137 -3.258 1.00 0.00 H new ATOM 833 N VAL A 65 0.337 -5.276 1.196 1.00 0.00 N ATOM 834 CA VAL A 65 0.778 -4.154 0.426 1.00 0.00 C ATOM 835 C VAL A 65 1.919 -4.599 -0.424 1.00 0.00 C ATOM 836 O VAL A 65 3.002 -4.928 0.057 1.00 0.00 O ATOM 837 CB VAL A 65 1.171 -2.952 1.231 1.00 0.00 C ATOM 838 CG1 VAL A 65 0.744 -1.685 0.472 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.594 -2.972 2.657 1.00 0.00 C ATOM 0 H VAL A 65 0.898 -5.431 2.034 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.072 -3.822 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 65 2.254 -2.963 1.354 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.025 -0.804 1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.240 -1.657 -0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.336 -1.694 0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.913 -2.077 3.191 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.495 -2.997 2.609 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.955 -3.856 3.183 1.00 0.00 H new ATOM 849 N LEU A 66 1.691 -4.670 -1.748 1.00 0.00 N ATOM 850 CA LEU A 66 2.645 -5.137 -2.705 1.00 0.00 C ATOM 851 C LEU A 66 3.306 -4.060 -3.495 1.00 0.00 C ATOM 852 O LEU A 66 4.439 -4.273 -3.927 1.00 0.00 O ATOM 853 CB LEU A 66 2.104 -6.222 -3.651 1.00 0.00 C ATOM 854 CG LEU A 66 0.836 -5.902 -4.461 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.878 -6.650 -5.804 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.437 -6.298 -3.694 1.00 0.00 C ATOM 0 H LEU A 66 0.805 -4.390 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 66 3.408 -5.593 -2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.896 -6.477 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.906 -7.115 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 66 0.809 -4.826 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.021 -6.422 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.756 -6.336 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.929 -7.723 -5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.314 -6.058 -4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.420 -7.368 -3.489 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.481 -5.749 -2.754 1.00 0.00 H new ATOM 868 N ALA A 67 2.705 -2.878 -3.716 1.00 0.00 N ATOM 869 CA ALA A 67 3.415 -1.851 -4.413 1.00 0.00 C ATOM 870 C ALA A 67 2.846 -0.491 -4.195 1.00 0.00 C ATOM 871 O ALA A 67 1.792 -0.326 -3.585 1.00 0.00 O ATOM 872 CB ALA A 67 3.468 -2.144 -5.922 1.00 0.00 C ATOM 0 H ALA A 67 1.758 -2.637 -3.423 1.00 0.00 H new ATOM 0 HA ALA A 67 4.423 -1.856 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 67 4.013 -1.348 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.974 -3.095 -6.091 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.454 -2.198 -6.318 1.00 0.00 H new ATOM 878 N VAL A 68 3.547 0.552 -4.677 1.00 0.00 N ATOM 879 CA VAL A 68 3.077 1.900 -4.587 1.00 0.00 C ATOM 880 C VAL A 68 3.410 2.716 -5.789 1.00 0.00 C ATOM 881 O VAL A 68 4.570 2.829 -6.179 1.00 0.00 O ATOM 882 CB VAL A 68 3.516 2.525 -3.296 1.00 0.00 C ATOM 883 CG1 VAL A 68 5.019 2.851 -3.258 1.00 0.00 C ATOM 884 CG2 VAL A 68 2.600 3.732 -3.034 1.00 0.00 C ATOM 0 H VAL A 68 4.453 0.458 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 68 1.987 1.872 -4.576 1.00 0.00 H new ATOM 0 HB VAL A 68 3.407 1.812 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.270 3.300 -2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.594 1.934 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.260 3.550 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.890 4.213 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.693 4.444 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.566 3.395 -2.962 1.00 0.00 H new ATOM 894 N ASN A 69 2.431 3.281 -6.518 1.00 0.00 N ATOM 895 CA ASN A 69 2.494 3.574 -7.916 1.00 0.00 C ATOM 896 C ASN A 69 3.329 2.711 -8.798 1.00 0.00 C ATOM 897 O ASN A 69 4.064 3.163 -9.674 1.00 0.00 O ATOM 898 CB ASN A 69 2.501 5.075 -8.254 1.00 0.00 C ATOM 899 CG ASN A 69 3.797 5.864 -8.138 1.00 0.00 C ATOM 900 OD1 ASN A 69 3.877 6.971 -8.670 1.00 0.00 O ATOM 901 ND2 ASN A 69 4.841 5.353 -7.432 1.00 0.00 N ATOM 0 H ASN A 69 1.539 3.550 -6.104 1.00 0.00 H new ATOM 0 HA ASN A 69 1.514 3.214 -8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.145 5.180 -9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.766 5.558 -7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.704 5.889 -7.338 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.761 4.434 -6.996 1.00 0.00 H new ATOM 908 N GLY A 70 3.232 1.384 -8.595 1.00 0.00 N ATOM 909 CA GLY A 70 3.991 0.366 -9.253 1.00 0.00 C ATOM 910 C GLY A 70 5.371 0.161 -8.731 1.00 0.00 C ATOM 911 O GLY A 70 6.167 -0.559 -9.333 1.00 0.00 O ATOM 0 H GLY A 70 2.573 0.996 -7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.448 -0.576 -9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.054 0.611 -10.313 1.00 0.00 H new ATOM 915 N VAL A 71 5.726 0.767 -7.584 1.00 0.00 N ATOM 916 CA VAL A 71 7.001 0.606 -6.957 1.00 0.00 C ATOM 917 C VAL A 71 6.847 -0.467 -5.935 1.00 0.00 C ATOM 918 O VAL A 71 6.239 -0.290 -4.881 1.00 0.00 O ATOM 919 CB VAL A 71 7.574 