USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 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 130 SER OG : rot 180:sc= -0.129 USER MOD Set 1.2: A 131 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 120 LYS NZ :NH3+ -161:sc= 0.578 (180deg=0.272) USER MOD Set 3.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 101 LYS NZ :NH3+ 160:sc= 0.893 (180deg=0.661) USER MOD Set 4.1: A 88 TYR OH : rot -68:sc= -1.01 USER MOD Set 4.2: A 93 MET CE :methyl -162:sc= -0.273 (180deg=-0.976) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc=-0.00644 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -2.79! C(o=-2.8!,f=-7.1!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -151:sc= -3.64 (180deg=-3.87!) USER MOD Single : A 81 GLN : amide:sc= -4.27! C(o=-4.3!,f=-5.3!) USER MOD Single : A 90 MET CE :methyl 165:sc= -4.41! (180deg=-4.99!) USER MOD Single : A 91 THR OG1 : rot -73:sc= 0.357 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -52:sc= 0.512 USER MOD Single : A 107 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 108 LYS NZ :NH3+ 162:sc= -0.0224 (180deg=-0.215) USER MOD Single : A 119 SER OG : rot -50:sc= 0.0078 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 CYS SG : rot -4:sc= 0.61 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 3.105 14.604 9.587 1.00 0.00 N ATOM 2 CA GLY A 56 2.278 14.367 10.756 1.00 0.00 C ATOM 3 C GLY A 56 1.334 13.196 10.571 1.00 0.00 C ATOM 4 O GLY A 56 1.709 12.046 10.796 1.00 0.00 O ATOM 0 HA2 GLY A 56 2.918 14.181 11.618 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.700 15.264 10.976 1.00 0.00 H new ATOM 8 N SER A 57 0.104 13.489 10.162 1.00 0.00 N ATOM 9 CA SER A 57 -0.899 12.451 9.952 1.00 0.00 C ATOM 10 C SER A 57 -0.919 12.001 8.494 1.00 0.00 C ATOM 11 O SER A 57 -1.234 12.782 7.596 1.00 0.00 O ATOM 12 CB SER A 57 -2.283 12.961 10.358 1.00 0.00 C ATOM 13 OG SER A 57 -2.328 13.269 11.741 1.00 0.00 O ATOM 0 H SER A 57 -0.222 14.436 9.969 1.00 0.00 H new ATOM 0 HA SER A 57 -0.637 11.596 10.575 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.532 13.849 9.776 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.035 12.207 10.126 1.00 0.00 H new ATOM 0 HG SER A 57 -3.222 13.594 11.975 1.00 0.00 H new ATOM 19 N SER A 58 -0.579 10.737 8.267 1.00 0.00 N ATOM 20 CA SER A 58 -0.553 10.182 6.919 1.00 0.00 C ATOM 21 C SER A 58 -1.887 9.526 6.575 1.00 0.00 C ATOM 22 O SER A 58 -1.949 8.612 5.754 1.00 0.00 O ATOM 23 CB SER A 58 0.579 9.161 6.786 1.00 0.00 C ATOM 24 OG SER A 58 1.831 9.806 6.624 1.00 0.00 O ATOM 0 H SER A 58 -0.317 10.077 9.000 1.00 0.00 H new ATOM 0 HA SER A 58 -0.379 11.000 6.220 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.606 8.525 7.671 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.388 8.511 5.932 1.00 0.00 H new ATOM 0 HG SER A 58 2.538 9.132 6.543 1.00 0.00 H new ATOM 30 N GLY A 59 -2.954 10.002 7.211 1.00 0.00 N ATOM 31 CA GLY A 59 -4.273 9.451 6.960 1.00 0.00 C ATOM 32 C GLY A 59 -4.715 8.488 8.044 1.00 0.00 C ATOM 33 O GLY A 59 -3.902 7.741 8.590 1.00 0.00 O ATOM 0 H GLY A 59 -2.928 10.758 7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.995 10.264 6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.271 8.936 5.999 1.00 0.00 H new ATOM 37 N SER A 60 -6.006 8.505 8.359 1.00 0.00 N ATOM 38 CA SER A 60 -6.553 7.630 9.389 1.00 0.00 C ATOM 39 C SER A 60 -7.493 6.594 8.779 1.00 0.00 C ATOM 40 O SER A 60 -7.365 5.397 9.034 1.00 0.00 O ATOM 41 CB SER A 60 -7.298 8.452 10.443 1.00 0.00 C ATOM 42 OG SER A 60 -8.250 9.311 9.841 1.00 0.00 O ATOM 0 H SER A 60 -6.693 9.115 7.916 1.00 0.00 H new ATOM 0 HA SER A 60 -5.723 7.107 9.865 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.799 7.783 11.143 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.585 9.041 11.020 1.00 0.00 H new ATOM 0 HG SER A 60 -8.713 9.824 10.536 1.00 0.00 H new ATOM 48 N SER A 61 -8.438 7.065 7.971 1.00 0.00 N ATOM 49 CA SER A 61 -9.402 6.181 7.326 1.00 0.00 C ATOM 50 C SER A 61 -8.699 5.001 6.663 1.00 0.00 C ATOM 51 O SER A 61 -7.834 5.181 5.806 1.00 0.00 O ATOM 52 CB SER A 61 -10.219 6.953 6.288 1.00 0.00 C ATOM 53 OG SER A 61 -10.903 8.041 6.884 1.00 0.00 O ATOM 0 H SER A 61 -8.556 8.053 7.748 1.00 0.00 H new ATOM 0 HA SER A 61 -10.074 5.796 8.093 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.560 7.321 5.502 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.937 6.283 5.815 1.00 0.00 H new ATOM 0 HG SER A 61 -11.416 8.519 6.200 1.00 0.00 H new ATOM 59 N GLY A 62 -9.076 3.792 7.066 1.00 0.00 N ATOM 60 CA GLY A 62 -8.473 2.599 6.501 1.00 0.00 C ATOM 61 C GLY A 62 -9.455 1.783 5.684 1.00 0.00 C ATOM 62 O GLY A 62 -10.113 0.886 6.209 1.00 0.00 O ATOM 0 H GLY A 62 -9.789 3.617 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.631 2.885 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.074 1.982 7.306 1.00 0.00 H new ATOM 66 N GLU A 63 -9.555 2.096 4.396 1.00 0.00 N ATOM 67 CA GLU A 63 -10.467 1.386 3.506 1.00 0.00 C ATOM 68 C GLU A 63 -10.227 -0.119 3.571 1.00 0.00 C ATOM 69 O GLU A 63 -9.387 -0.594 4.336 1.00 0.00 O ATOM 70 CB GLU A 63 -10.298 1.880 2.068 1.00 0.00 C ATOM 71 CG GLU A 63 -8.852 1.923 1.604 1.00 0.00 C ATOM 72 CD GLU A 63 -8.602 3.005 0.572 1.00 0.00 C ATOM 73 OE1 GLU A 63 -9.266 2.980 -0.486 1.00 0.00 O ATOM 74 OE2 GLU A 63 -7.744 3.877 0.822 1.00 0.00 O ATOM 0 H GLU A 63 -9.016 2.836 3.946 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.487 1.588 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.865 1.231 1.401 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.728 2.878 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.203 2.090 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.581 0.955 1.183 1.00 0.00 H new ATOM 81 N LYS A 64 -10.972 -0.866 2.762 1.00 0.00 N ATOM 82 CA LYS A 64 -10.842 -2.318 2.725 1.00 0.00 C ATOM 83 C LYS A 64 -9.561 -2.731 2.007 1.00 0.00 C ATOM 84 O LYS A 64 -9.292 -3.920 1.829 1.00 0.00 O ATOM 85 CB LYS A 64 -12.054 -2.941 2.029 1.00 0.00 C ATOM 86 CG LYS A 64 -13.384 -2.391 2.515 1.00 0.00 C ATOM 87 CD LYS A 64 -14.555 -3.108 1.864 1.00 0.00 C ATOM 88 CE LYS A 64 -14.762 -4.492 2.460 1.00 0.00 C ATOM 89 NZ LYS A 64 -15.884 -5.217 1.802 1.00 0.00 N ATOM 0 H LYS A 64 -11.672 -0.489 2.123 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.795 -2.681 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.972 -2.773 0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.037 -4.020 2.185 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.448 -2.496 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.441 -1.325 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.462 -2.516 1.991 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.379 -3.195 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.845 -5.072 2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.964 -4.401 3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.993 -6.156 2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.764 -4.676 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.680 -5.326 0.788 1.00 0.00 H new ATOM 103 N THR A 65 -8.773 -1.743 1.596 1.00 0.00 N ATOM 104 CA THR A 65 -7.521 -2.004 0.897 1.00 0.00 C ATOM 105 C THR A 65 -6.869 -3.288 1.398 1.00 0.00 C ATOM 106 O THR A 65 -6.273 -4.036 0.623 1.00 0.00 O ATOM 107 CB THR A 65 -6.529 -0.838 1.067 1.00 0.00 C ATOM 108 OG1 THR A 65 -5.238 -1.218 0.579 1.00 0.00 O ATOM 109 CG2 THR A 65 -6.423 -0.426 2.528 1.00 0.00 C ATOM 0 H THR A 65 -8.980 -0.754 1.735 1.00 0.00 H new ATOM 0 HA THR A 65 -7.766 -2.112 -0.160 1.00 0.00 H new ATOM 0 HB THR A 65 -6.899 0.011 0.492 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.614 -0.471 0.689 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.717 0.399 2.623 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.402 -0.109 2.889 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.074 -1.272 3.120 1.00 0.00 H new ATOM 117 N VAL A 66 -6.987 -3.538 2.698 1.00 0.00 N ATOM 118 CA VAL A 66 -6.411 -4.733 3.302 1.00 0.00 C ATOM 119 C VAL A 66 -7.403 -5.890 3.285 1.00 0.00 C ATOM 120 O VAL A 66 -8.602 -5.698 3.488 1.00 0.00 O ATOM 121 CB VAL A 66 -5.969 -4.471 4.754 1.00 0.00 C ATOM 122 CG1 VAL A 66 -5.801 -5.783 5.506 1.00 0.00 C ATOM 123 CG2 VAL A 66 -4.681 -3.663 4.781 1.00 0.00 C ATOM 0 H VAL A 66 -7.477 -2.929 3.353 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.537 -4.999 2.707 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.745 -3.891 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.488 -5.578 6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.749 -6.320 5.517 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.045 -6.392 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.383 -3.487 5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.895 -4.215 4.266 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.841 -2.707 4.282 1.00 0.00 H new ATOM 133 N VAL A 67 -6.895 -7.095 3.041 1.00 0.00 N ATOM 134 CA VAL A 67 -7.737 -8.285 2.999 1.00 0.00 C ATOM 135 C VAL A 67 -7.924 -8.875 4.392 1.00 0.00 C ATOM 136 O VAL A 67 -6.953 -9.149 5.098 1.00 0.00 O ATOM 137 CB VAL A 67 -7.140 -9.362 2.074 1.00 0.00 C ATOM 138 CG1 VAL A 67 -7.911 -10.666 2.206 1.00 0.00 C ATOM 139 CG2 VAL A 67 -7.134 -8.880 0.631 1.00 0.00 C ATOM 0 H VAL A 67 -5.905 -7.272 2.870 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.705 -7.974 2.606 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.109 -9.546 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.475 -11.415 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.859 -11.017 3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.953 -10.502 1.931 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.709 -9.653 -0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.155 -8.667 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.534 -7.974 0.553 1.00 0.00 H new ATOM 149 N CYS A 68 -9.180 -9.067 4.783 1.00 0.00 N ATOM 150 CA CYS A 68 -9.496 -9.625 6.092 1.00 0.00 C ATOM 151 C CYS A 68 -8.609 -10.827 6.401 1.00 0.00 C ATOM 152 O CYS A 68 -8.631 -11.830 5.687 1.00 0.00 O ATOM 153 CB CYS A 68 -10.969 -10.036 6.152 1.00 0.00 C ATOM 154 SG CYS A 68 -11.567 -10.418 7.830 1.00 0.00 S ATOM 0 H CYS A 68 -9.995 -8.844 4.212 1.00 0.00 H new ATOM 0 HA CYS A 68 -9.309 -8.856 6.841 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -11.577 -9.233 5.736 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -11.117 -10.910 5.517 1.00 0.00 H new ATOM 159 N LYS A 69 -7.827 -10.719 7.470 1.00 0.00 N ATOM 160 CA LYS A 69 -6.932 -11.797 7.876 1.00 0.00 C ATOM 161 C LYS A 69 -7.722 -12.993 8.396 1.00 0.00 C ATOM 162 O LYS A 69 -7.227 -14.121 8.405 1.00 0.00 O ATOM 163 CB LYS A 69 -5.964 -11.304 8.953 1.00 0.00 C ATOM 164 CG LYS A 69 -6.653 -10.840 10.225 1.00 0.00 C ATOM 165 CD LYS A 69 -5.924 -9.667 10.858 1.00 0.00 C ATOM 166 CE LYS A 69 -4.487 -10.025 11.206 1.00 0.00 C ATOM 167 NZ LYS A 69 -3.872 -9.024 12.119 1.00 0.00 N ATOM 0 H LYS A 69 -7.795 -9.896 8.071 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.363 -12.113 7.002 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.268 -12.106 9.199 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.373 -10.482 8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.680 -10.552 9.999 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.702 -11.665 10.935 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.933 -8.819 10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.450 -9.354 11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.461 -11.009 11.675 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.898 -10.093 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.893 -9.304 12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.873 -8.090 11.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.419 -8.978 13.002 1.00 0.00 H new ATOM 181 N HIS A 70 -8.954 -12.741 8.827 1.00 0.00 N ATOM 182 CA HIS A 70 -9.814 -13.799 9.347 1.00 0.00 C ATOM 183 C HIS A 70 -10.417 -14.617 8.209 1.00 0.00 C ATOM 184 O HIS A 70 -10.113 -15.799 8.053 1.00 0.00 O ATOM 185 CB HIS A 70 -10.927 -13.203 10.209 1.00 0.00 C ATOM 186 CG HIS A 70 -10.428 -12.278 11.276 1.00 0.00 C ATOM 187 ND1 HIS A 70 -9.607 -11.202 11.015 1.00 0.00 N ATOM 188 CD2 HIS A 70 -10.641 -12.271 12.612 1.00 0.00 C ATOM 189 CE1 HIS A 70 -9.334 -10.575 12.145 1.00 0.00 C ATOM 190 NE2 HIS A 70 -9.950 -11.203 13.130 1.00 0.00 N ATOM 0 H HIS A 70 -9.379 -11.814 8.827 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.204 -14.460 9.962 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.622 -12.662 9.567 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.488 -14.013 10.675 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.243 -12.975 13.168 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.712 -9.698 12.246 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -9.918 -10.938 14.115 1.00 0.00 H new ATOM 198 N TRP A 71 -11.274 -13.979 7.419 1.00 0.00 N ATOM 199 CA TRP A 71 -11.921 -14.649 6.296 1.00 0.00 C ATOM 200 C TRP A 71 -10.941 -15.563 5.570 1.00 0.00 C ATOM 201 O TRP A 71 -11.313 -16.638 5.097 1.00 0.00 O ATOM 202 CB TRP A 71 -12.493 -13.617 5.322 1.00 0.00 C ATOM 203 CG TRP A 71 -12.583 -14.118 3.912 1.00 0.00 C ATOM 204 CD1 TRP A 71 -13.619 -14.810 3.353 1.00 0.00 C ATOM 205 CD2 TRP A 71 -11.598 -13.966 2.884 1.00 0.00 C ATOM 206 NE1 TRP A 71 -13.337 -15.098 2.040 1.00 0.00 N ATOM 207 CE2 TRP A 71 -12.104 -14.590 1.727 1.00 0.00 C ATOM 208 CE3 TRP A 71 -10.340 -13.362 2.828 1.00 0.00 C ATOM 209 CZ2 TRP A 71 -11.393 -14.627 0.531 1.00 0.00 C ATOM 210 CZ3 TRP A 71 -9.635 -13.400 1.640 1.00 0.00 C ATOM 211 CH2 TRP A 71 -10.163 -14.028 0.504 1.00 0.00 C ATOM 0 H TRP A 71 -11.537 -13.000 7.535 1.00 0.00 H new ATOM 0 HA TRP A 71 -12.735 -15.259 6.688 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -13.486 -13.321 5.659 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -11.870 -12.723 5.343 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.526 -15.090 3.868 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.947 -15.608 1.401 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.926 -12.874 3.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.798 -15.112 -0.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.660 -12.938 1.586 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -9.588 -14.039 -0.410 1.00 0.00 H new ATOM 222 N LEU A 72 -9.688 -15.131 5.484 1.00 0.00 N ATOM 223 CA LEU A 72 -8.653 -15.912 4.814 1.00 0.00 C ATOM 224 C LEU A 72 -8.750 -17.386 5.197 1.00 0.00 C ATOM 225 O LEU A 72 -8.980 -18.245 4.345 1.00 0.00 O ATOM 226 CB LEU A 72 -7.267 -15.372 5.170 1.00 0.00 C ATOM 227 CG LEU A 72 -6.815 -14.128 4.404 1.00 0.00 C ATOM 228 CD1 LEU A 72 -5.578 -13.523 5.050 1.00 0.00 C ATOM 229 CD2 LEU A 72 -6.544 -14.469 2.946 1.00 0.00 C ATOM 0 H LEU A 72 -9.364 -14.244 5.870 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.805 -15.823 3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.250 -15.144 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.536 -16.163 5.002 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.617 -13.391 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.271 -12.639 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.805 -13.242 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.770 -14.254 5.044 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.223 -13.572 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.760 -15.224 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.454 -14.855 2.487 1.00 0.00 H new ATOM 241 N ARG A 73 -8.576 -17.671 6.483 1.00 0.00 N ATOM 242 CA ARG A 73 -8.645 -19.040 6.978 1.00 0.00 C ATOM 243 C ARG A 73 -10.085 -19.430 7.299 1.00 0.00 C ATOM 244 O ARG A 73 -10.334 -20.452 7.937 1.00 0.00 O ATOM 245 CB ARG A 73 -7.773 -19.198 8.226 1.00 0.00 C ATOM 246 CG ARG A 73 -6.295 -19.373 7.917 1.00 0.00 C ATOM 247 CD ARG A 73 -5.455 -19.353 9.185 1.00 0.00 C ATOM 248 NE ARG A 73 -4.105 -18.852 8.939 1.00 0.00 N ATOM 249 CZ ARG A 73 -3.811 -17.563 8.816 1.00 0.00 C ATOM 250 NH1 ARG A 73 -4.767 -16.649 8.915 1.00 0.00 N ATOM 251 NH2 ARG A 73 -2.559 -17.185 8.594 1.00 0.00 N ATOM 0 H ARG A 73 -8.386 -16.972 7.201 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.273 -19.702 6.196 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.901 -18.322 8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.121 -20.060 8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.141 -20.316 7.392 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.965 -18.578 7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.943 -18.728 9.933 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.398 -20.360 9.598 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.347 -19.529 8.857 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.731 -16.936 9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -4.538 -15.659 8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.821 -17.885 8.518 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.334 -16.195 8.500 1.00 0.00 H new ATOM 265 N GLY A 74 -11.029 -18.609 6.850 1.00 0.00 N ATOM 266 CA GLY A 74 -12.432 -18.885 7.099 1.00 0.00 C ATOM 267 C GLY A 74 -12.808 -18.705 8.556 1.00 0.00 C ATOM 268 O GLY A 74 -13.398 -19.597 9.168 1.00 0.00 O ATOM 0 H GLY A 74 -10.847 -17.758 6.318 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -13.044 -18.224 6.485 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.658 -19.906 6.792 1.00 0.00 H new ATOM 272 N LEU A 75 -12.466 -17.550 9.116 1.00 0.00 N ATOM 273 CA LEU A 75 -12.771 -17.256 10.512 1.00 0.00 C ATOM 274 C LEU A 75 -13.558 -15.955 10.636 1.00 0.00 C ATOM 275 O LEU A 75 -13.414 -15.220 11.613 1.00 0.00 O ATOM 276 CB LEU A 75 -11.480 -17.163 11.327 1.00 0.00 C ATOM 277 CG LEU A 75 -10.780 -18.489 11.628 1.00 0.00 C ATOM 278 CD1 LEU A 75 -10.031 -18.988 10.402 1.00 0.00 C ATOM 279 CD2 LEU A 75 -9.832 -18.336 12.809 1.00 0.00 C ATOM 0 H LEU A 75 -11.977 -16.802 8.625 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.384 -18.068 10.903 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.782 -16.520 10.792 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.706 -16.671 12.273 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.539 -19.227 11.890 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -9.539 -19.932 10.635 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.734 -19.138 9.582 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.282 -18.252 10.108 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.343 -19.289 13.009 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.079 -17.583 12.576 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.395 -18.025 13.689 1.00 0.00 H new ATOM 291 N CYS A 76 -14.392 -15.678 9.639 1.00 0.00 N ATOM 292 CA CYS A 76 -15.204 -14.467 9.636 1.00 0.00 C ATOM 293 C CYS A 76 -16.661 -14.790 9.315 1.00 0.00 C ATOM 294 O CYS A 76 -16.950 -15.704 8.542 1.00 0.00 O ATOM 295 CB CYS A 76 -14.657 -13.463 8.619 1.00 0.00 C ATOM 296 SG CYS A 76 -15.159 -11.740 8.931 1.00 0.00 S ATOM 0 H CYS A 76 -14.523 -16.276 8.823 1.00 0.00 H new ATOM 0 HA CYS A 76 -15.158 -14.027 10.632 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -13.568 -13.519 8.619 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -14.991 -13.753 7.623 1.00 0.00 H new ATOM 301 N LYS A 77 -17.574 -14.033 9.914 1.00 0.00 N ATOM 302 CA LYS A 77 -19.001 -14.236 9.692 1.00 0.00 C ATOM 303 C LYS A 77 -19.680 -12.931 9.289 1.00 0.00 C ATOM 304 O LYS A 77 -20.875 -12.744 9.519 1.00 0.00 O ATOM 305 CB LYS A 77 -19.660 -14.798 10.954 1.00 0.00 C ATOM 306 CG LYS A 77 -21.026 -15.412 10.705 1.00 0.00 C ATOM 307 CD LYS A 77 -20.915 -16.745 9.985 1.00 0.00 C ATOM 308 CE LYS A 77 -22.129 -17.007 9.106 1.00 0.00 C ATOM 309 NZ LYS A 77 -22.127 -18.390 8.555 1.00 0.00 N ATOM 0 H LYS A 77 -17.351 -13.273 10.557 1.00 0.00 H new ATOM 0 HA LYS A 77 -19.118 -14.952 8.879 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -19.006 -15.553 11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -19.759 -13.999 11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -21.541 -15.552 11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -21.631 -14.726 10.112 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -20.013 -16.755 9.373 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.814 -17.547 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -23.038 -16.849 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -22.145 -16.289 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -22.970 -18.529 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.272 -18.534 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -22.138 -19.075 9.337 1.00 0.00 H new ATOM 323 N LYS A 78 -18.911 -12.032 8.685 1.00 0.00 N ATOM 324 CA LYS A 78 -19.438 -10.745 8.246 1.00 0.00 C ATOM 325 C LYS A 78 -19.595 -10.709 6.730 1.00 0.00 C ATOM 326 O LYS A 78 -20.692 -10.495 6.214 1.00 0.00 O ATOM 327 CB LYS A 78 -18.516 -9.611 8.701 1.00 0.00 C ATOM 328 CG LYS A 78 -18.213 -9.633 10.189 1.00 0.00 C ATOM 329 CD LYS A 78 -17.338 -8.460 10.598 1.00 0.00 C ATOM 330 CE LYS A 78 -18.174 -7.254 10.999 1.00 0.00 C ATOM 331 NZ LYS A 78 -19.034 -6.778 9.880 1.00 0.00 N ATOM 0 H LYS A 78 -17.920 -12.171 8.488 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.421 -10.610 8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.579 -9.671 8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -18.976 -8.656 8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -19.146 -9.605 10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -17.714 -10.567 10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -16.699 -8.754 11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -16.680 -8.190 9.772 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -18.800 -7.514 11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.516 -6.447 11.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -19.195 -5.755 9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -18.562 -6.970 8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -19.946 -7.276 9.907 1.00 0.00 H new ATOM 345 N GLY A 79 -18.492 -10.922 6.019 1.00 0.00 N ATOM 346 CA GLY A 79 -18.529 -10.911 4.569 1.00 0.00 C ATOM 347 C GLY A 79 -18.663 -9.512 4.002 1.00 0.00 C ATOM 348 O GLY A 79 -17.721 -8.721 4.055 1.00 0.00 O ATOM 0 H GLY A 79 -17.573 -11.102 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -17.619 -11.371 4.182 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -19.365 -11.520 4.226 1.00 0.00 H new ATOM 352 N ASP A 80 -19.835 -9.205 3.458 1.00 0.00 N ATOM 353 CA ASP A 80 -20.088 -7.891 2.878 1.00 0.00 C ATOM 354 C ASP A 80 -20.165 -6.823 3.965 1.00 0.00 C ATOM 355 O ASP A 80 -20.086 -5.628 3.681 1.00 0.00 O ATOM 356 CB ASP A 80 -21.387 -7.908 2.070 1.00 0.00 C ATOM 357 CG ASP A 80 -22.472 -8.731 2.736 1.00 0.00 C ATOM 358 OD1 ASP A 80 -22.275 -9.953 2.899 1.00 0.00 O ATOM 359 OD2 ASP A 80 -23.519 -8.152 3.096 1.00 0.00 O ATOM 0 H ASP A 80 -20.625 -9.848 3.406 1.00 0.00 H new ATOM 0 HA ASP A 80 -19.259 -7.649 2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.741 -6.886 1.935 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -21.188 -8.310 1.076 1.00 0.00 H new ATOM 364 N GLN A 81 -20.319 -7.263 5.210 1.00 0.00 N ATOM 365 CA GLN A 81 -20.408 -6.344 6.339 1.00 0.00 C ATOM 366 C GLN A 81 -19.026 -6.052 6.913 1.00 0.00 C ATOM 367 O GLN A 81 -18.812 -5.019 7.549 1.00 0.00 O ATOM 368 CB GLN A 81 -21.312 -6.926 7.427 1.00 0.00 C ATOM 369 CG GLN A 81 -22.787 -6.925 7.057 1.00 0.00 C ATOM 370 CD GLN A 81 -23.220 -8.210 6.380 1.00 0.00 C ATOM 371 OE1 GLN A 81 -22.709 -9.288 6.684 1.00 0.00 O ATOM 372 NE2 GLN A 81 -24.168 -8.103 5.457 1.00 0.00 N ATOM 0 H GLN A 81 -20.385 -8.249 5.462 1.00 0.00 H new ATOM 0 HA GLN A 81 -20.838 -5.409 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -21.000 -7.949 7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -21.176 -6.355 8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -23.383 -6.774 7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -22.991 -6.083 6.395 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -24.564 -7.189 5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -24.500 -8.934 4.969 1.00 0.00 H new ATOM 381 N CYS A 82 -18.090 -6.967 6.684 1.00 0.00 N ATOM 382 CA CYS A 82 -16.728 -6.808 7.179 1.00 0.00 C ATOM 383 C CYS A 82 -16.167 -5.441 6.800 1.00 0.00 C ATOM 384 O CYS A 82 -16.727 -4.742 5.955 1.00 0.00 O ATOM 385 CB CYS A 82 -15.828 -7.913 6.620 1.00 0.00 C ATOM 386 SG CYS A 82 -14.252 -8.110 7.512 1.00 0.00 S ATOM 0 H CYS A 82 -18.250 -7.827 6.159 1.00 0.00 H new ATOM 0 HA CYS A 82 -16.752 -6.882 8.266 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -16.370 -8.858 6.649 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -15.616 -7.699 5.572 1.00 0.00 H new ATOM 391 N GLU A 83 -15.059 -5.066 7.431 1.00 0.00 N ATOM 392 CA GLU A 83 -14.424 -3.782 7.160 1.00 0.00 C ATOM 393 C GLU A 83 -13.174 -3.963 6.304 1.00 0.00 C ATOM 394 O GLU A 83 -12.465 -3.000 6.007 1.00 0.00 O ATOM 395 CB GLU A 83 -14.060 -3.081 8.471 1.00 0.00 C ATOM 396 CG GLU A 83 -13.623 -4.035 9.570 1.00 0.00 C ATOM 397 CD GLU A 83 -12.673 -3.388 10.560 1.00 0.00 C ATOM 398 OE1 GLU A 83 -12.014 -2.395 10.187 1.00 0.00 O ATOM 399 OE2 GLU A 83 -12.589 -3.875 11.706 1.00 0.00 O ATOM 0 H GLU A 83 -14.583 -5.633 8.133 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.134 -3.164 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -13.258 -2.367 8.281 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -14.920 -2.509 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.503 -4.399 10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.139 -4.903 9.122 1.00 0.00 H new ATOM 406 N PHE A 84 -12.909 -5.204 5.909 1.00 0.00 N ATOM 407 CA PHE A 84 -11.744 -5.513 5.088 1.00 0.00 C ATOM 408 C PHE A 84 -12.153 -6.263 3.824 1.00 0.00 C ATOM 409 O PHE A 84 -13.281 -6.746 3.712 1.00 0.00 O ATOM 410 CB PHE A 84 -10.738 -6.346 5.886 1.00 0.00 C ATOM 411 CG PHE A 84 -10.141 -5.610 7.051 1.00 0.00 C ATOM 412 CD1 PHE A 84 -8.989 -4.856 6.895 1.00 0.00 C ATOM 413 CD2 PHE A 84 -10.732 -5.672 8.303 1.00 0.00 C ATOM 414 CE1 PHE A 84 -8.437 -4.179 7.966 1.00 0.00 C ATOM 415 CE2 PHE A 84 -10.184 -4.997 9.377 1.00 0.00 C ATOM 416 CZ PHE A 84 -9.036 -4.248 9.208 1.00 0.00 C ATOM 0 H PHE A 84 -13.485 -6.012 6.144 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.276 -4.573 4.796 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.232 -7.247 6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.937 -6.668 5.221 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -8.517 -4.797 5.925 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -11.631 -6.254 8.441 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -7.538 -3.596 7.831 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.653 -5.055 10.348 1.00 0.00 H new ATOM 0 HZ PHE A 84 -8.608 -3.717 10.046 1.00 0.00 H new ATOM 426 N LEU A 85 -11.229 -6.356 2.874 1.00 0.00 N ATOM 427 CA LEU A 85 -11.493 -7.046 1.616 1.00 0.00 C ATOM 428 C LEU A 85 -11.499 -8.558 1.815 1.00 0.00 C ATOM 429 O LEU A 85 -10.693 -9.099 2.574 1.00 0.00 O ATOM 430 CB LEU A 85 -10.443 -6.663 0.571 1.00 0.00 C ATOM 431 CG LEU A 85 -10.646 -5.314 -0.121 1.00 0.00 C ATOM 432 CD1 LEU A 85 -9.334 -4.809 -0.700 1.00 0.00 C ATOM 433 CD2 LEU A 85 -11.703 -5.427 -1.210 1.00 0.00 C ATOM 0 H LEU A 85 -10.291 -5.963 2.951 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.478 -6.740 1.263 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.465 -6.658 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -10.419 -7.441 -0.193 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.993 -4.595 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -9.498 -3.848 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.605 -4.689 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -8.958 -5.527 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.834 -4.458 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.385 -6.160 -1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -12.648 -5.744 -0.768 1.00 0.00 H new ATOM 445 N HIS A 86 -12.413 -9.237 1.128 1.00 0.00 N ATOM 446 CA HIS A 86 -12.522 -10.688 1.228 1.00 0.00 C ATOM 447 C HIS A 86 -12.085 -11.357 -0.072 1.00 0.00 C ATOM 448 O HIS A 86 -12.465 -12.492 -0.354 1.00 0.00 O ATOM 449 CB HIS A 86 -13.958 -11.090 1.564 1.00 0.00 C ATOM 450 CG HIS A 86 -14.274 -11.017 3.026 1.00 0.00 C ATOM 451 ND1 HIS A 86 -15.366 -11.641 3.592 1.00 0.00 N ATOM 452 CD2 HIS A 86 -13.633 -10.391 4.040 1.00 0.00 C ATOM 453 CE1 HIS A 86 -15.384 -11.400 4.891 1.00 0.00 C ATOM 454 NE2 HIS A 86 -14.343 -10.643 5.189 1.00 0.00 N ATOM 0 H HIS A 86 -13.088 -8.806 0.497 1.00 0.00 H new ATOM 0 HA HIS A 86 -11.862 -11.023 2.028 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -14.645 -10.442 1.019 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.133 -12.107 1.213 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -16.053 -12.201 3.087 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.731 -9.803 3.961 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -16.124 -11.761 5.590 1.00 0.00 H new ATOM 462 N GLU A 87 -11.286 -10.643 -0.859 1.00 0.00 N ATOM 463 CA GLU A 87 -10.800 -11.168 -2.130 1.00 0.00 C ATOM 464 C GLU A 87 -9.274 -11.212 -2.152 1.00 0.00 C ATOM 465 O GLU A 87 -8.609 -10.281 -1.697 1.00 0.00 O ATOM 466 CB GLU A 87 -11.313 -10.313 -3.290 1.00 0.00 C ATOM 467 CG GLU A 87 -10.851 -8.866 -3.231 1.00 0.00 C ATOM 468 CD GLU A 87 -10.909 -8.180 -4.582 1.00 0.00 C ATOM 469 OE1 GLU A 87 -11.947 -8.302 -5.267 1.00 0.00 O ATOM 470 OE2 GLU A 87 -9.916 -7.520 -4.955 1.00 0.00 O ATOM 0 H GLU A 87 -10.962 -9.701 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.178 -12.184 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.980 -10.754 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.403 -10.338 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.473 -8.319 -2.523 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -9.829 -8.830 -2.853 1.00 0.00 H new ATOM 477 N TYR A 88 -8.728 -12.299 -2.684 1.00 0.00 N ATOM 478 CA TYR A 88 -7.281 -12.467 -2.764 1.00 0.00 C ATOM 479 C TYR A 88 -6.702 -11.660 -3.922 1.00 0.00 C ATOM 480 O TYR A 88 -6.816 -12.051 -5.084 1.00 0.00 O ATOM 481 CB TYR A 88 -6.927 -13.945 -2.929 1.00 0.00 C ATOM 482 CG TYR A 88 -5.620 -14.332 -2.273 1.00 0.00 C ATOM 483 CD1 TYR A 88 -4.408 -14.130 -2.922 1.00 0.00 C ATOM 484 CD2 TYR A 88 -5.598 -14.900 -1.006 1.00 0.00 C ATOM 485 CE1 TYR A 88 -3.212 -14.482 -2.327 1.00 0.00 C ATOM 486 CE2 TYR A 88 -4.407 -15.254 -0.403 1.00 0.00 C ATOM 487 CZ TYR A 88 -3.217 -15.043 -1.067 1.00 0.00 C ATOM 488 OH TYR A 88 -2.028 -15.396 -0.470 1.00 0.00 O ATOM 0 H TYR A 88 -9.265 -13.077 -3.066 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.846 -12.098 -1.835 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.729 -14.551 -2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.874 -14.181 -3.992 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.401 -13.690 -3.908 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.528 -15.068 -0.483 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.279 -14.319 -2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.408 -15.694 0.583 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.630 -16.150 -0.954 1.00 0.00 H new ATOM 498 N ASP A 89 -6.080 -10.533 -3.596 1.00 0.00 N ATOM 499 CA ASP A 89 -5.480 -9.670 -4.608 1.00 0.00 C ATOM 500 C ASP A 89 -4.017 -9.388 -4.283 1.00 0.00 C ATOM 501 O ASP A 89 -3.696 -8.882 -3.208 1.00 0.00 O ATOM 502 CB ASP A 89 -6.255 -8.356 -4.713 1.00 0.00 C ATOM 503 CG ASP A 89 -6.231 -7.780 -6.115 1.00 0.00 C ATOM 504 OD1 ASP A 89 -5.203 -7.943 -6.806 1.00 0.00 O ATOM 505 OD2 ASP A 89 -7.239 -7.165 -6.521 1.00 0.00 O ATOM 0 H ASP A 89 -5.978 -10.195 -2.639 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.527 -10.188 -5.566 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.289 -8.522 -4.409 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.831 -7.631 -4.018 1.00 0.00 H new ATOM 510 N MET A 90 -3.134 -9.719 -5.219 1.00 0.00 N ATOM 511 CA MET A 90 -1.704 -9.500 -5.031 1.00 0.00 C ATOM 512 C MET A 90 -1.389 -8.011 -4.940 1.00 0.00 C ATOM 513 O MET A 90 -0.268 -7.621 -4.610 1.00 0.00 O ATOM 514 CB MET A 90 -0.915 -10.130 -6.181 1.00 0.00 C ATOM 515 CG MET A 90 -0.485 -11.563 -5.909 1.00 0.00 C ATOM 516 SD MET A 90 1.150 -11.666 -5.155 1.00 0.00 S ATOM 517 CE MET A 90 0.725 -11.612 -3.416 1.00 0.00 C ATOM 0 H MET A 90 -3.383 -10.139 -6.114 1.00 0.00 H new ATOM 0 HA MET A 90 -1.409 -9.973 -4.094 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.525 -10.107 -7.084 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.030 -9.525 -6.378 1.00 0.00 H new ATOM 0 HG2 MET A 90 -1.214 -12.039 -5.253 1.00 0.00 H new ATOM 0 HG3 MET A 90 -0.485 -12.122 -6.845 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.582 -11.930 -2.822 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.450 -10.594 -3.140 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.116 -12.279 -3.226 1.00 0.00 H new ATOM 527 N THR A 91 -2.385 -7.181 -5.234 1.00 0.00 N ATOM 528 CA THR A 91 -2.214 -5.734 -5.186 1.00 0.00 C ATOM 529 C THR A 91 -2.845 -5.147 -3.929 1.00 0.00 C ATOM 530 O THR A 91 -2.208 -4.387 -3.199 1.00 0.00 O ATOM 531 CB THR A 91 -2.832 -5.054 -6.423 1.00 0.00 C ATOM 532 OG1 THR A 91 -4.243 -5.293 -6.459 1.00 0.00 O ATOM 533 CG2 THR A 91 -2.192 -5.572 -7.702 1.00 0.00 C ATOM 0 H THR A 91 -3.319 -7.486 -5.508 1.00 0.00 H new ATOM 0 HA THR A 91 -1.141 -5.543 -5.173 1.00 0.00 H new ATOM 0 HB THR A 91 -2.647 -3.982 -6.352 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.411 -6.225 -6.712 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.645 -5.077 -8.561 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.122 -5.362 -7.684 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.350 -6.648 -7.778 1.00 0.00 H new ATOM 541 N LYS A 92 -4.100 -5.504 -3.680 1.00 0.00 N ATOM 542 CA LYS A 92 -4.818 -5.015 -2.509 1.00 0.00 C ATOM 543 C LYS A 92 -4.219 -5.583 -1.227 1.00 0.00 C ATOM 544 O LYS A 92 -4.072 -4.874 -0.232 1.00 0.00 O ATOM 545 CB LYS A 92 -6.299 -5.387 -2.601 1.00 0.00 C ATOM 546 CG LYS A 92 -6.961 -4.936 -3.892 1.00 0.00 C ATOM 547 CD LYS A 92 -7.717 -3.631 -3.704 1.00 0.00 C ATOM 548 CE LYS A 92 -6.809 -2.427 -3.903 1.00 0.00 C ATOM 549 NZ LYS A 92 -6.580 -2.138 -5.346 1.00 0.00 N ATOM 0 H LYS A 92 -4.642 -6.131 -4.274 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.723 -3.929 -2.483 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -6.400 -6.468 -2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -6.829 -4.945 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -6.204 -4.811 -4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -7.647 -5.708 -4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -8.545 -3.584 -4.411 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.149 -3.601 -2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -7.253 -1.554 -3.424 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -5.853 -2.608 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -5.957 -1.311 -5.