USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 592 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 43 THR OG1 : rot 180:sc= 0.589 USER MOD Set 1.2: A 73 THR OG1 : rot 81:sc= 0.659 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 1.57 (180deg=1.37) USER MOD Single : A 2 LYS NZ :NH3+ -179:sc= 0.329 (180deg=0.329) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 1.14 (180deg=1.02) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.12) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 30 THR OG1 : rot 85:sc= 1.44 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 76:sc= 0.508 USER MOD Single : A 35 MET CE :methyl 175:sc= 0 (180deg=-0.0223) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0327) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -120:sc= 0.0219 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -69:sc= 1.11 USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= 0.00416 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.794 7.614 11.802 1.00 0.00 N ATOM 2 CA MET A 1 -5.717 6.616 12.395 1.00 0.00 C ATOM 3 C MET A 1 -6.327 5.745 11.298 1.00 0.00 C ATOM 4 O MET A 1 -6.115 4.519 11.263 1.00 0.00 O ATOM 5 CB MET A 1 -6.818 7.255 13.268 1.00 0.00 C ATOM 6 CG MET A 1 -6.276 8.053 14.465 1.00 0.00 C ATOM 7 SD MET A 1 -5.599 9.703 14.087 1.00 0.00 S ATOM 8 CE MET A 1 -5.111 10.226 15.753 1.00 0.00 C ATOM 0 H1 MET A 1 -4.584 8.353 12.504 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.910 7.144 11.519 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.239 8.046 10.967 1.00 0.00 H new ATOM 0 HA MET A 1 -5.124 5.991 13.063 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.423 7.916 12.647 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.478 6.470 13.636 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.080 8.170 15.192 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.495 7.463 14.945 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.674 11.223 15.708 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.988 10.243 16.400 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.378 9.526 16.154 1.00 0.00 H new ATOM 17 N LYS A 2 -7.097 6.338 10.374 1.00 0.00 N ATOM 18 CA LYS A 2 -7.634 5.673 9.181 1.00 0.00 C ATOM 19 C LYS A 2 -6.854 6.037 7.910 1.00 0.00 C ATOM 20 O LYS A 2 -6.317 7.141 7.786 1.00 0.00 O ATOM 21 CB LYS A 2 -9.132 5.987 9.024 1.00 0.00 C ATOM 22 CG LYS A 2 -9.977 5.310 10.119 1.00 0.00 C ATOM 23 CD LYS A 2 -11.477 5.567 9.949 1.00 0.00 C ATOM 24 CE LYS A 2 -11.843 7.040 10.177 1.00 0.00 C ATOM 25 NZ LYS A 2 -13.250 7.304 9.790 1.00 0.00 N ATOM 0 H LYS A 2 -7.370 7.319 10.439 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.514 4.599 9.322 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.283 7.066 9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.472 5.653 8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.792 4.236 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.658 5.674 11.096 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.783 5.269 8.946 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.032 4.944 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.696 7.297 11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.177 7.678 9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.468 8.310 9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.385 7.064 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.885 6.723 10.374 1.00 0.00 H new ATOM 39 N ILE A 3 -6.853 5.124 6.941 1.00 0.00 N ATOM 40 CA ILE A 3 -6.304 5.292 5.589 1.00 0.00 C ATOM 41 C ILE A 3 -7.310 4.777 4.559 1.00 0.00 C ATOM 42 O ILE A 3 -8.128 3.904 4.862 1.00 0.00 O ATOM 43 CB ILE A 3 -4.915 4.617 5.430 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.903 3.076 5.611 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.911 5.251 6.407 1.00 0.00 C ATOM 46 CD1 ILE A 3 -5.155 2.279 4.323 1.00 0.00 C ATOM 0 H ILE A 3 -7.255 4.197 7.081 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.140 6.355 5.416 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.631 4.794 4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.939 2.779 6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.661 2.804 6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.938 4.773 6.290 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.820 6.316 6.194 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.262 5.114 7.430 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.129 1.212 4.544 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.132 2.542 3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.383 2.517 3.591 1.00 0.00 H new ATOM 58 N LYS A 4 -7.245 5.296 3.332 1.00 0.00 N ATOM 59 CA LYS A 4 -7.843 4.653 2.152 1.00 0.00 C ATOM 60 C LYS A 4 -6.786 3.871 1.374 1.00 0.00 C ATOM 61 O LYS A 4 -5.637 4.303 1.259 1.00 0.00 O ATOM 62 CB LYS A 4 -8.549 5.685 1.258 1.00 0.00 C ATOM 63 CG LYS A 4 -10.004 5.934 1.686 1.00 0.00 C ATOM 64 CD LYS A 4 -10.669 6.942 0.738 1.00 0.00 C ATOM 65 CE LYS A 4 -12.191 7.023 0.924 1.00 0.00 C ATOM 66 NZ LYS A 4 -12.590 7.751 2.158 1.00 0.00 N ATOM 0 H LYS A 4 -6.775 6.177 3.124 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.600 3.947 2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.998 6.625 1.289 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.531 5.339 0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.559 4.996 1.679 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.031 6.312 2.708 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.235 7.928 0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.448 6.664 -0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.631 7.519 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.601 6.014 0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.603 7.981 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.407 7.153 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.039 8.630 2.236 1.00 0.00 H new ATOM 80 N ILE A 5 -7.206 2.760 0.778 1.00 0.00 N ATOM 81 CA ILE A 5 -6.460 2.042 -0.256 1.00 0.00 C ATOM 82 C ILE A 5 -7.323 1.910 -1.515 1.00 0.00 C ATOM 83 O ILE A 5 -8.522 1.636 -1.430 1.00 0.00 O ATOM 84 CB ILE A 5 -5.885 0.714 0.282 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.962 0.064 -0.773 1.00 0.00 C ATOM 86 CG2 ILE A 5 -6.981 -0.270 0.738 1.00 0.00 C ATOM 87 CD1 ILE A 5 -3.948 -0.916 -0.172 1.00 0.00 C ATOM 0 H ILE A 5 -8.098 2.320 1.005 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.580 2.614 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.299 0.954 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.574 -0.462 -1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.426 0.848 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.518 -1.185 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.570 0.185 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.631 -0.506 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.332 -1.336 -0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.312 -0.390 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.478 -1.720 0.339 1.00 0.00 H new ATOM 99 N VAL A 6 -6.716 2.142 -2.680 1.00 0.00 N ATOM 100 CA VAL A 6 -7.389 2.183 -3.987 1.00 0.00 C ATOM 101 C VAL A 6 -6.730 1.164 -4.932 1.00 0.00 C ATOM 102 O VAL A 6 -5.856 1.527 -5.728 1.00 0.00 O ATOM 103 CB VAL A 6 -7.400 3.617 -4.565 1.00 0.00 C ATOM 104 CG1 VAL A 6 -8.398 3.716 -5.724 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.768 4.682 -3.520 1.00 0.00 C ATOM 0 H VAL A 6 -5.712 2.312 -2.746 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.435 1.901 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.384 3.812 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.395 4.731 -6.121 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.112 3.018 -6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.397 3.470 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.759 5.667 -3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.763 4.476 -3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.043 4.659 -2.706 1.00 0.00 H new ATOM 115 N PRO A 7 -7.055 -0.136 -4.802 1.00 0.00 N ATOM 116 CA PRO A 7 -6.437 -1.190 -5.598 1.00 0.00 C ATOM 117 C PRO A 7 -7.068 -1.322 -6.993 1.00 0.00 C ATOM 118 O PRO A 7 -8.290 -1.302 -7.147 1.00 0.00 O ATOM 119 CB PRO A 7 -6.591 -2.450 -4.743 1.00 0.00 C ATOM 120 CG PRO A 7 -7.926 -2.228 -4.031 1.00 0.00 C ATOM 121 CD PRO A 7 -7.936 -0.720 -3.792 1.00 0.00 C ATOM 0 HA PRO A 7 -5.390 -0.981 -5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.606 -3.352 -5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.770 -2.559 -4.034 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.769 -2.546 -4.644 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.984 -2.786 -3.096 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.946 -0.320 -3.879 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.585 -0.484 -2.787 1.00 0.00 H new ATOM 129 N ALA A 8 -6.233 -1.510 -8.018 1.00 0.00 N ATOM 130 CA ALA A 8 -6.625 -1.656 -9.428 1.00 0.00 C ATOM 131 C ALA A 8 -7.195 -3.054 -9.794 1.00 0.00 C ATOM 132 O ALA A 8 -6.944 -3.572 -10.887 1.00 0.00 O ATOM 133 CB ALA A 8 -5.420 -1.247 -10.289 1.00 0.00 C ATOM 0 H ALA A 8 -5.223 -1.567 -7.886 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.469 -0.996 -9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.677 -1.344 -11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.154 -0.212 -10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.573 -1.895 -10.061 1.00 0.00 H new ATOM 139 N VAL A 9 -7.939 -3.685 -8.879 1.00 0.00 N ATOM 140 CA VAL A 9 -8.484 -5.058 -8.981 1.00 0.00 C ATOM 141 C VAL A 9 -9.875 -5.166 -8.339 1.00 0.00 C ATOM 142 O VAL A 9 -10.262 -4.325 -7.524 1.00 0.00 O ATOM 143 CB VAL A 9 -7.538 -6.104 -8.347 1.00 0.00 C ATOM 144 CG1 VAL A 9 -6.258 -6.305 -9.161 1.00 0.00 C ATOM 145 CG2 VAL A 9 -7.132 -5.762 -6.911 1.00 0.00 C ATOM 0 H VAL A 9 -8.195 -3.236 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.572 -5.272 -10.046 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.124 -7.023 -8.342 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.629 -7.049 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.514 -6.648 -10.163 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.717 -5.361 -9.228 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.468 -6.536 -6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.616 -4.802 -6.898 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.023 -5.704 -6.285 1.00 0.00 H new ATOM 155 N GLY A 10 -10.632 -6.209 -8.696 1.00 0.00 N ATOM 156 CA GLY A 10 -11.974 -6.469 -8.158 1.00 0.00 C ATOM 157 C GLY A 10 -12.961 -5.349 -8.502 1.00 0.00 C ATOM 158 O GLY A 10 -13.210 -5.073 -9.680 1.00 0.00 O ATOM 0 H GLY A 10 -10.327 -6.906 -9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.346 -7.414 -8.555 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.915 -6.579 -7.075 1.00 0.00 H new ATOM 162 N GLY A 11 -13.497 -4.677 -7.479 1.00 0.00 N ATOM 163 CA GLY A 11 -14.361 -3.500 -7.635 1.00 0.00 C ATOM 164 C GLY A 11 -13.648 -2.243 -8.166 1.00 0.00 C ATOM 165 O GLY A 11 -14.315 -1.328 -8.656 1.00 0.00 O ATOM 0 H GLY A 11 -13.342 -4.938 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.176 -3.752 -8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.810 -3.266 -6.670 1.00 0.00 H new ATOM 169 N GLY A 12 -12.311 -2.180 -8.091 1.00 0.00 N ATOM 170 CA GLY A 12 -11.495 -1.053 -8.573 1.00 0.00 C ATOM 171 C GLY A 12 -11.678 0.265 -7.797 1.00 0.00 C ATOM 172 O GLY A 12 -11.260 1.325 -8.269 1.00 0.00 O ATOM 0 H GLY A 12 -11.752 -2.929 -7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.444 -1.340 -8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.732 -0.875 -9.622 1.00 0.00 H new ATOM 176 N SER A 13 -12.346 0.215 -6.643 1.00 0.00 N ATOM 177 CA SER A 13 -12.836 1.357 -5.858 1.00 0.00 C ATOM 178 C SER A 13 -12.013 1.597 -4.576 1.00 0.00 C ATOM 179 O SER A 13 -11.321 0.685 -4.108 1.00 0.00 O ATOM 180 CB SER A 13 -14.314 1.101 -5.516 1.00 0.00 C ATOM 181 OG SER A 13 -14.475 -0.119 -4.805 1.00 0.00 O ATOM 0 H SER A 13 -12.575 -0.676 -6.202 1.00 0.00 H new ATOM 0 HA SER A 13 -12.728 2.262 -6.455 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.700 1.927 -4.918 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.902 1.070 -6.433 1.00 0.00 H new ATOM 0 HG SER A 13 -15.423 -0.255 -4.599 1.00 0.00 H new ATOM 187 N PRO A 14 -12.066 2.804 -3.976 1.00 0.00 N ATOM 188 CA PRO A 14 -11.473 3.067 -2.663 1.00 0.00 C ATOM 189 C PRO A 14 -12.155 2.255 -1.547 1.00 0.00 C ATOM 190 O PRO A 14 -13.386 2.197 -1.470 1.00 0.00 O ATOM 191 CB PRO A 14 -11.642 4.575 -2.428 1.00 0.00 C ATOM 192 CG PRO A 14 -12.859 4.940 -3.277 1.00 0.00 C ATOM 193 CD PRO A 14 -12.716 4.009 -4.480 1.00 0.00 C ATOM 0 HA PRO A 14 -10.426 2.766 -2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.807 4.800 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.757 5.130 -2.738 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.793 4.770 -2.741 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.847 5.989 -3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.689 3.776 -4.912 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.121 4.474 -5.266 1.00 0.00 H new ATOM 201 N LEU A 15 -11.354 1.693 -0.636 1.00 0.00 N ATOM 202 CA LEU A 15 -11.795 1.108 0.637 1.00 0.00 C ATOM 203 C LEU A 15 -11.056 1.764 1.813 1.00 0.00 C ATOM 204 O LEU A 15 -9.847 1.984 1.744 1.00 0.00 O ATOM 205 CB LEU A 15 -11.597 -0.420 0.643 1.00 0.00 C ATOM 206 CG LEU A 15 -12.491 -1.169 -0.371 1.00 0.00 C ATOM 207 CD1 LEU A 15 -11.663 -1.761 -1.513 1.00 0.00 C ATOM 208 CD2 LEU A 15 -13.243 -2.319 0.304 1.00 0.00 C ATOM 0 H LEU A 15 -10.345 1.630 -0.768 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.861 1.303 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.552 -0.642 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.802 -0.800 1.644 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.196 -0.436 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.322 -2.281 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.141 -0.960 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.935 -2.464 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.864 -2.829 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.527 -3.024 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.874 -1.924 1.100 1.00 0.00 H new ATOM 220 N GLU A 16 -11.780 2.074 2.890 1.00 0.00 N ATOM 221 CA GLU A 16 -11.246 2.719 4.098 1.00 0.00 C ATOM 222 C GLU A 16 -10.980 1.699 5.223 1.00 0.00 C ATOM 223 O GLU A 16 -11.814 0.830 5.495 1.00 0.00 O ATOM 224 CB GLU A 16 -12.199 3.849 4.524 1.00 0.00 C ATOM 225 CG GLU A 16 -11.672 4.709 5.687 1.00 0.00 C ATOM 226 CD GLU A 16 -12.387 6.074 5.776 1.00 0.00 C ATOM 227 OE1 GLU A 16 -12.396 6.816 4.762 1.00 0.00 O ATOM 228 OE2 GLU A 16 -12.920 6.423 6.861 1.00 0.00 O ATOM 0 H GLU A 16 -12.779 1.880 2.951 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.273 3.158 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.388 4.494 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.156 3.414 4.812 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.805 4.169 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.601 4.870 5.561 1.00 0.00 H new ATOM 235 N LEU A 17 -9.820 1.807 5.881 1.00 0.00 N ATOM 236 CA LEU A 17 -9.310 0.872 6.893 1.00 0.00 C ATOM 237 C LEU A 17 -8.586 1.605 8.033 1.00 0.00 C ATOM 238 O LEU A 17 -7.925 2.620 7.822 1.00 0.00 O ATOM 239 CB LEU A 17 -8.349 -0.138 6.223 1.00 0.00 C ATOM 240 CG LEU A 17 -9.038 -1.390 5.650 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.087 -2.132 4.710 1.00 0.00 C ATOM 242 CD2 LEU A 17 -9.446 -2.358 6.767 1.00 0.00 C ATOM 0 H LEU A 17 -9.181 2.584 5.715 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.161 0.346 7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.814 0.367 5.419 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.604 -0.451 6.954 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.925 -1.055 5.113 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.585 -3.015 4.311 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.801 -1.475 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.196 -2.435 5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.930 -3.232 6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.560 -2.671 7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.139 -1.860 7.445 1.00 0.00 H new ATOM 254 N GLU A 18 -8.668 1.055 9.244 1.00 0.00 N ATOM 255 CA GLU A 18 -7.826 1.439 10.387 1.00 0.00 C ATOM 256 C GLU A 18 -6.446 0.755 10.306 1.00 0.00 C ATOM 257 O GLU A 18 -6.350 -0.399 9.874 1.00 0.00 O ATOM 258 CB GLU A 18 -8.579 1.089 11.683 1.00 0.00 C ATOM 259 CG GLU A 18 -7.852 1.532 12.963 1.00 0.00 C ATOM 260 CD GLU A 18 -8.659 1.218 14.241 1.00 0.00 C ATOM 261 OE1 GLU A 18 -9.898 1.407 14.268 1.00 0.00 O ATOM 262 OE2 GLU A 18 -8.045 0.790 15.253 1.00 0.00 O ATOM 0 H GLU A 18 -9.333 0.315 9.467 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.634 2.512 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.564 1.555 11.657 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.737 0.011 11.721 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.884 1.035 13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.658 2.603 12.914 1.00 0.00 H new ATOM 269 N VAL A 19 -5.372 1.439 10.725 1.00 0.00 N ATOM 270 CA VAL A 19 -3.990 0.913 10.673 1.00 0.00 C ATOM 271 C VAL A 