USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 970 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 51 HIS : no HD1:sc= -1.33 K(o=-1.5,f=-4.5) USER MOD Set 1.2: A 56 HIS :FLIP no HD1:sc= -0.208 F(o=-2.2,f=-1.5) USER MOD Set 2.1: A 19 THR OG1 : rot 74:sc= 0.0918 USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0.0858 USER MOD Single : A 1 GLY N :NH3+ -120:sc= -0.825 (180deg=-2.4!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -154:sc= -0.12 (180deg=-0.987) USER MOD Single : A 15 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.018) USER MOD Single : A 23 MET CE :methyl -135:sc= -0.267 (180deg=-1.35!) USER MOD Single : A 25 MET CE :methyl -154:sc= -0.15 (180deg=-1.48!) USER MOD Single : A 26 LYS NZ :NH3+ -110:sc= 1.24 (180deg=-0.978) USER MOD Single : A 33 CYS SG : rot 157:sc= -1.76 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.799 F(o=-1.7,f=-0.8) USER MOD Single : A 43 GLN : amide:sc= -0.0242 K(o=-0.024,f=-1.8!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.52 X(o=-0.52,f=-0.88) USER MOD Single : A 53 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.09) USER MOD Single : A 55 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.6!) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.981 F(o=-3.9!,f=-0.98) USER MOD Single : A 64 ASN : amide:sc= -0.976! C(o=-0.98!,f=-14!) USER MOD Single : A 65 SER OG : rot 180:sc=-0.00705 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 CYS SG : rot 110:sc= -1.12 USER MOD Single : A 71 GLN :FLIP amide:sc= -3.89! C(o=-7.1!,f=-3.9!) USER MOD Single : A 76 THR OG1 : rot 70:sc= 1.21 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -4.6 F(o=-5.8!,f=-4.6) USER MOD Single : A 85 SER OG : rot -31:sc= 1.18 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.1) USER MOD Single : A 108 HIS : no HD1:sc= -0.0291 X(o=-0.029,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 101:sc= 1.27 USER MOD Single : A 120 GLN : amide:sc= -1.68! C(o=-1.7!,f=-1.7!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.58) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.979 -4.940 13.702 1.00 1.00 N ATOM 2 CA GLY A 1 -2.968 -3.822 13.725 1.00 1.00 C ATOM 3 C GLY A 1 -4.364 -4.374 13.455 1.00 1.00 C ATOM 4 O GLY A 1 -4.928 -4.166 12.382 1.00 1.00 O ATOM 0 H1 GLY A 1 -1.502 -5.001 14.624 1.00 1.00 H new ATOM 0 H2 GLY A 1 -2.471 -5.835 13.507 1.00 1.00 H new ATOM 0 H3 GLY A 1 -1.273 -4.764 12.958 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -2.944 -3.321 14.693 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -2.708 -3.077 12.973 1.00 1.00 H new ATOM 10 N PRO A 2 -4.924 -5.076 14.406 1.00 1.00 N ATOM 11 CA PRO A 2 -6.285 -5.682 14.276 1.00 1.00 C ATOM 12 C PRO A 2 -7.375 -4.623 14.085 1.00 1.00 C ATOM 13 O PRO A 2 -7.293 -3.527 14.638 1.00 1.00 O ATOM 14 CB PRO A 2 -6.477 -6.457 15.599 1.00 1.00 C ATOM 15 CG PRO A 2 -5.103 -6.600 16.179 1.00 1.00 C ATOM 16 CD PRO A 2 -4.324 -5.375 15.715 1.00 1.00 C ATOM 0 HA PRO A 2 -6.365 -6.321 13.397 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -7.136 -5.917 16.279 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -6.932 -7.431 15.421 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -5.142 -6.649 17.267 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -4.628 -7.519 15.835 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -4.433 -4.541 16.409 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -3.257 -5.583 15.632 1.00 1.00 H new ATOM 24 N LEU A 3 -8.390 -4.962 13.295 1.00 1.00 N ATOM 25 CA LEU A 3 -9.490 -4.037 13.035 1.00 1.00 C ATOM 26 C LEU A 3 -10.251 -3.737 14.323 1.00 1.00 C ATOM 27 O LEU A 3 -10.631 -2.595 14.581 1.00 1.00 O ATOM 28 CB LEU A 3 -10.449 -4.635 12.001 1.00 1.00 C ATOM 29 CG LEU A 3 -9.751 -4.750 10.636 1.00 1.00 C ATOM 30 CD1 LEU A 3 -10.627 -5.574 9.686 1.00 1.00 C ATOM 31 CD2 LEU A 3 -9.508 -3.355 10.028 1.00 1.00 C ATOM 0 H LEU A 3 -8.474 -5.864 12.826 1.00 1.00 H new ATOM 0 HA LEU A 3 -9.073 -3.108 12.645 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -10.784 -5.618 12.331 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -11.337 -4.009 11.912 1.00 1.00 H new ATOM 0 HG LEU A 3 -8.788 -5.241 10.776 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -10.135 -5.657 8.717 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -10.779 -6.570 10.103 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -11.592 -5.082 9.562 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -9.013 -3.460 9.063 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -10.462 -2.846 9.893 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -8.877 -2.771 10.698 1.00 1.00 H new ATOM 43 N GLY A 4 -10.471 -4.769 15.129 1.00 1.00 N ATOM 44 CA GLY A 4 -11.186 -4.606 16.390 1.00 1.00 C ATOM 45 C GLY A 4 -10.318 -3.903 17.425 1.00 1.00 C ATOM 46 O GLY A 4 -10.701 -3.777 18.587 1.00 1.00 O ATOM 0 H GLY A 4 -10.167 -5.723 14.934 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -12.097 -4.031 16.224 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -11.490 -5.582 16.768 1.00 1.00 H new ATOM 50 N SER A 5 -9.143 -3.450 16.998 1.00 1.00 N ATOM 51 CA SER A 5 -8.229 -2.763 17.903 1.00 1.00 C ATOM 52 C SER A 5 -8.810 -1.424 18.350 1.00 1.00 C ATOM 53 O SER A 5 -9.305 -0.646 17.535 1.00 1.00 O ATOM 54 CB SER A 5 -6.891 -2.529 17.206 1.00 1.00 C ATOM 55 OG SER A 5 -5.998 -1.883 18.103 1.00 1.00 O ATOM 0 H SER A 5 -8.804 -3.545 16.041 1.00 1.00 H new ATOM 0 HA SER A 5 -8.082 -3.390 18.782 1.00 1.00 H new ATOM 0 HB2 SER A 5 -6.469 -3.479 16.876 1.00 1.00 H new ATOM 0 HB3 SER A 5 -7.035 -1.918 16.315 1.00 1.00 H new ATOM 0 HG SER A 5 -5.138 -1.734 17.658 1.00 1.00 H new ATOM 61 N MET A 6 -8.738 -1.164 19.651 1.00 1.00 N ATOM 62 CA MET A 6 -9.252 0.083 20.203 1.00 1.00 C ATOM 63 C MET A 6 -8.444 1.266 19.681 1.00 1.00 C ATOM 64 O MET A 6 -8.996 2.322 19.374 1.00 1.00 O ATOM 65 CB MET A 6 -9.183 0.047 21.735 1.00 1.00 C ATOM 66 CG MET A 6 -10.291 -0.856 22.282 1.00 1.00 C ATOM 67 SD MET A 6 -10.292 -0.775 24.091 1.00 1.00 S ATOM 68 CE MET A 6 -8.693 -1.576 24.373 1.00 1.00 C ATOM 0 H MET A 6 -8.331 -1.797 20.340 1.00 1.00 H new ATOM 0 HA MET A 6 -10.290 0.199 19.892 1.00 1.00 H new ATOM 0 HB2 MET A 6 -8.209 -0.322 22.056 1.00 1.00 H new ATOM 0 HB3 MET A 6 -9.290 1.054 22.137 1.00 1.00 H new ATOM 0 HG2 MET A 6 -11.259 -0.540 21.892 1.00 1.00 H new ATOM 0 HG3 MET A 6 -10.134 -1.883 21.953 1.00 1.00 H new ATOM 0 HE1 MET A 6 -8.688 -2.041 25.359 1.00 1.00 H new ATOM 0 HE2 MET A 6 -8.529 -2.338 23.612 1.00 1.00 H new ATOM 0 HE3 MET A 6 -7.899 -0.832 24.318 1.00 1.00 H new ATOM 78 N GLU A 7 -7.131 1.075 19.588 1.00 1.00 N ATOM 79 CA GLU A 7 -6.229 2.124 19.109 1.00 1.00 C ATOM 80 C GLU A 7 -5.153 1.520 18.191 1.00 1.00 C ATOM 81 O GLU A 7 -4.164 0.973 18.681 1.00 1.00 O ATOM 82 CB GLU A 7 -5.557 2.799 20.310 1.00 1.00 C ATOM 83 CG GLU A 7 -6.545 3.757 20.978 1.00 1.00 C ATOM 84 CD GLU A 7 -5.940 4.330 22.255 1.00 1.00 C ATOM 85 OE1 GLU A 7 -5.280 5.354 22.166 1.00 1.00 O ATOM 86 OE2 GLU A 7 -6.147 3.741 23.304 1.00 1.00 O ATOM 0 H GLU A 7 -6.665 0.203 19.838 1.00 1.00 H new ATOM 0 HA GLU A 7 -6.803 2.859 18.544 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -5.225 2.046 21.025 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -4.670 3.343 19.985 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -6.799 4.565 20.293 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -7.472 3.232 21.209 1.00 1.00 H new ATOM 93 N PRO A 8 -5.315 1.595 16.886 1.00 1.00 N ATOM 94 CA PRO A 8 -4.323 1.028 15.926 1.00 1.00 C ATOM 95 C PRO A 8 -3.156 1.987 15.660 1.00 1.00 C ATOM 96 O PRO A 8 -3.265 3.188 15.905 1.00 1.00 O ATOM 97 CB PRO A 8 -5.161 0.806 14.662 1.00 1.00 C ATOM 98 CG PRO A 8 -6.204 1.884 14.694 1.00 1.00 C ATOM 99 CD PRO A 8 -6.446 2.222 16.176 1.00 1.00 C ATOM 0 HA PRO A 8 -3.848 0.121 16.300 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -4.547 0.877 13.764 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -5.617 -0.184 14.659 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -5.868 2.764 14.146 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -7.125 1.546 14.219 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -6.469 3.300 16.339 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -7.401 1.827 16.523 1.00 1.00 H new ATOM 107 N PRO A 9 -2.053 1.476 15.168 1.00 1.00 N ATOM 108 CA PRO A 9 -0.844 2.305 14.865 1.00 1.00 C ATOM 109 C PRO A 9 -1.124 3.338 13.775 1.00 1.00 C ATOM 110 O PRO A 9 -0.533 4.417 13.761 1.00 1.00 O ATOM 111 CB PRO A 9 0.199 1.272 14.397 1.00 1.00 C ATOM 112 CG PRO A 9 -0.597 0.088 13.950 1.00 1.00 C ATOM 113 CD PRO A 9 -1.832 0.057 14.842 1.00 1.00 C ATOM 0 HA PRO A 9 -0.512 2.884 15.726 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.808 1.667 13.584 1.00 1.00 H new ATOM 0 HB3 PRO A 9 0.880 1.006 15.205 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -0.875 0.178 12.900 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -0.020 -0.831 14.049 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.690 -0.375 14.326 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.665 -0.540 15.739 1.00 1.00 H new ATOM 121 N LEU A 10 -2.022 2.990 12.864 1.00 1.00 N ATOM 122 CA LEU A 10 -2.369 3.890 11.771 1.00 1.00 C ATOM 123 C LEU A 10 -2.864 5.230 12.327 1.00 1.00 C ATOM 124 O LEU A 10 -3.349 5.278 13.458 1.00 1.00 O ATOM 125 CB LEU A 10 -3.464 3.256 10.909 1.00 1.00 C ATOM 126 CG LEU A 10 -2.965 1.920 10.325 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.163 1.033 9.966 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.131 2.171 9.060 1.00 1.00 C ATOM 0 H LEU A 10 -2.520 2.100 12.858 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.482 4.064 11.162 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.359 3.089 11.508 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.742 3.934 10.102 1.00 1.00 H new ATOM 0 HG LEU A 10 -2.346 1.423 11.072 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.806 0.089 9.553 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.752 0.838 10.862 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.783 1.541 9.227 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -1.785 1.219 8.658 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -2.744 2.678 8.315 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.272 2.794 9.308 1.00 1.00 H new ATOM 140 N PRO A 11 -2.771 6.319 11.583 1.00 1.00 N ATOM 141 CA PRO A 11 -3.248 7.644 12.082 1.00 1.00 C ATOM 142 C PRO A 11 -4.742 7.621 12.401 1.00 1.00 C ATOM 143 O PRO A 11 -5.526 6.968 11.716 1.00 1.00 O ATOM 144 CB PRO A 11 -2.936 8.627 10.938 1.00 1.00 C ATOM 145 CG PRO A 11 -1.932 7.927 10.084 1.00 1.00 C ATOM 146 CD PRO A 11 -2.219 6.434 10.219 1.00 1.00 C ATOM 0 HA PRO A 11 -2.758 7.927 13.014 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.835 8.869 10.371 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.539 9.566 11.323 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -2.015 8.246 9.045 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.917 8.158 10.408 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.929 6.091 9.467 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.315 5.838 10.099 1.00 1.00 H new ATOM 154 N VAL A 12 -5.118 8.340 13.447 1.00 1.00 N ATOM 155 CA VAL A 12 -6.516 8.399 13.860 1.00 1.00 C ATOM 156 C VAL A 12 -7.374 9.088 12.802 1.00 1.00 C ATOM 157 O VAL A 12 -8.461 8.618 12.469 1.00 1.00 O ATOM 158 CB VAL A 12 -6.631 9.148 15.189 1.00 1.00 C ATOM 159 CG1 VAL A 12 -8.106 9.284 15.580 1.00 1.00 C ATOM 160 CG2 VAL A 12 -5.885 8.370 16.276 1.00 1.00 C ATOM 0 H VAL A 12 -4.481 8.889 14.024 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.880 7.379 13.982 1.00 1.00 H new ATOM 0 HB VAL A 12 -6.194 10.141 15.083 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -8.184 9.818 16.527 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.638 9.838 14.806 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -8.547 8.293 15.685 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -5.965 8.902 17.224 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.323 7.377 16.378 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -4.835 8.276 16.000 1.00 1.00 H new ATOM 170 N GLY A 13 -6.882 10.207 12.282 1.00 1.00 N ATOM 171 CA GLY A 13 -7.616 10.956 11.266 1.00 1.00 C ATOM 172 C GLY A 13 -7.753 10.148 9.981 1.00 1.00 C ATOM 173 O GLY A 13 -8.725 10.298 9.242 1.00 1.00 O ATOM 0 H GLY A 13 -5.984 10.614 12.544 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.605 11.214 11.644 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -7.100 11.893 11.057 1.00 1.00 H new ATOM 177 N ALA A 14 -6.768 9.300 9.716 1.00 1.00 N ATOM 178 CA ALA A 14 -6.785 8.485 8.506 1.00 1.00 C ATOM 179 C ALA A 14 -7.962 7.520 8.516 1.00 1.00 C ATOM 180 O ALA A 14 -8.292 6.930 9.545 1.00 1.00 O ATOM 181 CB ALA A 14 -5.482 7.690 8.395 1.00 1.00 C ATOM 0 H ALA A 14 -5.955 9.158 10.315 1.00 1.00 H new ATOM 0 HA ALA A 14 -6.886 9.152 7.650 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.502 7.084 7.489 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.638 8.379 8.352 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.377 7.041 9.264 1.00 1.00 H new ATOM 187 N GLN A 15 -8.578 7.352 7.349 1.00 1.00 N ATOM 188 CA GLN A 15 -9.712 6.436 7.196 1.00 1.00 C ATOM 189 C GLN A 15 -9.242 5.167 6.488 1.00 1.00 C ATOM 190 O GLN A 15 -9.416 5.051 5.276 1.00 1.00 O ATOM 191 CB GLN A 15 -10.802 7.094 6.342 1.00 1.00 C ATOM 192 CG GLN A 15 -11.219 8.444 6.957 1.00 1.00 C ATOM 193 CD GLN A 15 -12.300 8.236 8.018 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.159 8.702 9.148 1.00 1.00 O ATOM 195 NE2 GLN A 15 -13.373 7.556 7.717 1.00 1.00 N ATOM 0 H GLN A 15 -8.313 7.838 6.492 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.111 6.196 8.182 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.436 7.246 5.327 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.667 6.435 6.273 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.352 8.931 7.403 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.590 9.107 6.176 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -13.487 7.171 6.779 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -14.098 7.410 8.420 1.00 1.00 H new ATOM 204 N PRO A 16 -8.628 4.234 7.188 1.00 1.00 N ATOM 205 CA PRO A 16 -8.102 2.982 6.553 1.00 1.00 C ATOM 206 C PRO A 16 -9.206 2.173 5.878 1.00 1.00 C ATOM 207 O PRO A 16 -9.947 1.442 6.533 1.00 1.00 O ATOM 208 CB PRO A 16 -7.455 2.218 7.727 1.00 1.00 C ATOM 209 CG PRO A 16 -8.133 2.754 8.935 1.00 1.00 C ATOM 210 CD PRO A 16 -8.368 4.236 8.645 1.00 1.00 C ATOM 0 HA PRO A 16 -7.394 3.188 5.750 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -7.605 1.143 7.632 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.379 2.388 7.767 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.074 2.236 9.120 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -7.516 2.621 9.824 