USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 523 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 NoAdj-H: A 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HE2 : A 58 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot 180:sc= 0.0281 USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.259 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 35:sc= 0.808 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= -0.0435 (180deg=-0.705) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.24! C(o=-2.2!,f=-2.7!) USER MOD Single : A 30 MET CE :methyl 157:sc= -2.46! (180deg=-3.68!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -8:sc= 1.09 USER MOD Single : A 46 ASN : amide:sc= -4.63 K(o=-4.6,f=-5.3!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -2.08! K(o=-2.1!,f=-0.09) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -137:sc= 0.102 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 31:sc= 0.666 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.862 27.171 -6.406 1.00 0.00 N ATOM 2 CA GLY A 1 29.781 26.364 -5.624 1.00 0.00 C ATOM 3 C GLY A 1 30.266 27.081 -4.380 1.00 0.00 C ATOM 4 O GLY A 1 30.714 28.226 -4.449 1.00 0.00 O ATOM 0 H1 GLY A 1 28.559 26.637 -7.246 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.031 27.409 -5.828 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.337 28.046 -6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.289 25.435 -5.336 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.638 26.093 -6.241 1.00 0.00 H new ATOM 8 N SER A 2 30.176 26.407 -3.238 1.00 0.00 N ATOM 9 CA SER A 2 30.605 26.989 -1.971 1.00 0.00 C ATOM 10 C SER A 2 30.836 25.903 -0.925 1.00 0.00 C ATOM 11 O SER A 2 30.228 24.834 -0.979 1.00 0.00 O ATOM 12 CB SER A 2 29.562 27.987 -1.465 1.00 0.00 C ATOM 13 OG SER A 2 28.446 27.318 -0.904 1.00 0.00 O ATOM 0 H SER A 2 29.810 25.458 -3.164 1.00 0.00 H new ATOM 0 HA SER A 2 31.546 27.512 -2.140 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.012 28.640 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.233 28.623 -2.287 1.00 0.00 H new ATOM 0 HG SER A 2 27.795 27.978 -0.586 1.00 0.00 H new ATOM 19 N SER A 3 31.719 26.185 0.027 1.00 0.00 N ATOM 20 CA SER A 3 32.035 25.232 1.085 1.00 0.00 C ATOM 21 C SER A 3 30.982 25.276 2.188 1.00 0.00 C ATOM 22 O SER A 3 30.621 24.248 2.759 1.00 0.00 O ATOM 23 CB SER A 3 33.417 25.528 1.671 1.00 0.00 C ATOM 24 OG SER A 3 33.584 26.914 1.909 1.00 0.00 O ATOM 0 H SER A 3 32.229 27.066 0.088 1.00 0.00 H new ATOM 0 HA SER A 3 32.039 24.232 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 3 33.546 24.978 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 3 34.189 25.178 0.985 1.00 0.00 H new ATOM 0 HG SER A 3 34.474 27.076 2.285 1.00 0.00 H new ATOM 30 N GLY A 4 30.492 26.477 2.482 1.00 0.00 N ATOM 31 CA GLY A 4 29.485 26.634 3.515 1.00 0.00 C ATOM 32 C GLY A 4 29.873 25.952 4.812 1.00 0.00 C ATOM 33 O GLY A 4 29.542 24.787 5.032 1.00 0.00 O ATOM 0 H GLY A 4 30.774 27.343 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.322 27.696 3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.539 26.224 3.161 1.00 0.00 H new ATOM 37 N SER A 5 30.580 26.678 5.672 1.00 0.00 N ATOM 38 CA SER A 5 31.019 26.134 6.952 1.00 0.00 C ATOM 39 C SER A 5 30.507 26.987 8.109 1.00 0.00 C ATOM 40 O SER A 5 30.961 28.113 8.314 1.00 0.00 O ATOM 41 CB SER A 5 32.546 26.055 6.999 1.00 0.00 C ATOM 42 OG SER A 5 33.017 24.894 6.335 1.00 0.00 O ATOM 0 H SER A 5 30.861 27.644 5.506 1.00 0.00 H new ATOM 0 HA SER A 5 30.607 25.130 7.053 1.00 0.00 H new ATOM 0 HB2 SER A 5 32.974 26.943 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 5 32.881 26.046 8.036 1.00 0.00 H new ATOM 0 HG SER A 5 33.996 24.867 6.377 1.00 0.00 H new ATOM 48 N SER A 6 29.558 26.441 8.863 1.00 0.00 N ATOM 49 CA SER A 6 28.981 27.152 9.998 1.00 0.00 C ATOM 50 C SER A 6 28.565 26.177 11.095 1.00 0.00 C ATOM 51 O SER A 6 28.459 24.973 10.864 1.00 0.00 O ATOM 52 CB SER A 6 27.773 27.977 9.549 1.00 0.00 C ATOM 53 OG SER A 6 27.556 29.077 10.416 1.00 0.00 O ATOM 0 H SER A 6 29.173 25.509 8.709 1.00 0.00 H new ATOM 0 HA SER A 6 29.741 27.822 10.400 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.932 28.337 8.533 1.00 0.00 H new ATOM 0 HB3 SER A 6 26.885 27.346 9.528 1.00 0.00 H new ATOM 0 HG SER A 6 26.780 29.589 10.107 1.00 0.00 H new ATOM 59 N GLY A 7 28.333 26.707 12.293 1.00 0.00 N ATOM 60 CA GLY A 7 27.932 25.871 13.409 1.00 0.00 C ATOM 61 C GLY A 7 26.769 24.961 13.064 1.00 0.00 C ATOM 62 O GLY A 7 25.896 25.309 12.269 1.00 0.00 O ATOM 0 H GLY A 7 28.416 27.700 12.510 1.00 0.00 H new ATOM 0 HA2 GLY A 7 28.780 25.266 13.729 1.00 0.00 H new ATOM 0 HA3 GLY A 7 27.656 26.504 14.252 1.00 0.00 H new ATOM 66 N PRO A 8 26.749 23.765 13.670 1.00 0.00 N ATOM 67 CA PRO A 8 27.784 23.339 14.617 1.00 0.00 C ATOM 68 C PRO A 8 29.123 23.081 13.936 1.00 0.00 C ATOM 69 O PRO A 8 29.172 22.683 12.772 1.00 0.00 O ATOM 70 CB PRO A 8 27.220 22.040 15.198 1.00 0.00 C ATOM 71 CG PRO A 8 26.300 21.523 14.147 1.00 0.00 C ATOM 72 CD PRO A 8 25.715 22.734 13.476 1.00 0.00 C ATOM 0 HA PRO A 8 27.990 24.103 15.366 1.00 0.00 H new ATOM 0 HB2 PRO A 8 28.014 21.326 15.415 1.00 0.00 H new ATOM 0 HB3 PRO A 8 26.690 22.222 16.133 1.00 0.00 H new ATOM 0 HG2 PRO A 8 26.836 20.901 13.431 1.00 0.00 H new ATOM 0 HG3 PRO A 8 25.517 20.903 14.584 1.00 0.00 H new ATOM 0 HD2 PRO A 8 25.521 22.553 12.419 1.00 0.00 H new ATOM 0 HD3 PRO A 8 24.767 23.025 13.928 1.00 0.00 H new ATOM 80 N SER A 9 30.209 23.310 14.668 1.00 0.00 N ATOM 81 CA SER A 9 31.549 23.106 14.132 1.00 0.00 C ATOM 82 C SER A 9 31.933 21.630 14.178 1.00 0.00 C ATOM 83 O SER A 9 32.646 21.135 13.305 1.00 0.00 O ATOM 84 CB SER A 9 32.567 23.933 14.919 1.00 0.00 C ATOM 85 OG SER A 9 32.759 23.404 16.220 1.00 0.00 O ATOM 0 H SER A 9 30.186 23.637 15.634 1.00 0.00 H new ATOM 0 HA SER A 9 31.551 23.433 13.092 1.00 0.00 H new ATOM 0 HB2 SER A 9 33.517 23.949 14.386 1.00 0.00 H new ATOM 0 HB3 SER A 9 32.224 24.965 14.990 1.00 0.00 H new ATOM 0 HG SER A 9 33.415 23.950 16.701 1.00 0.00 H new ATOM 91 N SER A 10 31.454 20.931 15.202 1.00 0.00 N ATOM 92 CA SER A 10 31.749 19.513 15.365 1.00 0.00 C ATOM 93 C SER A 10 30.739 18.657 14.605 1.00 0.00 C ATOM 94 O SER A 10 29.529 18.840 14.739 1.00 0.00 O ATOM 95 CB SER A 10 31.741 19.135 16.847 1.00 0.00 C ATOM 96 OG SER A 10 31.897 17.737 17.019 1.00 0.00 O ATOM 0 H SER A 10 30.859 21.324 15.932 1.00 0.00 H new ATOM 0 HA SER A 10 32.741 19.325 14.955 1.00 0.00 H new ATOM 0 HB2 SER A 10 32.545 19.660 17.363 1.00 0.00 H new ATOM 0 HB3 SER A 10 30.805 19.458 17.303 1.00 0.00 H new ATOM 0 HG SER A 10 31.890 17.522 17.975 1.00 0.00 H new ATOM 102 N SER A 11 31.246 17.722 13.808 1.00 0.00 N ATOM 103 CA SER A 11 30.390 16.840 13.024 1.00 0.00 C ATOM 104 C SER A 11 30.967 15.429 12.971 1.00 0.00 C ATOM 105 O SER A 11 32.130 15.236 12.616 1.00 0.00 O ATOM 106 CB SER A 11 30.221 17.388 11.605 1.00 0.00 C ATOM 107 OG SER A 11 29.669 18.693 11.625 1.00 0.00 O ATOM 0 H SER A 11 32.245 17.556 13.688 1.00 0.00 H new ATOM 0 HA SER A 11 29.414 16.797 13.508 1.00 0.00 H new ATOM 0 HB2 SER A 11 31.187 17.406 11.101 1.00 0.00 H new ATOM 0 HB3 SER A 11 29.574 16.725 11.030 1.00 0.00 H new ATOM 0 HG SER A 11 29.572 19.021 10.707 1.00 0.00 H new ATOM 113 N GLN A 12 30.146 14.447 13.327 1.00 0.00 N ATOM 114 CA GLN A 12 30.574 13.053 13.321 1.00 0.00 C ATOM 115 C GLN A 12 29.522 12.163 12.669 1.00 0.00 C ATOM 116 O GLN A 12 29.237 11.066 13.151 1.00 0.00 O ATOM 117 CB GLN A 12 30.850 12.576 14.748 1.00 0.00 C ATOM 118 CG GLN A 12 29.650 12.702 15.674 1.00 0.00 C ATOM 119 CD GLN A 12 29.663 11.675 16.789 1.00 0.00 C ATOM 120 OE1 GLN A 12 30.568 11.660 17.624 1.00 0.00 O ATOM 121 NE2 GLN A 12 28.657 10.809 16.809 1.00 0.00 N ATOM 0 H GLN A 12 29.181 14.591 13.623 1.00 0.00 H new ATOM 0 HA GLN A 12 31.493 12.984 12.738 1.00 0.00 H new ATOM 0 HB2 GLN A 12 31.168 11.534 14.719 1.00 0.00 H new ATOM 0 HB3 GLN A 12 31.679 13.151 15.161 1.00 0.00 H new ATOM 0 HG2 GLN A 12 29.633 13.702 16.107 1.00 0.00 H new ATOM 0 HG3 GLN A 12 28.734 12.591 15.093 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.928 10.858 16.097 1.00 0.00 H new