19 -3.139 1.375 11.867 1.00 0.00 C ATOM 272 O VAL A 19 -3.300 2.490 12.370 1.00 0.00 O ATOM 273 CB VAL A 19 -3.343 1.242 9.307 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.069 2.738 9.113 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.033 0.479 9.082 1.00 0.00 C ATOM 0 H VAL A 19 -5.433 2.380 11.113 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.037 -0.172 10.762 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.083 0.923 8.573 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.615 2.901 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.007 3.291 9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.390 3.087 9.891 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.619 0.745 8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.320 0.742 9.864 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.227 -0.593 9.113 1.00 0.00 H new ATOM 285 N ALA A 20 -2.235 0.509 12.334 1.00 0.00 N ATOM 286 CA ALA A 20 -1.308 0.788 13.435 1.00 0.00 C ATOM 287 C ALA A 20 -0.187 1.781 13.033 1.00 0.00 C ATOM 288 O ALA A 20 0.283 1.742 11.891 1.00 0.00 O ATOM 289 CB ALA A 20 -0.719 -0.547 13.917 1.00 0.00 C ATOM 0 H ALA A 20 -2.125 -0.428 11.948 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.857 1.273 14.242 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.025 -0.364 14.737 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.524 -1.197 14.261 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.190 -1.029 13.095 1.00 0.00 H new ATOM 295 N PRO A 21 0.321 2.623 13.959 1.00 0.00 N ATOM 296 CA PRO A 21 1.428 3.550 13.683 1.00 0.00 C ATOM 297 C PRO A 21 2.769 2.835 13.430 1.00 0.00 C ATOM 298 O PRO A 21 3.650 3.382 12.763 1.00 0.00 O ATOM 299 CB PRO A 21 1.497 4.456 14.918 1.00 0.00 C ATOM 300 CG PRO A 21 0.969 3.570 16.046 1.00 0.00 C ATOM 301 CD PRO A 21 -0.111 2.746 15.346 1.00 0.00 C ATOM 0 HA PRO A 21 1.248 4.108 12.764 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.516 4.789 15.114 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.888 5.351 14.793 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.752 2.939 16.466 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.561 4.159 16.867 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.218 1.766 15.811 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.082 3.237 15.411 1.00 0.00 H new ATOM 309 N ASN A 22 2.922 1.601 13.928 1.00 0.00 N ATOM 310 CA ASN A 22 4.102 0.750 13.744 1.00 0.00 C ATOM 311 C ASN A 22 4.122 -0.011 12.393 1.00 0.00 C ATOM 312 O ASN A 22 4.995 -0.852 12.180 1.00 0.00 O ATOM 313 CB ASN A 22 4.189 -0.201 14.955 1.00 0.00 C ATOM 314 CG ASN A 22 5.563 -0.843 15.106 1.00 0.00 C ATOM 315 OD1 ASN A 22 6.582 -0.172 15.196 1.00 0.00 O ATOM 316 ND2 ASN A 22 5.643 -2.154 15.162 1.00 0.00 N ATOM 0 H ASN A 22 2.199 1.152 14.491 1.00 0.00 H new ATOM 0 HA ASN A 22 4.987 1.384 13.696 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.950 0.352 15.863 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.437 -0.983 14.851 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.550 -2.605 15.280 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.798 -2.720 15.088 1.00 0.00 H new ATOM 323 N ALA A 23 3.169 0.246 11.486 1.00 0.00 N ATOM 324 CA ALA A 23 3.121 -0.385 10.163 1.00 0.00 C ATOM 325 C ALA A 23 4.407 -0.130 9.350 1.00 0.00 C ATOM 326 O ALA A 23 4.956 0.977 9.370 1.00 0.00 O ATOM 327 CB ALA A 23 1.878 0.113 9.417 1.00 0.00 C ATOM 0 H ALA A 23 2.406 0.902 11.652 1.00 0.00 H new ATOM 0 HA ALA A 23 3.056 -1.465 10.294 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.835 -0.351 8.432 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.984 -0.151 9.982 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.930 1.196 9.306 1.00 0.00 H new ATOM 333 N THR A 24 4.871 -1.154 8.623 1.00 0.00 N ATOM 334 CA THR A 24 6.135 -1.129 7.864 1.00 0.00 C ATOM 335 C THR A 24 5.913 -1.358 6.369 1.00 0.00 C ATOM 336 O THR A 24 5.007 -2.090 5.957 1.00 0.00 O ATOM 337 CB THR A 24 7.188 -2.123 8.406 1.00 0.00 C ATOM 338 OG1 THR A 24 6.969 -3.431 7.921 1.00 0.00 O ATOM 339 CG2 THR A 24 7.250 -2.235 9.931 1.00 0.00 C ATOM 0 H THR A 24 4.372 -2.040 8.542 1.00 0.00 H new ATOM 0 HA THR A 24 6.534 -0.124 8.004 1.00 0.00 H new ATOM 0 HB THR A 24 8.128 -1.702 8.049 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.653 -4.033 8.282 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.018 -2.956 10.212 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.492 -1.262 10.358 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.284 -2.567 10.311 1.00 0.00 H new ATOM 347 N VAL A 25 6.778 -0.771 5.539 1.00 0.00 N ATOM 348 CA VAL A 25 6.772 -0.962 4.075 1.00 0.00 C ATOM 349 C VAL A 25 6.997 -2.423 3.673 1.00 0.00 C ATOM 350 O VAL A 25 6.362 -2.900 2.732 1.00 0.00 O ATOM 351 CB VAL A 25 7.817 -0.060 3.393 1.00 0.00 C ATOM 352 CG1 VAL A 25 7.344 1.393 3.429 1.00 0.00 C ATOM 353 CG2 VAL A 25 9.215 -0.138 4.028 1.00 0.00 C ATOM 0 H VAL A 25 7.513 -0.142 5.862 1.00 0.00 H new ATOM 0 HA VAL A 25 5.778 -0.676 3.732 1.00 0.00 H new ATOM 0 HB VAL A 25 7.909 -0.425 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.086 2.029 2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.393 1.479 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.215 1.708 4.464 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.895 0.525 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.158 0.168 5.073 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.585 -1.162 3.969 1.00 0.00 H new ATOM 363 N GLY A 26 7.838 -3.156 4.412 1.00 0.00 N ATOM 364 CA GLY A 26 8.101 -4.578 4.181 1.00 0.00 C ATOM 365 C GLY A 26 6.870 -5.446 4.438 1.00 0.00 C ATOM 366 O GLY A 26 6.531 -6.286 3.602 1.00 0.00 O ATOM 0 H GLY A 26 8.362 -2.771 5.198 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.435 -4.721 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.914 -4.904 4.829 1.00 0.00 H new ATOM 370 N ALA A 27 6.152 -5.198 5.537 1.00 0.00 N ATOM 371 CA ALA A 27 4.911 -5.900 5.862 1.00 0.00 C ATOM 372 C ALA A 27 3.807 -5.631 4.826 1.00 0.00 C ATOM 373 O ALA A 27 3.201 -6.579 4.326 1.00 0.00 O ATOM 374 CB ALA A 27 4.460 -5.504 7.275 1.00 0.00 C ATOM 0 H ALA A 27 6.419 -4.499 6.230 1.00 0.00 H new ATOM 0 HA ALA A 27 5.103 -6.973 5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.535 -6.025 7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.233 -5.777 7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.292 -4.428 7.315 1.00 0.00 H new ATOM 380 N VAL A 28 3.576 -4.365 4.453 1.00 0.00 N ATOM 381 CA VAL A 28 2.541 -3.994 3.468 1.00 0.00 C ATOM 382 C VAL A 28 2.841 -4.598 2.089 1.00 0.00 C ATOM 383 O VAL A 28 1.971 -5.251 1.510 1.00 0.00 O ATOM 384 CB VAL A 28 2.359 -2.463 3.398 1.00 0.00 C ATOM 385 CG1 VAL A 28 1.371 -2.048 2.301 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.809 -1.909 4.720 1.00 0.00 C ATOM 0 H VAL A 28 4.097 -3.569 4.822 1.00 0.00 H new ATOM 0 HA VAL A 28 1.594 -4.416 3.804 1.00 0.00 H new ATOM 0 HB VAL A 28 3.349 -2.060 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.275 -0.962 2.289 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.737 -2.390 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.397 -2.496 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.691 -0.828 4.641 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.842 -2.365 4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.503 -2.140 5.528 1.00 0.00 H new ATOM 396 N ARG A 29 4.080 -4.466 1.589 1.00 0.00 N ATOM 397 CA ARG A 29 4.515 -5.061 0.310 1.00 0.00 C ATOM 398 C ARG A 29 4.374 -6.585 0.319 1.00 0.00 C ATOM 399 O ARG A 29 3.820 -7.159 -0.614 1.00 0.00 O ATOM 400 CB ARG A 29 5.971 -4.642 0.032 1.00 0.00 C ATOM 401 CG ARG A 29 6.507 -5.124 -1.334 1.00 0.00 C ATOM 402 CD ARG A 29 7.980 -5.548 -1.270 1.00 0.00 C ATOM 403 NE ARG A 29 8.163 -6.766 -0.449 1.00 0.00 N ATOM 404 CZ ARG A 29 9.248 -7.516 -0.365 1.00 0.00 C ATOM 405 NH1 ARG A 29 10.324 -7.259 -1.054 1.00 0.00 N ATOM 406 NH2 ARG A 29 9.268 -8.547 0.428 1.00 0.00 N ATOM 0 H ARG A 29 4.815 -3.940 2.062 1.00 0.00 H new ATOM 0 HA ARG A 29 3.871 -4.691 -0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.042 -3.555 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.610 -5.036 0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.905 -5.964 -1.681 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.393 -4.326 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.351 -5.730 -2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.575 -4.735 -0.853 1.00 0.00 H new ATOM 0 HE ARG A 29 7.364 -7.059 0.114 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.347 -6.457 -1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.143 -7.860 -0.964 