USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=20 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 42 ASN : amide:sc= -1.27 K(o=-2,f=-8.2!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -128:sc= -0.732 (180deg=-3.6!) USER MOD Set 2.1: A 13 HIS :FLIP no HD1:sc= -0.972 F(o=-3.4!,f=-1.4) USER MOD Set 2.2: A 46 TYR OH : rot 60:sc= -0.423 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0759 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0418 K(o=-0.042,f=-1.5!) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00995) 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=-0.11) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0526 K(o=-0.053,f=-0.58) USER MOD Single : A 29 THR OG1 : rot 145:sc= 0.337 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 44 GLN : amide:sc= -2.29! C(o=-2.3!,f=-2.5!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.424! C(o=-0.42!,f=-1.8!) USER MOD Single : A 52 ASN : amide:sc= -0.699 X(o=-0.7,f=-0.74) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -55:sc= 0.684 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 37:sc= 0.928 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 18:sc= 0.01 USER MOD Single : A 82 SER OG : rot -56:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.599 -0.297 -28.523 1.00 0.00 N ATOM 2 CA GLY A 1 -17.967 0.752 -27.743 1.00 0.00 C ATOM 3 C GLY A 1 -16.456 0.726 -27.855 1.00 0.00 C ATOM 4 O GLY A 1 -15.900 0.016 -28.694 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.375 0.108 -29.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.898 -0.727 -29.159 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.978 -1.025 -27.884 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.336 1.722 -28.077 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.253 0.645 -26.697 1.00 0.00 H new ATOM 8 N SER A 2 -15.788 1.504 -27.009 1.00 0.00 N ATOM 9 CA SER A 2 -14.332 1.573 -27.020 1.00 0.00 C ATOM 10 C SER A 2 -13.763 1.271 -25.637 1.00 0.00 C ATOM 11 O SER A 2 -13.954 2.039 -24.695 1.00 0.00 O ATOM 12 CB SER A 2 -13.868 2.954 -27.485 1.00 0.00 C ATOM 13 OG SER A 2 -13.821 3.028 -28.899 1.00 0.00 O ATOM 0 H SER A 2 -16.233 2.096 -26.307 1.00 0.00 H new ATOM 0 HA SER A 2 -13.963 0.821 -27.717 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.545 3.717 -27.100 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.881 3.167 -27.074 1.00 0.00 H new ATOM 0 HG SER A 2 -13.523 3.921 -29.170 1.00 0.00 H new ATOM 19 N SER A 3 -13.063 0.148 -25.524 1.00 0.00 N ATOM 20 CA SER A 3 -12.469 -0.259 -24.256 1.00 0.00 C ATOM 21 C SER A 3 -10.957 -0.050 -24.272 1.00 0.00 C ATOM 22 O SER A 3 -10.378 0.453 -23.310 1.00 0.00 O ATOM 23 CB SER A 3 -12.788 -1.727 -23.966 1.00 0.00 C ATOM 24 OG SER A 3 -14.186 -1.959 -23.993 1.00 0.00 O ATOM 0 H SER A 3 -12.893 -0.497 -26.296 1.00 0.00 H new ATOM 0 HA SER A 3 -12.897 0.361 -23.468 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.296 -2.362 -24.703 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.389 -2.003 -22.990 1.00 0.00 H new ATOM 0 HG SER A 3 -14.364 -2.904 -23.807 1.00 0.00 H new ATOM 30 N GLY A 4 -10.324 -0.439 -25.375 1.00 0.00 N ATOM 31 CA GLY A 4 -8.886 -0.287 -25.497 1.00 0.00 C ATOM 32 C GLY A 4 -8.126 -1.141 -24.501 1.00 0.00 C ATOM 33 O GLY A 4 -8.591 -1.367 -23.384 1.00 0.00 O ATOM 0 H GLY A 4 -10.781 -0.856 -26.186 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.580 -0.555 -26.508 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.621 0.760 -25.350 1.00 0.00 H new ATOM 37 N SER A 5 -6.953 -1.617 -24.908 1.00 0.00 N ATOM 38 CA SER A 5 -6.129 -2.456 -24.044 1.00 0.00 C ATOM 39 C SER A 5 -4.907 -1.690 -23.548 1.00 0.00 C ATOM 40 O SER A 5 -4.310 -0.905 -24.287 1.00 0.00 O ATOM 41 CB SER A 5 -5.686 -3.715 -24.793 1.00 0.00 C ATOM 42 OG SER A 5 -4.893 -3.385 -25.920 1.00 0.00 O ATOM 0 H SER A 5 -6.552 -1.437 -25.829 1.00 0.00 H new ATOM 0 HA SER A 5 -6.729 -2.746 -23.181 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.119 -4.361 -24.122 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.562 -4.279 -25.113 1.00 0.00 H new ATOM 0 HG SER A 5 -4.621 -4.206 -26.381 1.00 0.00 H new ATOM 48 N SER A 6 -4.540 -1.921 -22.292 1.00 0.00 N ATOM 49 CA SER A 6 -3.391 -1.251 -21.695 1.00 0.00 C ATOM 50 C SER A 6 -2.405 -2.265 -21.125 1.00 0.00 C ATOM 51 O SER A 6 -2.802 -3.280 -20.553 1.00 0.00 O ATOM 52 CB SER A 6 -3.850 -0.294 -20.592 1.00 0.00 C ATOM 53 OG SER A 6 -4.837 0.602 -21.072 1.00 0.00 O ATOM 0 H SER A 6 -5.022 -2.568 -21.668 1.00 0.00 H new ATOM 0 HA SER A 6 -2.888 -0.681 -22.476 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.250 -0.865 -19.754 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.996 0.269 -20.216 1.00 0.00 H new ATOM 0 HG SER A 6 -5.115 1.201 -20.348 1.00 0.00 H new ATOM 59 N GLY A 7 -1.116 -1.983 -21.288 1.00 0.00 N ATOM 60 CA GLY A 7 -0.091 -2.880 -20.786 1.00 0.00 C ATOM 61 C GLY A 7 1.043 -2.141 -20.103 1.00 0.00 C ATOM 62 O GLY A 7 1.810 -1.430 -20.752 1.00 0.00 O ATOM 0 H GLY A 7 -0.763 -1.150 -21.759 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.539 -3.581 -20.082 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.308 -3.469 -21.612 1.00 0.00 H new ATOM 66 N LYS A 8 1.149 -2.308 -18.790 1.00 0.00 N ATOM 67 CA LYS A 8 2.196 -1.652 -18.017 1.00 0.00 C ATOM 68 C LYS A 8 3.004 -2.670 -17.220 1.00 0.00 C ATOM 69 O LYS A 8 2.611 -3.831 -17.099 1.00 0.00 O ATOM 70 CB LYS A 8 1.587 -0.616 -17.070 1.00 0.00 C ATOM 71 CG LYS A 8 1.465 0.770 -17.682 1.00 0.00 C ATOM 72 CD LYS A 8 0.159 0.931 -18.441 1.00 0.00 C ATOM 73 CE LYS A 8 -0.993 1.262 -17.504 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.991 2.697 -17.107 1.00 0.00 N ATOM 0 H LYS A 8 0.522 -2.893 -18.238 1.00 0.00 H new ATOM 0 HA LYS A 8 2.865 -1.149 -18.715 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.599 -0.956 -16.760 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.199 -0.554 -16.170 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.525 1.523 -16.896 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.303 0.946 -18.356 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.264 1.722 -19.184 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.064 0.012 -18.983 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.938 1.021 -17.991 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.926 0.639 -16.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.791 2.882 -16.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.100 2.921 -16.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.080 3.292 -17.955 1.00 0.00 H new ATOM 88 N GLN A 9 4.134 -2.229 -16.675 1.00 0.00 N ATOM 89 CA GLN A 9 4.996 -3.104 -15.890 1.00 0.00 C ATOM 90 C GLN A 9 4.564 -3.122 -14.427 1.00 0.00 C ATOM 91 O GLN A 9 4.473 -2.077 -13.784 1.00 0.00 O ATOM 92 CB GLN A 9 6.453 -2.651 -15.998 1.00 0.00 C ATOM 93 CG GLN A 9 7.456 -3.751 -15.695 1.00 0.00 C ATOM 94 CD GLN A 9 7.612 -4.731 -16.840 1.00 0.00 C ATOM 95 OE1 GLN A 9 7.224 -4.445 -17.974 1.00 0.00 O ATOM 96 NE2 GLN A 9 8.183 -5.895 -16.552 1.00 0.00 N ATOM 0 H GLN A 9 4.473 -1.271 -16.763 1.00 0.00 H new ATOM 0 HA GLN A 9 4.907 -4.114 -16.290 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.634 -2.273 -17.004 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.618 -1.821 -15.311 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.424 -3.303 -15.471 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.140 -4.290 -14.802 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.490 -6.091 -15.599 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.315 -6.593 -17.284 1.00 0.00 H new ATOM 105 N ALA A 10 4.299 -4.316 -13.909 1.00 0.00 N ATOM 106 CA ALA A 10 3.878 -4.471 -12.521 1.00 0.00 C ATOM 107 C ALA A 10 4.724 -5.517 -11.804 1.00 0.00 C ATOM 108 O ALA A 10 5.315 -6.392 -12.436 1.00 0.00 O ATOM 109 CB ALA A 10 2.405 -4.844 -12.456 1.00 0.00 C ATOM 0 H ALA A 10 4.368 -5.191 -14.429 1.00 0.00 H new ATOM 0 HA ALA A 10 4.022 -3.517 -12.014 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.104 -4.957 -11.415 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.810 -4.059 -12.923 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.244 -5.784 -12.984 1.00 0.00 H new ATOM 115 N LYS A 11 4.778 -5.421 -10.480 1.00 0.00 N ATOM 116 CA LYS A 11 5.551 -6.359 -9.675 1.00 0.00 C ATOM 117 C LYS A 11 4.907 -6.562 -8.308 1.00 0.00 C ATOM 118 O LYS A 11 4.255 -5.662 -7.778 1.00 0.00 O ATOM 119 CB LYS A 11 6.987 -5.854 -9.504 1.00 0.00 C ATOM 120 CG LYS A 11 7.081 -4.527 -8.771 1.00 0.00 C ATOM 121 CD LYS A 11 8.394 -4.400 -8.015 1.00 0.00 C ATOM 122 CE LYS A 11 8.633 -2.972 -7.550 1.00 0.00 C ATOM 123 NZ LYS A 11 9.093 -2.096 -8.663 1.00 0.00 N ATOM 0 H LYS A 11 4.295 -4.702 -9.941 1.00 0.00 H new ATOM 0 HA LYS A 11 5.568 -7.317 -10.195 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.564 -6.602 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.446 -5.750 -10.487 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.990 -3.708 -9.485 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.248 -4.435 -8.074 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.385 -5.068 -7.153 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.216 -4.718 -8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.713 -2.569 -7.127 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.378 -2.969 -6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.326 -1.154 -8.