USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 560 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 86 HIS HE2 : A 86 HIS NE2 : A 256 ZNZN :(H bumps) USER MOD NoAdj-H: A 114 HIS HE2 : A 114 HIS NE2 : A 456 ZNZN :(H bumps) USER MOD Set 1.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 101 LYS NZ :NH3+ 161:sc= 0.365 (180deg=0.226) USER MOD Set 2.1: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.197) USER MOD Set 3.1: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 93 MET CE :methyl -150:sc= -0.424 (180deg=-1.71!) USER MOD Set 4.1: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 70 HIS : no HE2:sc= -0.106 K(o=-0.11,f=-3.7) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -41:sc= 0.934 USER MOD Single : A 60 SER OG : rot 47:sc= 1.15 USER MOD Single : A 61 SER OG : rot 43:sc= 1.15 USER MOD Single : A 64 LYS NZ :NH3+ -119:sc= 0.547 (180deg=-0.0518) USER MOD Single : A 77 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.528) USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= -0.193 (180deg=-0.529) USER MOD Single : A 81 GLN : amide:sc= -4.89! C(o=-4.9!,f=-6.8!) USER MOD Single : A 90 MET CE :methyl -158:sc= -2.29 (180deg=-3.23!) USER MOD Single : A 91 THR OG1 : rot -67:sc= -0.897 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -147:sc= -0.822 (180deg=-2.5!) USER MOD Single : A 122 LYS NZ :NH3+ 154:sc= -0.159 (180deg=-0.674) USER MOD Single : A 124 CYS SG : rot -49:sc= 1.09 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 64:sc= 0.4 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 4.571 5.654 15.455 1.00 0.00 N ATOM 2 CA GLY A 56 3.953 6.926 15.128 1.00 0.00 C ATOM 3 C GLY A 56 2.506 6.999 15.575 1.00 0.00 C ATOM 4 O GLY A 56 2.223 7.260 16.744 1.00 0.00 O ATOM 0 HA2 GLY A 56 4.517 7.732 15.598 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.006 7.086 14.051 1.00 0.00 H new ATOM 8 N SER A 57 1.588 6.768 14.642 1.00 0.00 N ATOM 9 CA SER A 57 0.162 6.814 14.945 1.00 0.00 C ATOM 10 C SER A 57 -0.390 5.411 15.173 1.00 0.00 C ATOM 11 O SER A 57 0.018 4.456 14.512 1.00 0.00 O ATOM 12 CB SER A 57 -0.601 7.496 13.807 1.00 0.00 C ATOM 13 OG SER A 57 -1.980 7.605 14.111 1.00 0.00 O ATOM 0 H SER A 57 1.806 6.547 13.670 1.00 0.00 H new ATOM 0 HA SER A 57 0.028 7.391 15.860 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.185 8.488 13.629 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.472 6.927 12.886 1.00 0.00 H new ATOM 0 HG SER A 57 -2.445 8.046 13.369 1.00 0.00 H new ATOM 19 N SER A 58 -1.322 5.294 16.114 1.00 0.00 N ATOM 20 CA SER A 58 -1.928 4.007 16.434 1.00 0.00 C ATOM 21 C SER A 58 -3.395 3.979 16.015 1.00 0.00 C ATOM 22 O SER A 58 -4.201 3.245 16.585 1.00 0.00 O ATOM 23 CB SER A 58 -1.809 3.721 17.932 1.00 0.00 C ATOM 24 OG SER A 58 -2.307 2.432 18.247 1.00 0.00 O ATOM 0 H SER A 58 -1.674 6.075 16.668 1.00 0.00 H new ATOM 0 HA SER A 58 -1.394 3.234 15.881 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.765 3.796 18.238 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.361 4.475 18.494 1.00 0.00 H new ATOM 0 HG SER A 58 -3.131 2.267 17.743 1.00 0.00 H new ATOM 30 N GLY A 59 -3.734 4.785 15.013 1.00 0.00 N ATOM 31 CA GLY A 59 -5.102 4.838 14.533 1.00 0.00 C ATOM 32 C GLY A 59 -5.185 5.126 13.048 1.00 0.00 C ATOM 33 O GLY A 59 -5.822 6.094 12.631 1.00 0.00 O ATOM 0 H GLY A 59 -3.085 5.402 14.525 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.595 3.889 14.744 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.646 5.608 15.080 1.00 0.00 H new ATOM 37 N SER A 60 -4.539 4.285 12.246 1.00 0.00 N ATOM 38 CA SER A 60 -4.538 4.457 10.798 1.00 0.00 C ATOM 39 C SER A 60 -5.754 3.783 10.170 1.00 0.00 C ATOM 40 O SER A 60 -5.729 2.591 9.865 1.00 0.00 O ATOM 41 CB SER A 60 -3.255 3.883 10.196 1.00 0.00 C ATOM 42 OG SER A 60 -3.177 2.483 10.402 1.00 0.00 O ATOM 0 H SER A 60 -4.010 3.478 12.575 1.00 0.00 H new ATOM 0 HA SER A 60 -4.585 5.525 10.584 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.222 4.099 9.128 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.389 4.369 10.646 1.00 0.00 H new ATOM 0 HG SER A 60 -4.034 2.070 10.168 1.00 0.00 H new ATOM 48 N SER A 61 -6.819 4.556 9.980 1.00 0.00 N ATOM 49 CA SER A 61 -8.047 4.034 9.392 1.00 0.00 C ATOM 50 C SER A 61 -7.951 4.006 7.870 1.00 0.00 C ATOM 51 O SER A 61 -8.132 5.025 7.206 1.00 0.00 O ATOM 52 CB SER A 61 -9.245 4.883 9.823 1.00 0.00 C ATOM 53 OG SER A 61 -9.145 6.201 9.313 1.00 0.00 O ATOM 0 H SER A 61 -6.856 5.546 10.225 1.00 0.00 H new ATOM 0 HA SER A 61 -8.186 3.014 9.749 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.167 4.422 9.470 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.300 4.914 10.911 1.00 0.00 H new ATOM 0 HG SER A 61 -8.845 6.169 8.381 1.00 0.00 H new ATOM 59 N GLY A 62 -7.665 2.828 7.323 1.00 0.00 N ATOM 60 CA GLY A 62 -7.549 2.687 5.883 1.00 0.00 C ATOM 61 C GLY A 62 -8.736 1.967 5.274 1.00 0.00 C ATOM 62 O GLY A 62 -9.576 1.426 5.992 1.00 0.00 O ATOM 0 H GLY A 62 -7.512 1.969 7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.456 3.674 5.431 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.636 2.140 5.647 1.00 0.00 H new ATOM 66 N GLU A 63 -8.806 1.963 3.946 1.00 0.00 N ATOM 67 CA GLU A 63 -9.901 1.307 3.242 1.00 0.00 C ATOM 68 C GLU A 63 -9.764 -0.211 3.317 1.00 0.00 C ATOM 69 O GLU A 63 -8.854 -0.733 3.962 1.00 0.00 O ATOM 70 CB GLU A 63 -9.937 1.755 1.779 1.00 0.00 C ATOM 71 CG GLU A 63 -8.620 1.556 1.049 1.00 0.00 C ATOM 72 CD GLU A 63 -8.361 2.628 0.009 1.00 0.00 C ATOM 73 OE1 GLU A 63 -7.817 3.691 0.376 1.00 0.00 O ATOM 74 OE2 GLU A 63 -8.704 2.406 -1.171 1.00 0.00 O ATOM 0 H GLU A 63 -8.118 2.406 3.337 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.834 1.595 3.726 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.719 1.202 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.210 2.809 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.805 1.553 1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.621 0.579 0.566 1.00 0.00 H new ATOM 81 N LYS A 64 -10.674 -0.915 2.653 1.00 0.00 N ATOM 82 CA LYS A 64 -10.657 -2.373 2.642 1.00 0.00 C ATOM 83 C LYS A 64 -9.449 -2.897 1.872 1.00 0.00 C ATOM 84 O LYS A 64 -9.243 -4.107 1.767 1.00 0.00 O ATOM 85 CB LYS A 64 -11.946 -2.915 2.020 1.00 0.00 C ATOM 86 CG LYS A 64 -13.206 -2.284 2.586 1.00 0.00 C ATOM 87 CD LYS A 64 -14.457 -2.971 2.063 1.00 0.00 C ATOM 88 CE LYS A 64 -14.711 -4.288 2.780 1.00 0.00 C ATOM 89 NZ LYS A 64 -16.122 -4.738 2.630 1.00 0.00 N ATOM 0 H LYS A 64 -11.434 -0.499 2.115 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.586 -2.718 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.918 -2.748 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.989 -3.993 2.174 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.186 -2.342 3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.234 -1.226 2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.316 -2.313 2.193 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.354 -3.152 0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.042 -5.052 2.384 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.476 -4.176 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -16.568 -4.800 3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.643 -4.056 2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.142 -5.673 2.175 1.00 0.00 H new ATOM 103 N THR A 65 -8.651 -1.979 1.335 1.00 0.00 N ATOM 104 CA THR A 65 -7.463 -2.348 0.576 1.00 0.00 C ATOM 105 C THR A 65 -6.830 -3.619 1.129 1.00 0.00 C ATOM 106 O THR A 65 -6.321 -4.450 0.377 1.00 0.00 O ATOM 107 CB THR A 65 -6.416 -1.219 0.587 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.170 -1.702 0.072 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.214 -0.681 1.995 1.00 0.00 C ATOM 0 H THR A 65 -8.807 -0.974 1.412 1.00 0.00 H new ATOM 0 HA THR A 65 -7.786 -2.523 -0.450 1.00 0.00 H new ATOM 0 HB THR A 65 -6.781 -0.409 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.510 -0.978 0.081 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.470 0.115 1.977 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.158 -0.288 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.869 -1.485 2.646 1.00 0.00 H new ATOM 117 N VAL A 66 -6.864 -3.766 2.450 1.00 0.00 N ATOM 118 CA VAL A 66 -6.295 -4.937 3.105 1.00 0.00 C ATOM 119 C VAL A 66 -7.322 -6.058 3.218 1.00 0.00 C ATOM 120 O VAL A 66 -8.497 -5.812 3.494 1.00 0.00 O ATOM 121 CB VAL A 66 -5.769 -4.594 4.511 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.492 -5.863 5.303 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.519 -3.732 4.417 1.00 0.00 C ATOM 0 H VAL A 66 -7.280 -3.087 3.088 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.463 -5.272 2.486 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.536 -4.026 5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.121 -5.600 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.412 -6.439 5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.744 -6.461 4.782 