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.446 -8.777 0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.106 -9.125 0.492 1.00 0.00 H new ATOM 420 N THR A 30 4.853 -7.252 1.367 1.00 0.00 N ATOM 421 CA THR A 30 4.832 -8.723 1.442 1.00 0.00 C ATOM 422 C THR A 30 3.408 -9.266 1.579 1.00 0.00 C ATOM 423 O THR A 30 3.075 -10.270 0.947 1.00 0.00 O ATOM 424 CB THR A 30 5.747 -9.223 2.570 1.00 0.00 C ATOM 425 OG1 THR A 30 7.057 -8.749 2.327 1.00 0.00 O ATOM 426 CG2 THR A 30 5.834 -10.745 2.652 1.00 0.00 C ATOM 0 H THR A 30 5.264 -6.800 2.184 1.00 0.00 H new ATOM 0 HA THR A 30 5.222 -9.110 0.501 1.00 0.00 H new ATOM 0 HB THR A 30 5.322 -8.855 3.504 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.151 -7.845 2.694 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.496 -11.028 3.470 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.841 -11.157 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.227 -11.138 1.714 1.00 0.00 H new ATOM 434 N LYS A 31 2.525 -8.575 2.316 1.00 0.00 N ATOM 435 CA LYS A 31 1.098 -8.920 2.423 1.00 0.00 C ATOM 436 C LYS A 31 0.351 -8.726 1.099 1.00 0.00 C ATOM 437 O LYS A 31 -0.430 -9.597 0.720 1.00 0.00 O ATOM 438 CB LYS A 31 0.478 -8.134 3.590 1.00 0.00 C ATOM 439 CG LYS A 31 -0.938 -8.625 3.941 1.00 0.00 C ATOM 440 CD LYS A 31 -1.394 -8.170 5.337 1.00 0.00 C ATOM 441 CE LYS A 31 -0.614 -8.895 6.449 1.00 0.00 C ATOM 442 NZ LYS A 31 -1.094 -8.517 7.803 1.00 0.00 N ATOM 0 H LYS A 31 2.784 -7.752 2.860 1.00 0.00 H new ATOM 0 HA LYS A 31 1.002 -9.984 2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.119 -8.225 4.467 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.439 -7.076 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.642 -8.256 3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.963 -9.714 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.253 -7.094 5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.460 -8.363 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.712 -9.973 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.446 -8.659 6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.542 -9.027 8.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.977 -7.493 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.099 -8.766 7.897 1.00 0.00 H new ATOM 456 N VAL A 32 0.662 -7.671 0.338 1.00 0.00 N ATOM 457 CA VAL A 32 0.218 -7.510 -1.062 1.00 0.00 C ATOM 458 C VAL A 32 0.653 -8.706 -1.916 1.00 0.00 C ATOM 459 O VAL A 32 -0.187 -9.333 -2.560 1.00 0.00 O ATOM 460 CB VAL A 32 0.737 -6.178 -1.647 1.00 0.00 C ATOM 461 CG1 VAL A 32 0.800 -6.134 -3.180 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.142 -5.017 -1.169 1.00 0.00 C ATOM 0 H VAL A 32 1.233 -6.896 0.674 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.871 -7.478 -1.076 1.00 0.00 H new ATOM 0 HB VAL A 32 1.761 -6.088 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.175 -5.162 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.467 -6.918 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.198 -6.291 -3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.232 -4.082 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.168 -5.178 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.115 -4.965 -0.081 1.00 0.00 H new ATOM 472 N CYS A 33 1.938 -9.070 -1.887 1.00 0.00 N ATOM 473 CA CYS A 33 2.469 -10.181 -2.687 1.00 0.00 C ATOM 474 C CYS A 33 1.832 -11.532 -2.310 1.00 0.00 C ATOM 475 O CYS A 33 1.531 -12.340 -3.189 1.00 0.00 O ATOM 476 CB CYS A 33 3.998 -10.224 -2.552 1.00 0.00 C ATOM 477 SG CYS A 33 4.727 -8.700 -3.219 1.00 0.00 S ATOM 0 H CYS A 33 2.639 -8.605 -1.310 1.00 0.00 H new ATOM 0 HA CYS A 33 2.207 -10.005 -3.730 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.275 -10.341 -1.504 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.394 -11.089 -3.084 1.00 0.00 H new ATOM 0 HG CYS A 33 4.552 -7.729 -2.373 1.00 0.00 H new ATOM 483 N ALA A 34 1.555 -11.760 -1.021 1.00 0.00 N ATOM 484 CA ALA A 34 0.842 -12.939 -0.534 1.00 0.00 C ATOM 485 C ALA A 34 -0.626 -12.981 -1.008 1.00 0.00 C ATOM 486 O ALA A 34 -1.087 -14.025 -1.475 1.00 0.00 O ATOM 487 CB ALA A 34 0.941 -12.966 0.997 1.00 0.00 C ATOM 0 H ALA A 34 1.826 -11.117 -0.277 1.00 0.00 H new ATOM 0 HA ALA A 34 1.309 -13.831 -0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.414 -13.840 1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.989 -13.015 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.490 -12.062 1.407 1.00 0.00 H new ATOM 493 N MET A 35 -1.352 -11.856 -0.943 1.00 0.00 N ATOM 494 CA MET A 35 -2.752 -11.759 -1.383 1.00 0.00 C ATOM 495 C MET A 35 -2.916 -11.887 -2.906 1.00 0.00 C ATOM 496 O MET A 35 -3.858 -12.531 -3.370 1.00 0.00 O ATOM 497 CB MET A 35 -3.370 -10.436 -0.898 1.00 0.00 C ATOM 498 CG MET A 35 -3.620 -10.440 0.617 1.00 0.00 C ATOM 499 SD MET A 35 -4.272 -8.884 1.290 1.00 0.00 S ATOM 500 CE MET A 35 -5.952 -8.894 0.601 1.00 0.00 C ATOM 0 H MET A 35 -0.980 -10.978 -0.580 1.00 0.00 H new ATOM 0 HA MET A 35 -3.278 -12.602 -0.936 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.706 -9.610 -1.154 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.311 -10.262 -1.420 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.320 -11.242 0.853 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.684 -10.674 1.124 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.512 -8.046 0.995 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.900 -8.821 -0.485 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.454 -9.821 0.879 1.00 0.00 H new ATOM 510 N LYS A 36 -2.008 -11.296 -3.700 1.00 0.00 N ATOM 511 CA LYS A 36 -1.995 -11.414 -5.174 1.00 0.00 C ATOM 512 C LYS A 36 -1.359 -12.720 -5.684 1.00 0.00 C ATOM 513 O LYS A 36 -1.491 -13.032 -6.868 1.00 0.00 O ATOM 514 CB LYS A 36 -1.299 -10.188 -5.799 1.00 0.00 C ATOM 515 CG LYS A 36 -1.898 -8.802 -5.478 1.00 0.00 C ATOM 516 CD LYS A 36 -3.396 -8.609 -5.777 1.00 0.00 C ATOM 517 CE LYS A 36 -4.286 -9.113 -4.628 1.00 0.00 C ATOM 518 NZ LYS A 36 -5.723 -8.809 -4.856 1.00 0.00 N ATOM 0 H LYS A 36 -1.252 -10.716 -3.336 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.037 -11.446 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.257 -10.189 -5.478 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.299 -10.314 -6.882 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.733 -8.597 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.340 -8.052 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.597 -7.552 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.653 -9.140 -6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.157 -10.190 -4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.963 -8.655 -3.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.292 -9.226 -4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.862 -7.778 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.022 -9.210 -5.768 1.00 0.00 H new ATOM 532 N LYS A 37 -0.669 -13.471 -4.811 1.00 0.00 N ATOM 533 CA LYS A 37 0.132 -14.683 -5.109 1.00 0.00 C ATOM 534 C LYS A 37 1.273 -14.453 -6.126 1.00 0.00 C ATOM 535 O LYS A 37 1.804 -15.407 -6.697 1.00 0.00 O ATOM 536 CB LYS A 37 -0.819 -15.847 -5.480 1.00 0.00 C ATOM 537 CG LYS A 37 -0.278 -17.258 -5.174 1.00 0.00 C ATOM 538 CD LYS A 37 -0.730 -17.833 -3.820 1.00 0.00 C ATOM 539 CE LYS A 37 -0.250 -17.002 -2.624 1.00 0.00 C ATOM 540 NZ LYS A 37 -0.640 -17.631 -1.334 1.00 0.00 N ATOM 0 H LYS A 37 -0.650 -13.240 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 37 0.672 -14.961 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.759 -15.712 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.046 -15.785 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.596 -17.935 -5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.811 -17.229 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.818 -17.891 -3.801 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.355 -18.852 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.834 -16.895 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.672 -15.999 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.301 -17.044 -0.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.676 -17.710 -1.