ATOM 0 HE22 GLN A 12 28.613 10.095 17.536 1.00 0.00 H new ATOM 130 N SER A 13 28.946 12.642 11.571 1.00 0.00 N ATOM 131 CA SER A 13 27.921 11.891 10.855 1.00 0.00 C ATOM 132 C SER A 13 27.998 12.161 9.356 1.00 0.00 C ATOM 133 O SER A 13 27.674 13.254 8.894 1.00 0.00 O ATOM 134 CB SER A 13 26.531 12.256 11.380 1.00 0.00 C ATOM 135 OG SER A 13 26.255 13.632 11.179 1.00 0.00 O ATOM 0 H SER A 13 29.172 13.547 11.158 1.00 0.00 H new ATOM 0 HA SER A 13 28.098 10.829 11.025 1.00 0.00 H new ATOM 0 HB2 SER A 13 25.778 11.653 10.873 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.467 12.020 12.442 1.00 0.00 H new ATOM 0 HG SER A 13 26.671 13.930 10.343 1.00 0.00 H new ATOM 141 N GLU A 14 28.430 11.155 8.601 1.00 0.00 N ATOM 142 CA GLU A 14 28.551 11.284 7.154 1.00 0.00 C ATOM 143 C GLU A 14 28.934 9.950 6.519 1.00 0.00 C ATOM 144 O GLU A 14 29.935 9.339 6.892 1.00 0.00 O ATOM 145 CB GLU A 14 29.592 12.348 6.799 1.00 0.00 C ATOM 146 CG GLU A 14 29.377 12.979 5.434 1.00 0.00 C ATOM 147 CD GLU A 14 30.414 14.037 5.110 1.00 0.00 C ATOM 148 OE1 GLU A 14 30.213 15.205 5.501 1.00 0.00 O ATOM 149 OE2 GLU A 14 31.427 13.695 4.465 1.00 0.00 O ATOM 0 H GLU A 14 28.702 10.243 8.968 1.00 0.00 H new ATOM 0 HA GLU A 14 27.582 11.589 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 14 29.573 13.130 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 14 30.584 11.898 6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 14 29.405 12.202 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.384 13.426 5.397 1.00 0.00 H new ATOM 156 N GLU A 15 28.130 9.506 5.558 1.00 0.00 N ATOM 157 CA GLU A 15 28.385 8.244 4.873 1.00 0.00 C ATOM 158 C GLU A 15 27.450 8.076 3.678 1.00 0.00 C ATOM 159 O GLU A 15 26.301 8.517 3.707 1.00 0.00 O ATOM 160 CB GLU A 15 28.212 7.070 5.838 1.00 0.00 C ATOM 161 CG GLU A 15 26.816 6.966 6.428 1.00 0.00 C ATOM 162 CD GLU A 15 25.849 6.240 5.513 1.00 0.00 C ATOM 163 OE1 GLU A 15 26.200 5.143 5.030 1.00 0.00 O ATOM 164 OE2 GLU A 15 24.742 6.768 5.280 1.00 0.00 O ATOM 0 H GLU A 15 27.298 10.001 5.237 1.00 0.00 H new ATOM 0 HA GLU A 15 29.413 8.258 4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.446 6.143 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.933 7.168 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.867 6.444 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.436 7.967 6.631 1.00 0.00 H new ATOM 171 N LYS A 16 27.951 7.435 2.628 1.00 0.00 N ATOM 172 CA LYS A 16 27.163 7.207 1.422 1.00 0.00 C ATOM 173 C LYS A 16 25.902 6.409 1.740 1.00 0.00 C ATOM 174 O LYS A 16 25.950 5.422 2.472 1.00 0.00 O ATOM 175 CB LYS A 16 27.998 6.466 0.375 1.00 0.00 C ATOM 176 CG LYS A 16 27.359 6.437 -1.003 1.00 0.00 C ATOM 177 CD LYS A 16 27.394 7.806 -1.663 1.00 0.00 C ATOM 178 CE LYS A 16 28.717 8.047 -2.373 1.00 0.00 C ATOM 179 NZ LYS A 16 28.758 7.388 -3.708 1.00 0.00 N ATOM 0 H LYS A 16 28.900 7.064 2.587 1.00 0.00 H new ATOM 0 HA LYS A 16 26.867 8.177 1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.977 6.939 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.163 5.442 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 16 27.881 5.715 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.326 6.099 -0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.576 7.888 -2.378 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.238 8.579 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS A 16 28.875 9.119 -2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 16 29.534 7.671 -1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 29.676 7.576 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 28.632 6.362 -3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 27.995 7.765 -4.305 1.00 0.00 H new ATOM 193 N ALA A 17 24.777 6.844 1.183 1.00 0.00 N ATOM 194 CA ALA A 17 23.504 6.168 1.404 1.00 0.00 C ATOM 195 C ALA A 17 22.707 6.062 0.108 1.00 0.00 C ATOM 196 O ALA A 17 22.809 6.906 -0.783 1.00 0.00 O ATOM 197 CB ALA A 17 22.696 6.899 2.466 1.00 0.00 C ATOM 0 H ALA A 17 24.721 7.661 0.575 1.00 0.00 H new ATOM 0 HA ALA A 17 23.713 5.157 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 17 21.748 6.384 2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.256 6.917 3.401 1.00 0.00 H new ATOM 0 HB3 ALA A 17 22.504 7.921 2.138 1.00 0.00 H new ATOM 203 N PRO A 18 21.893 5.002 -0.001 1.00 0.00 N ATOM 204 CA PRO A 18 21.062 4.761 -1.184 1.00 0.00 C ATOM 205 C PRO A 18 19.925 5.770 -1.310 1.00 0.00 C ATOM 206 O PRO A 18 19.248 6.079 -0.330 1.00 0.00 O ATOM 207 CB PRO A 18 20.505 3.355 -0.946 1.00 0.00 C ATOM 208 CG PRO A 18 20.526 3.185 0.534 1.00 0.00 C ATOM 209 CD PRO A 18 21.721 3.957 1.022 1.00 0.00 C ATOM 0 HA PRO A 18 21.632 4.858 -2.108 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.494 3.258 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 18 21.115 2.599 -1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.607 3.562 0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 18 20.604 2.132 0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 18 21.547 4.386 2.009 1.00 0.00 H new ATOM 0 HD3 PRO A 18 22.604 3.323 1.101 1.00 0.00 H new ATOM 217 N GLU A 19 19.722 6.278 -2.521 1.00 0.00 N ATOM 218 CA GLU A 19 18.667 7.252 -2.773 1.00 0.00 C ATOM 219 C GLU A 19 17.419 6.925 -1.959 1.00 0.00 C ATOM 220 O GLU A 19 17.202 5.778 -1.567 1.00 0.00 O ATOM 221 CB GLU A 19 18.322 7.289 -4.264 1.00 0.00 C ATOM 222 CG GLU A 19 19.289 8.117 -5.092 1.00 0.00 C ATOM 223 CD GLU A 19 19.333 9.570 -4.660 1.00 0.00 C ATOM 224 OE1 GLU A 19 18.255 10.145 -4.403 1.00 0.00 O ATOM 225 OE2 GLU A 19 20.446 10.131 -4.580 1.00 0.00 O ATOM 0 H GLU A 19 20.274 6.031 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 19 19.032 8.232 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 19 18.307 6.270 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 19 17.316 7.691 -4.386 1.00 0.00 H new ATOM 0 HG2 GLU A 19 20.288 7.688 -5.013 1.00 0.00 H new ATOM 0 HG3 GLU A 19 19.001 8.063 -6.142 1.00 0.00 H new ATOM 232 N LEU A 20 16.602 7.942 -1.706 1.00 0.00 N ATOM 233 CA LEU A 20 15.375 7.764 -0.937 1.00 0.00 C ATOM 234 C LEU A 20 14.578 6.569 -1.451 1.00 0.00 C ATOM 235 O LEU A 20 14.660 6.195 -2.621 1.00 0.00 O ATOM 236 CB LEU A 20 14.519 9.030 -1.006 1.00 0.00 C ATOM 237 CG LEU A 20 13.682 9.206 -2.274 1.00 0.00 C ATOM 238 CD1 LEU A 20 14.553 9.061 -3.513 1.00 0.00 C ATOM 239 CD2 LEU A 20 12.539 8.202 -2.303 1.00 0.00 C ATOM 0 H LEU A 20 16.767 8.898 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 20 15.650 7.574 0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.847 9.038 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.175 9.894 -0.905 1.00 0.00 H new ATOM 0 HG LEU A 20 13.257 10.210 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.940 9.189 -4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 20 15.336 9.819 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 20 15.008 8.070 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.954 8.342 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.943 7.190 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.899 8.354 -1.434 1.00 0.00 H new ATOM 251 N PRO A 21 13.787 5.957 -0.558 1.00 0.00 N ATOM 252 CA PRO A 21 12.958 4.797 -0.899 1.00 0.00 C ATOM 253 C PRO A 21 11.799 5.164 -1.821 1.00 0.00 C ATOM 254 O PRO A 21 10.819 5.773 -1.392 1.00 0.00 O ATOM 255 CB PRO A 21 12.432 4.325 0.459 1.00 0.00 C ATOM 256 CG PRO A 21 12.461 5.541 1.319 1.00 0.00 C ATOM 257 CD PRO A 21 13.640 6.350 0.853 1.00 0.00 C ATOM 0 HA PRO A 21 13.522 4.038 -1.440 1.00 0.00 H new ATOM 0 HB2 PRO A 21 11.422 3.924 0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.056 3.533 0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 21 11.536 6.109 1.223 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.563 5.273 2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.459 7.420 0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.537 6.122 1.429 1.00 0.00 H new ATOM 265 N LYS A 22 11.917 4.788 -3.090 1.00 0.00 N ATOM 266 CA LYS A 22 10.880 5.075 -4.073 1.00 0.00 C ATOM 267 C LYS A 22 9.509 4.646 -3.559 1.00 0.00 C ATOM 268 O LYS A 22 9.387 3.773 -2.699 1.00 0.00 O ATOM 269 CB LYS A 22 11.187 4.362 -5.392 1.00 0.00 C ATOM 270 CG LYS A 22 12.256 5.052 -6.221 1.00 0.00 C ATOM 271 CD LYS A 22 12.047 4.817 -7.708 1.00 0.00 C ATOM 272 CE LYS A 22 12.722 3.534 -8.170 1.00 0.00 C ATOM 273 NZ LYS A 22 12.813 3.459 -9.654 1.00 0.00 N ATOM 0 H LYS A 22 12.722 4.283 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 22 10.865 6.151 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.507 3.342 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.272 4.293 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.243 6.122 -6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.239 4.683 -5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.980 4.766 -7.923 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.445 5.662 -8.270 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.722 3.475 -7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.164 2.675 -7.