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -9.213 4.632 9.208 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.500 4.844 8.903 1.00 1.00 H new ATOM 218 N LEU A 17 -9.303 2.311 4.554 1.00 1.00 N ATOM 219 CA LEU A 17 -10.310 1.587 3.787 1.00 1.00 C ATOM 220 C LEU A 17 -10.051 0.092 3.863 1.00 1.00 C ATOM 221 O LEU A 17 -10.968 -0.709 4.035 1.00 1.00 O ATOM 222 CB LEU A 17 -10.246 2.001 2.318 1.00 1.00 C ATOM 223 CG LEU A 17 -10.568 3.486 2.168 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.424 3.876 0.692 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.003 3.777 2.640 1.00 1.00 C ATOM 0 H LEU A 17 -8.699 2.915 3.996 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.289 1.822 4.205 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.253 1.796 1.919 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -10.952 1.409 1.736 1.00 1.00 H new ATOM 0 HG LEU A 17 -9.878 4.067 2.780 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -10.652 4.935 0.572 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.403 3.685 0.363 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.115 3.286 0.091 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.215 4.840 2.526 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -12.707 3.200 2.041 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.105 3.497 3.689 1.00 1.00 H new ATOM 237 N ALA A 18 -8.782 -0.270 3.715 1.00 1.00 N ATOM 238 CA ALA A 18 -8.376 -1.673 3.749 1.00 1.00 C ATOM 239 C ALA A 18 -6.970 -1.792 4.314 1.00 1.00 C ATOM 240 O ALA A 18 -6.106 -0.968 4.024 1.00 1.00 O ATOM 241 CB ALA A 18 -8.401 -2.252 2.332 1.00 1.00 C ATOM 0 H ALA A 18 -8.015 0.387 3.570 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.069 -2.226 4.383 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.098 -3.299 2.361 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.410 -2.178 1.926 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -7.713 -1.692 1.698 1.00 1.00 H new ATOM 247 N THR A 19 -6.741 -2.827 5.117 1.00 1.00 N ATOM 248 CA THR A 19 -5.425 -3.051 5.717 1.00 1.00 C ATOM 249 C THR A 19 -4.999 -4.498 5.524 1.00 1.00 C ATOM 250 O THR A 19 -5.757 -5.422 5.816 1.00 1.00 O ATOM 251 CB THR A 19 -5.461 -2.696 7.207 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.272 -3.159 7.829 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.677 -3.345 7.868 1.00 1.00 C ATOM 0 H THR A 19 -7.444 -3.522 5.368 1.00 1.00 H new ATOM 0 HA THR A 19 -4.696 -2.408 5.223 1.00 1.00 H new ATOM 0 HB THR A 19 -5.533 -1.614 7.319 1.00 1.00 H new ATOM 0 HG1 THR A 19 -3.523 -2.580 7.575 1.00 1.00 H new ATOM 0 HG21 THR A 19 -6.696 -3.088 8.927 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.587 -2.983 7.391 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.616 -4.428 7.758 1.00 1.00 H new ATOM 261 N VAL A 20 -3.784 -4.692 5.005 1.00 1.00 N ATOM 262 CA VAL A 20 -3.272 -6.038 4.750 1.00 1.00 C ATOM 263 C VAL A 20 -1.796 -6.144 5.118 1.00 1.00 C ATOM 264 O VAL A 20 -1.100 -5.136 5.229 1.00 1.00 O ATOM 265 CB VAL A 20 -3.459 -6.375 3.267 1.00 1.00 C ATOM 266 CG1 VAL A 20 -4.953 -6.460 2.949 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.821 -5.278 2.404 1.00 1.00 C ATOM 0 H VAL A 20 -3.142 -3.940 4.755 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.827 -6.744 5.368 1.00 1.00 H new ATOM 0 HB VAL A 20 -2.982 -7.331 3.052 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -5.087 -6.700 1.894 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -5.411 -7.238 3.559 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -5.426 -5.503 3.167 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.955 -5.520 1.350 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -3.297 -4.322 2.620 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -1.756 -5.212 2.628 1.00 1.00 H new ATOM 277 N GLU A 21 -1.319 -7.379 5.279 1.00 1.00 N ATOM 278 CA GLU A 21 0.085 -7.616 5.606 1.00 1.00 C ATOM 279 C GLU A 21 0.842 -7.998 4.338 1.00 1.00 C ATOM 280 O GLU A 21 0.487 -8.964 3.660 1.00 1.00 O ATOM 281 CB GLU A 21 0.207 -8.743 6.637 1.00 1.00 C ATOM 282 CG GLU A 21 1.664 -8.862 7.094 1.00 1.00 C ATOM 283 CD GLU A 21 1.798 -9.984 8.120 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.778 -10.428 8.619 1.00 1.00 O ATOM 285 OE2 GLU A 21 2.920 -10.381 8.393 1.00 1.00 O ATOM 0 H GLU A 21 -1.881 -8.225 5.189 1.00 1.00 H new ATOM 0 HA GLU A 21 0.511 -6.706 6.028 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.438 -8.540 7.492 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -0.127 -9.685 6.203 1.00 1.00 H new ATOM 0 HG2 GLU A 21 2.307 -9.062 6.237 1.00 1.00 H new ATOM 0 HG3 GLU A 21 1.996 -7.919 7.528 1.00 1.00 H new ATOM 292 N GLY A 22 1.881 -7.231 4.017 1.00 1.00 N ATOM 293 CA GLY A 22 2.687 -7.488 2.825 1.00 1.00 C ATOM 294 C GLY A 22 4.151 -7.679 3.192 1.00 1.00 C ATOM 295 O GLY A 22 4.525 -7.605 4.359 1.00 1.00 O ATOM 0 H GLY A 22 2.185 -6.426 4.565 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.317 -8.377 2.315 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.588 -6.656 2.128 1.00 1.00 H new ATOM 299 N MET A 23 4.975 -7.936 2.182 1.00 1.00 N ATOM 300 CA MET A 23 6.404 -8.145 2.389 1.00 1.00 C ATOM 301 C MET A 23 7.201 -7.202 1.494 1.00 1.00 C ATOM 302 O MET A 23 7.382 -7.461 0.305 1.00 1.00 O ATOM 303 CB MET A 23 6.753 -9.600 2.069 1.00 1.00 C ATOM 304 CG MET A 23 5.909 -10.532 2.944 1.00 1.00 C ATOM 305 SD MET A 23 6.300 -10.262 4.692 1.00 1.00 S ATOM 306 CE MET A 23 8.010 -10.854 4.644 1.00 1.00 C ATOM 0 H MET A 23 4.677 -8.005 1.209 1.00 1.00 H new ATOM 0 HA MET A 23 6.657 -7.935 3.428 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.567 -9.806 1.015 1.00 1.00 H new ATOM 0 HB3 MET A 23 7.814 -9.778 2.247 1.00 1.00 H new ATOM 0 HG2 MET A 23 4.849 -10.349 2.767 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.102 -11.571 2.676 1.00 1.00 H new ATOM 0 HE1 MET A 23 8.194 -11.505 5.499 1.00 1.00 H new ATOM 0 HE2 MET A 23 8.177 -11.410 3.722 1.00 1.00 H new ATOM 0 HE3 MET A 23 8.691 -10.004 4.683 1.00 1.00 H new ATOM 316 N GLU A 24 7.669 -6.106 2.079 1.00 1.00 N ATOM 317 CA GLU A 24 8.443 -5.122 1.335 1.00 1.00 C ATOM 318 C GLU A 24 9.731 -5.753 0.814 1.00 1.00 C ATOM 319 O GLU A 24 10.442 -6.429 1.554 1.00 1.00 O ATOM 320 CB GLU A 24 8.780 -3.942 2.251 1.00 1.00 C ATOM 321 CG GLU A 24 9.575 -2.881 1.480 1.00 1.00 C ATOM 322 CD GLU A 24 9.852 -1.691 2.389 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.215 -1.603 3.425 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.701 -0.886 2.040 1.00 1.00 O ATOM 0 H GLU A 24 7.526 -5.877 3.063 1.00 1.00 H new ATOM 0 HA GLU A 24 7.855 -4.770 0.487 1.00 1.00 H new ATOM 0 HB2 GLU A 24 7.862 -3.504 2.644 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.359 -4.290 3.106 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.513 -3.304 1.122 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.015 -2.559 0.602 1.00 1.00 H new ATOM 331 N MET A 25 10.024 -5.528 -0.469 1.00 1.00 N ATOM 332 CA MET A 25 11.233 -6.080 -1.090 1.00 1.00 C ATOM 333 C MET A 25 12.119 -4.965 -1.634 1.00 1.00 C ATOM 334 O MET A 25 11.630 -3.997 -2.216 1.00 1.00 O ATOM 335 CB MET A 25 10.852 -7.009 -2.249 1.00 1.00 C ATOM 336 CG MET A 25 10.109 -8.234 -1.718 1.00 1.00 C ATOM 337 SD MET A 25 9.785 -9.375 -3.087 1.00 1.00 S ATOM 338 CE MET A 25 8.701 -8.290 -4.052 1.00 1.00 C ATOM 0 H MET A 25 9.445 -4.970 -1.096 1.00 1.00 H new ATOM 0 HA MET A 25 11.777 -6.636 -0.327 1.00 1.00 H new ATOM 0 HB2 MET A 25 10.225 -6.475 -2.962 1.00 1.00 H new ATOM 0 HB3 MET A 25 11.748 -7.322 -2.784 1.00 1.00 H new ATOM 0 HG2 MET A 25 10.702 -8.729 -0.949 1.00 1.00 H new ATOM 0 HG3 MET A 25 9.171 -7.931 -1.252 1.00 1.00 H new ATOM 0 HE1 MET A 25 8.032 -8.895 -4.664 1.00 1.00 H new ATOM 0 HE2 MET A 25 8.112 -7.669 -3.376 1.00 1.00 H new ATOM 0 HE3 MET A 25 9.305 -7.652 -4.697 1.00 1.00 H new ATOM 348 N LYS A 26 13.432 -5.115 -1.467 1.00 1.00 N ATOM 349 CA LYS A 26 14.382 -4.125 -1.978 1.00 1.00 C ATOM 350 C LYS A 26 15.615 -4.825 -2.526 1.00 1.00 C ATOM 351 O LYS A 26 16.002 -5.891 -2.045 1.00 1.00 O ATOM 352 CB LYS A 26 14.799 -3.146 -0.883 1.00 1.00 C ATOM 353 CG LYS A 26 13.596 -2.297 -0.472 1.00 1.00 C ATOM 354 CD LYS A 26 14.022 -1.269 0.585 1.00 1.00 C ATOM 355 CE LYS A 26 14.243 -1.956 1.939 1.00 1.00 C ATOM 356 NZ LYS A 26 14.290 -0.929 3.014 1.00 1.00 N ATOM 0 H LYS A 26 13.861 -5.906 -0.986 1.00 1.00 H new ATOM 0 HA LYS A 26 13.891 -3.566 -2.774 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.184 -3.691 -0.021 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.604 -2.505 -1.241 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.184 -1.787 -1.343 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.807 -2.936 -0.074 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.938 -0.771 0.269 1.00 1.00 H new ATOM 0 HD3 LYS A 26 13.257 -0.498 0.681 1.00 1.00 H new ATOM 0 HE2 LYS A 26 13.439 -2.666 2.134 1.00 1.00 H new ATOM 0 HE3 LYS A 26 15.173 -2.524 1.923 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 15.260 -0.856 3.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.996 -0.009 2.628 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 13.647 -1.203 3.784 1.00 1.00 H new ATOM 370 N GLY A 27 16.220 -4.219 -3.539 1.00 1.00 N ATOM 371 CA GLY A 27 17.411 -4.776 -4.174 1.00 1.00 C ATOM 372 C GLY A 27 18.318 -5.509 -3.179 1.00 1.00 C ATOM 373 O GLY A 27 18.511 -6.719 -3.290 1.00 1.00 O ATOM 0 H GLY A 27 15.905 -3.337 -3.942 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.110 -5.466 -4.962 1.00 1.00 H new ATOM 0 HA3 GLY A 27 17.974 -3.973 -4.651 1.00 1.00 H new ATOM 377 N PRO A 28 18.896 -4.802 -2.239 1.00 1.00 N ATOM 378 CA PRO A 28 19.830 -5.405 -1.231 1.00 1.00 C ATOM 379 C PRO A 28 19.189 -6.495 -0.353 1.00 1.00 C ATOM 380 O PRO A 28 19.870 -7.439 0.049 1.00 1.00 O ATOM 381 CB PRO A 28 20.294 -4.193 -0.396 1.00 1.00 C ATOM 382 CG PRO A 28 19.244 -3.149 -0.605 1.00 1.00 C ATOM 383 CD PRO A 28 18.733 -3.353 -2.028 1.00 1.00 C ATOM 0 HA PRO A 28 20.648 -5.936 -1.718 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.386 -4.453 0.658 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.272 -3.840 -0.724 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.437 -3.256 0.120 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.657 -2.148 -0.477 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.692 -3.046 -2.130 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.309 -2.774 -2.750 1.00 1.00 H new ATOM 391 N LEU A 29 17.896 -6.378 -0.067 1.00 1.00 N ATOM 392 CA LEU A 29 17.208 -7.382 0.755 1.00 1.00 C ATOM 393 C LEU A 29 15.744 -7.002 0.943 1.00 1.00 C ATOM 394 O LEU A 29 15.322 -5.940 0.497 1.00 1.00 O ATOM 395 CB LEU A 29 17.887 -7.536 2.133 1.00 1.00 C ATOM 396 CG LEU A 29 18.245 -6.166 2.743 1.00 1.00 C ATOM 397 CD1 LEU A 29 16.973 -5.353 3.016 1.00 1.00 C ATOM 398 CD2 LEU A 29 18.995 -6.391 4.066 1.00 1.00 C ATOM 0 H LEU A 29 17.305 -5.610 -0.385 1.00 1.00 H new ATOM 0 HA LEU A 29 17.268 -8.337 0.232 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.222 -8.074 2.809 1.00 1.00 H new ATOM 0 HB3 LEU A 29 18.791 -8.137 2.029 1.00 1.00 H new ATOM 0 HG LEU A 29 18.871 -5.615 2.041 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.243 -4.389 3.446 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.434 -5.195 2.082 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.337 -5.897 3.714 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.253 -5.428 4.506 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.359 -6.946 4.755 1.00 1.00 H new ATOM 0 HD23 LEU A 29 19.906 -6.959 3.876 1.00 1.00 H new ATOM 410 N ARG A 30 14.966 -7.865 1.610 1.00 1.00 N ATOM 411 CA ARG A 30 13.549 -7.587 1.856 1.00 1.00 C ATOM 412 C ARG A 30 13.282 -7.504 3.354 1.00 1.00 C ATOM 413 O ARG A 30 14.141 -7.837 4.170 1.00 1.00 O ATOM 414 CB ARG A 30 12.667 -8.669 1.225 1.00 1.00 C ATOM 415 CG ARG A 30 13.018 -10.043 1.794 1.00 1.00 C ATOM 416 CD ARG A 30 12.008 -11.063 1.273 1.00 1.00 C ATOM 417 NE ARG A 30 12.097 -11.176 -0.182 1.00 1.00 N ATOM 418 CZ ARG A 30 11.196 -11.866 -0.883 1.00 1.00 C ATOM 419 NH1 ARG A 30 10.273 -12.560 -0.272 1.00 1.00 N ATOM 420 NH2 ARG A 30 11.250 -11.865 -2.187 1.00 1.00 N ATOM 0 H ARG A 30 15.293 -8.755 1.986 1.00 1.00 H new ATOM 0 HA ARG A 30 13.303 -6.629 1.397 1.00 1.00 H new ATOM 0 HB2 ARG A 30 11.617 -8.447 1.415 1.00 1.00 H new ATOM 0 HB3 ARG A 30 12.802 -8.671 0.143 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.028 -10.327 1.499 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.000 -10.016 2.884 1.00 1.00 H new ATOM 0 HD2 ARG A 30 12.194 -12.034 1.731 1.00 1.00 H new ATOM 0 HD3 ARG A 30 11.000 -10.764 1.559 1.00 1.00 H new ATOM 0 HE ARG A 30 12.865 -10.717 -0.672 1.00 1.00 H new ATOM 0 HH11 ARG A 30 10.238 -12.576 0.747 1.00 1.00 H new ATOM 0 HH12 ARG A 30 9.587 -13.085 -0.814 1.00 1.00 H new ATOM 0 HH21 ARG A 30 11.980 -11.338 -2.667 1.00 1.00 H new ATOM 0 HH22 ARG A 30 10.563 -12.391 -2.726 1.00 1.00 H new ATOM 434 N GLU A 31 12.089 -7.039 3.706 1.00 1.00 N ATOM 435 CA GLU A 31 11.704 -6.891 5.106 1.00 1.00 C ATOM 436 C GLU A 31 10.180 -6.941 5.223 1.00 1.00 C ATOM 437 O GLU A 31 9.489 -6.407 4.358 1.00 1.00 O ATOM 438 CB GLU A 31 12.214 -5.542 5.638 1.00 1.00 C ATOM 439 CG GLU A 31 11.560 -4.400 4.849 1.00 1.00 C ATOM 440 CD GLU A 31 12.314 -3.095 5.093 1.00 1.00 C ATOM 441 OE1 GLU A 31 12.820 -2.921 6.190 1.00 1.00 O ATOM 442 OE2 GLU A 31 12.370 -2.286 4.182 1.00 1.00 O ATOM 0 H GLU A 31 11.370 -6.757 3.040 1.00 1.00 H new ATOM 0 HA GLU A 31 12.141 -7.701 5.690 1.00 1.00 H new ATOM 0 HB2 GLU A 31 11.981 -5.446 6.698 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.299 -5.489 5.544 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.560 -4.636 3.785 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.518 -4.289 5.150 1.00 1.00 H new ATOM 449 N PRO A 32 9.625 -7.556 6.247 1.00 1.00 N ATOM 450 CA PRO A 32 8.143 -7.616 6.396 1.00 1.00 C ATOM 451 C PRO A 32 7.542 -6.220 6.545 1.00 1.00 C ATOM 452 O PRO A 32 8.153 -5.331 7.136 1.00 1.00 O ATOM 453 CB PRO A 32 7.919 -8.479 7.651 1.00 1.00 C ATOM 454 CG PRO A 32 9.212 -8.419 8.409 1.00 1.00 C ATOM 455 CD PRO A 32 10.317 -8.234 7.364 1.00 1.00 C ATOM 0 HA PRO A 32 7.652 -8.040 5.520 1.00 1.00 H new ATOM 0 HB2 PRO A 32 7.094 -8.095 8.250 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.668 -9.505 7.383 1.00 1.00 H new ATOM 0 HG2 PRO A 32 9.207 -7.593 9.120 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.369 -9.332 8.983 1.00 1.00 H new ATOM 0 HD2 PRO A 32 11.139 -7.632 7.751 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.740 -9.189 7.054 1.00 1.00 H new ATOM 463 N CYS A 33 6.349 -6.032 5.989 1.00 1.00 N ATOM 464 CA CYS A 33 5.677 -4.738 6.049 1.00 1.00 C ATOM 465 C CYS A 33 4.166 -4.918 5.956 1.00 1.00 C ATOM 466 O CYS A 33 3.672 -6.037 5.845 1.00 1.00 O ATOM 467 CB CYS A 33 6.159 -3.852 4.896 1.00 1.00 C ATOM 468 SG CYS A 33 5.463 -4.468 3.344 1.00 1.00 S ATOM 0 H CYS A 33 