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.217 -18.579 -1.268 1.00 0.00 H new ATOM 554 N LEU A 38 1.656 -13.192 -6.352 1.00 0.00 N ATOM 555 CA LEU A 38 2.580 -12.717 -7.394 1.00 0.00 C ATOM 556 C LEU A 38 3.670 -11.799 -6.783 1.00 0.00 C ATOM 557 O LEU A 38 3.414 -11.151 -5.764 1.00 0.00 O ATOM 558 CB LEU A 38 1.772 -11.977 -8.489 1.00 0.00 C ATOM 559 CG LEU A 38 1.542 -12.767 -9.796 1.00 0.00 C ATOM 560 CD1 LEU A 38 0.613 -13.970 -9.634 1.00 0.00 C ATOM 561 CD2 LEU A 38 0.921 -11.854 -10.855 1.00 0.00 C ATOM 0 H LEU A 38 1.308 -12.425 -5.777 1.00 0.00 H new ATOM 0 HA LEU A 38 3.089 -13.569 -7.845 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.801 -11.702 -8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.289 -11.049 -8.733 1.00 0.00 H new ATOM 0 HG LEU A 38 2.525 -13.132 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.500 -14.474 -10.594 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.038 -14.663 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.363 -13.632 -9.285 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.762 -12.418 -11.774 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.034 -11.474 -10.493 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.592 -11.019 -11.054 1.00 0.00 H new ATOM 573 N PRO A 39 4.877 -11.724 -7.381 1.00 0.00 N ATOM 574 CA PRO A 39 6.005 -10.938 -6.864 1.00 0.00 C ATOM 575 C PRO A 39 5.800 -9.406 -6.949 1.00 0.00 C ATOM 576 O PRO A 39 4.948 -8.926 -7.707 1.00 0.00 O ATOM 577 CB PRO A 39 7.216 -11.400 -7.688 1.00 0.00 C ATOM 578 CG PRO A 39 6.609 -11.837 -9.018 1.00 0.00 C ATOM 579 CD PRO A 39 5.275 -12.439 -8.588 1.00 0.00 C ATOM 0 HA PRO A 39 6.132 -11.112 -5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.938 -10.595 -7.824 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.742 -12.221 -7.200 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.475 -10.996 -9.699 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.237 -12.566 -9.531 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.526 -12.326 -9.372 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.374 -13.507 -8.393 1.00 0.00 H new ATOM 587 N PRO A 40 6.617 -8.605 -6.230 1.00 0.00 N ATOM 588 CA PRO A 40 6.538 -7.138 -6.257 1.00 0.00 C ATOM 589 C PRO A 40 6.965 -6.511 -7.600 1.00 0.00 C ATOM 590 O PRO A 40 6.710 -5.332 -7.845 1.00 0.00 O ATOM 591 CB PRO A 40 7.428 -6.667 -5.101 1.00 0.00 C ATOM 592 CG PRO A 40 8.471 -7.776 -4.979 1.00 0.00 C ATOM 593 CD PRO A 40 7.671 -9.032 -5.315 1.00 0.00 C ATOM 0 HA PRO A 40 5.503 -6.815 -6.145 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.890 -5.704 -5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.859 -6.548 -4.179 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.301 -7.628 -5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.896 -7.823 -3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.307 -9.787 -5.777 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.249 -9.478 -4.415 1.00 0.00 H new ATOM 601 N ASP A 41 7.588 -7.283 -8.500 1.00 0.00 N ATOM 602 CA ASP A 41 7.854 -6.867 -9.885 1.00 0.00 C ATOM 603 C ASP A 41 6.551 -6.688 -10.698 1.00 0.00 C ATOM 604 O ASP A 41 6.435 -5.766 -11.508 1.00 0.00 O ATOM 605 CB ASP A 41 8.758 -7.924 -10.542 1.00 0.00 C ATOM 606 CG ASP A 41 9.248 -7.527 -11.947 1.00 0.00 C ATOM 607 OD1 ASP A 41 9.588 -6.340 -12.174 1.00 0.00 O ATOM 608 OD2 ASP A 41 9.340 -8.422 -12.822 1.00 0.00 O ATOM 0 H ASP A 41 7.925 -8.222 -8.286 1.00 0.00 H new ATOM 0 HA ASP A 41 8.349 -5.896 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.622 -8.100 -9.901 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.213 -8.866 -10.609 1.00 0.00 H new ATOM 613 N THR A 42 5.554 -7.546 -10.456 1.00 0.00 N ATOM 614 CA THR A 42 4.233 -7.516 -11.115 1.00 0.00 C ATOM 615 C THR A 42 3.175 -6.677 -10.394 1.00 0.00 C ATOM 616 O THR A 42 2.215 -6.270 -11.043 1.00 0.00 O ATOM 617 CB THR A 42 3.684 -8.935 -11.350 1.00 0.00 C ATOM 618 OG1 THR A 42 4.005 -9.818 -10.297 1.00 0.00 O ATOM 619 CG2 THR A 42 4.258 -9.557 -12.621 1.00 0.00 C ATOM 0 H THR A 42 5.641 -8.303 -9.778 1.00 0.00 H new ATOM 0 HA THR A 42 4.424 -7.025 -12.069 1.00 0.00 H new ATOM 0 HB THR A 42 2.604 -8.810 -11.425 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.534 -10.565 -10.646 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.848 -10.558 -12.754 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.994 -8.940 -13.480 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.343 -9.618 -12.538 1.00 0.00 H new ATOM 627 N THR A 43 3.320 -6.365 -9.098 1.00 0.00 N ATOM 628 CA THR A 43 2.390 -5.474 -8.367 1.00 0.00 C ATOM 629 C THR A 43 3.140 -4.479 -7.477 1.00 0.00 C ATOM 630 O THR A 43 3.926 -4.882 -6.619 1.00 0.00 O ATOM 631 CB THR A 43 1.354 -6.264 -7.545 1.00 0.00 C ATOM 632 OG1 THR A 43 0.592 -7.103 -8.387 1.00 0.00 O ATOM 633 CG2 THR A 43 0.344 -5.355 -6.836 1.00 0.00 C ATOM 0 H THR A 43 4.083 -6.720 -8.522 1.00 0.00 H new ATOM 0 HA THR A 43 1.847 -4.908 -9.124 1.00 0.00 H new ATOM 0 HB THR A 43 1.932 -6.826 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.061 -7.599 -7.850 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.362 -5.965 -6.272 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.871 -4.687 -6.155 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.197 -4.765 -7.576 1.00 0.00 H new ATOM 641 N ARG A 44 2.873 -3.178 -7.662 1.00 0.00 N ATOM 642 CA ARG A 44 3.574 -2.051 -7.016 1.00 0.00 C ATOM 643 C ARG A 44 2.606 -1.101 -6.296 1.00 0.00 C ATOM 644 O ARG A 44 1.417 -1.048 -6.617 1.00 0.00 O ATOM 645 CB ARG A 44 4.436 -1.322 -8.071 1.00 0.00 C ATOM 646 CG ARG A 44 5.702 -0.684 -7.470 1.00 0.00 C ATOM 647 CD ARG A 44 6.441 0.231 -8.455 1.00 0.00 C ATOM 648 NE ARG A 44 6.951 -0.490 -9.639 1.00 0.00 N ATOM 649 CZ ARG A 44 7.578 0.048 -10.671 1.00 0.00 C ATOM 650 NH1 ARG A 44 7.834 1.325 -10.737 1.00 0.00 N ATOM 651 NH2 ARG A 44 7.963 -0.692 -11.670 1.00 0.00 N ATOM 0 H ARG A 44 2.133 -2.866 -8.291 1.00 0.00 H new ATOM 0 HA ARG A 44 4.229 -2.442 -6.237 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.725 -2.029 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.837 -0.548 -8.551 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.427 -0.109 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.377 -1.473 -7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.768 1.024 -8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.274 0.711 -7.942 1.00 0.00 H new ATOM 0 HE ARG A 44 6.806 -1.499 -9.663 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.548 1.942 -9.977 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.320 1.706 -11.549 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.782 -1.696 -11.661 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.446 -0.268 -12.462 1.00 0.00 H new ATOM 665 N LEU A 45 3.125 -0.346 -5.329 1.00 0.00 N ATOM 666 CA LEU A 45 2.384 0.524 -4.411 1.00 0.00 C ATOM 667 C LEU A 45 2.933 1.961 -4.437 1.00 0.00 C ATOM 668 O LEU A 45 4.150 2.156 -4.387 1.00 0.00 O ATOM 669 CB LEU A 45 2.496 -0.113 -3.013 1.00 0.00 C ATOM 670 CG LEU A 45 1.845 0.659 -1.853 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.339 0.831 -2.040 1.00 0.00 C ATOM 672 CD2 LEU A 45 2.072 -0.117 -0.559 1.00 0.00 C ATOM 0 H LEU A 45 4.130 -0.322 -5.154 1.00 0.00 H new ATOM 0 HA LEU A 45 1.338 0.606 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.050 -1.107 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.553 -0.247 -2.783 1.00 0.00 H new ATOM 0 HG LEU A 45 2.301 1.648 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.072 1.382 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.147 1.383 -2.960 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.135 -0.149 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.615 0.420 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.621 -1.106 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.142 -0.220 -0.380 1.00 0.00 H new ATOM 684 N THR A 46 2.047 2.961 -4.463 1.00 0.00 N ATOM 685 CA THR A 46 2.404 4.393 -4.425 1.00 0.00 C ATOM 686 C THR A 46 1.540 5.188 -3.440 1.00 0.00 C ATOM 687 O THR A 46 0.392 4.835 -3.157 1.00 0.00 O ATOM 688 CB THR A 46 2.361 5.047 -5.822 1.00 0.00 C ATOM 689 OG1 THR A 46 1.073 4.984 -6.399 1.00 0.00 O ATOM 690 CG2 THR A 46 3.334 4.406 -6.813 1.00 0.00 C ATOM 0 H THR A 46 1.041 2.801 -4.512 1.00 0.00 H new ATOM 0 HA THR A 46 3.434 4.427 -4.069 1.00 0.00 H new ATOM 0 HB THR A 46 2.650 6.083 -5.646 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.089 5.410 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.256 4.910 -7.777 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.352 4.500 -6.435 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.088 3.351 -6.934 1.00 0.00 H new ATOM 698 N TYR A 47 2.101 6.286 -2.928 1.00 0.00 N ATOM 699 CA TYR A 47 1.470 7.227 -1.995 1.00 0.00 C ATOM 700 C TYR A 47 2.081 8.630 -2.166 1.00 0.00 C ATOM 701 O TYR A 47 3.296 8.766 -2.312 1.00 0.00 O ATOM 702 CB TYR A 47 1.623 6.697 -0.557 1.00 0.00 C ATOM 703 CG TYR A 47 1.495 7.743 0.540 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.279 8.428 0.734 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.613 8.060 1.336 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.191 9.449 1.700 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.524 