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.279 2.571 -9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.857 3.489 -10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.367 4.264 -10.009 1.00 0.00 H new ATOM 287 N PRO A 23 8.452 5.273 -4.096 1.00 0.00 N ATOM 288 CA PRO A 23 7.071 4.971 -3.707 1.00 0.00 C ATOM 289 C PRO A 23 6.622 3.594 -4.185 1.00 0.00 C ATOM 290 O PRO A 23 5.619 3.058 -3.714 1.00 0.00 O ATOM 291 CB PRO A 23 6.260 6.069 -4.400 1.00 0.00 C ATOM 292 CG PRO A 23 7.093 6.479 -5.564 1.00 0.00 C ATOM 293 CD PRO A 23 8.523 6.324 -5.125 1.00 0.00 C ATOM 0 HA PRO A 23 6.947 4.950 -2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.286 5.699 -4.721 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.077 6.908 -3.729 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.882 5.856 -6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.882 7.509 -5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.168 6.032 -5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.923 7.255 -4.722 1.00 0.00 H new ATOM 301 N LYS A 24 7.371 3.026 -5.124 1.00 0.00 N ATOM 302 CA LYS A 24 7.052 1.710 -5.666 1.00 0.00 C ATOM 303 C LYS A 24 8.283 0.809 -5.667 1.00 0.00 C ATOM 304 O LYS A 24 8.238 -0.321 -5.180 1.00 0.00 O ATOM 305 CB LYS A 24 6.501 1.841 -7.087 1.00 0.00 C ATOM 306 CG LYS A 24 7.284 2.811 -7.956 1.00 0.00 C ATOM 307 CD LYS A 24 6.387 3.498 -8.972 1.00 0.00 C ATOM 308 CE LYS A 24 6.314 2.713 -10.272 1.00 0.00 C ATOM 309 NZ LYS A 24 5.579 1.429 -10.105 1.00 0.00 N ATOM 0 H LYS A 24 8.204 3.457 -5.526 1.00 0.00 H new ATOM 0 HA LYS A 24 6.292 1.257 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.503 0.859 -7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.463 2.168 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.762 3.561 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.079 2.276 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.385 3.611 -8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.764 4.501 -9.172 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.821 3.317 -11.034 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.323 2.510 -10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.241 1.100 -11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.215 0.716 -9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.767 1.574 -9.472 1.00 0.00 H new ATOM 323 N LYS A 25 9.381 1.317 -6.215 1.00 0.00 N ATOM 324 CA LYS A 25 10.626 0.559 -6.278 1.00 0.00 C ATOM 325 C LYS A 25 10.372 -0.865 -6.759 1.00 0.00 C ATOM 326 O LYS A 25 10.964 -1.817 -6.251 1.00 0.00 O ATOM 327 CB LYS A 25 11.300 0.532 -4.904 1.00 0.00 C ATOM 328 CG LYS A 25 12.783 0.213 -4.960 1.00 0.00 C ATOM 329 CD LYS A 25 13.597 1.419 -5.398 1.00 0.00 C ATOM 330 CE LYS A 25 15.021 1.028 -5.763 1.00 0.00 C ATOM 331 NZ LYS A 25 15.859 0.792 -4.555 1.00 0.00 N ATOM 0 H LYS A 25 9.435 2.251 -6.622 1.00 0.00 H new ATOM 0 HA LYS A 25 11.287 1.052 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.163 1.500 -4.423 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.801 -0.208 -4.278 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.122 -0.119 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.953 -0.612 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.117 1.891 -6.255 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.615 2.157 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.004 0.126 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.470 1.816 -6.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.822 0.528 -4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 15.896 1.660 -3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.445 0.023 -3.990 1.00 0.00 H new ATOM 345 N ASN A 26 9.490 -1.004 -7.744 1.00 0.00 N ATOM 346 CA ASN A 26 9.159 -2.314 -8.294 1.00 0.00 C ATOM 347 C ASN A 26 9.071 -3.362 -7.190 1.00 0.00 C ATOM 348 O ASN A 26 9.596 -4.467 -7.325 1.00 0.00 O ATOM 349 CB ASN A 26 10.206 -2.734 -9.329 1.00 0.00 C ATOM 350 CG ASN A 26 11.623 -2.472 -8.857 1.00 0.00 C ATOM 351 OD1 ASN A 26 12.149 -1.371 -9.016 1.00 0.00 O ATOM 352 ND2 ASN A 26 12.248 -3.488 -8.272 1.00 0.00 N ATOM 0 H ASN A 26 8.992 -0.226 -8.177 1.00 0.00 H new ATOM 0 HA ASN A 26 8.186 -2.241 -8.779 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.090 -3.795 -9.549 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.030 -2.194 -10.259 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.203 -3.372 -7.933 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.773 -4.384 -8.161 1.00 0.00 H new ATOM 359 N ARG A 27 8.402 -3.007 -6.097 1.00 0.00 N ATOM 360 CA ARG A 27 8.245 -3.917 -4.969 1.00 0.00 C ATOM 361 C ARG A 27 6.802 -3.923 -4.473 1.00 0.00 C ATOM 362 O ARG A 27 6.118 -2.900 -4.506 1.00 0.00 O ATOM 363 CB ARG A 27 9.185 -3.518 -3.830 1.00 0.00 C ATOM 364 CG ARG A 27 10.538 -4.209 -3.887 1.00 0.00 C ATOM 365 CD ARG A 27 11.291 -4.069 -2.573 1.00 0.00 C ATOM 366 NE ARG A 27 12.738 -4.052 -2.771 1.00 0.00 N ATOM 367 CZ ARG A 27 13.611 -3.847 -1.791 1.00 0.00 C ATOM 368 NH1 ARG A 27 13.186 -3.643 -0.552 1.00 0.00 N ATOM 369 NH2 ARG A 27 14.912 -3.845 -2.050 1.00 0.00 N ATOM 0 H ARG A 27 7.961 -2.096 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 27 8.500 -4.922 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.336 -2.439 -3.856 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.708 -3.750 -2.878 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.399 -5.265 -4.117 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.132 -3.782 -4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.982 -3.150 -2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.025 -4.895 -1.913 1.00 0.00 H new ATOM 0 HE ARG A 27 13.098 -4.206 -3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.186 -3.643 -0.349 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.859 -3.486 0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.243 -4.001 -3.002 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.582 -3.687 -1.297 1.00 0.00 H new ATOM 383 N CYS A 28 6.344 -5.083 -4.013 1.00 0.00 N ATOM 384 CA CYS A 28 4.983 -5.224 -3.511 1.00 0.00 C ATOM 385 C CYS A 28 4.643 -4.099 -2.538 1.00 0.00 C ATOM 386 O CYS A 28 5.521 -3.559 -1.865 1.00 0.00 O ATOM 387 CB CYS A 28 4.809 -6.579 -2.821 1.00 0.00 C ATOM 388 SG CYS A 28 3.076 -7.023 -2.481 1.00 0.00 S ATOM 0 H CYS A 28 6.897 -5.940 -3.978 1.00 0.00 H new ATOM 0 HA CYS A 28 4.302 -5.166 -4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.255 -7.353 -3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.362 -6.570 -1.881 1.00 0.00 H new ATOM 393 N PHE A 29 3.362 -3.750 -2.470 1.00 0.00 N ATOM 394 CA PHE A 29 2.905 -2.688 -1.581 1.00 0.00 C ATOM 395 C PHE A 29 2.271 -3.270 -0.321 1.00 0.00 C ATOM 396 O PHE A 29 1.787 -2.535 0.539 1.00 0.00 O ATOM 397 CB PHE A 29 1.901 -1.787 -2.302 1.00 0.00 C ATOM 398 CG PHE A 29 0.722 -1.405 -1.454 1.00 0.00 C ATOM 399 CD1 PHE A 29 -0.191 -2.362 -1.042 1.00 0.00 C ATOM 400 CD2 PHE A 29 0.526 -0.088 -1.069 1.00 0.00 C ATOM 401 CE1 PHE A 29 -1.277 -2.014 -0.261 1.00 0.00 C ATOM 402 CE2 PHE A 29 -0.558 0.266 -0.288 1.00 0.00 C ATOM 403 CZ PHE A 29 -1.461 -0.698 0.115 1.00 0.00 C ATOM 0 H PHE A 29 2.622 -4.187 -3.020 1.00 0.00 H new ATOM 0 HA PHE A 29 3.771 -2.094 -1.290 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.410 -0.881 -2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.545 -2.297 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.053 -3.392 -1.335 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.228 0.670 -1.383 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.981 -2.770 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.699 1.295 0.007 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.310 -0.423 0.723 1.00 0.00 H new ATOM 413 N MET A 30 2.276 -4.595 -0.221 1.00 0.00 N ATOM 414 CA MET A 30 1.702 -5.276 0.934 1.00 0.00 C ATOM 415 C MET A 30 2.779 -6.017 1.720 1.00 0.00 C ATOM 416 O MET A 30 2.801 -5.979 2.951 1.00 0.00 O ATOM 417 CB MET A 30 0.616 -6.257 0.486 1.00 0.00 C ATOM 418 CG MET A 30 0.417 -7.421 1.443 1.00 0.00 C ATOM 419 SD MET A 30 0.174 -6.886 3.148 1.00 0.00 S ATOM 420 CE MET A 30 -1.590 -7.135 3.332 1.00 0.00 C ATOM 0 H MET A 30 2.671 -5.218 -0.925 1.00 0.00 H new ATOM 0 HA MET A 30 1.257 -4.523 1.584 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.326 -5.720 0.380 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.874 -6.647 -0.499 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.446 -8.005 1.123 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.284 -8.079 1.393 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.833 -7.250 4.388 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.123 -6.274 2.928 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.889 -8.033 2.791 1.00 0.00 H new ATOM 430 N CYS A 31 3.672 -6.690 1.002 1.00 0.00 N ATOM 431 CA CYS A 31 4.752 -7.440 1.631 1.00 0.00 C ATOM 432 C CYS A 31 6.100 -6.775 1.371 1.00 0.00 C ATOM 433 O CYS A 31 7.087 -7.063 2.047 1.00 0.00 O ATOM 434 CB CYS A 31 4.772 -8.879 1.112 1.00 0.00 C ATOM 435 SG CYS A 31 5.149 -9.023 -0.664 1.00 0.00 S ATOM 0 H CYS A 31 3.669 -6.731 -0.017 1.00 0.00 H new ATOM 0 HA CYS A 31 4.574 -7.451 2.706 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.511 -9.447 1.677 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.802 -9.337 1.305 1.00 0.00 H new ATOM 440 N ARG A 32 6.133 -5.884 0.385 1.00 0.00 N ATOM 441 CA ARG A 32 7.360 -5.178 0.034 1.00 0.00 C ATOM 442 C ARG A 32 8.418 -6.150 -0.480 1.00 0.00 C ATOM 443 O ARG A 32 9.537 -6.195 0.031 1.00 0.00 O ATOM 444 CB ARG A 32 7.899 -4.415 1.245 1.00 0.00 C ATOM 445 CG ARG A 32 6.990 -3.288 1.709 1.00 0.00 C ATOM 446 CD ARG A 32 5.991 -3.771 2.749 1.00 0.00 C ATOM 447 NE ARG A 32 6.532 -3.700 4.103 1.00 0.00 N ATOM 448 CZ ARG A 32 6.552 -2.588 4.829 1.00 0.00 C ATOM 449 NH1 ARG A 32 6.063 -1.460 4.333 1.00 0.00 N ATOM 450 NH2 ARG A 32 7.062 -2.603 6.054 1.00 0.00 N ATOM 0 H ARG A 32 5.325 -5.634 -0.185 1.00 0.00 H new ATOM 0 HA ARG A 32 7.127 -4.468 -0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.046 -5.114 2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.877 -4.003 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.593 -2.482 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.455 -2.875 0.854 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.085 -3.168 2.689 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.705 -4.799 2.527 1.00 0.00 H new ATOM 0 HE ARG A 32 6.916 -4.551 4.514 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.670 -1.445 3.392 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.080 -0.607 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.439 -3.469 6.439 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.077 -1.748 6.611 1.00 0.00 H new ATOM 464 N LYS A 33 8.056 -6.927 -1.496 1.00 0.00 N ATOM 465 CA LYS A 33 8.973 -7.898 -2.081 1.00 0.00 C ATOM 466 C LYS A 33 9.251 -7.570 -3.545 1.00 0.00 C ATOM 467 O LYS A 33 8.390 -7.040 -4.248 1.00 0.00 O ATOM 468 CB LYS A 33 8.395 -9.310 -1.965 1.00 0.00 C ATOM 469 CG LYS A 33 9.133 -10.340 -2.802 1.00 0.00 C ATOM 470 CD LYS A 33 8.255 -11.542 -3.109 1.00 0.00 C ATOM 471 CE LYS A 33 8.402 -12.625 -2.051 1.00 0.00 C ATOM 472 NZ LYS A 33 9.482 -13.592 -2.394 1.00 0.00 N ATOM 0 H LYS A 33 7.134 -6.903 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 33 9.913 -7.850 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.419 -9.619 -0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.348 -9.291 -2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.464 -9.883 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.027 -10.667 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.213 -11.227 -3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.520 -11.948 -4.085 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.619 -12.164 -1.087 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.458 -13.158 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.551 -14.314 -1.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.262 -14.050 -3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.388 -13.087 -2.472 1.00 0.00 H new ATOM 486 N LYS A 34 10.458 -7.890 -3.999 1.00 0.00 N ATOM 487 CA LYS A 34 10.850 -7.632 -5.379 1.00 0.00 C ATOM 488 C LYS A 34 9.929 -8.362 -6.351 1.00 0.00 C ATOM 489 O LYS A 34 9.941 -9.591 -6.430 1.00 0.00 O ATOM 490 CB LYS A 34 12.299 -8.066 -5.610 1.00 0.00 C ATOM 491 CG LYS A 34 13.020 -7.243 -6.663 1.00 0.00 C ATOM 492 CD LYS A 34 12.575 -7.619 -8.066 1.00 0.00 C ATOM 493 CE LYS A 34 13.191 -8.937 -8.512 1.00 0.00 C ATOM 494 NZ LYS A 34 12.672 -9.370 -9.839 1.00 0.00 N ATOM 0 H LYS A 34 11.182 -8.329 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 34 10.765 -6.560 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.845 -7.995 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.312 -9.114 -5.908 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.829 -6.184 -6.492 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.096 -7.392 -6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.488 -7.696 -8.096 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.858 -6.830 -8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.275 -8.833 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.979 -9.707 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.115 -10.271 -10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.641 -9.494 -9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.897 -8.647 -10.552 1.00 0.00 H new ATOM 508 N VAL A 35 9.131 -7.599 -7.092 1.00 0.00 N ATOM 509 CA VAL A 35 8.206 -8.173 -8.061 1.00 0.00 C ATOM 510 C VAL A 35 8.631 -7.847 -9.488 1.00 0.00 C ATOM 511 O VAL A 35 8.404 -8.629 -10.409 1.00 0.00 O ATOM 512 CB VAL A 35 6.770 -7.664 -7.836 1.00 0.00 C ATOM 513 CG1 VAL A 35 6.386 -7.780 -6.368 1.00 0.00 C ATOM 514 CG2 VAL A 35 6.632 -6.229 -8.320 1.00 0.00 C ATOM 0 H VAL A 35 9.107 -6.581 -7.039 1.00 0.00 H new ATOM 0 HA VAL A 35 8.228 -9.253 -7.917 1.00 0.00 H new ATOM 0 HB VAL A 35 6.087 -8.286 -8.415 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.368 -7.416 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.444 -8.823 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.071 -7.184 -5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.611 -5.885 -8.153 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.324 -5.591 -7.770 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.862 -6.180 -9.384 1.00 0.00 H new ATOM 524 N GLY A 36 9.252 -6.684 -9.663 1.00 0.00 N ATOM 525 CA GLY A 36 9.700 -6.273 -10.981 1.00 0.00 C ATOM 526 C GLY A 36 8.681 -6.578 -12.061 1.00 0.00 C ATOM 527 O GLY A 36 7.660 -5.898 -12.171 1.00 0.00 O ATOM 0 H GLY A 36 9.453 -6.019 -8.916 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.908 -5.203 -10.973 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.637 -6.778 -11.217 1.00 0.00 H new ATOM 531 N LEU A 37 8.958 -7.601 -12.861 1.00 0.00 N ATOM 532 CA LEU A 37 8.058 -7.994 -13.940 1.00 0.00 C ATOM 533 C LEU A 37 6.847 -8.743 -13.393 1.00 0.00 C ATOM 534 O LEU A 37 5.750 -8.660 -13.946 1.00 0.00 O ATOM 535 CB LEU A 37 8.797 -8.868 -14.955 1.00 0.00 C ATOM 536 CG LEU A 37 9.707 -8.132 -15.939 1.00 0.00 C ATOM 537 CD1 LEU A 37 10.877 -9.013 -16.346 1.00 0.00 C ATOM 538 CD2 LEU A 37 8.919 -7.687 -17.163 1.00 0.00 C ATOM 0 H LEU A 37 9.798 -8.174 -12.783 1.00 0.00 H new ATOM 0 HA LEU A 37 7.709 -7.089 -14.436 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.399 -9.594 -14.409 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.058 -9.431 -15.526 1.00 0.00 H new ATOM 0 HG LEU A 37 10.103 -7.245 -15.445 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.513 -8.472 -17.046 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.456 -9.280 -15.462 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.502 -9.919 -16.822 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.582 -7.165 -17.853 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.494 -8.560 -17.659 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.116 -7.017 -16.855 1.00 0.00 H new ATOM 550 N THR A 38 7.053 -9.474 -12.302 1.00 0.00 N ATOM 551 CA THR A 38 5.978 -10.237 -11.679 1.00 0.00 C ATOM 552 C THR A 38 5.136 -9.355 -10.766 1.00 0.00 C ATOM 553 O THR A 38 4.627 -9.811 -9.743 1.00 0.00 O ATOM 554 CB THR A 38 6.530 -11.422 -10.864 1.00 0.00 C ATOM 555 OG1 THR A 38 7.372 -10.941 -9.811 1.00 0.00 O ATOM 556 CG2 THR A 38 7.315 -12.372 -11.755 1.00 0.00 C ATOM 0 H THR A 38 7.954 -9.554 -11.831 1.00 0.00 H new ATOM 0 HA THR A 38 5.353 -10.620 -12.486 1.00 0.00 H new ATOM 0 HB THR A 38 5.687 -11.965 -10.436 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.514 -9.978 -9.920 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.695 -13.201 -11.158 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.663 -12.758 -12.538 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.150 -11.839 -12.209 1.00 0.00 H new ATOM 564 N GLY A 39 4.991 -8.087 -11.142 1.00 0.00 N ATOM 565 CA GLY A 39 4.209 -7.161 -10.345 1.00 0.00 C ATOM 566 C GLY A 39 2.734 -7.201 -10.692 1.00 0.00 C ATOM 567 O GLY A 39 2.346 -7.746 -11.726 1.00 0.00 O ATOM 0 H GLY A 39 5.402 -7.685 -11.985 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.337 -7.397 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.587 -6.149 -10.494 1.00 0.00 H new ATOM 571 N PHE A 40 1.908 -6.623 -9.826 1.00 0.00 N ATOM 572 CA PHE A 40 0.466 -6.596 -10.046 1.00 0.00 C ATOM 573 C PHE A 40 -0.117 -5.239 -9.663 1.00 0.00 C ATOM 574 O PHE A 40 -0.030 -4.816 -8.510 1.00 0.00 O ATOM 575 CB PHE A 40 -0.214 -7.703 -9.237 1.00 0.00 C ATOM 576 CG PHE A 40 -1.360 -8.353 -9.957 1.00 0.00 C ATOM 577 CD1 PHE A 40 -2.634 -7.811 -9.893 1.00 0.00 C ATOM 578 CD2 PHE A 40 -1.164 -9.507 -10.699 1.00 0.00 C ATOM 579 CE1 PHE A 40 -3.690 -8.408 -10.555 1.00 0.00 C ATOM 580 CE2 PHE A 40 -2.217 -10.109 -11.363 1.00 0.00 C ATOM 581 CZ PHE A 40 -3.481 -9.558 -11.291 1.00 0.00 C ATOM 0 H PHE A 40 2.212 -6.167 -8.966 1.00 0.00 H new ATOM 0 HA PHE A 40 0.281 -6.764 -11.107 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.525 -8.464 -8.985 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.575 -7.286 -8.297 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.803 -6.912 -9.319 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.177 -9.941 -10.759 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.678 -7.976 -10.497 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.051 -11.009 -11.937 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.305 -10.026 -11.809 1.00 0.00 H new ATOM 591 N ASP A 41 -0.712 -4.562 -10.639 1.00 0.00 N ATOM 592 CA ASP A 41 -1.310 -3.252 -10.406 1.00 0.00 C ATOM 593 C ASP A 41 -2.783 -3.387 -10.031 1.00 0.00 C ATOM 594 O ASP A 41 -3.606 -3.806 -10.844 1.00 0.00 O ATOM 595 CB ASP A 41 -1.167 -2.374 -11.650 1.00 0.00 C ATOM 596 CG ASP A 41 0.264 -2.301 -12.146 1.00 0.00 C ATOM 597 OD1 ASP A 41 0.677 -3.207 -12.898 1.00 0.00 O ATOM 598 OD2 ASP A 41 0.971 -1.338 -11.780 1.00 0.00 O ATOM 0 H ASP A 41 -0.793 -4.898 -11.599 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.783 -2.781 -9.576 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.804 -2.766 -12.443 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.522 -1.368 -11.424 1.00 0.00 H new ATOM 603 N CYS A 42 -3.107 -3.030 -8.792 1.00 0.00 N ATOM 604 CA CYS A 42 -4.479 -3.113 -8.307 1.00 0.00 C ATOM 605 C CYS A 42 -5.262 -1.855 -8.674 1.00 0.00 C ATOM 606 O CYS A 42 -4.683 -0.844 -9.071 1.00 0.00 O ATOM 607 CB CYS A 42 -4.495 -3.312 -6.790 1.00 0.00 C ATOM 608 SG CYS A 42 -6.132 -3.736 -6.113 1.00 0.00 S ATOM 0 H CYS A 42 -2.438 -2.681 -8.106 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.956 -3.969 -8.784 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.791 -4.102 -6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.141 -2.399 -6.311 1.00 0.00 H new ATOM 613 N ARG A 43 -6.582 -1.926 -8.538 1.00 0.00 N ATOM 614 CA ARG A 43 -7.445 -0.795 -8.856 1.00 0.00 C ATOM 615 C ARG A 43 -7.213 0.356 -7.881 1.00 0.00 C ATOM 616 O ARG A 43 -7.354 1.526 -8.240 1.00 0.00 O ATOM 617 CB ARG A 43 -8.914 -1.220 -8.819 1.00 0.00 C ATOM 618 CG ARG A 43 -9.257 -2.313 -9.819 1.00 0.00 C ATOM 619 CD ARG A 43 -9.741 -1.730 -11.137 1.00 0.00 C ATOM 620 NE ARG A 43 -10.392 -2.735 -11.974 1.00 0.00 N ATOM 621 CZ ARG A 43 -11.236 -2.439 -12.956 1.00 0.00 C ATOM 622 NH1 ARG A 43 -11.530 -1.174 -13.223 1.00 0.00 N ATOM 623 NH2 ARG A 43 -11.788 -3.410 -13.673 1.00 0.00 N ATOM 0 H ARG A 43 -7.077 -2.755 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.198 -0.453 -9.861 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.158 -1.568 -7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.540 -0.350 -9.015 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.379 -2.935 -9.995 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.028 -2.961 -9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.439 -0.916 -10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.896 -1.302 -11.676 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.187 -3.718 -11.794 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.108 -0.425 -12.674 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -12.178 -0.949 -13.978 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.564 -4.384 -13.470 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.436 -3.182 -14.427 1.00 0.00 H new ATOM 637 N CYS A 44 -6.858 0.017 -6.647 1.00 0.00 N ATOM 638 CA CYS A 44 -6.608 1.020 -5.620 1.00 0.00 C ATOM 639 C CYS A 44 -5.363 1.839 -5.951 1.00 0.00 C ATOM 640 O CYS A 44 -5.013 2.774 -5.232 1.00 0.00 O ATOM 641 CB CYS A 44 -6.443 0.352 -4.253 1.00 0.00 C ATOM 642 SG CYS A 44 -4.974 -0.717 -4.120 1.00 0.00 S ATOM 0 H CYS A 44 -6.737 -0.946 -6.334 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.466 1.691 -5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.387 1.125 -3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.332 -0.242 -4.041 1.00 0.00 H new ATOM 647 N GLY A 45 -4.698 1.479 -7.045 1.00 0.00 N ATOM 648 CA GLY A 45 -3.500 2.190 -7.452 1.00 0.00 C ATOM 649 C GLY A 45 -2.276 1.759 -6.669 1.00 0.00 C ATOM 650 O GLY A 45 -1.493 2.595 -6.220 1.00 0.00 O ATOM 0 H GLY A 45 -4.967 0.708 -7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.325 2.022 -8.515 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.654 3.261 -7.319 1.00 0.00 H new ATOM 654 N ASN A 46 -2.111 0.451 -6.505 1.00 0.00 N ATOM 655 CA ASN A 46 -0.974 -0.089 -5.768 1.00 0.00 C ATOM 656 C ASN A 46 -0.329 -1.242 -6.532 1.00 0.00 C ATOM 657 O ASN A 46 -0.869 -1.718 -7.531 1.00 0.00 O ATOM 658 CB ASN A 46 -1.417 -0.565 -4.383 1.00 0.00 C ATOM 659 CG ASN A 46 -1.395 0.550 -3.355 1.00 0.00 C ATOM 660 OD1 ASN A 46 -0.481 1.374 -3.336 1.00 0.00 O ATOM 661 ND2 ASN A 46 -2.405 0.579 -2.493 1.00 0.00 N ATOM 0 H ASN A 46 -2.750 -0.255 -6.872 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.237 0.705 -5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.424 -0.976 -4.448 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.764 -1.373 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.444 1.305 -1.778 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.141 -0.125 -2.546 1.00 0.00 H new ATOM 668 N LEU A 47 0.828 -1.686 -6.054 1.00 0.00 N ATOM 669 CA LEU A 47 1.547 -2.784 -6.691 1.00 0.00 C ATOM 670 C LEU A 47 1.613 -3.999 -5.771 1.00 0.00 C ATOM 671 O LEU A 47 1.857 -3.869 -4.571 1.00 0.00 O ATOM 672 CB LEU A 47 2.961 -2.341 -7.072 1.00 0.00 C ATOM 673 CG LEU A 47 3.933 -3.457 -7.456 1.00 0.00 C ATOM 674 CD1 LEU A 47 3.497 -4.122 -8.753 1.00 0.00 C ATOM 675 CD2 LEU A 47 5.348 -2.911 -7.585 1.00 0.00 C ATOM 