USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=23 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= 0.0189 USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.0871 USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0304 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.191 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 38:sc= 0.0105 USER MOD Single : A 6 SER OG : rot 29:sc= 0.166 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 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 139:sc= -1.14 (180deg=-3!) USER MOD Single : A 22 LYS NZ :NH3+ 147:sc= 0.0174 (180deg=-0.236) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -151:sc= -0.109 (180deg=-1.11) USER MOD Single : A 26 ASN : amide:sc= -3.99 K(o=-4,f=-9.7!) USER MOD Single : A 30 MET CE :methyl 156:sc= -1.49 (180deg=-2.66!) USER MOD Single : A 33 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00044) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.211) USER MOD Single : A 38 THR OG1 : rot -13:sc= 0.897 USER MOD Single : A 46 ASN : amide:sc= -4.11 K(o=-4.1,f=-4.8) 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= 0 X(o=0,f=-0.0047) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 33:sc= 0.0238 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 75.260 -14.717 -21.565 1.00 0.00 N ATOM 2 CA GLY A 1 73.814 -14.681 -21.451 1.00 0.00 C ATOM 3 C GLY A 1 73.273 -13.267 -21.368 1.00 0.00 C ATOM 4 O GLY A 1 73.936 -12.372 -20.842 1.00 0.00 O ATOM 0 H1 GLY A 1 75.645 -15.402 -20.884 1.00 0.00 H new ATOM 0 H2 GLY A 1 75.525 -15.001 -22.530 1.00 0.00 H new ATOM 0 H3 GLY A 1 75.648 -13.773 -21.364 1.00 0.00 H new ATOM 0 HA2 GLY A 1 73.372 -15.186 -22.310 1.00 0.00 H new ATOM 0 HA3 GLY A 1 73.509 -15.236 -20.564 1.00 0.00 H new ATOM 8 N SER A 2 72.068 -13.064 -21.888 1.00 0.00 N ATOM 9 CA SER A 2 71.441 -11.748 -21.875 1.00 0.00 C ATOM 10 C SER A 2 69.921 -11.869 -21.930 1.00 0.00 C ATOM 11 O SER A 2 69.382 -12.789 -22.546 1.00 0.00 O ATOM 12 CB SER A 2 71.939 -10.911 -23.055 1.00 0.00 C ATOM 13 OG SER A 2 73.355 -10.859 -23.081 1.00 0.00 O ATOM 0 H SER A 2 71.505 -13.795 -22.324 1.00 0.00 H new ATOM 0 HA SER A 2 71.715 -11.252 -20.944 1.00 0.00 H new ATOM 0 HB2 SER A 2 71.570 -11.337 -23.988 1.00 0.00 H new ATOM 0 HB3 SER A 2 71.536 -9.901 -22.984 1.00 0.00 H new ATOM 0 HG SER A 2 73.649 -10.320 -23.845 1.00 0.00 H new ATOM 19 N SER A 3 69.235 -10.934 -21.280 1.00 0.00 N ATOM 20 CA SER A 3 67.777 -10.937 -21.250 1.00 0.00 C ATOM 21 C SER A 3 67.244 -9.658 -20.612 1.00 0.00 C ATOM 22 O SER A 3 68.002 -8.871 -20.046 1.00 0.00 O ATOM 23 CB SER A 3 67.264 -12.157 -20.482 1.00 0.00 C ATOM 24 OG SER A 3 67.487 -12.012 -19.090 1.00 0.00 O ATOM 0 H SER A 3 69.666 -10.165 -20.767 1.00 0.00 H new ATOM 0 HA SER A 3 67.417 -10.986 -22.278 1.00 0.00 H new ATOM 0 HB2 SER A 3 66.199 -12.289 -20.671 1.00 0.00 H new ATOM 0 HB3 SER A 3 67.765 -13.055 -20.843 1.00 0.00 H new ATOM 0 HG SER A 3 67.149 -12.803 -18.620 1.00 0.00 H new ATOM 30 N GLY A 4 65.933 -9.458 -20.707 1.00 0.00 N ATOM 31 CA GLY A 4 65.320 -8.274 -20.136 1.00 0.00 C ATOM 32 C GLY A 4 63.831 -8.446 -19.904 1.00 0.00 C ATOM 33 O GLY A 4 63.099 -8.854 -20.806 1.00 0.00 O ATOM 0 H GLY A 4 65.285 -10.095 -21.169 1.00 0.00 H new ATOM 0 HA2 GLY A 4 65.807 -8.037 -19.190 1.00 0.00 H new ATOM 0 HA3 GLY A 4 65.485 -7.426 -20.801 1.00 0.00 H new ATOM 37 N SER A 5 63.383 -8.136 -18.692 1.00 0.00 N ATOM 38 CA SER A 5 61.973 -8.264 -18.344 1.00 0.00 C ATOM 39 C SER A 5 61.371 -6.903 -18.007 1.00 0.00 C ATOM 40 O SER A 5 61.952 -6.124 -17.251 1.00 0.00 O ATOM 41 CB SER A 5 61.803 -9.216 -17.159 1.00 0.00 C ATOM 42 OG SER A 5 62.633 -8.835 -16.075 1.00 0.00 O ATOM 0 H SER A 5 63.975 -7.795 -17.935 1.00 0.00 H new ATOM 0 HA SER A 5 61.447 -8.671 -19.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 60.761 -9.221 -16.839 1.00 0.00 H new ATOM 0 HB3 SER A 5 62.046 -10.233 -17.468 1.00 0.00 H new ATOM 0 HG SER A 5 62.654 -7.858 -16.007 1.00 0.00 H new ATOM 48 N SER A 6 60.202 -6.623 -18.574 1.00 0.00 N ATOM 49 CA SER A 6 59.521 -5.355 -18.339 1.00 0.00 C ATOM 50 C SER A 6 58.009 -5.520 -18.455 1.00 0.00 C ATOM 51 O SER A 6 57.514 -6.598 -18.781 1.00 0.00 O ATOM 52 CB SER A 6 60.008 -4.298 -19.332 1.00 0.00 C ATOM 53 OG SER A 6 61.143 -3.613 -18.831 1.00 0.00 O ATOM 0 H SER A 6 59.706 -7.258 -19.200 1.00 0.00 H new ATOM 0 HA SER A 6 59.756 -5.027 -17.326 1.00 0.00 H new ATOM 0 HB2 SER A 6 60.256 -4.773 -20.281 1.00 0.00 H new ATOM 0 HB3 SER A 6 59.208 -3.585 -19.531 1.00 0.00 H new ATOM 0 HG SER A 6 61.649 -4.208 -18.239 1.00 0.00 H new ATOM 59 N GLY A 7 57.280 -4.441 -18.186 1.00 0.00 N ATOM 60 CA GLY A 7 55.831 -4.486 -18.265 1.00 0.00 C ATOM 61 C GLY A 7 55.324 -4.340 -19.686 1.00 0.00 C ATOM 62 O GLY A 7 55.567 -5.188 -20.545 1.00 0.00 O ATOM 0 H GLY A 7 57.667 -3.537 -17.915 1.00 0.00 H new ATOM 0 HA2 GLY A 7 55.477 -5.430 -17.851 1.00 0.00 H new ATOM 0 HA3 GLY A 7 55.412 -3.690 -17.649 1.00 0.00 H new ATOM 66 N PRO A 8 54.599 -3.243 -19.950 1.00 0.00 N ATOM 67 CA PRO A 8 54.303 -2.227 -18.935 1.00 0.00 C ATOM 68 C PRO A 8 53.331 -2.733 -17.874 1.00 0.00 C ATOM 69 O PRO A 8 52.892 -3.882 -17.919 1.00 0.00 O ATOM 70 CB PRO A 8 53.668 -1.093 -19.744 1.00 0.00 C ATOM 71 CG PRO A 8 53.096 -1.759 -20.947 1.00 0.00 C ATOM 72 CD PRO A 8 54.013 -2.909 -21.259 1.00 0.00 C ATOM 0 HA PRO A 8 55.195 -1.929 -18.384 1.00 0.00 H new ATOM 0 HB2 PRO A 8 52.895 -0.582 -19.170 1.00 0.00 H new ATOM 0 HB3 PRO A 8 54.408 -0.342 -20.022 1.00 0.00 H new ATOM 0 HG2 PRO A 8 52.082 -2.110 -20.754 1.00 0.00 H new ATOM 0 HG3 PRO A 8 53.039 -1.066 -21.787 1.00 0.00 H new ATOM 0 HD2 PRO A 8 53.469 -3.753 -21.683 1.00 0.00 H new ATOM 0 HD3 PRO A 8 54.779 -2.628 -21.982 1.00 0.00 H new ATOM 80 N SER A 9 52.999 -1.868 -16.921 1.00 0.00 N ATOM 81 CA SER A 9 52.082 -2.229 -15.847 1.00 0.00 C ATOM 82 C SER A 9 50.955 -1.207 -15.728 1.00 0.00 C ATOM 83 O SER A 9 51.163 -0.011 -15.932 1.00 0.00 O ATOM 84 CB SER A 9 52.834 -2.333 -14.519 1.00 0.00 C ATOM 85 OG SER A 9 53.471 -3.593 -14.391 1.00 0.00 O ATOM 0 H SER A 9 53.352 -0.912 -16.871 1.00 0.00 H new ATOM 0 HA SER A 9 51.646 -3.199 -16.086 1.00 0.00 H new ATOM 0 HB2 SER A 9 53.577 -1.538 -14.455 1.00 0.00 H new ATOM 0 HB3 SER A 9 52.139 -2.187 -13.692 1.00 0.00 H new ATOM 0 HG SER A 9 53.946 -3.634 -13.535 1.00 0.00 H new ATOM 91 N SER A 10 49.761 -1.688 -15.397 1.00 0.00 N ATOM 92 CA SER A 10 48.600 -0.818 -15.254 1.00 0.00 C ATOM 93 C SER A 10 47.416 -1.583 -14.671 1.00 0.00 C ATOM 94 O SER A 10 47.194 -2.749 -14.999 1.00 0.00 O ATOM 95 CB SER A 10 48.217 -0.217 -16.608 1.00 0.00 C ATOM 96 OG SER A 10 47.717 -1.211 -17.484 1.00 0.00 O ATOM 0 H SER A 10 49.572 -2.675 -15.223 1.00 0.00 H new ATOM 0 HA SER A 10 48.863 -0.013 -14.568 1.00 0.00 H new ATOM 0 HB2 SER A 10 47.464 0.558 -16.465 1.00 0.00 H new ATOM 0 HB3 SER A 10 49.087 0.262 -17.056 1.00 0.00 H new ATOM 0 HG SER A 10 47.478 -0.801 -18.341 1.00 0.00 H new ATOM 102 N SER A 11 46.657 -0.918 -13.805 1.00 0.00 N ATOM 103 CA SER A 11 45.498 -1.536 -13.173 1.00 0.00 C ATOM 104 C SER A 11 44.204 -1.055 -13.824 1.00 0.00 C ATOM 105 O SER A 11 44.216 -0.152 -14.659 1.00 0.00 O ATOM 106 CB SER A 11 45.477 -1.220 -11.677 1.00 0.00 C ATOM 107 OG SER A 11 46.709 -1.565 -11.066 1.00 0.00 O ATOM 0 H SER A 11 46.824 0.049 -13.526 1.00 0.00 H new ATOM 0 HA SER A 11 45.574 -2.615 -13.308 1.00 0.00 H new ATOM 0 HB2 SER A 11 45.279 -0.158 -11.529 1.00 0.00 H new ATOM 0 HB3 SER A 11 44.664 -1.766 -11.198 1.00 0.00 H new ATOM 0 HG SER A 11 46.671 -1.352 -10.110 1.00 0.00 H new ATOM 113 N GLN A 12 43.090 -1.667 -13.434 1.00 0.00 N ATOM 114 CA GLN A 12 41.788 -1.302 -13.979 1.00 0.00 C ATOM 115 C GLN A 12 40.668 -1.686 -13.018 1.00 0.00 C ATOM 116 O GLN A 12 40.552 -2.844 -12.616 1.00 0.00 O ATOM 117 CB GLN A 12 41.570 -1.981 -15.332 1.00 0.00 C ATOM 118 CG GLN A 12 41.743 -3.491 -15.291 1.00 0.00 C ATOM 119 CD GLN A 12 41.447 -4.149 -16.624 1.00 0.00 C ATOM 120 OE1 GLN A 12 40.289 -4.274 -17.024 1.00 0.00 O ATOM 121 NE2 GLN A 12 42.494 -4.575 -17.319 1.00 0.00 N ATOM 0 H GLN A 12 43.063 -2.417 -12.743 1.00 0.00 H new ATOM 0 HA GLN A 12 41.770 -0.221 -14.115 1.00 0.00 H new ATOM 0 HB2 GLN A 12 