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.938 -2.511 -9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.337 -2.010 -9.372 1.00 0.00 H new ATOM 137 N ILE A 12 5.095 -7.751 -7.742 1.00 0.00 N ATOM 138 CA ILE A 12 4.533 -8.071 -6.436 1.00 0.00 C ATOM 139 C ILE A 12 5.612 -8.064 -5.358 1.00 0.00 C ATOM 140 O ILE A 12 6.713 -8.575 -5.563 1.00 0.00 O ATOM 141 CB ILE A 12 3.839 -9.445 -6.443 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.842 -9.531 -7.600 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.138 -9.692 -5.114 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.306 -10.926 -7.834 1.00 0.00 C ATOM 0 H ILE A 12 5.632 -8.507 -8.168 1.00 0.00 H new ATOM 0 HA ILE A 12 3.794 -7.302 -6.213 1.00 0.00 H new ATOM 0 HB ILE A 12 4.596 -10.217 -6.582 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.008 -8.859 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.324 -9.178 -8.512 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.652 -10.667 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.870 -9.668 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.389 -8.917 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.605 -10.911 -8.669 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.132 -11.599 -8.065 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.794 -11.274 -6.937 1.00 0.00 H new ATOM 156 N HIS A 13 5.287 -7.484 -4.207 1.00 0.00 N ATOM 157 CA HIS A 13 6.227 -7.413 -3.093 1.00 0.00 C ATOM 158 C HIS A 13 5.970 -8.535 -2.092 1.00 0.00 C ATOM 159 O HIS A 13 5.018 -8.480 -1.314 1.00 0.00 O ATOM 160 CB HIS A 13 6.123 -6.056 -2.395 1.00 0.00 C ATOM 161 CG HIS A 13 6.078 -4.897 -3.342 1.00 0.00 C ATOM 162 ND1 HIS A 13 5.401 -4.727 -4.502 1.00 0.00 N flip ATOM 163 CD2 HIS A 13 6.791 -3.734 -3.142 1.00 0.00 C flip ATOM 164 CE1 HIS A 13 5.714 -3.477 -4.977 1.00 0.00 C flip ATOM 165 NE2 HIS A 13 6.553 -2.898 -4.138 1.00 0.00 N flip ATOM 0 H HIS A 13 4.380 -7.056 -4.021 1.00 0.00 H new ATOM 0 HA HIS A 13 7.234 -7.531 -3.492 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.226 -6.043 -1.775 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.975 -5.935 -1.726 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.442 -3.537 -2.303 1.00 0.00 H new ATOM 0 HE1 HIS A 13 5.335 -3.039 -5.889 1.00 0.00 H new ATOM 0 HE2 HIS A 13 6.950 -1.964 -4.241 1.00 0.00 H new ATOM 173 N TYR A 14 6.823 -9.553 -2.119 1.00 0.00 N ATOM 174 CA TYR A 14 6.686 -10.690 -1.216 1.00 0.00 C ATOM 175 C TYR A 14 7.173 -10.334 0.185 1.00 0.00 C ATOM 176 O TYR A 14 7.991 -11.045 0.768 1.00 0.00 O ATOM 177 CB TYR A 14 7.468 -11.890 -1.752 1.00 0.00 C ATOM 178 CG TYR A 14 7.088 -12.281 -3.161 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.755 -12.398 -3.536 1.00 0.00 C ATOM 180 CD2 TYR A 14 8.063 -12.531 -4.120 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.404 -12.756 -4.823 1.00 0.00 C ATOM 182 CE2 TYR A 14 7.720 -12.888 -5.409 1.00 0.00 C ATOM 183 CZ TYR A 14 6.390 -13.000 -5.757 1.00 0.00 C ATOM 184 OH TYR A 14 6.044 -13.354 -7.041 1.00 0.00 O ATOM 0 H TYR A 14 7.617 -9.614 -2.757 1.00 0.00 H new ATOM 0 HA TYR A 14 5.629 -10.951 -1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.533 -11.661 -1.723 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.307 -12.742 -1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.980 -12.206 -2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.106 -12.445 -3.852 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.363 -12.845 -5.097 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.490 -13.079 -6.142 1.00 0.00 H new ATOM 0 HH TYR A 14 6.856 -13.489 -7.573 1.00 0.00 H new ATOM 194 N ILE A 15 6.663 -9.229 0.719 1.00 0.00 N ATOM 195 CA ILE A 15 7.044 -8.780 2.052 1.00 0.00 C ATOM 196 C ILE A 15 6.178 -9.437 3.122 1.00 0.00 C ATOM 197 O ILE A 15 4.968 -9.582 2.955 1.00 0.00 O ATOM 198 CB ILE A 15 6.929 -7.250 2.184 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.236 -6.580 1.752 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.579 -6.866 3.614 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.253 -6.174 0.295 1.00 0.00 C ATOM 0 H ILE A 15 5.985 -8.629 0.249 1.00 0.00 H new ATOM 0 HA ILE A 15 8.084 -9.073 2.199 1.00 0.00 H new ATOM 0 HB ILE A 15 6.130 -6.903 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.404 -5.697 2.369 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.065 -7.263 1.940 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.501 -5.781 3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.626 -7.318 3.889 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.358 -7.223 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.209 -5.706 0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.117 -7.056 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.446 -5.467 0.105 1.00 0.00 H new ATOM 213 N LYS A 16 6.808 -9.832 4.223 1.00 0.00 N ATOM 214 CA LYS A 16 6.097 -10.472 5.324 1.00 0.00 C ATOM 215 C LYS A 16 5.163 -11.561 4.808 1.00 0.00 C ATOM 216 O LYS A 16 4.172 -11.899 5.455 1.00 0.00 O ATOM 217 CB LYS A 16 5.299 -9.433 6.115 1.00 0.00 C ATOM 218 CG LYS A 16 6.163 -8.361 6.756 1.00 0.00 C ATOM 219 CD LYS A 16 6.776 -8.844 8.060 1.00 0.00 C ATOM 220 CE LYS A 16 7.999 -8.023 8.438 1.00 0.00 C ATOM 221 NZ LYS A 16 8.895 -8.761 9.370 1.00 0.00 N ATOM 0 H LYS A 16 7.810 -9.720 4.377 1.00 0.00 H new ATOM 0 HA LYS A 16 6.835 -10.932 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.578 -8.957 5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.728 -9.941 6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.955 -8.071 6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.561 -7.472 6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.035 -8.782 8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.056 -9.893 7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.551 -7.758 7.537 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.681 -7.090 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.717 -8.168 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.376 -8.992 10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.219 -9.639 8.917 1.00 0.00 H new ATOM 235 N ASN A 17 5.486 -12.108 3.640 1.00 0.00 N ATOM 236 CA ASN A 17 4.675 -13.160 3.038 1.00 0.00 C ATOM 237 C ASN A 17 3.380 -12.590 2.467 1.00 0.00 C ATOM 238 O ASN A 17 2.335 -13.239 2.503 1.00 0.00 O ATOM 239 CB ASN A 17 4.357 -14.242 4.072 1.00 0.00 C ATOM 240 CG ASN A 17 4.201 -15.613 3.444 1.00 0.00 C ATOM 241 OD1 ASN A 17 5.106 -16.107 2.773 1.00 0.00 O ATOM 242 ND2 ASN A 17 3.047 -16.236 3.661 1.00 0.00 N ATOM 0 H ASN A 17 6.303 -11.840 3.092 1.00 0.00 H new ATOM 0 HA ASN A 17 5.247 -13.603 2.222 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.153 -14.275 4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.439 -13.980 4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.885 -17.162 3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.324 -15.788 4.224 1.00 0.00 H new ATOM 249 N HIS A 18 3.458 -11.372 1.940 1.00 0.00 N ATOM 250 CA HIS A 18 2.293 -10.714 1.360 1.00 0.00 C ATOM 251 C HIS A 18 2.432 -10.598 -0.154 1.00 0.00 C ATOM 252 O HIS A 18 3.432 -11.030 -0.729 1.00 0.00 O ATOM 253 CB HIS A 18 2.107 -9.327 1.974 1.00 0.00 C ATOM 254 CG HIS A 18 1.374 -9.342 3.280 1.00 0.00 C ATOM 255 ND1 HIS A 18 0.016 -9.132 3.384 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.819 -9.548 4.541 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.343 -9.205 4.654 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.733 -9.456 5.377 1.00 0.00 N ATOM 0 H HIS A 18 4.316 -10.821 1.903 1.00 0.00 H new ATOM 0 HA HIS A 18 1.416 -11.322 1.581 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.086 -8.870 2.122 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.564 -8.697 1.270 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.839 -9.748 4.836 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.346 -9.081 5.035 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.754 -9.564 6.391 1.00 0.00 H new ATOM 266 N GLU A 19 1.423 -10.016 -0.794 1.00 0.00 N ATOM 267 CA GLU A 19 1.434 -9.846 -2.243 1.00 0.00 C ATOM 268 C GLU A 19 1.168 -8.392 -2.623 1.00 0.00 C ATOM 269 O GLU A 19 0.632 -8.106 -3.693 1.00 0.00 O ATOM 270 CB GLU A 19 0.387 -10.753 -2.892 1.00 0.00 C ATOM 271 CG GLU A 19 0.845 -12.193 -3.051 1.00 0.00 C ATOM 272 CD GLU A 19 0.684 -13.001 -1.776 1.00 0.00 C ATOM 273 OE1 GLU A 19 0.634 -12.389 -0.689 1.00 0.00 O ATOM 274 OE2 GLU A 19 0.608 -14.243 -1.868 1.00 0.00 O ATOM 0 H GLU A 19 0.588 -9.654 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 19 2.423 -10.124 -2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.522 -10.734 -2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.129 -10.352 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.275 -12.666 -3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.892 -12.206 -3.355 1.00 0.00 H new ATOM 281 N PHE A 20 1.546 -7.477 -1.736 1.00 0.00 N ATOM 282 CA PHE A 20 1.348 -6.052 -1.977 1.00 0.00 C ATOM 283 C PHE A 20 1.701 -5.689 -3.416 1.00 0.00 C ATOM 284 O PHE A 20 2.850 -5.824 -3.837 1.00 0.00 O ATOM 285 CB PHE A 20 2.197 -5.227 -1.008 1.00 0.00 C ATOM 286 CG PHE A 20 1.875 -5.482 0.437 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.583 -5.321 0.912 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.864 -5.882 1.321 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.284 -5.554 2.241 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.572 -6.116 2.651 1.00 0.00 C ATOM 291 CZ PHE A 20 1.280 -5.953 3.112 1.00 0.00 C ATOM 0 H PHE A 20 1.991 -7.697 -0.845 1.00 0.00 H new ATOM 