1.846 -6.339 1.00 0.00 C ATOM 920 CG1 VAL A 71 8.976 1.568 -5.770 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.665 2.943 -7.412 1.00 0.00 C ATOM 0 H VAL A 71 5.102 1.392 -7.074 1.00 0.00 H new ATOM 0 HA VAL A 71 7.722 0.348 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 71 6.926 2.170 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.376 2.480 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.912 0.791 -5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.635 1.236 -6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.081 3.849 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.309 2.605 -8.224 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.669 3.153 -7.803 1.00 0.00 H new ATOM 931 N SER A 72 7.349 -1.667 -6.279 1.00 0.00 N ATOM 932 CA SER A 72 7.160 -2.893 -5.569 1.00 0.00 C ATOM 933 C SER A 72 7.730 -2.934 -4.194 1.00 0.00 C ATOM 934 O SER A 72 8.898 -2.639 -3.943 1.00 0.00 O ATOM 935 CB SER A 72 7.683 -4.098 -6.367 1.00 0.00 C ATOM 936 OG SER A 72 7.277 -5.335 -5.800 1.00 0.00 O ATOM 0 H SER A 72 7.927 -1.787 -7.111 1.00 0.00 H new ATOM 0 HA SER A 72 6.078 -2.951 -5.452 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.323 -4.035 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.772 -4.059 -6.408 1.00 0.00 H new ATOM 0 HG SER A 72 7.630 -6.073 -6.339 1.00 0.00 H new ATOM 942 N LEU A 73 6.886 -3.370 -3.241 1.00 0.00 N ATOM 943 CA LEU A 73 7.206 -3.667 -1.879 1.00 0.00 C ATOM 944 C LEU A 73 7.618 -5.093 -1.742 1.00 0.00 C ATOM 945 O LEU A 73 8.082 -5.509 -0.681 1.00 0.00 O ATOM 946 CB LEU A 73 5.987 -3.402 -0.980 1.00 0.00 C ATOM 947 CG LEU A 73 5.686 -1.903 -0.812 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.194 -1.605 -0.591 1.00 0.00 C ATOM 949 CD2 LEU A 73 6.486 -1.341 0.376 1.00 0.00 C ATOM 0 H LEU A 73 5.898 -3.527 -3.442 1.00 0.00 H new ATOM 0 HA LEU A 73 8.031 -3.024 -1.572 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.114 -3.898 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 73 6.161 -3.845 0.000 1.00 0.00 H new ATOM 0 HG LEU A 73 5.981 -1.423 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.050 -0.530 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.621 -1.961 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.851 -2.112 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.269 -0.279 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.204 -1.869 1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.552 -1.476 0.193 1.00 0.00 H new ATOM 961 N GLU A 74 7.514 -5.918 -2.800 1.00 0.00 N ATOM 962 CA GLU A 74 8.042 -7.246 -2.790 1.00 0.00 C ATOM 963 C GLU A 74 9.523 -7.186 -2.949 1.00 0.00 C ATOM 964 O GLU A 74 10.051 -6.785 -3.986 1.00 0.00 O ATOM 965 CB GLU A 74 7.385 -8.138 -3.858 1.00 0.00 C ATOM 966 CG GLU A 74 7.649 -9.633 -3.671 1.00 0.00 C ATOM 967 CD GLU A 74 6.827 -10.475 -4.635 1.00 0.00 C ATOM 968 OE1 GLU A 74 5.575 -10.338 -4.642 1.00 0.00 O ATOM 969 OE2 GLU A 74 7.413 -11.293 -5.395 1.00 0.00 O ATOM 0 H GLU A 74 7.057 -5.659 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 74 7.808 -7.709 -1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.309 -7.966 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.747 -7.836 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.709 -9.837 -3.823 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.413 -9.919 -2.646 1.00 0.00 H new ATOM 976 N GLY A 75 10.259 -7.491 -1.866 1.00 0.00 N ATOM 977 CA GLY A 75 11.647 -7.168 -1.746 1.00 0.00 C ATOM 978 C GLY A 75 11.925 -6.120 -0.724 1.00 0.00 C ATOM 979 O GLY A 75 13.084 -5.801 -0.462 1.00 0.00 O ATOM 0 H GLY A 75 9.879 -7.975 -1.052 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.202 -8.071 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.018 -6.829 -2.713 1.00 0.00 H new ATOM 983 N ALA A 76 10.891 -5.541 -0.088 1.00 0.00 N ATOM 984 CA ALA A 76 11.048 -4.520 0.900 1.00 0.00 C ATOM 985 C ALA A 76 10.877 -5.023 2.292 1.00 0.00 C ATOM 986 O ALA A 76 10.058 -5.888 2.595 1.00 0.00 O ATOM 987 CB ALA A 76 10.096 -3.348 0.608 1.00 0.00 C ATOM 0 H ALA A 76 9.918 -5.790 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 76 12.077 -4.167 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.225 -2.577 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.322 -2.932 -0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.066 -3.704 0.623 1.00 0.00 H new ATOM 993 N THR A 77 11.694 -4.496 3.222 1.00 0.00 N ATOM 994 CA THR A 77 11.771 -4.826 4.611 1.00 0.00 C ATOM 995 C THR A 77 10.858 -3.942 5.390 1.00 0.00 C ATOM 996 O THR A 77 9.994 -3.279 4.818 1.00 0.00 O ATOM 997 CB THR A 77 13.164 -4.630 5.135 1.00 0.00 C ATOM 998 OG1 THR A 77 13.647 -3.311 4.932 1.00 0.00 O ATOM 999 CG2 THR A 77 14.143 -5.534 4.368 1.00 0.00 C ATOM 0 H THR A 77 12.365 -3.768 2.974 1.00 0.00 H new ATOM 0 HA THR A 77 11.484 -5.872 4.720 1.00 0.00 H new ATOM 0 HB THR A 77 13.111 -4.857 6.200 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.555 -3.236 5.292 1.00 0.00 H new ATOM 0 HG21 THR A 77 15.152 -5.387 4.753 1.00 0.00 H new ATOM 0 HG22 THR A 77 13.853 -6.577 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 77 14.119 -5.280 3.308 1.00 0.00 H new ATOM 