40.566 -1.748 -15.688 1.00 0.00 H new ATOM 0 HB3 GLN A 12 42.270 -1.563 -16.056 1.00 0.00 H new ATOM 0 HG2 GLN A 12 42.764 -3.728 -14.992 1.00 0.00 H new ATOM 0 HG3 GLN A 12 41.083 -3.908 -14.530 1.00 0.00 H new ATOM 0 HE21 GLN A 12 43.436 -4.451 -16.949 1.00 0.00 H new ATOM 0 HE22 GLN A 12 42.356 -5.027 -18.223 1.00 0.00 H new ATOM 130 N SER A 13 39.846 -0.708 -12.653 1.00 0.00 N ATOM 131 CA SER A 13 38.738 -0.943 -11.735 1.00 0.00 C ATOM 132 C SER A 13 37.451 -0.318 -12.266 1.00 0.00 C ATOM 133 O SER A 13 37.465 0.402 -13.264 1.00 0.00 O ATOM 134 CB SER A 13 39.063 -0.373 -10.353 1.00 0.00 C ATOM 135 OG SER A 13 39.827 -1.290 -9.590 1.00 0.00 O ATOM 0 H SER A 13 39.926 0.255 -12.979 1.00 0.00 H new ATOM 0 HA SER A 13 38.591 -2.020 -11.650 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.613 0.562 -10.462 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.138 -0.139 -9.826 1.00 0.00 H new ATOM 0 HG SER A 13 40.023 -0.901 -8.712 1.00 0.00 H new ATOM 141 N GLU A 14 36.342 -0.599 -11.590 1.00 0.00 N ATOM 142 CA GLU A 14 35.046 -0.065 -11.994 1.00 0.00 C ATOM 143 C GLU A 14 34.378 0.675 -10.839 1.00 0.00 C ATOM 144 O GLU A 14 34.598 0.352 -9.672 1.00 0.00 O ATOM 145 CB GLU A 14 34.136 -1.192 -12.486 1.00 0.00 C ATOM 146 CG GLU A 14 33.621 -2.089 -11.372 1.00 0.00 C ATOM 147 CD GLU A 14 32.943 -3.340 -11.896 1.00 0.00 C ATOM 148 OE1 GLU A 14 33.650 -4.343 -12.130 1.00 0.00 O ATOM 149 OE2 GLU A 14 31.707 -3.316 -12.072 1.00 0.00 O ATOM 0 H GLU A 14 36.314 -1.193 -10.761 1.00 0.00 H new ATOM 0 HA GLU A 14 35.211 0.641 -12.808 1.00 0.00 H new ATOM 0 HB2 GLU A 14 33.287 -0.758 -13.013 1.00 0.00 H new ATOM 0 HB3 GLU A 14 34.682 -1.800 -13.207 1.00 0.00 H new ATOM 0 HG2 GLU A 14 34.452 -2.374 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 14 32.917 -1.529 -10.756 1.00 0.00 H new ATOM 156 N GLU A 15 33.563 1.671 -11.173 1.00 0.00 N ATOM 157 CA GLU A 15 32.865 2.458 -10.164 1.00 0.00 C ATOM 158 C GLU A 15 31.362 2.473 -10.430 1.00 0.00 C ATOM 159 O GLU A 15 30.825 3.441 -10.970 1.00 0.00 O ATOM 160 CB GLU A 15 33.404 3.889 -10.138 1.00 0.00 C ATOM 161 CG GLU A 15 34.731 4.027 -9.410 1.00 0.00 C ATOM 162 CD GLU A 15 35.061 5.466 -9.067 1.00 0.00 C ATOM 163 OE1 GLU A 15 34.137 6.210 -8.675 1.00 0.00 O ATOM 164 OE2 GLU A 15 36.243 5.850 -9.192 1.00 0.00 O ATOM 0 H GLU A 15 33.370 1.952 -12.135 1.00 0.00 H new ATOM 0 HA GLU A 15 33.040 1.994 -9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 15 33.523 4.242 -11.162 1.00 0.00 H new ATOM 0 HB3 GLU A 15 32.668 4.537 -9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.702 3.437 -8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 15 35.526 3.614 -10.030 1.00 0.00 H new ATOM 171 N LYS A 16 30.688 1.394 -10.047 1.00 0.00 N ATOM 172 CA LYS A 16 29.248 1.282 -10.243 1.00 0.00 C ATOM 173 C LYS A 16 28.517 2.452 -9.591 1.00 0.00 C ATOM 174 O LYS A 16 29.000 3.034 -8.620 1.00 0.00 O ATOM 175 CB LYS A 16 28.735 -0.039 -9.664 1.00 0.00 C ATOM 176 CG LYS A 16 28.683 -0.058 -8.146 1.00 0.00 C ATOM 177 CD LYS A 16 27.610 -1.007 -7.637 1.00 0.00 C ATOM 178 CE LYS A 16 26.222 -0.401 -7.768 1.00 0.00 C ATOM 179 NZ LYS A 16 25.624 -0.668 -9.106 1.00 0.00 N ATOM 0 H LYS A 16 31.117 0.584 -9.599 1.00 0.00 H new ATOM 0 HA LYS A 16 29.050 1.304 -11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 16 27.737 -0.235 -10.056 1.00 0.00 H new ATOM 0 HB3 LYS A 16 29.377 -0.850 -10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 16 29.653 -0.359 -7.751 1.00 0.00 H new ATOM 0 HG3 LYS A 16 28.486 0.948 -7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 16 27.654 -1.941 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 16 27.804 -1.251 -6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 16 25.573 -0.808 -6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 16 26.279 0.675 -7.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.617 -0.904 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.718 0.178 -9.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 26.119 -1.465 -9.555 1.00 0.00 H new ATOM 193 N ALA A 17 27.351 2.790 -10.131 1.00 0.00 N ATOM 194 CA ALA A 17 26.553 3.888 -9.600 1.00 0.00 C ATOM 195 C ALA A 17 25.078 3.712 -9.946 1.00 0.00 C ATOM 196 O ALA A 17 24.721 3.209 -11.011 1.00 0.00 O ATOM 197 CB ALA A 17 27.066 5.218 -10.131 1.00 0.00 C ATOM 0 H ALA A 17 26.938 2.319 -10.936 1.00 0.00 H new ATOM 0 HA ALA A 17 26.648 3.882 -8.514 1.00 0.00 H new ATOM 0 HB1 ALA A 17 26.461 6.029 -9.726 1.00 0.00 H new ATOM 0 HB2 ALA A 17 28.104 5.354 -9.829 1.00 0.00 H new ATOM 0 HB3 ALA A 17 27.001 5.225 -11.219 1.00 0.00 H new ATOM 203 N PRO A 18 24.200 4.135 -9.025 1.00 0.00 N ATOM 204 CA PRO A 18 22.749 4.034 -9.210 1.00 0.00 C ATOM 205 C PRO A 18 22.234 4.988 -10.282 1.00 0.00 C ATOM 206 O PRO A 18 22.956 5.876 -10.734 1.00 0.00 O ATOM 207 CB PRO A 18 22.189 4.418 -7.838 1.00 0.00 C ATOM 208 CG PRO A 18 23.242 5.275 -7.225 1.00 0.00 C ATOM 209 CD PRO A 18 24.554 4.744 -7.732 1.00 0.00 C ATOM 0 HA PRO A 18 22.449 3.041 -9.545 1.00 0.00 H new ATOM 0 HB2 PRO A 18 21.246 4.956 -7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 18 21.993 3.535 -7.229 1.00 0.00 H new ATOM 0 HG2 PRO A 18 23.108 6.319 -7.507 1.00 0.00 H new ATOM 0 HG3 PRO A 18 23.197 5.230 -6.137 1.00 0.00 H new ATOM 0 HD2 PRO A 18 25.290 5.539 -7.851 1.00 0.00 H new ATOM 0 HD3 PRO A 18 24.983 4.012 -7.047 1.00 0.00 H new ATOM 217 N GLU A 19 20.981 4.798 -10.684 1.00 0.00 N ATOM 218 CA GLU A 19 20.370 5.643 -11.703 1.00 0.00 C ATOM 219 C GLU A 19 19.282 6.526 -11.098 1.00 0.00 C ATOM 220 O GLU A 19 18.973 6.424 -9.910 1.00 0.00 O ATOM 221 CB GLU A 19 19.780 4.784 -12.823 1.00 0.00 C ATOM 222 CG GLU A 19 18.684 3.842 -12.355 1.00 0.00 C ATOM 223 CD GLU A 19 18.486 2.665 -13.291 1.00 0.00 C ATOM 224 OE1 GLU A 19 18.019 2.883 -14.428 1.00 0.00 O ATOM 225 OE2 GLU A 19 18.799 1.526 -12.885 1.00 0.00 O ATOM 0 H GLU A 19 20.370 4.067 -10.320 1.00 0.00 H new ATOM 0 HA GLU A 19 21.146 6.286 -12.118 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.379 5.438 -13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.579 4.200 -13.280 1.00 0.00 H new ATOM 0 HG2 GLU A 19 18.929 3.472 -11.359 1.00 0.00 H new ATOM 0 HG3 GLU A 19 17.748 4.394 -12.269 1.00 0.00 H new ATOM 232 N LEU A 20 18.705 7.393 -11.924 1.00 0.00 N ATOM 233 CA LEU A 20 17.652 8.295 -11.471 1.00 0.00 C ATOM 234 C LEU A 20 16.727 7.598 -10.479 1.00 0.00 C ATOM 235 O LEU A 20 16.561 6.378 -10.498 1.00 0.00 O ATOM 236 CB LEU A 20 16.844 8.807 -12.665 1.00 0.00 C ATOM 237 CG LEU A 20 17.502 9.907 -13.499 1.00 0.00 C ATOM 238 CD1 LEU A 20 17.532 11.216 -12.725 1.00 0.00 C ATOM 239 CD2 LEU A 20 18.908 9.496 -13.910 1.00 0.00 C ATOM 0 H LEU A 20 18.949 7.490 -12.910 1.00 0.00 H new ATOM 0 HA LEU A 20 18.123 9.140 -10.969 1.00 0.00 H new ATOM 0 HB2 LEU A 20 16.627 7.963 -13.320 1.00 0.00 H new ATOM 0 HB3 LEU A 20 15.888 9.180 -12.298 1.00 0.00 H new ATOM 0 HG LEU A 20 16.910 10.055 -14.402 1.00 0.00 H new ATOM 0 HD11 LEU A 20 18.004 11.988 -13.333 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.513 11.518 -12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.101 11.082 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.361 10.291 -14.503 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.511 9.320 -13.019 1.00 0.00 H new ATOM 0 HD23 LEU A 20 18.861 8.583 -14.503 1.00 0.00 H new ATOM 251 N PRO A 21 16.108 8.389 -9.590 1.00 0.00 N ATOM 252 CA PRO A 21 15.187 7.870 -8.574 1.00 0.00 C ATOM 253 C PRO A 21 13.882 7.364 -9.180 1.00 0.00 C ATOM 254 O PRO A 21 13.488 7.780 -10.269 1.00 0.00 O ATOM 255 CB PRO A 21 14.926 9.084 -7.679 1.00 0.00 C ATOM 256 CG PRO A 21 15.169 10.262 -8.558 1.00 0.00 C ATOM 257 CD PRO A 21 16.259 9.852 -9.509 1.00 0.00 C ATOM 0 HA PRO A 21 15.605 7.014 -8.043 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.906 9.081 -7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.592 9.090 -6.816 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.264 10.539 -9.098 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.469 11.131 -7.972 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.139 10.323 -10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 21 17.244 10.134 -9.137 1.00 