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.133 -2.961 -5.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -7.490 -1.940 -5.809 1.00 0.00 H new ATOM 563 N MET A 93 -3.873 -6.866 -1.258 1.00 0.00 N ATOM 564 CA MET A 93 -3.287 -7.528 -0.099 1.00 0.00 C ATOM 565 C MET A 93 -1.967 -6.872 0.292 1.00 0.00 C ATOM 566 O MET A 93 -1.229 -6.357 -0.548 1.00 0.00 O ATOM 567 CB MET A 93 -3.065 -9.013 -0.390 1.00 0.00 C ATOM 568 CG MET A 93 -1.780 -9.298 -1.150 1.00 0.00 C ATOM 569 SD MET A 93 -1.545 -11.054 -1.484 1.00 0.00 S ATOM 570 CE MET A 93 -1.617 -11.727 0.174 1.00 0.00 C ATOM 0 H MET A 93 -3.989 -7.468 -2.074 1.00 0.00 H new ATOM 0 HA MET A 93 -3.983 -7.429 0.734 1.00 0.00 H new ATOM 0 HB2 MET A 93 -3.049 -9.561 0.552 1.00 0.00 H new ATOM 0 HB3 MET A 93 -3.909 -9.392 -0.965 1.00 0.00 H new ATOM 0 HG2 MET A 93 -1.791 -8.751 -2.093 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.932 -8.925 -0.575 1.00 0.00 H new ATOM 0 HE1 MET A 93 -1.180 -12.726 0.181 1.00 0.00 H new ATOM 0 HE2 MET A 93 -1.059 -11.082 0.853 1.00 0.00 H new ATOM 0 HE3 MET A 93 -2.656 -11.783 0.499 1.00 0.00 H new ATOM 580 N PRO A 94 -1.659 -6.890 1.598 1.00 0.00 N ATOM 581 CA PRO A 94 -0.426 -6.301 2.129 1.00 0.00 C ATOM 582 C PRO A 94 0.814 -7.091 1.726 1.00 0.00 C ATOM 583 O PRO A 94 0.723 -8.263 1.362 1.00 0.00 O ATOM 584 CB PRO A 94 -0.629 -6.361 3.645 1.00 0.00 C ATOM 585 CG PRO A 94 -1.585 -7.485 3.855 1.00 0.00 C ATOM 586 CD PRO A 94 -2.491 -7.487 2.656 1.00 0.00 C ATOM 0 HA PRO A 94 -0.258 -5.294 1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.313 -6.540 4.164 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.031 -5.423 4.028 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.057 -8.434 3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.154 -7.347 4.774 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -2.810 -8.496 2.395 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.394 -6.903 2.834 1.00 0.00 H new ATOM 594 N GLU A 95 1.972 -6.442 1.794 1.00 0.00 N ATOM 595 CA GLU A 95 3.230 -7.085 1.436 1.00 0.00 C ATOM 596 C GLU A 95 3.751 -7.942 2.586 1.00 0.00 C ATOM 597 O GLU A 95 3.197 -7.927 3.686 1.00 0.00 O ATOM 598 CB GLU A 95 4.275 -6.035 1.054 1.00 0.00 C ATOM 599 CG GLU A 95 3.831 -5.114 -0.070 1.00 0.00 C ATOM 600 CD GLU A 95 4.439 -3.729 0.036 1.00 0.00 C ATOM 601 OE1 GLU A 95 5.511 -3.597 0.662 1.00 0.00 O ATOM 602 OE2 GLU A 95 3.841 -2.776 -0.508 1.00 0.00 O ATOM 0 H GLU A 95 2.065 -5.471 2.094 1.00 0.00 H new ATOM 0 HA GLU A 95 3.045 -7.732 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.512 -5.434 1.932 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.194 -6.541 0.756 1.00 0.00 H new ATOM 0 HG2 GLU A 95 4.108 -5.556 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.744 -5.031 -0.059 1.00 0.00 H new ATOM 609 N CYS A 96 4.818 -8.689 2.324 1.00 0.00 N ATOM 610 CA CYS A 96 5.414 -9.554 3.335 1.00 0.00 C ATOM 611 C CYS A 96 6.001 -8.730 4.477 1.00 0.00 C ATOM 612 O CYS A 96 7.044 -8.093 4.325 1.00 0.00 O ATOM 613 CB CYS A 96 6.502 -10.429 2.711 1.00 0.00 C ATOM 614 SG CYS A 96 7.043 -11.810 3.768 1.00 0.00 S ATOM 0 H CYS A 96 5.288 -8.713 1.419 1.00 0.00 H new ATOM 0 HA CYS A 96 4.629 -10.195 3.738 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.133 -10.831 1.767 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.365 -9.805 2.477 1.00 0.00 H new ATOM 619 N TYR A 97 5.325 -8.748 5.621 1.00 0.00 N ATOM 620 CA TYR A 97 5.779 -8.001 6.788 1.00 0.00 C ATOM 621 C TYR A 97 7.289 -8.129 6.964 1.00 0.00 C ATOM 622 O TYR A 97 7.956 -7.193 7.405 1.00 0.00 O ATOM 623 CB TYR A 97 5.064 -8.498 8.046 1.00 0.00 C ATOM 624 CG TYR A 97 5.888 -8.357 9.306 1.00 0.00 C ATOM 625 CD1 TYR A 97 6.519 -7.159 9.617 1.00 0.00 C ATOM 626 CD2 TYR A 97 6.037 -9.423 10.185 1.00 0.00 C ATOM 627 CE1 TYR A 97 7.273 -7.026 10.767 1.00 0.00 C ATOM 628 CE2 TYR A 97 6.788 -9.299 11.338 1.00 0.00 C ATOM 629 CZ TYR A 97 7.404 -8.099 11.624 1.00 0.00 C ATOM 630 OH TYR A 97 8.155 -7.971 12.770 1.00 0.00 O ATOM 0 H TYR A 97 4.461 -9.271 5.765 1.00 0.00 H new ATOM 0 HA TYR A 97 5.538 -6.950 6.631 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.133 -7.945 8.167 1.00 0.00 H new ATOM 0 HB3 TYR A 97 4.797 -9.546 7.912 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.418 -6.317 8.948 1.00 0.00 H new ATOM 0 HD2 TYR A 97 5.557 -10.365 9.963 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.757 -6.088 10.994 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.892 -10.137 12.011 1.00 0.00 H new ATOM 0 HH TYR A 97 8.145 -8.817 13.264 1.00 0.00 H new ATOM 640 N PHE A 98 7.822 -9.295 6.615 1.00 0.00 N ATOM 641 CA PHE A 98 9.253 -9.547 6.734 1.00 0.00 C ATOM 642 C PHE A 98 10.034 -8.757 5.687 1.00 0.00 C ATOM 643 O PHE A 98 10.834 -7.883 6.023 1.00 0.00 O ATOM 644 CB PHE A 98 9.544 -11.042 6.581 1.00 0.00 C ATOM 645 CG PHE A 98 8.868 -11.893 7.617 1.00 0.00 C ATOM 646 CD1 PHE A 98 9.388 -11.993 8.898 1.00 0.00 C ATOM 647 CD2 PHE A 98 7.712 -12.594 7.311 1.00 0.00 C ATOM 648 CE1 PHE A 98 8.768 -12.775 9.854 1.00 0.00 C ATOM 649 CE2 PHE A 98 7.088 -13.377 8.264 1.00 0.00 C ATOM 650 CZ PHE A 98 7.617 -13.468 9.536 1.00 0.00 C ATOM 0 H PHE A 98 7.285 -10.080 6.248 1.00 0.00 H new ATOM 0 HA PHE A 98 9.572 -9.220 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 98 9.225 -11.367 5.591 1.00 0.00 H new ATOM 0 HB3 PHE A 98 10.621 -11.202 6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 98 10.288 -11.453 9.152 1.00 0.00 H new ATOM 0 HD2 PHE A 98 7.294 -12.528 6.317 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.183 -12.844 10.849 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.187 -13.917 8.014 1.00 0.00 H new ATOM 0 HZ PHE A 98 7.131 -14.080 10.281 1.00 0.00 H new ATOM 660 N TYR A 99 9.795 -9.070 4.419 1.00 0.00 N ATOM 661 CA TYR A 99 10.477 -8.392 3.323 1.00 0.00 C ATOM 662 C TYR A 99 10.154 -6.901 3.320 1.00 0.00 C ATOM 663 O TYR A 99 10.841 -6.107 2.678 1.00 0.00 O ATOM 664 CB TYR A 99 10.079 -9.014 1.984 1.00 0.00 C ATOM 665 CG TYR A 99 11.157 -8.921 0.928 1.00 0.00 C ATOM 666 CD1 TYR A 99 12.115 -9.920 0.795 1.00 0.00 C ATOM 667 CD2 TYR A 99 11.220 -7.835 0.065 1.00 0.00 C ATOM 668 CE1 TYR A 99 13.102 -9.839 -0.167 1.00 0.00 C ATOM 669 CE2 TYR A 99 12.203 -7.746 -0.902 1.00 0.00 C ATOM 670 CZ TYR A 99 13.142 -8.750 -1.014 1.00 0.00 C ATOM 671 OH TYR A 99 14.124 -8.665 -1.974 1.00 0.00 O ATOM 0 H TYR A 99 9.134 -9.789 4.124 1.00 0.00 H new ATOM 0 HA TYR A 99 11.551 -8.513 3.467 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.826 -10.062 2.141 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.179 -8.520 1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.087 -10.774 1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 99 10.488 -7.046 0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 99 13.839 -10.624 -0.256 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.236 -6.895 -1.566 1.00 0.00 H new ATOM 0 HH TYR A 99 14.009 -7.838 -2.487 1.00 0.00 H new ATOM 681 N SER A 100 9.102 -6.529 4.042 1.00 0.00 N ATOM 682 CA SER A 100 8.684 -5.134 4.121 1.00 0.00 C ATOM 683 C SER A 100 9.350 -4.433 5.301 1.00 0.00 C ATOM 684 O SER A 100 9.523 -3.214 5.298 1.00 0.00 O ATOM 685 CB SER A 100 7.162 -5.042 4.252 1.00 0.00 C ATOM 686 OG SER A 