0 HA PHE A 20 0.295 -5.824 -1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.250 -5.448 -1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.054 -4.168 -1.223 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.199 -5.010 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.876 -6.012 0.966 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.727 -5.424 2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.353 -6.426 3.329 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.049 -6.137 4.151 1.00 0.00 H new ATOM 301 N ILE A 21 0.705 -5.228 -4.164 1.00 0.00 N ATOM 302 CA ILE A 21 0.910 -4.845 -5.556 1.00 0.00 C ATOM 303 C ILE A 21 0.688 -3.349 -5.753 1.00 0.00 C ATOM 304 O ILE A 21 -0.350 -2.810 -5.370 1.00 0.00 O ATOM 305 CB ILE A 21 -0.031 -5.621 -6.498 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.509 -7.031 -6.743 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.195 -4.874 -7.813 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.291 -7.815 -7.761 1.00 0.00 C ATOM 0 H ILE A 21 -0.252 -5.110 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 21 1.943 -5.092 -5.803 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.010 -5.704 -6.025 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.543 -6.962 -7.080 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.517 -7.577 -5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.862 -5.434 -8.469 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.618 -3.888 -7.621 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.777 -4.764 -8.293 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.148 -8.805 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.320 -7.915 -7.416 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.278 -7.290 -8.716 1.00 0.00 H new ATOM 320 N ALA A 22 1.669 -2.685 -6.354 1.00 0.00 N ATOM 321 CA ALA A 22 1.579 -1.253 -6.606 1.00 0.00 C ATOM 322 C ALA A 22 0.225 -0.883 -7.203 1.00 0.00 C ATOM 323 O ALA A 22 -0.167 -1.403 -8.248 1.00 0.00 O ATOM 324 CB ALA A 22 2.703 -0.807 -7.529 1.00 0.00 C ATOM 0 H ALA A 22 2.536 -3.116 -6.676 1.00 0.00 H new ATOM 0 HA ALA A 22 1.680 -0.736 -5.652 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.623 0.265 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.664 -1.026 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.628 -1.340 -8.477 1.00 0.00 H new ATOM 330 N THR A 23 -0.488 0.016 -6.531 1.00 0.00 N ATOM 331 CA THR A 23 -1.799 0.453 -6.993 1.00 0.00 C ATOM 332 C THR A 23 -2.042 1.918 -6.650 1.00 0.00 C ATOM 333 O THR A 23 -1.562 2.416 -5.632 1.00 0.00 O ATOM 334 CB THR A 23 -2.924 -0.401 -6.378 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.159 -0.145 -7.058 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.083 -0.099 -4.896 1.00 0.00 C ATOM 0 H THR A 23 -0.179 0.456 -5.664 1.00 0.00 H new ATOM 0 HA THR A 23 -1.811 0.330 -8.076 1.00 0.00 H new ATOM 0 HB THR A 23 -2.658 -1.452 -6.492 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.869 -0.692 -6.663 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.883 -0.714 -4.483 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.150 -0.321 -4.377 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.330 0.954 -4.764 1.00 0.00 H new ATOM 344 N PHE A 24 -2.793 2.604 -7.507 1.00 0.00 N ATOM 345 CA PHE A 24 -3.100 4.014 -7.293 1.00 0.00 C ATOM 346 C PHE A 24 -4.458 4.178 -6.618 1.00 0.00 C ATOM 347 O PHE A 24 -5.500 3.909 -7.217 1.00 0.00 O ATOM 348 CB PHE A 24 -3.087 4.767 -8.626 1.00 0.00 C ATOM 349 CG PHE A 24 -3.076 6.261 -8.469 1.00 0.00 C ATOM 350 CD1 PHE A 24 -1.945 6.914 -8.007 1.00 0.00 C ATOM 351 CD2 PHE A 24 -4.197 7.011 -8.785 1.00 0.00 C ATOM 352 CE1 PHE A 24 -1.932 8.289 -7.862 1.00 0.00 C ATOM 353 CE2 PHE A 24 -4.190 8.386 -8.642 1.00 0.00 C ATOM 354 CZ PHE A 24 -3.057 9.025 -8.179 1.00 0.00 C ATOM 0 H PHE A 24 -3.199 2.207 -8.354 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.335 4.432 -6.638 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.210 4.463 -9.198 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.962 4.477 -9.207 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.063 6.343 -7.757 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.086 6.516 -9.147 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.044 8.787 -7.502 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.070 8.960 -8.892 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.050 10.099 -8.065 1.00 0.00 H new ATOM 364 N PHE A 25 -4.439 4.620 -5.365 1.00 0.00 N ATOM 365 CA PHE A 25 -5.668 4.819 -4.605 1.00 0.00 C ATOM 366 C PHE A 25 -6.269 6.191 -4.893 1.00 0.00 C ATOM 367 O PHE A 25 -6.088 7.135 -4.124 1.00 0.00 O ATOM 368 CB PHE A 25 -5.395 4.674 -3.106 1.00 0.00 C ATOM 369 CG PHE A 25 -4.628 3.431 -2.754 1.00 0.00 C ATOM 370 CD1 PHE A 25 -3.252 3.381 -2.914 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.283 2.313 -2.265 1.00 0.00 C ATOM 372 CE1 PHE A 25 -2.544 2.239 -2.591 1.00 0.00 C ATOM 373 CE2 PHE A 25 -4.580 1.168 -1.939 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.208 1.131 -2.104 1.00 0.00 C ATOM 0 H PHE A 25 -3.586 4.847 -4.854 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.383 4.056 -4.913 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.838 5.545 -2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.344 4.669 -2.571 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.727 4.244 -3.295 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.355 2.336 -2.137 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.472 2.213 -2.719 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.102 0.304 -1.556 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.657 0.237 -1.852 1.00 0.00 H new ATOM 384 N GLY A 26 -6.986 6.295 -6.008 1.00 0.00 N ATOM 385 CA GLY A 26 -7.603 7.555 -6.379 1.00 0.00 C ATOM 386 C GLY A 26 -8.332 8.207 -5.221 1.00 0.00 C ATOM 387 O GLY A 26 -8.600 9.408 -5.246 1.00 0.00 O ATOM 0 H GLY A 26 -7.150 5.529 -6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.837 8.235 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.304 7.386 -7.197 1.00 0.00 H new ATOM 391 N GLN A 27 -8.654 7.413 -4.205 1.00 0.00 N ATOM 392 CA GLN A 27 -9.359 7.921 -3.034 1.00 0.00 C ATOM 393 C GLN A 27 -8.545 7.689 -1.765 1.00 0.00 C ATOM 394 O GLN A 27 -7.670 6.824 -1.709 1.00 0.00 O ATOM 395 CB GLN A 27 -10.728 7.250 -2.906 1.00 0.00 C ATOM 396 CG GLN A 27 -11.790 7.859 -3.807 1.00 0.00 C ATOM 397 CD GLN A 27 -13.184 7.754 -3.219 1.00 0.00 C ATOM 398 OE1 GLN A 27 -13.398 8.054 -2.044 1.00 0.00 O ATOM 399 NE2 GLN A 27 -14.141 7.328 -4.035 1.00 0.00 N ATOM 0 H GLN A 27 -8.438 6.417 -4.169 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.499 8.994 -3.163 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.628 6.190 -3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.061 7.316 -1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -11.553 8.908 -3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.770 7.359 -4.775 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.919 7.090 -5.002 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.099 7.238 -3.695 1.00 0.00 H new ATOM 408 N PRO A 28 -8.837 8.478 -0.721 1.00 0.00 N ATOM 409 CA PRO A 28 -8.144 8.376 0.567 1.00 0.00 C ATOM 410 C PRO A 28 -8.492 7.094 1.314 1.00 0.00 C ATOM 411 O PRO A 28 -9.460 7.048 2.074 1.00 0.00 O ATOM 412 CB PRO A 28 -8.649 9.598 1.338 1.00 0.00 C ATOM 413 CG PRO A 28 -9.976 9.906 0.735 1.00 0.00 C ATOM 414 CD PRO A 28 -9.869 9.529 -0.716 1.00 0.00 C ATOM 0 HA PRO A 28 -7.061 8.348 0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.738 9.385 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.964 10.440 1.238 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.769 9.342 1.227 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.220 10.963 0.847 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.818 9.162 -1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.579 10.380 -1.332 1.00 0.00 H new ATOM 422 N THR A 29 -7.697 6.052 1.093 1.00 0.00 N ATOM 423 CA THR A 29 -7.922 4.767 1.745 1.00 0.00 C ATOM 424 C THR A 29 -7.435 4.791 3.189 1.00 0.00 C ATOM 425 O THR A 29 -6.523 5.543 3.536 1.00 0.00 O ATOM 426 CB THR A 29 -7.213 3.625 0.994 1.00 0.00 C ATOM 427 OG1 THR A 29 -7.562 3.659 -0.395 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.590 2.273 1.584 1.00 0.00 C ATOM 0 H THR A 29 -6.891 6.072 0.468 1.00 0.00 H new ATOM 0 HA THR A 29 -8.997 4.588 1.730 1.00 0.00 H new ATOM 0 HB THR A 29 -6.137 3.764 1.101 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.792 3.379 -0.933 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.077 1.482 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.296 2.239 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.668 2.129 1.505 1.00 0.00 H new ATOM 436 N PHE A 30 -8.047 3.962 4.029 1.00 0.00 N ATOM 437 CA PHE A 30 -7.674 3.888 5.437 1.00 0.00 C ATOM 438 C PHE A 30 -6.548 2.880 5.650 1.00 0.00 C ATOM 439 O PHE A 30 -6.782 1.673 5.706 1.00 0.00 O ATOM 440 CB PHE A 30 -8.887 3.502 6.287 1.00 0.00 C ATOM 441 CG PHE A 30 -8.632 3.581 7.765 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.347 4.796 8.369 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.678 2.442 8.551 1.00 0.00 C ATOM 444 CE1 PHE A 30 -8.112 4.871 9.728 1.00 0.00 C ATOM 445 CE2 PHE A 30 -8.444 2.510 9.912 1.00 0.00 C ATOM 446 CZ PHE A 30 -8.161 3.727 10.501 1.00 0.00 C ATOM 0 H PHE A 30 -8.803 3.333 3.759 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.320 4.872 5.746 