1007 N HIS A 78 11.023 -3.815 6.719 1.00 0.00 N ATOM 1008 CA HIS A 78 10.375 -2.799 7.489 1.00 0.00 C ATOM 1009 C HIS A 78 10.807 -1.437 7.068 1.00 0.00 C ATOM 1010 O HIS A 78 9.986 -0.570 6.772 1.00 0.00 O ATOM 1011 CB HIS A 78 10.612 -2.952 9.000 1.00 0.00 C ATOM 1012 CG HIS A 78 10.130 -1.829 9.871 1.00 0.00 C ATOM 1013 ND1 HIS A 78 10.625 -1.609 11.129 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.242 -0.828 9.627 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.090 -0.507 11.621 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.247 -0.018 10.730 1.00 0.00 N ATOM 0 H HIS A 78 11.620 -4.432 7.270 1.00 0.00 H new ATOM 0 HA HIS A 78 9.309 -2.923 7.297 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.128 -3.871 9.330 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.682 -3.078 9.166 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.301 -2.203 11.610 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.648 -0.698 8.735 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.305 -0.078 12.588 1.00 0.00 H new ATOM 1025 N LYS A 79 12.130 -1.200 7.006 1.00 0.00 N ATOM 1026 CA LYS A 79 12.709 0.032 6.569 1.00 0.00 C ATOM 1027 C LYS A 79 12.450 0.338 5.134 1.00 0.00 C ATOM 1028 O LYS A 79 11.971 1.422 4.807 1.00 0.00 O ATOM 1029 CB LYS A 79 14.227 0.013 6.823 1.00 0.00 C ATOM 1030 CG LYS A 79 14.609 0.402 8.253 1.00 0.00 C ATOM 1031 CD LYS A 79 14.632 1.924 8.414 1.00 0.00 C ATOM 1032 CE LYS A 79 14.969 2.392 9.832 1.00 0.00 C ATOM 1033 NZ LYS A 79 15.214 3.851 9.822 1.00 0.00 N ATOM 0 H LYS A 79 12.825 -1.897 7.272 1.00 0.00 H new ATOM 0 HA LYS A 79 12.229 0.820 7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.611 -0.985 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.713 0.696 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.897 -0.032 8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.589 -0.009 8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.362 2.342 7.721 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.658 2.324 8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.149 2.154 10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 79 15.850 1.867 10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 15.443 4.171 10.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.010 4.065 9.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.362 4.344 9.487 1.00 0.00 H new ATOM 1047 N GLN A 80 12.711 -0.602 4.209 1.00 0.00 N ATOM 1048 CA GLN A 80 12.435 -0.391 2.822 1.00 0.00 C ATOM 1049 C GLN A 80 10.989 -0.196 2.518 1.00 0.00 C ATOM 1050 O GLN A 80 10.663 0.589 1.629 1.00 0.00 O ATOM 1051 CB GLN A 80 13.027 -1.514 1.955 1.00 0.00 C ATOM 1052 CG GLN A 80 14.398 -1.187 1.359 1.00 0.00 C ATOM 1053 CD GLN A 80 15.381 -0.666 2.398 1.00 0.00 C ATOM 1054 OE1 GLN A 80 15.723 0.515 2.423 1.00 0.00 O ATOM 1055 NE2 GLN A 80 15.839 -1.562 3.313 1.00 0.00 N ATOM 0 H GLN A 80 13.116 -1.513 4.423 1.00 0.00 H new ATOM 0 HA GLN A 80 12.928 0.548 2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.111 -2.418 2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.334 -1.736 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.809 -2.082 0.892 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.279 -0.443 0.572 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.538 -2.536 3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 80 16.483 -1.260 4.044 1.00 0.00 H new ATOM 1064 N ALA A 81 10.052 -0.838 3.239 1.00 0.00 N ATOM 1065 CA ALA A 81 8.661 -0.584 3.034 1.00 0.00 C ATOM 1066 C ALA A 81 8.231 0.794 3.404 1.00 0.00 C ATOM 1067 O ALA A 81 7.492 1.436 2.658 1.00 0.00 O ATOM 1068 CB ALA A 81 7.793 -1.576 3.826 1.00 0.00 C ATOM 0 H ALA A 81 10.257 -1.530 3.960 1.00 0.00 H new ATOM 0 HA ALA A 81 8.518 -0.705 1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.739 -1.358 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.013 -2.593 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.011 -1.481 4.890 1.00 0.00 H new ATOM 1074 N VAL A 82 8.708 1.320 4.546 1.00 0.00 N ATOM 1075 CA VAL A 82 8.430 2.661 4.960 1.00 0.00 C ATOM 1076 C VAL A 82 8.904 3.647 3.948 1.00 0.00 C ATOM 1077 O VAL A 82 8.133 4.470 3.459 1.00 0.00 O ATOM 1078 CB VAL A 82 9.027 2.961 6.303 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.010 4.456 6.661 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.233 2.185 7.367 1.00 0.00 C ATOM 0 H VAL A 82 9.300 0.803 5.196 1.00 0.00 H new ATOM 0 HA VAL A 82 7.347 2.751 5.047 1.00 0.00 H new ATOM 0 HB VAL A 82 10.074 2.658 6.270 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.457 4.600 7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.580 5.014 5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.981 4.815 6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.651 2.389 8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.189 2.499 7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.295 1.117 7.160 1.00 0.00 H new ATOM 1090 N GLU A 83 10.174 3.552 3.512 1.00 0.00 N ATOM 1091 CA GLU A 83 10.748 4.408 2.521 1.00 0.00 C ATOM 1092 C GLU A 83 10.118 4.312 1.174 1.00 0.00 C ATOM 1093 O GLU A 83 10.016 5.295 0.442 1.00 0.00 O ATOM 1094 CB GLU A 83 12.256 