0.00 H new ATOM 265 N LYS A 22 13.215 6.463 -8.467 1.00 0.00 N ATOM 266 CA LYS A 22 11.953 5.900 -8.932 1.00 0.00 C ATOM 267 C LYS A 22 10.893 5.963 -7.837 1.00 0.00 C ATOM 268 O LYS A 22 11.192 5.889 -6.645 1.00 0.00 O ATOM 269 CB LYS A 22 12.152 4.451 -9.381 1.00 0.00 C ATOM 270 CG LYS A 22 13.166 4.295 -10.502 1.00 0.00 C ATOM 271 CD LYS A 22 13.662 2.863 -10.609 1.00 0.00 C ATOM 272 CE LYS A 22 15.070 2.803 -11.182 1.00 0.00 C ATOM 273 NZ LYS A 22 16.103 3.073 -10.144 1.00 0.00 N ATOM 0 H LYS A 22 13.528 6.107 -7.564 1.00 0.00 H new ATOM 0 HA LYS A 22 11.610 6.493 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 22 12.473 3.856 -8.526 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.195 4.047 -9.710 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.714 4.596 -11.447 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.010 4.961 -10.326 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.649 2.397 -9.623 1.00 0.00 H new ATOM 0 HD3 LYS A 22 12.985 2.289 -11.242 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.243 1.819 -11.619 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.166 3.531 -11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.958 2.520 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.338 4.086 -10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.735 2.802 -9.210 1.00 0.00 H new ATOM 287 N PRO A 23 9.624 6.102 -8.248 1.00 0.00 N ATOM 288 CA PRO A 23 8.493 6.176 -7.318 1.00 0.00 C ATOM 289 C PRO A 23 8.226 4.844 -6.624 1.00 0.00 C ATOM 290 O PRO A 23 7.799 4.809 -5.470 1.00 0.00 O ATOM 291 CB PRO A 23 7.316 6.555 -8.219 1.00 0.00 C ATOM 292 CG PRO A 23 7.699 6.060 -9.571 1.00 0.00 C ATOM 293 CD PRO A 23 9.194 6.197 -9.654 1.00 0.00 C ATOM 0 HA PRO A 23 8.675 6.886 -6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.390 6.093 -7.876 1.00 0.00 H new ATOM 0 HB3 PRO A 23 7.152 7.633 -8.224 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.394 5.022 -9.708 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.210 6.641 -10.352 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.636 5.409 -10.264 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.486 7.148 -10.100 1.00 0.00 H new ATOM 301 N LYS A 24 8.480 3.751 -7.335 1.00 0.00 N ATOM 302 CA LYS A 24 8.269 2.416 -6.787 1.00 0.00 C ATOM 303 C LYS A 24 9.339 1.449 -7.282 1.00 0.00 C ATOM 304 O LYS A 24 9.497 1.244 -8.486 1.00 0.00 O ATOM 305 CB LYS A 24 6.881 1.898 -7.172 1.00 0.00 C ATOM 306 CG LYS A 24 5.748 2.806 -6.727 1.00 0.00 C ATOM 307 CD LYS A 24 5.521 2.719 -5.227 1.00 0.00 C ATOM 308 CE LYS A 24 4.718 3.905 -4.715 1.00 0.00 C ATOM 309 NZ LYS A 24 4.283 3.713 -3.304 1.00 0.00 N ATOM 0 H LYS A 24 8.832 3.763 -8.292 1.00 0.00 H new ATOM 0 HA LYS A 24 8.338 2.481 -5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.835 1.777 -8.254 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.737 0.910 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.976 3.836 -7.002 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.833 2.531 -7.251 1.00 0.00 H new ATOM 0 HD2 LYS A 24 4.996 1.794 -4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.482 2.680 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.320 4.810 -4.789 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.843 4.051 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.739 4.543 -2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.687 2.863 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.119 3.599 -2.696 1.00 0.00 H new ATOM 323 N LYS A 25 10.072 0.855 -6.347 1.00 0.00 N ATOM 324 CA LYS A 25 11.127 -0.092 -6.687 1.00 0.00 C ATOM 325 C LYS A 25 10.541 -1.458 -7.030 1.00 0.00 C ATOM 326 O LYS A 25 10.918 -2.471 -6.442 1.00 0.00 O ATOM 327 CB LYS A 25 12.115 -0.227 -5.526 1.00 0.00 C ATOM 328 CG LYS A 25 13.396 -0.952 -5.898 1.00 0.00 C ATOM 329 CD LYS A 25 14.577 -0.452 -5.082 1.00 0.00 C ATOM 330 CE LYS A 25 14.639 -1.128 -3.721 1.00 0.00 C ATOM 331 NZ LYS A 25 13.616 -0.586 -2.785 1.00 0.00 N ATOM 0 H LYS A 25 9.955 1.013 -5.346 1.00 0.00 H new ATOM 0 HA LYS A 25 11.654 0.289 -7.562 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.365 0.767 -5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.630 -0.760 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.269 -2.023 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.600 -0.811 -6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.503 -0.641 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.499 0.627 -4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.489 -2.201 -3.841 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.632 -0.991 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.962 -0.668 -1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.438 0.414 -3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.733 -1.126 -2.886 1.00 0.00 H new ATOM 345 N ASN A 26 9.617 -1.478 -7.985 1.00 0.00 N ATOM 346 CA ASN A 26 8.980 -2.720 -8.407 1.00 0.00 C ATOM 347 C ASN A 26 8.850 -3.689 -7.236 1.00 0.00 C ATOM 348 O ASN A 26 9.141 -4.878 -7.366 1.00 0.00 O ATOM 349 CB ASN A 26 9.781 -3.371 -9.536 1.00 0.00 C ATOM 350 CG ASN A 26 11.202 -3.703 -9.120 1.00 0.00 C ATOM 351 OD1 ASN A 26 11.437 -4.210 -8.023 1.00 0.00 O ATOM 352 ND2 ASN A 26 12.157 -3.416 -9.997 1.00 0.00 N ATOM 0 H ASN A 26 9.293 -0.648 -8.481 1.00 0.00 H new ATOM 0 HA ASN A 26 7.981 -2.481 -8.771 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.277 -4.283 -9.857 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.804 -2.700 -10.395 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.132 -3.616 -9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.916 -2.996 -10.895 1.00 0.00 H new ATOM 359 N ARG A 27 8.410 -3.172 -6.093 1.00 0.00 N ATOM 360 CA ARG A 27 8.242 -3.992 -4.899 1.00 0.00 C ATOM 361 C ARG A 27 6.792 -3.968 -4.423 1.00 0.00 C ATOM 362 O ARG A 27 6.134 -2.928 -4.456 1.00 0.00 O ATOM 363 CB ARG A 27 9.164 -3.499 -3.782 1.00 0.00 C ATOM 364 CG ARG A 27 10.547 -4.130 -3.812 1.00 0.00 C ATOM 365 CD ARG A 27 11.149 -4.216 -2.418 1.00 0.00 C ATOM 366 NE ARG A 27 12.605 -4.103 -2.443 1.00 0.00 N ATOM 367 CZ ARG A 27 13.395 -4.563 -1.480 1.00 0.00 C ATOM 368 NH1 ARG A 27 12.872 -5.166 -0.421 1.00 0.00 N ATOM 369 NH2 ARG A 27 14.711 -4.422 -1.574 1.00 0.00 N ATOM 0 H ARG A 27 8.164 -2.190 -5.969 1.00 0.00 H new ATOM 0 HA ARG A 27 8.507 -5.018 -5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.266 -2.416 -3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.699 -3.709 -2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.484 -5.128 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.202 -3.544 -4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.735 -3.424 -1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.867 -5.163 -1.959 1.00 0.00 H new ATOM 0 HE ARG A 27 13.039 -3.645 -3.245 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.861 -5.277 -0.345 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.481 -5.519 0.318 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.118 -3.959 -2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.316 -4.776 -0.833 1.00 0.00 H new ATOM 383 N CYS A 28 6.300 -5.121 -3.982 1.00 0.00 N ATOM 384 CA CYS A 28 4.929 -5.234 -3.501 1.00 0.00 C ATOM 385 C CYS A 28 4.598 -4.102 -2.532 1.00 0.00 C ATOM 386 O CYS A 28 5.481 -3.563 -1.864 1.00 0.00 O ATOM 387 CB CYS A 28 4.716 -6.585 -2.816 1.00 0.00 C ATOM 388 SG CYS A 28 2.970 -6.988 -2.492 1.00 0.00 S ATOM 0 H CYS A 28 6.831 -5.991 -3.948 1.00 0.00 H new ATOM 0 HA CYS A 28 4.262 -5.161 -4.360 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.149 -7.368 -3.439 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.260 -6.591 -1.872 1.00 0.00 H new ATOM 393 N PHE A 29 3.319 -3.747 -2.461 1.00 0.00 N ATOM 394 CA PHE A 29 2.870 -2.680 -1.574 1.00 0.00 C ATOM 395 C PHE A 29 2.244 -3.253 -0.306 1.00 0.00 C ATOM 396 O PHE A 29 1.753 -2.512 0.546 1.00 0.00 O ATOM 397 CB PHE A 29 1.862 -1.781 -2.293 1.00 0.00 C ATOM 398 CG PHE A 29 0.683 -1.403 -1.443 1.00 0.00 C ATOM 399 CD1 PHE A 29 -0.227 -2.363 -1.031 1.00 0.00 C ATOM 400 CD2 PHE A 29 0.484 -0.087 -1.057 1.00 0.00 C ATOM 401 CE1 PHE A 29 -1.313 -2.019 -0.249 1.00 0.00 C ATOM 402 CE2 PHE A 29 -0.600 0.263 -0.274 