USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 13 HIS : no HD1:sc= -2.63! K(o=-2.8!,f=-0.94) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= -0.143 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0398 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00963 USER MOD Single : A 3 SER OG : rot 19:sc= 0.832 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 1.04 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0243 X(o=-0.024,f=-0.38) USER MOD Single : A 11 LYS NZ :NH3+ -154:sc= -0.0895 (180deg=-0.444) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.8) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.438 K(o=-0.44,f=-3.9!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.381 X(o=-0.38,f=-0.73) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0.0261 X(o=0.026,f=-0.35) USER MOD Single : A 52 ASN : amide:sc= -0.828 X(o=-0.83,f=-1.3) USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.0246 (180deg=-0.268) USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.254) USER MOD Single : A 62 LYS NZ :NH3+ -112:sc= -1.11 (180deg=-3.13!) USER MOD Single : A 68 THR OG1 : rot -49:sc= 0.842 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.586 -5.498 -23.304 1.00 0.00 N ATOM 2 CA GLY A 1 -24.229 -6.005 -23.397 1.00 0.00 C ATOM 3 C GLY A 1 -23.272 -5.271 -22.479 1.00 0.00 C ATOM 4 O GLY A 1 -23.521 -4.128 -22.097 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.197 -6.219 -22.870 1.00 0.00 H new ATOM 0 H2 GLY A 1 -25.596 -4.638 -22.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.939 -5.273 -24.256 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.223 -7.066 -23.149 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.881 -5.916 -24.426 1.00 0.00 H new ATOM 8 N SER A 2 -22.173 -5.929 -22.123 1.00 0.00 N ATOM 9 CA SER A 2 -21.177 -5.333 -21.240 1.00 0.00 C ATOM 10 C SER A 2 -19.769 -5.541 -21.791 1.00 0.00 C ATOM 11 O SER A 2 -19.570 -6.286 -22.751 1.00 0.00 O ATOM 12 CB SER A 2 -21.282 -5.936 -19.839 1.00 0.00 C ATOM 13 OG SER A 2 -20.582 -5.149 -18.891 1.00 0.00 O ATOM 0 H SER A 2 -21.950 -6.875 -22.433 1.00 0.00 H new ATOM 0 HA SER A 2 -21.372 -4.262 -21.183 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.330 -6.012 -19.550 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.879 -6.949 -19.844 1.00 0.00 H new ATOM 0 HG SER A 2 -20.666 -5.555 -18.003 1.00 0.00 H new ATOM 19 N SER A 3 -18.796 -4.875 -21.177 1.00 0.00 N ATOM 20 CA SER A 3 -17.407 -4.982 -21.608 1.00 0.00 C ATOM 21 C SER A 3 -16.457 -4.581 -20.483 1.00 0.00 C ATOM 22 O SER A 3 -16.889 -4.133 -19.421 1.00 0.00 O ATOM 23 CB SER A 3 -17.162 -4.105 -22.836 1.00 0.00 C ATOM 24 OG SER A 3 -17.612 -4.744 -24.018 1.00 0.00 O ATOM 0 H SER A 3 -18.944 -4.256 -20.380 1.00 0.00 H new ATOM 0 HA SER A 3 -17.213 -6.022 -21.870 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.678 -3.152 -22.715 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.098 -3.883 -22.922 1.00 0.00 H new ATOM 0 HG SER A 3 -18.245 -5.455 -23.785 1.00 0.00 H new ATOM 30 N GLY A 4 -15.160 -4.743 -20.725 1.00 0.00 N ATOM 31 CA GLY A 4 -14.170 -4.394 -19.725 1.00 0.00 C ATOM 32 C GLY A 4 -12.913 -5.236 -19.833 1.00 0.00 C ATOM 33 O GLY A 4 -12.966 -6.459 -19.702 1.00 0.00 O ATOM 0 H GLY A 4 -14.778 -5.110 -21.597 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.908 -3.341 -19.830 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.602 -4.518 -18.732 1.00 0.00 H new ATOM 37 N SER A 5 -11.782 -4.582 -20.075 1.00 0.00 N ATOM 38 CA SER A 5 -10.508 -5.279 -20.205 1.00 0.00 C ATOM 39 C SER A 5 -9.364 -4.425 -19.669 1.00 0.00 C ATOM 40 O SER A 5 -9.507 -3.216 -19.491 1.00 0.00 O ATOM 41 CB SER A 5 -10.249 -5.640 -21.669 1.00 0.00 C ATOM 42 OG SER A 5 -10.295 -4.489 -22.494 1.00 0.00 O ATOM 0 H SER A 5 -11.722 -3.570 -20.185 1.00 0.00 H new ATOM 0 HA SER A 5 -10.560 -6.195 -19.616 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.274 -6.119 -21.762 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.992 -6.362 -22.006 1.00 0.00 H new ATOM 0 HG SER A 5 -10.125 -4.746 -23.424 1.00 0.00 H new ATOM 48 N SER A 6 -8.226 -5.064 -19.414 1.00 0.00 N ATOM 49 CA SER A 6 -7.057 -4.365 -18.894 1.00 0.00 C ATOM 50 C SER A 6 -5.804 -5.225 -19.034 1.00 0.00 C ATOM 51 O SER A 6 -5.881 -6.404 -19.374 1.00 0.00 O ATOM 52 CB SER A 6 -7.271 -3.989 -17.426 1.00 0.00 C ATOM 53 OG SER A 6 -7.912 -2.732 -17.310 1.00 0.00 O ATOM 0 H SER A 6 -8.089 -6.064 -19.559 1.00 0.00 H new ATOM 0 HA SER A 6 -6.919 -3.455 -19.477 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.873 -4.754 -16.935 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.311 -3.960 -16.911 1.00 0.00 H new ATOM 0 HG SER A 6 -8.556 -2.625 -18.041 1.00 0.00 H new ATOM 59 N GLY A 7 -4.649 -4.623 -18.767 1.00 0.00 N ATOM 60 CA GLY A 7 -3.394 -5.347 -18.867 1.00 0.00 C ATOM 61 C GLY A 7 -2.194 -4.423 -18.916 1.00 0.00 C ATOM 62 O GLY A 7 -1.992 -3.706 -19.896 1.00 0.00 O ATOM 0 H GLY A 7 -4.559 -3.647 -18.483 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.297 -6.019 -18.014 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.407 -5.968 -19.762 1.00 0.00 H new ATOM 66 N LYS A 8 -1.395 -4.438 -17.855 1.00 0.00 N ATOM 67 CA LYS A 8 -0.208 -3.595 -17.778 1.00 0.00 C ATOM 68 C LYS A 8 0.919 -4.307 -17.037 1.00 0.00 C ATOM 69 O LYS A 8 0.720 -5.384 -16.474 1.00 0.00 O ATOM 70 CB LYS A 8 -0.538 -2.274 -17.078 1.00 0.00 C ATOM 71 CG LYS A 8 -1.475 -1.383 -17.874 1.00 0.00 C ATOM 72 CD LYS A 8 -0.817 -0.877 -19.147 1.00 0.00 C ATOM 73 CE LYS A 8 -1.675 0.172 -19.839 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.503 1.520 -19.229 1.00 0.00 N ATOM 0 H LYS A 8 -1.548 -5.026 -17.035 1.00 0.00 H new ATOM 0 HA LYS A 8 0.124 -3.387 -18.795 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.989 -2.488 -16.109 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.388 -1.733 -16.885 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.379 -1.938 -18.126 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.782 -0.536 -17.260 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.158 -0.452 -18.910 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.644 -1.712 -19.825 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.413 0.216 -20.896 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.723 -0.121 -19.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.104 2.206 -19.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.777 1.485 -18.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.508 1.811 -19.306 1.00 0.00 H new ATOM 88 N GLN A 9 2.101 -3.699 -17.039 1.00 0.00 N ATOM 89 CA GLN A 9 3.258 -4.276 -16.366 1.00 0.00 C ATOM 90 C GLN A 9 3.290 -3.871 -14.896 1.00 0.00 C ATOM 91 O GLN A 9 2.954 -2.740 -14.547 1.00 0.00 O ATOM 92 CB GLN A 9 4.550 -3.836 -17.057 1.00 0.00 C ATOM 93 CG GLN A 9 5.715 -4.784 -16.830 1.00 0.00 C ATOM 94 CD GLN A 9 6.799 -4.639 -17.880 1.00 0.00 C ATOM 95 OE1 GLN A 9 6.519 -4.607 -19.078 1.00 0.00 O ATOM 96 NE2 GLN A 9 8.047 -4.549 -17.434 1.00 0.00 N ATOM 0 H GLN A 9 2.282 -2.807 -17.499 1.00 0.00 H new ATOM 0 HA GLN A 9 3.176 -5.361 -16.424 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.367 -3.748 -18.128 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.824 -2.844 -16.698 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.142 -4.599 -15.844 1.00 0.00 H new ATOM 0 HG3 GLN A 9 5.349 -5.811 -16.831 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.234 -4.580 -16.432 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.818 -4.449 -18.094 1.00 0.00 H new ATOM 105 N ALA A 10 3.697 -4.803 -14.039 1.00 0.00 N ATOM 106 CA ALA A 10 3.774 -4.541 -12.607 1.00 0.00 C ATOM 107 C ALA A 10 4.616 -5.599 -11.902 1.00 0.00 C ATOM 108 O ALA A 10 5.147 -6.511 -12.537 1.00 0.00 O ATOM 109 CB ALA A 10 2.379 -4.486 -12.004 1.00 0.00 C ATOM 0 H ALA A 10 3.978 -5.745 -14.312 1.00 0.00 H new ATOM 0 HA ALA A 10 4.257 -3.574 -12.464 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.452 -4.290 -10.934 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.808 -3.689 -12.481 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.876 -5.439 -12.164 1.00 0.00 H new ATOM 115 N LYS A 11 4.736 -5.471 -10.585 1.00 0.00 N ATOM 116 CA LYS A 11 5.513 -6.416 -9.791 1.00 0.00 C ATOM 117 C LYS A 11 4.876 -6.629 -8.421 1.00 0.00 C ATOM 118 O LYS A 11 4.236 -5.728 -7.877 1.00 0.00 O ATOM 119 CB LYS A 11 6.949 -5.913 -9.625 1.00 0.00 C ATOM 120 CG LYS A 11 7.059 -4.653 -8.785 1.00 0.00 C ATOM 121 CD LYS A 11 8.330 -3.882 -9.101 1.00 0.00 C ATOM 122 CE LYS A 11 8.144 -2.387 -8.889 1.00 0.00 C ATOM 123 NZ LYS A 11 7.177 -1.806 -9.862 1.00 0.00 N ATOM 0 H LYS A 11 4.305 -4.721 -10.044 1.00 0.00 H new ATOM 0 HA LYS A 11 5.527 -7.370 -10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.549 -6.699 -9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.374 -5.721 -10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.192 -4.017 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.046 -4.917 -7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.142 -4.242 -8.468 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.623 -4.070 -10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.792 -2.205 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.106 -1.884 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.387 -0.797 -9.