4.129 2.413 1.00 0.00 C ATOM 1095 CG GLU A 83 13.040 4.437 3.690 1.00 0.00 C ATOM 1096 CD GLU A 83 13.291 5.924 3.892 1.00 0.00 C ATOM 1097 OE1 GLU A 83 12.336 6.683 4.209 1.00 0.00 O ATOM 1098 OE2 GLU A 83 14.472 6.339 3.750 1.00 0.00 O ATOM 0 H GLU A 83 10.826 2.851 3.864 1.00 0.00 H new ATOM 0 HA GLU A 83 10.559 5.427 2.860 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.403 3.081 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.667 4.721 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.493 4.047 4.548 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.996 3.914 3.657 1.00 0.00 H new ATOM 1105 N THR A 84 9.624 3.124 0.783 1.00 0.00 N ATOM 1106 CA THR A 84 8.854 2.884 -0.398 1.00 0.00 C ATOM 1107 C THR A 84 7.582 3.660 -0.412 1.00 0.00 C ATOM 1108 O THR A 84 7.268 4.306 -1.412 1.00 0.00 O ATOM 1109 CB THR A 84 8.544 1.434 -0.624 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.754 0.731 -0.864 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.629 1.149 -1.826 1.00 0.00 C ATOM 0 H THR A 84 9.773 2.275 1.329 1.00 0.00 H new ATOM 0 HA THR A 84 9.493 3.224 -1.213 1.00 0.00 H new ATOM 0 HB THR A 84 8.022 1.112 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.089 0.359 -0.021 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.462 0.075 -1.909 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.674 1.655 -1.685 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.102 1.514 -2.738 1.00 0.00 H new ATOM 1119 N LEU A 85 6.827 3.697 0.700 1.00 0.00 N ATOM 1120 CA LEU A 85 5.539 4.315 0.756 1.00 0.00 C ATOM 1121 C LEU A 85 5.594 5.763 1.104 1.00 0.00 C ATOM 1122 O LEU A 85 4.887 6.577 0.511 1.00 0.00 O ATOM 1123 CB LEU A 85 4.720 3.524 1.790 1.00 0.00 C ATOM 1124 CG LEU A 85 4.310 2.131 1.283 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.100 1.152 2.450 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.038 2.177 0.419 1.00 0.00 C ATOM 0 H LEU A 85 7.121 3.285 1.586 1.00 0.00 H new ATOM 0 HA LEU A 85 5.077 4.286 -0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.304 3.416 2.704 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.825 4.090 2.048 1.00 0.00 H new ATOM 0 HG LEU A 85 5.133 1.778 0.661 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.811 0.176 2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.027 1.056 3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.313 1.528 3.104 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.789 1.170 0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.213 2.579 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.210 2.815 -0.448 1.00 0.00 H new ATOM 1138 N ARG A 86 6.448 6.165 2.062 1.00 0.00 N ATOM 1139 CA ARG A 86 6.609 7.520 2.488 1.00 0.00 C ATOM 1140 C ARG A 86 7.344 8.392 1.529 1.00 0.00 C ATOM 1141 O ARG A 86 6.893 9.506 1.265 1.00 0.00 O ATOM 1142 CB ARG A 86 7.119 7.549 3.939 1.00 0.00 C ATOM 1143 CG ARG A 86 7.915 8.745 4.464 1.00 0.00 C ATOM 1144 CD ARG A 86 9.407 8.639 4.140 1.00 0.00 C ATOM 1145 NE ARG A 86 10.054 9.860 4.697 1.00 0.00 N ATOM 1146 CZ ARG A 86 11.377 10.156 4.536 1.00 0.00 C ATOM 1147 NH1 ARG A 86 12.253 9.306 3.926 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.870 11.340 5.003 1.00 0.00 N ATOM 0 H ARG A 86 7.054 5.515 2.562 1.00 0.00 H new ATOM 0 HA ARG A 86 5.627 7.994 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.250 7.433 4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.740 6.664 4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.516 9.662 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.785 8.819 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.836 7.739 4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.566 8.574 3.064 1.00 0.00 H new ATOM 0 HE ARG A 86 9.476 10.511 5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.927 8.408 3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 86 13.234 9.569 3.827 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.250 12.001 5.471 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.858 11.563 4.884 1.00 0.00 H new ATOM 1162 N ASN A 87 8.465 7.966 0.919 1.00 0.00 N ATOM 1163 CA ASN A 87 9.315 8.832 0.164 1.00 0.00 C ATOM 1164 C ASN A 87 8.906 8.925 -1.265 1.00 0.00 C ATOM 1165 O ASN A 87 9.711 8.924 -2.194 1.00 0.00 O ATOM 1166 CB ASN A 87 10.788 8.421 0.326 1.00 0.00 C ATOM 1167 CG ASN A 87 11.746 9.551 -0.019 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.514 10.729 0.250 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.899 9.187 -0.643 1.00 0.00 N ATOM 0 H ASN A 87 8.787 6.999 0.952 1.00 0.00 H new ATOM 0 HA ASN A 87 9.205 9.838 0.568 1.00 0.00 H new ATOM 0 HB2 ASN A 87 10.962 8.101 1.353 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.996 7.564 -0.314 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.588 9.896 -0.896 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.075 8.206 -0.858 1.00 0.00 H new ATOM 1176 N THR A 88 7.578 9.028 -1.460 1.00 0.00 N ATOM 1177 CA THR A 88 6.828 9.190 -2.667 1.00 0.00 C ATOM 1178 C THR A 88 6.458 10.624 -2.834 1.00 0.00 C ATOM 1179 O THR A 88 6.911 11.485 -2.081 1.00 0.00 O ATOM 1180 CB THR A 88 5.591 8.347 -2.589 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.870 