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.161 -3.499 5.420 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.745 -4.272 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.754 -2.806 3.892 1.00 0.00 H new ATOM 133 N VAL A 67 -6.872 -7.290 3.004 1.00 0.00 N ATOM 134 CA VAL A 67 -7.752 -8.450 3.083 1.00 0.00 C ATOM 135 C VAL A 67 -7.925 -8.911 4.526 1.00 0.00 C ATOM 136 O VAL A 67 -6.952 -9.040 5.269 1.00 0.00 O ATOM 137 CB VAL A 67 -7.213 -9.622 2.242 1.00 0.00 C ATOM 138 CG1 VAL A 67 -8.073 -10.861 2.440 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.149 -9.237 0.772 1.00 0.00 C ATOM 0 H VAL A 67 -5.903 -7.511 2.775 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.719 -8.142 2.685 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.202 -9.853 2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.677 -11.679 1.838 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.063 -11.147 3.492 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.096 -10.647 2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.766 -10.077 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.148 -8.978 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.488 -8.379 0.649 1.00 0.00 H new ATOM 149 N CYS A 68 -9.171 -9.159 4.917 1.00 0.00 N ATOM 150 CA CYS A 68 -9.473 -9.606 6.271 1.00 0.00 C ATOM 151 C CYS A 68 -8.617 -10.811 6.649 1.00 0.00 C ATOM 152 O CYS A 68 -8.359 -11.688 5.824 1.00 0.00 O ATOM 153 CB CYS A 68 -10.956 -9.961 6.394 1.00 0.00 C ATOM 154 SG CYS A 68 -11.553 -10.076 8.112 1.00 0.00 S ATOM 0 H CYS A 68 -9.988 -9.058 4.315 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.244 -8.790 6.956 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.543 -9.210 5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.133 -10.913 5.894 1.00 0.00 H new ATOM 159 N LYS A 69 -8.179 -10.849 7.903 1.00 0.00 N ATOM 160 CA LYS A 69 -7.353 -11.946 8.394 1.00 0.00 C ATOM 161 C LYS A 69 -8.220 -13.083 8.927 1.00 0.00 C ATOM 162 O LYS A 69 -7.772 -14.226 9.023 1.00 0.00 O ATOM 163 CB LYS A 69 -6.411 -11.451 9.493 1.00 0.00 C ATOM 164 CG LYS A 69 -7.008 -10.356 10.359 1.00 0.00 C ATOM 165 CD LYS A 69 -6.698 -8.975 9.806 1.00 0.00 C ATOM 166 CE LYS A 69 -7.877 -8.029 9.977 1.00 0.00 C ATOM 167 NZ LYS A 69 -7.849 -7.339 11.296 1.00 0.00 N ATOM 0 H LYS A 69 -8.383 -10.132 8.599 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.761 -12.323 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.132 -12.293 10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.494 -11.080 9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.088 -10.489 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.617 -10.439 11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.825 -8.566 10.314 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.444 -9.054 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.866 -7.287 9.179 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.808 -8.588 9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.669 -6.704 11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.886 -8.046 12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.973 -6.785 11.379 1.00 0.00 H new ATOM 181 N HIS A 70 -9.463 -12.762 9.271 1.00 0.00 N ATOM 182 CA HIS A 70 -10.393 -13.757 9.793 1.00 0.00 C ATOM 183 C HIS A 70 -10.984 -14.594 8.662 1.00 0.00 C ATOM 184 O HIS A 70 -10.862 -15.819 8.655 1.00 0.00 O ATOM 185 CB HIS A 70 -11.514 -13.076 10.578 1.00 0.00 C ATOM 186 CG HIS A 70 -11.023 -12.075 11.578 1.00 0.00 C ATOM 187 ND1 HIS A 70 -10.515 -10.843 11.222 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.965 -12.128 12.929 1.00 0.00 C ATOM 189 CE1 HIS A 70 -10.164 -10.183 12.312 1.00 0.00 C ATOM 190 NE2 HIS A 70 -10.427 -10.941 13.361 1.00 0.00 N ATOM 0 H HIS A 70 -9.850 -11.821 9.198 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.842 -14.418 10.461 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.186 -12.579 9.878 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -12.098 -13.837 11.095 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.424 -10.496 10.267 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.283 -12.951 13.552 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.735 -9.192 12.340 1.00 0.00 H new ATOM 198 N TRP A 71 -11.623 -13.925 7.710 1.00 0.00 N ATOM 199 CA TRP A 71 -12.234 -14.608 6.574 1.00 0.00 C ATOM 200 C TRP A 71 -11.249 -15.575 5.928 1.00 0.00 C ATOM 201 O TRP A 71 -11.628 -16.662 5.488 1.00 0.00 O ATOM 202 CB TRP A 71 -12.720 -13.589 5.542 1.00 0.00 C ATOM 203 CG TRP A 71 -12.817 -14.149 4.155 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.871 -14.833 3.619 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.820 -14.076 3.130 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.590 -15.188 2.322 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.338 -14.735 1.998 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.542 -13.516 3.057 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.621 -14.849 0.810 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.831 -13.630 1.877 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.372 -14.291 0.766 1.00 0.00 C ATOM 0 H TRP A 71 -11.732 -12.911 7.701 1.00 0.00 H new ATOM 0 HA TRP A 71 -13.088 -15.179 6.940 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.698 -13.215 5.844 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -12.040 -12.737 5.535 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.790 -15.061 4.138 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -14.212 -15.705 1.701 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -10.117 -13.003 3.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -12.036 -15.360 -0.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.842 -13.202 1.810 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.792 -14.361 -0.142 1.00 0.00 H new ATOM 222 N LEU A 72 -9.983 -15.176 5.872 1.00 0.00 N ATOM 223 CA LEU A 72 -8.943 -16.009 5.279 1.00 0.00 C ATOM 224 C LEU A 72 -9.054 -17.449 5.768 1.00 0.00 C ATOM 225 O LEU A 72 -9.005 -18.390 4.976 1.00 0.00 O ATOM 226 CB LEU A 72 -7.560 -15.448 5.615 1.00 0.00 C ATOM 227 CG LEU A 72 -7.098 -14.254 4.779 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.928 -13.553 5.451 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.719 -14.701 3.375 1.00 0.00 C ATOM 0 H LEU A 72 -9.652 -14.280 6.230 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.078 -16.002 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.554 -15.155 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.829 -16.248 5.504 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.924 -13.547 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.613 -12.706 4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.233 -13.198 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.098 -14.252 5.558 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.393 -13.838 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.909 -15.428 3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.583 -15.157 2.893 1.00 0.00 H new ATOM 241 N ARG A 73 -9.205 -17.613 7.079 1.00 0.00 N ATOM 242 CA ARG A 73 -9.323 -18.939 7.674 1.00 0.00 C ATOM 243 C ARG A 73 -10.768 -19.230 8.069 1.00 0.00 C ATOM 244 O ARG A 73 -11.038 -20.150 8.840 1.00 0.00 O ATOM 245 CB ARG A 73 -8.415 -19.055 8.899 1.00 0.00 C ATOM 246 CG ARG A 73 -6.980 -19.427 8.561 1.00 0.00 C ATOM 247 CD ARG A 73 -6.845 -20.913 8.269 1.00 0.00 C ATOM 248 NE ARG A 73 -6.838 -21.713 9.491 1.00 0.00 N ATOM 249 CZ ARG A 73 -6.337 -22.941 9.563 1.00 0.00 C ATOM 250 NH1 ARG A 73 -5.804 -23.506 8.489 1.00 0.00 N ATOM 251 NH2 ARG A 73 -6.368 -23.605 10.711 1.00 0.00 N ATOM 0 H ARG A 73 -9.248 -16.845 7.748 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.012 -19.673 6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.419 -18.106 9.435 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.826 -19.804 9.576 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.648 -18.853 7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.328 -19.157 9.391 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.669 -21.233 7.631 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.924 -21.091 7.714 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.240 -21.306 10.336 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.778 -22.998 7.605 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.420 -24.449 8.546 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.777 -23.173 11.539 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.983 -24.548 10.765 1.00 0.00 H new ATOM 265 N GLY A 74 -11.693 -18.439 7.535 1.00 0.00 N ATOM 266 CA GLY A 74 -13.099 -18.627 7.844 1.00 0.00 C ATOM 267 C GLY A 74 -13.421 -18.312 9.291 1.00 0.00 C ATOM 268 O GLY A 74 -14.044 -19.117 9.985 1.00 0.00 O ATOM 0 H GLY A 74 -11.494 -17.671 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.699 -17.990 7.194 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.381 -19.658 7.628 1.00 0.00 H new ATOM 272 N LEU A 