100 6.722 -3.698 4.156 1.00 0.00 O ATOM 0 H SER A 100 8.524 -7.174 4.581 1.00 0.00 H new ATOM 0 HA SER A 100 8.994 -4.635 3.202 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.690 -5.639 3.472 1.00 0.00 H new ATOM 0 HB3 SER A 100 6.850 -5.463 5.208 1.00 0.00 H new ATOM 0 HG SER A 100 5.746 -3.666 4.241 1.00 0.00 H new ATOM 692 N LYS A 101 9.724 -5.213 6.310 1.00 0.00 N ATOM 693 CA LYS A 101 10.373 -4.670 7.498 1.00 0.00 C ATOM 694 C LYS A 101 11.873 -4.943 7.471 1.00 0.00 C ATOM 695 O LYS A 101 12.682 -4.017 7.431 1.00 0.00 O ATOM 696 CB LYS A 101 9.756 -5.273 8.762 1.00 0.00 C ATOM 697 CG LYS A 101 9.853 -4.367 9.978 1.00 0.00 C ATOM 698 CD LYS A 101 11.160 -4.576 10.725 1.00 0.00 C ATOM 699 CE LYS A 101 11.000 -4.306 12.213 1.00 0.00 C ATOM 700 NZ LYS A 101 10.557 -5.520 12.953 1.00 0.00 N ATOM 0 H LYS A 101 9.589 -6.224 6.329 1.00 0.00 H new ATOM 0 HA LYS A 101 10.218 -3.591 7.505 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.707 -5.500 8.571 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.252 -6.218 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.774 -3.326 9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.015 -4.563 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.507 -5.598 10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.925 -3.916 10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.948 -3.957 12.623 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.275 -3.506 12.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.779 -5.411 13.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.531 -5.643 12.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.051 -6.355 12.578 1.00 0.00 H new ATOM 714 N PHE A 102 12.237 -6.221 7.491 1.00 0.00 N ATOM 715 CA PHE A 102 13.641 -6.617 7.469 1.00 0.00 C ATOM 716 C PHE A 102 14.176 -6.640 6.040 1.00 0.00 C ATOM 717 O PHE A 102 15.353 -6.370 5.802 1.00 0.00 O ATOM 718 CB PHE A 102 13.815 -7.993 8.113 1.00 0.00 C ATOM 719 CG PHE A 102 13.179 -8.105 9.469 1.00 0.00 C ATOM 720 CD1 PHE A 102 11.858 -8.502 9.599 1.00 0.00 C ATOM 721 CD2 PHE A 102 13.903 -7.813 10.614 1.00 0.00 C ATOM 722 CE1 PHE A 102 11.271 -8.605 10.846 1.00 0.00 C ATOM 723 CE2 PHE A 102 13.320 -7.915 11.864 1.00 0.00 C ATOM 724 CZ PHE A 102 12.003 -8.312 11.980 1.00 0.00 C ATOM 0 H PHE A 102 11.580 -7.000 7.522 1.00 0.00 H new ATOM 0 HA PHE A 102 14.209 -5.883 8.040 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.386 -8.750 7.456 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.879 -8.212 8.200 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.281 -8.734 8.716 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.934 -7.502 10.529 1.00 0.00 H new ATOM 0 HE1 PHE A 102 10.240 -8.915 10.934 1.00 0.00 H new ATOM 0 HE2 PHE A 102 13.895 -7.684 12.749 1.00 0.00 H new ATOM 0 HZ PHE A 102 11.546 -8.393 12.955 1.00 0.00 H new ATOM 734 N GLY A 103 13.303 -6.965 5.092 1.00 0.00 N ATOM 735 CA GLY A 103 13.705 -7.019 3.699 1.00 0.00 C ATOM 736 C GLY A 103 14.473 -8.282 3.365 1.00 0.00 C ATOM 737 O GLY A 103 15.348 -8.274 2.500 1.00 0.00 O ATOM 0 H GLY A 103 12.324 -7.192 5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 103 12.820 -6.958 3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 103 14.322 -6.151 3.468 1.00 0.00 H new ATOM 741 N GLU A 104 14.146 -9.371 4.055 1.00 0.00 N ATOM 742 CA GLU A 104 14.813 -10.647 3.828 1.00 0.00 C ATOM 743 C GLU A 104 13.853 -11.812 4.055 1.00 0.00 C ATOM 744 O GLU A 104 13.425 -12.068 5.181 1.00 0.00 O ATOM 745 CB GLU A 104 16.026 -10.785 4.751 1.00 0.00 C ATOM 746 CG GLU A 104 16.882 -9.531 4.822 1.00 0.00 C ATOM 747 CD GLU A 104 18.155 -9.739 5.619 1.00 0.00 C ATOM 748 OE1 GLU A 104 19.160 -10.184 5.028 1.00 0.00 O ATOM 749 OE2 GLU A 104 18.145 -9.455 6.836 1.00 0.00 O ATOM 0 H GLU A 104 13.424 -9.394 4.775 1.00 0.00 H new ATOM 0 HA GLU A 104 15.149 -10.672 2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 104 15.682 -11.037 5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 104 16.642 -11.616 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.138 -9.213 3.812 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.303 -8.725 5.273 1.00 0.00 H new ATOM 756 N CYS A 105 13.518 -12.513 2.977 1.00 0.00 N ATOM 757 CA CYS A 105 12.608 -13.649 3.056 1.00 0.00 C ATOM 758 C CYS A 105 13.084 -14.790 2.161 1.00 0.00 C ATOM 759 O CYS A 105 13.351 -14.593 0.976 1.00 0.00 O ATOM 760 CB CYS A 105 11.194 -13.226 2.654 1.00 0.00 C ATOM 761 SG CYS A 105 9.879 -14.288 3.332 1.00 0.00 S ATOM 0 H CYS A 105 13.863 -12.314 2.038 1.00 0.00 H new ATOM 0 HA CYS A 105 12.595 -14.001 4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 105 11.025 -12.201 2.985 1.00 0.00 H new ATOM 0 HB3 CYS A 105 11.122 -13.226 1.566 1.00 0.00 H new ATOM 766 N SER A 106 13.186 -15.984 2.737 1.00 0.00 N ATOM 767 CA SER A 106 13.632 -17.156 1.993 1.00 0.00 C ATOM 768 C SER A 106 12.453 -18.061 1.647 1.00 0.00 C ATOM 769 O SER A 106 12.541 -19.283 1.759 1.00 0.00 O ATOM 770 CB SER A 106 14.668 -17.937 2.804 1.00 0.00 C ATOM 771 OG SER A 106 15.228 -18.988 2.037 1.00 0.00 O ATOM 0 H SER A 106 12.966 -16.165 3.716 1.00 0.00 H new ATOM 0 HA SER A 106 14.090 -16.814 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.458 -17.263 3.135 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.201 -18.345 3.700 1.00 0.00 H new ATOM 0 HG SER A 106 14.509 -19.535 1.657 1.00 0.00 H new ATOM 777 N ASN A 107 11.350 -17.450 1.227 1.00 0.00 N ATOM 778 CA ASN A 107 10.152 -18.200 0.865 1.00 0.00 C ATOM 779 C ASN A 107 9.880 -18.100 -0.633 1.00 0.00 C ATOM 780 O ASN A 107 9.308 -17.118 -1.108 1.00 0.00 O ATOM 781 CB ASN A 107 8.945 -17.683 1.650 1.00 0.00 C ATOM 782 CG ASN A 107 8.896 -18.231 3.063 1.00 0.00 C ATOM 783 OD1 ASN A 107 9.924 -18.355 3.728 1.00 0.00 O ATOM 784 ND2 ASN A 107 7.697 -18.562 3.527 1.00 0.00 N ATOM 0 H ASN A 107 11.261 -16.439 1.129 1.00 0.00 H new ATOM 0 HA ASN A 107 10.319 -19.247 1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 107 8.978 -16.594 1.687 1.00 0.00 H new ATOM 0 HB3 ASN A 107 8.030 -17.957 1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.601 -18.936 4.471 1.00 0.00 H new ATOM 0 HD22 ASN A 107 6.872 -18.442 2.940 1.00 0.00 H new ATOM 791 N LYS A 108 10.293 -19.123 -1.373 1.00 0.00 N ATOM 792 CA LYS A 108 10.093 -19.153 -2.817 1.00 0.00 C ATOM 793 C LYS A 108 8.611 -19.062 -3.163 1.00 0.00 C ATOM 794 O LYS A 108 8.226 -18.372 -4.106 1.00 0.00 O ATOM 795 CB LYS A 108 10.688 -20.434 -3.408 1.00 0.00 C ATOM 796 CG LYS A 108 10.326 -20.655 -4.867 1.00 0.00 C ATOM 797 CD LYS A 108 11.209 -21.715 -5.505 1.00 0.00 C ATOM 798 CE LYS A 108 11.099 -21.691 -7.022 1.00 0.00 C ATOM 799 NZ LYS A 108 11.732 -20.476 -7.606 1.00 0.00 N ATOM 0 H LYS A 108 10.769 -19.943 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 108 10.602 -18.290 -3.247 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.773 -20.398 -3.313 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.345 -21.288 -2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 108 9.281 -20.957 -4.942 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.427 -19.718 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.246 -21.551 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 108 10.924 -22.699 -5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.574 -22.581 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.048 -21.727 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 11.911 -20.631 -8.