1.00 0.00 C ATOM 403 CZ PHE A 29 -1.500 -0.704 0.129 1.00 0.00 C ATOM 0 H PHE A 29 2.576 -4.183 -3.007 1.00 0.00 H new ATOM 0 HA PHE A 29 3.740 -2.086 -1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.367 -0.874 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.506 -2.291 -3.188 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.086 -3.393 -1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.184 0.673 -1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.014 -2.777 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.743 1.292 0.022 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.349 -0.432 0.739 1.00 0.00 H new ATOM 413 N MET A 30 2.264 -4.577 -0.190 1.00 0.00 N ATOM 414 CA MET A 30 1.699 -5.249 0.974 1.00 0.00 C ATOM 415 C MET A 30 2.778 -6.007 1.741 1.00 0.00 C ATOM 416 O MET A 30 2.843 -5.941 2.969 1.00 0.00 O ATOM 417 CB MET A 30 0.590 -6.213 0.544 1.00 0.00 C ATOM 418 CG MET A 30 0.387 -7.372 1.506 1.00 0.00 C ATOM 419 SD MET A 30 0.183 -6.831 3.214 1.00 0.00 S ATOM 420 CE MET A 30 -1.567 -7.125 3.456 1.00 0.00 C ATOM 0 H MET A 30 2.665 -5.205 -0.887 1.00 0.00 H new ATOM 0 HA MET A 30 1.276 -4.490 1.632 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.345 -5.660 0.451 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.826 -6.608 -0.444 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.491 -7.941 1.202 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.241 -8.046 1.442 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.770 -7.256 4.519 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.134 -6.274 3.080 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.863 -8.025 2.917 1.00 0.00 H new ATOM 430 N CYS A 31 3.622 -6.727 1.011 1.00 0.00 N ATOM 431 CA CYS A 31 4.698 -7.497 1.622 1.00 0.00 C ATOM 432 C CYS A 31 6.058 -6.882 1.303 1.00 0.00 C ATOM 433 O CYS A 31 7.059 -7.197 1.946 1.00 0.00 O ATOM 434 CB CYS A 31 4.656 -8.947 1.135 1.00 0.00 C ATOM 435 SG CYS A 31 5.009 -9.146 -0.641 1.00 0.00 S ATOM 0 H CYS A 31 3.581 -6.793 -0.006 1.00 0.00 H new ATOM 0 HA CYS A 31 4.555 -7.478 2.702 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.378 -9.532 1.706 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.671 -9.362 1.347 1.00 0.00 H new ATOM 440 N ARG A 32 6.084 -6.003 0.307 1.00 0.00 N ATOM 441 CA ARG A 32 7.319 -5.343 -0.098 1.00 0.00 C ATOM 442 C ARG A 32 8.327 -6.357 -0.633 1.00 0.00 C ATOM 443 O ARG A 32 9.459 -6.435 -0.155 1.00 0.00 O ATOM 444 CB ARG A 32 7.925 -4.579 1.081 1.00 0.00 C ATOM 445 CG ARG A 32 7.032 -3.469 1.610 1.00 0.00 C ATOM 446 CD ARG A 32 6.056 -3.989 2.653 1.00 0.00 C ATOM 447 NE ARG A 32 5.704 -2.965 3.633 1.00 0.00 N ATOM 448 CZ ARG A 32 4.938 -1.916 3.357 1.00 0.00 C ATOM 449 NH1 ARG A 32 4.446 -1.753 2.137 1.00 0.00 N ATOM 450 NH2 ARG A 32 4.663 -1.026 4.302 1.00 0.00 N ATOM 0 H ARG A 32 5.264 -5.731 -0.235 1.00 0.00 H new ATOM 0 HA ARG A 32 7.080 -4.638 -0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.135 -5.281 1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.879 -4.151 0.774 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.647 -2.682 2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.479 -3.021 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.152 -4.343 2.158 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.495 -4.845 3.165 1.00 0.00 H new ATOM 0 HE ARG A 32 6.066 -3.061 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.655 -2.434 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.858 -0.946 1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.040 -1.147 5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.074 -0.221 4.088 1.00 0.00 H new ATOM 464 N LYS A 33 7.907 -7.134 -1.626 1.00 0.00 N ATOM 465 CA LYS A 33 8.771 -8.143 -2.227 1.00 0.00 C ATOM 466 C LYS A 33 9.103 -7.784 -3.671 1.00 0.00 C ATOM 467 O LYS A 33 8.255 -7.281 -4.408 1.00 0.00 O ATOM 468 CB LYS A 33 8.099 -9.517 -2.172 1.00 0.00 C ATOM 469 CG LYS A 33 8.762 -10.554 -3.062 1.00 0.00 C ATOM 470 CD LYS A 33 7.815 -11.697 -3.388 1.00 0.00 C ATOM 471 CE LYS A 33 8.457 -12.700 -4.335 1.00 0.00 C ATOM 472 NZ LYS A 33 9.488 -13.527 -3.650 1.00 0.00 N ATOM 0 H LYS A 33 6.973 -7.084 -2.032 1.00 0.00 H new ATOM 0 HA LYS A 33 9.700 -8.177 -1.658 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.107 -9.875 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.054 -9.413 -2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.095 -10.082 -3.986 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.650 -10.946 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.521 -12.201 -2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.905 -11.300 -3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.688 -13.350 -4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.913 -12.170 -5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.890 -14.209 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.244 -12.911 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.051 -14.040 -2.857 1.00 0.00 H new ATOM 486 N LYS A 34 10.342 -8.048 -4.071 1.00 0.00 N ATOM 487 CA LYS A 34 10.787 -7.756 -5.429 1.00 0.00 C ATOM 488 C LYS A 34 9.895 -8.448 -6.454 1.00 0.00 C ATOM 489 O LYS A 34 9.941 -9.668 -6.610 1.00 0.00 O ATOM 490 CB LYS A 34 12.239 -8.200 -5.619 1.00 0.00 C ATOM 491 CG LYS A 34 12.907 -7.592 -6.840 1.00 0.00 C ATOM 492 CD LYS A 34 13.274 -6.136 -6.608 1.00 0.00 C ATOM 493 CE LYS A 34 14.519 -6.005 -5.744 1.00 0.00 C ATOM 494 NZ LYS A 34 14.719 -4.609 -5.268 1.00 0.00 N ATOM 0 H LYS A 34 11.057 -8.464 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 34 10.720 -6.679 -5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.811 -7.932 -4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.270 -9.286 -5.702 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.805 -8.160 -7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.238 -7.667 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.442 -5.645 -7.567 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.441 -5.622 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.438 -6.673 -4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.392 -6.323 -6.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.346 -4.612 -4.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.150 -4.042 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.801 -4.196 -5.007 1.00 0.00 H new ATOM 508 N VAL A 35 9.083 -7.660 -7.153 1.00 0.00 N ATOM 509 CA VAL A 35 8.182 -8.197 -8.166 1.00 0.00 C ATOM 510 C VAL A 35 8.737 -7.976 -9.569 1.00 0.00 C ATOM 511 O VAL A 35 8.434 -8.728 -10.494 1.00 0.00 O ATOM 512 CB VAL A 35 6.785 -7.554 -8.072 1.00 0.00 C ATOM 513 CG1 VAL A 35 6.308 -7.524 -6.628 1.00 0.00 C ATOM 514 CG2 VAL A 35 6.802 -6.154 -8.666 1.00 0.00 C ATOM 0 H VAL A 35 9.031 -6.648 -7.036 1.00 0.00 H new ATOM 0 HA VAL A 35 8.096 -9.267 -7.977 1.00 0.00 H new ATOM 0 HB VAL A 35 6.085 -8.159 -8.648 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.320 -7.067 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.256 -8.542 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.006 -6.942 -6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.807 -5.715 -8.591 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.514 -5.535 -8.119 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.097 -6.207 -9.714 1.00 0.00 H new ATOM 524 N GLY A 36 9.554 -6.938 -9.719 1.00 0.00 N ATOM 525 CA GLY A 36 10.140 -6.636 -11.012 1.00 0.00 C ATOM 526 C GLY A 36 9.136 -6.744 -12.143 1.00 0.00 C ATOM 527 O GLY A 36 8.443 -5.778 -12.463 1.00 0.00 O ATOM 0 H GLY A 36 9.821 -6.301 -8.968 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.554 -5.628 -10.993 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.969 -7.318 -11.200 1.00 0.00 H new ATOM 531 N LEU A 37 9.058 -7.923 -12.751 1.00 0.00 N ATOM 532 CA LEU A 37 8.133 -8.154 -13.855 1.00 0.00 C ATOM 533 C LEU A 37 6.860 -8.836 -13.364 1.00 0.00 C ATOM 534 O LEU A 37 5.789 -8.674 -13.950 1.00 0.00 O ATOM 535 CB LEU A 37 8.799 -9.009 -14.934 1.00 0.00 C ATOM 536 CG LEU A 37 9.860 -8.309 -15.785 1.00 0.00 C ATOM 537 CD1 LEU A 37 10.981 -7.775 -14.908 1.00 0.00 C ATOM 538 CD2 LEU A 37 10.410 -9.258 -16.839 1.00 0.00 C ATOM 0 H LEU A 37 9.624 -8.733 -12.498 1.00 0.00 H new ATOM 0 HA LEU A 37 7.865 -7.187 -14.281 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.259 -9.872 -14.453 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.023 -9.390 -15.598 1.00 0.00 H new ATOM 0 HG LEU A 37 9.392 -7.466 -16.293 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.726 -7.280 -15.531 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.574 -7.060 -14.192 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.447 -8.601 -14.371 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.163 -8.743 -17.435 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.862 -10.122 -16.351 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.600 -9.591 -17.488 1.00 0.00 H new ATOM 550 N THR A 38 6.983 -9.600 -12.282 1.00 0.00 N ATOM 551 CA THR A 38 5.843 -10.306 -11.712 1.00 0.00 C ATOM 552 C THR A 38 5.020 -9.388 -10.815 1.00 0.00 C ATOM 553 O THR A 38 4.496 -9.814 -9.787 1.00 0.00 O ATOM 554 CB THR A 38 6.293 -11.533 -10.896 1.00 0.00 C ATOM 555 OG1 THR A 38 7.214 -11.131 -9.875 1.00 0.00 O ATOM 556 CG2 THR A 38 6.946 -12.571 -11.795 1.00 0.00 C ATOM 0 H THR A 38 7.861 -9.745 -11.784 1.00 0.00 H new ATOM 0 HA THR A 38 5.228 -10.640 -12.548 1.00 0.00 H new ATOM 0 HB THR A 38 5.412 -11.978 -10.435 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.520 -10.217 -10.052 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.255 -13.428 -11.196 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.233 -12.896 -12.553 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.818 -12.134 -12.281 1.00 0.00 H new ATOM 564 N GLY A 39 4.911 -8.123 -11.212 1.00 0.00 N ATOM 565 CA GLY A 39 4.150 -7.164 -10.433 1.00 0.00 C ATOM 566 C GLY A 39 2.667 -7.209 -10.747 1.00 0.00 C ATOM 567 O GLY A 39 2.257 -7.769 -11.764 1.00 0.00 O ATOM 0 H GLY A 39 5.336 -7.746 -12.059 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.300 -7.362 -9.372 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.529 -6.161 -10.627 1.00 0.00 H new ATOM 571 N PHE A 40 1.861 -6.618 -9.871 1.00 0.00 N ATOM 572 CA PHE A 40 0.415 -6.595 -10.059 1.00 0.00 C ATOM 573 C PHE A 40 -0.163 -5.238 -9.667 1.00 0.00 C ATOM 574 O PHE A 40 -0.091 -4.832 -8.507 1.00 0.00 O ATOM 575 CB PHE A 40 -0.246 -7.700 -9.233 1.00 0.00 C ATOM 576 CG PHE A 40 -1.379 -8.384 -9.944 1.00 0.00 C ATOM 577 CD1 PHE A 40 -2.665 -7.873 -9.878 1.00 0.00 C ATOM 578 CD2 PHE A 40 -1.158 -9.537 -10.679 1.00 0.00 C ATOM 579 CE1 PHE A 40 -3.709 -8.500 -10.530 1.00 0.00 C ATOM 580 CE2 PHE A 40 -2.198 -10.169 -11.334 1.00 0.00 C ATOM 581 CZ PHE A 40 -3.475 -9.649 -11.261 1.00 0.00 C ATOM 0 H PHE A 40 2.184 -6.149 -9.025 1.00 0.00 H new ATOM 0 HA PHE A 40 0.209 -6.767 -11.115 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.506 -8.443 -8.966 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.617 -7.273 -8.301 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.854 -6.974 -9.310 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.161 -9.947 -10.741 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.707 -8.093 -10.468 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.012 -11.068 -11.902 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.289 -10.139 -11.774 1.00 0.00 H new ATOM 591 N ASP A 41 -0.734 -4.541 -10.643 1.00 0.00 N ATOM 592 CA ASP A 41 -1.325 -3.229 -10.401 1.00 0.00 C ATOM 593 C ASP A 41 -2.803 -3.356 -10.044 1.00 0.00 C ATOM 594 O ASP A 41 -3.620 -3.763 -10.871 1.00 0.00 O ATOM 595 CB ASP A 41 -1.160 -2.337 -11.632 1.00 0.00 C ATOM 596 CG ASP A 41 -1.723 -2.974 -12.888 1.00 0.00 C ATOM 597 OD1 ASP A 41 -2.935 -2.814 -13.142 1.00 0.00 O ATOM 598 OD2 ASP A 41 -0.951 -3.633 -13.616 1.00 0.00 O ATOM 0 H ASP A 41 -0.800 -4.862 -11.609 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.804 -2.773 -9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.659 -1.384 -11.456 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.102 -2.120 -11.781 1.00 0.00 H new ATOM 603 N CYS A 42 -3.139 -3.007 -8.807 1.00 0.00 N ATOM 604 CA CYS A 42 -4.518 -3.083 -8.338 1.00 0.00 C ATOM 605 C CYS A 42 -5.285 -1.815 -8.700 1.00 0.00 C ATOM 606 O CYS A 42 -4.693 -0.806 -9.083 1.00 0.00 O ATOM 607 CB CYS A 42 -4.553 -3.300 -6.824 1.00 0.00 C ATOM 608 SG CYS A 42 -6.201 -3.718 -6.171 1.00 0.00 S ATOM 0 H CYS A 42 -2.475 -2.669 -8.111 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.997 -3.929 -8.830 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.858 -4.099 -6.566 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.197 -2.396 -6.330 1.00 0.00 H new ATOM 613 N ARG A 43 -6.607 -1.874 -8.574 1.00 0.00 N ATOM 614 CA ARG A 43 -7.456 -0.731 -8.888 1.00 0.00 C ATOM 615 C ARG A 43 -7.211 0.413 -7.909 1.00 0.00 C ATOM 616 O ARG A 43 -7.303 1.586 -8.273 1.00 0.00 O ATOM 617 CB ARG A 43 -8.930 -1.139 -8.854 1.00 0.00 C ATOM 618 CG ARG A 43 -9.224 -2.427 -9.606 1.00 0.00 C ATOM 619 CD ARG A 43 -9.612 -2.152 -11.051 1.00 0.00 C ATOM 620 NE ARG A 43 -10.940 -1.555 -11.156 1.00 0.00 N ATOM 621 CZ ARG A 43 -11.648 -1.531 -12.280 1.00 0.00 C ATOM 622 NH1 ARG A 43 -11.157 -2.069 -13.388 1.00 0.00 N ATOM 623 NH2 ARG A 43 -12.850 -0.970 -12.297 1.00 0.00 N ATOM 0 H ARG A 43 -7.113 -2.701 -8.257 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.204 -0.388 -9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.242 -1.255 -7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.531 -0.335 -9.279 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.346 -3.073 -9.580 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.030 -2.965 -9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.878 -1.485 -11.503 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.587 -3.083 -11.617 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.347 -1.133 -10.321 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.234 -2.503 -13.379 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.703 -2.049 -14.250 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.232 -0.556 -11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.392 -0.952 -13.161 1.00 0.00 H new ATOM 637 N CYS A 44 -6.900 0.065 -6.665 1.00 0.00 N ATOM 638 CA CYS A 44 -6.643 1.061 -5.633 1.00 0.00 C ATOM 639 C CYS A 44 -5.402 1.884 -5.968 1.00 0.00 C ATOM 640 O CYS A 44 -5.076 2.846 -5.274 1.00 0.00 O ATOM 641 CB CYS A 44 -6.466 0.383 -4.273 1.00 0.00 C ATOM 642 SG CYS A 44 -5.016 -0.714 -4.172 1.00 0.00 S ATOM 0 H CYS A 44 -6.820 -0.901 -6.347 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.501 1.731 -5.589 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.381 1.151 -3.504 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.362 -0.195 -4.048 1.00 0.00 H new ATOM 647 N GLY A 45 -4.714 1.498 -7.038 1.00 0.00 N ATOM 648 CA GLY A 45 -3.518 2.210 -7.448 1.00 0.00 C ATOM 649 C GLY A 45 -2.292 1.783 -6.664 1.00 0.00 C ATOM 650 O GLY A 45 -1.507 2.620 -6.223 1.00 0.00 O ATOM 0 H GLY A 45 -4.964 0.705 -7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.344 2.040 -8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.674 3.281 -7.318 1.00 0.00 H new ATOM 654 N ASN A 46 -2.130 0.475 -6.490 1.00 0.00 N ATOM 655 CA ASN A 46 -0.992 -0.062 -5.751 1.00 0.00 C ATOM 656 C ASN A 46 -0.339 -1.208 -6.518 1.00 0.00 C ATOM 657 O ASN A 46 -0.882 -1.695 -7.510 1.00 0.00 O ATOM 658 CB ASN A 46 -1.436 -0.545 -4.369 1.00 0.00 C ATOM 659 CG ASN A 46 -1.450 0.572 -3.343 1.00 0.00 C ATOM 660 OD1 ASN A 46 -0.550 1.412 -3.312 1.00 0.00 O ATOM 661 ND2 ASN A 46 -2.473 0.585 -2.497 1.00 0.00 N ATOM 0 H ASN A 46 -2.771 -0.232 -6.850 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.259 0.736 -5.630 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.433 -0.980 -4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.767 -1.336 -4.031 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.536 1.312 -1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.196 -0.132 -2.560 1.00 0.00 H new ATOM 668 N LEU A 47 0.829 -1.634 -6.050 1.00 0.00 N ATOM 669 CA LEU A 47 1.558 -2.724 -6.690 1.00 0.00 C ATOM 670 C LEU A 47 1.621 -3.946 -5.779 1.00 0.00 C ATOM 671 O LEU A 47 1.892 -3.828 -4.583 1.00 0.00 O ATOM 672 CB LEU A 47 2.973 -2.272 -7.056 1.00 0.00 C ATOM 673 CG LEU A 47 3.969 -3.385 -7.382 1.00 0.00 C ATOM 