75 -12.997 -17.140 9.748 1.00 0.00 N ATOM 273 CA LEU A 75 -13.242 -16.720 11.124 1.00 0.00 C ATOM 274 C LEU A 75 -14.016 -15.407 11.163 1.00 0.00 C ATOM 275 O LEU A 75 -13.953 -14.665 12.144 1.00 0.00 O ATOM 276 CB LEU A 75 -11.919 -16.568 11.876 1.00 0.00 C ATOM 277 CG LEU A 75 -11.224 -17.868 12.282 1.00 0.00 C ATOM 278 CD1 LEU A 75 -10.521 -18.494 11.087 1.00 0.00 C ATOM 279 CD2 LEU A 75 -10.237 -17.615 13.412 1.00 0.00 C ATOM 0 H LEU A 75 -12.481 -16.463 9.186 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.842 -17.489 11.610 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.234 -15.993 11.253 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -12.101 -15.981 12.776 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.981 -18.566 12.638 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.032 -19.418 11.395 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.252 -18.712 10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.775 -17.801 10.700 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.752 -18.551 13.688 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.484 -16.899 13.084 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.767 -17.213 14.275 1.00 0.00 H new ATOM 291 N CYS A 76 -14.748 -15.125 10.090 1.00 0.00 N ATOM 292 CA CYS A 76 -15.537 -13.902 10.001 1.00 0.00 C ATOM 293 C CYS A 76 -16.981 -14.213 9.618 1.00 0.00 C ATOM 294 O CYS A 76 -17.261 -15.225 8.975 1.00 0.00 O ATOM 295 CB CYS A 76 -14.920 -12.947 8.977 1.00 0.00 C ATOM 296 SG CYS A 76 -15.196 -11.184 9.345 1.00 0.00 S ATOM 0 H CYS A 76 -14.811 -15.728 9.269 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.535 -13.425 10.981 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.847 -13.132 8.923 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -15.332 -13.171 7.993 1.00 0.00 H new ATOM 301 N LYS A 77 -17.895 -13.335 10.017 1.00 0.00 N ATOM 302 CA LYS A 77 -19.310 -13.512 9.715 1.00 0.00 C ATOM 303 C LYS A 77 -19.927 -12.211 9.213 1.00 0.00 C ATOM 304 O LYS A 77 -21.130 -11.988 9.352 1.00 0.00 O ATOM 305 CB LYS A 77 -20.060 -13.999 10.957 1.00 0.00 C ATOM 306 CG LYS A 77 -20.020 -15.506 11.141 1.00 0.00 C ATOM 307 CD LYS A 77 -21.066 -16.200 10.284 1.00 0.00 C ATOM 308 CE LYS A 77 -22.368 -16.397 11.044 1.00 0.00 C ATOM 309 NZ LYS A 77 -23.301 -15.252 10.853 1.00 0.00 N ATOM 0 H LYS A 77 -17.680 -12.493 10.551 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.397 -14.261 8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.632 -13.522 11.839 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -21.099 -13.677 10.893 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.029 -15.879 10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -20.187 -15.750 12.190 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.253 -15.610 9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.685 -17.167 9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -22.848 -17.316 10.709 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.154 -16.518 12.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -24.270 -15.551 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -23.022 -14.469 11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -23.264 -14.936 9.863 1.00 0.00 H new ATOM 323 N LYS A 78 -19.096 -11.354 8.629 1.00 0.00 N ATOM 324 CA LYS A 78 -19.559 -10.076 8.103 1.00 0.00 C ATOM 325 C LYS A 78 -19.771 -10.152 6.595 1.00 0.00 C ATOM 326 O LYS A 78 -20.756 -9.635 6.069 1.00 0.00 O ATOM 327 CB LYS A 78 -18.553 -8.971 8.432 1.00 0.00 C ATOM 328 CG LYS A 78 -18.288 -8.813 9.919 1.00 0.00 C ATOM 329 CD LYS A 78 -17.349 -7.650 10.198 1.00 0.00 C ATOM 330 CE LYS A 78 -18.037 -6.312 9.976 1.00 0.00 C ATOM 331 NZ LYS A 78 -17.100 -5.170 10.158 1.00 0.00 N ATOM 0 H LYS A 78 -18.097 -11.522 8.508 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.514 -9.843 8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.612 -9.185 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.922 -8.025 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.231 -8.654 10.443 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.856 -9.733 10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.990 -7.709 11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.475 -7.723 9.550 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -18.456 -6.281 8.970 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -18.870 -6.212 10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -17.423 -4.362 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -17.075 -4.898 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.147 -5.451 9.852 1.00 0.00 H new ATOM 345 N GLY A 79 -18.840 -10.802 5.903 1.00 0.00 N ATOM 346 CA GLY A 79 -18.945 -10.936 4.461 1.00 0.00 C ATOM 347 C GLY A 79 -18.618 -9.646 3.735 1.00 0.00 C ATOM 348 O GLY A 79 -17.471 -9.197 3.740 1.00 0.00 O ATOM 0 H GLY A 79 -18.015 -11.238 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.270 -11.722 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.956 -11.250 4.201 1.00 0.00 H new ATOM 352 N ASP A 80 -19.625 -9.051 3.107 1.00 0.00 N ATOM 353 CA ASP A 80 -19.439 -7.806 2.371 1.00 0.00 C ATOM 354 C ASP A 80 -19.566 -6.602 3.300 1.00 0.00 C ATOM 355 O ASP A 80 -19.395 -5.459 2.876 1.00 0.00 O ATOM 356 CB ASP A 80 -20.460 -7.701 1.237 1.00 0.00 C ATOM 357 CG ASP A 80 -20.083 -6.647 0.214 1.00 0.00 C ATOM 358 OD1 ASP A 80 -20.378 -5.457 0.452 1.00 0.00 O ATOM 359 OD2 ASP A 80 -19.493 -7.012 -0.823 1.00 0.00 O ATOM 0 H ASP A 80 -20.579 -9.411 3.093 1.00 0.00 H new ATOM 0 HA ASP A 80 -18.435 -7.810 1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -20.550 -8.668 0.742 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.439 -7.465 1.654 1.00 0.00 H new ATOM 364 N GLN A 81 -19.867 -6.867 4.567 1.00 0.00 N ATOM 365 CA GLN A 81 -20.019 -5.805 5.554 1.00 0.00 C ATOM 366 C GLN A 81 -18.700 -5.538 6.273 1.00 0.00 C ATOM 367 O GLN A 81 -18.485 -4.454 6.815 1.00 0.00 O ATOM 368 CB GLN A 81 -21.101 -6.175 6.570 1.00 0.00 C ATOM 369 CG GLN A 81 -22.494 -6.267 5.968 1.00 0.00 C ATOM 370 CD GLN A 81 -22.558 -7.216 4.787 1.00 0.00 C ATOM 371 OE1 GLN A 81 -22.457 -6.797 3.633 1.00 0.00 O ATOM 372 NE2 GLN A 81 -22.726 -8.502 5.069 1.00 0.00 N ATOM 0 H GLN A 81 -20.010 -7.808 4.934 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.318 -4.897 5.031 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.847 -7.132 7.026 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.107 -5.433 7.368 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.195 -6.598 6.734 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.814 -5.275 5.650 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -22.805 -8.805 6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -22.776 -9.187 4.315 1.00 0.00 H new ATOM 381 N CYS A 82 -17.820 -6.534 6.274 1.00 0.00 N ATOM 382 CA CYS A 82 -16.523 -6.408 6.926 1.00 0.00 C ATOM 383 C CYS A 82 -15.832 -5.111 6.517 1.00 0.00 C ATOM 384 O CYS A 82 -16.176 -4.507 5.501 1.00 0.00 O ATOM 385 CB CYS A 82 -15.635 -7.604 6.577 1.00 0.00 C ATOM 386 SG CYS A 82 -14.136 -7.742 7.603 1.00 0.00 S ATOM 0 H CYS A 82 -17.982 -7.438 5.830 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.687 -6.388 8.003 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.219 -8.519 6.681 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.340 -7.531 5.530 1.00 0.00 H new ATOM 391 N GLU A 83 -14.855 -4.689 7.314 1.00 0.00 N ATOM 392 CA GLU A 83 -14.116 -3.464 7.035 1.00 0.00 C ATOM 393 C GLU A 83 -12.888 -3.753 6.177 1.00 0.00 C ATOM 394 O GLU A 83 -12.125 -2.847 5.839 1.00 0.00 O ATOM 395 CB GLU A 83 -13.693 -2.788 8.341 1.00 0.00 C ATOM 396 CG GLU A 83 -13.388 -3.767 9.462 1.00 0.00 C ATOM 397 CD GLU A 83 -12.369 -3.226 10.447 1.00 0.00 C ATOM 398 OE1 GLU A 83 -11.638 -2.280 10.084 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.303 -3.749 11.579 1.00 0.00 O ATOM 0 H GLU A 83 -14.557 -5.178 8.158 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.773 -2.791 6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.811 -2.176 8.154 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.486 -2.114 8.665 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.310 -4.005 9.992 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.016 -4.698 9.035 1.00 0.00 H new ATOM 406 N PHE A 84 -12.701 -5.022 5.830 1.00 0.00 N ATOM 407 CA PHE A 84 -11.565 -5.432 5.014 1.00 0.00 C ATOM 408 C PHE A 84 -12.029 -6.214 3.788 1.00 0.00 C ATOM 409 O PHE A 84 -13.187 -6.623 3.701 1.00 0.00 O ATOM 410 CB PHE A 84 -10.598 -6.284 5.839 1.00 0.00 C ATOM 411 CG PHE A 84 -9.997 -5.550 7.004 1.00 0.00 C ATOM 412 CD1 PHE A 84 -10.651 -5.508 8.225 1.00 0.00 C ATOM 413 CD2 PHE A 84 -8.779 -4.901 6.878 1.00 0.00 C ATOM 414 CE1 PHE A 84 -10.101 -4.834 9.299 1.00 0.00 C ATOM 415 CE2 PHE A 84 -8.225 -4.226 7.949 1.00 0.00 C ATOM 416 CZ PHE A 84 -8.887 -4.191 9.160 1.00 0.00 C ATOM 0 H PHE A 84 -13.322 -5.784 6.101 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.050 -4.533 