9.068 2.316 1.00 0.00 C ATOM 708 CZ TYR A 47 1.314 9.772 2.492 1.00 0.00 C ATOM 709 OH TYR A 47 1.227 10.780 3.404 1.00 0.00 O ATOM 0 H TYR A 47 3.055 6.558 -3.164 1.00 0.00 H new ATOM 0 HA TYR A 47 0.405 7.312 -2.210 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.871 5.926 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.597 6.217 -0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.586 8.170 0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.542 7.528 1.194 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.737 9.985 1.835 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.380 9.301 2.931 1.00 0.00 H new ATOM 0 HH TYR A 47 2.085 10.876 3.868 1.00 0.00 H new ATOM 719 N LYS A 48 1.240 9.676 -2.187 1.00 0.00 N ATOM 720 CA LYS A 48 1.629 11.097 -2.350 1.00 0.00 C ATOM 721 C LYS A 48 2.543 11.373 -3.568 1.00 0.00 C ATOM 722 O LYS A 48 3.438 12.219 -3.514 1.00 0.00 O ATOM 723 CB LYS A 48 2.202 11.630 -1.018 1.00 0.00 C ATOM 724 CG LYS A 48 1.984 13.148 -0.862 1.00 0.00 C ATOM 725 CD LYS A 48 2.965 13.804 0.120 1.00 0.00 C ATOM 726 CE LYS A 48 4.375 13.880 -0.485 1.00 0.00 C ATOM 727 NZ LYS A 48 5.306 14.645 0.386 1.00 0.00 N ATOM 0 H LYS A 48 0.232 9.557 -2.088 1.00 0.00 H new ATOM 0 HA LYS A 48 0.726 11.659 -2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.730 11.108 -0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.268 11.410 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.084 13.625 -1.837 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.964 13.329 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.618 14.806 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.993 13.233 1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.762 12.872 -0.634 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.325 14.351 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.248 14.675 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.950 15.614 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.373 14.181 1.314 1.00 0.00 H new ATOM 741 N GLY A 49 2.356 10.625 -4.659 1.00 0.00 N ATOM 742 CA GLY A 49 3.183 10.715 -5.874 1.00 0.00 C ATOM 743 C GLY A 49 4.610 10.160 -5.734 1.00 0.00 C ATOM 744 O GLY A 49 5.484 10.520 -6.528 1.00 0.00 O ATOM 0 H GLY A 49 1.615 9.928 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.679 10.180 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.244 11.760 -6.176 1.00 0.00 H new ATOM 748 N ARG A 50 4.870 9.314 -4.727 1.00 0.00 N ATOM 749 CA ARG A 50 6.154 8.645 -4.436 1.00 0.00 C ATOM 750 C ARG A 50 5.964 7.129 -4.254 1.00 0.00 C ATOM 751 O ARG A 50 4.861 6.662 -3.955 1.00 0.00 O ATOM 752 CB ARG A 50 6.767 9.239 -3.149 1.00 0.00 C ATOM 753 CG ARG A 50 7.149 10.729 -3.177 1.00 0.00 C ATOM 754 CD ARG A 50 8.344 11.061 -4.085 1.00 0.00 C ATOM 755 NE ARG A 50 7.916 11.538 -5.415 1.00 0.00 N ATOM 756 CZ ARG A 50 8.521 12.431 -6.177 1.00 0.00 C ATOM 757 NH1 ARG A 50 9.680 12.946 -5.870 1.00 0.00 N ATOM 758 NH2 ARG A 50 7.959 12.829 -7.280 1.00 0.00 N ATOM 0 H ARG A 50 4.149 9.061 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 50 6.822 8.810 -5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.058 9.087 -2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.661 8.665 -2.904 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.286 11.307 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.379 11.052 -2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.960 11.823 -3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.967 10.174 -4.202 1.00 0.00 H new ATOM 0 HE ARG A 50 7.057 11.133 -5.787 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.154 12.661 -5.013 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.112 13.633 -6.487 1.00 0.00 H new ATOM 0 HH21 ARG A 50 7.052 12.452 -7.555 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.425 13.519 -7.870 1.00 0.00 H new ATOM 772 N ALA A 51 7.051 6.369 -4.377 1.00 0.00 N ATOM 773 CA ALA A 51 7.151 5.001 -3.856 1.00 0.00 C ATOM 774 C ALA A 51 7.656 5.024 -2.399 1.00 0.00 C ATOM 775 O ALA A 51 8.644 5.699 -2.093 1.00 0.00 O ATOM 776 CB ALA A 51 8.079 4.190 -4.768 1.00 0.00 C ATOM 0 H ALA A 51 7.899 6.687 -4.846 1.00 0.00 H new ATOM 0 HA ALA A 51 6.170 4.526 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.161 3.171 -4.390 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.670 4.171 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.067 4.651 -4.785 1.00 0.00 H new ATOM 782 N LEU A 52 6.993 4.292 -1.496 1.00 0.00 N ATOM 783 CA LEU A 52 7.342 4.227 -0.070 1.00 0.00 C ATOM 784 C LEU A 52 8.207 2.980 0.218 1.00 0.00 C ATOM 785 O LEU A 52 7.722 1.851 0.093 1.00 0.00 O ATOM 786 CB LEU A 52 6.034 4.270 0.752 1.00 0.00 C ATOM 787 CG LEU A 52 6.228 4.659 2.230 1.00 0.00 C ATOM 788 CD1 LEU A 52 6.514 6.154 2.389 1.00 0.00 C ATOM 789 CD2 LEU A 52 4.971 4.337 3.038 1.00 0.00 C ATOM 0 H LEU A 52 6.185 3.718 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 52 7.951 5.082 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.350 4.981 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.557 3.291 0.705 1.00 0.00 H new ATOM 0 HG LEU A 52 7.079 4.085 2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.645 6.389 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.423 6.410 1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.678 6.729 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.126 4.618 4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.126 4.894 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.763 3.269 2.978 1.00 0.00 H new ATOM 801 N LYS A 53 9.485 3.171 0.581 1.00 0.00 N ATOM 802 CA LYS A 53 10.465 2.091 0.840 1.00 0.00 C ATOM 803 C LYS A 53 11.578 2.531 1.808 1.00 0.00 C ATOM 804 O LYS A 53 11.920 3.711 1.870 1.00 0.00 O ATOM 805 CB LYS A 53 11.033 1.589 -0.507 1.00 0.00 C ATOM 806 CG LYS A 53 11.772 0.244 -0.382 1.00 0.00 C ATOM 807 CD LYS A 53 12.206 -0.350 -1.732 1.00 0.00 C ATOM 808 CE LYS A 53 11.011 -0.773 -2.598 1.00 0.00 C ATOM 809 NZ LYS A 53 11.456 -1.447 -3.848 1.00 0.00 N ATOM 0 H LYS A 53 9.881 4.103 0.707 1.00 0.00 H new ATOM 0 HA LYS A 53 9.953 1.268 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.218 1.485 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.716 2.337 -0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.653 0.380 0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.125 -0.470 0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.802 0.384 -2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.847 -1.214 -1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.368 -1.445 -2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.413 0.103 -2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.625 -1.720 -4.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.049 -0.796 -4.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.005 -2.297 -3.608 1.00 0.00 H new ATOM 823 N ASP A 54 12.133 1.574 2.560 1.00 0.00 N ATOM 824 CA ASP A 54 13.207 1.742 3.559 1.00 0.00 C ATOM 825 C ASP A 54 12.906 2.770 4.679 1.00 0.00 C ATOM 826 O ASP A 54 13.803 3.427 5.213 1.00 0.00 O ATOM 827 CB ASP A 54 14.557 1.968 2.847 1.00 0.00 C ATOM 828 CG ASP A 54 15.794 1.710 3.733 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.722 0.913 4.700 1.00 0.00 O ATOM 830 OD2 ASP A 54 16.876 2.268 3.420 1.00 0.00 O ATOM 0 H ASP A 54 11.830 0.603 2.487 1.00 0.00 H new ATOM 0 HA ASP A 54 13.270 0.808 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.608 1.317 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.594 2.994 2.481 1.00 0.00 H new ATOM 835 N THR A 55 11.626 2.940 5.024 1.00 0.00 N ATOM 836 CA THR A 55 11.148 3.941 6.000 1.00 0.00 C ATOM 837 C THR A 55 11.135 3.451 7.453 1.00 0.00 C ATOM 838 O THR A 55 11.105 4.271 8.370 1.00 0.00 O ATOM 839 CB THR A 55 9.725 4.404 5.647 1.00 0.00 C ATOM 840 OG1 THR A 55 8.820 3.325 5.767 1.00 0.00 O ATOM 841 CG2 THR A 55 9.614 4.935 4.217 1.00 0.00 C ATOM 0 H THR A 55 10.873 2.377 4.628 1.00 0.00 H new ATOM 0 HA THR A 55 11.865 4.759 5.933 1.00 0.00 H new ATOM 0 HB THR A 55 9.487 5.208 6.343 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.916 3.630 5.542 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.588 5.247 4.023 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.282 5.787 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.893 4.150 3.515 1.00 0.00 H new ATOM 849 N GLU A 56 11.139 2.129 7.678 1.00 0.00 N ATOM 850 CA GLU A 56 10.785 1.444 8.936 1.00 0.00 C ATOM 851 C GLU A 56 9.358 1.743 9.441 1.00 0.00 C ATOM 852 O GLU A 56 8.536 0.829 9.471 1.00 0.00 O ATOM 853 CB GLU A 56 11.855 1.642 10.034 1.00 0.00 C ATOM 854 CG GLU A 56 12.913 0.529 10.029 1.00 0.00 C ATOM 855 CD GLU A 56 12.356 -0.818 10.538 1.00 0.00 C