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.258 -2.304 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.210 -1.912 -9.495 1.00 0.00 H new ATOM 137 N ILE A 12 5.058 -7.823 -7.869 1.00 0.00 N ATOM 138 CA ILE A 12 4.503 -8.153 -6.562 1.00 0.00 C ATOM 139 C ILE A 12 5.590 -8.175 -5.493 1.00 0.00 C ATOM 140 O ILE A 12 6.664 -8.743 -5.697 1.00 0.00 O ATOM 141 CB ILE A 12 3.789 -9.517 -6.581 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.774 -9.571 -7.724 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.106 -9.776 -5.247 1.00 0.00 C ATOM 144 CD1 ILE A 12 1.946 -10.836 -7.739 1.00 0.00 C ATOM 0 H ILE A 12 5.586 -8.579 -8.306 1.00 0.00 H new ATOM 0 HA ILE A 12 3.777 -7.376 -6.322 1.00 0.00 H new ATOM 0 HB ILE A 12 4.533 -10.297 -6.744 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.108 -8.712 -7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.303 -9.482 -8.673 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.606 -10.744 -5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.851 -9.776 -4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.371 -8.994 -5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.249 -10.804 -8.576 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.603 -11.699 -7.846 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.389 -10.917 -6.806 1.00 0.00 H new ATOM 156 N HIS A 13 5.303 -7.556 -4.353 1.00 0.00 N ATOM 157 CA HIS A 13 6.256 -7.507 -3.249 1.00 0.00 C ATOM 158 C HIS A 13 5.964 -8.604 -2.229 1.00 0.00 C ATOM 159 O HIS A 13 5.016 -8.503 -1.450 1.00 0.00 O ATOM 160 CB HIS A 13 6.213 -6.138 -2.570 1.00 0.00 C ATOM 161 CG HIS A 13 6.214 -4.991 -3.534 1.00 0.00 C ATOM 162 ND1 HIS A 13 7.025 -3.886 -3.387 1.00 0.00 N ATOM 163 CD2 HIS A 13 5.498 -4.783 -4.663 1.00 0.00 C ATOM 164 CE1 HIS A 13 6.806 -3.047 -4.383 1.00 0.00 C ATOM 165 NE2 HIS A 13 5.884 -3.568 -5.173 1.00 0.00 N ATOM 0 H HIS A 13 4.419 -7.081 -4.169 1.00 0.00 H new ATOM 0 HA HIS A 13 7.254 -7.671 -3.656 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.320 -6.078 -1.948 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.072 -6.044 -1.905 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.760 -5.449 -5.085 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.297 -2.096 -4.527 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.519 -3.138 -6.023 1.00 0.00 H new ATOM 173 N TYR A 14 6.783 -9.649 -2.240 1.00 0.00 N ATOM 174 CA TYR A 14 6.609 -10.765 -1.319 1.00 0.00 C ATOM 175 C TYR A 14 7.117 -10.406 0.074 1.00 0.00 C ATOM 176 O TYR A 14 7.884 -11.154 0.679 1.00 0.00 O ATOM 177 CB TYR A 14 7.345 -12.002 -1.839 1.00 0.00 C ATOM 178 CG TYR A 14 6.932 -12.411 -3.234 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.592 -12.575 -3.563 1.00 0.00 C ATOM 180 CD2 TYR A 14 7.882 -12.632 -4.224 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.210 -12.949 -4.837 1.00 0.00 C ATOM 182 CE2 TYR A 14 7.508 -13.006 -5.501 1.00 0.00 C ATOM 183 CZ TYR A 14 6.172 -13.164 -5.802 1.00 0.00 C ATOM 184 OH TYR A 14 5.795 -13.535 -7.072 1.00 0.00 O ATOM 0 H TYR A 14 7.574 -9.747 -2.877 1.00 0.00 H new ATOM 0 HA TYR A 14 5.544 -10.985 -1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.417 -11.807 -1.829 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.166 -12.834 -1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.836 -12.407 -2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.930 -12.510 -3.992 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.164 -13.072 -5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.259 -13.174 -6.259 1.00 0.00 H new ATOM 0 HH TYR A 14 6.592 -13.645 -7.631 1.00 0.00 H new ATOM 194 N ILE A 15 6.681 -9.255 0.576 1.00 0.00 N ATOM 195 CA ILE A 15 7.089 -8.797 1.898 1.00 0.00 C ATOM 196 C ILE A 15 6.207 -9.401 2.986 1.00 0.00 C ATOM 197 O ILE A 15 5.008 -9.600 2.790 1.00 0.00 O ATOM 198 CB ILE A 15 7.034 -7.261 2.002 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.367 -6.651 1.564 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.694 -6.838 3.425 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.409 -6.281 0.098 1.00 0.00 C ATOM 0 H ILE A 15 6.046 -8.624 0.088 1.00 0.00 H new ATOM 0 HA ILE A 15 8.118 -9.127 2.043 1.00 0.00 H new ATOM 0 HB ILE A 15 6.252 -6.894 1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.563 -5.760 2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.168 -7.359 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.659 -5.750 3.483 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.723 -7.248 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.456 -7.213 4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.383 -5.855 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.244 -7.172 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.630 -5.549 -0.115 1.00 0.00 H new ATOM 213 N LYS A 16 6.807 -9.687 4.136 1.00 0.00 N ATOM 214 CA LYS A 16 6.078 -10.266 5.258 1.00 0.00 C ATOM 215 C LYS A 16 5.092 -11.326 4.778 1.00 0.00 C ATOM 216 O LYS A 16 4.019 -11.495 5.354 1.00 0.00 O ATOM 217 CB LYS A 16 5.333 -9.172 6.026 1.00 0.00 C ATOM 218 CG LYS A 16 6.248 -8.109 6.610 1.00 0.00 C ATOM 219 CD LYS A 16 6.759 -8.507 7.984 1.00 0.00 C ATOM 220 CE LYS A 16 7.981 -7.692 8.382 1.00 0.00 C ATOM 221 NZ LYS A 16 8.892 -8.459 9.277 1.00 0.00 N ATOM 0 H LYS A 16 7.798 -9.527 4.316 1.00 0.00 H new ATOM 0 HA LYS A 16 6.800 -10.741 5.922 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.616 -8.695 5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.761 -9.631 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.092 -7.946 5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.710 -7.164 6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.970 -8.365 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.011 -9.567 7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.523 -7.389 7.486 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.661 -6.780 8.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.712 -7.869 9.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.383 -8.727 10.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.218 -9.317 8.788 1.00 0.00 H new ATOM 235 N ASN A 17 5.465 -12.037 3.719 1.00 0.00 N ATOM 236 CA ASN A 17 4.612 -13.081 3.162 1.00 0.00 C ATOM 237 C ASN A 17 3.316 -12.493 2.615 1.00 0.00 C ATOM 238 O ASN A 17 2.240 -13.063 2.791 1.00 0.00 O ATOM 239 CB ASN A 17 4.298 -14.135 4.227 1.00 0.00 C ATOM 240 CG ASN A 17 5.307 -15.267 4.236 1.00 0.00 C ATOM 241 OD1 ASN A 17 6.502 -15.046 4.430 1.00 0.00 O ATOM 242 ND2 ASN A 17 4.828 -16.488 4.026 1.00 0.00 N ATOM 0 H ASN A 17 6.351 -11.910 3.230 1.00 0.00 H new ATOM 0 HA ASN A 17 5.150 -13.553 2.340 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.279 -13.661 5.208 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.302 -14.541 4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.459 -17.289 4.021 1.00 0.00 H new ATOM 0 HD22 ASN A 17 3.829 -16.624 3.870 1.00 0.00 H new ATOM 249 N HIS A 18 3.427 -11.347 1.950 1.00 0.00 N ATOM 250 CA HIS A 18 2.265 -10.679 1.376 1.00 0.00 C ATOM 251 C HIS A 18 2.400 -10.559 -0.139 1.00 0.00 C ATOM 252 O HIS A 18 3.372 -11.036 -0.723 1.00 0.00 O ATOM 253 CB HIS A 18 2.088 -9.292 1.995 1.00 0.00 C ATOM 254 CG HIS A 18 1.367 -9.310 3.308 1.00 0.00 C ATOM 255 ND1 HIS A 18 0.000 -9.161 3.417 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.830 -9.462 4.570 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.347 -9.218 4.691 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.745 -9.401 5.411 1.00 0.00 N ATOM 0 H HIS A 18 4.311 -10.862 1.796 1.00 0.00 H new ATOM 0 HA HIS A 18 1.385 -11.282 1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.069 -8.838 2.135 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.540 -8.659 1.297 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.860 -9.605 4.862 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.352 -9.130 5.077 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.778 -9.484 6.427 1.00 0.00 H new ATOM 266 N GLU A 19 1.417 -9.922 -0.768 1.00 0.00 N ATOM 267 CA GLU A 19 1.427 -9.742 -2.214 1.00 0.00 C ATOM 268 C GLU A 19 1.204 -8.278 -2.583 1.00 0.00 C ATOM 269 O GLU A 19 0.671 -7.969 -3.648 1.00 0.00 O ATOM 270 CB GLU A 19 0.350 -10.613 -2.866 1.00 0.00 C ATOM 271 CG GLU A 19 0.819 -12.022 -3.187 1.00 0.00 C ATOM 272 CD GLU A 19 1.129 -12.832 -1.943 1.00 0.00 C ATOM 273 OE1 GLU A 19 0.362 -12.730 -0.963 1.00 0.00 O ATOM 274 OE2 GLU A 19 2.138 -13.567 -1.951 1.00 0.00 O ATOM 0 H GLU A 19 0.604 -9.522 -0.299 1.00 0.00 H new ATOM 0 HA GLU A 19 2.406 -10.047 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.512 -10.669 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.013 -10.133 -3.785 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.050 -12.533 -3.767 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.709 -11.970 -3.814 1.00 0.00 H new ATOM 281 N PHE A 20 1.615 -7.381 -1.691 1.00 0.00 N ATOM 282 CA PHE A 20 1.460 -5.949 -1.922 1.00 0.00 C ATOM 283 C PHE A 20 1.784 -5.592 -3.368 1.00 0.00 C ATOM 284 O PHE A 20 2.933 -5.687 -3.800 1.00 0.00 O ATOM 285 CB PHE A 20 2.365 -5.159 -0.974 1.00 0.00 C ATOM 286 CG PHE A 20 2.067 -5.398 0.479 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.795 -5.178 0.984 1.00 0.00 C ATOM 288 CD2 PHE A 20 3.057 -5.843 1.339 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.519 -5.396 2.320 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.787 -6.062 2.677 1.00 0.00 C ATOM 291 CZ PHE A 20 1.515 -5.840 3.168 1.00 0.00 C ATOM 0 H PHE A 20 2.057 -7.620 -0.803 1.00 0.00 H new ATOM 0 HA PHE A 20 0.421 -5.685 -1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.404 -5.424 -1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.261 -4.095 -1.188 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.011 -4.832 0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.052 -6.021 0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.476 -5.219 2.702 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.569 -6.406 3.337 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.300 -6.013 4.212 1.00 0.00 H new ATOM 301 N ILE A 21 0.762 -5.183 -4.114 1.00 0.00 N ATOM 302 CA ILE A 21 0.938 -4.812 -5.511 1.00 0.00 C ATOM 303 C ILE A 21 0.732 -3.314 -5.712 1.00 0.00 C ATOM 304 O ILE A 21 -0.278 -2.754 -5.289 1.00 0.00 O ATOM 305 CB ILE A 21 -0.037 -5.579 -6.425 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.473 -6.999 -6.673 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.222 -4.839 -7.742 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.226 -7.702 -7.815 1.00 0.00 C ATOM 0 H ILE A 21 -0.196 -5.101 -3.773 1.00 0.00 H new ATOM 0 HA ILE A 21 1.961 -5.076 -5.781 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.005 -5.642 -5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.542 -6.961 -6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.346 -7.586 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.913 -5.393 -8.377 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.625 -3.845 -7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.740 -4.748 -8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.187 -8.704 -7.933 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.292 -7.772 -7.601 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.077 -7.137 -8.735 1.00 0.00 H new ATOM 320 N ALA A 22 1.697 -2.671 -6.362 1.00 0.00 N ATOM 321 CA ALA A 22 1.622 -1.239 -6.622 1.00 0.00 C ATOM 322 C ALA A 22 0.269 -0.861 -7.217 1.00 0.00 C ATOM 323 O ALA A 22 -0.098 -1.325 -8.297 1.00 0.00 O ATOM 324 CB ALA A 22 2.748 -0.811 -7.551 1.00 0.00 C ATOM 0 H ALA A 22 2.541 -3.120 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 22 1.732 -0.715 -5.672 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.679 0.261 -7.736 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.708 -1.038 -7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.665 -1.349 -8.496 1.00 0.00 H new ATOM 330 N THR A 23 -0.469 -0.015 -6.505 1.00 0.00 N ATOM 331 CA THR A 23 -1.782 0.425 -6.963 1.00 0.00 C ATOM 332 C THR A 23 -1.997 1.905 -6.672 1.00 0.00 C ATOM 333 O THR A 23 -1.456 2.444 -5.707 1.00 0.00 O ATOM 334 CB THR A 23 -2.909 -0.388 -6.297 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.138 -0.190 -7.005 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.084 0.021 -4.843 1.00 0.00 C ATOM 0 H THR A 23 -0.180 0.379 -5.610 1.00 0.00 H new ATOM 0 HA THR A 23 -1.814 0.262 -8.040 1.00 0.00 H new ATOM 0 HB THR A 23 -2.636 -1.443 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.849 -0.711 -6.577 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.885 -0.566 -4.394 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.155 -0.157 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.337 1.080 -4.791 1.00 0.00 H new ATOM 344 N PHE A 24 -2.793 2.558 -7.512 1.00 0.00 N ATOM 345 CA PHE A 24 -3.081 3.978 -7.345 1.00 0.00 C ATOM 346 C PHE A 24 -4.407 4.183 -6.618 1.00 0.00 C ATOM 347 O PHE A 24 -5.471 3.844 -7.137 1.00 0.00 O ATOM 348 CB PHE A 24 -3.120 4.676 -8.706 1.00 0.00 C ATOM 349 CG PHE A 24 -2.785 6.139 -8.640 1.00 0.00 C ATOM 350 CD1 PHE A 24 -1.533 6.557 -8.222 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.724 7.094 -8.995 1.00 0.00 C ATOM 352 CE1 PHE A 24 -1.221 7.902 -8.161 1.00 0.00 C ATOM 353 CE2 PHE A 24 -3.418 8.441 -8.936 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.165 8.846 -8.517 1.00 0.00 C ATOM 0 H PHE A 24 -3.250 2.127 -8.315 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.285 4.416 -6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.420 4.181 -9.379 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.114 4.558 -9.137 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.792 5.824 -7.940 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.705 6.783 -9.321 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.240 8.215 -7.835 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.158 9.176 -9.217 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.924 9.898 -8.468 1.00 0.00 H new ATOM 364 N PHE A 25 -4.335 4.738 -5.413 1.00 0.00 N ATOM 365 CA PHE A 25 -5.528 4.986 -4.613 1.00 0.00 C ATOM 366 C PHE A 25 -6.112 6.363 -4.920 1.00 0.00 C ATOM 367 O PHE A 25 -7.198 6.475 -5.487 1.00 0.00 O ATOM 368 CB PHE A 25 -5.199 4.882 -3.122 1.00 0.00 C ATOM 369 CG PHE A 25 -4.491 3.610 -2.753 1.00 0.00 C ATOM 370 CD1 PHE A 25 -5.090 2.379 -2.967 1.00 0.00 C ATOM 371 CD2 PHE A 25 -3.223 3.645 -2.192 1.00 0.00 C ATOM 372 CE1 PHE A 25 -4.440 1.208 -2.628 1.00 0.00 C ATOM 373 CE2 PHE A 25 -2.569 2.477 -1.850 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.177 1.256 -2.070 1.00 0.00 C ATOM 0 H PHE A 25 -3.463 5.025 -4.969 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.270 4.230 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.578 5.731 -2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.123 4.954 -2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -6.077 2.334 -3.404 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.741 4.596 -2.021 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -4.919 0.255 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.583 2.518 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.666 0.342 -1.806 1.00 0.00 H new ATOM 384 N GLY A 26 -5.383 7.407 -4.540 1.00 0.00 N ATOM 385 CA GLY A 26 -5.845 8.762 -4.783 1.00 0.00 C ATOM 386 C GLY A 26 -6.820 9.240 -3.726 1.00 0.00 C ATOM 387 O GLY A 26 -6.795 10.405 -3.332 1.00 0.00 O ATOM 0 H GLY A 26 -4.481 7.340 -4.068 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.988 9.435 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.323 8.810 -5.762 1.00 0.00 H new ATOM 391 N GLN A 27 -7.683 8.338 -3.269 1.00 0.00 N ATOM 392 CA GLN A 27 -8.673 8.676 -2.252 1.00 0.00 C ATOM 393 C GLN A 27 -8.143 8.373 -0.854 1.00 0.00 C ATOM 394 O GLN A 27 -7.238 7.559 -0.670 1.00 0.00 O ATOM 395 CB GLN A 27 -9.970 7.903 -2.498 1.00 0.00 C ATOM 396 CG GLN A 27 -10.831 8.495 -3.602 1.00 0.00 C ATOM 397 CD GLN A 27 -12.299 8.156 -3.442 1.00 0.00 C ATOM 398 OE1 GLN A 27 -12.659 7.232 -2.714 1.00 0.00 O ATOM 399 NE2 GLN A 27 -13.158 8.906 -4.125 1.00 0.00 N ATOM 0 H GLN A 27 -7.717 7.369 -3.586 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.877 9.745 -2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.726 6.872 -2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.547 7.875 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.711 9.578 -3.610 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.480 8.129 -4.567 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.816 9.663 -4.717 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.159 8.725 -4.057 1.00 0.00 H new ATOM 408 N PRO A 28 -8.720 9.042 0.155 1.00 0.00 N ATOM 409 CA PRO A 28 -8.322 8.860 1.555 1.00 0.00 C ATOM 410 C PRO A 28 -8.726 7.495 2.100 1.00 0.00 C ATOM 411 O PRO A 28 -9.769 7.353 2.737 1.00 0.00 O ATOM 412 CB PRO A 28 -9.078 9.973 2.285 1.00 0.00 C ATOM 413 CG PRO A 28 -10.259 10.258 1.423 1.00 0.00 C ATOM 414 CD PRO A 28 -9.804 10.027 0.008 1.00 0.00 C ATOM 0 HA PRO A 28 -7.240 8.907 1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.383 9.656 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.455 10.859 2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.094 9.604 1.676 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.604 11.283 1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.612 9.645 -0.617 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.450 10.948 -0.456 1.00 0.00 H new ATOM 422 N THR A 29 -7.892 6.490 1.846 1.00 0.00 N ATOM 423 CA THR A 29 -8.163 5.136 2.310 1.00 0.00 C ATOM 424 C THR A 29 -7.659 4.932 3.734 1.00 0.00 C ATOM 425 O THR A 29 -6.904 5.750 4.259 1.00 0.00 O ATOM 426 CB THR A 29 -7.511 4.086 1.391 1.00 0.00 C ATOM 427 OG1 THR A 29 -7.800 4.388 0.021 1.00 0.00 O ATOM 428 CG2 THR A 29 -8.012 2.689 1.725 1.00 0.00 C ATOM 0 H THR A 29 -7.023 6.590 1.321 1.00 0.00 H new ATOM 0 HA THR A 29 -9.245 5.005 2.288 1.00 0.00 H new ATOM 0 HB THR A 29 -6.433 4.115 1.549 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.381 3.717 -0.557 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.538 1.964 1.063 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.765 2.452 2.760 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.093 2.649 1.592 1.00 0.00 H new ATOM 436 N PHE A 30 -8.080 3.835 4.354 1.00 0.00 N ATOM 437 CA PHE A 30 -7.671 3.524 5.719 1.00 0.00 C ATOM 438 C PHE A 30 -6.511 2.532 5.726 1.00 0.00 C ATOM 439 O PHE A 30 -6.649 1.395 5.274 1.00 0.00 O ATOM 440 CB PHE A 30 -8.850 2.953 6.510 1.00 0.00 C ATOM 441 CG PHE A 30 -8.754 3.197 7.989 1.00 0.00 C ATOM 442 CD1 PHE A 30 -7.537 3.085 8.645 1.00 0.00 C ATOM 443 CD2 PHE A 30 -9.878 3.535 8.724 1.00 0.00 C ATOM 444 CE1 PHE A 30 -7.445 3.309 10.006 1.00 0.00 C ATOM 445 CE2 PHE A 30 -9.792 3.761 10.084 1.00 0.00 C ATOM 446 CZ PHE A 30 -8.574 3.647 10.727 1.00 0.00 C ATOM 0 H PHE A 30 -8.704 3.146 3.933 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.339 4.448 6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.775 