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.721 4.157 6.035 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.191 2.487 6.032 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.308 5.694 7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.899 1.488 8.095 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.890 5.823 10.186 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.482 1.614 10.513 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.978 3.784 11.564 1.00 0.00 H new ATOM 456 N CYS A 31 -5.324 3.386 5.767 1.00 0.00 N ATOM 457 CA CYS A 31 -4.161 2.532 5.972 1.00 0.00 C ATOM 458 C CYS A 31 -4.394 1.565 7.129 1.00 0.00 C ATOM 459 O CYS A 31 -5.312 1.745 7.928 1.00 0.00 O ATOM 460 CB CYS A 31 -2.920 3.384 6.247 1.00 0.00 C ATOM 461 SG CYS A 31 -1.362 2.441 6.273 1.00 0.00 S ATOM 0 H CYS A 31 -5.113 4.383 5.723 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.002 1.952 5.063 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.850 4.161 5.485 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.043 3.888 7.206 1.00 0.00 H new ATOM 466 N SER A 32 -3.554 0.537 7.212 1.00 0.00 N ATOM 467 CA SER A 32 -3.669 -0.461 8.268 1.00 0.00 C ATOM 468 C SER A 32 -2.536 -0.316 9.280 1.00 0.00 C ATOM 469 O SER A 32 -2.694 -0.637 10.457 1.00 0.00 O ATOM 470 CB SER A 32 -3.658 -1.870 7.671 1.00 0.00 C ATOM 471 OG SER A 32 -3.489 -2.850 8.680 1.00 0.00 O ATOM 0 H SER A 32 -2.787 0.374 6.560 1.00 0.00 H new ATOM 0 HA SER A 32 -4.616 -0.300 8.784 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.592 -2.050 7.138 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.853 -1.953 6.941 1.00 0.00 H new ATOM 0 HG SER A 32 -3.487 -3.742 8.273 1.00 0.00 H new ATOM 477 N VAL A 33 -1.392 0.172 8.810 1.00 0.00 N ATOM 478 CA VAL A 33 -0.231 0.360 9.672 1.00 0.00 C ATOM 479 C VAL A 33 -0.350 1.648 10.478 1.00 0.00 C ATOM 480 O VAL A 33 -0.549 1.617 11.694 1.00 0.00 O ATOM 481 CB VAL A 33 1.075 0.399 8.855 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.244 0.809 9.736 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.335 -0.952 8.205 1.00 0.00 C ATOM 0 H VAL A 33 -1.245 0.444 7.838 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.200 -0.491 10.352 1.00 0.00 H new ATOM 0 HB VAL A 33 0.968 1.143 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.157 0.831 9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.057 1.800 10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.357 0.091 10.548 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.261 -0.908 7.632 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.422 -1.716 8.977 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.508 -1.201 7.540 1.00 0.00 H new ATOM 493 N CYS A 34 -0.227 2.781 9.796 1.00 0.00 N ATOM 494 CA CYS A 34 -0.320 4.082 10.448 1.00 0.00 C ATOM 495 C CYS A 34 -1.775 4.531 10.561 1.00 0.00 C ATOM 496 O CYS A 34 -2.143 5.254 11.486 1.00 0.00 O ATOM 497 CB CYS A 34 0.488 5.124 9.672 1.00 0.00 C ATOM 498 SG CYS A 34 -0.264 5.619 8.088 1.00 0.00 S ATOM 0 H CYS A 34 -0.062 2.825 8.790 1.00 0.00 H new ATOM 0 HA CYS A 34 0.092 3.987 11.453 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.613 6.009 10.295 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.485 4.726 9.480 1.00 0.00 H new ATOM 503 N LYS A 35 -2.597 4.095 9.613 1.00 0.00 N ATOM 504 CA LYS A 35 -4.011 4.449 9.605 1.00 0.00 C ATOM 505 C LYS A 35 -4.203 5.920 9.249 1.00 0.00 C ATOM 506 O LYS A 35 -4.899 6.653 9.951 1.00 0.00 O ATOM 507 CB LYS A 35 -4.639 4.159 10.971 1.00 0.00 C ATOM 508 CG LYS A 35 -4.280 2.791 11.525 1.00 0.00 C ATOM 509 CD LYS A 35 -5.293 1.737 11.110 1.00 0.00 C ATOM 510 CE LYS A 35 -5.227 0.515 12.013 1.00 0.00 C ATOM 511 NZ LYS A 35 -6.373 -0.408 11.781 1.00 0.00 N ATOM 0 H LYS A 35 -2.308 3.496 8.840 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.506 3.842 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.319 4.924 11.679 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.723 4.235 10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.289 2.503 11.173 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.230 2.840 12.613 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -6.296 2.162 11.144 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.107 1.439 10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.291 -0.016 11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.222 0.833 13.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.292 -1.228 12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.265 0.091 11.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.363 -0.732 10.793 1.00 0.00 H new ATOM 525 N ASP A 36 -3.581 6.344 8.154 1.00 0.00 N ATOM 526 CA ASP A 36 -3.686 7.727 7.703 1.00 0.00 C ATOM 527 C ASP A 36 -4.659 7.846 6.535 1.00 0.00 C ATOM 528 O ASP A 36 -5.302 6.871 6.147 1.00 0.00 O ATOM 529 CB ASP A 36 -2.310 8.257 7.293 1.00 0.00 C ATOM 530 CG ASP A 36 -1.572 8.904 8.448 1.00 0.00 C ATOM 531 OD1 ASP A 36 -2.241 9.422 9.366 1.00 0.00 O ATOM 532 OD2 ASP A 36 -0.323 8.890 8.434 1.00 0.00 O ATOM 0 H ASP A 36 -2.999 5.750 7.563 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.066 8.325 8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.711 7.437 6.897 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.428 8.983 6.489 1.00 0.00 H new ATOM 537 N PHE A 37 -4.764 9.049 5.979 1.00 0.00 N ATOM 538 CA PHE A 37 -5.661 9.297 4.857 1.00 0.00 C ATOM 539 C PHE A 37 -5.252 8.470 3.640 1.00 0.00 C ATOM 540 O PHE A 37 -6.090 7.840 2.994 1.00 0.00 O ATOM 541 CB PHE A 37 -5.666 10.784 4.498 1.00 0.00 C ATOM 542 CG PHE A 37 -5.794 11.688 5.691 1.00 0.00 C ATOM 543 CD1 PHE A 37 -6.935 11.664 6.475 1.00 0.00 C ATOM 544 CD2 PHE A 37 -4.772 12.561 6.027 1.00 0.00 C ATOM 545 CE1 PHE A 37 -7.056 12.494 7.574 1.00 0.00 C ATOM 546 CE2 PHE A 37 -4.887 13.393 7.125 1.00 0.00 C ATOM 547 CZ PHE A 37 -6.031 13.361 7.898 1.00 0.00 C ATOM 0 H PHE A 37 -4.239 9.867 6.288 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.666 9.000 5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.745 11.025 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.490 10.981 3.812 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.740 10.989 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -3.876 12.592 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.951 12.464 8.178 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.083 14.068 7.378 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.124 14.013 8.754 1.00 0.00 H new ATOM 557 N VAL A 38 -3.958 8.479 3.335 1.00 0.00 N ATOM 558 CA VAL A 38 -3.437 7.730 2.198 1.00 0.00 C ATOM 559 C VAL A 38 -3.939 8.312 0.880 1.00 0.00 C ATOM 560 O VAL A 38 -4.469 7.592 0.034 1.00 0.00 O ATOM 561 CB VAL A 38 -3.834 6.244 2.274 1.00 0.00 C ATOM 562 CG1 VAL A 38 -3.052 5.430 1.255 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.615 5.706 3.680 1.00 0.00 C ATOM 0 H VAL A 38 -3.252 8.996 3.859 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.351 7.810 2.238 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.894 6.156 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.346 4.383 1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.264 5.802 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.985 5.522 1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.901 4.655 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.563 5.806 3.948 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.224 6.272 4.385 1.00 0.00 H new ATOM 573 N TRP A 39 -3.766 9.618 0.714 1.00 0.00 N ATOM 574 CA TRP A 39 -4.201 10.297 -0.502 1.00 0.00 C ATOM 575 C TRP A 39 -3.138 11.275 -0.990 1.00 0.00 C ATOM 576 O TRP A 39 -2.353 11.798 -0.200 1.00 0.00 O ATOM 577 CB TRP A 39 -5.517 11.037 -0.254 1.00 0.00 C ATOM 578 CG TRP A 39 -5.326 12.421 0.288 1.00 0.00 C ATOM 579 CD1 TRP A 39 -4.457 12.805 1.268 1.00 0.00 C ATOM 580 CD2 TRP A 39 -6.022 13.604 -0.121 1.00 0.00 C ATOM 581 NE1 TRP A 39 -4.570 14.156 1.495 1.00 0.00 N ATOM 582 CE2 TRP A 39 -5.524 14.669 0.655 1.00 0.00 C ATOM 583 CE3 TRP A 39 -7.016 13.868 -1.067 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -5.987 15.974 0.513 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -7.475 15.165 -1.207 1.00 0.00 C ATOM 586 CH2 TRP A 39 -6.960 16.205 -0.421 1.00 0.00 C ATOM 0 H TRP A 39 -3.328 10.228 1.405 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.356 9.543 -1.274 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.075 11.094 -1.188 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.123 10.461 0.445 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.780 12.144 1.789 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -4.032 14.690 2.177 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.419 13.073 -1.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.592 16.776 1.