8.578 -1.387 1.00 0.00 O ATOM 1182 CG2 THR A 88 6.024 6.871 -2.546 1.00 0.00 C ATOM 0 H THR A 88 6.950 8.992 -0.657 1.00 0.00 H new ATOM 0 HA THR A 88 7.427 8.877 -3.522 1.00 0.00 H new ATOM 0 HB THR A 88 4.965 8.592 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.953 7.797 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.141 6.234 -2.489 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.587 6.631 -3.448 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.651 6.701 -1.671 1.00 0.00 H new ATOM 1190 N GLY A 89 5.595 10.956 -3.811 1.00 0.00 N ATOM 1191 CA GLY A 89 5.089 12.280 -4.003 1.00 0.00 C ATOM 1192 C GLY A 89 3.846 12.514 -3.215 1.00 0.00 C ATOM 1193 O GLY A 89 3.772 12.210 -2.025 1.00 0.00 O ATOM 0 H GLY A 89 5.238 10.282 -4.489 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.848 13.006 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.885 12.442 -5.061 1.00 0.00 H new ATOM 1197 N GLN A 90 2.801 13.089 -3.837 1.00 0.00 N ATOM 1198 CA GLN A 90 1.546 13.327 -3.194 1.00 0.00 C ATOM 1199 C GLN A 90 0.574 12.217 -3.408 1.00 0.00 C ATOM 1200 O GLN A 90 0.014 11.705 -2.440 1.00 0.00 O ATOM 1201 CB GLN A 90 0.944 14.677 -3.614 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.346 15.086 -2.900 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.200 15.257 -1.394 1.00 0.00 C ATOM 1204 OE1 GLN A 90 0.062 16.344 -0.884 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.394 14.146 -0.631 1.00 0.00 N ATOM 0 H GLN A 90 2.829 13.396 -4.809 1.00 0.00 H new ATOM 0 HA GLN A 90 1.751 13.367 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.691 15.453 -3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.749 14.648 -4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.703 16.023 -3.328 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.110 14.334 -3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.611 13.254 -1.075 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.323 14.206 0.385 1.00 0.00 H new ATOM 1214 N VAL A 91 0.329 11.803 -4.664 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.529 10.703 -4.974 1.00 0.00 C ATOM 1216 C VAL A 91 0.167 9.400 -4.774 1.00 0.00 C ATOM 1217 O VAL A 91 1.275 9.172 -5.257 1.00 0.00 O ATOM 1218 CB VAL A 91 -1.102 10.704 -6.361 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.825 9.397 -6.728 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -2.077 11.891 -6.415 1.00 0.00 C ATOM 0 H VAL A 91 0.739 12.246 -5.486 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.360 10.829 -4.279 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.295 10.791 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.214 9.469 -7.744 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.125 8.564 -6.665 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.650 9.230 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.529 11.946 -7.405 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.858 11.755 -5.667 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.536 12.815 -6.212 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.506 8.485 -4.054 1.00 0.00 N ATOM 1231 CA VAL A 92 -0.087 7.129 -3.876 1.00 0.00 C ATOM 1232 C VAL A 92 -1.175 6.240 -4.371 1.00 0.00 C ATOM 1233 O VAL A 92 -2.272 6.171 -3.818 1.00 0.00 O ATOM 1234 CB VAL A 92 0.212 6.852 -2.433 1.00 0.00 C ATOM 1235 CG1 VAL A 92 1.578 7.488 -2.119 1.00 0.00 C ATOM 1236 CG2 VAL A 92 -0.918 7.355 -1.520 1.00 0.00 C ATOM 0 H VAL A 92 -1.381 8.700 -3.575 1.00 0.00 H new ATOM 0 HA VAL A 92 0.829 6.944 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 92 0.266 5.780 -2.242 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.832 7.308 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.341 7.046 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.530 8.562 -2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.670 7.139 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.038 8.431 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.849 6.853 -1.783 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.912 5.500 -5.462 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.675 4.343 -5.810 1.00 0.00 C ATOM 1248 C HIS A 93 -1.184 3.185 -5.011 1.00 0.00 C ATOM 1249 O HIS A 93 -0.223 2.520 -5.397 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.603 3.965 -7.299 1.00 0.00 C ATOM 1251 CG HIS A 93 -2.070 5.058 -8.215 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.201 6.075 -8.552 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -3.268 5.237 -8.835 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -1.888 6.871 -9.350 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.149 6.406 -9.558 1.00 0.00 N ATOM 0 H HIS A 93 -0.156 5.709 -6.114 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.715 4.587 -5.595 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.575 3.705 -7.551 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -2.208 3.075 -7.470 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.135 4.595 -8.774 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -1.497 7.779 -9.784 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -3.869 6.838 -10.137 