5.829 -6.756 5.493 1.00 1.00 H new ATOM 0 HA CYS A 33 5.917 -4.263 7.000 1.00 1.00 H new ATOM 0 HB2 CYS A 33 5.852 -2.819 5.062 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.248 -3.857 4.848 1.00 1.00 H new ATOM 0 HG CYS A 33 5.439 -3.508 2.468 1.00 1.00 H new ATOM 474 N ALA A 34 3.433 -3.807 5.996 1.00 1.00 N ATOM 475 CA ALA A 34 1.971 -3.853 5.907 1.00 1.00 C ATOM 476 C ALA A 34 1.462 -2.727 5.019 1.00 1.00 C ATOM 477 O ALA A 34 1.818 -1.563 5.202 1.00 1.00 O ATOM 478 CB ALA A 34 1.346 -3.734 7.299 1.00 1.00 C ATOM 0 H ALA A 34 3.822 -2.869 6.089 1.00 1.00 H new ATOM 0 HA ALA A 34 1.684 -4.810 5.471 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.260 -3.770 7.214 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.689 -4.559 7.924 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.644 -2.788 7.752 1.00 1.00 H new ATOM 484 N LEU A 35 0.630 -3.092 4.050 1.00 1.00 N ATOM 485 CA LEU A 35 0.069 -2.124 3.113 1.00 1.00 C ATOM 486 C LEU A 35 -1.352 -1.770 3.521 1.00 1.00 C ATOM 487 O LEU A 35 -2.223 -2.639 3.586 1.00 1.00 O ATOM 488 CB LEU A 35 0.078 -2.721 1.699 1.00 1.00 C ATOM 489 CG LEU A 35 1.476 -2.590 1.068 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.796 -1.113 0.741 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.536 -3.150 2.030 1.00 1.00 C ATOM 0 H LEU A 35 0.328 -4.053 3.892 1.00 1.00 H new ATOM 0 HA LEU A 35 0.672 -1.216 3.125 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.213 -3.771 1.739 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.657 -2.210 1.077 1.00 1.00 H new ATOM 0 HG LEU A 35 1.489 -3.160 0.139 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.789 -1.046 0.296 1.00 1.00 H new ATOM 0 HD12 LEU A 35 1.057 -0.727 0.039 1.00 1.00 H new ATOM 0 HD13 LEU A 35 1.768 -0.523 1.657 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.524 -3.055 1.579 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.509 -2.592 2.966 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.328 -4.201 2.229 1.00 1.00 H new ATOM 503 N THR A 36 -1.582 -0.486 3.804 1.00 1.00 N ATOM 504 CA THR A 36 -2.910 -0.028 4.213 1.00 1.00 C ATOM 505 C THR A 36 -3.359 1.191 3.418 1.00 1.00 C ATOM 506 O THR A 36 -2.713 2.237 3.437 1.00 1.00 O ATOM 507 CB THR A 36 -2.899 0.309 5.708 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.616 -0.868 6.455 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.262 0.866 6.124 1.00 1.00 C ATOM 0 H THR A 36 -0.874 0.247 3.758 1.00 1.00 H new ATOM 0 HA THR A 36 -3.617 -0.834 4.015 1.00 1.00 H new ATOM 0 HB THR A 36 -2.132 1.059 5.904 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.607 -0.654 7.411 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.249 1.104 7.188 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.476 1.769 5.553 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.034 0.122 5.928 1.00 1.00 H new ATOM 517 N LEU A 37 -4.501 1.046 2.749 1.00 1.00 N ATOM 518 CA LEU A 37 -5.079 2.135 1.968 1.00 1.00 C ATOM 519 C LEU A 37 -6.017 2.939 2.857 1.00 1.00 C ATOM 520 O LEU A 37 -6.864 2.374 3.550 1.00 1.00 O ATOM 521 CB LEU A 37 -5.844 1.563 0.771 1.00 1.00 C ATOM 522 CG LEU A 37 -6.483 2.687 -0.060 1.00 1.00 C ATOM 523 CD1 LEU A 37 -5.403 3.658 -0.568 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.243 2.067 -1.248 1.00 1.00 C ATOM 0 H LEU A 37 -5.044 0.183 2.733 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.287 2.786 1.597 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.166 0.983 0.145 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.618 0.880 1.122 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.179 3.247 0.565 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -5.871 4.448 -1.155 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -4.880 4.098 0.282 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -4.691 3.117 -1.191 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -7.699 2.859 -1.842 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -6.548 1.502 -1.869 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.020 1.400 -0.875 1.00 1.00 H new ATOM 536 N ALA A 38 -5.846 4.258 2.857 1.00 1.00 N ATOM 537 CA ALA A 38 -6.672 5.129 3.694 1.00 1.00 C ATOM 538 C ALA A 38 -7.051 6.411 2.961 1.00 1.00 C ATOM 539 O ALA A 38 -6.297 6.912 2.130 1.00 1.00 O ATOM 540 CB ALA A 38 -5.903 5.479 4.966 1.00 1.00 C ATOM 0 H ALA A 38 -5.150 4.746 2.293 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.591 4.597 3.940 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.514 6.128 5.594 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.666 4.565 5.511 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -4.979 5.994 4.703 1.00 1.00 H new ATOM 546 N GLN A 39 -8.232 6.937 3.287 1.00 1.00 N ATOM 547 CA GLN A 39 -8.731 8.173 2.673 1.00 1.00 C ATOM 548 C GLN A 39 -8.704 9.313 3.693 1.00 1.00 C ATOM 549 O GLN A 39 -9.338 9.223 4.744 1.00 1.00 O ATOM 550 CB GLN A 39 -10.171 7.952 2.194 1.00 1.00 C ATOM 551 CG GLN A 39 -10.669 9.180 1.431 1.00 1.00 C ATOM 552 CD GLN A 39 -12.132 8.988 1.058 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.439 8.314 0.073 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.059 9.517 1.808 1.00 1.00 N ATOM 0 H GLN A 39 -8.864 6.527 3.974 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.095 8.437 1.828 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.217 7.073 1.552 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -10.820 7.758 3.048 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.553 10.074 2.044 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.070 9.330 0.533 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -12.800 10.074 2.622 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.043 9.374 1.580 1.00 1.00 H new ATOM 563 N ARG A 40 -7.975 10.391 3.385 1.00 1.00 N ATOM 564 CA ARG A 40 -7.892 11.537 4.302 1.00 1.00 C ATOM 565 C ARG A 40 -8.115 12.851 3.553 1.00 1.00 C ATOM 566 O ARG A 40 -7.588 13.056 2.458 1.00 1.00 O ATOM 567 CB ARG A 40 -6.525 11.550 5.005 1.00 1.00 C ATOM 568 CG ARG A 40 -6.500 12.662 6.060 1.00 1.00 C ATOM 569 CD ARG A 40 -5.239 12.528 6.929 1.00 1.00 C ATOM 570 NE ARG A 40 -4.038 12.735 6.129 1.00 1.00 N ATOM 571 CZ ARG A 40 -2.823 12.511 6.628 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.682 12.042 7.842 1.00 1.00 N ATOM 573 NH2 ARG A 40 -1.766 12.747 5.899 1.00 1.00 N ATOM 0 H ARG A 40 -7.441 10.496 2.522 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.677 11.436 5.052 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.337 10.585 5.475 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.731 11.709 4.275 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.516 13.637 5.574 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.391 12.603 6.685 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.271 13.255 7.740 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.211 11.540 7.388 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.130 13.058 5.166 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.505 11.846 8.412 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.749 11.873 8.218 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -1.871 13.102 4.949 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -0.835 12.576 6.280 1.00 1.00 H new ATOM 587 N ASN A 41 -8.907 13.730 4.161 1.00 1.00 N ATOM 588 CA ASN A 41 -9.224 15.034 3.574 1.00 1.00 C ATOM 589 C ASN A 41 -9.915 14.896 2.217 1.00 1.00 C ATOM 590 O ASN A 41 -9.735 15.735 1.336 1.00 1.00 O ATOM 591 CB ASN A 41 -7.952 15.871 3.422 1.00 1.00 C ATOM 592 CG ASN A 41 -7.240 15.985 4.765 1.00 1.00 C ATOM 593 OD1 ASN A 41 -7.934 15.916 5.868 1.00 1.00 O flip ATOM 594 ND2 ASN A 41 -6.020 16.138 4.810 1.00 1.00 N flip ATOM 0 H ASN A 41 -9.345 13.563 5.067 1.00 1.00 H new ATOM 0 HA ASN A 41 -9.914 15.536 4.253 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.290 15.412 2.688 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.202 16.864 3.048 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -5.481 16.192 3.946 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -5.548 16.211 5.711 1.00 1.00 H new ATOM 601 N GLY A 42 -10.722 13.847 2.061 1.00 1.00 N ATOM 602 CA GLY A 42 -11.446 13.637 0.807 1.00 1.00 C ATOM 603 C GLY A 42 -10.494 13.230 -0.307 1.00 1.00 C ATOM 604 O GLY A 42 -10.795 13.388 -1.489 1.00 1.00 O ATOM 0 H GLY A 42 -10.890 13.139 2.775 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.203 12.865 0.944 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -11.970 14.551 0.527 1.00 1.00 H new ATOM 608 N GLN A 43 -9.338 12.715 0.090 1.00 1.00 N ATOM 609 CA GLN A 43 -8.314 12.289 -0.852 1.00 1.00 C ATOM 610 C GLN A 43 -7.839 10.881 -0.507 1.00 1.00 C ATOM 611 O GLN A 43 -7.923 10.455 0.639 1.00 1.00 O ATOM 612 CB GLN A 43 -7.141 13.276 -0.782 1.00 1.00 C ATOM 613 CG GLN A 43 -5.945 12.738 -1.560 1.00 1.00 C ATOM 614 CD GLN A 43 -4.873 13.815 -1.670 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.147 14.992 -1.433 1.00 1.00 O ATOM 616 NE2 GLN A 43 -3.661 13.480 -2.015 1.00 1.00 N ATOM 0 H GLN A 43 -9.085 12.582 1.069 1.00 1.00 H new ATOM 0 HA GLN A 43 -8.723 12.275 -1.862 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.444 14.240 -1.190 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -6.861 13.444 0.258 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.540 11.859 -1.059 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.259 12.422 -2.555 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.438 12.504 -2.211 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -2.936 14.194 -2.089 1.00 1.00 H new ATOM 625 N TYR A 44 -7.336 10.165 -1.509 1.00 1.00 N ATOM 626 CA TYR A 44 -6.841 8.805 -1.297 1.00 1.00 C ATOM 627 C TYR A 44 -5.348 8.839 -1.001 1.00 1.00 C ATOM 628 O TYR A 44 -4.589 9.536 -1.674 1.00 1.00 O ATOM 629 CB TYR A 44 -7.094 7.945 -2.538 1.00 1.00 C ATOM 630 CG TYR A 44 -8.576 7.703 -2.696 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.193 6.651 -2.005 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.332 8.526 -3.539 1.00 1.00 C ATOM 633 CE1 TYR A 44 -10.566 6.428 -2.153 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.706 8.302 -3.687 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.322 7.253 -2.997 1.00 1.00 C ATOM 636 OH TYR A 44 -12.679 7.031 -3.144 1.00 1.00 O ATOM 0 H TYR A 44 -7.260 10.499 -2.470 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.372 8.371 -0.450 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -6.701 8.443 -3.424 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.568 6.995 -2.447 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -8.609 6.013 -1.359 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -8.855 9.333 -4.075 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.043 5.621 -1.617 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.290 8.939 -4.334 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.053 7.692 -3.763 1.00 1.00 H new ATOM 646 N GLU A 45 -4.924 8.080 0.007 1.00 1.00 N ATOM 647 CA GLU A 45 -3.510 8.026 0.378 1.00 1.00 C ATOM 648 C GLU A 45 -3.133 6.615 0.828 1.00 1.00 C ATOM 649 O GLU A 45 -3.930 5.918 1.455 1.00 1.00 O ATOM 650 CB GLU A 45 -3.212 9.048 1.483 1.00 1.00 C ATOM 651 CG GLU A 45 -4.037 8.742 2.737 1.00 1.00 C ATOM 652 CD GLU A 45 -3.622 9.682 3.864 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.639 10.386 3.688 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.280 9.676 4.891 1.00 1.00 O ATOM 0 H GLU A 45 -5.534 7.497 0.579 1.00 1.00 H new ATOM 0 HA GLU A 45 -2.907 8.279 -0.494 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.150 9.029 1.726 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.440 10.053 1.127 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.099 8.860 2.524 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.886 7.706 3.040 1.00 1.00 H new ATOM 661 N LEU A 46 -1.912 6.200 0.490 1.00 1.00 N ATOM 662 CA LEU A 46 -1.420 4.864 0.844 1.00 1.00 C ATOM 663 C LEU A 46 -0.442 4.949 2.012 1.00 1.00 C ATOM 664 O LEU A 46 0.552 5.672 1.948 1.00 1.00 O ATOM 665 CB LEU A 46 -0.709 4.246 -0.372 1.00 1.00 C ATOM 666 CG LEU A 46 -0.153 2.852 -0.035 1.00 1.00 C ATOM 667 CD1 LEU A 46 -1.284 1.926 0.442 1.00 1.00 C ATOM 668 CD2 LEU A 46 0.500 2.258 -1.288 1.00 1.00 C ATOM 0 H LEU A 46 -1.243 6.769 -0.029 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.266 4.242 1.137 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.406 4.171 -1.206 1.00 1.00 H new ATOM 0 HB3 LEU A 46 0.104 4.898 -0.693 1.00 1.00 H new ATOM 0 HG LEU A 46 0.584 2.944 0.763 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -0.875 0.943 0.677 1.00 1.00 H new ATOM 0 HD12 LEU A 46 -1.748 2.348 1.333 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -2.032 1.829 -0.345 1.00 1.00 H new ATOM 0 HD21 LEU A 46 0.897 1.269 -1.058 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -0.243 2.175 -2.081 1.00 1.00 H new ATOM 0 HD23 LEU A 46 1.311 2.907 -1.618 1.00 1.00 H new ATOM 680 N ILE A 47 -0.725 4.199 3.077 1.00 1.00 N ATOM 681 CA ILE A 47 0.146 4.188 4.253 1.00 1.00 C ATOM 682 C ILE A 47 0.992 2.923 4.253 1.00 1.00 C ATOM 683 O ILE A 47 0.461 1.814 4.324 1.00 1.00 O ATOM 684 CB ILE A 47 -0.686 4.229 5.540 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.588 5.466 5.537 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.253 4.300 6.747 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.593 5.370 6.688 1.00 1.00 C ATOM 0 H ILE A 47 -1.544 3.595 3.150 1.00 1.00 H new ATOM 0 HA ILE A 47 0.788 5.068 4.213 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.301 3.331 5.598 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.985 6.368 5.641 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -2.115 5.542 4.586 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.335 4.329 7.664 1.00 1.00 H new ATOM 0 HG22 ILE A 47 0.899 3.422 6.758 1.00 1.00 H new ATOM 0 HG23 ILE A 47 0.865 5.199 6.679 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -3.235 6.251 6.685 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -3.204 4.476 6.564 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -2.057 5.315 7.635 1.00 1.00 H new ATOM 699 N ILE A 48 2.309 3.088 4.184 1.00 1.00 N ATOM 700 CA ILE A 48 3.219 1.942 4.189 1.00 1.00 C ATOM 701 C ILE A 48 3.864 1.806 5.563 1.00 1.00 C ATOM 702 O ILE A 48 4.530 2.727 6.038 1.00 1.00 O ATOM 703 CB ILE A 48 4.311 2.137 3.139 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.667 2.374 1.768 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.183 0.883 3.081 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.732 2.823 0.764 1.00 1.00 C ATOM 0 H ILE A 48 2.770 3.996 4.124 1.00 1.00 H new ATOM 0 HA ILE A 48 2.652 1.040 3.958 1.00 1.00 H new ATOM 0 HB ILE A 48 4.924 2.998 3.405 1.00 1.00 H new ATOM 0 HG12 ILE A 48 3.188 1.460 1.419 1.00 1.00 H new ATOM 0 HG13 ILE A 48 2.888 3.132 1.848 1.00 1.00 H new ATOM 0 HG21 ILE A 48 5.964 1.017 2.333 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.640 