4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.125 -7.164 6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.797 -6.640 5.191 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -11.602 -6.008 8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.257 -4.923 5.933 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.620 -4.810 10.246 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.274 -3.726 7.839 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.456 -3.662 9.997 1.00 0.00 H new ATOM 426 N LEU A 85 -11.118 -6.416 2.843 1.00 0.00 N ATOM 427 CA LEU A 85 -11.432 -7.148 1.621 1.00 0.00 C ATOM 428 C LEU A 85 -11.499 -8.648 1.887 1.00 0.00 C ATOM 429 O LEU A 85 -10.651 -9.205 2.584 1.00 0.00 O ATOM 430 CB LEU A 85 -10.386 -6.855 0.544 1.00 0.00 C ATOM 431 CG LEU A 85 -10.542 -5.530 -0.201 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.199 -5.054 -0.732 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.546 -5.671 -1.336 1.00 0.00 C ATOM 0 H LEU A 85 -10.155 -6.083 2.899 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.409 -6.816 1.269 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.400 -6.873 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.409 -7.664 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.918 -4.784 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.330 -4.109 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.508 -4.912 0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.794 -5.799 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.644 -4.718 -1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.200 -6.431 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.514 -5.965 -0.931 1.00 0.00 H new ATOM 445 N HIS A 86 -12.513 -9.299 1.324 1.00 0.00 N ATOM 446 CA HIS A 86 -12.690 -10.736 1.498 1.00 0.00 C ATOM 447 C HIS A 86 -12.328 -11.487 0.220 1.00 0.00 C ATOM 448 O HIS A 86 -12.819 -12.588 -0.023 1.00 0.00 O ATOM 449 CB HIS A 86 -14.132 -11.050 1.897 1.00 0.00 C ATOM 450 CG HIS A 86 -14.397 -10.889 3.362 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.517 -11.398 3.985 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.678 -10.273 4.330 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.477 -11.101 5.271 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.370 -10.419 5.507 1.00 0.00 N ATOM 0 H HIS A 86 -13.224 -8.854 0.744 1.00 0.00 H new ATOM 0 HA HIS A 86 -12.022 -11.065 2.294 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.805 -10.397 1.341 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.367 -12.073 1.604 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.261 -11.922 3.524 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.735 -9.762 4.200 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.222 -11.370 6.005 1.00 0.00 H new ATOM 462 N GLU A 87 -11.467 -10.882 -0.592 1.00 0.00 N ATOM 463 CA GLU A 87 -11.042 -11.493 -1.846 1.00 0.00 C ATOM 464 C GLU A 87 -9.521 -11.477 -1.971 1.00 0.00 C ATOM 465 O GLU A 87 -8.896 -10.416 -1.939 1.00 0.00 O ATOM 466 CB GLU A 87 -11.670 -10.762 -3.034 1.00 0.00 C ATOM 467 CG GLU A 87 -11.028 -9.417 -3.330 1.00 0.00 C ATOM 468 CD GLU A 87 -9.951 -9.507 -4.393 1.00 0.00 C ATOM 469 OE1 GLU A 87 -9.326 -10.581 -4.516 1.00 0.00 O ATOM 470 OE2 GLU A 87 -9.731 -8.502 -5.102 1.00 0.00 O ATOM 0 H GLU A 87 -11.050 -9.970 -0.404 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.379 -12.530 -1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -11.595 -11.394 -3.919 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.732 -10.613 -2.838 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.796 -8.715 -3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.596 -9.015 -2.413 1.00 0.00 H new ATOM 477 N TYR A 88 -8.932 -12.659 -2.113 1.00 0.00 N ATOM 478 CA TYR A 88 -7.485 -12.782 -2.240 1.00 0.00 C ATOM 479 C TYR A 88 -6.983 -12.052 -3.483 1.00 0.00 C ATOM 480 O TYR A 88 -7.138 -12.534 -4.605 1.00 0.00 O ATOM 481 CB TYR A 88 -7.081 -14.255 -2.303 1.00 0.00 C ATOM 482 CG TYR A 88 -5.761 -14.550 -1.627 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.564 -14.462 -2.328 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.710 -14.918 -0.289 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.356 -14.731 -1.716 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.506 -15.188 0.333 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.332 -15.093 -0.385 1.00 0.00 C ATOM 488 OH TYR A 88 -2.130 -15.363 0.230 1.00 0.00 O ATOM 0 H TYR A 88 -9.435 -13.546 -2.143 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.029 -12.324 -1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.861 -14.857 -1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.022 -14.563 -3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.579 -14.178 -3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.628 -14.995 0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.435 -14.658 -2.276 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.484 -15.472 1.375 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.288 -15.602 1.167 1.00 0.00 H new ATOM 498 N ASP A 89 -6.381 -10.886 -3.273 1.00 0.00 N ATOM 499 CA ASP A 89 -5.854 -10.089 -4.374 1.00 0.00 C ATOM 500 C ASP A 89 -4.385 -9.747 -4.144 1.00 0.00 C ATOM 501 O ASP A 89 -4.057 -8.917 -3.297 1.00 0.00 O ATOM 502 CB ASP A 89 -6.669 -8.805 -4.539 1.00 0.00 C ATOM 503 CG ASP A 89 -6.709 -8.324 -5.976 1.00 0.00 C ATOM 504 OD1 ASP A 89 -6.754 -9.177 -6.887 1.00 0.00 O ATOM 505 OD2 ASP A 89 -6.695 -7.094 -6.190 1.00 0.00 O ATOM 0 H ASP A 89 -6.246 -10.472 -2.350 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.932 -10.680 -5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.687 -8.977 -4.188 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.242 -8.024 -3.910 1.00 0.00 H new ATOM 510 N MET A 90 -3.507 -10.395 -4.903 1.00 0.00 N ATOM 511 CA MET A 90 -2.073 -10.159 -4.781 1.00 0.00 C ATOM 512 C MET A 90 -1.773 -8.666 -4.683 1.00 0.00 C ATOM 513 O MET A 90 -0.726 -8.264 -4.175 1.00 0.00 O ATOM 514 CB MET A 90 -1.332 -10.763 -5.975 1.00 0.00 C ATOM 515 CG MET A 90 -1.535 -12.262 -6.121 1.00 0.00 C ATOM 516 SD MET A 90 -1.076 -13.173 -4.634 1.00 0.00 S ATOM 517 CE MET A 90 0.501 -12.419 -4.247 1.00 0.00 C ATOM 0 H MET A 90 -3.763 -11.086 -5.608 1.00 0.00 H new ATOM 0 HA MET A 90 -1.728 -10.641 -3.866 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.666 -10.269 -6.887 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.266 -10.557 -5.873 1.00 0.00 H new ATOM 0 HG2 MET A 90 -2.580 -12.462 -6.357 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.944 -12.625 -6.962 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.085 -13.097 -3.625 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.043 -12.216 -5.170 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.336 -11.485 -3.710 1.00 0.00 H new ATOM 527 N THR A 91 -2.700 -7.848 -5.174 1.00 0.00 N ATOM 528 CA THR A 91 -2.534 -6.401 -5.143 1.00 0.00 C ATOM 529 C THR A 91 -3.159 -5.802 -3.888 1.00 0.00 C ATOM 530 O THR A 91 -2.522 -5.029 -3.173 1.00 0.00 O ATOM 531 CB THR A 91 -3.163 -5.737 -6.383 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.587 -5.874 -6.343 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.624 -6.360 -7.662 1.00 0.00 C ATOM 0 H THR A 91 -3.573 -8.164 -5.597 1.00 0.00 H new ATOM 0 HA THR A 91 -1.462 -6.206 -5.140 1.00 0.00 H new ATOM 0 HB THR A 91 -2.900 -4.679 -6.374 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.828 -6.818 -6.445 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.082 -5.875 -8.524 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.543 -6.228 -7.704 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.860 -7.424 -7.676 1.00 0.00 H new ATOM 541 N LYS A 92 -4.410 -6.164 -3.626 1.00 0.00 N ATOM 542 CA LYS A 92 -5.122 -5.665 -2.456 1.00 0.00 C ATOM 543 C LYS A 92 -4.774 -6.483 -1.216 1.00 0.00 C ATOM 544 O LYS A 92 -5.589 -6.624 -0.305 1.00 0.00 O ATOM 545 CB LYS A 92 -6.633 -5.704 -2.697 1.00 0.00 C ATOM 546 CG LYS A 92 -7.045 -5.171 -4.059 1.00 0.00 C ATOM 547 CD LYS A 92 -7.601 -3.760 -3.961 1.00 0.00 C ATOM 548 CE LYS A 92 -6.488 -2.730 -3.836 1.00 0.00 C ATOM 549 NZ LYS A 92 -6.959 -1.482 -3.174 1.00 0.00 N ATOM 0 H LYS A 92 -4.952 -6.802 -4.209 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.813 -4.633 -2.288 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.982 -6.732 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.131 -5.122 -1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.185 -5.178 -4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.796 -5.829 -4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.202 -3.542 -4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.264 -3.688 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.663 -3.155 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.101 -2.492 -4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -6.392 -0.677 -3.