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.817 2.902 -3.859 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.488 1.817 -2.986 1.00 0.00 C ATOM 1265 C LEU A 94 -1.928 0.526 -3.587 1.00 0.00 C ATOM 1266 O LEU A 94 -3.121 0.249 -3.695 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.191 1.940 -1.625 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.674 3.016 -0.654 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -1.981 2.593 0.792 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.155 3.225 -0.783 1.00 0.00 C ATOM 0 H LEU A 94 -2.600 3.460 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.408 1.848 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.248 2.132 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.125 0.974 -1.124 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.177 3.950 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.615 3.355 1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.058 2.479 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.488 1.644 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.168 3.993 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.361 2.291 -0.562 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.084 3.540 -1.799 1.00 0.00 H new ATOM 1282 N LEU A 95 -0.971 -0.319 -4.007 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.280 -1.620 -4.517 1.00 0.00 C ATOM 1284 C LEU A 95 -1.403 -2.599 -3.400 1.00 0.00 C ATOM 1285 O LEU A 95 -0.413 -3.072 -2.845 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.227 -2.081 -5.537 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.839 -2.625 -6.840 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.289 -3.119 -7.762 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -1.881 -3.730 -6.605 1.00 0.00 C ATOM 0 H LEU A 95 0.025 -0.100 -3.993 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.238 -1.564 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.430 -1.244 -5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.393 -2.855 -5.084 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.379 -1.807 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.140 -3.505 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.960 -2.291 -7.991 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.847 -3.911 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.273 -4.070 -7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.413 -4.567 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.697 -3.338 -5.998 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.661 -2.895 -3.026 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.037 -3.796 -1.981 1.00 0.00 C ATOM 1303 C LEU A 96 -3.604 -5.040 -2.574 1.00 0.00 C ATOM 1304 O LEU A 96 -4.207 -4.997 -3.645 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.091 -3.131 -1.081 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.541 -1.972 -0.232 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.589 -0.860 -0.060 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -3.036 -2.495 1.123 1.00 0.00 C ATOM 0 H LEU A 96 -3.469 -2.476 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.158 -4.045 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.904 -2.759 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.517 -3.884 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.694 -1.531 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.170 -0.056 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.870 -0.470 -1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.471 -1.265 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.650 -1.664 1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.858 -2.969 1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.242 -3.223 0.959 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.439 -6.199 -1.913 1.00 0.00 N ATOM 1321 CA GLU A 97 -4.121 -7.419 -2.216 1.00 0.00 C ATOM 1322 C GLU A 97 -4.815 -7.887 -0.984 1.00 0.00 C ATOM 1323 O GLU A 97 -4.335 -7.685 0.131 1.00 0.00 O ATOM 1324 CB GLU A 97 -3.197 -8.551 -2.697 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.931 -9.728 -3.344 1.00 0.00 C ATOM 1326 CD GLU A 97 -3.031 -10.890 -3.738 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -2.729 -11.742 -2.861 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.648 -10.995 -4.934 1.00 0.00 O ATOM 0 H GLU A 97 -2.796 -6.290 -1.126 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.808 -7.198 -3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.484 -8.143 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.620 -8.919 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.691 -10.091 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.453 -9.371 -4.232 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.977 -8.549 -1.136 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.721 -9.130 -0.063 1.00 0.00 C ATOM 1337 C LYS A 98 -6.001 -10.150 0.753 1.00 0.00 C ATOM 1338 O LYS A 98 -5.651 -11.235 0.293 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.061 -9.702 -0.556 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.227 -8.746 -0.298 1.00 0.00 C ATOM 1341 CD LYS A 98 -9.623 -8.695 1.179 1.00 0.00 C ATOM 1342 CE LYS A 98 -10.235 -7.371 1.644 1.00 0.00 C ATOM 1343 NZ LYS A 98 -9.219 -6.295 1.624 1.00 0.00 N ATOM 0 H LYS A 98 -6.416 -8.685 -2.047 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.891 -8.292 0.613 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.994 -9.911 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.255 -10.651 -0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.954 -7.745 -0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.087 -9.057 -0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.336 -9.495 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.739 -8.900 1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.070 -7.103 0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.635 -7.483 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.592 -5.456 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.357 -6.622 2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.993 -6.049 0.639 1.00 0.00 H new ATOM 1357 N GLY A 99 -5.784 -9.829 2.040 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.197 -10.703 3.008 1.00 0.00 C ATOM 1359 C GLY A 99 -6.251 -11.364 3.828 1.00 0.00 C ATOM 1360 O GLY A 99 -6.332 -11.195 5.044 1.00 0.00 O ATOM 0 H GLY A 99 -6.029 -8.917 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -4.594 -11.458 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.526 -10.139 3.656 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.112 -12.153 3.162 1.00 0.00 N ATOM 1365 CA GLN A 100 -8.198 -12.874 3.751 1.00 0.00 C ATOM 1366 C GLN A 100 -8.301 -14.164 3.014 1.00 0.00 C ATOM 1367 O GLN A 100 -7.815 -14.274 1.888 1.00 0.00 O ATOM 1368 CB GLN A 100 -9.494 -12.054 3.639 1.00 0.00 C ATOM 1369 CG GLN A 100 -10.670 -12.573 4.467 1.00 0.00 C ATOM 1370 CD GLN A 100 -11.898 -11.696 4.265 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -12.539 -11.731 3.215 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -12.254 -10.878 5.291 1.00 0.00 N ATOM 0 H GLN A 100 -7.046 -12.296 2.154 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.032 -13.059 4.812 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.283 -11.028 3.942 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.795 -12.022 2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -10.899 -13.599 4.180 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.399 -12.590 5.523 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.705 -10.869 6.150 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.070 -10.273 5.201 1.00 0.00 H new ATOM 1381 N VAL A 101 -8.884 -15.212 3.623 1.00 0.00 N ATOM 1382 CA VAL A 101 -9.103 -16.483 3.007 1.00 0.00 C ATOM 1383 C VAL A 101 -10.312 -16.478 2.136 1.00 0.00 C ATOM 1384 O VAL A 101 -11.098 -15.536 2.234 1.00 0.00 O ATOM 1385 CB VAL A 101 -9.195 -17.567 4.039 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -7.862 -17.643 4.802 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -10.390 -17.368 4.987 1.00 0.00 C ATOM 0 H VAL A 101 -9.217 -15.171 4.586 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.243 -16.686 2.368 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.374 -18.518 3.537 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.918 -18.429 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.055 -17.867 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.666 -16.687 5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.415 -18.178 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.288 -16.415 5.506 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -11.316 -17.370 4.411 1.00 0.00 H new ATOM 1397 N PRO A 102 -10.550 -17.432 1.287 1.00 0.00 N ATOM 1398 CA PRO A 102 -11.806 -17.583 0.612 1.00 0.00 C ATOM 1399 C PRO A 102 -12.927 -17.894 1.543 1.00 0.00 C ATOM 1400 O PRO A 102 -13.955 -17.165 1.557 1.00 0.00 O ATOM 1401 CB PRO A 102 -11.598 -18.742 -0.362 1.00 0.00 C ATOM 1402 CG PRO A 102 -10.079 -18.810 -0.585 1.00 0.00 C ATOM 1403 CD PRO A 102 -9.535 -18.340 0.774 1.00 0.00 C ATOM 1404 OXT PRO A 102 -12.827 -18.892 2.306 1.00 0.00 O ATOM 0 HA PRO A 102 -12.086 -16.653 0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -11.978 -19.677 0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -12.127 -18.569 -1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.747 -19.819 -0.830 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -9.757 -18.162 -1.400 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.379 -19.181 1.450 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.574 -17.837 0.663 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 10.987 -3.464 16.747 1.00 0.00 N ATOM 1414 CA TYR B 205 10.067 -2.403 17.018 1.00 0.00 C ATOM 1415 C TYR B 205 8.905 -2.528 16.094 1.00 0.00 C ATOM 1416 O TYR B 205 7.755 -2.471 16.526 1.00 0.00 O ATOM 1417 CB TYR B 205 10.775 -1.040 16.940 1.00 0.00 C ATOM 1418 CG TYR B 205 9.975 0.067 17.535 1.00 0.00 C ATOM 1419 CD1 TYR B 205 8.973 0.655 16.799 1.00 0.00 C ATOM 1420 CD2 TYR B 205 10.227 0.539 18.801 1.00 0.00 C ATOM 1421 CE1 TYR B 205 8.230 1.691 17.313 1.00 0.00 C ATOM 1422 CE2 TYR B 205 9.486 1.568 19.332 1.00 0.00 C ATOM 1423 CZ TYR B 205 8.482 2.142 18.587 1.00 0.00 