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.244 15.380 -1.935 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.338 17.208 -0.555 1.00 0.00 H new ATOM 597 N GLY A 40 -3.118 11.516 -2.297 1.00 0.00 N ATOM 598 CA GLY A 40 -2.145 12.431 -2.867 1.00 0.00 C ATOM 599 C GLY A 40 -2.313 12.597 -4.365 1.00 0.00 C ATOM 600 O GLY A 40 -3.417 12.452 -4.893 1.00 0.00 O ATOM 0 H GLY A 40 -3.757 11.095 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.239 13.404 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.140 12.066 -2.655 1.00 0.00 H new ATOM 604 N LEU A 41 -1.219 12.904 -5.051 1.00 0.00 N ATOM 605 CA LEU A 41 -1.250 13.091 -6.497 1.00 0.00 C ATOM 606 C LEU A 41 -0.450 12.002 -7.205 1.00 0.00 C ATOM 607 O LEU A 41 -0.995 11.231 -7.991 1.00 0.00 O ATOM 608 CB LEU A 41 -0.694 14.469 -6.864 1.00 0.00 C ATOM 609 CG LEU A 41 0.293 15.081 -5.870 1.00 0.00 C ATOM 610 CD1 LEU A 41 1.078 16.208 -6.523 1.00 0.00 C ATOM 611 CD2 LEU A 41 -0.437 15.582 -4.633 1.00 0.00 C ATOM 0 H LEU A 41 -0.299 13.029 -4.629 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.287 13.025 -6.825 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.202 14.394 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.531 15.156 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 41 0.997 14.307 -5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.776 16.632 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.632 15.818 -7.377 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.390 16.983 -6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.282 16.014 -3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.164 16.341 -4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.952 14.750 -4.153 1.00 0.00 H new ATOM 623 N ASN A 42 0.846 11.947 -6.918 1.00 0.00 N ATOM 624 CA ASN A 42 1.722 10.951 -7.526 1.00 0.00 C ATOM 625 C ASN A 42 2.104 9.873 -6.517 1.00 0.00 C ATOM 626 O ASN A 42 1.992 8.678 -6.794 1.00 0.00 O ATOM 627 CB ASN A 42 2.983 11.619 -8.078 1.00 0.00 C ATOM 628 CG ASN A 42 3.808 12.282 -6.991 1.00 0.00 C ATOM 629 OD1 ASN A 42 4.632 11.639 -6.343 1.00 0.00 O ATOM 630 ND2 ASN A 42 3.589 13.577 -6.789 1.00 0.00 N ATOM 0 H ASN A 42 1.313 12.580 -6.269 1.00 0.00 H new ATOM 0 HA ASN A 42 1.180 10.480 -8.346 1.00 0.00 H new ATOM 0 HB2 ASN A 42 3.592 10.873 -8.589 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.701 12.364 -8.822 1.00 0.00 H new ATOM 0 HD21 ASN A 42 4.115 14.077 -6.072 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.895 14.071 -7.351 1.00 0.00 H new ATOM 637 N LYS A 43 2.554 10.302 -5.343 1.00 0.00 N ATOM 638 CA LYS A 43 2.951 9.377 -4.289 1.00 0.00 C ATOM 639 C LYS A 43 1.858 8.344 -4.032 1.00 0.00 C ATOM 640 O LYS A 43 0.882 8.622 -3.335 1.00 0.00 O ATOM 641 CB LYS A 43 3.260 10.140 -2.999 1.00 0.00 C ATOM 642 CG LYS A 43 4.308 9.467 -2.130 1.00 0.00 C ATOM 643 CD LYS A 43 5.706 9.958 -2.462 1.00 0.00 C ATOM 644 CE LYS A 43 6.353 9.110 -3.548 1.00 0.00 C ATOM 645 NZ LYS A 43 6.068 9.641 -4.909 1.00 0.00 N ATOM 0 H LYS A 43 2.653 11.287 -5.097 1.00 0.00 H new ATOM 0 HA LYS A 43 3.850 8.856 -4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.601 11.144 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.341 10.252 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.092 9.664 -1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.258 8.387 -2.269 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.660 10.997 -2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.324 9.934 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.431 9.077 -3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.989 8.085 -3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.688 8.879 -5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.370 10.409 -4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.946 10.006 -5.330 1.00 0.00 H new ATOM 659 N GLN A 44 2.029 7.153 -4.597 1.00 0.00 N ATOM 660 CA GLN A 44 1.057 6.081 -4.427 1.00 0.00 C ATOM 661 C GLN A 44 1.466 5.150 -3.291 1.00 0.00 C ATOM 662 O GLN A 44 2.575 5.243 -2.766 1.00 0.00 O ATOM 663 CB GLN A 44 0.910 5.286 -5.726 1.00 0.00 C ATOM 664 CG GLN A 44 2.211 4.666 -6.210 1.00 0.00 C ATOM 665 CD GLN A 44 3.088 5.656 -6.950 1.00 0.00 C ATOM 666 OE1 GLN A 44 2.664 6.264 -7.934 1.00 0.00 O ATOM 667 NE2 GLN A 44 4.320 5.823 -6.482 1.00 0.00 N ATOM 0 H GLN A 44 2.832 6.907 -5.176 1.00 0.00 H new ATOM 0 HA GLN A 44 0.097 6.532 -4.175 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.174 4.496 -5.577 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.520 5.944 -6.503 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.759 4.268 -5.356 1.00 0.00 H new ATOM 0 HG3 GLN A 44 1.987 3.824 -6.865 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.630 5.299 -5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 44 4.956 6.475 -6.941 1.00 0.00 H new ATOM 676 N GLY A 45 0.562 4.250 -2.914 1.00 0.00 N ATOM 677 CA GLY A 45 0.848 3.314 -1.843 1.00 0.00 C ATOM 678 C GLY A 45 0.857 1.874 -2.315 1.00 0.00 C ATOM 679 O GLY A 45 1.185 1.595 -3.469 1.00 0.00 O ATOM 0 H GLY A 45 -0.363 4.153 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.816 3.555 -1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.103 3.430 -1.056 1.00 0.00 H new ATOM 683 N TYR A 46 0.498 0.958 -1.423 1.00 0.00 N ATOM 684 CA TYR A 46 0.470 -0.462 -1.755 1.00 0.00 C ATOM 685 C TYR A 46 -0.826 -1.107 -1.276 1.00 0.00 C ATOM 686 O TYR A 46 -1.415 -0.682 -0.282 1.00 0.00 O ATOM 687 CB TYR A 46 1.670 -1.176 -1.131 1.00 0.00 C ATOM 688 CG TYR A 46 2.997 -0.758 -1.722 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.200 -0.758 -3.097 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.050 -0.363 -0.906 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.411 -0.379 -3.641 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.264 0.020 -1.441 1.00 0.00 C ATOM 693 CZ TYR A 46 5.440 0.010 -2.809 1.00 0.00 C ATOM 694 OH TYR A 46 6.648 0.390 -3.347 1.00 0.00 O ATOM 0 H TYR A 46 0.222 1.173 -0.465 1.00 0.00 H new ATOM 0 HA TYR A 46 0.523 -0.558 -2.840 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.681 -0.980 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.548 -2.252 -1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.396 -1.060 -3.752 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.917 -0.355 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.552 -0.387 -4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.071 0.326 -0.792 1.00 0.00 H new ATOM 0 HH TYR A 46 6.515 1.160 -3.938 1.00 0.00 H new ATOM 704 N LYS A 47 -1.266 -2.138 -1.990 1.00 0.00 N ATOM 705 CA LYS A 47 -2.491 -2.846 -1.639 1.00 0.00 C ATOM 706 C LYS A 47 -2.377 -4.330 -1.975 1.00 0.00 C ATOM 707 O LYS A 47 -2.216 -4.703 -3.137 1.00 0.00 O ATOM 708 CB LYS A 47 -3.686 -2.236 -2.374 1.00 0.00 C ATOM 709 CG LYS A 47 -4.922 -3.119 -2.366 1.00 0.00 C ATOM 710 CD LYS A 47 -6.151 -2.362 -2.838 1.00 0.00 C ATOM 711 CE LYS A 47 -7.418 -2.893 -2.184 1.00 0.00 C ATOM 712 NZ LYS A 47 -8.520 -1.892 -2.215 1.00 0.00 N ATOM 0 H LYS A 47 -0.791 -2.502 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.644 -2.745 -0.564 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.932 -1.277 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.402 -2.033 -3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.757 -3.983 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.092 -3.499 -1.359 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.038 -1.303 -2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.237 -2.445 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.738 -3.801 -2.696 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.206 -3.167 -1.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -9.365 -2.292 -1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.225 -1.035 -1.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.740 -1.649 -3.202 1.00 0.00 H new ATOM 726 N CYS A 48 -2.463 -5.172 -0.951 1.00 0.00 N ATOM 727 CA CYS A 48 -2.371 -6.615 -1.137 1.00 0.00 C ATOM 728 C CYS A 48 -3.595 -7.147 -1.876 1.00 0.00 C ATOM 729 O CYS A 48 -4.722 -7.029 -1.396 1.00 0.00 O ATOM 730 CB CYS A 48 -2.233 -7.317 0.215 1.00 0.00 C ATOM 731 SG CYS A 48 -1.731 -9.065 0.099 1.00 0.00 S ATOM 0 H CYS A 48 -2.596 -4.880 0.017 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.486 -6.823 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.501 -6.779 0.818 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.185 -7.258 0.742 1.00 0.00 H new ATOM 736 N ARG A 49 -3.364 -7.733 -3.047 1.00 0.00 N ATOM 737 CA ARG A 49 -4.446 -8.283 -3.853 1.00 0.00 C ATOM 738 C ARG A 49 -4.913 -9.625 -3.296 1.00 0.00 C ATOM 739 O ARG A 49 -5.689 -10.336 -3.933 1.00 0.00 O ATOM 740 CB ARG A 49 -3.996 -8.450 -5.305 1.00 0.00 C ATOM 741 CG ARG A 49 -2.664 -9.169 -5.450 1.00 0.00 C ATOM 742 CD ARG A 49 -2.577 -9.918 -6.770 1.00 0.00 C ATOM 743 NE ARG A 49 -3.576 -10.979 -6.864 1.00 0.00 N ATOM 744 CZ ARG A 49 -3.452 -12.038 -7.656 1.00 0.00 C ATOM 745 NH1 ARG A 49 -2.375 -12.178 -8.417 1.00 0.00 N ATOM 746 NH2 ARG A 49 -4.404 -12.962 -7.687 1.00 0.00 N ATOM 0 H ARG A 49 -2.436 -7.839 -3.458 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.282 -7.584 -3.817 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.760 -9.003 -5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.921 -7.467 -5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.850 -8.447 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.535 -9.869 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.714 -9.218 -7.594 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.581 -10.347 -6.878 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.415 -10.903 -6.290 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.640 -11.472 -8.395 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.282 -12.992 -9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.233 -12.860 -7.102 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.307 -13.774 -8.296 1.00 0.00 H new ATOM 760 N GLN A 50 -4.433 -9.963 -2.104 1.00 0.00 N ATOM 761 CA GLN A 50 -4.800 -11.220 -1.462 1.00 0.00 C ATOM 762 C GLN A 50 -5.715 -10.975 -0.268 1.00 0.00 C ATOM 763 O GLN A 50 -6.844 -11.465 -0.227 1.00 0.00 O ATOM 764 CB GLN A 50 -3.545 -11.972 -1.011 1.00 0.00 C ATOM 765 CG GLN A 50 -2.591 -12.299 -2.148 1.00 0.00 C ATOM 766 CD GLN A 50 -2.913 -13.620 -2.818 1.00 0.00 C ATOM 767 OE1 GLN A 50 -4.078 -13.941 -3.058 1.00 0.00 O ATOM 768 NE2 GLN A 50 -1.880 -14.396 -3.124 1.00 0.00 N ATOM 0 H GLN A 50 -3.790 -9.385 -1.563 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.338 -11.827 -2.190 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.019 -11.372 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.843 -12.898 -0.520 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.629 -11.501 -2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.571 -12.330 -1.764 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.931 -14.091 -2.907 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.035 -15.297 -3.576 1.00 0.00 H new ATOM 777 N CYS A 51 -5.224 -10.213 0.703 1.00 0.00 N ATOM 778 CA CYS A 51 -5.997 -9.903 1.900 1.00 0.00 C ATOM 779 C CYS A 51 -6.653 -8.530 1.782 1.00 0.00 C ATOM 780 O CYS A 51 -7.512 -8.171 2.585 1.00 0.00 O ATOM 781 CB CYS A 51 -5.100 -9.947 3.138 1.00 0.00 C ATOM 782 SG CYS A 51 -3.678 -8.810 3.067 1.00 0.00 S ATOM 0 H CYS A 51 -4.292 -9.798 0.684 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.781 -10.654 2.001 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.699 -9.708 4.016 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.732 -10.964 3.271 1.00 0.00 H new ATOM 787 N ASN A 52 -6.242 -7.768 0.773 1.00 0.00 N ATOM 788 CA ASN A 52 -6.789 -6.435 0.549 1.00 0.00 C ATOM 789 C ASN A 52 -6.343 -5.472 1.647 1.00 0.00 C ATOM 790 O ASN A 52 -7.167 -4.827 2.292 1.00 0.00 O ATOM 791 CB ASN A 52 -8.317 -6.491 0.496 1.00 0.00 C ATOM 792 CG ASN A 52 -8.828 -7.783 -0.112 1.00 0.00 C ATOM 793 OD1 ASN A 52 -9.547 -8.544 0.535 1.00 0.00 O ATOM 794 ND2 ASN A 52 -8.455 -8.037 -1.361 1.00 0.00 N ATOM 0 H ASN A 52 -5.532 -8.051 0.098 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.411 -6.070 -0.406 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.717 -6.384 1.504 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.689 -5.647 -0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.766 -8.892 -1.822 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.858 -7.377 -1.859 1.00 0.00 H new ATOM 801 N ALA A 53 -5.033 -5.383 1.851 1.00 0.00 N ATOM 802 CA ALA A 53 -4.476 -4.498 2.867 1.00 0.00 C ATOM 803 C ALA A 53 -3.762 -3.311 2.230 1.00 0.00 C ATOM 804 O ALA A 53 -2.663 -3.451 1.692 1.00 0.00 O ATOM 805 CB ALA A 53 -3.525 -5.267 3.772 1.00 0.00 C ATOM 0 H ALA A 53 -4.337 -5.913 1.326 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.299 -4.112 3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.116 -4.594 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.065 -6.077 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.712 -5.682 3.177 1.00 0.00 H new ATOM 811 N ALA A 54 -4.393 -2.144 2.294 1.00 0.00 N ATOM 812 CA ALA A 54 -3.816 -0.932 1.724 1.00 0.00 C ATOM 813 C ALA A 54 -2.925 -0.220 2.736 1.00 0.00 C ATOM 814 O ALA A 54 -3.366 0.120 3.834 1.00 0.00 O ATOM 815 CB ALA A 54 -4.917 0.000 1.240 1.00 0.00 C ATOM 0 H ALA A 54 -5.303 -2.011 2.734 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.198 -1.219 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.472 0.900 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.511 -0.504 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.558 0.272 2.078 1.00 0.00 H new ATOM 821 N ILE A 55 -1.670 0.001 2.359 1.00 0.00 N ATOM 822 CA ILE A 55 -0.718 0.674 3.234 1.00 0.00 C ATOM 823 C ILE A 55 0.175 1.628 2.447 1.00 0.00 C ATOM 824 O ILE A 55 0.105 1.689 1.218 1.00 0.00 O ATOM 825 CB ILE A 55 0.169 -0.339 3.984 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.161 -0.993 3.021 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.692 -1.393 4.664 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.289 -1.721 3.719 1.00 0.00 C ATOM 0 H ILE A 55 -1.289 -0.276 1.454 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.302 1.242 3.958 1.00 0.00 H new ATOM 0 HB ILE A 55 0.734 0.192 4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.626 -1.696 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.582 -0.227 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.052 -2.102 5.190 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.362 -0.911 5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.280 -1.922 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.954 -2.160 2.975 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.849 -1.018 4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.878 -2.510 4.349 1.00 0.00 H new ATOM 840 N HIS A 56 1.014 2.370 3.162 1.00 0.00 N ATOM 841 CA HIS A 56 1.923 3.319 2.530 1.00 0.00 C ATOM 842 C HIS A 56 3.221 2.634 2.110 1.00 0.00 C ATOM 843 O HIS A 56 3.612 1.618 2.685 1.00 0.00 O ATOM 844 CB HIS A 56 2.228 4.476 3.481 1.00 0.00 C ATOM 845 CG HIS A 56 1.031 5.313 3.809 1.00 0.00 C ATOM 846 ND1 HIS A 56 0.164 5.015 4.840 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.558 6.446 3.239 1.00 0.00 C ATOM 848 CE1 HIS A 56 -0.791 5.927 4.887 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.574 6.808 3.927 1.00 0.00 N ATOM 0 H HIS A 56 1.083 2.333 4.179 1.00 0.00 H new ATOM 0 HA HIS A 56 1.435 3.711 1.637 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.645 4.076 4.405 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.993 5.111 3.034 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.991 6.969 2.399 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.610 5.948 5.591 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.153 7.624 3.729 1.00 0.00 H new ATOM 857 N LYS A 57 3.883 3.196 1.105 1.00 0.00 N ATOM 858 CA LYS A 57 5.136 2.641 0.609 1.00 0.00 C ATOM 859 C LYS A 57 6.154 2.502 1.736 1.00 0.00 C ATOM 860 O LYS A 57 6.997 1.604 1.719 1.00 0.00 O ATOM 861 CB LYS A 57 5.706 3.526 -0.501 1.00 0.00 C ATOM 862 CG LYS A 57 6.631 2.789 -1.454 1.00 0.00 C ATOM 863 CD LYS A 57 7.555 3.746 -2.188 1.00 0.00 C ATOM 864 CE LYS A 57 8.857 3.068 -2.588 1.00 0.00 C ATOM 865 NZ LYS A 57 9.810 2.980 -1.446 1.00 0.00 N ATOM 0 H LYS A 57 3.572 4.036 0.618 1.00 0.00 H new ATOM 0 HA LYS A 57 4.930 1.650 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.882 3.957 -1.069 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.250 4.355 -0.049 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.225 2.064 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 57 6.038 2.228 -2.177 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.054 4.127 -3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.771 4.604 -1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.645 2.066 -2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.319 3.622 -3.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.684 2.512 -1.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.032 3.937 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.379 2.429 -0.676 1.00 0.00 H new ATOM 879 N LYS A 58 6.070 3.396 2.715 1.00 0.00 N ATOM 880 CA LYS A 58 6.982 3.372 3.853 1.00 0.00 C ATOM 881 C LYS A 58 6.455 2.457 4.954 1.00 0.00 C ATOM 882 O LYS A 58 7.230 1.880 5.719 1.00 0.00 O ATOM 883 CB LYS A 58 7.181 4.787 4.404 1.00 0.00 C ATOM 884 CG LYS A 58 5.957 5.341 5.111 1.00 0.00 C ATOM 885 CD LYS A 58 6.218 6.730 5.671 1.00 0.00 C ATOM 886 CE LYS A 58 4.995 7.282 6.386 1.00 0.00 C ATOM 887 NZ LYS A 58 4.962 6.880 7.820 1.00 0.00 N ATOM 0 H LYS A 58 5.380 4.146 2.744 1.00 0.00 H new ATOM 0 HA LYS A 58 7.941 2.984 3.509 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.021 4.783 5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.449 5.453 3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.120 5.380 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.668 4.670 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.059 6.692 6.363 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.502 7.402 4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.992 8.370 6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.092 6.927 5.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.113 7.276 8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.939 5.843 7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.811 7.240 8.301 1.00 0.00 H new ATOM 901 N CYS A 59 5.136 2.326 5.027 1.00 0.00 N ATOM 902 CA CYS A 59 4.504 1.480 6.033 1.00 0.00 C ATOM 903 C CYS A 59 4.808 0.008 5.773 1.00 0.00 C ATOM 904 O CYS A 59 4.679 -0.830 6.666 1.00 0.00 O ATOM 905 CB CYS A 59 2.992 1.707 6.045 1.00 0.00 C ATOM 906 SG CYS A 59 2.462 3.139 7.038 1.00 0.00 S ATOM 0 H CYS A 59 4.482 2.795 4.401 1.00 0.00 H new ATOM 0 HA CYS A 59 4.911 1.750 7.007 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.648 1.842 5.020 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.504 0.811 6.430 1.00 0.00 H new ATOM 911 N ILE A 60 5.212 -0.300 4.545 1.00 0.00 N ATOM 912 CA ILE A 60 5.534 -1.669 4.168 1.00 0.00 C ATOM 913 C ILE A 60 6.670 -2.222 5.022 1.00 0.00 C ATOM 914 O ILE A 60 6.673 -3.399 5.383 1.00 0.00 O ATOM 915 CB ILE A 60 5.930 -1.766 2.683 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.564 -3.142 2.122 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.418 -1.499 2.513 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.670 -3.230 0.617 1.00 0.00 C ATOM 0 H ILE A 60 5.324 0.381 3.794 1.00 0.00 H new ATOM 0 HA ILE A 60 4.635 -2.262 4.335 1.00 0.00 H new ATOM 0 HB ILE A 60 5.378 -1.009 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.217 -3.892 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.545 -3.388 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.682 -1.571 1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.652 -0.499 2.878 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.987 -2.235 3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.396 -4.233 0.291 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.997 -2.504 0.162 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.694 -3.016 0.311 1.00 0.00 H new ATOM 930 N ASP A 61 7.632 -1.365 5.344 1.00 0.00 N ATOM 931 CA ASP A 61 8.772 -1.765 6.160 1.00 0.00 C ATOM 932 C ASP A 61 8.425 -1.711 7.643 1.00 0.00 C ATOM 933 O ASP A 61 9.259 -2.009 8.499 1.00 0.00 O ATOM 934 CB ASP A 61 9.975 -0.866 5.871 1.00 0.00 C ATOM 935 CG ASP A 61 11.261 -1.413 6.457 1.00 0.00 C ATOM 936 OD1 ASP A 61 11.670 -2.522 6.058 1.00 0.00 O ATOM 937 OD2 ASP A 61 11.859 -0.730 7.316 1.00 0.00 O ATOM 0 H ASP A 61 7.645 -0.388 5.052 1.00 0.00 H new ATOM 0 HA ASP A 61 9.027 -2.793 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.090 -0.753 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.788 0.128 6.277 1.00 0.00 H new ATOM 942 N LYS A 62 7.189 -1.327 7.943 1.00 0.00 N ATOM 943 CA LYS A 62 6.730 -1.233 9.324 1.00 0.00 C ATOM 944 C LYS A 62 5.881 -2.445 9.699 1.00 0.00 C ATOM 945 O LYS A 62 5.978 -2.960 10.813 1.00 0.00 O ATOM 946 CB LYS A 62 5.923 0.051 9.528 1.00 0.00 C ATOM 947 CG LYS A 62 6.695 1.315 9.191 1.00 0.00 C ATOM 948 CD LYS A 62 7.544 1.778 10.363 1.00 0.00 C ATOM 949 CE LYS A 62 7.910 3.250 10.238 1.00 0.00 C ATOM 950 NZ LYS A 62 8.090 3.892 11.570 1.00 0.00 N ATOM 0 H LYS A 62 6.486 -1.076 7.248 1.00 0.00 H new ATOM 0 HA LYS A 62 7.606 -1.211 9.972 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.026 0.008 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.594 0.102 10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.334 1.133 8.327 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.998 2.105 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.001 1.615 11.294 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.453 1.179 10.415 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.829 3.348 9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.129 3.773 9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.338 4.894 11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.205 3.821 12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.852 3.410 12.088 1.00 0.00 H new ATOM 964 N ILE A 63 5.053 -2.894 8.763 1.00 0.00 N ATOM 965 CA ILE A 63 4.190 -4.045 8.996 1.00 0.00 C ATOM 966 C ILE A 63 4.864 -5.060 9.912 1.00 0.00 C ATOM 967 O ILE A 63 6.042 -5.375 9.746 1.00 0.00 O ATOM 968 CB ILE A 63 3.808 -4.738 7.674 1.00 0.00 C ATOM 969 CG1 ILE A 63 3.002 -3.786 6.788 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.018 -6.008 7.951 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.580 -4.398 5.470 1.00 0.00 C ATOM 0 H ILE A 63 4.961 -2.478 7.836 1.00 0.00 H new ATOM 0 HA ILE A 63 3.286 -3.670 9.476 1.00 0.00 H new ATOM 0 HB ILE A 63 4.722 -5.009 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.113 -3.463 7.330 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.597 -2.894 6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.755 -6.486 7.007 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.624 -6.690 8.547 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.108 -5.759 8.497 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.013 -3.667 4.894 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.465 -4.696 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.958 -5.273 5.658 1.00 0.00 H new ATOM 983 N ILE A 64 4.107 -5.570 10.878 1.00 0.00 N ATOM 984 CA ILE A 64 4.630 -6.552 11.819 1.00 0.00 C ATOM 985 C ILE A 64 3.746 -7.793 11.868 1.00 0.00 C ATOM 986 O ILE A 64 2.814 -7.875 12.666 1.00 0.00 O ATOM 987 CB ILE A 64 4.749 -5.965 13.238 1.00 0.00 C ATOM 988 CG1 ILE A 64 5.603 -4.696 13.219 1.00 0.00 C ATOM 989 CG2 ILE A 64 5.340 -6.994 14.190 1.00 0.00 C ATOM 990 CD1 ILE A 64 7.010 -4.923 12.714 1.00 0.00 C ATOM 0 H ILE A 64 3.130 -5.319 11.029 1.00 0.00 H new ATOM 0 HA ILE A 64 5.623 -6.830 11.465 1.00 0.00 H new ATOM 0 HB ILE A 64 3.752 -5.704 13.591 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.116 -3.949 12.591 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.649 -4.284 14.227 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.418 -6.564 15.188 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.695 -7.872 14.222 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.331 -7.284 13.842 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.558 -3.981 12.728 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.515 -5.646 13.355 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.973 -5.306 11.694 1.00 0.00 H new ATOM 1002 N GLY A 65 4.047 -8.761 11.006 1.00 0.00 N ATOM 1003 CA GLY A 65 3.271 -9.987 10.967 1.00 0.00 C ATOM 1004 C GLY A 65 3.386 -10.704 9.638 1.00 0.00 C ATOM 1005 O GLY A 65 4.422 -10.638 8.976 1.00 0.00 O ATOM 0 H GLY A 65 4.814 -8.718 10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.606 -10.651 11.764 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.224 -9.757 11.163 1.00 0.00 H new ATOM 1009 N ARG A 66 2.319 -11.394 9.244 1.00 0.00 N ATOM 1010 CA ARG A 66 2.307 -12.129 7.986 1.00 0.00 C ATOM 1011 C ARG A 66 0.970 -11.955 7.269 1.00 0.00 C ATOM 1012 O ARG A 66 0.041 -11.346 7.802 1.00 0.00 O ATOM 1013 CB ARG A 66 2.575 -13.614 8.235 1.00 0.00 C ATOM 1014 CG ARG A 66 3.983 -13.903 8.729 1.00 0.00 C ATOM 1015 CD ARG A 66 4.255 -15.398 8.794 1.00 0.00 C ATOM 1016 NE ARG A 66 5.450 -15.703 9.575 1.00 0.00 N ATOM 1017 CZ ARG A 66 5.815 -16.937 9.908 1.00 0.00 C ATOM 1018 NH1 ARG A 66 5.080 -17.974 9.531 1.00 0.00 N ATOM 1019 NH2 ARG A 66 6.916 -17.134 10.621 1.00 0.00 N ATOM 0 H ARG A 66 1.453 -11.459 9.779 1.00 0.00 H new ATOM 0 HA ARG A 66 3.096 -11.727 7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.858 -13.986 8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.403 -14.166 7.311 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.707 -13.429 8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.120 -13.464 9.717 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.396 -15.904 9.234 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.373 -15.789 7.784 1.00 0.00 H new ATOM 0 HE ARG A 66 6.037 -14.927 9.882 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.232 -17.826 8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.363 -18.920 9.788 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.483 -16.338 10.914 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.196 -18.081 10.876 1.00 0.00 H new ATOM 1033 N CYS A 67 0.880 -12.495 6.058 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.342 -12.400 5.267 1.00 0.00 C ATOM 1035 C CYS A 67 -1.307 -13.528 5.620 1.00 0.00 C ATOM 1036 O CYS A 67 -0.908 -14.687 5.747 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.012 -12.446 3.774 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.419 -12.043 2.689 1.00 0.00 S ATOM 0 H CYS A 67 1.638 -13.003 5.603 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.822 -11.449 5.498 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.801 -11.749 3.571 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.352 -13.442 3.524 1.00 0.00 H new ATOM 1043 N THR A 68 -2.581 -13.183 5.777 1.00 0.00 N ATOM 1044 CA THR A 68 -3.604 -14.165 6.116 1.00 0.00 C ATOM 1045 C THR A 68 -4.689 -14.219 5.048 1.00 0.00 C ATOM 1046 O THR A 68 -5.874 -14.334 5.358 1.00 0.00 O ATOM 1047 CB THR A 68 -4.254 -13.851 7.477 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.141 -14.910 7.851 1.00 0.00 O ATOM 1049 CG2 THR A 68 -5.018 -12.537 7.422 1.00 0.00 C ATOM 0 H THR A 68 -2.929 -12.230 5.675 1.00 0.00 H new ATOM 0 HA THR A 68 -3.107 -15.133 6.174 1.00 0.00 H new ATOM 0 HB THR A 68 -3.463 -13.761 8.221 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.795 -15.056 7.136 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.468 -12.337 8.394 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.333 -11.729 7.166 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.801 -12.603 6.666 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.277 -14.135 3.787 1.00 0.00 N ATOM 1058 CA GLY A 69 -5.227 -14.177 2.691 1.00 0.00 C ATOM 1059 C GLY A 69 -4.738 -15.021 1.530 1.00 0.00 C ATOM 1060 O GLY A 69 -4.861 -14.628 0.370 1.00 0.00 O ATOM 0 H GLY A 69 -3.302 -14.039 3.505 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.175 -14.576 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.420 -13.162 2.342 1.00 0.00 H new ATOM 1064 N THR A 70 -4.180 -16.187 1.843 1.00 0.00 N ATOM 1065 CA THR A 70 -3.668 -17.089 0.818 1.00 0.00 C ATOM 1066 C THR A 70 -3.596 -18.521 1.333 1.00 0.00 C ATOM 1067 O THR A 70 -3.298 -18.756 2.504 1.00 0.00 O ATOM 1068 CB THR A 70 -2.269 -16.657 0.339 1.00 0.00 C ATOM 1069 OG1 THR A 70 -1.872 -17.446 -0.788 1.00 0.00 O ATOM 1070 CG2 THR A 70 -1.244 -16.805 1.454 1.00 0.00 C ATOM 0 H THR A 70 -4.071 -16.529 2.798 1.00 0.00 H new ATOM 0 HA THR A 70 -4.362 -17.042 -0.021 1.00 0.00 H new ATOM 0 HB THR A 70 -2.317 -15.607 0.049 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.983 -17.164 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.264 -16.494 1.091 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.533 -16.180 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.199 -17.847 1.771 1.00 0.00 H new ATOM 1078 N ALA A 71 -3.870 -19.476 0.451 1.00 0.00 N ATOM 1079 