0.712 4.056 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.568 0.024 2.813 1.00 1.00 H new ATOM 0 HD11 ILE A 48 4.268 2.990 -0.208 1.00 1.00 H new ATOM 0 HD12 ILE A 48 5.191 3.749 1.110 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.496 2.051 0.674 1.00 1.00 H new ATOM 718 N GLN A 49 3.655 0.655 6.202 1.00 1.00 N ATOM 719 CA GLN A 49 4.213 0.401 7.532 1.00 1.00 C ATOM 720 C GLN A 49 5.227 -0.732 7.484 1.00 1.00 C ATOM 721 O GLN A 49 4.945 -1.806 6.966 1.00 1.00 O ATOM 722 CB GLN A 49 3.096 0.032 8.507 1.00 1.00 C ATOM 723 CG GLN A 49 2.216 1.252 8.751 1.00 1.00 C ATOM 724 CD GLN A 49 1.147 0.922 9.779 1.00 1.00 C ATOM 725 OE1 GLN A 49 0.224 0.159 9.498 1.00 1.00 O ATOM 726 NE2 GLN A 49 1.237 1.435 10.972 1.00 1.00 N ATOM 0 H GLN A 49 3.105 -0.115 5.822 1.00 1.00 H new ATOM 0 HA GLN A 49 4.711 1.310 7.869 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.500 -0.786 8.102 1.00 1.00 H new ATOM 0 HB3 GLN A 49 3.520 -0.319 9.448 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.824 2.086 9.101 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.750 1.568 7.818 1.00 1.00 H new ATOM 0 HE21 GLN A 49 2.005 2.067 11.199 1.00 1.00 H new ATOM 0 HE22 GLN A 49 0.540 1.205 11.680 1.00 1.00 H new ATOM 735 N LEU A 50 6.405 -0.488 8.047 1.00 1.00 N ATOM 736 CA LEU A 50 7.460 -1.505 8.083 1.00 1.00 C ATOM 737 C LEU A 50 7.502 -2.149 9.466 1.00 1.00 C ATOM 738 O LEU A 50 7.587 -1.460 10.482 1.00 1.00 O ATOM 739 CB LEU A 50 8.821 -0.862 7.766 1.00 1.00 C ATOM 740 CG LEU A 50 9.017 -0.747 6.250 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.804 -0.058 5.617 1.00 1.00 C ATOM 742 CD2 LEU A 50 10.278 0.079 5.969 1.00 1.00 C ATOM 0 H LEU A 50 6.657 0.399 8.484 1.00 1.00 H new ATOM 0 HA LEU A 50 7.247 -2.269 7.335 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.879 0.126 8.223 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.623 -1.460 8.199 1.00 1.00 H new ATOM 0 HG LEU A 50 9.123 -1.744 5.822 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.951 0.020 4.540 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.907 -0.643 5.819 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.690 0.940 6.041 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.424 0.165 4.892 1.00 1.00 H new ATOM 0 HD22 LEU A 50 10.165 1.074 6.401 1.00 1.00 H new ATOM 0 HD23 LEU A 50 11.142 -0.414 6.414 1.00 1.00 H new ATOM 754 N HIS A 51 7.442 -3.477 9.498 1.00 1.00 N ATOM 755 CA HIS A 51 7.473 -4.202 10.763 1.00 1.00 C ATOM 756 C HIS A 51 8.896 -4.245 11.314 1.00 1.00 C ATOM 757 O HIS A 51 9.483 -5.317 11.467 1.00 1.00 O ATOM 758 CB HIS A 51 6.953 -5.627 10.559 1.00 1.00 C ATOM 759 CG HIS A 51 5.502 -5.585 10.162 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.519 -5.086 11.002 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.852 -5.986 9.021 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.342 -5.196 10.359 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.489 -5.739 9.148 1.00 1.00 N ATOM 0 H HIS A 51 7.372 -4.068 8.670 1.00 1.00 H new ATOM 0 HA HIS A 51 6.834 -3.685 11.479 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.537 -6.131 9.788 1.00 1.00 H new ATOM 0 HB3 HIS A 51 7.072 -6.203 11.477 1.00 1.00 H new ATOM 0 HD2 HIS A 51 5.327 -6.426 8.157 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.394 -4.883 10.772 1.00 1.00 H new ATOM 0 HE2 HIS A 51 2.758 -5.931 8.463 1.00 1.00 H new ATOM 771 N GLU A 52 9.443 -3.069 11.606 1.00 1.00 N ATOM 772 CA GLU A 52 10.800 -2.975 12.136 1.00 1.00 C ATOM 773 C GLU A 52 10.868 -3.598 13.527 1.00 1.00 C ATOM 774 O GLU A 52 9.864 -3.659 14.234 1.00 1.00 O ATOM 775 CB GLU A 52 11.224 -1.505 12.213 1.00 1.00 C ATOM 776 CG GLU A 52 11.235 -0.893 10.810 1.00 1.00 C ATOM 777 CD GLU A 52 12.287 -1.578 9.945 1.00 1.00 C ATOM 778 OE1 GLU A 52 13.180 -2.192 10.506 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.187 -1.476 8.733 1.00 1.00 O ATOM 0 H GLU A 52 8.971 -2.173 11.486 1.00 1.00 H new ATOM 0 HA GLU A 52 11.475 -3.515 11.472 1.00 1.00 H new ATOM 0 HB2 GLU A 52 10.538 -0.953 12.855 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.214 -1.426 12.662 1.00 1.00 H new ATOM 0 HG2 GLU A 52 10.252 -0.999 10.352 1.00 1.00 H new ATOM 0 HG3 GLU A 52 11.444 0.175 10.873 1.00 1.00 H new ATOM 786 N LYS A 53 12.050 -4.062 13.915 1.00 1.00 N ATOM 787 CA LYS A 53 12.212 -4.683 15.225 1.00 1.00 C ATOM 788 C LYS A 53 11.908 -3.672 16.329 1.00 1.00 C ATOM 789 O LYS A 53 11.265 -4.006 17.324 1.00 1.00 O ATOM 790 CB LYS A 53 13.641 -5.215 15.389 1.00 1.00 C ATOM 791 CG LYS A 53 13.965 -6.237 14.284 1.00 1.00 C ATOM 792 CD LYS A 53 13.105 -7.496 14.447 1.00 1.00 C ATOM 793 CE LYS A 53 13.720 -8.652 13.650 1.00 1.00 C ATOM 794 NZ LYS A 53 13.695 -8.320 12.197 1.00 1.00 N ATOM 0 H LYS A 53 12.899 -4.022 13.351 1.00 1.00 H new ATOM 0 HA LYS A 53 11.513 -5.516 15.302 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.350 -4.388 15.348 1.00 1.00 H new ATOM 0 HB3 LYS A 53 13.752 -5.681 16.368 1.00 1.00 H new ATOM 0 HG2 LYS A 53 13.786 -5.792 13.305 1.00 1.00 H new ATOM 0 HG3 LYS A 53 15.021 -6.503 14.325 1.00 1.00 H new ATOM 0 HD2 LYS A 53 13.035 -7.766 15.501 1.00 1.00 H new ATOM 0 HD3 LYS A 53 12.090 -7.302 14.099 1.00 1.00 H new ATOM 0 HE2 LYS A 53 14.745 -8.829 13.976 1.00 1.00 H new ATOM 0 HE3 LYS A 53 13.164 -9.571 13.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 13.919 -9.171 11.643 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 12.749 -7.975 11.936 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 14.400 -7.582 11.997 1.00 1.00 H new ATOM 808 N GLU A 54 12.365 -2.436 16.146 1.00 1.00 N ATOM 809 CA GLU A 54 12.126 -1.391 17.140 1.00 1.00 C ATOM 810 C GLU A 54 10.647 -1.010 17.170 1.00 1.00 C ATOM 811 O GLU A 54 9.890 -1.483 18.017 1.00 1.00 O ATOM 812 CB GLU A 54 12.956 -0.146 16.818 1.00 1.00 C ATOM 813 CG GLU A 54 14.440 -0.479 16.945 1.00 1.00 C ATOM 814 CD GLU A 54 15.284 0.743 16.598 1.00 1.00 C ATOM 815 OE1 GLU A 54 14.705 1.773 16.297 1.00 1.00 O ATOM 816 OE2 GLU A 54 16.498 0.631 16.641 1.00 1.00 O ATOM 0 H GLU A 54 12.897 -2.135 15.329 1.00 1.00 H new ATOM 0 HA GLU A 54 12.420 -1.781 18.115 1.00 1.00 H new ATOM 0 HB2 GLU A 54 12.735 0.201 15.809 1.00 1.00 H new ATOM 0 HB3 GLU A 54 12.694 0.665 17.498 1.00 1.00 H new ATOM 0 HG2 GLU A 54 14.661 -0.807 17.961 1.00 1.00 H new ATOM 0 HG3 GLU A 54 14.693 -1.306 16.281 1.00 1.00 H new ATOM 823 N GLN A 55 10.247 -0.147 16.238 1.00 1.00 N ATOM 824 CA GLN A 55 8.849 0.302 16.155 1.00 1.00 C ATOM 825 C GLN A 55 8.411 0.451 14.701 1.00 1.00 C ATOM 826 O GLN A 55 9.226 0.720 13.821 1.00 1.00 O ATOM 827 CB GLN A 55 8.692 1.648 16.874 1.00 1.00 C ATOM 828 CG GLN A 55 7.240 2.125 16.777 1.00 1.00 C ATOM 829 CD GLN A 55 7.042 3.371 17.634 1.00 1.00 C ATOM 830 OE1 GLN A 55 7.847 3.650 18.522 1.00 1.00 O ATOM 831 NE2 GLN A 55 6.015 4.146 17.413 1.00 1.00 N ATOM 0 H GLN A 55 10.863 0.256 15.532 1.00 1.00 H new ATOM 0 HA GLN A 55 8.220 -0.448 16.634 1.00 1.00 H new ATOM 0 HB2 GLN A 55 8.982 1.547 17.920 1.00 1.00 H new ATOM 0 HB3 GLN A 55 9.357 2.388 16.429 1.00 1.00 H new ATOM 0 HG2 GLN A 55 6.989 2.344 15.739 1.00 1.00 H new ATOM 0 HG3 GLN A 55 6.566 1.335 17.108 1.00 1.00 H new ATOM 0 HE21 GLN A 55 5.349 3.913 16.676 1.00 1.00 H new ATOM 0 HE22 GLN A 55 5.878 4.985 17.977 1.00 1.00 H new ATOM 840 N HIS A 56 7.113 0.282 14.462 1.00 1.00 N ATOM 841 CA HIS A 56 6.572 0.407 13.114 1.00 1.00 C ATOM 842 C HIS A 56 6.601 1.867 12.671 1.00 1.00 C ATOM 843 O HIS A 56 6.034 2.737 13.332 1.00 1.00 O ATOM 844 CB HIS A 56 5.131 -0.107 13.079 1.00 1.00 C ATOM 845 CG HIS A 56 5.105 -1.569 13.436 1.00 1.00 C ATOM 846 ND1 HIS A 56 6.109 -2.474 13.665 1.00 1.00 N flip ATOM 847 CD2 HIS A 56 3.920 -2.265 13.606 1.00 1.00 C flip ATOM 848 CE1 HIS A 56 5.559 -3.715 13.973 1.00 1.00 C flip ATOM 849 NE2 HIS A 56 4.237 -3.534 13.923 1.00 1.00 N flip ATOM 0 H HIS A 56 6.422 0.060 15.179 1.00 1.00 H new ATOM 0 HA HIS A 56 7.184 -0.187 12.435 1.00 1.00 H new ATOM 0 HB2 HIS A 56 4.516 0.459 13.778 1.00 1.00 H new ATOM 0 HB3 HIS A 56 4.705 0.043 12.087 1.00 1.00 H new ATOM 0 HD2 HIS A 56 2.923 -1.863 13.503 1.00 1.00 H new ATOM 0 HE1 HIS A 56 6.088 -4.628 14.203 1.00 1.00 H new ATOM 0 HE2 HIS A 56 3.551 -4.268 14.103 1.00 1.00 H new ATOM 857 N VAL A 57 7.266 2.132 11.547 1.00 1.00 N ATOM 858 CA VAL A 57 7.363 3.497 11.029 1.00 1.00 C ATOM 859 C VAL A 57 6.207 3.791 10.082 1.00 1.00 C ATOM 860 O VAL A 57 5.881 2.988 9.207 1.00 1.00 O ATOM 861 CB VAL A 57 8.685 3.687 10.290 1.00 1.00 C ATOM 862 CG1 VAL A 57 8.901 5.174 9.994 1.00 1.00 C ATOM 863 CG2 VAL A 57 9.837 3.163 11.155 1.00 1.00 C ATOM 0 H VAL A 57 7.741 1.428 10.982 1.00 1.00 H new ATOM 0 HA VAL A 57 7.317 4.187 11.872 1.00 1.00 H new ATOM 0 HB VAL A 57 8.656 3.133 9.352 1.00 1.00 H new ATOM 0 HG11 VAL A 57 9.846 5.307 9.466 1.00 1.00 H new ATOM 0 HG12 VAL A 57 8.084 5.544 9.374 1.00 1.00 H new ATOM 0 HG13 VAL A 57 8.927 5.731 10.930 1.00 1.00 H new ATOM 0 HG21 VAL A 57 10.780 3.299 10.626 1.00 1.00 H new ATOM 0 HG22 VAL A 57 9.865 3.713 12.095 1.00 1.00 H new ATOM 0 HG23 VAL A 57 9.686 2.103 11.359 1.00 1.00 H new ATOM 873 N GLN A 58 5.595 4.954 10.269 1.00 1.00 N ATOM 874 CA GLN A 58 4.469 5.377 9.436 1.00 1.00 C ATOM 875 C GLN A 58 4.944 6.264 8.291 1.00 1.00 C ATOM 876 O GLN A 58 5.577 7.295 8.509 1.00 1.00 O ATOM 877 CB GLN A 58 3.450 6.150 10.282 1.00 1.00 C ATOM 878 CG GLN A 58 2.664 5.176 11.159 1.00 1.00 C ATOM 879 CD GLN A 58 1.661 5.947 12.012 1.00 1.00 C ATOM 880 OE1 GLN A 58 0.379 5.751 11.835 1.00 1.00 O flip ATOM 881 NE2 GLN A 58 2.049 6.749 12.859 1.00 1.00 N flip ATOM 0 H GLN A 58 5.858 5.625 10.991 1.00 1.00 H new ATOM 0 HA GLN A 58 4.002 4.484 9.021 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.962 6.883 10.905 1.00 1.00 H new ATOM 0 HB3 GLN A 58 2.769 6.702 9.634 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.143 4.449 10.536 1.00 1.00 H new ATOM 0 HG3 GLN A 58 3.346 4.616 11.799 1.00 1.00 H new ATOM 0 HE21 GLN A 58 3.048 6.902 12.997 1.00 1.00 H new ATOM 0 HE22 GLN A 58 1.372 7.262 13.424 1.00 1.00 H new ATOM 890 N ASP A 59 4.616 5.856 7.067 1.00 1.00 N ATOM 891 CA ASP A 59 4.986 6.616 5.868 1.00 1.00 C ATOM 892 C ASP A 59 3.724 7.013 5.109 1.00 1.00 C ATOM 893 O ASP A 59 2.974 6.153 4.648 1.00 1.00 O ATOM 894 CB ASP A 59 5.886 5.771 4.968 1.00 1.00 C ATOM 895 CG ASP A 59 6.298 6.573 3.737 1.00 1.00 C ATOM 896 OD1 ASP A 59 5.804 7.677 3.581 1.00 1.00 O ATOM 897 OD2 ASP A 59 7.099 6.069 2.966 1.00 1.00 O ATOM 0 H ASP A 59 4.093 5.001 6.876 1.00 1.00 H new ATOM 0 HA ASP A 59 5.529 7.513 6.166 1.00 1.00 H new ATOM 0 HB2 ASP A 59 6.772 5.456 5.519 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.361 4.866 4.663 1.00 1.00 H new ATOM 902 N ILE A 60 3.486 8.316 4.995 1.00 1.00 N ATOM 903 CA ILE A 60 2.292 8.806 4.301 1.00 1.00 C ATOM 904 C ILE A 60 2.606 9.109 2.842 1.00 1.00 C ATOM 905 O ILE A 60 3.319 10.067 2.533 1.00 1.00 O ATOM 906 CB ILE A 60 1.785 10.077 4.992 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.573 9.800 6.488 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.466 10.530 4.356 1.00 1.00 C ATOM 909 CD1 ILE A 60 0.625 8.607 6.693 1.00 1.00 C ATOM 0 H ILE A 60 4.093 9.046 5.368 1.00 1.00 H new ATOM 0 HA ILE A 60 1.524 8.034 4.339 1.00 1.00 H new ATOM 0 HB ILE A 60 2.525 10.868 4.872 1.00 1.00 H new ATOM 0 HG12 ILE A 60 2.532 9.594 6.964 1.00 1.00 H new ATOM 0 HG13 ILE A 60 1.160 10.685 6.972 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.114 11.434 4.854 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.625 10.737 3.298 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -0.279 9.742 4.464 1.00 1.00 H new ATOM 0 HD11 ILE A 60 0.489 8.429 7.760 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -0.340 8.826 6.236 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.053 7.718 6.228 1.00 1.00 H new ATOM 921 N ILE A 61 2.062 8.285 1.943 1.00 1.00 N ATOM 922 CA ILE A 61 2.278 8.460 0.507 1.00 1.00 C ATOM 923 C ILE A 61 0.951 8.800 -0.191 1.00 1.00 C ATOM 924 O ILE A 61 0.013 8.006 -0.135 1.00 1.00 O ATOM 925 CB ILE A 61 2.845 7.169 -0.087 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.073 6.723 0.723 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.246 7.408 -1.544 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.107 7.856 0.815 1.00 1.00 C ATOM 0 H ILE A 61 1.469 7.491 2.185 1.00 1.00 H new ATOM 0 HA ILE A 61 2.983 9.277 0.353 1.00 1.00 H new ATOM 0 HB ILE A 61 2.086 6.388 -0.046 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.764 6.424 1.725 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.525 5.849 0.255 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.650 6.488 -1.966 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.371 7.716 -2.116 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.003 8.191 -1.589 1.00 1.00 H new ATOM 0 HD11 ILE A 61 5.967 7.518 1.393 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.430 8.136 -0.188 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.658 8.720 1.305 1.00 1.00 H new ATOM 940 N PRO A 62 0.828 9.946 -0.831 1.00 1.00 N ATOM 941 CA PRO A 62 -0.442 10.334 -1.512 1.00 1.00 C ATOM 942 C PRO A 62 -0.674 9.562 -2.809 1.00 1.00 C ATOM 943 O PRO A 62 0.273 9.158 -3.486 1.00 1.00 O ATOM 944 CB PRO A 62 -0.267 11.837 -1.766 1.00 1.00 C ATOM 945 CG PRO A 62 1.211 12.035 -1.895 1.00 1.00 C ATOM 946 CD PRO A 62 1.866 10.987 -0.992 1.00 1.00 C ATOM 0 HA PRO A 62 -1.320 10.103 -0.909 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.788 12.148 -2.671 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.675 12.427 -0.945 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.531 11.911 -2.930 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.496 13.042 -1.592 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.770 10.581 -1.445 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.154 11.414 -0.031 1.00 1.00 H new ATOM 954 N ILE A 63 -1.949 9.372 -3.149 1.00 1.00 N ATOM 955 CA ILE A 63 -2.329 8.659 -4.368 1.00 1.00 C ATOM 956 C ILE A 63 -2.803 9.645 -5.433 1.00 1.00 C ATOM 957 O ILE A 63 -3.784 10.364 -5.244 1.00 1.00 O ATOM 958 CB ILE A 63 -3.435 7.653 -4.046 1.00 1.00 C ATOM 959 CG1 ILE A 63 -2.861 6.556 -3.143 1.00 1.00 C ATOM 960 CG2 ILE A 63 -3.969 7.026 -5.334 1.00 1.00 C ATOM 961 CD1 ILE A 63 -3.998 5.717 -2.555 1.00 1.00 C ATOM 0 H ILE A 63 -2.739 9.703 -2.595 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.461 8.126 -4.757 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.253 8.165 -3.539 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.185 5.919 -3.714 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.275 7.003 -2.340 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.756 6.312 -5.092 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.373 7.807 -5.978 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.159 6.512 -5.852 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -3.582 4.939 -1.914 