0 H LEU A 47 1.288 -1.303 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 47 1.005 -3.065 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.889 -1.645 -7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.386 -1.789 -6.233 1.00 0.00 H new ATOM 0 HG LEU A 47 3.925 -4.208 -6.666 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.201 -4.914 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.502 -4.548 -8.627 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.476 -3.381 -9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.026 -3.719 -7.859 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.372 -2.141 -8.356 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.661 -2.482 -6.633 1.00 0.00 H new ATOM 687 N PHE A 48 1.397 -5.179 -6.341 1.00 0.00 N ATOM 688 CA PHE A 48 1.432 -6.418 -5.572 1.00 0.00 C ATOM 689 C PHE A 48 2.181 -7.509 -6.332 1.00 0.00 C ATOM 690 O PHE A 48 2.242 -7.495 -7.562 1.00 0.00 O ATOM 691 CB PHE A 48 0.011 -6.887 -5.253 1.00 0.00 C ATOM 692 CG PHE A 48 -0.815 -5.855 -4.539 1.00 0.00 C ATOM 693 CD1 PHE A 48 -1.475 -4.865 -5.249 1.00 0.00 C ATOM 694 CD2 PHE A 48 -0.930 -5.875 -3.159 1.00 0.00 C ATOM 695 CE1 PHE A 48 -2.235 -3.914 -4.594 1.00 0.00 C ATOM 696 CE2 PHE A 48 -1.689 -4.927 -2.498 1.00 0.00 C ATOM 697 CZ PHE A 48 -2.343 -3.946 -3.217 1.00 0.00 C ATOM 0 H PHE A 48 1.196 -5.304 -7.333 1.00 0.00 H new ATOM 0 HA PHE A 48 1.960 -6.221 -4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.489 -7.162 -6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.063 -7.787 -4.640 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.395 -4.836 -6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.421 -6.640 -2.592 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.744 -3.147 -5.158 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.770 -4.954 -1.421 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.938 -3.205 -2.704 1.00 0.00 H new ATOM 707 N CYS A 49 2.751 -8.453 -5.591 1.00 0.00 N ATOM 708 CA CYS A 49 3.498 -9.551 -6.192 1.00 0.00 C ATOM 709 C CYS A 49 2.554 -10.645 -6.684 1.00 0.00 C ATOM 710 O CYS A 49 2.959 -11.793 -6.866 1.00 0.00 O ATOM 711 CB CYS A 49 4.490 -10.133 -5.184 1.00 0.00 C ATOM 712 SG CYS A 49 3.714 -10.810 -3.682 1.00 0.00 S ATOM 0 H CYS A 49 2.710 -8.480 -4.572 1.00 0.00 H new ATOM 0 HA CYS A 49 4.048 -9.158 -7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.065 -10.922 -5.670 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.197 -9.355 -4.896 1.00 0.00 H new ATOM 717 N GLY A 50 1.293 -10.280 -6.897 1.00 0.00 N ATOM 718 CA GLY A 50 0.312 -11.241 -7.365 1.00 0.00 C ATOM 719 C GLY A 50 -0.266 -12.075 -6.239 1.00 0.00 C ATOM 720 O GLY A 50 -1.423 -12.494 -6.296 1.00 0.00 O ATOM 0 H GLY A 50 0.934 -9.336 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.495 -10.713 -7.873 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.775 -11.899 -8.100 1.00 0.00 H new ATOM 724 N LEU A 51 0.541 -12.320 -5.212 1.00 0.00 N ATOM 725 CA LEU A 51 0.104 -13.112 -4.067 1.00 0.00 C ATOM 726 C LEU A 51 -0.853 -12.314 -3.187 1.00 0.00 C ATOM 727 O LEU A 51 -1.622 -12.884 -2.412 1.00 0.00 O ATOM 728 CB LEU A 51 1.311 -13.566 -3.246 1.00 0.00 C ATOM 729 CG LEU A 51 2.133 -14.712 -3.838 1.00 0.00 C ATOM 730 CD1 LEU A 51 3.182 -14.176 -4.799 1.00 0.00 C ATOM 731 CD2 LEU A 51 2.788 -15.526 -2.731 1.00 0.00 C ATOM 0 H LEU A 51 1.501 -11.982 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.423 -13.989 -4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.970 -12.710 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.961 -13.869 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 51 1.461 -15.366 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.757 -15.006 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.691 -13.638 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.851 -13.500 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.369 -16.337 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.447 -14.883 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.018 -15.942 -2.081 1.00 0.00 H new ATOM 743 N HIS A 52 -0.803 -10.992 -3.313 1.00 0.00 N ATOM 744 CA HIS A 52 -1.667 -10.116 -2.531 1.00 0.00 C ATOM 745 C HIS A 52 -2.586 -9.306 -3.441 1.00 0.00 C ATOM 746 O HIS A 52 -3.497 -8.624 -2.971 1.00 0.00 O ATOM 747 CB HIS A 52 -0.828 -9.174 -1.668 1.00 0.00 C ATOM 748 CG HIS A 52 0.023 -9.884 -0.660 1.00 0.00 C ATOM 749 ND1 HIS A 52 1.396 -9.971 -0.761 1.00 0.00 N ATOM 750 CD2 HIS A 52 -0.311 -10.542 0.474 1.00 0.00 C ATOM 751 CE1 HIS A 52 1.869 -10.653 0.266 1.00 0.00 C ATOM 752 NE2 HIS A 52 0.853 -11.011 1.032 1.00 0.00 N ATOM 0 H HIS A 52 -0.173 -10.504 -3.950 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.283 -10.739 -1.883 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.187 -8.575 -2.315 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.491 -8.482 -1.149 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.308 -10.674 0.867 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.909 -10.880 0.449 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.922 -11.548 1.896 1.00 0.00 H new ATOM 760 N ARG A 53 -2.341 -9.386 -4.745 1.00 0.00 N ATOM 761 CA ARG A 53 -3.145 -8.660 -5.720 1.00 0.00 C ATOM 762 C ARG A 53 -4.614 -8.643 -5.308 1.00 0.00 C ATOM 763 O ARG A 53 -5.247 -7.587 -5.271 1.00 0.00 O ATOM 764 CB ARG A 53 -3.000 -9.292 -7.105 1.00 0.00 C ATOM 765 CG ARG A 53 -3.568 -10.699 -7.195 1.00 0.00 C ATOM 766 CD ARG A 53 -3.115 -11.403 -8.464 1.00 0.00 C ATOM 767 NE ARG A 53 -3.979 -12.530 -8.804 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.236 -12.395 -9.212 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.772 -11.189 -9.331 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.960 -13.469 -9.502 1.00 0.00 N ATOM 0 H ARG A 53 -1.592 -9.947 -5.150 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.784 -7.632 -5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.501 -8.660 -7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.944 -9.318 -7.375 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.253 -11.276 -6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.657 -10.655 -7.171 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.106 -10.691 -9.290 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.092 -11.756 -8.337 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.597 -13.472 -8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.219 -10.361 -9.109 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.737 -11.089 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.551 -14.399 -9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.925 -13.364 -9.815 1.00 0.00 H new ATOM 784 N TYR A 54 -5.150 -9.818 -5.001 1.00 0.00 N ATOM 785 CA TYR A 54 -6.546 -9.939 -4.595 1.00 0.00 C ATOM 786 C TYR A 54 -6.949 -8.786 -3.680 1.00 0.00 C ATOM 787 O TYR A 54 -6.101 -8.150 -3.054 1.00 0.00 O ATOM 788 CB TYR A 54 -6.778 -11.274 -3.885 1.00 0.00 C ATOM 789 CG TYR A 54 -6.323 -12.473 -4.685 1.00 0.00 C ATOM 790 CD1 TYR A 54 -4.993 -12.873 -4.679 1.00 0.00 C ATOM 791 CD2 TYR A 54 -7.224 -13.207 -5.447 1.00 0.00 C ATOM 792 CE1 TYR A 54 -4.572 -13.967 -5.410 1.00 0.00 C ATOM 793 CE2 TYR A 54 -6.813 -14.303 -6.180 1.00 0.00 C ATOM 794 CZ TYR A 54 -5.486 -14.679 -6.158 1.00 0.00 C ATOM 795 OH TYR A 54 -5.072 -15.771 -6.886 1.00 0.00 O ATOM 0 H TYR A 54 -4.640 -10.701 -5.025 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.164 -9.900 -5.492 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.252 -11.264 -2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.840 -11.378 -3.663 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.275 -12.319 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.264 -12.915 -5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.533 -14.263 -5.396 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.526 -14.862 -6.767 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.839 -16.161 -7.356 1.00 0.00 H new ATOM 805 N SER A 55 -8.250 -8.524 -3.607 1.00 0.00 N ATOM 806 CA SER A 55 -8.767 -7.447 -2.772 1.00 0.00 C ATOM 807 C SER A 55 -8.922 -7.907 -1.326 1.00 0.00 C ATOM 808 O SER A 55 -8.818 -7.109 -0.394 