3.393 6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.912 1.880 6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.652 2.820 8.086 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.833 3.623 8.228 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.491 3.220 10.505 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.676 4.027 10.645 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.505 3.822 11.791 1.00 0.00 H new ATOM 456 N CYS A 31 -5.369 2.972 6.242 1.00 0.00 N ATOM 457 CA CYS A 31 -4.183 2.125 6.308 1.00 0.00 C ATOM 458 C CYS A 31 -4.301 1.112 7.444 1.00 0.00 C ATOM 459 O CYS A 31 -5.117 1.273 8.351 1.00 0.00 O ATOM 460 CB CYS A 31 -2.929 2.980 6.501 1.00 0.00 C ATOM 461 SG CYS A 31 -1.376 2.030 6.517 1.00 0.00 S ATOM 0 H CYS A 31 -5.239 3.910 6.621 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.102 1.582 5.366 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.881 3.721 5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.017 3.528 7.439 1.00 0.00 H new ATOM 466 N SER A 32 -3.479 0.069 7.387 1.00 0.00 N ATOM 467 CA SER A 32 -3.492 -0.971 8.408 1.00 0.00 C ATOM 468 C SER A 32 -2.290 -0.836 9.337 1.00 0.00 C ATOM 469 O SER A 32 -2.385 -1.094 10.537 1.00 0.00 O ATOM 470 CB SER A 32 -3.494 -2.355 7.756 1.00 0.00 C ATOM 471 OG SER A 32 -3.322 -3.376 8.724 1.00 0.00 O ATOM 0 H SER A 32 -2.796 -0.078 6.644 1.00 0.00 H new ATOM 0 HA SER A 32 -4.400 -0.854 8.999 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.433 -2.508 7.224 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.696 -2.413 7.016 1.00 0.00 H new ATOM 0 HG SER A 32 -3.328 -4.251 8.282 1.00 0.00 H new ATOM 477 N VAL A 33 -1.156 -0.431 8.772 1.00 0.00 N ATOM 478 CA VAL A 33 0.066 -0.259 9.549 1.00 0.00 C ATOM 479 C VAL A 33 -0.026 0.961 10.458 1.00 0.00 C ATOM 480 O VAL A 33 -0.111 0.834 11.680 1.00 0.00 O ATOM 481 CB VAL A 33 1.296 -0.113 8.634 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.509 0.334 9.437 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.579 -1.420 7.909 1.00 0.00 C ATOM 0 H VAL A 33 -1.059 -0.216 7.780 1.00 0.00 H new ATOM 0 HA VAL A 33 0.181 -1.154 10.160 1.00 0.00 H new ATOM 0 HB VAL A 33 1.083 0.651 7.887 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.368 0.432 8.774 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.301 1.296 9.905 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.728 -0.405 10.208 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.451 -1.298 7.267 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.772 -2.206 8.639 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.716 -1.693 7.301 1.00 0.00 H new ATOM 493 N CYS A 34 -0.009 2.145 9.854 1.00 0.00 N ATOM 494 CA CYS A 34 -0.090 3.389 10.607 1.00 0.00 C ATOM 495 C CYS A 34 -1.542 3.739 10.925 1.00 0.00 C ATOM 496 O CYS A 34 -1.827 4.416 11.913 1.00 0.00 O ATOM 497 CB CYS A 34 0.559 4.529 9.821 1.00 0.00 C ATOM 498 SG CYS A 34 -0.391 5.061 8.360 1.00 0.00 S ATOM 0 H CYS A 34 0.060 2.268 8.844 1.00 0.00 H new ATOM 0 HA CYS A 34 0.447 3.252 11.545 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.693 5.383 10.485 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.553 4.215 9.501 1.00 0.00 H new ATOM 503 N LYS A 35 -2.455 3.272 10.082 1.00 0.00 N ATOM 504 CA LYS A 35 -3.878 3.531 10.271 1.00 0.00 C ATOM 505 C LYS A 35 -4.175 5.025 10.174 1.00 0.00 C ATOM 506 O LYS A 35 -4.788 5.604 11.071 1.00 0.00 O ATOM 507 CB LYS A 35 -4.337 2.995 11.630 1.00 0.00 C ATOM 508 CG LYS A 35 -4.787 1.546 11.590 1.00 0.00 C ATOM 509 CD LYS A 35 -5.171 1.043 12.973 1.00 0.00 C ATOM 510 CE LYS A 35 -6.471 1.670 13.452 1.00 0.00 C ATOM 511 NZ LYS A 35 -6.686 1.458 14.910 1.00 0.00 N ATOM 0 H LYS A 35 -2.235 2.711 9.259 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.426 3.017 9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.520 3.094 12.345 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.158 3.612 11.996 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.638 1.447 10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.987 0.926 11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.275 -0.042 12.951 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.373 1.272 13.679 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.459 2.739 13.239 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.306 1.244 12.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.583 1.900 15.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.723 0.438 15.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.902 1.887 15.442 1.00 0.00 H new ATOM 525 N ASP A 36 -3.739 5.640 9.082 1.00 0.00 N ATOM 526 CA ASP A 36 -3.961 7.065 8.866 1.00 0.00 C ATOM 527 C ASP A 36 -4.404 7.335 7.432 1.00 0.00 C ATOM 528 O ASP A 36 -3.868 6.758 6.486 1.00 0.00 O ATOM 529 CB ASP A 36 -2.689 7.854 9.178 1.00 0.00 C ATOM 530 CG ASP A 36 -2.841 9.335 8.891 1.00 0.00 C ATOM 531 OD1 ASP A 36 -3.399 10.050 9.748 1.00 0.00 O ATOM 532 OD2 ASP A 36 -2.403 9.779 7.808 1.00 0.00 O ATOM 0 H ASP A 36 -3.229 5.174 8.331 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.755 7.390 9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.427 7.715 10.227 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.864 7.455 8.588 1.00 0.00 H new ATOM 537 N PHE A 37 -5.387 8.216 7.277 1.00 0.00 N ATOM 538 CA PHE A 37 -5.905 8.562 5.958 1.00 0.00 C ATOM 539 C PHE A 37 -4.787 8.565 4.920 1.00 0.00 C ATOM 540 O PHE A 37 -3.969 9.484 4.874 1.00 0.00 O ATOM 541 CB PHE A 37 -6.584 9.932 5.997 1.00 0.00 C ATOM 542 CG PHE A 37 -7.333 10.195 7.272 1.00 0.00 C ATOM 543 CD1 PHE A 37 -8.580 9.630 7.487 1.00 0.00 C ATOM 544 CD2 PHE A 37 -6.790 11.006 8.255 1.00 0.00 C ATOM 545 CE1 PHE A 37 -9.272 9.870 8.660 1.00 0.00 C ATOM 546 CE2 PHE A 37 -7.477 11.248 9.431 1.00 0.00 C ATOM 547 CZ PHE A 37 -8.720 10.681 9.632 1.00 0.00 C ATOM 0 H PHE A 37 -5.841 8.704 8.049 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.640 7.809 5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.829 10.707 5.862 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.274 10.010 5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -9.016 8.995 6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.820 11.454 8.102 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -10.243 9.424 8.816 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.042 11.880 10.191 1.00 0.00 H new ATOM 0 HZ PHE A 37 -9.260 10.871 10.548 1.00 0.00 H new ATOM 557 N VAL A 38 -4.758 7.528 4.088 1.00 0.00 N ATOM 558 CA VAL A 38 -3.743 7.410 3.049 1.00 0.00 C ATOM 559 C VAL A 38 -3.938 8.466 1.967 1.00 0.00 C ATOM 560 O VAL A 38 -4.468 8.179 0.893 1.00 0.00 O ATOM 561 CB VAL A 38 -3.764 6.014 2.398 1.00 0.00 C ATOM 562 CG1 VAL A 38 -2.625 5.872 1.400 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.690 4.930 3.463 1.00 0.00 C ATOM 0 H VAL A 38 -5.426 6.758 4.114 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.778 7.563 3.532 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.704 5.898 1.858 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.657 4.879 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.728 6.627 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.673 6.008 1.913 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.706 3.950 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.767 5.042 4.032 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.544 5.021 4.134 1.00 0.00 H new ATOM 573 N TRP A 39 -3.505 9.689 2.255 1.00 0.00 N ATOM 574 CA TRP A 39 -3.632 10.788 1.305 1.00 0.00 C ATOM 575 C TRP A 39 -2.464 11.758 1.437 1.00 0.00 C ATOM 576 O TRP A 39 -1.616 11.610 2.317 1.00 0.00 O ATOM 577 CB TRP A 39 -4.953 11.527 1.524 1.00 0.00 C ATOM 578 CG TRP A 39 -4.846 12.655 2.506 1.00 0.00 C ATOM 579 CD1 TRP A 39 -4.116 12.671 3.660 1.00 0.00 C ATOM 580 CD2 TRP A 39 -5.493 13.930 2.420 1.00 0.00 C ATOM 581 NE1 TRP A 39 -4.270 13.879 4.297 1.00 0.00 N ATOM 582 CE2 TRP A 39 -5.109 14.669 3.557 1.00 0.00 C ATOM 583 CE3 TRP A 39 -6.357 14.520 1.494 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -5.560 15.966 3.789 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -6.805 15.806 1.726 1.00 0.00 C ATOM 586 CH2 TRP A 39 -6.406 16.518 2.865 1.00 0.00 C ATOM 0 H TRP A 39 -3.063 9.944 3.138 1.00 0.00 H new ATOM 0 HA TRP A 39 -3.620 10.370 0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.305 11.918 0.569 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.704 10.819 1.875 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.507 11.854 4.019 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.830 14.144 5.178 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.669 13.980 0.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.253 16.516 4.