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.657 6.357 -1.968 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.566 5.256 -3.363 1.00 1.00 H new ATOM 973 N ASN A 64 -2.086 9.670 -6.549 1.00 1.00 N ATOM 974 CA ASN A 64 -2.419 10.570 -7.649 1.00 1.00 C ATOM 975 C ASN A 64 -1.557 10.255 -8.868 1.00 1.00 C ATOM 976 O ASN A 64 -1.106 9.124 -9.040 1.00 1.00 O ATOM 977 CB ASN A 64 -2.199 12.026 -7.227 1.00 1.00 C ATOM 978 CG ASN A 64 -0.721 12.264 -6.933 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.113 11.395 -7.191 1.00 1.00 O ATOM 980 ND2 ASN A 64 -0.344 13.398 -6.411 1.00 1.00 N ATOM 0 H ASN A 64 -1.272 9.079 -6.718 1.00 1.00 H new ATOM 0 HA ASN A 64 -3.468 10.427 -7.907 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -2.534 12.697 -8.018 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.795 12.252 -6.343 1.00 1.00 H new ATOM 0 HD21 ASN A 64 0.643 13.567 -6.216 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -1.036 14.116 -6.198 1.00 1.00 H new ATOM 987 N SER A 65 -1.336 11.256 -9.715 1.00 1.00 N ATOM 988 CA SER A 65 -0.531 11.064 -10.915 1.00 1.00 C ATOM 989 C SER A 65 0.918 10.717 -10.560 1.00 1.00 C ATOM 990 O SER A 65 1.536 9.873 -11.210 1.00 1.00 O ATOM 991 CB SER A 65 -0.553 12.337 -11.761 1.00 1.00 C ATOM 992 OG SER A 65 -0.043 13.417 -10.992 1.00 1.00 O ATOM 0 H SER A 65 -1.700 12.201 -9.594 1.00 1.00 H new ATOM 0 HA SER A 65 -0.958 10.234 -11.479 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.047 12.200 -12.661 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.570 12.555 -12.086 1.00 1.00 H new ATOM 0 HG SER A 65 -0.053 14.236 -11.531 1.00 1.00 H new ATOM 998 N HIS A 66 1.458 11.377 -9.538 1.00 1.00 N ATOM 999 CA HIS A 66 2.841 11.127 -9.126 1.00 1.00 C ATOM 1000 C HIS A 66 3.002 9.712 -8.561 1.00 1.00 C ATOM 1001 O HIS A 66 3.988 9.031 -8.843 1.00 1.00 O ATOM 1002 CB HIS A 66 3.278 12.162 -8.082 1.00 1.00 C ATOM 1003 CG HIS A 66 3.339 13.530 -8.717 1.00 1.00 C ATOM 1004 ND1 HIS A 66 4.426 13.951 -9.470 1.00 1.00 N ATOM 1005 CD2 HIS A 66 2.459 14.586 -8.711 1.00 1.00 C ATOM 1006 CE1 HIS A 66 4.174 15.208 -9.881 1.00 1.00 C ATOM 1007 NE2 HIS A 66 2.989 15.643 -9.446 1.00 1.00 N ATOM 0 H HIS A 66 0.968 12.080 -8.985 1.00 1.00 H new ATOM 0 HA HIS A 66 3.477 11.216 -10.007 1.00 1.00 H new ATOM 0 HB2 HIS A 66 2.577 12.169 -7.247 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.254 11.895 -7.677 1.00 1.00 H new ATOM 0 HD2 HIS A 66 1.501 14.594 -8.212 1.00 1.00 H new ATOM 0 HE1 HIS A 66 4.848 15.793 -10.489 1.00 1.00 H new ATOM 0 HE2 HIS A 66 2.563 16.554 -9.616 1.00 1.00 H new ATOM 1015 N PHE A 67 2.026 9.275 -7.766 1.00 1.00 N ATOM 1016 CA PHE A 67 2.054 7.943 -7.165 1.00 1.00 C ATOM 1017 C PHE A 67 1.239 6.964 -8.013 1.00 1.00 C ATOM 1018 O PHE A 67 0.091 7.233 -8.354 1.00 1.00 O ATOM 1019 CB PHE A 67 1.468 8.007 -5.744 1.00 1.00 C ATOM 1020 CG PHE A 67 1.151 6.612 -5.243 1.00 1.00 C ATOM 1021 CD1 PHE A 67 -0.046 5.991 -5.626 1.00 1.00 C ATOM 1022 CD2 PHE A 67 2.045 5.942 -4.404 1.00 1.00 C ATOM 1023 CE1 PHE A 67 -0.347 4.700 -5.174 1.00 1.00 C ATOM 1024 CE2 PHE A 67 1.746 4.653 -3.953 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.551 4.032 -4.336 1.00 1.00 C ATOM 0 H PHE A 67 1.203 9.827 -7.523 1.00 1.00 H new ATOM 0 HA PHE A 67 3.086 7.596 -7.119 1.00 1.00 H new ATOM 0 HB2 PHE A 67 2.178 8.490 -5.072 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.564 8.615 -5.743 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.739 6.510 -6.272 1.00 1.00 H new ATOM 0 HD2 PHE A 67 2.966 6.419 -4.104 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.269 4.222 -5.472 1.00 1.00 H new ATOM 0 HE2 PHE A 67 2.439 4.135 -3.307 1.00 1.00 H new ATOM 0 HZ PHE A 67 0.323 3.037 -3.984 1.00 1.00 H new ATOM 1035 N ARG A 68 1.834 5.819 -8.332 1.00 1.00 N ATOM 1036 CA ARG A 68 1.145 4.799 -9.120 1.00 1.00 C ATOM 1037 C ARG A 68 1.444 3.407 -8.583 1.00 1.00 C ATOM 1038 O ARG A 68 2.564 3.110 -8.168 1.00 1.00 O ATOM 1039 CB ARG A 68 1.558 4.887 -10.591 1.00 1.00 C ATOM 1040 CG ARG A 68 0.937 6.132 -11.226 1.00 1.00 C ATOM 1041 CD ARG A 68 1.314 6.191 -12.707 1.00 1.00 C ATOM 1042 NE ARG A 68 0.744 7.388 -13.324 1.00 1.00 N ATOM 1043 CZ ARG A 68 -0.492 7.396 -13.822 1.00 1.00 C ATOM 1044 NH1 ARG A 68 -1.197 6.297 -13.851 1.00 1.00 N ATOM 1045 NH2 ARG A 68 -0.997 8.502 -14.300 1.00 1.00 N ATOM 0 H ARG A 68 2.786 5.573 -8.060 1.00 1.00 H new ATOM 0 HA ARG A 68 0.073 4.981 -9.041 1.00 1.00 H new ATOM 0 HB2 ARG A 68 2.644 4.929 -10.672 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.233 3.994 -11.124 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -0.147 6.107 -11.116 1.00 1.00 H new ATOM 0 HG3 ARG A 68 1.288 7.028 -10.714 1.00 1.00 H new ATOM 0 HD2 ARG A 68 2.399 6.199 -12.814 1.00 1.00 H new ATOM 0 HD3 ARG A 68 0.950 5.300 -13.219 1.00 1.00 H new ATOM 0 HE ARG A 68 1.306 8.238 -13.374 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -0.802 5.428 -13.492 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -2.143 6.308 -14.233 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -0.445 9.360 -14.292 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -1.943 8.508 -14.681 1.00 1.00 H new ATOM 1059 N CYS A 69 0.426 2.551 -8.615 1.00 1.00 N ATOM 1060 CA CYS A 69 0.551 1.167 -8.150 1.00 1.00 C ATOM 1061 C CYS A 69 0.240 0.223 -9.304 1.00 1.00 C ATOM 1062 O CYS A 69 -0.883 0.208 -9.807 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.434 0.919 -7.006 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.534 -0.856 -6.669 1.00 1.00 S ATOM 0 H CYS A 69 -0.503 2.792 -8.961 1.00 1.00 H new ATOM 0 HA CYS A 69 1.566 0.990 -7.794 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -0.111 1.452 -6.112 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -1.418 1.306 -7.269 1.00 1.00 H new ATOM 0 HG CYS A 69 0.025 -1.112 -5.524 1.00 1.00 H new ATOM 1070 N VAL A 70 1.239 -0.557 -9.737 1.00 1.00 N ATOM 1071 CA VAL A 70 1.042 -1.488 -10.857 1.00 1.00 C ATOM 1072 C VAL A 70 1.298 -2.923 -10.414 1.00 1.00 C ATOM 1073 O VAL A 70 2.346 -3.233 -9.856 1.00 1.00 O ATOM 1074 CB VAL A 70 1.984 -1.122 -12.011 1.00 1.00 C ATOM 1075 CG1 VAL A 70 1.527 0.195 -12.642 1.00 1.00 C ATOM 1076 CG2 VAL A 70 3.414 -0.965 -11.492 1.00 1.00 C ATOM 0 H VAL A 70 2.177 -0.564 -9.337 1.00 1.00 H new ATOM 0 HA VAL A 70 0.009 -1.409 -11.196 1.00 1.00 H new ATOM 0 HB VAL A 70 1.960 -1.917 -12.756 1.00 1.00 H new ATOM 0 HG11 VAL A 70 2.195 0.457 -13.462 1.00 1.00 H new ATOM 0 HG12 VAL A 70 0.512 0.083 -13.023 1.00 1.00 H new ATOM 0 HG13 VAL A 70 1.548 0.985 -11.891 1.00 1.00 H new ATOM 0 HG21 VAL A 70 4.075 -0.705 -12.319 1.00 1.00 H new ATOM 0 HG22 VAL A 70 3.444 -0.175 -10.742 1.00 1.00 H new ATOM 0 HG23 VAL A 70 3.744 -1.903 -11.045 1.00 1.00 H new ATOM 1086 N GLN A 71 0.324 -3.793 -10.669 1.00 1.00 N ATOM 1087 CA GLN A 71 0.442 -5.196 -10.285 1.00 1.00 C ATOM 1088 C GLN A 71 1.273 -5.958 -11.307 1.00 1.00 C ATOM 1089 O GLN A 71 0.815 -6.216 -12.419 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.951 -5.818 -10.190 1.00 1.00 C ATOM 1091 CG GLN A 71 -0.861 -7.217 -9.580 1.00 1.00 C ATOM 1092 CD GLN A 71 -2.252 -7.835 -9.503 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -2.797 -8.064 -8.341 1.00 1.00 O flip ATOM 1094 NE2 GLN A 71 -2.867 -8.102 -10.529 1.00 1.00 N flip ATOM 0 H GLN A 71 -0.550 -3.553 -11.137 1.00 1.00 H new ATOM 0 HA GLN A 71 0.937 -5.256 -9.316 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -1.598 -5.188 -9.580 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -1.402 -5.873 -11.181 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -0.206 -7.846 -10.183 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -0.421 -7.162 -8.584 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -2.442 -7.924 -11.439 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -3.803 -8.503 -10.473 1.00 1.00 H new ATOM 1103 N GLU A 72 2.497 -6.305 -10.921 1.00 1.00 N ATOM 1104 CA GLU A 72 3.411 -7.041 -11.794 1.00 1.00 C ATOM 1105 C GLU A 72 3.716 -6.262 -13.063 1.00 1.00 C ATOM 1106 O GLU A 72 4.671 -6.575 -13.774 1.00 1.00 O ATOM 1107 CB GLU A 72 2.813 -8.401 -12.164 1.00 1.00 C ATOM 1108 CG GLU A 72 2.596 -9.218 -10.896 1.00 1.00 C ATOM 1109 CD GLU A 72 1.943 -10.554 -11.245 1.00 1.00 C ATOM 1110 OE1 GLU A 72 1.730 -10.799 -12.421 1.00 1.00 O ATOM 1111 OE2 GLU A 72 1.664 -11.312 -10.331 1.00 1.00 O ATOM 0 H GLU A 72 2.883 -6.087 -10.002 1.00 1.00 H new ATOM 0 HA GLU A 72 4.342 -7.187 -11.246 1.00 1.00 H new ATOM 0 HB2 GLU A 72 1.867 -8.265 -12.689 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.480 -8.932 -12.843 1.00 1.00 H new ATOM 0 HG2 GLU A 72 3.549 -9.389 -10.395 1.00 1.00 H new ATOM 0 HG3 GLU A 72 1.965 -8.665 -10.200 1.00 1.00 H new ATOM 1118 N ALA A 73 2.897 -5.260 -13.343 1.00 1.00 N ATOM 1119 CA ALA A 73 3.068 -4.431 -14.539 1.00 1.00 C ATOM 1120 C ALA A 73 3.517 -5.283 -15.720 1.00 1.00 C ATOM 1121 O ALA A 73 3.317 -6.497 -15.725 1.00 1.00 O ATOM 1122 CB ALA A 73 4.107 -3.338 -14.273 1.00 1.00 C ATOM 0 H ALA A 73 2.103 -4.996 -12.760 1.00 1.00 H new ATOM 0 HA ALA A 73 2.110 -3.971 -14.780 1.00 1.00 H new ATOM 0 HB1 ALA A 73 4.228 -2.726 -15.167 1.00 1.00 H new ATOM 0 HB2 ALA A 73 3.772 -2.711 -13.447 1.00 1.00 H new ATOM 0 HB3 ALA A 73 5.061 -3.798 -14.016 1.00 1.00 H new ATOM 1128 N GLU A 74 4.130 -4.639 -16.706 1.00 1.00 N ATOM 1129 CA GLU A 74 4.618 -5.342 -17.884 1.00 1.00 C ATOM 1130 C GLU A 74 3.496 -6.115 -18.567 1.00 1.00 C ATOM 1131 O GLU A 74 3.730 -6.812 -19.554 1.00 1.00 O ATOM 1132 CB GLU A 74 5.738 -6.304 -17.481 1.00 1.00 C ATOM 1133 CG GLU A 74 6.965 -5.508 -17.039 1.00 1.00 C ATOM 1134 CD GLU A 74 8.063 -6.457 -16.565 1.00 1.00 C ATOM 1135 OE1 GLU A 74 7.737 -7.409 -15.877 1.00 1.00 O ATOM 1136 OE2 GLU A 74 9.211 -6.217 -16.899 1.00 1.00 O ATOM 0 H GLU A 74 4.300 -3.633 -16.713 1.00 1.00 H new ATOM 0 HA GLU A 74 5.001 -4.605 -18.589 1.00 1.00 H new ATOM 0 HB2 GLU A 74 5.401 -6.951 -16.671 1.00 1.00 H new ATOM 0 HB3 GLU A 74 5.995 -6.951 -18.320 1.00 1.00 H new ATOM 0 HG2 GLU A 74 7.331 -4.900 -17.866 1.00 1.00 H new ATOM 0 HG3 GLU A 74 6.694 -4.823 -16.236 1.00 1.00 H new ATOM 1143 N GLU A 75 2.278 -5.978 -18.045 1.00 1.00 N ATOM 1144 CA GLU A 75 1.126 -6.663 -18.619 1.00 1.00 C ATOM 1145 C GLU A 75 -0.140 -6.354 -17.827 1.00 1.00 C ATOM 1146 O GLU A 75 -1.253 -6.522 -18.326 1.00 1.00 O ATOM 1147 CB GLU A 75 1.364 -8.177 -18.635 1.00 1.00 C ATOM 1148 CG GLU A 75 1.930 -8.610 -17.285 1.00 1.00 C ATOM 1149 CD GLU A 75 1.891 -10.130 -17.167 1.00 1.00 C ATOM 1150 OE1 GLU A 75 0.979 -10.725 -17.718 1.00 1.00 O ATOM 1151 OE2 GLU A 75 2.776 -10.679 -16.531 1.00 1.00 O ATOM 0 H GLU A 75 2.066 -5.402 -17.230 1.00 1.00 H new ATOM 0 HA GLU A 75 0.996 -6.306 -19.641 1.00 1.00 H new ATOM 0 HB2 GLU A 75 0.430 -8.702 -18.837 1.00 1.00 H new ATOM 0 HB3 GLU A 75 2.057 -8.440 -19.435 1.00 1.00 H new ATOM 0 HG2 GLU A 75 2.955 -8.255 -17.180 1.00 1.00 H new ATOM 0 HG3 GLU A 75 1.353 -8.159 -16.478 1.00 1.00 H new ATOM 1158 N THR A 76 0.040 -5.906 -16.587 1.00 1.00 N ATOM 1159 CA THR A 76 -1.084 -5.573 -15.715 1.00 1.00 C ATOM 1160 C THR A 76 -0.791 -4.286 -14.949 1.00 1.00 C ATOM 1161 O THR A 76 -0.552 -4.306 -13.737 1.00 1.00 O ATOM 1162 CB THR A 76 -1.324 -6.736 -14.734 1.00 1.00 C ATOM 1163 OG1 THR A 76 -0.109 -7.442 -14.531 1.00 1.00 O ATOM 1164 CG2 THR A 76 -2.378 -7.685 -15.298 1.00 1.00 C ATOM 0 H THR A 76 0.956 -5.765 -16.162 1.00 1.00 H new ATOM 0 HA THR A 76 -1.979 -5.418 -16.317 1.00 1.00 H new ATOM 0 HB THR A 76 -1.677 -6.335 -13.784 1.00 1.00 H new ATOM 0 HG1 THR A 76 0.513 -6.882 -14.021 1.00 1.00 H new ATOM 0 HG21 THR A 76 -2.542 -8.504 -14.598 1.00 1.00 H new ATOM 0 HG22 THR A 76 -3.312 -7.144 -15.448 1.00 1.00 H new ATOM 0 HG23 THR A 76 -2.034 -8.086 -16.252 1.00 1.00 H new ATOM 1172 N LEU A 77 -0.818 -3.168 -15.654 1.00 1.00 N ATOM 1173 CA LEU A 77 -0.558 -1.886 -15.023 1.00 1.00 C ATOM 1174 C LEU A 77 -1.785 -1.394 -14.261 1.00 1.00 C ATOM 1175 O LEU A 77 -1.813 -1.424 -13.031 1.00 1.00 O ATOM 1176 CB LEU A 77 -0.157 -0.848 -16.075 1.00 1.00 C ATOM 1177 CG LEU A 77 1.096 -1.340 -16.853 1.00 1.00 C ATOM 1178 CD1 LEU A 77 0.678 -2.061 -18.141 1.00 1.00 C ATOM 1179 CD2 LEU A 77 1.989 -0.145 -17.217 1.00 1.00 C ATOM 0 H LEU A 77 -1.015 -3.121 -16.654 1.00 1.00 H new ATOM 0 HA LEU A 77 0.261 -2.020 -14.316 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -0.983 -0.681 -16.767 1.00 1.00 H new ATOM 0 HB3 LEU A 77 0.055 0.107 -15.594 1.00 1.00 H new ATOM 0 HG LEU A 77 1.646 -2.032 -16.215 1.00 1.00 H new ATOM 0 HD11 LEU A 77 1.567 -2.399 -18.674 1.00 1.00 H new ATOM 0 HD12 LEU A 77 0.056 -2.920 -17.891 1.00 1.00 H new ATOM 0 HD13 LEU A 77 0.114 -1.376 -18.774 1.00 1.00 H new ATOM 0 HD21 LEU A 77 2.865 -0.498 -17.762 1.00 1.00 H new ATOM 0 HD22 LEU A 77 1.429 0.551 -17.842 1.00 1.00 H new ATOM 0 HD23 LEU A 77 2.308 0.361 -16.306 1.00 1.00 H new ATOM 1191 N LEU A 78 -2.786 -0.923 -14.997 1.00 1.00 N ATOM 1192 CA LEU A 78 -4.003 -0.418 -14.373 1.00 1.00 C ATOM 1193 C LEU A 78 -4.833 -1.568 -13.797 1.00 1.00 C ATOM 1194 O LEU A 78 -5.423 -1.443 -12.724 1.00 1.00 O ATOM 1195 CB LEU A 78 -4.826 0.397 -15.391 1.00 1.00 C ATOM 1196 CG LEU A 78 -4.264 1.829 -15.492 1.00 1.00 C ATOM 1197 CD1 LEU A 78 -2.829 1.789 -16.020 1.00 1.00 C ATOM 1198 CD2 LEU A 78 -5.134 2.655 -16.445 1.00 1.00 C ATOM 0 H LEU A 78 -2.780 -0.880 -16.016 1.00 1.00 H new ATOM 0 HA LEU A 78 -3.724 0.240 -13.550 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.794 -0.086 -16.368 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -5.872 0.428 -15.085 1.00 1.00 H new ATOM 0 HG LEU A 78 -4.270 2.286 -14.502 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -2.438 2.804 -16.089 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -2.207 1.206 -15.340 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -2.817 1.328 -17.008 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -4.736 3.667 -16.516 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -5.131 2.194 -17.433 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -6.155 2.692 -16.065 1.00 1.00 H new ATOM 1210 N ILE A 79 -4.877 -2.684 -14.524 1.00 1.00 N ATOM 1211 CA ILE A 79 -5.643 -3.850 -14.086 1.00 1.00 C ATOM 1212 C ILE A 79 -4.886 -4.639 -13.023 1.00 1.00 C ATOM 1213 O ILE A 79 -3.680 -4.853 -13.135 1.00 1.00 O ATOM 1214 CB ILE A 79 -5.944 -4.764 -15.276 1.00 1.00 C ATOM 1215 CG1 ILE A 79 -6.789 -4.002 -16.302 1.00 1.00 C ATOM 1216 CG2 ILE A 79 -6.719 -5.997 -14.791 1.00 1.00 C ATOM 1217 CD1 ILE A 79 -6.842 -4.786 -17.616 1.00 1.00 C ATOM 0 H ILE A 79 -4.394 -2.805 -15.414 1.00 1.00 H new ATOM 0 HA ILE A 79 -6.577 -3.490 -13.655 1.00 1.00 H new ATOM 0 HB ILE A 79 -5.009 -5.081 -15.737 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -7.797 -3.852 -15.917 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -6.364 -3.013 -16.475 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -6.934 -6.648 -15.638 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -6.120 -6.539 -14.059 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -7.655 -5.681 -14.330 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -7.444 -4.239 -18.342 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -5.832 -4.913 -18.005 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -7.288 -5.765 -17.438 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.607 -5.078 -11.988 1.00 1.00 N ATOM 1230 CA ASP A 80 -5.002 -5.852 -10.903 1.00 1.00 C ATOM 1231 C ASP A 80 -5.904 -7.028 -10.529 1.00 1.00 C ATOM 1232 O ASP A 80 -5.432 -8.070 -10.077 1.00 1.00 O ATOM 1233 CB ASP A 80 -4.805 -4.962 -9.676 1.00 1.00 C ATOM 1234 CG ASP A 80 -3.776 -3.878 -9.981 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -3.081 -4.009 -10.973 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -3.699 -2.930 -9.215 1.00 1.00 O ATOM 0 H ASP A 80 -6.607 -4.911 -11.879 1.00 1.00 H new ATOM 0 HA ASP A 80 -4.037 -6.229 -11.241 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -5.753 -4.506 -9.391 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.473 -5.563 -8.829 1.00 1.00 H new ATOM 1241 N ILE A 81 -7.208 -6.842 -10.726 1.00 1.00 N ATOM 1242 CA ILE A 81 -8.191 -7.877 -10.412 1.00 1.00 C ATOM 1243 C ILE A 81 -7.988 -9.106 -11.302 1.00 1.00 C ATOM 1244 O ILE A 81 -8.065 -10.242 -10.833 1.00 1.00 O ATOM 1245 CB ILE A 81 -9.606 -7.318 -10.617 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.870 -6.235 -9.565 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -10.635 -8.442 -10.456 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -11.137 -5.455 -9.930 1.00 1.00 C ATOM 0 H ILE A 81 -7.609 -5.983 -11.102 1.00 1.00 H new ATOM 0 HA ILE A 81 -8.061 -8.178 -9.373 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.690 -6.895 -11.618 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -9.983 -6.691 -8.581 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -9.019 -5.557 -9.506 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -11.638 -8.041 -10.602 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -10.444 -9.219 -11.196 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -10.556 -8.867 -9.455 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -11.320 -4.686 -9.179 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -11.007 -4.986 -10.905 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -11.987 -6.137 -9.966 1.00 1.00 H new ATOM 1260 N ALA A 82 -7.742 -8.868 -12.585 1.00 1.00 N ATOM 1261 CA ALA A 82 -7.544 -9.957 -13.538 1.00 1.00 C ATOM 1262 C ALA A 82 -6.438 -10.900 -13.077 1.00 1.00 C ATOM 1263 O ALA A 82 -6.240 -11.967 -13.658 1.00 1.00 O ATOM 1264 CB ALA A 82 -7.192 -9.390 -14.914 1.00 1.00 C ATOM 0 H ALA A 82 -7.675 -7.934 -12.990 1.00 1.00 H new ATOM 0 HA ALA A 82 -8.474 -10.522 -13.600 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -7.046 -10.209 -15.618 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -8.004 -8.751 -15.263 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.275 -8.805 -14.843 1.00 1.00 H new ATOM 1270 N SER A 83 -5.721 -10.507 -12.029 1.00 1.00 N ATOM 1271 CA SER A 83 -4.634 -11.327 -11.493 1.00 1.00 C ATOM 1272 C SER A 83 -4.643 -11.284 -9.970 1.00 1.00 C ATOM 1273 O SER A 83 -4.809 -10.225 -9.369 1.00 1.00 O ATOM 1274 CB SER A 83 -3.292 -10.814 -12.022 1.00 1.00 C ATOM 1275 OG SER A 83 -2.249 -11.236 -11.151 1.00 1.00 O ATOM 0 H SER A 83 -5.871 -9.628 -11.533 1.00 1.00 H new ATOM 0 HA SER A 83 -4.777 -12.359 -11.814 1.00 1.00 H new ATOM 0 HB2 SER A 83 -3.116 -11.193 -13.029 1.00 1.00 H new ATOM 0 HB3 SER A 83 -3.307 -9.726 -12.089 1.00 1.00 H new ATOM 0 HG SER A 83 -1.389 -10.910 -11.489 1.00 1.00 H new ATOM 1281 N ASN A 84 -4.460 -12.446 -9.352 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.445 -12.545 -7.894 1.00 1.00 C ATOM 1283 C ASN A 84 -3.511 -13.668 -7.462 1.00 1.00 C ATOM 1284 O ASN A 84 -2.806 -14.245 -8.289 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.858 -12.819 -7.376 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.753 -11.605 -7.616 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -6.265 -10.405 -7.468 1.00 1.00 O flip ATOM 1288 ND2 ASN A 84 -7.930 -11.757 -7.943 1.00 1.00 N flip ATOM 0 H ASN A 84 -4.320 -13.333 -9.836 1.00 1.00 H new ATOM 0 HA ASN A 84 -4.089 -11.603 -7.477 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -6.274 -13.692 -7.879 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.824 -13.050 -6.311 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -8.310 -12.697 -8.058 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -8.525 -10.943 -8.099 1.00 1.00 H new ATOM 1295 N SER A 85 -3.504 -13.970 -6.168 1.00 1.00 N ATOM 1296 CA SER A 85 -2.641 -15.025 -5.646 1.00 1.00 C ATOM 1297 C SER A 85 -1.201 -14.524 -5.577 1.00 1.00 C ATOM 1298 O SER A 85 -0.495 -14.492 -6.583 1.00 1.00 O ATOM 1299 CB SER A 85 -2.734 -16.274 -6.539 1.00 1.00 C ATOM 1300 OG SER A 85 -1.741 -16.212 -7.552 1.00 1.00 O ATOM 0 H SER A 85 -4.080 -13.505 -5.467 1.00 1.00 H new ATOM 0 HA SER A 85 -2.969 -15.294 -4.642 1.00 1.00 H new ATOM 0 HB2 SER A 85 -2.599 -17.173 -5.938 1.00 1.00 H new ATOM 0 HB3 SER A 85 -3.724 -16.338 -6.990 1.00 1.00 H new ATOM 0 HG SER A 85 -1.574 -15.276 -7.790 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.778 -14.110 -4.389 1.00 1.00 N ATOM 1307 CA GLY A 86 0.576 -13.591 -4.225 1.00 1.00 C ATOM 1308 C GLY A 86 0.820 -12.496 -5.254 1.00 1.00 C ATOM 1309 O GLY A 86 1.445 -12.727 -6.289 1.00 1.00 O ATOM 0 H GLY A 86 -1.340 -14.122 -3.538 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.707 -13.196 -3.218 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.303 -14.393 -4.350 1.00 1.00 H new ATOM 1313 N CYS A 87 0.278 -11.312 -4.979 1.00 1.00 N ATOM 1314 CA CYS A 87 0.390 -10.179 -5.905 1.00 1.00 C ATOM 1315 C CYS A 87 1.574 -9.269 -5.567 1.00 1.00 C ATOM 1316 O CYS A 87 1.812 -8.952 -4.402 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.914 -9.341 -5.854 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.228 -10.279 -5.031 1.00 1.00 S ATOM 0 H CYS A 87 -0.243 -11.109 -4.126 1.00 1.00 H new ATOM 0 HA CYS A 87 0.552 -10.588 -6.902 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.735 -8.408 -5.321 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -1.225 -9.076 -6.865 1.00 1.00 H new ATOM 1323 N LYS A 88 2.272 -8.800 -6.607 1.00 1.00 N ATOM 1324 CA LYS A 88 3.385 -7.865 -6.425 1.00 1.00 C ATOM 1325 C LYS A 88 2.988 -6.522 -7.032 1.00 1.00 C ATOM 1326 O LYS A 88 2.616 -6.459 -8.202 1.00 1.00 O ATOM 1327 CB LYS A 88 4.649 -8.368 -7.126 1.00 1.00 C ATOM 1328 CG LYS A 88 5.102 -9.709 -6.532 1.00 1.00 C ATOM 1329 CD LYS A 88 6.321 -10.215 -7.309 1.00 1.00 C ATOM 1330 CE LYS A 88 6.808 -11.546 -6.722 1.00 1.00 C ATOM 1331 NZ LYS A 88 7.990 -12.033 -7.495 1.00 1.00 N ATOM 0 H LYS A 88 2.087 -9.051 -7.578 1.00 1.00 H new ATOM 0 HA LYS A 88 3.596 -7.770 -5.360 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.458 -8.483 -8.193 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.446 -7.631 -7.023 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.352 -9.588 -5.478 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.293 -10.437 -6.586 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.063 -10.345 -8.360 1.00 1.00 H new ATOM 0 HD3 LYS A 88 7.121 -9.476 -7.266 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.075 -11.416 -5.673 1.00 1.00 H new ATOM 0 HE3 LYS A 88 6.008 -12.285 -6.758 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 8.318 -12.935 -7.095 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 7.721 -12.173 -8.490 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 8.755 -11.331 -7.439 1.00 1.00 H new ATOM 1345 N ILE A 89 3.064 -5.447 -6.244 1.00 1.00 N ATOM 1346 CA ILE A 89 2.706 -4.110 -6.735 1.00 1.00 C ATOM 1347 C ILE A 89 3.914 -3.181 -6.651 1.00 1.00 C ATOM 1348 O ILE A 89 4.566 -3.090 -5.612 1.00 1.00 O ATOM 1349 CB ILE A 89 1.547 -3.524 -5.901 1.00 1.00 C ATOM 1350 CG1 ILE A 89 1.749 -3.862 -4.406 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.209 -4.096 -6.380 1.00 1.00 C ATOM 1352 CD1 ILE A 89 1.183 -2.736 -3.528 1.00 1.00 C ATOM 0 H ILE A 89 3.367 -5.473 -5.271 1.00 1.00 H new ATOM 0 HA ILE A 89 2.388 -4.197 -7.774 1.00 1.00 H new ATOM 0 HB ILE A 89 1.538 -2.441 -6.028 1.00 1.00 H new ATOM 0 HG12 ILE A 89 1.253 -4.803 -4.168 1.00 1.00 H new ATOM 0 HG13 ILE A 89 2.810 -3.999 -4.196 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.601 -3.675 -5.784 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.059 -3.840 -7.429 1.00 1.00 H new ATOM 0 HG23 ILE A 89 0.216 -5.180 -6.268 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.331 -2.985 -2.477 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.698 -1.803 -3.756 1.00 1.00 H new ATOM 0 HD13 ILE A 89 0.118 -2.620 -3.727 1.00 1.00 H new ATOM 1364 N ARG A 90 4.202 -2.486 -7.749 1.00 1.00 N ATOM 1365 CA ARG A 90 5.332 -1.559 -7.788 1.00 1.00 C ATOM 1366 C ARG A 90 4.847 -0.144 -7.506 1.00 1.00 C ATOM 1367 O ARG A 90 3.759 0.241 -7.929 1.00 1.00 O ATOM 1368 CB ARG A 90 6.019 -1.605 -9.159 1.00 1.00 C ATOM 1369 CG ARG A 90 6.045 -3.042 -9.682 1.00 1.00 C ATOM 1370 CD ARG A 90 6.749 -3.941 -8.668 1.00 1.00 C ATOM 1371 NE ARG A 90 7.000 -5.252 -9.254 1.00 1.00 N ATOM 1372 CZ ARG A 90 7.322 -6.305 -8.505 1.00 1.00 C ATOM 1373 NH1 ARG A 90 7.350 -6.211 -7.202 1.00 1.00 N ATOM 1374 NH2 ARG A 90 7.596 -7.445 -9.078 1.00 1.00 N ATOM 0 H ARG A 90 3.673 -2.546 -8.619 1.00 1.00 H new ATOM 0 HA ARG A 90 6.052 -1.856 -7.025 1.00 1.00 H new ATOM 0 HB2 ARG A 90 5.489 -0.963 -9.862 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.036 -1.220 -9.079 1.00 1.00 H new ATOM 0 HG2 ARG A 90 5.029 -3.396 -9.854 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.563 -3.082 -10.640 1.00 1.00 H new ATOM 0 HD2 ARG A 90 7.690 -3.486 -8.358 1.00 1.00 H new ATOM 0 HD3 ARG A 90 6.135 -4.045 -7.774 1.00 1.00 H new ATOM 0 HE ARG A 90 6.927 -5.366 -10.265 1.00 1.00 H new ATOM 0 HH11 ARG A 90 7.124 -5.325 -6.750 1.00 1.00 H new ATOM 0 HH12 ARG A 90 7.598 -7.023 -6.637 1.00 1.00 H new ATOM 0 HH21 ARG A 90 7.563 -7.526 -10.094 1.00 1.00 H new ATOM 0 HH22 ARG A 90 7.843 -8.255 -8.510 1.00 1.00 H new ATOM 1388 N VAL A 91 5.655 0.620 -6.779 1.00 1.00 N ATOM 1389 CA VAL A 91 5.297 1.993 -6.425 1.00 1.00 C ATOM 1390 C VAL A 91 6.391 2.954 -6.873 1.00 1.00 C ATOM 1391 O VAL A 91 7.580 2.702 -6.672 1.00 1.00 O ATOM 1392 CB VAL A 91 5.114 2.105 -4.908 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.954 3.575 -4.498 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.868 1.320 -4.487 1.00 1.00 C ATOM 0 H VAL A 91 6.561 0.315 -6.423 1.00 1.00 H new ATOM 0 HA VAL A 91 4.365 2.253 -6.927 1.00 1.00 H new ATOM 0 HB VAL A 91 5.994 1.694 -4.414 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.825 3.639 -3.418 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.843 4.133 -4.791 1.00 1.00 H new ATOM 0 HG13 VAL A 91 4.080 3.998 -4.994 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.736 1.398 -3.408 1.00 1.00 H new ATOM 0 HG22 VAL A 91 2.992 1.730 -4.990 1.00 1.00 H new ATOM 0 HG23 VAL A 91 3.988 0.272 -4.763 1.00 1.00 H new ATOM 1404 N GLN A 92 5.975 4.061 -7.472 1.00 1.00 N ATOM 1405 CA GLN A 92 6.909 5.085 -7.944 1.00 1.00 C ATOM 1406 C GLN A 92 6.454 6.462 -7.475 1.00 1.00 C ATOM 1407 O GLN A 92 5.261 6.772 -7.489 1.00 1.00 O ATOM 1408 CB GLN A 92 6.989 5.060 -9.471 1.00 1.00 C ATOM 1409 CG GLN A 92 5.607 5.351 -10.059 1.00 1.00 C ATOM 1410 CD GLN A 92 5.644 5.182 -11.572 1.00 1.00 C ATOM 1411 OE1 GLN A 92 6.357 4.321 -12.084 1.00 1.00 O ATOM 1412 NE2 GLN A 92 4.913 5.960 -12.322 1.00 1.00 N ATOM 0 H GLN A 92 4.993 4.277 -7.645 1.00 1.00 H new ATOM 0 HA GLN A 92 7.896 4.875 -7.533 1.00 1.00 H new ATOM 0 HB2 GLN A 92 7.708 5.801 -9.820 1.00 1.00 H new ATOM 0 HB3 GLN A 92 7.343 4.087 -9.811 1.00 1.00 H new ATOM 0 HG2 GLN A 92 4.868 4.676 -9.627 1.00 1.00 H new ATOM 0 HG3 GLN A 92 5.300 6.365 -9.805 1.00 1.00 H new ATOM 0 HE21 GLN A 92 4.323 6.673 -11.894 1.00 1.00 H new ATOM 0 HE22 GLN A 92 4.932 5.855 -13.336 1.00 1.00 H new ATOM 1421 N GLY A 93 7.409 7.284 -7.058 1.00 1.00 N ATOM 1422 CA GLY A 93 7.097 8.626 -6.585 1.00 1.00 C ATOM 1423 C GLY A 93 8.358 9.475 -6.496 1.00 1.00 C ATOM 1424 O GLY A 93 9.469 8.972 -6.643 1.00 1.00 O ATOM 0 H GLY A 93 8.401 7.046 -7.038 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.383 9.097 -7.260 1.00 1.00 H new ATOM 0 HA3 GLY A 93 6.621 8.570 -5.606 1.00 1.00 H new ATOM 1428 N ASP A 94 8.186 10.769 -6.270 1.00 1.00 N ATOM 1429 CA ASP A 94 9.326 11.675 -6.174 1.00 1.00 C ATOM 1430 C ASP A 94 10.138 11.422 -4.902 1.00 1.00 C ATOM 1431 O ASP A 94 11.365 11.435 -4.928 1.00 1.00 O ATOM 1432 CB ASP A 94 8.836 13.123 -6.194 1.00 1.00 C ATOM 1433 CG ASP A 94 10.022 14.077 -6.133 1.00 1.00 C ATOM 1434 OD1 ASP A 94 11.133 13.604 -5.960 1.00 1.00 O ATOM 1435 OD2 ASP A 94 9.803 15.270 -6.261 1.00 1.00 O ATOM 0 H ASP A 94 7.276 11.215 -6.150 1.00 1.00 H new ATOM 0 HA ASP A 94 9.976 11.492 -7.030 1.00 1.00 H new ATOM 0 HB2 ASP A 94 8.257 13.307 -7.099 1.00 1.00 H new ATOM 0 HB3 ASP A 94 8.171 13.302 -5.349 1.00 1.00 H new ATOM 1440 N TRP A 95 9.441 11.217 -3.790 1.00 1.00 N ATOM 1441 CA TRP A 95 10.101 10.986 -2.505 1.00 1.00 C ATOM 1442 C TRP A 95 10.888 9.672 -2.498 1.00 1.00 C ATOM 1443 O TRP A 95 11.915 9.567 -1.826 1.00 1.00 O ATOM 1444 CB TRP A 95 9.050 10.996 -1.377 1.00 1.00 C ATOM 1445 CG TRP A 95 7.775 10.392 -1.871 1.00 1.00 C ATOM 1446 CD1 TRP A 95 7.344 9.143 -1.593 1.00 1.00 C ATOM 1447 CD2 TRP A 95 6.758 10.997 -2.719 1.00 1.00 C ATOM 1448 NE1 TRP A 95 6.131 8.938 -2.230 1.00 1.00 N ATOM 1449 CE2 TRP A 95 5.724 10.056 -2.927 1.00 1.00 C ATOM 1450 CE3 TRP A 95 6.631 12.265 -3.311 1.00 1.00 C ATOM 1451 CZ2 TRP A 95 4.612 10.355 -3.714 1.00 1.00 C ATOM 1452 CZ3 TRP A 95 5.513 12.571 -4.103 1.00 1.00 C ATOM 1453 CH2 TRP A 95 4.501 11.621 -4.296 1.00 1.00 C ATOM 0 H TRP A 95 8.422 11.206 -3.749 1.00 1.00 H new ATOM 0 HA TRP A 95 10.818 11.790 -2.340 1.00 1.00 H new ATOM 0 HB2 TRP A 95 9.420 10.437 -0.518 1.00 1.00 H new ATOM 0 HB3 TRP A 95 8.873 12.018 -1.040 1.00 1.00 H new ATOM 0 HD1 TRP A 95 7.860 8.422 -0.976 1.00 1.00 H new ATOM 0 HE1 TRP A 95 5.603 8.066 -2.188 1.00 1.00 H new ATOM 0 HE3 TRP A 95 7.398 13.009 -3.156 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 3.843 9.614 -3.873 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 5.432 13.543 -4.566 1.00 1.00 H new ATOM 0 HH2 TRP A 95 3.636 11.867 -4.894 1.00 1.00 H new ATOM 1464 N ILE A 96 10.407 8.673 -3.237 1.00 1.00 N ATOM 1465 CA ILE A 96 11.080 7.364 -3.298 1.00 1.00 C ATOM 1466 C ILE A 96 11.300 6.947 -4.752 1.00 1.00 C ATOM 1467 O ILE A 96 10.435 7.157 -5.596 1.00 1.00 O ATOM 1468 CB ILE A 96 10.236 6.310 -2.557 1.00 1.00 C ATOM 1469 CG1 ILE A 96 8.826 6.251 -3.172 1.00 1.00 C ATOM 1470 CG2 ILE A 96 10.150 6.675 -1.058 1.00 1.00 C ATOM 1471 CD1 ILE A 96 8.034 5.098 -2.552 1.00 1.00 C ATOM 0 H ILE A 96 9.559 8.738 -3.801 1.00 1.00 H new ATOM 0 HA ILE