674 CD1 LEU A 47 3.593 -4.074 -8.685 1.00 0.00 C ATOM 675 CD2 LEU A 47 5.384 -2.829 -7.460 1.00 0.00 C ATOM 0 H LEU A 47 1.292 -1.242 -5.230 1.00 0.00 H new ATOM 0 HA LEU A 47 1.025 -3.000 -7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.909 -1.606 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.372 -1.686 -6.228 1.00 0.00 H new ATOM 0 HG LEU A 47 3.933 -4.123 -6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.313 -4.863 -8.900 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.597 -4.507 -8.593 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.599 -3.346 -9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.079 -3.635 -7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.434 -2.070 -8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.653 -2.383 -6.502 1.00 0.00 H new ATOM 687 N PHE A 48 1.373 -5.118 -6.352 1.00 0.00 N ATOM 688 CA PHE A 48 1.403 -6.363 -5.592 1.00 0.00 C ATOM 689 C PHE A 48 2.178 -7.440 -6.343 1.00 0.00 C ATOM 690 O PHE A 48 2.248 -7.428 -7.572 1.00 0.00 O ATOM 691 CB PHE A 48 -0.021 -6.846 -5.308 1.00 0.00 C ATOM 692 CG PHE A 48 -0.861 -5.840 -4.576 1.00 0.00 C ATOM 693 CD1 PHE A 48 -1.548 -4.856 -5.269 1.00 0.00 C ATOM 694 CD2 PHE A 48 -0.966 -5.878 -3.195 1.00 0.00 C ATOM 695 CE1 PHE A 48 -2.321 -3.928 -4.597 1.00 0.00 C ATOM 696 CE2 PHE A 48 -1.738 -4.953 -2.518 1.00 0.00 C ATOM 697 CZ PHE A 48 -2.418 -3.977 -3.220 1.00 0.00 C ATOM 0 H PHE A 48 1.149 -5.233 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 48 1.909 -6.170 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.507 -7.095 -6.252 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.025 -7.764 -4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.479 -4.814 -6.346 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.438 -6.640 -2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.849 -3.164 -5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.810 -4.993 -1.441 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.024 -3.254 -2.694 1.00 0.00 H new ATOM 707 N CYS A 49 2.760 -8.372 -5.595 1.00 0.00 N ATOM 708 CA CYS A 49 3.532 -9.458 -6.188 1.00 0.00 C ATOM 709 C CYS A 49 2.617 -10.593 -6.639 1.00 0.00 C ATOM 710 O CYS A 49 3.049 -11.737 -6.772 1.00 0.00 O ATOM 711 CB CYS A 49 4.562 -9.985 -5.188 1.00 0.00 C ATOM 712 SG CYS A 49 3.833 -10.728 -3.693 1.00 0.00 S ATOM 0 H CYS A 49 2.712 -8.397 -4.576 1.00 0.00 H new ATOM 0 HA CYS A 49 4.052 -9.065 -7.062 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.186 -10.729 -5.683 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.217 -9.166 -4.891 1.00 0.00 H new ATOM 717 N GLY A 50 1.349 -10.267 -6.872 1.00 0.00 N ATOM 718 CA GLY A 50 0.393 -11.269 -7.305 1.00 0.00 C ATOM 719 C GLY A 50 -0.133 -12.104 -6.154 1.00 0.00 C ATOM 720 O GLY A 50 -1.257 -12.604 -6.203 1.00 0.00 O ATOM 0 H GLY A 50 0.967 -9.327 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.442 -10.778 -7.805 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.864 -11.923 -8.039 1.00 0.00 H new ATOM 724 N LEU A 51 0.683 -12.258 -5.117 1.00 0.00 N ATOM 725 CA LEU A 51 0.294 -13.041 -3.948 1.00 0.00 C ATOM 726 C LEU A 51 -0.736 -12.292 -3.109 1.00 0.00 C ATOM 727 O LEU A 51 -1.522 -12.902 -2.384 1.00 0.00 O ATOM 728 CB LEU A 51 1.523 -13.366 -3.097 1.00 0.00 C ATOM 729 CG LEU A 51 2.734 -13.920 -3.850 1.00 0.00 C ATOM 730 CD1 LEU A 51 3.942 -14.001 -2.931 1.00 0.00 C ATOM 731 CD2 LEU A 51 2.416 -15.287 -4.439 1.00 0.00 C ATOM 0 H LEU A 51 1.617 -11.852 -5.061 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.156 -13.971 -4.297 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.829 -12.459 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.232 -14.089 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 51 2.971 -13.240 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.794 -14.397 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.183 -13.006 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.717 -14.658 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.289 -15.666 -4.971 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.152 -15.976 -3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.579 -15.199 -5.131 1.00 0.00 H new ATOM 743 N HIS A 52 -0.728 -10.967 -3.215 1.00 0.00 N ATOM 744 CA HIS A 52 -1.664 -10.135 -2.467 1.00 0.00 C ATOM 745 C HIS A 52 -2.555 -9.335 -3.413 1.00 0.00 C ATOM 746 O HIS A 52 -3.471 -8.638 -2.978 1.00 0.00 O ATOM 747 CB HIS A 52 -0.906 -9.186 -1.538 1.00 0.00 C ATOM 748 CG HIS A 52 -0.045 -9.890 -0.535 1.00 0.00 C ATOM 749 ND1 HIS A 52 1.319 -10.030 -0.680 1.00 0.00 N ATOM 750 CD2 HIS A 52 -0.362 -10.494 0.634 1.00 0.00 C ATOM 751 CE1 HIS A 52 1.803 -10.692 0.356 1.00 0.00 C ATOM 752 NE2 HIS A 52 0.804 -10.985 1.168 1.00 0.00 N ATOM 0 H HIS A 52 -0.084 -10.447 -3.811 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.296 -10.791 -1.868 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.282 -8.524 -2.139 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.623 -8.557 -1.011 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.348 -10.575 1.066 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.840 -10.950 0.512 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.885 -11.493 2.049 1.00 0.00 H new ATOM 760 N ARG A 53 -2.279 -9.442 -4.709 1.00 0.00 N ATOM 761 CA ARG A 53 -3.055 -8.727 -5.716 1.00 0.00 C ATOM 762 C ARG A 53 -4.533 -8.692 -5.340 1.00 0.00 C ATOM 763 O ARG A 53 -5.171 -7.640 -5.386 1.00 0.00 O ATOM 764 CB ARG A 53 -2.881 -9.386 -7.086 1.00 0.00 C ATOM 765 CG ARG A 53 -3.437 -10.799 -7.157 1.00 0.00 C ATOM 766 CD ARG A 53 -3.043 -11.488 -8.454 1.00 0.00 C ATOM 767 NE ARG A 53 -3.882 -12.650 -8.733 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.167 -12.568 -9.057 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.758 -11.384 -9.142 1.00 0.00 N ATOM 770 NH2 ARG A 53 -5.865 -13.671 -9.297 1.00 0.00 N ATOM 0 H ARG A 53 -1.525 -10.016 -5.086 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.686 -7.702 -5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.374 -8.772 -7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.820 -9.409 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.070 -11.379 -6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.524 -10.768 -7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.119 -10.779 -9.279 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.000 -11.799 -8.397 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.458 -13.576 -8.676 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.225 -10.534 -8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.745 -11.324 -9.391 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.414 -14.584 -9.233 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.852 -13.606 -9.546 1.00 0.00 H new ATOM 784 N TYR A 54 -5.071 -9.849 -4.968 1.00 0.00 N ATOM 785 CA TYR A 54 -6.475 -9.951 -4.587 1.00 0.00 C ATOM 786 C TYR A 54 -6.882 -8.786 -3.690 1.00 0.00 C ATOM 787 O TYR A 54 -6.035 -8.123 -3.092 1.00 0.00 O ATOM 788 CB TYR A 54 -6.735 -11.277 -3.870 1.00 0.00 C ATOM 789 CG TYR A 54 -6.299 -12.489 -4.662 1.00 0.00 C ATOM 790 CD1 TYR A 54 -4.977 -12.914 -4.648 1.00 0.00 C ATOM 791 CD2 TYR A 54 -7.211 -13.210 -5.423 1.00 0.00 C ATOM 792 CE1 TYR A 54 -4.575 -14.021 -5.371 1.00 0.00 C ATOM 793 CE2 TYR A 54 -6.819 -14.319 -6.147 1.00 0.00 C ATOM 794 CZ TYR A 54 -5.499 -14.720 -6.119 1.00 0.00 C ATOM 795 OH TYR A 54 -5.103 -15.823 -6.839 1.00 0.00 O ATOM 0 H TYR A 54 -4.556 -10.728 -4.922 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.076 -9.913 -5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.213 -11.272 -2.913 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.800 -11.360 -3.652 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.251 -12.370 -4.062 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.245 -12.898 -5.449 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.543 -14.337 -5.350 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.541 -14.869 -6.732 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.875 -16.201 -7.310 1.00 0.00 H new ATOM 805 N SER A 55 -8.186 -8.544 -3.601 1.00 0.00 N ATOM 806 CA SER A 55 -8.708 -7.458 -2.780 1.00 0.00 C ATOM 807 C