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -7.960 -1.321 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.855 -1.575 -2.143 1.00 0.00 H new ATOM 563 N MET A 93 -3.558 -7.019 -1.189 1.00 0.00 N ATOM 564 CA MET A 93 -3.102 -7.821 -0.060 1.00 0.00 C ATOM 565 C MET A 93 -1.870 -7.196 0.588 1.00 0.00 C ATOM 566 O MET A 93 -1.093 -6.489 -0.053 1.00 0.00 O ATOM 567 CB MET A 93 -2.785 -9.247 -0.514 1.00 0.00 C ATOM 568 CG MET A 93 -1.394 -9.402 -1.106 1.00 0.00 C ATOM 569 SD MET A 93 -0.927 -11.127 -1.341 1.00 0.00 S ATOM 570 CE MET A 93 -1.254 -11.792 0.290 1.00 0.00 C ATOM 0 H MET A 93 -2.871 -6.912 -1.936 1.00 0.00 H new ATOM 0 HA MET A 93 -3.903 -7.852 0.678 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.886 -9.921 0.337 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.523 -9.556 -1.255 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.352 -8.884 -2.064 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.669 -8.919 -0.451 1.00 0.00 H new ATOM 0 HE1 MET A 93 -0.573 -12.620 0.489 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.105 -11.012 1.037 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.283 -12.149 0.338 1.00 0.00 H new ATOM 580 N PRO A 94 -1.686 -7.462 1.890 1.00 0.00 N ATOM 581 CA PRO A 94 -0.551 -6.936 2.652 1.00 0.00 C ATOM 582 C PRO A 94 0.772 -7.570 2.235 1.00 0.00 C ATOM 583 O PRO A 94 0.896 -8.793 2.190 1.00 0.00 O ATOM 584 CB PRO A 94 -0.890 -7.309 4.098 1.00 0.00 C ATOM 585 CG PRO A 94 -1.784 -8.495 3.983 1.00 0.00 C ATOM 586 CD PRO A 94 -2.573 -8.298 2.717 1.00 0.00 C ATOM 0 HA PRO A 94 -0.416 -5.866 2.494 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.009 -7.545 4.667 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.387 -6.487 4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.205 -9.418 3.942 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.445 -8.571 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.798 -9.248 2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.526 -7.805 2.910 1.00 0.00 H new ATOM 594 N GLU A 95 1.756 -6.730 1.932 1.00 0.00 N ATOM 595 CA GLU A 95 3.070 -7.210 1.519 1.00 0.00 C ATOM 596 C GLU A 95 3.659 -8.152 2.565 1.00 0.00 C ATOM 597 O GLU A 95 3.141 -8.266 3.676 1.00 0.00 O ATOM 598 CB GLU A 95 4.018 -6.033 1.284 1.00 0.00 C ATOM 599 CG GLU A 95 3.531 -5.061 0.223 1.00 0.00 C ATOM 600 CD GLU A 95 2.702 -3.931 0.802 1.00 0.00 C ATOM 601 OE1 GLU A 95 3.163 -3.293 1.771 1.00 0.00 O ATOM 602 OE2 GLU A 95 1.592 -3.685 0.285 1.00 0.00 O ATOM 0 H GLU A 95 1.669 -5.714 1.965 1.00 0.00 H new ATOM 0 HA GLU A 95 2.950 -7.761 0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.155 -5.495 2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.995 -6.417 0.991 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.389 -4.644 -0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.937 -5.601 -0.514 1.00 0.00 H new ATOM 609 N CYS A 96 4.746 -8.825 2.202 1.00 0.00 N ATOM 610 CA CYS A 96 5.407 -9.757 3.107 1.00 0.00 C ATOM 611 C CYS A 96 5.902 -9.040 4.360 1.00 0.00 C ATOM 612 O CYS A 96 6.814 -8.215 4.296 1.00 0.00 O ATOM 613 CB CYS A 96 6.578 -10.442 2.401 1.00 0.00 C ATOM 614 SG CYS A 96 7.130 -11.983 3.201 1.00 0.00 S ATOM 0 H CYS A 96 5.188 -8.742 1.286 1.00 0.00 H new ATOM 0 HA CYS A 96 4.680 -10.512 3.406 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.290 -10.662 1.373 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.417 -9.748 2.356 1.00 0.00 H new ATOM 619 N TYR A 97 5.296 -9.361 5.497 1.00 0.00 N ATOM 620 CA TYR A 97 5.673 -8.747 6.764 1.00 0.00 C ATOM 621 C TYR A 97 7.180 -8.839 6.987 1.00 0.00 C ATOM 622 O TYR A 97 7.785 -7.955 7.594 1.00 0.00 O ATOM 623 CB TYR A 97 4.933 -9.419 7.922 1.00 0.00 C ATOM 624 CG TYR A 97 5.701 -9.401 9.224 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.258 -8.224 9.708 1.00 0.00 C ATOM 626 CD2 TYR A 97 5.871 -10.561 9.970 1.00 0.00 C ATOM 627 CE1 TYR A 97 6.962 -8.202 10.897 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.571 -10.548 11.160 1.00 0.00 C ATOM 629 CZ TYR A 97 7.115 -9.367 11.620 1.00 0.00 C ATOM 630 OH TYR A 97 7.815 -9.351 12.804 1.00 0.00 O ATOM 0 H TYR A 97 4.541 -10.043 5.567 1.00 0.00 H new ATOM 0 HA TYR A 97 5.393 -7.694 6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.975 -8.920 8.068 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.716 -10.453 7.652 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.139 -7.310 9.145 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.448 -11.488 9.613 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.390 -7.278 11.258 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.692 -11.459 11.728 1.00 0.00 H new ATOM 0 HH TYR A 97 7.829 -10.253 13.188 1.00 0.00 H new ATOM 640 N PHE A 98 7.779 -9.917 6.491 1.00 0.00 N ATOM 641 CA PHE A 98 9.215 -10.127 6.636 1.00 0.00 C ATOM 642 C PHE A 98 9.997 -9.186 5.723 1.00 0.00 C ATOM 643 O PHE A 98 10.751 -8.333 6.192 1.00 0.00 O ATOM 644 CB PHE A 98 9.574 -11.580 6.317 1.00 0.00 C ATOM 645 CG PHE A 98 8.943 -12.572 7.252 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.224 -12.541 8.608 1.00 0.00 C ATOM 647 CD2 PHE A 98 8.069 -13.535 6.774 1.00 0.00 C ATOM 648 CE1 PHE A 98 8.645 -13.453 9.471 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.487 -14.449 7.632 1.00 0.00 C ATOM 650 CZ PHE A 98 7.776 -14.408 8.982 1.00 0.00 C ATOM 0 H PHE A 98 7.293 -10.658 5.986 1.00 0.00 H new ATOM 0 HA PHE A 98 9.486 -9.911 7.669 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.265 -11.807 5.297 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.657 -11.695 6.355 1.00 0.00 H new ATOM 0 HD1 PHE A 98 9.903 -11.796 8.996 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.840 -13.572 5.719 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.872 -13.418 10.526 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.807 -15.195 7.247 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.323 -15.122 9.654 1.00 0.00 H new ATOM 660 N TYR A 99 9.812 -9.349 4.418 1.00 0.00 N ATOM 661 CA TYR A 99 10.502 -8.518 3.439 1.00 0.00 C ATOM 662 C TYR A 99 10.088 -7.056 3.577 1.00 0.00 C ATOM 663 O TYR A 99 10.742 -6.160 3.044 1.00 0.00 O ATOM 664 CB TYR A 99 10.206 -9.011 2.021 1.00 0.00 C ATOM 665 CG TYR A 99 11.305 -8.700 1.031 1.00 0.00 C ATOM 666 CD1 TYR A 99 12.383 -9.562 0.865 1.00 0.00 C ATOM 667 CD2 TYR A 99 11.268 -7.544 0.261 1.00 0.00 C ATOM 668 CE1 TYR A 99 13.390 -9.282 -0.038 1.00 0.00 C ATOM 669 CE2 TYR A 99 12.269 -7.257 -0.646 1.00 0.00 C ATOM 670 CZ TYR A 99 13.328 -8.129 -0.792 1.00 0.00 C ATOM 671 OH TYR A 99 14.329 -7.846 -1.693 1.00 0.00 O ATOM 0 H TYR A 99 9.190 -10.049 4.014 1.00 0.00 H new ATOM 0 HA TYR A 99 11.573 -8.593 3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 99 10.045 -10.089 2.046 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.277 -8.558 1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.434 -10.467 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.442 -6.858 0.374 1.00 0.00 H new ATOM 0 HE1 TYR A 99 14.221 -9.962 -0.153 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.223 -6.355 -1.238 1.00 0.00 H new ATOM 0 HH TYR A 99 14.133 -6.998 -2.144 1.00 0.00 H new ATOM 681 N SER A 100 8.995 -6.823 4.298 1.00 0.00 N ATOM 682 CA SER A 100 8.490 -5.471 4.506 1.00 0.00 C ATOM 683 C SER A 100 9.073 -4.862 5.778 1.00 0.00 C ATOM 684 O SER A 100 9.199 -3.643 5.896 1.00 0.00 O ATOM 685 CB SER A 100 6.963 -5.481 4.586 1.00 0.00 C ATOM 686 OG SER A 100 6.465 -4.220 4.999 1.00 0.00 O ATOM 0 H SER A 100 8.443 -7.553 4.748 1.00 0.00 H new ATOM 0 HA SER A 100 8.799 -4.860 3.657 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.547 -5.739 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.638 -6.251 5.286 1.00 0.00 H new ATOM 0 HG SER A 100 5.486 -4.252 5.041 1.00 0.00 H new ATOM 692 N LYS A 101 9.428 -5.721 6.728 1.00 0.00 N ATOM 693 CA LYS A 101 10.000 -5.271 7.991 1.00 0.00 C ATOM 694 C LYS A 101 11.510 -5.482 8.012 1.00 0.00 C ATOM 695 O LYS A 101 12.280 -4.523 8.077 1.00 0.00 O ATOM 696 CB LYS A 101 9.354 -6.017 9.161 1.00 0.00 C ATOM 697 CG LYS A 101 9.321 -5.215 10.451 1.00 0.00 C ATOM 698 CD LYS A 101 10.590 -5.412 11.262 1.00 0.00 C ATOM 699 CE LYS A 101 10.324 -5.277 12.754 1.00 0.00 C ATOM 700 NZ LYS A 101 9.948 -6.580 13.370 1.00 0.00 N ATOM 0 H LYS A 101 9.329 -6.733 6.647 1.00 0.00 H new ATOM 0 HA LYS A 101 9.799 -4.204 8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.335 -6.291 8.888 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.899 -6.945 9.334 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.196 -4.157 10.220 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.458 -5.515 11.045 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.007 -6.397 11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.336 -4.678 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.213 -4.885 13.248 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.525 -4.554 12.