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -7.474 16.271 1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -6.773 17.522 3.017 1.00 0.00 H new ATOM 597 N GLY A 40 -2.424 12.753 0.556 1.00 0.00 N ATOM 598 CA GLY A 40 -1.354 13.734 0.592 1.00 0.00 C ATOM 599 C GLY A 40 -0.182 13.346 -0.288 1.00 0.00 C ATOM 600 O GLY A 40 0.095 14.005 -1.292 1.00 0.00 O ATOM 0 H GLY A 40 -3.113 12.898 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.741 14.701 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.009 13.854 1.619 1.00 0.00 H new ATOM 604 N LEU A 41 0.509 12.275 0.087 1.00 0.00 N ATOM 605 CA LEU A 41 1.659 11.802 -0.674 1.00 0.00 C ATOM 606 C LEU A 41 1.219 11.180 -1.994 1.00 0.00 C ATOM 607 O LEU A 41 0.447 10.222 -2.014 1.00 0.00 O ATOM 608 CB LEU A 41 2.452 10.782 0.144 1.00 0.00 C ATOM 609 CG LEU A 41 3.451 11.358 1.149 1.00 0.00 C ATOM 610 CD1 LEU A 41 3.914 10.280 2.118 1.00 0.00 C ATOM 611 CD2 LEU A 41 4.640 11.973 0.426 1.00 0.00 C ATOM 0 H LEU A 41 0.292 11.718 0.914 1.00 0.00 H new ATOM 0 HA LEU A 41 2.297 12.659 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.746 10.152 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.993 10.135 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 41 2.953 12.142 1.719 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.624 10.708 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.055 9.885 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.395 9.474 1.563 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.340 12.378 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.139 11.209 -0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.294 12.774 -0.227 1.00 0.00 H new ATOM 623 N ASN A 42 1.717 11.729 -3.098 1.00 0.00 N ATOM 624 CA ASN A 42 1.376 11.226 -4.423 1.00 0.00 C ATOM 625 C ASN A 42 1.904 9.810 -4.621 1.00 0.00 C ATOM 626 O ASN A 42 1.169 8.912 -5.033 1.00 0.00 O ATOM 627 CB ASN A 42 1.943 12.150 -5.504 1.00 0.00 C ATOM 628 CG ASN A 42 1.383 13.556 -5.414 1.00 0.00 C ATOM 629 OD1 ASN A 42 1.148 14.075 -4.323 1.00 0.00 O ATOM 630 ND2 ASN A 42 1.167 14.182 -6.566 1.00 0.00 N ATOM 0 H ASN A 42 2.358 12.522 -3.100 1.00 0.00 H new ATOM 0 HA ASN A 42 0.289 11.204 -4.506 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.029 12.188 -5.413 1.00 0.00 H new ATOM 0 HB3 ASN A 42 1.720 11.735 -6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.792 15.131 -6.568 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.376 13.714 -7.448 1.00 0.00 H new ATOM 637 N LYS A 43 3.185 9.615 -4.323 1.00 0.00 N ATOM 638 CA LYS A 43 3.813 8.307 -4.465 1.00 0.00 C ATOM 639 C LYS A 43 2.830 7.191 -4.129 1.00 0.00 C ATOM 640 O LYS A 43 2.590 6.894 -2.960 1.00 0.00 O ATOM 641 CB LYS A 43 5.042 8.208 -3.558 1.00 0.00 C ATOM 642 CG LYS A 43 6.286 8.852 -4.146 1.00 0.00 C ATOM 643 CD LYS A 43 6.246 10.365 -4.012 1.00 0.00 C ATOM 644 CE LYS A 43 7.643 10.965 -4.059 1.00 0.00 C ATOM 645 NZ LYS A 43 8.224 10.912 -5.429 1.00 0.00 N ATOM 0 H LYS A 43 3.808 10.347 -3.982 1.00 0.00 H new ATOM 0 HA LYS A 43 4.124 8.192 -5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.816 8.680 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.249 7.157 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.171 8.464 -3.641 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.375 8.581 -5.198 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.640 10.787 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.764 10.636 -3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.605 12.000 -3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.292 10.427 -3.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.176 11.330 -5.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.284 9.922 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.618 11.446 -6.084 1.00 0.00 H new ATOM 659 N GLN A 44 2.264 6.576 -5.163 1.00 0.00 N ATOM 660 CA GLN A 44 1.307 5.491 -4.976 1.00 0.00 C ATOM 661 C GLN A 44 1.707 4.609 -3.799 1.00 0.00 C ATOM 662 O GLN A 44 2.890 4.366 -3.565 1.00 0.00 O ATOM 663 CB GLN A 44 1.205 4.648 -6.249 1.00 0.00 C ATOM 664 CG GLN A 44 2.489 3.913 -6.597 1.00 0.00 C ATOM 665 CD GLN A 44 3.465 4.778 -7.369 1.00 0.00 C ATOM 666 OE1 GLN A 44 3.093 5.446 -8.334 1.00 0.00 O ATOM 667 NE2 GLN A 44 4.725 4.770 -6.949 1.00 0.00 N ATOM 0 H GLN A 44 2.451 6.810 -6.138 1.00 0.00 H new ATOM 0 HA GLN A 44 0.334 5.932 -4.761 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.401 3.921 -6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.929 5.295 -7.082 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.964 3.565 -5.680 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.248 3.028 -7.186 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.991 4.202 -6.145 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.427 5.332 -7.431 1.00 0.00 H new ATOM 676 N GLY A 45 0.711 4.133 -3.058 1.00 0.00 N ATOM 677 CA GLY A 45 0.979 3.283 -1.911 1.00 0.00 C ATOM 678 C GLY A 45 1.058 1.816 -2.284 1.00 0.00 C ATOM 679 O GLY A 45 1.589 1.463 -3.338 1.00 0.00 O ATOM 0 H GLY A 45 -0.277 4.320 -3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.917 3.588 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.195 3.424 -1.167 1.00 0.00 H new ATOM 683 N TYR A 46 0.530 0.959 -1.417 1.00 0.00 N ATOM 684 CA TYR A 46 0.546 -0.479 -1.659 1.00 0.00 C ATOM 685 C TYR A 46 -0.744 -1.129 -1.167 1.00 0.00 C ATOM 686 O TYR A 46 -1.319 -0.712 -0.162 1.00 0.00 O ATOM 687 CB TYR A 46 1.749 -1.120 -0.964 1.00 0.00 C ATOM 688 CG TYR A 46 3.079 -0.716 -1.562 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.283 -0.743 -2.935 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.130 -0.306 -0.751 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.496 -0.375 -3.484 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.346 0.066 -1.291 1.00 0.00 C ATOM 693 CZ TYR A 46 5.524 0.028 -2.658 1.00 0.00 C ATOM 694 OH TYR A 46 6.734 0.396 -3.202 1.00 0.00 O ATOM 0 H TYR A 46 0.086 1.235 -0.541 1.00 0.00 H new ATOM 0 HA TYR A 46 0.626 -0.640 -2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.736 -0.847 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.652 -2.205 -1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.480 -1.057 -3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.994 -0.278 0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.638 -0.403 -4.554 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.152 0.385 -0.647 1.00 0.00 H new ATOM 0 HH TYR A 46 7.350 0.654 -2.485 1.00 0.00 H new ATOM 704 N LYS A 47 -1.193 -2.153 -1.884 1.00 0.00 N ATOM 705 CA LYS A 47 -2.414 -2.863 -1.523 1.00 0.00 C ATOM 706 C LYS A 47 -2.306 -4.344 -1.874 1.00 0.00 C ATOM 707 O LYS A 47 -2.062 -4.703 -3.026 1.00 0.00 O ATOM 708 CB LYS A 47 -3.618 -2.246 -2.238 1.00 0.00 C ATOM 709 CG LYS A 47 -4.875 -3.095 -2.157 1.00 0.00 C ATOM 710 CD LYS A 47 -6.123 -2.273 -2.429 1.00 0.00 C ATOM 711 CE LYS A 47 -7.388 -3.075 -2.165 1.00 0.00 C ATOM 712 NZ LYS A 47 -8.617 -2.278 -2.435 1.00 0.00 N ATOM 0 H LYS A 47 -0.729 -2.510 -2.719 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.553 -2.771 -0.446 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.823 -1.266 -1.807 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.365 -2.086 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.811 -3.910 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.946 -3.548 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.118 -1.383 -1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.117 -1.932 -3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.389 -3.968 -2.791 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.394 -3.412 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.457 -2.860 -2.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.629 -1.439 -1.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.624 -1.977 -3.431 1.00 0.00 H new ATOM 726 N CYS A 48 -2.490 -5.199 -0.873 1.00 0.00 N ATOM 727 CA CYS A 48 -2.414 -6.641 -1.077 1.00 0.00 C ATOM 728 C CYS A 48 -3.643 -7.150 -1.825 1.00 0.00 C ATOM 729 O CYS A 48 -4.772 -7.004 -1.357 1.00 0.00 O ATOM 730 CB CYS A 48 -2.288 -7.360 0.268 1.00 0.00 C ATOM 731 SG CYS A 48 -1.754 -9.096 0.137 1.00 0.00 S ATOM 0 H CYS A 48 -2.693 -4.919 0.087 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.531 -6.852 -1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.577 -6.819 0.892 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.251 -7.325 0.778 1.00 0.00 H new ATOM 736 N ARG A 49 -3.413 -7.749 -2.989 1.00 0.00 N ATOM 737 CA ARG A 49 -4.501 -8.280 -3.803 1.00 0.00 C ATOM 738 C ARG A 49 -4.961 -9.636 -3.278 1.00 0.00 C ATOM 739 O ARG A 49 -5.701 -10.354 -3.951 1.00 0.00 O ATOM 740 CB ARG A 49 -4.058 -8.408 -5.262 1.00 0.00 C ATOM 741 CG ARG A 49 -2.742 -9.149 -5.435 1.00 0.00 C ATOM 742 CD ARG A 49 -2.680 -9.868 -6.774 1.00 0.00 C ATOM 743 NE ARG A 49 -3.683 -10.926 -6.874 1.00 0.00 N ATOM 744 CZ ARG A 49 -4.155 -11.384 -8.028 1.00 0.00 C ATOM 745 NH1 ARG A 49 -3.718 -10.880 -9.174 1.00 0.00 N ATOM 746 NH2 ARG A 49 -5.066 -12.349 -8.036 1.00 0.00 N ATOM 0 H ARG A 49 -2.484 -7.879 -3.390 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.339 -7.585 -3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.834 -8.927 -5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.964 -7.411 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.914 -8.444 -5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.620 -9.871 -4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.830 -9.149 -7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.687 -10.296 -6.910 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.040 -11.335 -6.011 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.018 -10.139 -9.171 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.082 -11.234 -10.059 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.404 -12.739 -7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.429 -12.701 -8.922 1.00 0.00 H new ATOM 760 N GLN A 50 -4.517 -9.980 -2.073 1.00 0.00 N ATOM 761 CA GLN A 50 -4.882 -11.251 -1.459 1.00 0.00 C ATOM 762 C GLN A 50 -5.751 -11.030 -0.226 1.00 0.00 C ATOM 763 O GLN A 50 -6.848 -11.580 -0.119 1.00 0.00 O ATOM 764 CB GLN