SER A 55 -8.845 -7.895 -1.325 1.00 0.00 C ATOM 808 O SER A 55 -8.649 -7.100 -0.405 1.00 0.00 O ATOM 809 CB SER A 55 -10.063 -6.992 -3.315 1.00 0.00 C ATOM 810 OG SER A 55 -10.872 -8.095 -3.686 1.00 0.00 O ATOM 0 H SER A 55 -8.900 -9.086 -4.088 1.00 0.00 H new ATOM 0 HA SER A 55 -8.003 -6.628 -2.827 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.574 -6.402 -2.555 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.913 -6.341 -4.176 1.00 0.00 H new ATOM 0 HG SER A 55 -11.733 -7.770 -4.023 1.00 0.00 H new ATOM 816 N ASP A 56 -9.183 -9.164 -1.124 1.00 0.00 N ATOM 817 CA ASP A 56 -9.346 -9.708 0.219 1.00 0.00 C ATOM 818 C ASP A 56 -8.028 -10.275 0.739 1.00 0.00 C ATOM 819 O ASP A 56 -8.009 -11.070 1.679 1.00 0.00 O ATOM 820 CB ASP A 56 -10.420 -10.797 0.224 1.00 0.00 C ATOM 821 CG ASP A 56 -11.819 -10.229 0.366 1.00 0.00 C ATOM 822 OD1 ASP A 56 -11.952 -9.104 0.893 1.00 0.00 O ATOM 823 OD2 ASP A 56 -12.780 -10.909 -0.049 1.00 0.00 O ATOM 0 H ASP A 56 -9.349 -9.835 -1.874 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.658 -8.897 0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.356 -11.371 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.227 -11.490 1.043 1.00 0.00 H new ATOM 828 N LYS A 57 -6.927 -9.861 0.121 1.00 0.00 N ATOM 829 CA LYS A 57 -5.604 -10.326 0.520 1.00 0.00 C ATOM 830 C LYS A 57 -4.805 -9.200 1.169 1.00 0.00 C ATOM 831 O LYS A 57 -4.090 -9.417 2.148 1.00 0.00 O ATOM 832 CB LYS A 57 -4.845 -10.872 -0.691 1.00 0.00 C ATOM 833 CG LYS A 57 -5.190 -12.313 -1.026 1.00 0.00 C ATOM 834 CD LYS A 57 -4.642 -13.274 0.016 1.00 0.00 C ATOM 835 CE LYS A 57 -5.185 -14.681 -0.183 1.00 0.00 C ATOM 836 NZ LYS A 57 -4.873 -15.565 0.974 1.00 0.00 N ATOM 0 H LYS A 57 -6.925 -9.204 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.732 -11.125 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.060 -10.245 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.774 -10.798 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.272 -12.423 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.785 -12.567 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.554 -13.292 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.904 -12.919 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.265 -14.637 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.761 -15.109 -1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.260 -16.515 0.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.842 -15.628 1.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.299 -15.171 1.837 1.00 0.00 H new ATOM 850 N HIS A 58 -4.931 -7.997 0.618 1.00 0.00 N ATOM 851 CA HIS A 58 -4.222 -6.837 1.145 1.00 0.00 C ATOM 852 C HIS A 58 -5.202 -5.793 1.669 1.00 0.00 C ATOM 853 O HIS A 58 -4.850 -4.626 1.837 1.00 0.00 O ATOM 854 CB HIS A 58 -3.333 -6.221 0.063 1.00 0.00 C ATOM 855 CG HIS A 58 -4.102 -5.544 -1.030 1.00 0.00 C ATOM 856 ND1 HIS A 58 -4.148 -6.019 -2.323 1.00 0.00 N ATOM 857 CD2 HIS A 58 -4.860 -4.423 -1.015 1.00 0.00 C ATOM 858 CE1 HIS A 58 -4.899 -5.218 -3.058 1.00 0.00 C ATOM 859 NE2 HIS A 58 -5.344 -4.242 -2.287 1.00 0.00 N ATOM 0 H HIS A 58 -5.517 -7.800 -0.193 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.596 -7.170 1.973 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.661 -5.498 0.525 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.710 -7.002 -0.372 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.676 -6.858 -2.660 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.049 -3.789 -0.161 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.113 -5.340 -4.110 1.00 0.00 H new ATOM 867 N ASN A 59 -6.434 -6.221 1.926 1.00 0.00 N ATOM 868 CA ASN A 59 -7.466 -5.322 2.431 1.00 0.00 C ATOM 869 C ASN A 59 -7.661 -4.136 1.491 1.00 0.00 C ATOM 870 O ASN A 59 -7.649 -2.982 1.919 1.00 0.00 O ATOM 871 CB ASN A 59 -7.098 -4.823 3.830 1.00 0.00 C ATOM 872 CG ASN A 59 -6.770 -5.958 4.780 1.00 0.00 C ATOM 873 OD1 ASN A 59 -7.523 -6.926 4.892 1.00 0.00 O ATOM 874 ND2 ASN A 59 -5.642 -5.844 5.471 1.00 0.00 N ATOM 0 H ASN A 59 -6.742 -7.184 1.793 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.402 -5.878 2.486 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.242 -4.152 3.760 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.926 -4.241 4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.369 -6.576 6.126 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.048 -5.024 5.346 1.00 0.00 H new ATOM 881 N CYS A 60 -7.841 -4.429 0.207 1.00 0.00 N ATOM 882 CA CYS A 60 -8.039 -3.388 -0.794 1.00 0.00 C ATOM 883 C CYS A 60 -9.172 -2.450 -0.388 1.00 0.00 C ATOM 884 O CYS A 60 -10.323 -2.859 -0.228 1.00 0.00 O ATOM 885 CB CYS A 60 -8.345 -4.014 -2.157 1.00 0.00 C ATOM 886 SG CYS A 60 -8.336 -2.827 -3.539 1.00 0.00 S ATOM 0 H CYS A 60 -7.854 -5.379 -0.164 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.119 -2.808 -0.865 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.613 -4.796 -2.359 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.322 -4.496 -2.112 1.00 0.00 H new ATOM 891 N PRO A 61 -8.841 -1.162 -0.217 1.00 0.00 N ATOM 892 CA PRO A 61 -9.817 -0.139 0.172 1.00 0.00 C ATOM 893 C PRO A 61 -10.815 0.164 -0.940 1.00 0.00 C ATOM 894 O PRO A 61 -11.966 0.513 -0.677 1.00 0.00 O ATOM 895 CB PRO A 61 -8.948 1.088 0.460 1.00 0.00 C ATOM 896 CG PRO A 61 -7.719 0.882 -0.356 1.00 0.00 C ATOM 897 CD PRO A 61 -7.490 -0.604 -0.391 1.00 0.00 C ATOM 0 HA PRO A 61 -10.425 -0.457 1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.459 2.009 0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.710 1.165 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.847 1.281 -1.362 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.866 1.398 0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.043 -0.920 -1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.817 -0.926 0.404 1.00 0.00 H new ATOM 905 N TYR A 62 -10.367 0.027 -2.183 1.00 0.00 N ATOM 906 CA TYR A 62 -11.221 0.288 -3.336 1.00 0.00 C ATOM 907 C TYR A 62 -12.598 -0.340 -3.147 1.00 0.00 C ATOM 908 O TYR A 62 -12.826 -1.091 -2.198 1.00 0.00 O ATOM 909 CB TYR A 62 -10.572 -0.255 -4.611 1.00 0.00 C ATOM 910 CG TYR A 62 -10.625 0.709 -5.774 1.00 0.00 C ATOM 911 CD1 TYR A 62 -10.150 2.009 -5.647 1.00 0.00 C ATOM 912 CD2 TYR A 62 -11.151 0.321 -7.000 1.00 0.00 C ATOM 913 CE1 TYR A 62 -10.197 2.894 -6.707 1.00 0.00 C ATOM 914 CE2 TYR A 62 -11.200 1.198 -8.066 1.00 0.00 C ATOM 915 CZ TYR A 62 -10.722 2.483 -7.915 1.00 0.00 C ATOM 916 OH TYR A 62 -10.771 3.361 -8.974 1.00 0.00 O ATOM 0 H TYR A 62 -9.418 -0.263 -2.418 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.343 1.367 -3.429 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.531 -0.502 -4.402 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.069 -1.182 -4.895 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.737 2.333 -4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.528 -0.684 -7.122 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.825 3.901 -6.591 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.610 0.879 -9.013 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.168 2.915 -9.751 1.00 0.00 H new ATOM 926 N ASP A 63 -13.514 -0.027 -4.057 1.00 0.00 N ATOM 927 CA ASP A 63 -14.870 -0.560 -3.993 1.00 0.00 C ATOM 928 C ASP A 63 -15.322 -1.061 -5.361 1.00 0.00 C ATOM 929 O ASP A 63 -16.437 -1.559 -5.514 1.00 0.00 O ATOM 930 CB ASP A 63 -15.837 0.508 -3.482 1.00 0.00 C ATOM 931 CG ASP A 63 -15.170 1.490 -2.539 1.00 0.00 C ATOM 932 OD1 ASP A 63 -14.311 2.269 -3.004 1.00 0.00 O ATOM 933 OD2 ASP A 63 -15.507 1.481 -1.337 1.00 0.00 O ATOM 0 H ASP A 63 -13.342 0.593 -4.848 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.871 -1.401 -3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.256 1.050 -4.330 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -16.669 0.025 -2.970 1.00 0.00 H new ATOM 938 N TYR A 64 -14.449 -0.924 -6.353 1.00 0.00 N ATOM 939 CA TYR A 64 -14.760 -1.358 -7.710 1.00 0.00 C ATOM 940 C TYR A 64 -15.618 -2.620 -7.695 1.00 0.00 C ATOM 941 O TYR A 64 -16.587 -2.736 -8.445 1.00 0.00 O ATOM 942 CB TYR A 64 -13.471 -1.614 -8.494 1.00 0.00 C ATOM 943 CG TYR A 64 -12.672 -2.790 -7.979 1.00 0.00 C ATOM 944 CD1 TYR A 64 -12.267 -2.852 -6.652 1.00 0.00 C ATOM 945 CD2 TYR A 64 -12.324 -3.839 -8.820 1.00 0.00 C ATOM 946 CE1 TYR A 64 -11.536 -3.924 -6.178 1.00 0.00 C ATOM 947 CE2 TYR A 64 -11.595 -4.916 -8.354 1.00 0.00 C ATOM 948 CZ TYR A 64 -11.203 -4.954 -7.032 1.00 0.00 C ATOM 949 OH TYR A 64 -10.476 -6.024 -6.564 1.00 0.00 O ATOM 0 H TYR A 64 -13.521 -0.516 -6.243 1.00 0.00 H new ATOM 0 HA TYR A 64 -15.323 -0.563 -8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.721 -1.786 -9.541 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -12.850 -0.719 -8.457 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.528 -2.048 -5.979 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.628 -3.812 -9.856 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.227 -3.955 -5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.333 -5.724 -9.021 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.327 -6.662 -7.293 1.00 0.00 H new ATOM 959 N LYS A 65 -15.254 -3.564 -6.834 1.00 0.00 N ATOM 960 CA LYS A 65 -15.989 -4.818 -6.717 1.00 0.00 C ATOM 961 C LYS A 65 -17.468 -4.613 -7.031 1.00 0.00 C ATOM 962 O LYS A 65 -18.083 -5.424 -7.722 1.00 0.00 O ATOM 963 CB LYS A 65 -15.831 -5.397 -5.309 1.00 0.00 C ATOM 964 CG LYS A 65 -16.367 -4.490 -4.215 1.00 0.00 C ATOM 965 CD LYS A 65 -16.004 -5.008 -2.833 1.00 0.00 C ATOM 966 CE LYS A 65 -15.905 -3.876 -1.822 1.00 0.00 C ATOM 967 NZ LYS A 65 -17.227 -3.554 -1.217 1.00 0.00 N ATOM 0 H LYS A 65 -14.454 -3.484 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.576 -5.521 -7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.347 -6.356 -5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.775 -5.593 -5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -15.965 -3.485 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -17.451 -4.414 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.755 -5.727 -2.504 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.053 -5.539 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -15.203 -4.153 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.503 -2.988 -2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -17.116 -2.778 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -17.890 -3.265 -1.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -17.599 -4.394 -0.729 1.00 0.00 H new ATOM 981 N ALA A 66 -18.031 -3.524 -6.518 1.00 0.00 N ATOM 982 CA ALA A 66 -19.436 -3.211 -6.747 1.00 0.00 C ATOM 983 C ALA A 66 -19.610 -1.763 -7.194 1.00 0.00 C ATOM 984 O ALA A 66 -20.216 -1.494 -8.230 1.00 0.00 O ATOM 985 CB ALA A 66 -20.248 -3.478 -5.488 1.00 0.00 C ATOM 0 H ALA A 66 -17.536 -2.844 -5.941 1.00 0.00 H new ATOM 0 HA ALA A 66 -19.801 -3.857 -7.546 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -21.295 -3.240 -5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -20.158 -4.529 -5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.873 -2.857 -4.675 1.00 0.00 H new ATOM 991 N GLU A 67 -19.076 -0.837 -6.405 1.00 0.00 N ATOM 992 CA GLU A 67 -19.175 0.584 -6.720 1.00 0.00 C ATOM 993 C GLU A 67 -20.481 0.890 -7.447 1.00 0.00 C ATOM 994 O GLU A 67 -20.501 1.645 -8.418 1.00 0.00 O ATOM 995 CB GLU A 67 -17.986 1.022 -7.578 1.00 0.00 C ATOM 996 CG GLU A 67 -17.856 0.248 -8.879 1.00 0.00 C ATOM 997 CD GLU A 67 -17.251 1.078 -9.994 1.00 0.00 C ATOM 998 OE1 GLU A 67 -17.569 2.283 -10.075 1.00 0.00 O ATOM 999 OE2 GLU A 67 -16.461 0.523 -10.787 1.00 0.00 O ATOM 0 H GLU A 67 -18.571 -1.044 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.162 1.140 -5.783 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.084 2.084 -7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.069 0.903 -7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.238 -0.635 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.840 -0.105 -9.187 1.00 0.00 H new ATOM 1006 N ALA A 68 -21.571 0.297 -6.969 1.00 0.00 N ATOM 1007 CA ALA A 68 -22.881 0.507 -7.572 1.00 0.00 C ATOM 1008 C ALA A 68 -23.078 1.967 -7.963 1.00 0.00 C ATOM 1009 O ALA A 68 -23.474 2.271 -9.088 1.00 0.00 O ATOM 1010 CB ALA A 68 -23.978 0.061 -6.616 1.00 0.00 C ATOM 0 H ALA A 68 -21.572 -0.332 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 68 -22.937 -0.094 -8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -24.952 0.223 -7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -23.855 -0.998 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -23.914 0.638 -5.694 1.00 0.00 H new ATOM 1016 N SER A 69 -22.800 2.868 -7.026 1.00 0.00 N ATOM 1017 CA SER A 69 -22.951 4.298 -7.271 1.00 0.00 C ATOM 1018 C SER A 69 -21.632 4.913 -7.728 1.00 0.00 C ATOM 1019 O SER A 69 -20.581 4.663 -7.140 1.00 0.00 O ATOM 1020 CB SER A 69 -23.447 5.004 -6.008 1.00 0.00 C ATOM 1021 OG SER A 69 -22.634 4.682 -4.892 1.00 0.00 O ATOM 0 H SER A 69 -22.469 2.633 -6.090 1.00 0.00 H new ATOM 0 HA SER A 69 -23.687 4.430 -8.064 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.444 6.083 -6.165 1.00 0.00 H new ATOM 0 HB3 SER A 69 -24.478 4.714 -5.807 1.00 0.00 H new ATOM 0 HG SER A 69 -21.711 4.543 -5.189 1.00 0.00 H new ATOM 1027 N GLY A 70 -21.696 5.721 -8.783 1.00 0.00 N ATOM 1028 CA GLY A 70 -20.501 6.360 -9.301 1.00 0.00 C ATOM 1029 C GLY A 70 -19.771 5.493 -10.308 1.00 0.00 C ATOM 1030 O GLY A 70 -18.967 4.632 -9.951 1.00 0.00 O ATOM 0 H GLY A 70 -22.554 5.944 -9.287 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -20.772 7.306 -9.770 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -19.831 6.595 -8.474 1.00 0.00 H new ATOM 1034 N PRO A 71 -20.051 5.717 -11.601 1.00 0.00 N ATOM 1035 CA PRO A 71 -19.426 4.959 -12.689 1.00 0.00 C ATOM 1036 C PRO A 71 -17.947 5.290 -12.851 1.00 0.00 C ATOM 1037 O PRO A 71 -17.230 4.626 -13.600 1.00 0.00 O ATOM 1038 CB PRO A 71 -20.212 5.401 -13.926 1.00 0.00 C ATOM 1039 CG PRO A 71 -20.735 6.752 -13.580 1.00 0.00 C ATOM 1040 CD PRO A 71 -20.999 6.727 -12.099 1.00 0.00 C ATOM 0 HA PRO A 71 -19.458 3.885 -12.508 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -19.573 5.438 -14.808 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -21.023 4.708 -14.148 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -20.012 7.527 -13.835 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -21.647 6.972 -14.135 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -20.824 7.702 -11.643 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -22.031 6.453 -11.879 1.00 0.00 H new ATOM 1048 N SER A 72 -17.495 6.321 -12.144 1.00 0.00 N ATOM 1049 CA SER A 72 -16.101 6.742 -12.212 1.00 0.00 C ATOM 1050 C SER A 72 -15.512 6.903 -10.814 1.00 0.00 C ATOM 1051 O SER A 72 -14.464 6.339 -10.501 1.00 0.00 O ATOM 1052 CB SER A 72 -15.981 8.059 -12.982 1.00 0.00 C ATOM 1053 OG SER A 72 -16.397 7.902 -14.328 1.00 0.00 O ATOM 0 H SER A 72 -18.074 6.880 -11.518 1.00 0.00 H new ATOM 0 HA SER A 72 -15.540 5.969 -12.737 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.588 8.824 -12.497 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.948 8.407 -12.955 1.00 0.00 H new ATOM 0 HG SER A 72 -16.313 8.758 -14.798 1.00 0.00 H new ATOM 1059 N SER A 73 -16.196 7.677 -9.976 1.00 0.00 N ATOM 1060 CA SER A 73 -15.741 7.916 -8.612 1.00 0.00 C ATOM 1061 C SER A 73 -16.876 7.702 -7.615 1.00 0.00 C ATOM 1062 O SER A 73 -17.815 8.494 -7.547 1.00 0.00 O ATOM 1063 CB SER A 73 -15.189 9.337 -8.477 1.00 0.00 C ATOM 1064 OG SER A 73 -14.482 9.496 -7.260 1.00 0.00 O ATOM 0 H SER A 73 -17.067 8.149 -10.219 1.00 0.00 H new ATOM 0 HA SER A 73 -14.947 7.203 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 73 -14.528 9.555 -9.316 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.008 10.054 -8.522 1.00 0.00 H new ATOM 0 HG SER A 73 -14.138 10.412 -7.199 1.00 0.00 H new ATOM 1070 N GLY A 74 -16.781 6.625 -6.842 1.00 0.00 N ATOM 1071 CA GLY A 74 -17.805 6.325 -5.858 1.00 0.00 C ATOM 1072 C GLY A 74 -18.056 7.481 -4.911 1.00 0.00 C ATOM 1073 O GLY A 74 -17.710 7.377 -3.735 1.00 0.00 O ATOM 0 H GLY A 74 -16.013 5.955 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -18.733 6.071 -6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.507 5.448 -5.284 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 3.138 -9.302 -2.019 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -6.000 -2.806 -3.988 1.00 0.00 ZN