A 96 12.053 7.441 -2.813 1.00 1.00 H new ATOM 0 HB ILE A 96 10.706 5.331 -2.656 1.00 1.00 H new ATOM 0 HG12 ILE A 96 8.306 7.194 -3.002 1.00 1.00 H new ATOM 0 HG13 ILE A 96 8.896 6.116 -4.251 1.00 1.00 H new ATOM 0 HG21 ILE A 96 9.552 5.928 -0.535 1.00 1.00 H new ATOM 0 HG22 ILE A 96 11.153 6.701 -0.632 1.00 1.00 H new ATOM 0 HG23 ILE A 96 9.684 7.654 -0.948 1.00 1.00 H new ATOM 0 HD11 ILE A 96 7.038 5.063 -2.992 1.00 1.00 H new ATOM 0 HD12 ILE A 96 8.549 4.157 -2.745 1.00 1.00 H new ATOM 0 HD13 ILE A 96 7.950 5.251 -1.476 1.00 1.00 H new ATOM 1483 N ARG A 97 12.464 6.373 -5.050 1.00 1.00 N ATOM 1484 CA ARG A 97 12.755 5.964 -6.424 1.00 1.00 C ATOM 1485 C ARG A 97 11.816 4.845 -6.866 1.00 1.00 C ATOM 1486 O ARG A 97 11.098 4.983 -7.855 1.00 1.00 O ATOM 1487 CB ARG A 97 14.207 5.487 -6.542 1.00 1.00 C ATOM 1488 CG ARG A 97 15.163 6.677 -6.411 1.00 1.00 C ATOM 1489 CD ARG A 97 16.613 6.176 -6.406 1.00 1.00 C ATOM 1490 NE ARG A 97 16.918 5.507 -7.667 1.00 1.00 N ATOM 1491 CZ ARG A 97 18.062 4.846 -7.846 1.00 1.00 C ATOM 1492 NH1 ARG A 97 18.992 4.873 -6.930 1.00 1.00 N ATOM 1493 NH2 ARG A 97 18.262 4.187 -8.954 1.00 1.00 N ATOM 0 H ARG A 97 13.206 6.183 -4.377 1.00 1.00 H new ATOM 0 HA ARG A 97 12.605 6.828 -7.071 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.421 4.751 -5.766 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.359 4.992 -7.501 1.00 1.00 H new ATOM 0 HG2 ARG A 97 15.011 7.371 -7.237 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.954 7.225 -5.492 1.00 1.00 H new ATOM 0 HD2 ARG A 97 17.295 7.013 -6.256 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.765 5.488 -5.574 1.00 1.00 H new ATOM 0 HE ARG A 97 16.241 5.546 -8.429 1.00 1.00 H new ATOM 0 HH11 ARG A 97 18.846 5.402 -6.070 1.00 1.00 H new ATOM 0 HH12 ARG A 97 19.865 4.365 -7.074 1.00 1.00 H new ATOM 0 HH21 ARG A 97 17.545 4.179 -9.679 1.00 1.00 H new ATOM 0 HH22 ARG A 97 19.136 3.680 -9.095 1.00 1.00 H new ATOM 1507 N GLU A 98 11.825 3.742 -6.119 1.00 1.00 N ATOM 1508 CA GLU A 98 10.969 2.601 -6.433 1.00 1.00 C ATOM 1509 C GLU A 98 11.099 1.526 -5.358 1.00 1.00 C ATOM 1510 O GLU A 98 12.118 0.840 -5.268 1.00 1.00 O ATOM 1511 CB GLU A 98 11.346 2.012 -7.797 1.00 1.00 C ATOM 1512 CG GLU A 98 10.399 0.860 -8.147 1.00 1.00 C ATOM 1513 CD GLU A 98 10.717 0.330 -9.543 1.00 1.00 C ATOM 1514 OE1 GLU A 98 11.426 1.011 -10.265 1.00 1.00 O ATOM 1515 OE2 GLU A 98 10.247 -0.749 -9.868 1.00 1.00 O ATOM 0 H GLU A 98 12.413 3.615 -5.295 1.00 1.00 H new ATOM 0 HA GLU A 98 9.936 2.947 -6.466 1.00 1.00 H new ATOM 0 HB2 GLU A 98 11.292 2.785 -8.564 1.00 1.00 H new ATOM 0 HB3 GLU A 98 12.376 1.655 -7.777 1.00 1.00 H new ATOM 0 HG2 GLU A 98 10.499 0.060 -7.414 1.00 1.00 H new ATOM 0 HG3 GLU A 98 9.365 1.203 -8.106 1.00 1.00 H new ATOM 1522 N ARG A 99 10.050 1.384 -4.553 1.00 1.00 N ATOM 1523 CA ARG A 99 10.020 0.387 -3.480 1.00 1.00 C ATOM 1524 C ARG A 99 9.079 -0.755 -3.865 1.00 1.00 C ATOM 1525 O ARG A 99 7.909 -0.522 -4.162 1.00 1.00 O ATOM 1526 CB ARG A 99 9.523 1.044 -2.189 1.00 1.00 C ATOM 1527 CG ARG A 99 10.521 2.107 -1.724 1.00 1.00 C ATOM 1528 CD ARG A 99 9.980 2.793 -0.467 1.00 1.00 C ATOM 1529 NE ARG A 99 9.913 1.838 0.634 1.00 1.00 N ATOM 1530 CZ ARG A 99 9.364 2.165 1.799 1.00 1.00 C ATOM 1531 NH1 ARG A 99 8.859 3.356 1.973 1.00 1.00 N ATOM 1532 NH2 ARG A 99 9.327 1.293 2.769 1.00 1.00 N ATOM 0 H ARG A 99 9.204 1.949 -4.622 1.00 1.00 H new ATOM 0 HA ARG A 99 11.024 -0.009 -3.326 1.00 1.00 H new ATOM 0 HB2 ARG A 99 8.546 1.499 -2.355 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.395 0.289 -1.413 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.487 1.648 -1.515 1.00 1.00 H new ATOM 0 HG3 ARG A 99 10.681 2.842 -2.513 1.00 1.00 H new ATOM 0 HD2 ARG A 99 10.623 3.630 -0.194 1.00 1.00 H new ATOM 0 HD3 ARG A 99 8.989 3.203 -0.664 1.00 1.00 H new ATOM 0 HE ARG A 99 10.295 0.901 0.507 1.00 1.00 H new ATOM 0 HH11 ARG A 99 8.885 4.037 1.214 1.00 1.00 H new ATOM 0 HH12 ARG A 99 8.438 3.606 2.868 1.00 1.00 H new ATOM 0 HH21 ARG A 99 9.719 0.361 2.633 1.00 1.00 H new ATOM 0 HH22 ARG A 99 8.906 1.543 3.664 1.00 1.00 H new ATOM 1546 N ARG A 100 9.584 -1.988 -3.868 1.00 1.00 N ATOM 1547 CA ARG A 100 8.750 -3.133 -4.240 1.00 1.00 C ATOM 1548 C ARG A 100 7.933 -3.635 -3.044 1.00 1.00 C ATOM 1549 O ARG A 100 8.384 -3.575 -1.899 1.00 1.00 O ATOM 1550 CB ARG A 100 9.614 -4.267 -4.820 1.00 1.00 C ATOM 1551 CG ARG A 100 10.208 -3.824 -6.162 1.00 1.00 C ATOM 1552 CD ARG A 100 11.045 -4.956 -6.774 1.00 1.00 C ATOM 1553 NE ARG A 100 11.663 -4.493 -8.017 1.00 1.00 N ATOM 1554 CZ ARG A 100 10.972 -4.414 -9.156 1.00 1.00 C ATOM 1555 NH1 ARG A 100 9.823 -5.019 -9.273 1.00 1.00 N ATOM 1556 NH2 ARG A 100 11.483 -3.793 -10.187 1.00 1.00 N ATOM 0 H ARG A 100 10.547 -2.219 -3.623 1.00 1.00 H new ATOM 0 HA ARG A 100 8.051 -2.803 -5.008 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.413 -4.522 -4.124 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.011 -5.165 -4.956 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.408 -3.543 -6.847 1.00 1.00 H new ATOM 0 HG3 ARG A 100 10.829 -2.940 -6.018 1.00 1.00 H new ATOM 0 HD2 ARG A 100 11.814 -5.274 -6.070 1.00 1.00 H new ATOM 0 HD3 ARG A 100 10.414 -5.823 -6.971 1.00 1.00 H new ATOM 0 HE ARG A 100 12.647 -4.224 -8.013 1.00 1.00 H new ATOM 0 HH11 ARG A 100 9.448 -5.556 -8.491 1.00 1.00 H new ATOM 0 HH12 ARG A 100 9.299 -4.955 -10.146 1.00 1.00 H new ATOM 0 HH21 ARG A 100 12.409 -3.370 -10.120 1.00 1.00 H new ATOM 0 HH22 ARG A 100 10.956 -3.732 -11.058 1.00 1.00 H new ATOM 1570 N PHE A 101 6.719 -4.124 -3.328 1.00 1.00 N ATOM 1571 CA PHE A 101 5.821 -4.631 -2.285 1.00 1.00 C ATOM 1572 C PHE A 101 5.066 -5.859 -2.789 1.00 1.00 C ATOM 1573 O PHE A 101 4.761 -5.959 -3.979 1.00 1.00 O ATOM 1574 CB PHE A 101 4.808 -3.544 -1.909 1.00 1.00 C ATOM 1575 CG PHE A 101 5.508 -2.374 -1.264 1.00 1.00 C ATOM 1576 CD1 PHE A 101 6.014 -2.492 0.035 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.646 -1.170 -1.965 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.655 -1.402 0.635 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.286 -0.081 -1.367 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.793 -0.198 -0.066 1.00 1.00 C ATOM 0 H PHE A 101 6.337 -4.179 -4.272 1.00 1.00 H new ATOM 0 HA PHE A 101 6.416 -4.906 -1.414 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.275 -3.211 -2.799 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.063 -3.952 -1.226 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.910 -3.422 0.574 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.257 -1.083 -2.969 1.00 1.00 H new ATOM 0 HE1 PHE A 101 7.043 -1.490 1.639 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.390 0.849 -1.907 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.291 0.641 0.396 1.00 1.00 H new ATOM 1590 N GLU A 102 4.767 -6.788 -1.884 1.00 1.00 N ATOM 1591 CA GLU A 102 4.043 -8.010 -2.252 1.00 1.00 C ATOM 1592 C GLU A 102 3.110 -8.449 -1.128 1.00 1.00 C ATOM 1593 O GLU A 102 3.367 -8.179 0.041 1.00 1.00 O ATOM 1594 CB GLU A 102 5.052 -9.124 -2.555 1.00 1.00 C ATOM 1595 CG GLU A 102 4.326 -10.380 -3.042 1.00 1.00 C ATOM 1596 CD GLU A 102 5.344 -11.460 -3.401 1.00 1.00 C ATOM 1597 OE1 GLU A 102 6.508 -11.280 -3.079 1.00 1.00 O ATOM 1598 OE2 GLU A 102 4.946 -12.447 -3.997 1.00 1.00 O ATOM 0 H GLU A 102 5.011 -6.722 -0.896 1.00 1.00 H new ATOM 0 HA GLU A 102 3.439 -7.807 -3.136 1.00 1.00 H new ATOM 0 HB2 GLU A 102 5.759 -8.787 -3.313 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.630 -9.354 -1.660 1.00 1.00 H new ATOM 0 HG2 GLU A 102 3.653 -10.745 -2.267 1.00 1.00 H new ATOM 0 HG3 GLU A 102 3.712 -10.142 -3.911 1.00 1.00 H new ATOM 1605 N ILE A 103 2.028 -9.140 -1.493 1.00 1.00 N ATOM 1606 CA ILE A 103 1.059 -9.635 -0.509 1.00 1.00 C ATOM 1607 C ILE A 103 0.851 -11.143 -0.717 1.00 1.00 C ATOM 1608 O ILE A 103 0.167 -11.537 -1.660 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.282 -8.901 -0.666 1.00 1.00 C ATOM 1610 CG1 ILE A 103 -0.101 -7.388 -0.374 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.295 -9.500 0.317 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.202 -6.635 -1.672 1.00 1.00 C ATOM 0 H ILE A 103 1.800 -9.370 -2.460 1.00 1.00 H new ATOM 0 HA ILE A 103 1.443 -9.451 0.494 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.643 -9.018 -1.688 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -1.005 -6.988 0.086 1.00 1.00 H new ATOM 0 HG13 ILE A 103 0.711 -7.242 0.339 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.250 -8.986 0.213 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.428 -10.560 0.101 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -0.927 -9.381 1.336 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.327 -5.574 -1.456 1.00 1.00 H new ATOM 0 HD12 ILE A 103 1.118 -7.026 -2.114 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -0.624 -6.768 -2.371 1.00 1.00 H new ATOM 1624 N PRO A 104 1.438 -11.999 0.100 1.00 1.00 N ATOM 1625 CA PRO A 104 1.303 -13.477 -0.083 1.00 1.00 C ATOM 1626 C PRO A 104 -0.088 -13.997 0.275 1.00 1.00 C ATOM 1627 O PRO A 104 -0.433 -15.134 -0.048 1.00 1.00 O ATOM 1628 CB PRO A 104 2.385 -14.065 0.839 1.00 1.00 C ATOM 1629 CG PRO A 104 2.593 -13.039 1.909 1.00 1.00 C ATOM 1630 CD PRO A 104 2.272 -11.676 1.282 1.00 1.00 C ATOM 0 HA PRO A 104 1.431 -13.767 -1.126 1.00 1.00 H new ATOM 0 HB2 PRO A 104 2.065 -15.017 1.264 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.308 -14.255 0.291 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.945 -13.234 2.763 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.619 -13.064 2.275 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.737 -11.033 1.981 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.181 -11.147 0.994 1.00 1.00 H new ATOM 1638 N ASP A 105 -0.883 -13.164 0.936 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.234 -13.558 1.321 1.00 1.00 C ATOM 1640 C ASP A 105 -3.214 -13.147 0.230 1.00 1.00 C ATOM 1641 O ASP A 105 -3.517 -11.971 0.071 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.601 -12.893 2.647 1.00 1.00 C ATOM 1643 CG ASP A 105 -1.847 -13.563 3.792 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.293 -14.627 3.571 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -1.837 -13.000 4.875 1.00 1.00 O ATOM 0 H ASP A 105 -0.619 -12.219 1.215 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.281 -14.640 1.446 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.356 -11.831 2.611 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.675 -12.967 2.815 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.676 -14.132 -0.533 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.595 -13.883 -1.644 1.00 1.00 C ATOM 1652 C GLU A 106 -5.886 -13.214 -1.184 1.00 1.00 C ATOM 1653 O GLU A 106 -6.260 -12.163 -1.702 1.00 1.00 O ATOM 1654 CB GLU A 106 -4.920 -15.211 -2.331 1.00 1.00 C ATOM 1655 CG GLU A 106 -5.748 -14.958 -3.592 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.034 -16.281 -4.298 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -5.391 -17.262 -3.958 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.892 -16.296 -5.165 1.00 1.00 O ATOM 0 H GLU A 106 -3.430 -15.113 -0.404 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.105 -13.202 -2.340 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -3.998 -15.731 -2.590 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.470 -15.858 -1.648 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.684 -14.465 -3.330 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.211 -14.287 -4.262 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.572 -13.818 -0.224 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.827 -13.254 0.262 1.00 1.00 C ATOM 1667 C GLU A 107 -7.642 -11.784 0.636 1.00 1.00 C ATOM 1668 O GLU A 107 -8.463 -10.939 0.279 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.352 -14.048 1.470 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.200 -14.417 2.418 1.00 1.00 C ATOM 1671 CD GLU A 107 -6.440 -15.630 1.890 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -7.085 -16.539 1.389 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -5.225 -15.635 1.999 1.00 1.00 O ATOM 0 H GLU A 107 -6.288 -14.686 0.230 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.563 -13.322 -0.540 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.095 -13.457 2.005 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.852 -14.954 1.127 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.520 -13.571 2.520 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.594 -14.631 3.412 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.557 -11.482 1.336 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.274 -10.108 1.729 1.00 1.00 C ATOM 1682 C HIS A 108 -5.930 -9.263 0.500 1.00 1.00 C ATOM 1683 O HIS A 108 -6.320 -8.099 0.402 1.00 1.00 O ATOM 1684 CB HIS A 108 -5.102 -10.085 2.715 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.543 -10.584 4.068 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.658 -10.693 5.130 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.760 -10.998 4.555 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -5.346 -11.154 6.191 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.632 -11.357 5.895 1.00 1.00 N ATOM 0 H HIS A 108 -5.863 -12.164 1.642 1.00 1.00 H new ATOM 0 HA HIS A 108 -7.160 -9.689 2.207 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.289 -10.706 2.338 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.713 -9.071 2.804 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.677 -11.039 3.985 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -4.911 -11.337 7.162 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -7.364 -11.701 6.517 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.188 -9.857 -0.431 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.781 -9.153 -1.642 1.00 1.00 C ATOM 1699 C CYS A 109 -5.997 -8.634 -2.401 1.00 1.00 C ATOM 1700 O CYS A 109 -5.948 -7.568 -3.002 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.950 -10.091 -2.542 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.684 -9.142 -3.421 1.00 1.00 S ATOM 0 H CYS A 109 -4.858 -10.820 -0.370 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.168 -8.298 -1.356 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.480 -10.867 -1.938 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.601 -10.594 -3.257 1.00 1.00 H new ATOM 1707 N LEU A 110 -7.077 -9.400 -2.394 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.270 -8.988 -3.119 1.00 1.00 C ATOM 1709 C LEU A 110 -8.824 -7.677 -2.568 1.00 1.00 C ATOM 1710 O LEU A 110 -9.158 -6.774 -3.333 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.355 -10.075 -3.014 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.877 -11.384 -3.659 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.950 -12.460 -3.461 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.627 -11.177 -5.158 