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.087 -6.530 14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.949 -6.786 13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.545 -7.335 12.976 1.00 0.00 H new ATOM 714 N PHE A 102 11.928 -6.742 7.954 1.00 0.00 N ATOM 715 CA PHE A 102 13.347 -7.078 7.965 1.00 0.00 C ATOM 716 C PHE A 102 13.959 -6.901 6.578 1.00 0.00 C ATOM 717 O PHE A 102 15.143 -6.595 6.445 1.00 0.00 O ATOM 718 CB PHE A 102 13.547 -8.518 8.443 1.00 0.00 C ATOM 719 CG PHE A 102 12.931 -8.796 9.784 1.00 0.00 C ATOM 720 CD1 PHE A 102 11.588 -9.122 9.889 1.00 0.00 C ATOM 721 CD2 PHE A 102 13.693 -8.732 10.939 1.00 0.00 C ATOM 722 CE1 PHE A 102 11.018 -9.378 11.122 1.00 0.00 C ATOM 723 CE2 PHE A 102 13.128 -8.986 12.174 1.00 0.00 C ATOM 724 CZ PHE A 102 11.789 -9.311 12.266 1.00 0.00 C ATOM 0 H PHE A 102 11.304 -7.547 7.899 1.00 0.00 H new ATOM 0 HA PHE A 102 13.851 -6.400 8.654 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.119 -9.199 7.707 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.615 -8.731 8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 102 10.980 -9.177 8.998 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.741 -8.481 10.873 1.00 0.00 H new ATOM 0 HE1 PHE A 102 9.970 -9.630 11.191 1.00 0.00 H new ATOM 0 HE2 PHE A 102 13.733 -8.930 13.067 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.346 -9.512 13.230 1.00 0.00 H new ATOM 734 N GLY A 103 13.141 -7.096 5.548 1.00 0.00 N ATOM 735 CA GLY A 103 13.619 -6.954 4.185 1.00 0.00 C ATOM 736 C GLY A 103 14.470 -8.128 3.744 1.00 0.00 C ATOM 737 O GLY A 103 15.364 -7.976 2.912 1.00 0.00 O ATOM 0 H GLY A 103 12.157 -7.350 5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.767 -6.854 3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.200 -6.036 4.101 1.00 0.00 H new ATOM 741 N GLU A 104 14.192 -9.302 4.303 1.00 0.00 N ATOM 742 CA GLU A 104 14.941 -10.506 3.963 1.00 0.00 C ATOM 743 C GLU A 104 14.037 -11.735 3.989 1.00 0.00 C ATOM 744 O GLU A 104 13.556 -12.143 5.047 1.00 0.00 O ATOM 745 CB GLU A 104 16.109 -10.697 4.933 1.00 0.00 C ATOM 746 CG GLU A 104 16.919 -9.433 5.168 1.00 0.00 C ATOM 747 CD GLU A 104 17.881 -9.138 4.033 1.00 0.00 C ATOM 748 OE1 GLU A 104 18.356 -10.100 3.393 1.00 0.00 O ATOM 749 OE2 GLU A 104 18.159 -7.946 3.785 1.00 0.00 O ATOM 0 H GLU A 104 13.454 -9.445 4.993 1.00 0.00 H new ATOM 0 HA GLU A 104 15.333 -10.387 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.723 -11.053 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.768 -11.474 4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.241 -8.589 5.293 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.479 -9.532 6.098 1.00 0.00 H new ATOM 756 N CYS A 105 13.810 -12.320 2.818 1.00 0.00 N ATOM 757 CA CYS A 105 12.964 -13.501 2.705 1.00 0.00 C ATOM 758 C CYS A 105 13.559 -14.504 1.720 1.00 0.00 C ATOM 759 O CYS A 105 13.682 -14.221 0.528 1.00 0.00 O ATOM 760 CB CYS A 105 11.556 -13.104 2.257 1.00 0.00 C ATOM 761 SG CYS A 105 10.262 -14.299 2.725 1.00 0.00 S ATOM 0 H CYS A 105 14.201 -11.995 1.934 1.00 0.00 H new ATOM 0 HA CYS A 105 12.907 -13.972 3.686 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.310 -12.132 2.686 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.551 -12.985 1.174 1.00 0.00 H new ATOM 766 N SER A 106 13.925 -15.677 2.227 1.00 0.00 N ATOM 767 CA SER A 106 14.511 -16.720 1.394 1.00 0.00 C ATOM 768 C SER A 106 13.431 -17.656 0.858 1.00 0.00 C ATOM 769 O SER A 106 13.621 -18.870 0.800 1.00 0.00 O ATOM 770 CB SER A 106 15.544 -17.519 2.190 1.00 0.00 C ATOM 771 OG SER A 106 16.561 -16.672 2.698 1.00 0.00 O ATOM 0 H SER A 106 13.826 -15.929 3.211 1.00 0.00 H new ATOM 0 HA SER A 106 15.006 -16.241 0.549 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.052 -18.037 3.013 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.988 -18.284 1.552 1.00 0.00 H new ATOM 0 HG SER A 106 17.208 -17.206 3.205 1.00 0.00 H new ATOM 777 N ASN A 107 12.299 -17.081 0.467 1.00 0.00 N ATOM 778 CA ASN A 107 11.188 -17.863 -0.064 1.00 0.00 C ATOM 779 C ASN A 107 11.095 -17.716 -1.579 1.00 0.00 C ATOM 780 O ASN A 107 10.975 -16.608 -2.101 1.00 0.00 O ATOM 781 CB ASN A 107 9.873 -17.424 0.584 1.00 0.00 C ATOM 782 CG ASN A 107 9.732 -17.929 2.007 1.00 0.00 C ATOM 783 OD1 ASN A 107 10.650 -17.798 2.818 1.00 0.00 O ATOM 784 ND2 ASN A 107 8.580 -18.512 2.317 1.00 0.00 N ATOM 0 H ASN A 107 12.126 -16.077 0.508 1.00 0.00 H new ATOM 0 HA ASN A 107 11.369 -18.912 0.171 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.815 -16.336 0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 107 9.037 -17.790 -0.013 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.428 -18.873 3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.847 -18.599 1.613 1.00 0.00 H new ATOM 791 N LYS A 108 11.151 -18.843 -2.282 1.00 0.00 N ATOM 792 CA LYS A 108 11.071 -18.842 -3.737 1.00 0.00 C ATOM 793 C LYS A 108 9.623 -18.732 -4.203 1.00 0.00 C ATOM 794 O LYS A 108 9.324 -18.031 -5.169 1.00 0.00 O ATOM 795 CB LYS A 108 11.704 -20.115 -4.304 1.00 0.00 C ATOM 796 CG LYS A 108 11.062 -21.393 -3.794 1.00 0.00 C ATOM 797 CD LYS A 108 12.052 -22.545 -3.773 1.00 0.00 C ATOM 798 CE LYS A 108 12.049 -23.308 -5.089 1.00 0.00 C ATOM 799 NZ LYS A 108 13.021 -24.435 -5.079 1.00 0.00 N ATOM 0 H LYS A 108 11.252 -19.769 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 108 11.620 -17.975 -4.105 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.634 -20.092 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.765 -20.126 -4.053 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.672 -21.229 -2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.214 -21.653 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.053 -22.162 -3.576 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.804 -23.224 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.048 -23.694 -5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.292 -22.627 -5.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 12.988 -24.930 -5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.980 -24.065 -4.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.775 -25.099 -4.317 1.00 0.00 H new ATOM 813 N GLU A 109 8.728 -19.428 -3.509 1.00 0.00 N ATOM 814 CA GLU A 109 7.311 -19.407 -3.852 1.00 0.00 C ATOM 815 C GLU A 109 6.501 -18.688 -2.777 1.00 0.00 C ATOM 816 O GLU A 109 5.456 -19.173 -2.342 1.00 0.00 O ATOM 817 CB GLU A 109 6.786 -20.832 -4.034 1.00 0.00 C ATOM 818 CG GLU A 109 7.335 -21.531 -5.266 1.00 0.00 C ATOM 819 CD GLU A 109 6.388 -22.581 -5.812 1.00 0.00 C ATOM 820 OE1 GLU A 109 6.303 -23.674 -5.213 1.00 0.00 O ATOM 821 OE2 GLU A 109 5.731 -22.310 -6.839 1.00 0.00 O ATOM 0 H GLU A 109 8.959 -20.013 -2.706 1.00 0.00 H new ATOM 0 HA GLU A 109 7.199 -18.864 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 109 7.039 -21.419 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 109 5.698 -20.804 -4.097 1.00 0.00 H new ATOM 0 HG2 GLU A 109 7.535 -20.790 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 109 8.288 -22.000 -5.019 1.00 0.00 H new ATOM 828 N CYS A 110 6.992 -17.529 -2.351 1.00 0.00 N ATOM 829 CA CYS A 110 6.317 -16.742 -1.326 1.00 0.00 C ATOM 830 C CYS A 110 5.054 -16.091 -1.883 1.00 0.00 C ATOM 831 O CYS A 110 5.102 -15.268 -2.798 1.00 0.00 O ATOM 832 CB CYS A 110 7.257 -15.668 -0.775 1.00 0.00 C ATOM 833 SG CYS A 110 6.819 -15.080 0.892 1.00 0.00 S ATOM 0 H CYS A 110 7.856 -17.114 -2.700 1.00 0.00 H new ATOM 0 HA CYS A 110 6.032 -17.415 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.272 -16.065 -0.753 1.00 0.00 H new ATOM 0 HB3 CYS A 110 7.261 -14.819 -1.459 1.00 0.00 H new ATOM 838 N PRO A 111 3.897 -16.468 -1.320 1.00 0.00 N ATOM 839 CA PRO A 111 2.599 -15.932 -1.744 1.00 0.00 C ATOM 840 C PRO A 111 2.423 -14.467 -1.360 1.00 0.00 C ATOM 841 O PRO A 111 1.365 -13.879 -1.586 1.00 0.00 O ATOM 842 CB PRO A 111 1.592 -16.807 -0.993 1.00 0.00 C ATOM 843 CG PRO A 111 2.332 -17.293 0.205 1.00 0.00 C ATOM 844 CD PRO A 111 3.765 -17.444 -0.226 1.00 0.00 C ATOM 0 HA PRO A 111 2.482 -15.957 -2.827 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.708 -16.237 -0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.251 -17.637 -1.611 1.00 0.00 H new ATOM 0 HG2 PRO A 111 2.245 -16.586 1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.928 -18.243 0.555 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.455 -17.229 0.590 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.978 -18.458 -0.564 1.00 0.00 H new ATOM 852 N PHE A 112 3.466 -13.883 -0.780 1.00 0.00 N ATOM 853 CA PHE A 112 3.426 -12.486 -0.364 1.00 0.00 C ATOM 854 C PHE A 112 4.212 -11.607 -1.333 1.00 0.00 C ATOM 855 O PHE A 112 4.959 -12.106 -2.175 1.00 0.00 O ATOM 856 CB PHE A 112 3.990 -12.336 1.051 1.00 0.00 C ATOM 857 CG PHE A 112 2.981 -12.607 2.130 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.919 -11.741 2.336 1.00 0.00 C ATOM 859 CD2 PHE A 112 3.096 -13.726 2.939 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.989 -11.987 3.329 1.00 0.00 C ATOM 861 CE2 PHE A 112 2.169 -13.977 3.933 1.00 0.00 C ATOM 862 CZ PHE A 112 1.115 -13.106 4.129 1.00 0.00 C ATOM 0 H PHE A 112 4.349 -14.355 -0.587 1.00 0.00 