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.096 -19.662 -7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 12.632 -20.286 -7.120 1.00 0.00 H new ATOM 813 N GLU A 109 7.784 -19.762 -2.393 1.00 0.00 N ATOM 814 CA GLU A 109 6.343 -19.759 -2.619 1.00 0.00 C ATOM 815 C GLU A 109 5.635 -18.866 -1.603 1.00 0.00 C ATOM 816 O GLU A 109 4.597 -19.235 -1.053 1.00 0.00 O ATOM 817 CB GLU A 109 5.788 -21.182 -2.538 1.00 0.00 C ATOM 818 CG GLU A 109 6.340 -22.113 -3.605 1.00 0.00 C ATOM 819 CD GLU A 109 6.092 -23.575 -3.289 1.00 0.00 C ATOM 820 OE1 GLU A 109 4.912 -23.980 -3.246 1.00 0.00 O ATOM 821 OE2 GLU A 109 7.078 -24.314 -3.084 1.00 0.00 O ATOM 0 H GLU A 109 8.087 -20.338 -1.608 1.00 0.00 H new ATOM 0 HA GLU A 109 6.159 -19.362 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 109 6.014 -21.595 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.702 -21.145 -2.627 1.00 0.00 H new ATOM 0 HG2 GLU A 109 5.884 -21.870 -4.565 1.00 0.00 H new ATOM 0 HG3 GLU A 109 7.412 -21.945 -3.710 1.00 0.00 H new ATOM 828 N CYS A 110 6.204 -17.691 -1.360 1.00 0.00 N ATOM 829 CA CYS A 110 5.630 -16.745 -0.410 1.00 0.00 C ATOM 830 C CYS A 110 4.434 -16.021 -1.020 1.00 0.00 C ATOM 831 O CYS A 110 4.557 -15.276 -1.993 1.00 0.00 O ATOM 832 CB CYS A 110 6.686 -15.728 0.030 1.00 0.00 C ATOM 833 SG CYS A 110 6.372 -14.992 1.666 1.00 0.00 S ATOM 0 H CYS A 110 7.063 -17.370 -1.808 1.00 0.00 H new ATOM 0 HA CYS A 110 5.289 -17.304 0.461 1.00 0.00 H new ATOM 0 HB2 CYS A 110 7.661 -16.215 0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 110 6.738 -14.931 -0.711 1.00 0.00 H new ATOM 838 N PRO A 111 3.247 -16.243 -0.436 1.00 0.00 N ATOM 839 CA PRO A 111 2.005 -15.621 -0.904 1.00 0.00 C ATOM 840 C PRO A 111 1.969 -14.121 -0.630 1.00 0.00 C ATOM 841 O PRO A 111 0.969 -13.455 -0.899 1.00 0.00 O ATOM 842 CB PRO A 111 0.922 -16.338 -0.095 1.00 0.00 C ATOM 843 CG PRO A 111 1.616 -16.802 1.139 1.00 0.00 C ATOM 844 CD PRO A 111 3.026 -17.119 0.727 1.00 0.00 C ATOM 0 HA PRO A 111 1.883 -15.716 -1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 111 0.097 -15.667 0.143 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.501 -17.176 -0.651 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.599 -16.031 1.910 1.00 0.00 H new ATOM 0 HG3 PRO A 111 1.124 -17.681 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.735 -16.910 1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.141 -18.171 0.465 1.00 0.00 H new ATOM 852 N PHE A 112 3.066 -13.596 -0.094 1.00 0.00 N ATOM 853 CA PHE A 112 3.159 -12.174 0.217 1.00 0.00 C ATOM 854 C PHE A 112 4.033 -11.451 -0.803 1.00 0.00 C ATOM 855 O PHE A 112 4.946 -12.039 -1.385 1.00 0.00 O ATOM 856 CB PHE A 112 3.726 -11.974 1.624 1.00 0.00 C ATOM 857 CG PHE A 112 2.702 -12.137 2.711 1.00 0.00 C ATOM 858 CD1 PHE A 112 1.768 -11.143 2.956 1.00 0.00 C ATOM 859 CD2 PHE A 112 2.675 -13.283 3.489 1.00 0.00 C ATOM 860 CE1 PHE A 112 0.825 -11.290 3.955 1.00 0.00 C ATOM 861 CE2 PHE A 112 1.733 -13.436 4.489 1.00 0.00 C ATOM 862 CZ PHE A 112 0.808 -12.437 4.723 1.00 0.00 C ATOM 0 H PHE A 112 3.902 -14.133 0.134 1.00 0.00 H new ATOM 0 HA PHE A 112 2.155 -11.752 0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 112 4.534 -12.688 1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.162 -10.978 1.693 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.777 -10.243 2.359 1.00 0.00 H new ATOM 0 HD2 PHE A 112 3.398 -14.066 3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.102 -10.508 4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 112 1.720 -14.335 5.087 1.00 0.00 H new ATOM 0 HZ PHE A 112 0.073 -12.553 5.505 1.00 0.00 H new ATOM 872 N LEU A 113 3.747 -10.171 -1.017 1.00 0.00 N ATOM 873 CA LEU A 113 4.506 -9.366 -1.967 1.00 0.00 C ATOM 874 C LEU A 113 5.920 -9.107 -1.455 1.00 0.00 C ATOM 875 O LEU A 113 6.122 -8.833 -0.272 1.00 0.00 O ATOM 876 CB LEU A 113 3.793 -8.037 -2.223 1.00 0.00 C ATOM 877 CG LEU A 113 2.384 -8.133 -2.807 1.00 0.00 C ATOM 878 CD1 LEU A 113 1.392 -8.568 -1.740 1.00 0.00 C ATOM 879 CD2 LEU A 113 1.966 -6.801 -3.414 1.00 0.00 C ATOM 0 H LEU A 113 2.995 -9.669 -0.545 1.00 0.00 H new ATOM 0 HA LEU A 113 4.574 -9.921 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 113 3.738 -7.490 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.406 -7.444 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 113 2.390 -8.884 -3.597 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.394 -8.631 -2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.681 -9.545 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.389 -7.841 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 113 0.960 -6.888 -3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 113 1.978 -6.030 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.661 -6.530 -4.209 1.00 0.00 H new ATOM 891 N HIS A 114 6.895 -9.195 -2.355 1.00 0.00 N ATOM 892 CA HIS A 114 8.290 -8.968 -1.994 1.00 0.00 C ATOM 893 C HIS A 114 8.826 -7.707 -2.667 1.00 0.00 C ATOM 894 O HIS A 114 9.125 -7.709 -3.861 1.00 0.00 O ATOM 895 CB HIS A 114 9.143 -10.173 -2.390 1.00 0.00 C ATOM 896 CG HIS A 114 9.256 -11.206 -1.311 1.00 0.00 C ATOM 897 ND1 HIS A 114 9.857 -12.432 -1.504 1.00 0.00 N ATOM 898 CD2 HIS A 114 8.842 -11.190 -0.023 1.00 0.00 C ATOM 899 CE1 HIS A 114 9.806 -13.126 -0.381 1.00 0.00 C ATOM 900 NE2 HIS A 114 9.195 -12.395 0.534 1.00 0.00 N ATOM 0 H HIS A 114 6.745 -9.422 -3.338 1.00 0.00 H new ATOM 0 HA HIS A 114 8.344 -8.834 -0.914 1.00 0.00 H new ATOM 0 HB2 HIS A 114 8.715 -10.634 -3.280 1.00 0.00 H new ATOM 0 HB3 HIS A 114 10.142 -9.829 -2.658 1.00 0.00 H new ATOM 0 HD1 HIS A 114 10.275 -12.753 -2.377 1.00 0.00 H new ATOM 0 HD2 HIS A 114 8.329 -10.380 0.475 1.00 0.00 H new ATOM 0 HE1 HIS A 114 10.197 -14.122 -0.236 1.00 0.00 H new ATOM 908 N ILE A 115 8.944 -6.634 -1.892 1.00 0.00 N ATOM 909 CA ILE A 115 9.445 -5.368 -2.413 1.00 0.00 C ATOM 910 C ILE A 115 10.814 -5.036 -1.829 1.00 0.00 C ATOM 911 O ILE A 115 11.002 -5.056 -0.613 1.00 0.00 O ATOM 912 CB ILE A 115 8.475 -4.211 -2.108 1.00 0.00 C ATOM 913 CG1 ILE A 115 7.092 -4.509 -2.692 1.00 0.00 C ATOM 914 CG2 ILE A 115 9.020 -2.903 -2.663 1.00 0.00 C ATOM 915 CD1 ILE A 115 6.043 -3.488 -2.311 1.00 0.00 C ATOM 0 H ILE A 115 8.700 -6.616 -0.902 1.00 0.00 H new ATOM 0 HA ILE A 115 9.532 -5.484 -3.493 1.00 0.00 H new ATOM 0 HB ILE A 115 8.379 -4.112 -1.027 1.00 0.00 H new ATOM 0 HG12 ILE A 115 7.167 -4.553 -3.779 1.00 0.00 H new ATOM 0 HG13 ILE A 115 6.768 -5.494 -2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.324 -2.095 -2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.985 -2.687 -2.205 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.142 -2.989 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.088 -3.762 -2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 115 5.940 -3.460 -1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.344 -2.505 -2.672 1.00 0.00 H new ATOM 927 N ASP A 116 11.765 -4.729 -2.704 1.00 0.00 N ATOM 928 CA ASP A 116 13.117 -4.390 -2.276 1.00 0.00 C ATOM 929 C ASP A 116 13.091 -3.300 -1.208 1.00 0.00 C ATOM 930 O ASP A 116 12.345 -2.325 -1.299 1.00 0.00 O ATOM 931 CB ASP A 116 13.953 -3.929 -3.471 1.00 0.00 C ATOM 932 CG ASP A 116 15.441 -4.107 -3.239 1.00 0.00 C ATOM 933 OD1 ASP A 116 16.027 -3.290 -2.499 1.00 0.00 O ATOM 934 OD2 ASP A 116 16.019 -5.063 -3.798 1.00 0.00 O ATOM 0 H ASP A 116 11.625 -4.708 -3.714 1.00 0.00 H new ATOM 0 HA ASP A 116 13.571 -5.284 -1.848 1.00 0.00 H new ATOM 0 HB2 ASP A 116 13.656 -4.491 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 116 13.743 -2.879 -3.674 1.00 0.00 H new ATOM 939 N PRO A 117 13.923 -3.469 -0.170 1.00 0.00 N ATOM 940 CA PRO A 117 14.014 -2.511 0.936 1.00 0.00 C ATOM 941 C PRO A 117 14.654 -1.193 0.511 1.00 0.00 C ATOM 942 O PRO A 117 14.840 -0.292 1.327 1.00 0.00 O ATOM 943 CB PRO A 117 14.899 -3.230 1.957 1.00 0.00 C ATOM 944 CG PRO A 117 15.716 -4.178 1.149 1.00 0.00 C ATOM 945 CD PRO A 117 14.841 -4.608 0.004 1.00 0.00 C ATOM 0 HA PRO A 117 13.031 -2.239 1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 117 15.530 -2.526 2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.299 -3.757 2.699 1.00 0.00 H new ATOM 0 HG2 PRO A 117 16.625 -3.698 0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 117 16.025 -5.035 1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 117 15.423 -4.796 -0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.302 -5.527 0.233 1.00 0.00 H new ATOM 953 N GLU A 118 14.988 -1.090 -0.772 1.00 0.00 N ATOM 954 CA GLU A 118 15.608 0.118 -1.304 1.00 0.00 C ATOM 955 C GLU A 118 14.631 0.885 -2.190 1.00 0.00 C ATOM 956 O GLU A 118 14.865 2.044 -2.532 1.00 0.00 O ATOM 957 CB GLU A 118 16.865 -0.236 -2.101 1.00 0.00 C ATOM 958 CG GLU A 118 17.954 -0.886 -1.264 1.00 0.00 C ATOM 959 CD GLU A 118 19.343 -0.635 -1.815 1.00 0.00 C ATOM 960 OE1 GLU A 118 19.461 -0.364 -3.029 1.00 0.00 O ATOM 961 OE2 GLU A 118 20.314 -0.707 -1.032 1.00 0.00 O ATOM 0 H GLU A 118 14.840 -1.827 -1.461 1.00 0.00 H new ATOM 0 HA GLU A 118 15.886 0.754 -0.463 1.00 0.00 H new ATOM 0 HB2 GLU A 118 16.592 -0.910 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 118 17.262 0.670 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 118 17.898 -0.506 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 118 17.776 -1.960 -1.214 1.00 0.00 H new ATOM 968 N SER A 119 13.534 0.230 -2.558 1.00 0.00 N ATOM 969 CA SER A 119 12.523 0.848 -3.407 1.00 0.00 C ATOM 970 C SER A 119 11.445 1.524 -2.564 1.00 0.00 C ATOM 971 O