A 50 -3.627 -12.038 -1.079 1.00 0.00 C ATOM 765 CG GLN A 50 -2.682 -12.277 -2.246 1.00 0.00 C ATOM 766 CD GLN A 50 -3.106 -13.449 -3.110 1.00 0.00 C ATOM 767 OE1 GLN A 50 -3.613 -13.266 -4.217 1.00 0.00 O ATOM 768 NE2 GLN A 50 -2.902 -14.660 -2.607 1.00 0.00 N ATOM 0 H GLN A 50 -3.904 -9.397 -1.503 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.455 -11.825 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.094 -11.500 -0.295 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.924 -12.999 -0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.633 -11.377 -2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.677 -12.457 -1.864 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.479 -14.765 -1.685 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.169 -15.486 -3.142 1.00 0.00 H new ATOM 777 N CYS A 51 -5.254 -10.222 0.705 1.00 0.00 N ATOM 778 CA CYS A 51 -5.984 -9.928 1.932 1.00 0.00 C ATOM 779 C CYS A 51 -6.622 -8.543 1.867 1.00 0.00 C ATOM 780 O CYS A 51 -7.453 -8.191 2.703 1.00 0.00 O ATOM 781 CB CYS A 51 -5.048 -10.013 3.139 1.00 0.00 C ATOM 782 SG CYS A 51 -3.686 -8.804 3.112 1.00 0.00 S ATOM 0 H CYS A 51 -4.348 -9.759 0.633 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.776 -10.669 2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.631 -9.867 4.048 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.627 -11.017 3.188 1.00 0.00 H new ATOM 787 N ASN A 52 -6.229 -7.763 0.865 1.00 0.00 N ATOM 788 CA ASN A 52 -6.762 -6.416 0.691 1.00 0.00 C ATOM 789 C ASN A 52 -6.268 -5.488 1.796 1.00 0.00 C ATOM 790 O ASN A 52 -7.063 -4.855 2.490 1.00 0.00 O ATOM 791 CB ASN A 52 -8.291 -6.449 0.683 1.00 0.00 C ATOM 792 CG ASN A 52 -8.840 -7.714 0.052 1.00 0.00 C ATOM 793 OD1 ASN A 52 -9.403 -8.568 0.737 1.00 0.00 O ATOM 794 ND2 ASN A 52 -8.676 -7.841 -1.260 1.00 0.00 N ATOM 0 H ASN A 52 -5.544 -8.040 0.162 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.408 -6.032 -0.266 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.659 -6.368 1.706 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.667 -5.582 0.139 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.023 -8.672 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.203 -7.108 -1.788 1.00 0.00 H new ATOM 801 N ALA A 53 -4.950 -5.411 1.952 1.00 0.00 N ATOM 802 CA ALA A 53 -4.349 -4.558 2.970 1.00 0.00 C ATOM 803 C ALA A 53 -3.663 -3.351 2.339 1.00 0.00 C ATOM 804 O ALA A 53 -2.519 -3.438 1.893 1.00 0.00 O ATOM 805 CB ALA A 53 -3.359 -5.353 3.807 1.00 0.00 C ATOM 0 H ALA A 53 -4.278 -5.929 1.386 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.145 -4.192 3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.918 -4.704 4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.876 -6.179 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.572 -5.747 3.163 1.00 0.00 H new ATOM 811 N ALA A 54 -4.369 -2.226 2.305 1.00 0.00 N ATOM 812 CA ALA A 54 -3.827 -1.001 1.731 1.00 0.00 C ATOM 813 C ALA A 54 -3.001 -0.232 2.756 1.00 0.00 C ATOM 814 O ALA A 54 -3.512 0.175 3.800 1.00 0.00 O ATOM 815 CB ALA A 54 -4.951 -0.128 1.192 1.00 0.00 C ATOM 0 H ALA A 54 -5.318 -2.138 2.668 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.169 -1.276 0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.532 0.784 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.496 -0.672 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.632 0.130 2.003 1.00 0.00 H new ATOM 821 N ILE A 55 -1.722 -0.037 2.452 1.00 0.00 N ATOM 822 CA ILE A 55 -0.826 0.684 3.349 1.00 0.00 C ATOM 823 C ILE A 55 0.076 1.638 2.575 1.00 0.00 C ATOM 824 O ILE A 55 0.074 1.650 1.343 1.00 0.00 O ATOM 825 CB ILE A 55 0.051 -0.284 4.165 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.213 -0.797 3.313 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.784 -1.444 4.688 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.187 -1.664 4.079 1.00 0.00 C ATOM 0 H ILE A 55 -1.283 -0.368 1.593 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.455 1.256 4.031 1.00 0.00 H new ATOM 0 HB ILE A 55 0.463 0.255 5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.814 -1.367 2.474 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.749 0.054 2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.150 -2.119 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.579 -1.061 5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.222 -1.984 3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.984 -1.992 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.615 -1.091 4.902 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.665 -2.535 4.476 1.00 0.00 H new ATOM 840 N HIS A 56 0.849 2.437 3.303 1.00 0.00 N ATOM 841 CA HIS A 56 1.759 3.394 2.685 1.00 0.00 C ATOM 842 C HIS A 56 3.029 2.701 2.201 1.00 0.00 C ATOM 843 O HIS A 56 3.417 1.656 2.724 1.00 0.00 O ATOM 844 CB HIS A 56 2.115 4.504 3.673 1.00 0.00 C ATOM 845 CG HIS A 56 0.923 5.248 4.192 1.00 0.00 C ATOM 846 ND1 HIS A 56 0.025 4.703 5.085 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.483 6.504 3.940 1.00 0.00 C ATOM 848 CE1 HIS A 56 -0.915 5.589 5.359 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.660 6.691 4.677 1.00 0.00 N ATOM 0 H HIS A 56 0.863 2.441 4.323 1.00 0.00 H new ATOM 0 HA HIS A 56 1.255 3.833 1.824 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.657 4.071 4.514 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.790 5.209 3.187 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.945 7.224 3.282 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.750 5.438 6.027 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.221 7.543 4.695 1.00 0.00 H new ATOM 857 N LYS A 57 3.673 3.290 1.198 1.00 0.00 N ATOM 858 CA LYS A 57 4.899 2.731 0.643 1.00 0.00 C ATOM 859 C LYS A 57 5.953 2.543 1.731 1.00 0.00 C ATOM 860 O LYS A 57 6.785 1.638 1.656 1.00 0.00 O ATOM 861 CB LYS A 57 5.445 3.641 -0.460 1.00 0.00 C ATOM 862 CG LYS A 57 6.502 2.978 -1.327 1.00 0.00 C ATOM 863 CD LYS A 57 7.456 4.000 -1.922 1.00 0.00 C ATOM 864 CE LYS A 57 8.620 3.327 -2.633 1.00 0.00 C ATOM 865 NZ LYS A 57 9.501 2.592 -1.684 1.00 0.00 N ATOM 0 H LYS A 57 3.365 4.155 0.753 1.00 0.00 H new ATOM 0 HA LYS A 57 4.664 1.755 0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.619 3.966 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.869 4.536 -0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.064 2.258 -0.731 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.019 2.420 -2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.918 4.636 -2.625 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.836 4.648 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.236 2.635 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.205 4.079 -3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.415 2.396 -2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.655 3.171 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.049 1.695 -1.415 1.00 0.00 H new ATOM 879 N LYS A 58 5.912 3.405 2.742 1.00 0.00 N ATOM 880 CA LYS A 58 6.861 3.333 3.846 1.00 0.00 C ATOM 881 C LYS A 58 6.356 2.395 4.938 1.00 0.00 C ATOM 882 O LYS A 58 7.144 1.744 5.624 1.00 0.00 O ATOM 883 CB LYS A 58 7.101 4.728 4.431 1.00 0.00 C ATOM 884 CG LYS A 58 5.843 5.385 4.971 1.00 0.00 C ATOM 885 CD LYS A 58 6.062 6.864 5.246 1.00 0.00 C ATOM 886 CE LYS A 58 5.776 7.708 4.013 1.00 0.00 C ATOM 887 NZ LYS A 58 6.443 9.038 4.085 1.00 0.00 N ATOM 0 H LYS A 58 5.232 4.161 2.819 1.00 0.00 H new ATOM 0 HA LYS A 58 7.801 2.940 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.836 4.655 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.532 5.367 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.031 5.263 4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.535 4.885 5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.416 7.183 6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.090 7.027 5.569 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.117 7.178 3.123 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.700 7.846 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.397 9.500 3.