C ATOM 1424 OH TYR B 205 7.694 3.201 19.085 1.00 0.00 O ATOM 0 HA TYR B 205 9.684 -2.475 18.036 1.00 0.00 H new ATOM 0 HB2 TYR B 205 11.734 -1.105 17.454 1.00 0.00 H new ATOM 0 HB3 TYR B 205 10.988 -0.807 15.897 1.00 0.00 H new ATOM 0 HD1 TYR B 205 8.767 0.297 15.801 1.00 0.00 H new ATOM 0 HD2 TYR B 205 11.018 0.095 19.387 1.00 0.00 H new ATOM 0 HE1 TYR B 205 7.452 2.148 16.719 1.00 0.00 H new ATOM 0 HE2 TYR B 205 9.691 1.925 20.331 1.00 0.00 H new ATOM 0 HH TYR B 205 7.978 3.419 19.997 1.00 0.00 H new ATOM 1434 N LEU B 206 9.166 -2.727 14.790 1.00 0.00 N ATOM 1435 CA LEU B 206 8.205 -2.850 13.739 1.00 0.00 C ATOM 1436 C LEU B 206 7.438 -1.595 13.499 1.00 0.00 C ATOM 1437 O LEU B 206 7.985 -0.503 13.650 1.00 0.00 O ATOM 1438 CB LEU B 206 7.343 -4.109 13.928 1.00 0.00 C ATOM 1439 CG LEU B 206 6.663 -4.732 12.697 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.680 -5.065 11.592 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.964 -6.033 13.129 1.00 0.00 C ATOM 0 H LEU B 206 10.123 -2.808 14.446 1.00 0.00 H new ATOM 0 HA LEU B 206 8.746 -2.997 12.804 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.972 -4.875 14.381 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.563 -3.870 14.650 1.00 0.00 H new ATOM 0 HG LEU B 206 5.950 -4.010 12.299 1.00 0.00 H new ATOM 0 HD11 LEU B 206 7.161 -5.503 10.740 1.00 0.00 H new ATOM 0 HD12 LEU B 206 8.188 -4.153 11.278 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.413 -5.775 11.974 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.476 -6.488 12.267 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.702 -6.725 13.535 1.00 0.00 H new ATOM 0 HD23 LEU B 206 5.218 -5.809 13.892 1.00 0.00 H new ATOM 1453 N VAL B 207 6.162 -1.699 13.088 1.00 0.00 N ATOM 1454 CA VAL B 207 5.089 -0.753 13.100 1.00 0.00 C ATOM 1455 C VAL B 207 5.392 0.705 13.135 1.00 0.00 C ATOM 1456 O VAL B 207 5.692 1.328 14.152 1.00 0.00 O ATOM 1457 CB VAL B 207 3.960 -1.145 14.006 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.228 -2.350 13.390 1.00 0.00 C ATOM 1459 CG2 VAL B 207 4.455 -1.451 15.431 1.00 0.00 C ATOM 0 H VAL B 207 5.841 -2.581 12.689 1.00 0.00 H new ATOM 0 HA VAL B 207 4.754 -0.847 12.067 1.00 0.00 H new ATOM 0 HB VAL B 207 3.266 -0.310 14.097 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.404 -2.646 14.039 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.838 -2.076 12.410 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.923 -3.183 13.284 1.00 0.00 H new ATOM 0 HG21 VAL B 207 3.608 -1.731 16.058 1.00 0.00 H new ATOM 0 HG22 VAL B 207 5.171 -2.273 15.399 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.937 -0.566 15.847 1.00 0.00 H new ATOM 1469 N THR B 208 5.298 1.311 11.938 1.00 0.00 N ATOM 1470 CA THR B 208 5.608 2.684 11.689 1.00 0.00 C ATOM 1471 C THR B 208 4.408 3.159 10.943 1.00 0.00 C ATOM 1472 O THR B 208 4.069 2.558 9.925 1.00 0.00 O ATOM 1473 CB THR B 208 6.796 2.883 10.794 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.978 2.400 11.419 1.00 0.00 O ATOM 1475 CG2 THR B 208 7.058 4.364 10.472 1.00 0.00 C ATOM 0 H THR B 208 4.990 0.817 11.101 1.00 0.00 H new ATOM 0 HA THR B 208 5.841 3.199 12.621 1.00 0.00 H new ATOM 0 HB THR B 208 6.563 2.340 9.878 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.242 1.551 11.007 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.929 4.446 9.822 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.188 4.786 9.969 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.243 4.910 11.397 1.00 0.00 H new ATOM 1483 N SER B 209 3.733 4.206 11.451 1.00 0.00 N ATOM 1484 CA SER B 209 2.699 4.907 10.754 1.00 0.00 C ATOM 1485 C SER B 209 3.287 5.729 9.659 1.00 0.00 C ATOM 1486 O SER B 209 4.264 6.455 9.839 1.00 0.00 O ATOM 1487 CB SER B 209 1.786 5.744 11.665 1.00 0.00 C ATOM 1488 OG SER B 209 2.521 6.621 12.505 1.00 0.00 O ATOM 0 H SER B 209 3.914 4.579 12.383 1.00 0.00 H new ATOM 0 HA SER B 209 2.044 4.150 10.323 1.00 0.00 H new ATOM 0 HB2 SER B 209 1.098 6.325 11.051 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.181 5.078 12.280 1.00 0.00 H new ATOM 0 HG SER B 209 1.901 7.134 13.065 1.00 0.00 H new ATOM 1494 N VAL B 210 2.742 5.584 8.438 1.00 0.00 N ATOM 1495 CA VAL B 210 3.404 5.916 7.215 1.00 0.00 C ATOM 1496 C VAL B 210 2.254 6.098 6.235 1.00 0.00 C ATOM 1497 O VAL B 210 1.099 5.715 6.561 1.00 0.00 O ATOM 1498 CB VAL B 210 4.380 4.851 6.807 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.704 3.578 6.270 1.00 0.00 C ATOM 1500 CG2 VAL B 210 5.356 5.424 5.767 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.476 6.715 5.159 1.00 0.00 O ATOM 0 H VAL B 210 1.800 5.220 8.297 1.00 0.00 H new ATOM 0 HA VAL B 210 4.023 6.811 7.281 1.00 0.00 H new ATOM 0 HB VAL B 210 4.921 4.548 7.704 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.467 2.850 5.994 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.061 3.155 7.041 1.00 0.00 H new ATOM 0 HG13 VAL B 210 3.105 3.826 5.394 1.00 0.00 H new ATOM 0 HG21 VAL B 210 6.066 4.652 5.470 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.799 5.761 4.893 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.896 6.266 6.200 1.00 0.00 H new TER 1511 VAL B 210