ATOM 856 OE1 GLU A 56 11.840 -0.880 11.681 1.00 0.00 O ATOM 857 OE2 GLU A 56 12.449 -1.831 9.803 1.00 0.00 O ATOM 0 H GLU A 56 11.404 1.469 6.947 1.00 0.00 H new ATOM 0 HA GLU A 56 10.775 0.383 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.345 2.605 9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.369 1.673 11.009 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.296 0.401 9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.755 0.829 10.653 1.00 0.00 H new ATOM 864 N THR A 57 9.041 2.986 9.815 1.00 0.00 N ATOM 865 CA THR A 57 7.729 3.405 10.351 1.00 0.00 C ATOM 866 C THR A 57 7.342 4.810 9.885 1.00 0.00 C ATOM 867 O THR A 57 8.198 5.675 9.677 1.00 0.00 O ATOM 868 CB THR A 57 7.682 3.370 11.891 1.00 0.00 C ATOM 869 OG1 THR A 57 8.644 4.237 12.453 1.00 0.00 O ATOM 870 CG2 THR A 57 7.887 1.981 12.497 1.00 0.00 C ATOM 0 H THR A 57 9.706 3.757 9.754 1.00 0.00 H new ATOM 0 HA THR A 57 7.015 2.681 9.958 1.00 0.00 H new ATOM 0 HB THR A 57 6.671 3.694 12.136 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.590 4.196 13.431 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.839 2.048 13.584 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.106 1.309 12.140 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.862 1.595 12.200 1.00 0.00 H new ATOM 878 N LEU A 58 6.035 5.066 9.754 1.00 0.00 N ATOM 879 CA LEU A 58 5.499 6.354 9.292 1.00 0.00 C ATOM 880 C LEU A 58 5.791 7.503 10.273 1.00 0.00 C ATOM 881 O LEU A 58 5.978 8.641 9.846 1.00 0.00 O ATOM 882 CB LEU A 58 3.977 6.234 9.053 1.00 0.00 C ATOM 883 CG LEU A 58 3.502 5.523 7.768 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.967 6.243 6.501 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.914 4.052 7.674 1.00 0.00 C ATOM 0 H LEU A 58 5.312 4.379 9.968 1.00 0.00 H new ATOM 0 HA LEU A 58 6.004 6.597 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.545 5.709 9.905 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.558 7.240 9.053 1.00 0.00 H new ATOM 0 HG LEU A 58 2.415 5.560 7.839 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.608 5.705 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.569 7.258 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.056 6.281 6.483 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.540 3.628 6.742 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.001 3.976 7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.494 3.502 8.516 1.00 0.00 H new ATOM 897 N GLU A 59 5.875 7.230 11.580 1.00 0.00 N ATOM 898 CA GLU A 59 6.122 8.262 12.602 1.00 0.00 C ATOM 899 C GLU A 59 7.532 8.876 12.518 1.00 0.00 C ATOM 900 O GLU A 59 7.719 10.024 12.925 1.00 0.00 O ATOM 901 CB GLU A 59 5.780 7.717 14.002 1.00 0.00 C ATOM 902 CG GLU A 59 6.824 6.771 14.622 1.00 0.00 C ATOM 903 CD GLU A 59 7.916 7.502 15.435 1.00 0.00 C ATOM 904 OE1 GLU A 59 7.581 8.320 16.328 1.00 0.00 O ATOM 905 OE2 GLU A 59 9.123 7.237 15.219 1.00 0.00 O ATOM 0 H GLU A 59 5.774 6.290 11.962 1.00 0.00 H new ATOM 0 HA GLU A 59 5.452 9.097 12.398 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.636 8.562 14.676 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.828 7.190 13.944 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.316 6.058 15.271 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.299 6.196 13.827 1.00 0.00 H new ATOM 912 N SER A 60 8.502 8.172 11.918 1.00 0.00 N ATOM 913 CA SER A 60 9.842 8.718 11.642 1.00 0.00 C ATOM 914 C SER A 60 9.834 9.805 10.551 1.00 0.00 C ATOM 915 O SER A 60 10.687 10.698 10.558 1.00 0.00 O ATOM 916 CB SER A 60 10.809 7.589 11.262 1.00 0.00 C ATOM 917 OG SER A 60 10.583 7.108 9.946 1.00 0.00 O ATOM 0 H SER A 60 8.381 7.207 11.609 1.00 0.00 H new ATOM 0 HA SER A 60 10.182 9.197 12.560 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.835 7.949 11.344 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.702 6.768 11.970 1.00 0.00 H new ATOM 0 HG SER A 60 9.728 6.629 9.915 1.00 0.00 H new ATOM 923 N LEU A 61 8.853 9.759 9.639 1.00 0.00 N ATOM 924 CA LEU A 61 8.607 10.749 8.580 1.00 0.00 C ATOM 925 C LEU A 61 7.508 11.773 8.948 1.00 0.00 C ATOM 926 O LEU A 61 7.276 12.729 8.204 1.00 0.00 O ATOM 927 CB LEU A 61 8.249 10.009 7.275 1.00 0.00 C ATOM 928 CG LEU A 61 9.255 8.937 6.806 1.00 0.00 C ATOM 929 CD1 LEU A 61 8.787 8.356 5.471 1.00 0.00 C ATOM 930 CD2 LEU A 61 10.668 9.492 6.608 1.00 0.00 C ATOM 0 H LEU A 61 8.178 8.995 9.618 1.00 0.00 H new ATOM 0 HA LEU A 61 9.521 11.328 8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.277 9.534 7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.139 10.747 6.481 1.00 0.00 H new ATOM 0 HG LEU A 61 9.294 8.179 7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.495 7.598 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.803 7.904 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.729 9.152 4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.330 8.692 6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.647 10.280 5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.034 9.900 7.550 1.00 0.00 H new ATOM 942 N GLY A 62 6.835 11.573 10.086 1.00 0.00 N ATOM 943 CA GLY A 62 5.647 12.308 10.530 1.00 0.00 C ATOM 944 C GLY A 62 4.343 11.665 10.036 1.00 0.00 C ATOM 945 O GLY A 62 4.068 11.628 8.832 1.00 0.00 O ATOM 0 H GLY A 62 7.119 10.858 10.756 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.637 12.353 11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.702 13.335 10.169 1.00 0.00 H new ATOM 949 N VAL A 63 3.523 11.175 10.973 1.00 0.00 N ATOM 950 CA VAL A 63 2.177 10.624 10.710 1.00 0.00 C ATOM 951 C VAL A 63 1.139 11.715 10.408 1.00 0.00 C ATOM 952 O VAL A 63 1.247 12.853 10.876 1.00 0.00 O ATOM 953 CB VAL A 63 1.664 9.742 11.874 1.00 0.00 C ATOM 954 CG1 VAL A 63 2.286 8.345 11.818 1.00 0.00 C ATOM 955 CG2 VAL A 63 1.903 10.347 13.265 1.00 0.00 C ATOM 0 H VAL A 63 3.778 11.147 11.960 1.00 0.00 H new ATOM 0 HA VAL A 63 2.294 10.003 9.822 1.00 0.00 H new ATOM 0 HB VAL A 63 0.585 9.681 11.732 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.909 7.745 12.647 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.022 7.867 10.875 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.370 8.426 11.893 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.516 9.671 14.027 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.972 10.494 13.419 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.391 11.306 13.337 1.00 0.00 H new ATOM 965 N ALA A 64 0.096 11.336 9.670 1.00 0.00 N ATOM 966 CA ALA A 64 -1.116 12.117 9.416 1.00 0.00 C ATOM 967 C ALA A 64 -2.336 11.180 9.262 1.00 0.00 C ATOM 968 O ALA A 64 -2.183 9.979 9.014 1.00 0.00 O ATOM 969 CB ALA A 64 -0.900 12.996 8.176 1.00 0.00 C ATOM 0 H ALA A 64 0.072 10.427 9.208 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.323 12.771 10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.800 13.580 7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.061 13.670 8.349 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.686 12.364 7.315 1.00 0.00 H new ATOM 975 N ASP A 65 -3.551 11.707 9.432 1.00 0.00 N ATOM 976 CA ASP A 65 -4.803 10.954 9.253 1.00 0.00 C ATOM 977 C ASP A 65 -5.374 11.090 7.828 1.00 0.00 C ATOM 978 O ASP A 65 -5.255 12.151 7.202 1.00 0.00 O ATOM 979 CB ASP A 65 -5.833 11.394 10.309 1.00 0.00 C ATOM 980 CG ASP A 65 -6.983 10.388 10.458 1.00 0.00 C ATOM 981 OD1 ASP A 65 -6.706 9.165 10.421 1.00 0.00 O ATOM 982 OD2 ASP A 65 -8.145 10.819 10.645 1.00 0.00 O ATOM 0 H ASP A 65 -3.699 12.680 9.701 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.577 9.897 9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.334 11.517 11.270 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.239 12.368 10.034 1.00 0.00 H new ATOM 987 N GLY A 66 -6.037 10.045 7.322 1.00 0.00 N ATOM 988 CA GLY A 66 -6.709 10.064 6.016 1.00 0.00 C ATOM 989 C GLY A 66 -5.774 9.986 4.803 1.00 0.00 C ATOM 990 O GLY A 66 -6.091 10.552 3.754 1.00 0.00 O ATOM 0 H GLY A 66 -6.124 9.154 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.407 9.228 5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.300 10.977 5.942 1.00 0.00 H new ATOM 994 N ASP A 67 -4.624 9.316 4.923 1.00 0.00 N ATOM 995 CA ASP A 67 -3.717 9.048 3.792 1.00 0.00 C ATOM 996 C ASP A 67 -4.362 8.116 2.746 1.00 0.00 C ATOM 997 O ASP A 67 -5.157 7.240 3.101 1.00 0.00 O ATOM 998 CB ASP A 67 -2.387 8.448 4.285 1.00 0.00 C ATOM 999 CG ASP A 67 -1.576 9.352 5.237 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.813 10.582 5.290 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.672 8.814 5.920 1.00 0.00 O ATOM 0 H ASP A 67 -4.290 8.940 5.811 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.517 10.005 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.597 7.507 