1.00 1.00 C ATOM 0 H LEU A 110 -7.153 -10.292 -1.906 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.991 -8.842 -4.162 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.602 -10.249 -1.967 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.267 -9.734 -3.504 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.945 -11.697 -3.189 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.618 -13.393 -3.916 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -10.117 -12.616 -2.395 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.879 -12.138 -3.930 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.289 -12.113 -5.603 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.551 -10.859 -5.641 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.863 -10.412 -5.297 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.926 -7.570 -1.248 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.460 -6.351 -0.648 1.00 1.00 C ATOM 1728 C LYS A 111 -8.520 -5.172 -0.882 1.00 1.00 C ATOM 1729 O LYS A 111 -8.950 -4.070 -1.221 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.660 -6.539 0.860 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.754 -7.577 1.100 1.00 1.00 C ATOM 1732 CD LYS A 111 -10.923 -7.815 2.601 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.001 -8.876 2.826 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.147 -9.137 4.285 1.00 1.00 N ATOM 0 H LYS A 111 -8.653 -8.295 -0.584 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.420 -6.142 -1.121 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.728 -6.862 1.324 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -9.935 -5.591 1.323 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.694 -7.234 0.669 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.497 -8.511 0.601 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -9.979 -8.141 3.038 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.201 -6.886 3.099 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -12.950 -8.539 2.410 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -11.734 -9.796 2.306 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -12.880 -9.859 4.437 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.242 -9.477 4.669 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.421 -8.258 4.769 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.237 -5.423 -0.678 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.214 -4.401 -0.847 1.00 1.00 C ATOM 1750 C PHE A 112 -6.142 -3.917 -2.294 1.00 1.00 C ATOM 1751 O PHE A 112 -6.130 -2.714 -2.556 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.865 -4.994 -0.433 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.730 -4.098 -0.866 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.574 -2.842 -0.276 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.845 -4.520 -1.865 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.527 -2.008 -0.679 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.802 -3.688 -2.272 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.644 -2.430 -1.683 1.00 1.00 C ATOM 0 H PHE A 112 -6.876 -6.333 -0.393 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.465 -3.543 -0.224 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.837 -5.126 0.649 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.745 -5.982 -0.878 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.261 -2.515 0.490 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.970 -5.491 -2.321 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.398 -1.040 -0.218 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.118 -4.015 -3.041 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.841 -1.782 -2.002 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.086 -4.860 -3.222 1.00 1.00 N ATOM 1769 CA LEU A 113 -6.001 -4.518 -4.628 1.00 1.00 C ATOM 1770 C LEU A 113 -7.271 -3.822 -5.114 1.00 1.00 C ATOM 1771 O LEU A 113 -7.205 -2.854 -5.868 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.746 -5.788 -5.439 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.330 -6.320 -5.138 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.151 -7.685 -5.809 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.257 -5.333 -5.650 1.00 1.00 C ATOM 0 H LEU A 113 -6.098 -5.861 -3.026 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.175 -3.820 -4.766 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.490 -6.545 -5.191 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.848 -5.578 -6.504 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.211 -6.423 -4.060 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.151 -8.065 -5.599 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.893 -8.382 -5.420 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.281 -7.581 -6.886 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.265 -5.727 -5.428 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.364 -5.206 -6.727 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.384 -4.369 -5.156 1.00 1.00 H new ATOM 1787 N SER A 114 -8.419 -4.315 -4.680 1.00 1.00 N ATOM 1788 CA SER A 114 -9.689 -3.725 -5.087 1.00 1.00 C ATOM 1789 C SER A 114 -9.793 -2.275 -4.610 1.00 1.00 C ATOM 1790 O SER A 114 -10.239 -1.402 -5.353 1.00 1.00 O ATOM 1791 CB SER A 114 -10.845 -4.540 -4.512 1.00 1.00 C ATOM 1792 OG SER A 114 -10.798 -5.857 -5.047 1.00 1.00 O ATOM 0 H SER A 114 -8.501 -5.114 -4.052 1.00 1.00 H new ATOM 0 HA SER A 114 -9.741 -3.736 -6.176 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.777 -4.573 -3.425 1.00 1.00 H new ATOM 0 HB3 SER A 114 -11.796 -4.068 -4.758 1.00 1.00 H new ATOM 0 HG SER A 114 -10.407 -6.465 -4.385 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.393 -2.030 -3.366 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.463 -0.685 -2.800 1.00 1.00 C ATOM 1800 C ALA A 115 -8.466 0.258 -3.481 1.00 1.00 C ATOM 1801 O ALA A 115 -8.816 1.377 -3.860 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.193 -0.749 -1.288 1.00 1.00 C ATOM 0 H ALA A 115 -9.020 -2.738 -2.734 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.463 -0.288 -2.973 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.245 0.255 -0.866 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -9.941 -1.382 -0.811 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.201 -1.165 -1.113 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.225 -0.199 -3.629 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.181 0.612 -4.262 1.00 1.00 C ATOM 1810 C VAL A 116 -6.481 0.840 -5.737 1.00 1.00 C ATOM 1811 O VAL A 116 -6.302 1.940 -6.256 1.00 1.00 O ATOM 1812 CB VAL A 116 -4.820 -0.073 -4.105 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.764 0.672 -4.928 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.411 -0.051 -2.632 1.00 1.00 C ATOM 0 H VAL A 116 -6.916 -1.121 -3.322 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.157 1.582 -3.766 1.00 1.00 H new ATOM 0 HB VAL A 116 -4.894 -1.102 -4.457 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -2.798 0.180 -4.812 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.051 0.665 -5.980 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.691 1.702 -4.579 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.443 -0.538 -2.516 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.342 0.981 -2.289 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.157 -0.581 -2.039 1.00 1.00 H new ATOM 1824 N LEU A 117 -6.926 -0.210 -6.408 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.235 -0.119 -7.824 1.00 1.00 C ATOM 1826 C LEU A 117 -8.305 0.928 -8.059 1.00 1.00 C ATOM 1827 O LEU A 117 -8.223 1.719 -8.998 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.739 -1.473 -8.326 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.044 -1.403 -9.852 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.554 -2.684 -10.542 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -9.559 -1.258 -10.092 1.00 1.00 C ATOM 0 H LEU A 117 -7.080 -1.131 -5.997 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.331 0.163 -8.364 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.991 -2.242 -8.132 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.639 -1.759 -7.781 1.00 1.00 H new ATOM 0 HG LEU A 117 -7.527 -0.537 -10.265 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.771 -2.628 -11.609 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.479 -2.788 -10.395 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -8.064 -3.546 -10.113 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -9.755 -1.211 -11.163 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -10.079 -2.116 -9.666 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.917 -0.345 -9.617 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.312 0.928 -7.202 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.400 1.882 -7.323 1.00 1.00 C ATOM 1845 C ALA A 118 -9.875 3.305 -7.160 1.00 1.00 C ATOM 1846 O ALA A 118 -10.314 4.220 -7.857 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.461 1.590 -6.265 1.00 1.00 C ATOM 0 H ALA A 118 -9.398 0.281 -6.418 1.00 1.00 H new ATOM 0 HA ALA A 118 -10.846 1.787 -8.313 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.276 2.308 -6.359 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -11.848 0.581 -6.407 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.018 1.672 -5.273 1.00 1.00 H new ATOM 1853 N ALA A 119 -8.931 3.484 -6.244 1.00 1.00 N ATOM 1854 CA ALA A 119 -8.357 4.803 -6.016 1.00 1.00 C ATOM 1855 C ALA A 119 -7.568 5.266 -7.241 1.00 1.00 C ATOM 1856 O ALA A 119 -7.670 6.422 -7.650 1.00 1.00 O ATOM 1857 CB ALA A 119 -7.443 4.773 -4.789 1.00 1.00 C ATOM 0 H ALA A 119 -8.551 2.743 -5.655 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.170 5.507 -5.840 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.019 5.764 -4.627 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.020 4.478 -3.913 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -6.638 4.056 -4.952 1.00 1.00 H new ATOM 1863 N GLN A 120 -6.787 4.360 -7.824 1.00 1.00 N ATOM 1864 CA GLN A 120 -5.986 4.694 -9.003 1.00 1.00 C ATOM 1865 C GLN A 120 -6.874 4.913 -10.229 1.00 1.00 C ATOM 1866 O GLN A 120 -6.607 5.794 -11.045 1.00 1.00 O ATOM 1867 CB GLN A 120 -4.963 3.576 -9.283 1.00 1.00 C ATOM 1868 CG GLN A 120 -3.765 3.708 -8.335 1.00 1.00 C ATOM 1869 CD GLN A 120 -2.878 4.864 -8.782 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -2.730 5.108 -9.980 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.269 5.589 -7.888 1.00 1.00 N ATOM 0 H GLN A 120 -6.691 3.396 -7.504 1.00 1.00 H new ATOM 0 HA GLN A 120 -5.454 5.623 -8.799 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.433 2.601 -9.153 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -4.626 3.632 -10.318 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.113 3.877 -7.316 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -3.192 2.781 -8.326 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -2.393 5.386 -6.896 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.668 6.360 -8.180 1.00 1.00 H new ATOM 1880 N LYS A 121 -7.920 4.107 -10.355 1.00 1.00 N ATOM 1881 CA LYS A 121 -8.834 4.223 -11.486 1.00 1.00 C ATOM 1882 C LYS A 121 -9.483 5.602 -11.487 1.00 1.00 C ATOM 1883 O LYS A 121 -9.558 6.268 -12.520 1.00 1.00 O ATOM 1884 CB LYS A 121 -9.904 3.133 -11.367 1.00 1.00 C ATOM 1885 CG LYS A 121 -10.847 3.143 -12.574 1.00 1.00 C ATOM 1886 CD LYS A 121 -11.917 2.068 -12.355 1.00 1.00 C ATOM 1887 CE LYS A 121 -12.879 2.021 -13.545 1.00 1.00 C ATOM 1888 NZ LYS A 121 -13.897 0.950 -13.321 1.00 1.00 N ATOM 0 H LYS A 121 -8.157 3.369 -9.692 1.00 1.00 H new ATOM 0 HA LYS A 121 -8.288 4.098 -12.421 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.425 2.157 -11.286 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.479 3.283 -10.453 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -11.310 4.123 -12.686 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.292 2.946 -13.491 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.443 1.095 -12.224 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.471 2.278 -11.440 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -13.371 2.986 -13.667 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -12.327 1.827 -14.465 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -14.551 0.918 -14.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -13.419 0.031 -13.225 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -14.431 1.155 -12.452 1.00 1.00 H new ATOM 1902 N ALA A 122 -9.946 6.025 -10.316 1.00 1.00 N ATOM 1903 CA ALA A 122 -10.595 7.330 -10.177 1.00 1.00 C ATOM 1904 C ALA A 122 -9.644 8.471 -10.546 1.00 1.00 C ATOM 1905 O ALA A 122 -10.034 9.404 -11.248 1.00 1.00 O ATOM 1906 CB ALA A 122 -11.083 7.515 -8.739 1.00 1.00 C ATOM 0 H ALA A 122 -9.886 5.488 -9.451 1.00 1.00 H new ATOM 0 HA ALA A 122 -11.442 7.358 -10.863 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -11.565 8.488 -8.641 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -11.797 6.729 -8.493 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -10.235 7.460 -8.057 1.00 1.00 H new ATOM 1912 N GLN A 123 -8.402 8.398 -10.074 1.00 1.00 N ATOM 1913 CA GLN A 123 -7.426 9.444 -10.372 1.00 1.00 C ATOM 1914 C GLN A 123 -7.091 9.458 -11.863 1.00 1.00 C ATOM 1915 O GLN A 123 -6.932 10.521 -12.463 1.00 1.00 O ATOM 1916 CB GLN A 123 -6.148 9.227 -9.556 1.00 1.00 C ATOM 1917 CG GLN A 123 -6.462 9.372 -8.063 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.849 10.811 -7.741 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -6.185 11.749 -8.185 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -7.886 11.042 -6.984 1.00 1.00 N ATOM 0 H GLN A 123 -8.051 7.638 -9.492 1.00 1.00 H new ATOM 0 HA GLN A 123 -7.863 10.405 -10.101 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -5.739 8.237 -9.758 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -5.389 9.951 -9.851 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -7.275 8.700 -7.788 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -5.594 9.081 -7.472 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -8.434 10.263 -6.618 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -8.149 12.001 -6.758 1.00 1.00 H new ATOM 1929 N SER A 124 -6.987 8.271 -12.454 1.00 1.00 N ATOM 1930 CA SER A 124 -6.673 8.157 -13.876 1.00 1.00 C ATOM 1931 C SER A 124 -7.933 8.337 -14.716 1.00 1.00 C ATOM 1932 O SER A 124 -7.986 9.292 -15.475 1.00 1.00 O ATOM 1933 CB SER A 124 -6.057 6.788 -14.168 1.00 1.00 C ATOM 1934 OG SER A 124 -5.704 6.717 -15.543 1.00 1.00 O ATOM 1935 OXT SER A 124 -8.827 7.516 -14.589 1.00 1.00 O ATOM 0 H SER A 124 -7.114 7.380 -11.975 1.00 1.00 H new ATOM 0 HA SER A 124 -5.959 8.939 -14.135 1.00 1.00 H new ATOM 0 HB2 SER A 124 -5.176 6.632 -13.546 1.00 1.00 H new ATOM 0 HB3 SER A 124 -6.765 5.997 -13.921 1.00 1.00 H new ATOM 0 HG SER A 124 -5.307 5.841 -15.734 1.00 1.00 H new TER 1941 SER A 124