H new ATOM 0 HA PHE A 112 2.385 -12.161 -0.369 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.832 -13.018 1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.378 -11.325 1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.817 -10.864 1.714 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.919 -14.410 2.791 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.165 -11.305 3.479 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.269 -14.854 4.556 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.391 -13.300 4.906 1.00 0.00 H new ATOM 872 N LEU A 113 4.037 -10.296 -1.207 1.00 0.00 N ATOM 873 CA LEU A 113 4.729 -9.346 -2.072 1.00 0.00 C ATOM 874 C LEU A 113 6.129 -9.050 -1.545 1.00 0.00 C ATOM 875 O LEU A 113 6.324 -8.859 -0.344 1.00 0.00 O ATOM 876 CB LEU A 113 3.927 -8.048 -2.180 1.00 0.00 C ATOM 877 CG LEU A 113 2.530 -8.170 -2.789 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.497 -8.437 -1.706 1.00 0.00 C ATOM 879 CD2 LEU A 113 2.176 -6.912 -3.569 1.00 0.00 C ATOM 0 H LEU A 113 3.423 -9.867 -0.515 1.00 0.00 H new ATOM 0 HA LEU A 113 4.821 -9.793 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.830 -7.620 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.501 -7.339 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 113 2.528 -9.013 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.509 -8.521 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.741 -9.367 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.500 -7.615 -0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.178 -7.017 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.196 -6.051 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.900 -6.765 -4.371 1.00 0.00 H new ATOM 891 N HIS A 114 7.101 -9.013 -2.451 1.00 0.00 N ATOM 892 CA HIS A 114 8.484 -8.737 -2.077 1.00 0.00 C ATOM 893 C HIS A 114 8.946 -7.401 -2.653 1.00 0.00 C ATOM 894 O HIS A 114 9.319 -7.315 -3.823 1.00 0.00 O ATOM 895 CB HIS A 114 9.400 -9.860 -2.565 1.00 0.00 C ATOM 896 CG HIS A 114 9.581 -10.961 -1.567 1.00 0.00 C ATOM 897 ND1 HIS A 114 10.270 -12.123 -1.844 1.00 0.00 N ATOM 898 CD2 HIS A 114 9.159 -11.073 -0.285 1.00 0.00 C ATOM 899 CE1 HIS A 114 10.263 -12.902 -0.777 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.595 -12.288 0.183 1.00 0.00 N ATOM 0 H HIS A 114 6.957 -9.170 -3.448 1.00 0.00 H new ATOM 0 HA HIS A 114 8.537 -8.682 -0.990 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.990 -10.278 -3.485 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.375 -9.441 -2.812 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.716 -12.346 -2.734 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.586 -10.342 0.267 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.725 -13.875 -0.702 1.00 0.00 H new ATOM 908 N ILE A 115 8.919 -6.364 -1.823 1.00 0.00 N ATOM 909 CA ILE A 115 9.335 -5.034 -2.250 1.00 0.00 C ATOM 910 C ILE A 115 10.598 -4.592 -1.518 1.00 0.00 C ATOM 911 O ILE A 115 10.728 -4.787 -0.309 1.00 0.00 O ATOM 912 CB ILE A 115 8.226 -3.993 -2.010 1.00 0.00 C ATOM 913 CG1 ILE A 115 6.924 -4.439 -2.679 1.00 0.00 C ATOM 914 CG2 ILE A 115 8.656 -2.630 -2.531 1.00 0.00 C ATOM 915 CD1 ILE A 115 5.756 -3.518 -2.403 1.00 0.00 C ATOM 0 H ILE A 115 8.614 -6.419 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 115 9.539 -5.095 -3.319 1.00 0.00 H new ATOM 0 HB ILE A 115 8.052 -3.911 -0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.081 -4.501 -3.756 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.674 -5.443 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 115 7.861 -1.905 -2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.560 -2.311 -2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.855 -2.696 -3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 115 4.867 -3.896 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.572 -3.475 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 115 5.986 -2.518 -2.772 1.00 0.00 H new ATOM 927 N ASP A 116 11.525 -3.995 -2.259 1.00 0.00 N ATOM 928 CA ASP A 116 12.778 -3.523 -1.680 1.00 0.00 C ATOM 929 C ASP A 116 12.548 -2.276 -0.832 1.00 0.00 C ATOM 930 O ASP A 116 11.755 -1.399 -1.174 1.00 0.00 O ATOM 931 CB ASP A 116 13.793 -3.223 -2.784 1.00 0.00 C ATOM 932 CG ASP A 116 15.223 -3.442 -2.331 1.00 0.00 C ATOM 933 OD1 ASP A 116 15.534 -4.558 -1.865 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.032 -2.497 -2.443 1.00 0.00 O ATOM 0 H ASP A 116 11.433 -3.826 -3.261 1.00 0.00 H new ATOM 0 HA ASP A 116 13.173 -4.310 -1.038 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.587 -3.858 -3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.673 -2.191 -3.113 1.00 0.00 H new ATOM 939 N PRO A 117 13.258 -2.194 0.304 1.00 0.00 N ATOM 940 CA PRO A 117 13.148 -1.059 1.225 1.00 0.00 C ATOM 941 C PRO A 117 13.744 0.219 0.645 1.00 0.00 C ATOM 942 O PRO A 117 13.785 1.253 1.311 1.00 0.00 O ATOM 943 CB PRO A 117 13.949 -1.516 2.447 1.00 0.00 C ATOM 944 CG PRO A 117 14.921 -2.510 1.913 1.00 0.00 C ATOM 945 CD PRO A 117 14.222 -3.202 0.775 1.00 0.00 C ATOM 0 HA PRO A 117 12.109 -0.813 1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 117 14.460 -0.678 2.921 1.00 0.00 H new ATOM 0 HB3 PRO A 117 13.301 -1.962 3.201 1.00 0.00 H new ATOM 0 HG2 PRO A 117 15.832 -2.020 1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.213 -3.224 2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 117 14.921 -3.488 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 117 13.722 -4.113 1.105 1.00 0.00 H new ATOM 953 N GLU A 118 14.204 0.140 -0.600 1.00 0.00 N ATOM 954 CA GLU A 118 14.798 1.292 -1.269 1.00 0.00 C ATOM 955 C GLU A 118 13.781 1.978 -2.176 1.00 0.00 C ATOM 956 O GLU A 118 13.710 3.206 -2.230 1.00 0.00 O ATOM 957 CB GLU A 118 16.018 0.862 -2.086 1.00 0.00 C ATOM 958 CG GLU A 118 17.098 0.187 -1.257 1.00 0.00 C ATOM 959 CD GLU A 118 18.480 0.343 -1.862 1.00 0.00 C ATOM 960 OE1 GLU A 118 18.804 1.459 -2.319 1.00 0.00 O ATOM 961 OE2 GLU A 118 19.237 -0.650 -1.878 1.00 0.00 O ATOM 0 H GLU A 118 14.177 -0.709 -1.165 1.00 0.00 H new ATOM 0 HA GLU A 118 15.114 2.001 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 118 15.696 0.180 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 118 16.443 1.737 -2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 118 17.096 0.608 -0.252 1.00 0.00 H new ATOM 0 HG3 GLU A 118 16.866 -0.873 -1.159 1.00 0.00 H new ATOM 968 N SER A 119 12.995 1.176 -2.888 1.00 0.00 N ATOM 969 CA SER A 119 11.985 1.705 -3.796 1.00 0.00 C ATOM 970 C SER A 119 10.990 2.588 -3.048 1.00 0.00 C ATOM 971 O SER A 119 10.352 3.462 -3.636 1.00 0.00 O ATOM 972 CB SER A 119 11.245 0.561 -4.493 1.00 0.00 C ATOM 973 OG SER A 119 10.408 1.049 -5.527 1.00 0.00 O ATOM 0 H SER A 119 13.039 0.158 -2.853 1.00 0.00 H new ATOM 0 HA SER A 119 12.490 2.312 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 119 11.966 -0.144 -4.907 1.00 0.00 H new ATOM 0 HB3 SER A 119 10.647 0.014 -3.765 1.00 0.00 H new ATOM 0 HG SER A 119 9.948 0.298 -5.957 1.00 0.00 H new ATOM 979 N LYS A 120 10.863 2.353 -1.747 1.00 0.00 N ATOM 980 CA LYS A 120 9.947 3.125 -0.915 1.00 0.00 C ATOM 981 C LYS A 120 10.657 4.324 -0.294 1.00 0.00 C ATOM 982 O LYS A 120 10.559 4.559 0.911 1.00 0.00 O ATOM 983 CB LYS A 120 9.357 2.242 0.186 1.00 0.00 C ATOM 984 CG LYS A 120 8.688 0.982 -0.338 1.00 0.00 C ATOM 985 CD LYS A 120 8.642 -0.106 0.721 1.00 0.00 C ATOM 986 CE LYS A 120 7.454 0.073 1.653 1.00 0.00 C ATOM 987 NZ LYS A 120 7.552 1.332 2.442 1.00 0.00 N ATOM 0 H LYS A 120 11.383 1.633 -1.245 1.00 0.00 H new ATOM 0 HA LYS A 120 9.140 3.491 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.150 1.961 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 120 8.628 2.821 0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 120 7.675 1.216 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 120 9.229 0.618 -1.212 1.00 0.00 H new ATOM 0 HD2 LYS A 120 8.584 -1.082 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 120 9.565 -0.091 1.300 1.00 0.00 H new ATOM 0 HE2 LYS A 120 6.533 0.081 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 120 7.394 -0.777 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 7.123 1.189 3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 8.552 1.594 2.