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.769 8.212 3.419 1.00 0.00 H new ATOM 1006 N LYS A 68 -4.013 8.280 1.460 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.553 7.481 0.341 1.00 0.00 C ATOM 1008 C LYS A 68 -3.443 6.743 -0.410 1.00 0.00 C ATOM 1009 O LYS A 68 -2.623 7.364 -1.089 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.389 8.342 -0.627 1.00 0.00 C ATOM 1011 CG LYS A 68 -6.581 9.068 0.022 1.00 0.00 C ATOM 1012 CD LYS A 68 -6.262 10.523 0.388 1.00 0.00 C ATOM 1013 CE LYS A 68 -7.490 11.178 1.030 1.00 0.00 C ATOM 1014 NZ LYS A 68 -7.169 12.530 1.553 1.00 0.00 N ATOM 0 H LYS A 68 -3.337 8.982 1.160 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.217 6.735 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.736 9.084 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.762 7.704 -1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.429 9.048 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.883 8.530 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.418 10.558 1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.968 11.076 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.292 11.251 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.857 10.550 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.045 13.081 1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.709 12.443 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.527 13.014 0.893 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.431 5.419 -0.299 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.523 4.520 -1.019 1.00 0.00 C ATOM 1030 C PHE A 69 -3.165 4.002 -2.314 1.00 0.00 C ATOM 1031 O PHE A 69 -4.364 3.724 -2.349 1.00 0.00 O ATOM 1032 CB PHE A 69 -2.126 3.369 -0.085 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.147 3.776 1.003 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -1.604 4.408 2.179 1.00 0.00 C ATOM 1035 CD2 PHE A 69 0.232 3.549 0.828 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.684 4.821 3.160 1.00 0.00 C ATOM 1037 CE2 PHE A 69 1.150 3.953 1.814 1.00 0.00 C ATOM 1038 CZ PHE A 69 0.692 4.596 2.977 1.00 0.00 C ATOM 0 H PHE A 69 -4.074 4.920 0.316 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.627 5.066 -1.314 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.025 2.964 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.685 2.568 -0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.661 4.575 2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.586 3.062 -0.068 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.035 5.312 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.206 3.769 1.678 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.397 4.917 3.730 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.371 3.827 -3.373 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.822 3.307 -4.679 1.00 0.00 C ATOM 1050 C VAL A 70 -1.992 2.082 -5.059 1.00 0.00 C ATOM 1051 O VAL A 70 -0.761 2.135 -5.029 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.757 4.390 -5.776 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -3.301 3.870 -7.114 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.564 5.639 -5.396 1.00 0.00 C ATOM 0 H VAL A 70 -1.375 4.045 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.867 3.011 -4.591 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.703 4.649 -5.875 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.240 4.659 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.709 3.014 -7.439 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.341 3.567 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.491 6.376 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.609 5.366 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.166 6.063 -4.474 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.659 0.977 -5.406 1.00 0.00 N ATOM 1065 CA LEU A 71 -2.018 -0.304 -5.719 1.00 0.00 C ATOM 1066 C LEU A 71 -2.246 -0.688 -7.188 1.00 0.00 C ATOM 1067 O LEU A 71 -3.390 -0.793 -7.635 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.526 -1.374 -4.733 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.724 -2.682 -4.790 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -0.419 -2.529 -4.015 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -2.524 -3.832 -4.179 1.00 0.00 C ATOM 0 H LEU A 71 -3.676 0.947 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.938 -0.221 -5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.484 -0.974 -3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.573 -1.588 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.513 -2.903 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.143 -3.462 -4.061 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.173 -1.726 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.640 -2.289 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.938 -4.750 -4.229 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.752 -3.604 -3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.453 -3.964 -4.734 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.157 -0.906 -7.928 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.142 -1.098 -9.384 1.00 0.00 C ATOM 1085 C ILE A 72 -0.571 -2.480 -9.717 1.00 0.00 C ATOM 1086 O ILE A 72 0.559 -2.790 -9.337 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.328 0.025 -10.075 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.804 1.448 -9.688 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.407 -0.134 -11.606 1.00 0.00 C ATOM 1090 CD1 ILE A 72 0.032 2.076 -8.562 1.00 0.00 C ATOM 0 H ILE A 72 -0.225 -0.956 -7.516 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.163 -1.044 -9.761 1.00 0.00 H new ATOM 0 HB ILE A 72 0.700 -0.080 -9.729 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.761 2.091 -10.567 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.848 1.404 -9.377 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.168 0.659 -12.084 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.003 -1.102 -11.893 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.447 -0.071 -11.925 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.351 3.071 -8.337 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.032 1.452 -7.670 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.072 2.150 -8.879 1.00 0.00 H new ATOM 1102 N THR A 73 -1.329 -3.301 -10.448 1.00 0.00 N ATOM 1103 CA THR A 73 -0.898 -4.630 -10.918 1.00 0.00 C ATOM 1104 C THR A 73 -0.719 -4.664 -12.440 1.00 0.00 C ATOM 1105 O THR A 73 -1.491 -4.053 -13.186 1.00 0.00 O ATOM 1106 CB THR A 73 -1.839 -5.733 -10.402 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.266 -7.000 -10.626 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.222 -5.744 -11.058 1.00 0.00 C ATOM 0 H THR A 73 -2.277 -3.061 -10.738 1.00 0.00 H new ATOM 0 HA THR A 73 0.086 -4.833 -10.495 1.00 0.00 H new ATOM 0 HB THR A 73 -1.971 -5.515 -9.342 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.609 -7.191 -9.924 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.819 -6.552 -10.635 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.719 -4.792 -10.875 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.114 -5.896 -12.132 1.00 0.00 H new ATOM 1116 N ARG A 74 0.315 -5.367 -12.914 1.00 0.00 N ATOM 1117 CA ARG A 74 0.611 -5.599 -14.334 1.00 0.00 C ATOM 1118 C ARG A 74 -0.236 -6.754 -14.876 1.00 0.00 C ATOM 1119 O ARG A 74 -0.146 -7.881 -14.384 1.00 0.00 O ATOM 1120 CB ARG A 74 2.111 -5.913 -14.509 1.00 0.00 C ATOM 1121 CG ARG A 74 3.071 -4.747 -14.202 1.00 0.00 C ATOM 1122 CD ARG A 74 3.305 -3.795 -15.387 1.00 0.00 C ATOM 1123 NE ARG A 74 2.130 -2.959 -15.717 1.00 0.00 N ATOM 1124 CZ ARG A 74 1.791 -1.805 -15.170 1.00 0.00 C ATOM 1125 NH1 ARG A 74 2.468 -1.269 -14.194 1.00 0.00 N ATOM 1126 NH2 ARG A 74 0.751 -1.153 -15.605 1.00 0.00 N ATOM 0 H ARG A 74 0.996 -5.808 -12.296 1.00 0.00 H new ATOM 0 HA ARG A 74 0.366 -4.698 -14.896 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.367 -6.752 -13.862 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.279 -6.239 -15.535 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.674 -4.175 -13.364 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.030 -5.155 -13.883 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.150 -3.145 -15.159 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.581 -4.381 -16.264 1.00 0.00 H new ATOM 0 HE ARG A 74 1.513 -3.313 -16.448 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.293 -1.742 -13.825 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.173 -0.376 -13.799 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.195 -1.533 -16.371 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.493 -0.262 -15.180 1.00 0.00 H new