1.00 0.00 O ATOM 809 CB SER A 55 -10.112 -6.957 -3.310 1.00 0.00 C ATOM 810 OG SER A 55 -10.912 -8.041 -3.749 1.00 0.00 O ATOM 0 H SER A 55 -8.965 -9.043 -4.116 1.00 0.00 H new ATOM 0 HA SER A 55 -8.052 -6.625 -2.799 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.639 -6.404 -2.532 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.946 -6.265 -4.136 1.00 0.00 H new ATOM 0 HG SER A 55 -11.767 -7.701 -4.087 1.00 0.00 H new ATOM 816 N ASP A 56 -9.170 -9.200 -1.147 1.00 0.00 N ATOM 817 CA ASP A 56 -9.339 -9.769 0.186 1.00 0.00 C ATOM 818 C ASP A 56 -8.023 -10.341 0.702 1.00 0.00 C ATOM 819 O ASP A 56 -8.007 -11.158 1.624 1.00 0.00 O ATOM 820 CB ASP A 56 -10.411 -10.859 0.166 1.00 0.00 C ATOM 821 CG ASP A 56 -11.812 -10.296 0.297 1.00 0.00 C ATOM 822 OD1 ASP A 56 -12.268 -9.614 -0.645 1.00 0.00 O ATOM 823 OD2 ASP A 56 -12.453 -10.536 1.341 1.00 0.00 O ATOM 0 H ASP A 56 -9.258 -9.874 -1.908 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.656 -8.972 0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.335 -11.422 -0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.227 -11.560 0.980 1.00 0.00 H new ATOM 828 N LYS A 57 -6.919 -9.908 0.103 1.00 0.00 N ATOM 829 CA LYS A 57 -5.597 -10.376 0.502 1.00 0.00 C ATOM 830 C LYS A 57 -4.806 -9.261 1.178 1.00 0.00 C ATOM 831 O LYS A 57 -4.134 -9.486 2.185 1.00 0.00 O ATOM 832 CB LYS A 57 -4.828 -10.895 -0.716 1.00 0.00 C ATOM 833 CG LYS A 57 -5.176 -12.325 -1.091 1.00 0.00 C ATOM 834 CD LYS A 57 -4.745 -13.305 -0.013 1.00 0.00 C ATOM 835 CE LYS A 57 -4.789 -14.740 -0.514 1.00 0.00 C ATOM 836 NZ LYS A 57 -6.169 -15.299 -0.474 1.00 0.00 N ATOM 0 H LYS A 57 -6.914 -9.233 -0.662 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.727 -11.189 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.031 -10.245 -1.567 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.759 -10.831 -0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.251 -12.409 -1.251 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.692 -12.583 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.734 -13.064 0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.396 -13.202 0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.410 -14.780 -1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.129 -15.358 0.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.157 -16.279 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.521 -15.285 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.794 -14.725 -1.075 1.00 0.00 H new ATOM 850 N HIS A 58 -4.891 -8.058 0.619 1.00 0.00 N ATOM 851 CA HIS A 58 -4.185 -6.907 1.171 1.00 0.00 C ATOM 852 C HIS A 58 -5.169 -5.866 1.697 1.00 0.00 C ATOM 853 O HIS A 58 -4.817 -4.701 1.877 1.00 0.00 O ATOM 854 CB HIS A 58 -3.281 -6.281 0.109 1.00 0.00 C ATOM 855 CG HIS A 58 -4.033 -5.584 -0.983 1.00 0.00 C ATOM 856 ND1 HIS A 58 -4.074 -6.046 -2.281 1.00 0.00 N ATOM 857 CD2 HIS A 58 -4.777 -4.453 -0.963 1.00 0.00 C ATOM 858 CE1 HIS A 58 -4.810 -5.229 -3.014 1.00 0.00 C ATOM 859 NE2 HIS A 58 -5.249 -4.254 -2.238 1.00 0.00 N ATOM 0 H HIS A 58 -5.441 -7.855 -0.215 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.571 -7.253 2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.610 -5.568 0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.657 -7.060 -0.330 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.609 -6.887 -2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.965 -3.824 -0.105 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.017 -5.340 -4.068 1.00 0.00 H new ATOM 867 N ASN A 59 -6.403 -6.295 1.939 1.00 0.00 N ATOM 868 CA ASN A 59 -7.438 -5.400 2.443 1.00 0.00 C ATOM 869 C ASN A 59 -7.618 -4.201 1.517 1.00 0.00 C ATOM 870 O ASN A 59 -7.605 -3.052 1.960 1.00 0.00 O ATOM 871 CB ASN A 59 -7.086 -4.921 3.853 1.00 0.00 C ATOM 872 CG ASN A 59 -6.802 -6.071 4.800 1.00 0.00 C ATOM 873 OD1 ASN A 59 -7.617 -6.395 5.663 1.00 0.00 O ATOM 874 ND2 ASN A 59 -5.639 -6.694 4.642 1.00 0.00 N ATOM 0 H ASN A 59 -6.711 -7.257 1.794 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.376 -5.954 2.479 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.214 -4.269 3.805 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.909 -4.324 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.392 -7.475 5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.993 -6.391 3.913 1.00 0.00 H new ATOM 881 N CYS A 60 -7.788 -4.476 0.228 1.00 0.00 N ATOM 882 CA CYS A 60 -7.971 -3.422 -0.762 1.00 0.00 C ATOM 883 C CYS A 60 -9.097 -2.478 -0.349 1.00 0.00 C ATOM 884 O CYS A 60 -10.245 -2.883 -0.168 1.00 0.00 O ATOM 885 CB CYS A 60 -8.276 -4.028 -2.133 1.00 0.00 C ATOM 886 SG CYS A 60 -8.248 -2.826 -3.501 1.00 0.00 S ATOM 0 H CYS A 60 -7.803 -5.421 -0.155 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.045 -2.851 -0.823 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.550 -4.815 -2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.258 -4.501 -2.099 1.00 0.00 H new ATOM 891 N PRO A 61 -8.761 -1.188 -0.197 1.00 0.00 N ATOM 892 CA PRO A 61 -9.728 -0.159 0.195 1.00 0.00 C ATOM 893 C PRO A 61 -10.742 0.133 -0.906 1.00 0.00 C ATOM 894 O PRO A 61 -11.893 0.473 -0.630 1.00 0.00 O ATOM 895 CB PRO A 61 -8.854 1.070 0.455 1.00 0.00 C ATOM 896 CG PRO A 61 -7.637 0.852 -0.376 1.00 0.00 C ATOM 897 CD PRO A 61 -7.411 -0.635 -0.398 1.00 0.00 C ATOM 0 HA PRO A 61 -10.322 -0.466 1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.368 1.988 0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.601 1.160 1.511 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.779 1.240 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.777 1.371 0.047 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.980 -0.962 -1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.727 -0.949 0.390 1.00 0.00 H new ATOM 905 N TYR A 62 -10.308 -0.002 -2.154 1.00 0.00 N ATOM 906 CA TYR A 62 -11.178 0.250 -3.297 1.00 0.00 C ATOM 907 C TYR A 62 -12.545 -0.398 -3.095 1.00 0.00 C ATOM 908 O TYR A 62 -12.755 -1.145 -2.139 1.00 0.00 O ATOM 909 CB TYR A 62 -10.536 -0.281 -4.580 1.00 0.00 C ATOM 910 CG TYR A 62 -10.603 0.691 -5.737 1.00 0.00 C ATOM 911 CD1 TYR A 62 -10.127 1.990 -5.607 1.00 0.00 C ATOM 912 CD2 TYR A 62 -11.142 0.310 -6.959 1.00 0.00 C ATOM 913 CE1 TYR A 62 -10.187 2.881 -6.661 1.00 0.00 C ATOM 914 CE2 TYR A 62 -11.205 1.194 -8.019 1.00 0.00 C ATOM 915 CZ TYR A 62 -10.726 2.478 -7.865 1.00 0.00 C ATOM 916 OH TYR A 62 -10.788 3.362 -8.918 1.00 0.00 O ATOM 0 H TYR A 62 -9.359 -0.284 -2.400 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.316 1.328 -3.385 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.492 -0.524 -4.381 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.030 -1.209 -4.867 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.703 2.308 -4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.518 -0.695 -7.083 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.814 3.888 -6.543 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.627 0.881 -8.963 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.194 2.920 -9.693 1.00 0.00 H new ATOM 926 N ASP A 63 -13.471 -0.106 -4.001 1.00 0.00 N ATOM 927 CA ASP A 63 -14.818 -0.659 -3.925 1.00 0.00 C ATOM 928 C ASP A 63 -15.268 -1.184 -5.285 1.00 0.00 C ATOM 929 O ASP A 63 -16.354 -1.748 -5.415 1.00 0.00 O ATOM 930 CB ASP A 63 -15.800 0.400 -3.422 1.00 0.00 C ATOM 931 CG ASP A 63 -15.362 1.808 -3.773 1.00 0.00 C ATOM 932 OD1 ASP A 63 -15.193 2.094 -4.977 1.00 0.00 O ATOM 933 OD2 ASP A 63 -15.190 2.625 -2.844 1.00 0.00 O ATOM 0 H ASP A 63 -13.313 0.511 -4.798 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.803 -1.492 -3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.784 0.211 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.901 0.313 -2.340 1.00 0.00 H new ATOM 938 N TYR A 64 -14.426 -0.992 -6.295 1.00 0.00 N ATOM 939 CA TYR A 64 -14.739 -1.443 -7.646 1.00 0.00 C ATOM 940 C TYR A 64 -15.562 -2.727 -7.615 1.00 0.00 C ATOM 941 O TYR A 64 -16.433 -2.940 -8.459 1.00 0.00 O ATOM 942 CB TYR A 64 -13.452 -1.668 -8.441 1.00 0.00 C ATOM 943 CG TYR A 64 -12.612 -2.813 -7.922 1.00 0.00 C ATOM 944 CD1 TYR A 64 -12.219 -2.865 -6.590 1.00 0.00 C ATOM 945 CD2 TYR A 64 -12.211 -3.844 -8.764 1.00 0.00 C ATOM 946 CE1 TYR A 64 -11.451 -3.909 -6.112 1.00 0.00 C ATOM 947 CE2 TYR A 64 -11.444 -4.892 -8.294 1.00 0.00 C ATOM 948 CZ TYR A 64 -11.066 -4.920 -6.967 1.00 0.00 C ATOM 949 OH TYR A 64 -10.302 -5.962 -6.494 1.00 0.00 O ATOM 0 H TYR A 64 -13.522 -0.528 -6.204 1.00 0.00 H new ATOM 0 HA TYR A 64 -15.329 -0.667 -8.134 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.707 -1.859 -9.483 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -12.858 -0.754 -8.421 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.519 -2.076 -5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.504 -3.825 -9.803 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.154 -3.933 -5.074 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.142 -5.685 -8.961 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.118 -6.590 -7.223 1.00 0.00 H new ATOM 959 N LYS A 65 -15.281 -3.579 -6.636 1.00 0.00 N ATOM 960 CA LYS A 65 -15.995 -4.842 -6.491 1.00 0.00 C ATOM 961 C LYS A 65 -17.491 -4.604 -6.315 1.00 0.00 C ATOM 962 O LYS A 65 -18.311 -5.209 -7.006 1.00 0.00 O ATOM 963 CB LYS A 65 -15.449 -5.627 -5.296 1.00 0.00 C ATOM 964 CG LYS A 65 -15.463 -4.842 -3.996 1.00 0.00 C ATOM 965 CD LYS A 65 -14.329 -5.266 -3.077 1.00 0.00 C ATOM 966 CE LYS A 65 -14.569 -6.652 -2.498 1.00 0.00 C ATOM 967 NZ LYS A 65 -13.859 -6.842 -1.203 1.00 0.00 N ATOM 0 H LYS A 65 -14.563 -3.418 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.841 -5.423 -7.400 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.038 -6.535 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.427 -5.938 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.379 -3.777 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.417 -4.990 -3.490 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.390 -5.259 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.227 -4.545 -2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.638 -6.804 -2.352 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.234 -7.406 -3.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.416 -7.783 -1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.125 -6.112 -1.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.539 -6.764 -0.420 1.00 0.00 H new ATOM 981 N ALA A 66 -17.840 -3.718 -5.388 1.00 0.00 N ATOM 982 CA ALA A 66 -19.237 -3.397 -5.125 1.00 0.00 C ATOM 983 C ALA A 66 -19.623 -2.064 -5.756 1.00 0.00 C ATOM 984 O ALA A 66 -20.413 -1.307 -5.194 1.00 0.00 O ATOM 985 CB ALA A 66 -19.498 -3.369 -3.626 1.00 0.00 C ATOM 0 H ALA A 66 -17.174 -3.210 -4.806 1.00 0.00 H new ATOM 0 HA ALA A 66 -19.854 -4.174 -5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -20.545 -3.128 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -19.271 -4.346 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -18.865 -2.613 -3.161 1.00 0.00 H new ATOM 991 N GLU A 67 -19.060 -1.784 -6.927 1.00 0.00 N ATOM 992 CA GLU A 67 -19.345 -0.540 -7.633 1.00 0.00 C ATOM 993 C GLU A 67 -20.097 -0.813 -8.933 1.00 0.00 C ATOM 994 O GLU A 67 -21.223 -0.352 -9.119 1.00 0.00 O ATOM 995 CB GLU A 67 -18.046 0.212 -7.931 1.00 0.00 C ATOM 996 CG GLU A 67 -17.544 1.044 -6.763 1.00 0.00 C ATOM 997 CD GLU A 67 -18.508 2.149 -6.376 1.00 0.00 C ATOM 998 OE1 GLU A 67 -18.590 3.151 -7.117 1.00 0.00 O ATOM 999 OE2 GLU A 67 -19.180 2.011 -5.332 1.00 0.00 O ATOM 0 H GLU A 67 -18.404 -2.401 -7.407 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.974 0.077 -6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -17.276 -0.507 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.202 0.864 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.378 0.394 -5.904 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.580 1.482 -7.022 1.00 0.00 H new ATOM 1006 N ALA A 68 -19.465 -1.564 -9.829 1.00 0.00 N ATOM 1007 CA ALA A 68 -20.074 -1.900 -11.110 1.00 0.00 C ATOM 1008 C ALA A 68 -20.627 -3.321 -11.100 1.00 0.00 C ATOM 1009 O ALA A 68 -20.015 -4.231 -10.542 1.00 0.00 O ATOM 1010 CB ALA A 68 -19.063 -1.733 -12.235 1.00 0.00 C ATOM 0 H ALA A 68 -18.531 -1.951 -9.691 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.906 -1.216 -11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -19.531 -1.987 -13.186 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -18.719 -0.699 -12.265 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -18.213 -2.393 -12.061 1.00 0.00 H new ATOM 1016 N SER A 69 -21.789 -3.503 -11.719 1.00 0.00 N ATOM 1017 CA SER A 69 -22.427 -4.813 -11.778 1.00 0.00 C ATOM 1018 C SER A 69 -22.336 -5.522 -10.430 1.00 0.00 C ATOM 1019 O SER A 69 -22.156 -6.737 -10.366 1.00 0.00 O ATOM 1020 CB SER A 69 -21.777 -5.673 -12.864 1.00 0.00 C ATOM 1021 OG SER A 69 -22.142 -5.222 -14.157 1.00 0.00 O ATOM 0 H SER A 69 -22.308 -2.760 -12.187 1.00 0.00 H new ATOM 0 HA SER A 69 -23.479 -4.666 -12.022 1.00 0.00 H new ATOM 0 HB2 SER A 69 -20.693 -5.642 -12.757 1.00 0.00 H new ATOM 0 HB3 SER A 69 -22.080 -6.713 -12.739 1.00 0.00 H new ATOM 0 HG SER A 69 -21.713 -5.786 -14.834 1.00 0.00 H new ATOM 1027 N GLY A 70 -22.461 -4.752 -9.353 1.00 0.00 N ATOM 1028 CA GLY A 70 -22.389 -5.322 -8.020 1.00 0.00 C ATOM 1029 C GLY A 70 -23.349 -4.657 -7.053 1.00 0.00 C ATOM 1030 O GLY A 70 -22.957 -3.840 -6.220 1.00 0.00 O ATOM 0 H GLY A 70 -22.611 -3.743 -9.380 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -22.610 -6.388 -8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -21.371 -5.226 -7.641 1.00 0.00 H new ATOM 1034 N PRO A 71 -24.639 -5.008 -7.159 1.00 0.00 N ATOM 1035 CA PRO A 71 -25.684 -4.450 -6.295 1.00 0.00 C ATOM 1036 C PRO A 71 -25.568 -4.938 -4.855 1.00 0.00 C ATOM 1037 O PRO A 71 -26.320 -4.507 -3.981 1.00 0.00 O ATOM 1038 CB PRO A 71 -26.980 -4.962 -6.930 1.00 0.00 C ATOM 1039 CG PRO A 71 -26.584 -6.206 -7.649 1.00 0.00 C ATOM 1040 CD PRO A 71 -25.177 -5.976 -8.129 1.00 0.00 C ATOM 0 HA PRO A 71 -25.624 -3.363 -6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -27.738 -5.166 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -27.403 -4.227 -7.615 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -26.635 -7.072 -6.988 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -27.254 -6.404 -8.485 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -24.599 -6.900 -8.137 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -25.159 -5.580 -9.144 1.00 0.00 H new ATOM 1048 N SER A 72 -24.620 -5.839 -4.615 1.00 0.00 N ATOM 1049 CA SER A 72 -24.408 -6.388 -3.281 1.00 0.00 C ATOM 1050 C SER A 72 -24.481 -5.291 -2.224 1.00 0.00 C ATOM 1051 O SER A 72 -23.562 -4.483 -2.087 1.00 0.00 O ATOM 1052 CB SER A 72 -23.052 -7.094 -3.207 1.00 0.00 C ATOM 1053 OG SER A 72 -21.996 -6.204 -3.523 1.00 0.00 O ATOM 0 H SER A 72 -23.987 -6.204 -5.327 1.00 0.00 H new ATOM 0 HA SER A 72 -25.198 -7.112 -3.083 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.903 -7.499 -2.206 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.040 -7.938 -3.897 1.00 0.00 H new ATOM 0 HG SER A 72 -22.241 -5.295 -3.250 1.00 0.00 H new ATOM 1059 N SER A 73 -25.581 -5.268 -1.479 1.00 0.00 N ATOM 1060 CA SER A 73 -25.778 -4.268 -0.436 1.00 0.00 C ATOM 1061 C SER A 73 -24.508 -4.087 0.389 1.00 0.00 C ATOM 1062 O SER A 73 -23.945 -5.052 0.904 1.00 0.00 O ATOM 1063 CB SER A 73 -26.938 -4.672 0.476 1.00 0.00 C ATOM 1064 OG SER A 73 -28.185 -4.486 -0.173 1.00 0.00 O ATOM 0 H SER A 73 -26.350 -5.931 -1.578 1.00 0.00 H new ATOM 0 HA SER A 73 -26.017 -3.320 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 73 -26.829 -5.716 0.768 1.00 0.00 H new ATOM 0 HB3 SER A 73 -26.909 -4.080 1.391 1.00 0.00 H new ATOM 0 HG SER A 73 -28.910 -4.753 0.430 1.00 0.00 H new ATOM 1070 N GLY A 74 -24.061 -2.840 0.511 1.00 0.00 N ATOM 1071 CA GLY A 74 -22.860 -2.554 1.274 1.00 0.00 C ATOM 1072 C GLY A 74 -21.937 -1.586 0.560 1.00 0.00 C ATOM 1073 O GLY A 74 -22.211 -1.231 -0.585 1.00 0.00 O ATOM 0 H GLY A 74 -24.509 -2.024 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -23.139 -2.138 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -22.326 -3.484 1.468 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 3.254 -9.297 -1.992 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -5.913 -2.825 -3.941 1.00 0.00 ZN