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.049 2.094 1.944 1.00 0.00 H new ATOM 1001 N ILE A 121 11.370 5.079 -1.123 1.00 0.00 N ATOM 1002 CA ILE A 121 12.094 6.254 -0.654 1.00 0.00 C ATOM 1003 C ILE A 121 12.072 7.366 -1.698 1.00 0.00 C ATOM 1004 O ILE A 121 12.228 7.114 -2.893 1.00 0.00 O ATOM 1005 CB ILE A 121 13.556 5.915 -0.312 1.00 0.00 C ATOM 1006 CG1 ILE A 121 13.615 4.934 0.861 1.00 0.00 C ATOM 1007 CG2 ILE A 121 14.332 7.184 0.013 1.00 0.00 C ATOM 1008 CD1 ILE A 121 14.934 4.203 0.972 1.00 0.00 C ATOM 0 H ILE A 121 11.462 4.898 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 121 11.589 6.597 0.249 1.00 0.00 H new ATOM 0 HB ILE A 121 14.016 5.442 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 121 13.431 5.477 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 121 12.812 4.204 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 121 15.364 6.928 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 121 14.314 7.852 -0.848 1.00 0.00 H new ATOM 0 HG23 ILE A 121 13.874 7.682 0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 121 14.904 3.525 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 121 15.111 3.632 0.061 1.00 0.00 H new ATOM 0 HD13 ILE A 121 15.739 4.924 1.110 1.00 0.00 H new ATOM 1020 N LYS A 122 11.879 8.597 -1.239 1.00 0.00 N ATOM 1021 CA LYS A 122 11.839 9.750 -2.131 1.00 0.00 C ATOM 1022 C LYS A 122 13.224 10.372 -2.277 1.00 0.00 C ATOM 1023 O LYS A 122 13.818 10.342 -3.355 1.00 0.00 O ATOM 1024 CB LYS A 122 10.852 10.794 -1.605 1.00 0.00 C ATOM 1025 CG LYS A 122 10.700 12.000 -2.516 1.00 0.00 C ATOM 1026 CD LYS A 122 9.720 11.726 -3.645 1.00 0.00 C ATOM 1027 CE LYS A 122 8.298 12.098 -3.251 1.00 0.00 C ATOM 1028 NZ LYS A 122 8.159 13.557 -2.990 1.00 0.00 N ATOM 0 H LYS A 122 11.748 8.823 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 122 11.508 9.408 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.877 10.325 -1.471 1.00 0.00 H new ATOM 0 HB3 LYS A 122 11.182 11.131 -0.622 1.00 0.00 H new ATOM 0 HG2 LYS A 122 10.357 12.855 -1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 122 11.671 12.267 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 122 10.014 12.292 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 122 9.760 10.671 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.612 11.804 -4.046 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.010 11.541 -2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.175 13.848 -3.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.415 13.759 -2.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.790 14.085 -3.626 1.00 0.00 H new ATOM 1042 N ASP A 123 13.733 10.935 -1.187 1.00 0.00 N ATOM 1043 CA ASP A 123 15.049 11.562 -1.193 1.00 0.00 C ATOM 1044 C ASP A 123 16.136 10.543 -1.521 1.00 0.00 C ATOM 1045 O ASP A 123 16.861 10.087 -0.636 1.00 0.00 O ATOM 1046 CB ASP A 123 15.335 12.212 0.162 1.00 0.00 C ATOM 1047 CG ASP A 123 16.472 13.212 0.096 1.00 0.00 C ATOM 1048 OD1 ASP A 123 17.635 12.779 -0.047 1.00 0.00 O ATOM 1049 OD2 ASP A 123 16.200 14.427 0.187 1.00 0.00 O ATOM 0 H ASP A 123 13.254 10.970 -0.287 1.00 0.00 H new ATOM 0 HA ASP A 123 15.053 12.332 -1.965 1.00 0.00 H new ATOM 0 HB2 ASP A 123 14.435 12.713 0.519 1.00 0.00 H new ATOM 0 HB3 ASP A 123 15.578 11.437 0.889 1.00 0.00 H new ATOM 1054 N CYS A 124 16.241 10.188 -2.797 1.00 0.00 N ATOM 1055 CA CYS A 124 17.237 9.220 -3.242 1.00 0.00 C ATOM 1056 C CYS A 124 17.867 9.656 -4.561 1.00 0.00 C ATOM 1057 O CYS A 124 17.243 10.326 -5.384 1.00 0.00 O ATOM 1058 CB CYS A 124 16.602 7.838 -3.398 1.00 0.00 C ATOM 1059 SG CYS A 124 15.068 7.834 -4.354 1.00 0.00 S ATOM 0 H CYS A 124 15.649 10.556 -3.541 1.00 0.00 H new ATOM 0 HA CYS A 124 18.020 9.168 -2.486 1.00 0.00 H new ATOM 0 HB2 CYS A 124 17.319 7.173 -3.879 1.00 0.00 H new ATOM 0 HB3 CYS A 124 16.402 7.428 -2.408 1.00 0.00 H new ATOM 0 HG CYS A 124 14.272 8.757 -3.901 1.00 0.00 H new ATOM 1065 N PRO A 125 19.134 9.268 -4.769 1.00 0.00 N ATOM 1066 CA PRO A 125 19.876 9.608 -5.986 1.00 0.00 C ATOM 1067 C PRO A 125 19.347 8.872 -7.213 1.00 0.00 C ATOM 1068 O PRO A 125 19.876 9.022 -8.314 1.00 0.00 O ATOM 1069 CB PRO A 125 21.305 9.158 -5.668 1.00 0.00 C ATOM 1070 CG PRO A 125 21.145 8.086 -4.645 1.00 0.00 C ATOM 1071 CD PRO A 125 19.939 8.467 -3.831 1.00 0.00 C ATOM 0 HA PRO A 125 19.792 10.667 -6.231 1.00 0.00 H new ATOM 0 HB2 PRO A 125 21.810 8.783 -6.559 1.00 0.00 H new ATOM 0 HB3 PRO A 125 21.905 9.984 -5.286 1.00 0.00 H new ATOM 0 HG2 PRO A 125 21.006 7.114 -5.117 1.00 0.00 H new ATOM 0 HG3 PRO A 125 22.032 8.011 -4.016 1.00 0.00 H new ATOM 0 HD2 PRO A 125 19.395 7.589 -3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 125 20.216 9.041 -2.947 1.00 0.00 H new ATOM 1079 N TRP A 126 18.300 8.080 -7.015 1.00 0.00 N ATOM 1080 CA TRP A 126 17.699 7.321 -8.106 1.00 0.00 C ATOM 1081 C TRP A 126 16.181 7.466 -8.098 1.00 0.00 C ATOM 1082 O TRP A 126 15.500 6.912 -7.235 1.00 0.00 O ATOM 1083 CB TRP A 126 18.083 5.845 -8.000 1.00 0.00 C ATOM 1084 CG TRP A 126 18.381 5.407 -6.598 1.00 0.00 C ATOM 1085 CD1 TRP A 126 17.475 5.153 -5.609 1.00 0.00 C ATOM 1086 CD2 TRP A 126 19.675 5.174 -6.030 1.00 0.00 C ATOM 1087 NE1 TRP A 126 18.127 4.777 -4.459 1.00 0.00 N ATOM 1088 CE2 TRP A 126 19.477 4.780 -4.692 1.00 0.00 C ATOM 1089 CE3 TRP A 126 20.980 5.257 -6.521 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 20.536 4.473 -3.842 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 22.030 4.952 -5.677 1.00 0.00 C ATOM 1092 CH2 TRP A 126 21.804 4.563 -4.350 1.00 0.00 C ATOM 0 H TRP A 126 17.849 7.946 -6.110 1.00 0.00 H new ATOM 0 HA TRP A 126 18.079 7.721 -9.046 1.00 0.00 H new ATOM 0 HB2 TRP A 126 17.271 5.236 -8.398 1.00 0.00 H new ATOM 0 HB3 TRP A 126 18.957 5.659 -8.624 1.00 0.00 H new ATOM 0 HD1 TRP A 126 16.403 5.235 -5.715 1.00 0.00 H new ATOM 0 HE1 TRP A 126 17.679 4.535 -3.575 1.00 0.00 H new ATOM 0 HE3 TRP A 126 21.165 5.554 -7.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 20.363 4.175 -2.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 23.043 5.014 -6.046 1.00 0.00 H new ATOM 0 HH2 TRP A 126 22.646 4.330 -3.716 1.00 0.00 H new ATOM 1103 N SER A 127 15.657 8.214 -9.063 1.00 0.00 N ATOM 1104 CA SER A 127 14.219 8.434 -9.165 1.00 0.00 C ATOM 1105 C SER A 127 13.468 7.107 -9.209 1.00 0.00 C ATOM 1106 O SER A 127 14.075 6.037 -9.201 1.00 0.00 O ATOM 1107 CB SER A 127 13.894 9.259 -10.412 1.00 0.00 C ATOM 1108 OG SER A 127 14.506 10.535 -10.352 1.00 0.00 O ATOM 0 H SER A 127 16.207 8.678 -9.786 1.00 0.00 H new ATOM 0 HA SER A 127 13.898 8.984 -8.281 1.00 0.00 H new ATOM 0 HB2 SER A 127 14.236 8.730 -11.301 1.00 0.00 H new ATOM 0 HB3 SER A 127 12.814 9.374 -10.505 1.00 0.00 H new ATOM 0 HG SER A 127 14.285 11.042 -11.161 1.00 0.00 H new ATOM 1114 N GLY A 128 12.141 7.185 -9.257 1.00 0.00 N ATOM 1115 CA GLY A 128 11.328 5.984 -9.302 1.00 0.00 C ATOM 1116 C GLY A 128 11.568 5.168 -10.556 1.00 0.00 C ATOM 1117 O GLY A 128 11.960 4.002 -10.498 1.00 0.00 O ATOM 0 H GLY A 128 11.615 8.059 -9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 128 11.543 5.371 -8.427 1.00 0.00 H new ATOM 0 HA3 GLY A 128 10.275 6.260 -9.248 1.00 0.00 H new ATOM 1121 N PRO A 129 11.330 5.785 -11.723 1.00 0.00 N ATOM 1122 CA PRO A 129 11.516 5.126 -13.019 1.00 0.00 C ATOM 1123 C PRO A 129 12.986 4.877 -13.338 1.00 0.00 C ATOM 1124 O PRO A 129 13.363 3.785 -13.761 1.00 0.00 O ATOM 1125 CB PRO A 129 10.914 6.122 -14.013 1.00 0.00 C ATOM 1126 CG PRO A 129 11.024 7.445 -13.337 1.00 0.00 C ATOM 1127 CD PRO A 129 10.863 7.174 -11.867 1.00 0.00 C ATOM 0 HA PRO A 129 11.049 4.141 -13.046 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.456 6.114 -14.959 1.00 0.00 H new ATOM 0 HB3 PRO A 129 9.876 5.878 -14.239 1.00 0.00 H new ATOM 0 HG2 PRO A 129 11.988 7.910 -13.545 1.00 0.00 H new ATOM 0 HG3 PRO A 129 10.255 8.131 -13.694 1.00 0.00 H new ATOM 0 HD2 PRO A 129 11.456 7.862 -11.264 1.00 0.00 H new ATOM 0 HD3 PRO A 129 9.826 7.284 -11.549 1.00 0.00 H new ATOM 1135 N SER A 130 13.812 5.898 -13.132 1.00 0.00 N ATOM 1136 CA SER A 130 15.241 5.791 -13.402 1.00 0.00 C ATOM 1137 C SER A 130 15.977 7.046 -12.940 1.00 0.00 C ATOM 1138 O SER A 130 15.459 8.157 -13.048 1.00 0.00 O ATOM 1139 CB SER A 130 15.485 5.564 -14.895 1.00 0.00 C ATOM 1140 OG SER A 130 16.868 5.607 -15.198 1.00 0.00 O ATOM 0 H SER A 130 13.516 6.808 -12.779 1.00 0.00 H new ATOM 0 HA SER A 130 15.627 4.938 -12.845 1.00 0.00 H new ATOM 0 HB2 SER A 130 15.075 4.599 -15.191 1.00 0.00 H new ATOM 0 HB3 SER A 130 14.959 6.324 -15.472 1.00 0.00 H new ATOM 0 HG SER A 130 16.997 5.457 -16.158 1.00 0.00 H new ATOM 1146 N SER A 131 17.187 6.858 -12.424 1.00 0.00 N ATOM 1147 CA SER A 131 17.993 7.973 -11.941 1.00 0.00 C ATOM 1148 C SER A 131 17.766 9.217 -12.794 1.00 0.00 C ATOM 1149 O SER A 131 17.431 10.283 -12.279 1.00 0.00 O ATOM 1150 CB SER A 131 19.477 7.599 -11.950 1.00 0.00 C ATOM 1151 OG SER A 131 20.251 8.566 -11.264 1.00 0.00 O ATOM 0 H SER A 131 17.631 5.944 -12.330 1.00 0.00 H new ATOM 0 HA SER A 131 17.687 8.194 -10.918 1.00 0.00 H new ATOM 0 HB2 SER A 131 19.612 6.623 -11.484 1.00 0.00 H new ATOM 0 HB3 SER A 131 19.827 7.512 -12.979 1.00 0.00 H new ATOM 0 HG SER A 131 19.995 8.579 -10.318 1.00 0.00 H new ATOM 1157 N GLY A 132 17.950 9.072 -14.103 1.00 0.00 N ATOM 1158 CA GLY A 132 17.761 10.191 -15.007 1.00 0.00 C ATOM 1159 C GLY A 132 16.636 9.955 -15.995 1.00 0.00 C ATOM 1160 O GLY A 132 16.089 10.922 -16.522 1.00 0.00 O ATOM 0 H GLY A 132 18.227 8.199 -14.553 1.00 0.00 H new ATOM 0 HA2 GLY A 132 17.549 11.090 -14.428 1.00 0.00 H new ATOM 0 HA3 GLY A 132 18.687 10.374 -15.552 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -13.896 -10.079 7.765 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 8.276 -13.448 1.749 1.00 0.00 ZN