CA ALA A 71 -3.834 -20.887 0.816 1.00 0.00 C ATOM 1080 C ALA A 71 -2.408 -21.427 0.779 1.00 0.00 C ATOM 1081 O ALA A 71 -1.900 -21.793 -0.280 1.00 0.00 O ATOM 1082 CB ALA A 71 -4.730 -21.696 -0.111 1.00 0.00 C ATOM 0 H ALA A 71 -4.120 -19.298 -0.522 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.205 -20.982 1.836 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.693 -22.748 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.755 -21.335 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.384 -21.586 -1.139 1.00 0.00 H new ATOM 1088 N ALA A 72 -1.767 -21.474 1.943 1.00 0.00 N ATOM 1089 CA ALA A 72 -0.400 -21.970 2.043 1.00 0.00 C ATOM 1090 C ALA A 72 -0.221 -22.835 3.286 1.00 0.00 C ATOM 1091 O ALA A 72 -0.622 -22.450 4.384 1.00 0.00 O ATOM 1092 CB ALA A 72 0.583 -20.808 2.059 1.00 0.00 C ATOM 0 H ALA A 72 -2.173 -21.175 2.830 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.198 -22.589 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.600 -21.193 2.134 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.480 -20.232 1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.374 -20.166 2.915 1.00 0.00 H new ATOM 1098 N ASN A 73 0.383 -24.004 3.105 1.00 0.00 N ATOM 1099 CA ASN A 73 0.614 -24.925 4.212 1.00 0.00 C ATOM 1100 C ASN A 73 2.064 -24.857 4.682 1.00 0.00 C ATOM 1101 O ASN A 73 2.927 -25.573 4.172 1.00 0.00 O ATOM 1102 CB ASN A 73 0.268 -26.356 3.794 1.00 0.00 C ATOM 1103 CG ASN A 73 -1.140 -26.472 3.245 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -2.110 -26.540 4.000 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -1.259 -26.497 1.923 1.00 0.00 N ATOM 0 H ASN A 73 0.722 -24.337 2.202 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.032 -24.629 5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.978 -26.693 3.039 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.376 -27.019 4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.182 -26.575 1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.428 -26.438 1.335 1.00 0.00 H new ATOM 1112 N SER A 74 2.325 -23.993 5.658 1.00 0.00 N ATOM 1113 CA SER A 74 3.671 -23.829 6.195 1.00 0.00 C ATOM 1114 C SER A 74 3.745 -24.326 7.635 1.00 0.00 C ATOM 1115 O SER A 74 3.369 -23.615 8.568 1.00 0.00 O ATOM 1116 CB SER A 74 4.095 -22.360 6.126 1.00 0.00 C ATOM 1117 OG SER A 74 5.502 -22.241 6.014 1.00 0.00 O ATOM 0 H SER A 74 1.622 -23.396 6.093 1.00 0.00 H new ATOM 0 HA SER A 74 4.353 -24.425 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.617 -21.880 5.272 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.752 -21.837 7.019 1.00 0.00 H new ATOM 0 HG SER A 74 5.748 -21.293 5.970 1.00 0.00 H new ATOM 1123 N ARG A 75 4.234 -25.549 7.808 1.00 0.00 N ATOM 1124 CA ARG A 75 4.357 -26.142 9.134 1.00 0.00 C ATOM 1125 C ARG A 75 3.158 -25.780 10.005 1.00 0.00 C ATOM 1126 O ARG A 75 3.308 -25.465 11.186 1.00 0.00 O ATOM 1127 CB ARG A 75 5.649 -25.676 9.806 1.00 0.00 C ATOM 1128 CG ARG A 75 6.110 -26.584 10.935 1.00 0.00 C ATOM 1129 CD ARG A 75 7.583 -26.377 11.251 1.00 0.00 C ATOM 1130 NE ARG A 75 7.820 -25.113 11.944 1.00 0.00 N ATOM 1131 CZ ARG A 75 8.120 -23.979 11.321 1.00 0.00 C ATOM 1132 NH1 ARG A 75 8.217 -23.949 9.999 1.00 0.00 N ATOM 1133 NH2 ARG A 75 8.322 -22.869 12.021 1.00 0.00 N ATOM 0 H ARG A 75 4.552 -26.149 7.047 1.00 0.00 H new ATOM 0 HA ARG A 75 4.386 -27.226 9.019 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.437 -25.615 9.056 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.502 -24.669 10.197 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.515 -26.388 11.827 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.939 -27.625 10.659 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.941 -27.201 11.867 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.159 -26.397 10.326 1.00 0.00 H new ATOM 0 HE ARG A 75 7.751 -25.101 12.962 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.061 -24.799 9.457 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.448 -23.076 9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 75 8.247 -22.887 13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 75 8.552 -21.999 11.542 1.00 0.00 H new ATOM 1147 N ASP A 76 1.968 -25.825 9.415 1.00 0.00 N ATOM 1148 CA ASP A 76 0.743 -25.503 10.138 1.00 0.00 C ATOM 1149 C ASP A 76 0.320 -26.661 11.035 1.00 0.00 C ATOM 1150 O ASP A 76 0.019 -27.755 10.556 1.00 0.00 O ATOM 1151 CB ASP A 76 -0.380 -25.166 9.155 1.00 0.00 C ATOM 1152 CG ASP A 76 -0.723 -26.330 8.248 1.00 0.00 C ATOM 1153 OD1 ASP A 76 0.211 -26.952 7.701 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -1.927 -26.619 8.083 1.00 0.00 O ATOM 0 H ASP A 76 1.826 -26.081 8.438 1.00 0.00 H new ATOM 0 HA ASP A 76 0.939 -24.634 10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.269 -24.868 9.711 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.083 -24.311 8.548 1.00 0.00 H new ATOM 1159 N THR A 77 0.300 -26.414 12.342 1.00 0.00 N ATOM 1160 CA THR A 77 -0.084 -27.436 13.307 1.00 0.00 C ATOM 1161 C THR A 77 -1.556 -27.806 13.160 1.00 0.00 C ATOM 1162 O THR A 77 -2.439 -27.043 13.551 1.00 0.00 O ATOM 1163 CB THR A 77 0.175 -26.971 14.752 1.00 0.00 C ATOM 1164 OG1 THR A 77 -0.619 -25.815 15.043 1.00 0.00 O ATOM 1165 CG2 THR A 77 1.647 -26.646 14.960 1.00 0.00 C ATOM 0 H THR A 77 0.545 -25.515 12.756 1.00 0.00 H new ATOM 0 HA THR A 77 0.531 -28.312 13.100 1.00 0.00 H new ATOM 0 HB THR A 77 -0.101 -27.781 15.427 1.00 0.00 H new ATOM 0 HG1 THR A 77 -1.492 -25.899 14.606 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.806 -26.320 15.988 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.247 -27.535 14.765 1.00 0.00 H new ATOM 0 HG23 THR A 77 1.944 -25.850 14.277 1.00 0.00 H new ATOM 1173 N SER A 78 -1.813 -28.981 12.594 1.00 0.00 N ATOM 1174 CA SER A 78 -3.178 -29.451 12.393 1.00 0.00 C ATOM 1175 C SER A 78 -3.311 -30.919 12.783 1.00 0.00 C ATOM 1176 O SER A 78 -2.324 -31.578 13.108 1.00 0.00 O ATOM 1177 CB SER A 78 -3.597 -29.258 10.934 1.00 0.00 C ATOM 1178 OG SER A 78 -3.889 -27.898 10.663 1.00 0.00 O ATOM 0 H SER A 78 -1.093 -29.625 12.266 1.00 0.00 H new ATOM 0 HA SER A 78 -3.836 -28.863 13.033 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.799 -29.600 10.275 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.472 -29.871 10.720 1.00 0.00 H new ATOM 0 HG SER A 78 -4.152 -27.801 9.724 1.00 0.00 H new ATOM 1184 N GLY A 79 -4.539 -31.426 12.747 1.00 0.00 N ATOM 1185 CA GLY A 79 -4.781 -32.814 13.098 1.00 0.00 C ATOM 1186 C GLY A 79 -5.948 -33.410 12.338 1.00 0.00 C ATOM 1187 O GLY A 79 -6.970 -33.781 12.916 1.00 0.00 O ATOM 0 H GLY A 79 -5.372 -30.900 12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -3.883 -33.398 12.896 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -4.974 -32.886 14.168 1.00 0.00 H new ATOM 1191 N PRO A 80 -5.804 -33.508 11.008 1.00 0.00 N ATOM 1192 CA PRO A 80 -6.846 -34.062 10.138 1.00 0.00 C ATOM 1193 C PRO A 80 -7.022 -35.565 10.328 1.00 0.00 C ATOM 1194 O PRO A 80 -6.374 -36.172 11.180 1.00 0.00 O ATOM 1195 CB PRO A 80 -6.331 -33.758 8.728 1.00 0.00 C ATOM 1196 CG PRO A 80 -4.852 -33.657 8.880 1.00 0.00 C ATOM 1197 CD PRO A 80 -4.613 -33.086 10.251 1.00 0.00 C ATOM 0 HA PRO A 80 -7.825 -33.632 10.351 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -6.604 -34.547 8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.754 -32.830 8.343 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.382 -34.635 8.777 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.424 -33.015 8.110 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.696 -33.475 10.694 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.518 -32.000 10.223 1.00 0.00 H new ATOM 1205 N SER A 81 -7.902 -36.159 9.528 1.00 0.00 N ATOM 1206 CA SER A 81 -8.164 -37.592 9.612 1.00 0.00 C ATOM 1207 C SER A 81 -8.364 -38.188 8.222 1.00 0.00 C ATOM 1208 O SER A 81 -8.991 -37.578 7.356 1.00 0.00 O ATOM 1209 CB SER A 81 -9.399 -37.856 10.475 1.00 0.00 C ATOM 1210 OG SER A 81 -9.068 -37.851 11.853 1.00 0.00 O ATOM 0 H SER A 81 -8.445 -35.671 8.815 1.00 0.00 H new ATOM 0 HA SER A 81 -7.299 -38.069 10.073 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.155 -37.096 10.276 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.836 -38.818 10.206 1.00 0.00 H new ATOM 0 HG SER A 81 -8.207 -37.401 11.981 1.00 0.00 H new ATOM 1216 N SER A 82 -7.826 -39.387 8.016 1.00 0.00 N ATOM 1217 CA SER A 82 -7.942 -40.066 6.731 1.00 0.00 C ATOM 1218 C SER A 82 -7.227 -39.280 5.636 1.00 0.00 C ATOM 1219 O SER A 82 -7.736 -39.143 4.524 1.00 0.00 O ATOM 1220 CB SER A 82 -9.414 -40.256 6.361 1.00 0.00 C ATOM 1221 OG SER A 82 -9.559 -41.205 5.318 1.00 0.00 O ATOM 0 H SER A 82 -7.306 -39.907 8.723 1.00 0.00 H new ATOM 0 HA SER A 82 -7.469 -41.044 6.820 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.973 -40.585 7.237 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.840 -39.302 6.051 1.00 0.00 H new ATOM 0 HG SER A 82 -9.027 -40.924 4.544 1.00 0.00 H new ATOM 1227 N GLY A 83 -6.044 -38.767 5.959 1.00 0.00 N ATOM 1228 CA GLY A 83 -5.280 -38.001 4.993 1.00 0.00 C ATOM 1229 C GLY A 83 -4.233 -38.840 4.285 1.00 0.00 C ATOM 1230 O GLY A 83 -3.425 -39.479 4.956 1.00 0.00 O ATOM 0 H GLY A 83 -5.601 -38.868 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.958 -37.573 4.255 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.792 -37.168 5.499 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.708 -9.735 2.382 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.401 4.013 6.550 1.00 0.00 ZN