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.960 9.631 4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.438 8.913 4.361 1.00 0.00 H new ATOM 901 N CYS A 59 5.038 2.326 5.091 1.00 0.00 N ATOM 902 CA CYS A 59 4.428 1.466 6.097 1.00 0.00 C ATOM 903 C CYS A 59 4.727 -0.002 5.811 1.00 0.00 C ATOM 904 O CYS A 59 4.633 -0.850 6.699 1.00 0.00 O ATOM 905 CB CYS A 59 2.914 1.690 6.139 1.00 0.00 C ATOM 906 SG CYS A 59 2.387 2.979 7.314 1.00 0.00 S ATOM 0 H CYS A 59 4.371 2.856 4.530 1.00 0.00 H new ATOM 0 HA CYS A 59 4.855 1.724 7.066 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.569 1.960 5.141 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.426 0.752 6.402 1.00 0.00 H new ATOM 911 N ILE A 60 5.089 -0.295 4.567 1.00 0.00 N ATOM 912 CA ILE A 60 5.403 -1.660 4.164 1.00 0.00 C ATOM 913 C ILE A 60 6.536 -2.235 5.008 1.00 0.00 C ATOM 914 O ILE A 60 6.492 -3.395 5.419 1.00 0.00 O ATOM 915 CB ILE A 60 5.798 -1.733 2.677 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.433 -3.099 2.096 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.286 -1.460 2.511 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.596 -3.180 0.593 1.00 0.00 C ATOM 0 H ILE A 60 5.172 0.395 3.820 1.00 0.00 H new ATOM 0 HA ILE A 60 4.500 -2.250 4.320 1.00 0.00 H new ATOM 0 HB ILE A 60 5.245 -0.969 2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.057 -3.862 2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.400 -3.330 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.550 -1.515 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.518 -0.465 2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.857 -2.204 3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.319 -4.177 0.250 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.952 -2.441 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.634 -2.980 0.328 1.00 0.00 H new ATOM 930 N ASP A 61 7.550 -1.415 5.264 1.00 0.00 N ATOM 931 CA ASP A 61 8.694 -1.840 6.061 1.00 0.00 C ATOM 932 C ASP A 61 8.382 -1.746 7.552 1.00 0.00 C ATOM 933 O ASP A 61 9.224 -2.057 8.395 1.00 0.00 O ATOM 934 CB ASP A 61 9.920 -0.987 5.730 1.00 0.00 C ATOM 935 CG ASP A 61 10.490 -1.302 4.361 1.00 0.00 C ATOM 936 OD1 ASP A 61 10.007 -0.719 3.369 1.00 0.00 O ATOM 937 OD2 ASP A 61 11.420 -2.133 4.282 1.00 0.00 O ATOM 0 H ASP A 61 7.602 -0.452 4.931 1.00 0.00 H new ATOM 0 HA ASP A 61 8.909 -2.880 5.817 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.648 0.068 5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.688 -1.150 6.487 1.00 0.00 H new ATOM 942 N LYS A 62 7.167 -1.314 7.872 1.00 0.00 N ATOM 943 CA LYS A 62 6.742 -1.179 9.259 1.00 0.00 C ATOM 944 C LYS A 62 5.685 -2.221 9.609 1.00 0.00 C ATOM 945 O LYS A 62 5.092 -2.180 10.687 1.00 0.00 O ATOM 946 CB LYS A 62 6.190 0.227 9.510 1.00 0.00 C ATOM 947 CG LYS A 62 7.174 1.335 9.178 1.00 0.00 C ATOM 948 CD LYS A 62 8.116 1.611 10.338 1.00 0.00 C ATOM 949 CE LYS A 62 7.401 2.318 11.480 1.00 0.00 C ATOM 950 NZ LYS A 62 6.830 1.352 12.459 1.00 0.00 N ATOM 0 H LYS A 62 6.458 -1.051 7.187 1.00 0.00 H new ATOM 0 HA LYS A 62 7.611 -1.341 9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.287 0.365 8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.899 0.312 10.557 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.752 1.057 8.297 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.628 2.244 8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.538 0.672 10.697 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.949 2.224 9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.099 2.982 11.990 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.603 2.942 11.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.791 1.385 12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.156 0.391 12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.143 1.604 13.418 1.00 0.00 H new ATOM 964 N ILE A 63 5.456 -3.155 8.693 1.00 0.00 N ATOM 965 CA ILE A 63 4.472 -4.209 8.907 1.00 0.00 C ATOM 966 C ILE A 63 4.990 -5.251 9.894 1.00 0.00 C ATOM 967 O ILE A 63 6.187 -5.535 9.943 1.00 0.00 O ATOM 968 CB ILE A 63 4.103 -4.911 7.586 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.434 -3.922 6.629 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.190 -6.098 7.854 1.00 0.00 C ATOM 971 CD1 ILE A 63 3.212 -4.482 5.241 1.00 0.00 C ATOM 0 H ILE A 63 5.938 -3.204 7.796 1.00 0.00 H new ATOM 0 HA ILE A 63 3.582 -3.732 9.317 1.00 0.00 H new ATOM 0 HB ILE A 63 5.016 -5.279 7.119 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.475 -3.617 7.047 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.050 -3.026 6.556 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.938 -6.583 6.911 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.700 -6.810 8.504 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.277 -5.753 8.339 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.734 -3.727 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.171 -4.761 4.804 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.571 -5.361 5.302 1.00 0.00 H new ATOM 983 N ILE A 64 4.078 -5.817 10.679 1.00 0.00 N ATOM 984 CA ILE A 64 4.442 -6.828 11.664 1.00 0.00 C ATOM 985 C ILE A 64 3.422 -7.963 11.688 1.00 0.00 C ATOM 986 O ILE A 64 2.321 -7.810 12.212 1.00 0.00 O ATOM 987 CB ILE A 64 4.555 -6.224 13.076 1.00 0.00 C ATOM 988 CG1 ILE A 64 5.634 -5.142 13.107 1.00 0.00 C ATOM 989 CG2 ILE A 64 4.859 -7.313 14.094 1.00 0.00 C ATOM 990 CD1 ILE A 64 5.451 -4.135 14.221 1.00 0.00 C ATOM 0 H ILE A 64 3.083 -5.593 10.652 1.00 0.00 H new ATOM 0 HA ILE A 64 5.414 -7.222 11.368 1.00 0.00 H new ATOM 0 HB ILE A 64 3.601 -5.766 13.337 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.609 -5.617 13.214 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.638 -4.617 12.152 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.936 -6.871 15.087 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.058 -8.052 14.087 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.801 -7.797 13.838 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.253 -3.398 14.181 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.491 -3.633 14.103 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.477 -4.647 15.183 1.00 0.00 H new ATOM 1002 N GLY A 65 3.801 -9.103 11.117 1.00 0.00 N ATOM 1003 CA GLY A 65 2.909 -10.247 11.086 1.00 0.00 C ATOM 1004 C GLY A 65 2.975 -10.998 9.770 1.00 0.00 C ATOM 1005 O GLY A 65 3.916 -10.823 8.995 1.00 0.00 O ATOM 0 H GLY A 65 4.708 -9.254 10.676 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.164 -10.925 11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.886 -9.911 11.258 1.00 0.00 H new ATOM 1009 N ARG A 66 1.975 -11.836 9.518 1.00 0.00 N ATOM 1010 CA ARG A 66 1.925 -12.616 8.288 1.00 0.00 C ATOM 1011 C ARG A 66 0.637 -12.340 7.519 1.00 0.00 C ATOM 1012 O ARG A 66 -0.353 -11.880 8.091 1.00 0.00 O ATOM 1013 CB ARG A 66 2.033 -14.110 8.603 1.00 0.00 C ATOM 1014 CG ARG A 66 3.412 -14.534 9.080 1.00 0.00 C ATOM 1015 CD ARG A 66 3.456 -16.018 9.408 1.00 0.00 C ATOM 1016 NE ARG A 66 2.984 -16.294 10.762 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.177 -17.451 11.385 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.829 -18.433 10.781 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.716 -17.626 12.618 1.00 0.00 N ATOM 0 H ARG A 66 1.189 -11.992 10.149 1.00 0.00 H new ATOM 0 HA ARG A 66 2.769 -12.319 7.665 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.299 -14.365 9.367 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.775 -14.680 7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.150 -14.308 8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.686 -13.957 9.963 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.843 -16.566 8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.477 -16.383 9.299 1.00 0.00 H new ATOM 0 HE ARG A 66 2.479 -15.558 11.256 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.185 -18.302 9.834 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.975 -19.320 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.214 -16.872 13.086 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.864 -18.515 13.097 1.00 0.00 H new ATOM 1033 N CYS A 67 0.656 -12.622 6.221 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.510 -12.402 5.373 1.00 0.00 C ATOM 1035 C CYS A 67 -1.595 -13.436 5.661 1.00 0.00 C ATOM 1036 O CYS A 67 -1.306 -14.615 5.866 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.112 -12.463 3.898 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.464 -12.062 2.745 1.00 0.00 S ATOM 0 H CYS A 67 1.466 -13.004 5.733 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.908 -11.412 5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.714 -11.772 3.727 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.258 -13.464 3.674 1.00 0.00 H new ATOM 1043 N THR A 68 -2.845 -12.984 5.677 1.00 0.00 N ATOM 1044 CA THR A 68 -3.973 -13.868 5.942 1.00 0.00 C ATOM 1045 C THR A 68 -4.749 -14.167 4.663 1.00 0.00 C ATOM 1046 O THR A 68 -5.967 -14.338 4.690 1.00 0.00 O ATOM 1047 CB THR A 68 -4.933 -13.258 6.980 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.942 -14.212 7.334 1.00 0.00 O ATOM 1049 CG2 THR A 68 -5.588 -11.998 6.437 1.00 0.00 C ATOM 0 H THR A 68 -3.102 -12.011 5.510 1.00 0.00 H new ATOM 0 HA THR A 68 -3.561 -14.795 6.340 1.00 0.00 H new ATOM 0 HB THR A 68 -4.355 -12.995 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.332 -14.593 6.520 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.262 -11.585 7.188 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.820 -11.263 6.196 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.153 -12.241 5.537 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.034 -14.229 3.543 1.00 0.00 N ATOM 1058 CA GLY A 69 -4.672 -14.509 2.271 1.00 0.00 C ATOM 1059 C GLY A 69 -3.759 -15.246 1.313 1.00 0.00 C ATOM 1060 O GLY A 69 -3.835 -15.057 0.099 1.00 0.00 O ATOM 0 H GLY A 69 -3.025 -14.090 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.570 -15.103 2.442 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.992 -13.572 1.815 1.00 0.00 H new ATOM 1064 N THR A 70 -2.889 -16.091 1.859 1.00 0.00 N ATOM 1065 CA THR A 70 -1.954 -16.858 1.046 1.00 0.00 C ATOM 1066 C THR A 70 -2.083 -18.351 1.320 1.00 0.00 C ATOM 1067 O THR A 70 -2.585 -18.758 2.368 1.00 0.00 O ATOM 1068 CB THR A 70 -0.499 -16.423 1.302 1.00 0.00 C ATOM 1069 OG1 THR A 70 -0.174 -16.593 2.686 1.00 0.00 O ATOM 1070 CG2 THR A 70 -0.288 -14.972 0.900 1.00 0.00 C ATOM 0 H THR A 70 -2.813 -16.261 2.862 1.00 0.00 H new ATOM 0 HA THR A 70 -2.206 -16.661 0.004 1.00 0.00 H new ATOM 0 HB THR A 70 0.156 -17.049 0.696 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.753 -16.316 2.841 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.747 -14.689 1.090 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.508 -14.853 -0.161 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.952 -14.333 1.482 1.00 0.00 H new ATOM 1078 N ALA A 71 -1.624 -19.164 0.375 1.00 0.00 N ATOM 1079 CA ALA A 71 -1.686 -20.614 0.517 1.00 0.00 C ATOM 1080 C ALA A 71 -0.331 -21.183 0.925 1.00 0.00 C ATOM 1081 O ALA A 71 0.364 -21.796 0.115 1.00 0.00 O ATOM 1082 CB ALA A 71 -2.160 -21.252 -0.780 1.00 0.00 C ATOM 0 H ALA A 71 -1.205 -18.843 -0.498 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.402 -20.847 1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.201 -22.334 -0.659 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -3.153 -20.876 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.466 -21.003 -1.583 1.00 0.00 H new ATOM 1088 N ALA A 72 0.038 -20.977 2.184 1.00 0.00 N ATOM 1089 CA ALA A 72 1.309 -21.471 2.699 1.00 0.00 C ATOM 1090 C ALA A 72 1.333 -22.995 2.730 1.00 0.00 C ATOM 1091 O ALA A 72 0.317 -23.635 2.997 1.00 0.00 O ATOM 1092 CB ALA A 72 1.571 -20.907 4.089 1.00 0.00 C ATOM 0 H ALA A 72 -0.526 -20.471 2.867 1.00 0.00 H new ATOM 0 HA ALA A 72 2.100 -21.135 2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.523 -21.284 4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.606 -19.819 4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.771 -21.214 4.763 1.00 0.00 H new ATOM 1098 N ASN A 73 2.500 -23.569 2.458 1.00 0.00 N ATOM 1099 CA ASN A 73 2.656 -25.019 2.454 1.00 0.00 C ATOM 1100 C ASN A 73 3.136 -25.518 3.813 1.00 0.00 C ATOM 1101 O ASN A 73 3.381 -24.728 4.725 1.00 0.00 O ATOM 1102 CB ASN A 73 3.643 -25.444 1.364 1.00 0.00 C ATOM 1103 CG ASN A 73 3.446 -24.672 0.074 1.00 0.00 C ATOM 1104 OD1 ASN A 73 2.365 -24.688 -0.515 1.00 0.00 O ATOM 1105 ND2 ASN A 73 4.495 -23.989 -0.372 1.00 0.00 N ATOM 0 H ASN A 73 3.351 -23.053 2.237 1.00 0.00 H new ATOM 0 HA ASN A 73 1.683 -25.464 2.247 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.662 -25.295 1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.527 -26.510 1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.423 -23.450 -1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 73 5.372 -24.004 0.149 1.00 0.00 H new ATOM 1112 N SER A 74 3.269 -26.835 3.940 1.00 0.00 N ATOM 1113 CA SER A 74 3.717 -27.440 5.189 1.00 0.00 C ATOM 1114 C SER A 74 5.238 -27.402 5.297 1.00 0.00 C ATOM 1115 O SER A 74 5.914 -28.403 5.058 1.00 0.00 O ATOM 1116 CB SER A 74 3.225 -28.886 5.286 1.00 0.00 C ATOM 1117 OG SER A 74 1.835 -28.934 5.563 1.00 0.00 O ATOM 0 H SER A 74 3.073 -27.502 3.194 1.00 0.00 H new ATOM 0 HA SER A 74 3.297 -26.864 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.431 -29.407 4.351 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.774 -29.408 6.070 1.00 0.00 H new ATOM 0 HG SER A 74 1.545 -29.868 5.618 1.00 0.00 H new ATOM 1123 N ARG A 75 5.770 -26.239 5.658 1.00 0.00 N ATOM 1124 CA ARG A 75 7.211 -26.067 5.796 1.00 0.00 C ATOM 1125 C ARG A 75 7.613 -26.007 7.267 1.00 0.00 C ATOM 1126 O ARG A 75 8.388 -25.141 7.675 1.00 0.00 O ATOM 1127 CB ARG A 75 7.666 -24.795 5.080 1.00 0.00 C ATOM 1128 CG ARG A 75 8.048 -25.018 3.625 1.00 0.00 C ATOM 1129 CD ARG A 75 9.523 -25.355 3.482 1.00 0.00 C ATOM 1130 NE ARG A 75 9.765 -26.793 3.554 1.00 0.00 N ATOM 1131 CZ ARG A 75 9.599 -27.619 2.526 1.00 0.00 C ATOM 1132 NH1 ARG A 75 9.193 -27.150 1.354 1.00 0.00 N ATOM 1133 NH2 ARG A 75 9.840 -28.916 2.670 1.00 0.00 N ATOM 0 H ARG A 75 5.224 -25.401 5.860 1.00 0.00 H new ATOM 0 HA ARG A 75 7.699 -26.927 5.338 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.867 -24.056 5.128 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.520 -24.375 5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.447 -25.827 3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 75 7.820 -24.123 3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.892 -24.973 2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.087 -24.853 4.268 1.00 0.00 H new ATOM 0 HE ARG A 75 10.079 -27.185 4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.007 -26.154 1.240 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.066 -27.786 0.566 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.153 -29.280 3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 75 9.712 -29.549 1.881 1.00 0.00 H new ATOM 1147 N ASP A 76 7.081 -26.932 8.059 1.00 0.00 N ATOM 1148 CA ASP A 76 7.384 -26.985 9.484 1.00 0.00 C ATOM 1149 C ASP A 76 8.326 -28.143 9.797 1.00 0.00 C ATOM 1150 O ASP A 76 8.151 -28.850 10.791 1.00 0.00 O ATOM 1151 CB ASP A 76 6.096 -27.125 10.297 1.00 0.00 C ATOM 1152 CG ASP A 76 5.049 -26.101 9.904 1.00 0.00 C ATOM 1153 OD1 ASP A 76 5.435 -25.002 9.455 1.00 0.00 O ATOM 1154 OD2 ASP A 76 3.844 -26.398 10.048 1.00 0.00 O ATOM 0 H ASP A 76 6.438 -27.655 7.738 1.00 0.00 H new ATOM 0 HA ASP A 76 7.878 -26.053 9.759 1.00 0.00 H new ATOM 0 HB2 ASP A 76 5.690 -28.127 10.159 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.325 -27.017 11.357 1.00 0.00 H new ATOM 1159 N THR A 77 9.326 -28.334 8.942 1.00 0.00 N ATOM 1160 CA THR A 77 10.294 -29.408 9.125 1.00 0.00 C ATOM 1161 C THR A 77 11.439 -28.967 10.028 1.00 0.00 C ATOM 1162 O THR A 77 12.601 -29.284 9.773 1.00 0.00 O ATOM 1163 CB THR A 77 10.870 -29.881 7.777 1.00 0.00 C ATOM 1164 OG1 THR A 77 11.531 -28.794 7.118 1.00 0.00 O ATOM 1165 CG2 THR A 77 9.771 -30.431 6.881 1.00 0.00 C ATOM 0 H THR A 77 9.487 -27.758 8.115 1.00 0.00 H new ATOM 0 HA THR A 77 9.763 -30.236 9.595 1.00 0.00 H new ATOM 0 HB THR A 77 11.588 -30.677 7.974 1.00 0.00 H new ATOM 0 HG1 THR A 77 11.896 -29.103 6.263 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.203 -30.759 5.935 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.290 -31.277 7.373 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.032 -29.653 6.692 1.00 0.00 H new ATOM 1173 N SER A 78 11.105 -28.235 11.087 1.00 0.00 N ATOM 1174 CA SER A 78 12.107 -27.748 12.026 1.00 0.00 C ATOM 1175 C SER A 78 11.450 -27.238 13.305 1.00 0.00 C ATOM 1176 O SER A 78 10.254 -26.949 13.330 1.00 0.00 O ATOM 1177 CB SER A 78 12.938 -26.634 11.388 1.00 0.00 C ATOM 1178 OG SER A 78 14.159 -26.446 12.081 1.00 0.00 O ATOM 0 H SER A 78 10.148 -27.967 11.315 1.00 0.00 H new ATOM 0 HA SER A 78 12.764 -28.580 12.281 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.142 -26.880 10.346 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.368 -25.705 11.390 1.00 0.00 H new ATOM 0 HG SER A 78 14.672 -25.730 11.652 1.00 0.00 H new ATOM 1184 N GLY A 79 12.241 -27.130 14.368 1.00 0.00 N ATOM 1185 CA GLY A 79 11.720 -26.655 15.637 1.00 0.00 C ATOM 1186 C GLY A 79 12.638 -26.978 16.798 1.00 0.00 C ATOM 1187 O GLY A 79 12.378 -27.884 17.590 1.00 0.00 O ATOM 0 H GLY A 79 13.234 -27.363 14.373 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.572 -25.576 15.584 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.742 -27.103 15.815 1.00 0.00 H new ATOM 1191 N PRO A 80 13.743 -26.226 16.911 1.00 0.00 N ATOM 1192 CA PRO A 80 14.726 -26.417 17.981 1.00 0.00 C ATOM 1193 C PRO A 80 14.187 -26.005 19.346 1.00 0.00 C ATOM 1194 O PRO A 80 13.019 -25.637 19.477 1.00 0.00 O ATOM 1195 CB PRO A 80 15.885 -25.508 17.566 1.00 0.00 C ATOM 1196 CG PRO A 80 15.256 -24.457 16.719 1.00 0.00 C ATOM 1197 CD PRO A 80 14.117 -25.127 16.003 1.00 0.00 C ATOM 0 HA PRO A 80 15.007 -27.464 18.092 1.00 0.00 H new ATOM 0 HB2 PRO A 80 16.378 -25.073 18.435 1.00 0.00 H new ATOM 0 HB3 PRO A 80 16.644 -26.061 17.012 1.00 0.00 H new ATOM 0 HG2 PRO A 80 14.899 -23.627 17.329 1.00 0.00 H new ATOM 0 HG3 PRO A 80 15.975 -24.046 16.010 1.00 0.00 H new ATOM 0 HD2 PRO A 80 13.286 -24.441 15.839 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.421 -25.500 15.025 1.00 0.00 H new ATOM 1205 N SER A 81 15.044 -26.066 20.360 1.00 0.00 N ATOM 1206 CA SER A 81 14.651 -25.702 21.716 1.00 0.00 C ATOM 1207 C SER A 81 15.337 -24.410 22.151 1.00 0.00 C ATOM 1208 O SER A 81 16.224 -23.904 21.465 1.00 0.00 O ATOM 1209 CB SER A 81 14.997 -26.829 22.691 1.00 0.00 C ATOM 1210 OG SER A 81 16.400 -27.010 22.786 1.00 0.00 O ATOM 0 H SER A 81 16.015 -26.364 20.268 1.00 0.00 H new ATOM 0 HA SER A 81 13.573 -25.543 21.725 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.589 -26.600 23.676 1.00 0.00 H new ATOM 0 HB3 SER A 81 14.529 -27.756 22.360 1.00 0.00 H new ATOM 0 HG SER A 81 16.594 -27.735 23.417 1.00 0.00 H new ATOM 1216 N SER A 82 14.920 -23.883 23.298 1.00 0.00 N ATOM 1217 CA SER A 82 15.490 -22.648 23.824 1.00 0.00 C ATOM 1218 C SER A 82 16.127 -22.883 25.190 1.00 0.00 C ATOM 1219 O SER A 82 17.322 -22.660 25.377 1.00 0.00 O ATOM 1220 CB SER A 82 14.412 -21.568 23.930 1.00 0.00 C ATOM 1221 OG SER A 82 14.955 -20.351 24.412 1.00 0.00 O ATOM 0 H SER A 82 14.190 -24.292 23.881 1.00 0.00 H new ATOM 0 HA SER A 82 16.264 -22.311 23.134 1.00 0.00 H new ATOM 0 HB2 SER A 82 13.958 -21.405 22.952 1.00 0.00 H new ATOM 0 HB3 SER A 82 13.619 -21.906 24.597 1.00 0.00 H new ATOM 0 HG SER A 82 14.246 -19.676 24.469 1.00 0.00 H new ATOM 1227 N GLY A 83 15.318 -23.337 26.142 1.00 0.00 N ATOM 1228 CA GLY A 83 15.819 -23.595 27.480 1.00 0.00 C ATOM 1229 C GLY A 83 16.491 -22.382 28.091 1.00 0.00 C ATOM 1230 O GLY A 83 16.762 -21.422 27.373 1.00 0.00 O ATOM 0 H GLY A 83 14.325 -23.531 26.011 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.994 -23.910 28.119 1.00 0.00 H new ATOM 0 HA3 GLY A 83 16.529 -24.421 27.446 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.647 -9.743 2.390 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.303 3.647 6.665 1.00 0.00 ZN