SER A 119 10.378 1.879 -3.067 1.00 0.00 O ATOM 972 CB SER A 119 11.887 -0.198 -4.324 1.00 0.00 C ATOM 973 OG SER A 119 11.379 0.399 -5.504 1.00 0.00 O ATOM 0 H SER A 119 13.323 -0.729 -2.281 1.00 0.00 H new ATOM 0 HA SER A 119 13.012 1.607 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 119 12.627 -0.955 -4.585 1.00 0.00 H new ATOM 0 HB3 SER A 119 11.082 -0.708 -3.795 1.00 0.00 H new ATOM 0 HG SER A 119 10.825 1.172 -5.267 1.00 0.00 H new ATOM 979 N LYS A 120 11.732 1.700 -1.279 1.00 0.00 N ATOM 980 CA LYS A 120 10.790 2.334 -0.364 1.00 0.00 C ATOM 981 C LYS A 120 11.476 3.424 0.454 1.00 0.00 C ATOM 982 O LYS A 120 10.843 4.399 0.860 1.00 0.00 O ATOM 983 CB LYS A 120 10.175 1.291 0.571 1.00 0.00 C ATOM 984 CG LYS A 120 9.477 0.156 -0.159 1.00 0.00 C ATOM 985 CD LYS A 120 9.331 -1.070 0.727 1.00 0.00 C ATOM 986 CE LYS A 120 8.186 -0.910 1.715 1.00 0.00 C ATOM 987 NZ LYS A 120 6.896 -1.397 1.153 1.00 0.00 N ATOM 0 H LYS A 120 12.610 1.412 -0.847 1.00 0.00 H new ATOM 0 HA LYS A 120 9.999 2.793 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.959 0.876 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 120 9.459 1.783 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 120 8.492 0.486 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.043 -0.105 -1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 120 9.158 -1.950 0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.261 -1.241 1.270 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.415 -1.460 2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 120 8.089 0.140 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.106 -0.992 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 6.818 -1.105 0.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 6.861 -2.435 1.213 1.00 0.00 H new ATOM 1001 N ILE A 121 12.772 3.253 0.690 1.00 0.00 N ATOM 1002 CA ILE A 121 13.543 4.224 1.456 1.00 0.00 C ATOM 1003 C ILE A 121 13.151 5.651 1.089 1.00 0.00 C ATOM 1004 O ILE A 121 12.818 5.939 -0.061 1.00 0.00 O ATOM 1005 CB ILE A 121 15.056 4.045 1.232 1.00 0.00 C ATOM 1006 CG1 ILE A 121 15.509 2.670 1.730 1.00 0.00 C ATOM 1007 CG2 ILE A 121 15.830 5.150 1.934 1.00 0.00 C ATOM 1008 CD1 ILE A 121 16.936 2.333 1.359 1.00 0.00 C ATOM 0 H ILE A 121 13.310 2.451 0.362 1.00 0.00 H new ATOM 0 HA ILE A 121 13.317 4.047 2.507 1.00 0.00 H new ATOM 0 HB ILE A 121 15.260 4.108 0.163 1.00 0.00 H new ATOM 0 HG12 ILE A 121 15.406 2.633 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 121 14.846 1.908 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 121 16.898 5.009 1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 121 15.524 6.118 1.536 1.00 0.00 H new ATOM 0 HG23 ILE A 121 15.623 5.116 3.004 1.00 0.00 H new ATOM 0 HD11 ILE A 121 17.188 1.345 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 121 17.041 2.337 0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 121 17.609 3.074 1.791 1.00 0.00 H new ATOM 1020 N LYS A 122 13.195 6.542 2.073 1.00 0.00 N ATOM 1021 CA LYS A 122 12.848 7.942 1.854 1.00 0.00 C ATOM 1022 C LYS A 122 14.091 8.825 1.906 1.00 0.00 C ATOM 1023 O LYS A 122 14.468 9.440 0.909 1.00 0.00 O ATOM 1024 CB LYS A 122 11.835 8.407 2.902 1.00 0.00 C ATOM 1025 CG LYS A 122 11.315 9.814 2.663 1.00 0.00 C ATOM 1026 CD LYS A 122 10.386 9.869 1.463 1.00 0.00 C ATOM 1027 CE LYS A 122 9.647 11.197 1.390 1.00 0.00 C ATOM 1028 NZ LYS A 122 8.450 11.215 2.274 1.00 0.00 N ATOM 0 H LYS A 122 13.468 6.320 3.031 1.00 0.00 H new ATOM 0 HA LYS A 122 12.403 8.030 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 122 10.993 7.715 2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 122 12.298 8.362 3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 122 10.786 10.163 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 122 12.154 10.491 2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 122 10.961 9.721 0.549 1.00 0.00 H new ATOM 0 HD3 LYS A 122 9.665 9.053 1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 122 10.322 12.004 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.341 11.386 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.974 12.137 2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.794 10.461 1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.744 11.060 3.259 1.00 0.00 H new ATOM 1042 N ASP A 123 14.723 8.881 3.073 1.00 0.00 N ATOM 1043 CA ASP A 123 15.924 9.687 3.254 1.00 0.00 C ATOM 1044 C ASP A 123 16.745 9.735 1.969 1.00 0.00 C ATOM 1045 O ASP A 123 17.237 10.792 1.574 1.00 0.00 O ATOM 1046 CB ASP A 123 16.773 9.127 4.396 1.00 0.00 C ATOM 1047 CG ASP A 123 18.171 9.713 4.420 1.00 0.00 C ATOM 1048 OD1 ASP A 123 18.294 10.950 4.536 1.00 0.00 O ATOM 1049 OD2 ASP A 123 19.143 8.934 4.321 1.00 0.00 O ATOM 0 H ASP A 123 14.423 8.378 3.908 1.00 0.00 H new ATOM 0 HA ASP A 123 15.616 10.702 3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 123 16.280 9.333 5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 123 16.838 8.043 4.299 1.00 0.00 H new ATOM 1054 N CYS A 124 16.889 8.583 1.323 1.00 0.00 N ATOM 1055 CA CYS A 124 17.652 8.493 0.083 1.00 0.00 C ATOM 1056 C CYS A 124 17.496 9.764 -0.746 1.00 0.00 C ATOM 1057 O CYS A 124 16.478 10.453 -0.685 1.00 0.00 O ATOM 1058 CB CYS A 124 17.200 7.280 -0.731 1.00 0.00 C ATOM 1059 SG CYS A 124 15.426 7.242 -1.076 1.00 0.00 S ATOM 0 H CYS A 124 16.488 7.699 1.637 1.00 0.00 H new ATOM 0 HA CYS A 124 18.705 8.377 0.341 1.00 0.00 H new ATOM 0 HB2 CYS A 124 17.743 7.267 -1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 124 17.474 6.372 -0.193 1.00 0.00 H new ATOM 0 HG CYS A 124 14.845 8.236 -0.472 1.00 0.00 H new ATOM 1065 N PRO A 125 18.529 10.084 -1.539 1.00 0.00 N ATOM 1066 CA PRO A 125 18.531 11.274 -2.395 1.00 0.00 C ATOM 1067 C PRO A 125 17.550 11.155 -3.556 1.00 0.00 C ATOM 1068 O PRO A 125 17.214 12.148 -4.201 1.00 0.00 O ATOM 1069 CB PRO A 125 19.970 11.335 -2.914 1.00 0.00 C ATOM 1070 CG PRO A 125 20.455 9.928 -2.851 1.00 0.00 C ATOM 1071 CD PRO A 125 19.775 9.308 -1.662 1.00 0.00 C ATOM 0 HA PRO A 125 18.221 12.167 -1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 125 20.008 11.721 -3.932 1.00 0.00 H new ATOM 0 HB3 PRO A 125 20.585 11.994 -2.300 1.00 0.00 H new ATOM 0 HG2 PRO A 125 20.209 9.389 -3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 125 21.539 9.893 -2.742 1.00 0.00 H new ATOM 0 HD2 PRO A 125 19.575 8.248 -1.821 1.00 0.00 H new ATOM 0 HD3 PRO A 125 20.387 9.385 -0.763 1.00 0.00 H new ATOM 1079 N TRP A 126 17.093 9.936 -3.815 1.00 0.00 N ATOM 1080 CA TRP A 126 16.150 9.688 -4.899 1.00 0.00 C ATOM 1081 C TRP A 126 14.782 10.280 -4.577 1.00 0.00 C ATOM 1082 O TRP A 126 13.967 9.652 -3.902 1.00 0.00 O ATOM 1083 CB TRP A 126 16.020 8.186 -5.157 1.00 0.00 C ATOM 1084 CG TRP A 126 17.263 7.417 -4.825 1.00 0.00 C ATOM 1085 CD1 TRP A 126 17.351 6.296 -4.049 1.00 0.00 C ATOM 1086 CD2 TRP A 126 18.595 7.713 -5.256 1.00 0.00 C ATOM 1087 NE1 TRP A 126 18.657 5.878 -3.973 1.00 0.00 N ATOM 1088 CE2 TRP A 126 19.441 6.730 -4.705 1.00 0.00 C ATOM 1089 CE3 TRP A 126 19.157 8.712 -6.056 1.00 0.00 C ATOM 1090 CZ2 TRP A 126 20.815 6.720 -4.929 1.00 0.00 C ATOM 1091 CZ3 TRP A 126 20.521 8.701 -6.277 1.00 0.00 C ATOM 1092 CH2 TRP A 126 21.337 7.710 -5.716 1.00 0.00 C ATOM 0 H TRP A 126 17.360 9.104 -3.289 1.00 0.00 H new ATOM 0 HA TRP A 126 16.533 10.172 -5.797 1.00 0.00 H new ATOM 0 HB2 TRP A 126 15.191 7.794 -4.568 1.00 0.00 H new ATOM 0 HB3 TRP A 126 15.771 8.025 -6.206 1.00 0.00 H new ATOM 0 HD1 TRP A 126 16.516 5.810 -3.566 1.00 0.00 H new ATOM 0 HE1 TRP A 126 18.989 5.065 -3.455 1.00 0.00 H new ATOM 0 HE3 TRP A 126 18.536 9.479 -6.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 21.446 5.958 -4.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 20.965 9.469 -6.892 1.00 0.00 H new ATOM 0 HH2 TRP A 126 22.400 7.728 -5.909 1.00 0.00 H new ATOM 1103 N SER A 127 14.538 11.493 -5.063 1.00 0.00 N ATOM 1104 CA SER A 127 13.270 12.172 -4.823 1.00 0.00 C ATOM 1105 C SER A 127 12.336 12.016 -6.019 1.00 0.00 C ATOM 1106 O SER A 127 11.295 11.366 -5.928 1.00 0.00 O ATOM 1107 CB SER A 127 13.507 13.655 -4.536 1.00 0.00 C ATOM 1108 OG SER A 127 13.862 13.862 -3.180 1.00 0.00 O ATOM 0 H SER A 127 15.202 12.026 -5.625 1.00 0.00 H new ATOM 0 HA SER A 127 12.799 11.713 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 127 14.298 14.032 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 127 12.606 14.222 -4.770 1.00 0.00 H new ATOM 0 HG SER A 127 14.010 14.818 -3.023 1.00 0.00 H new ATOM 1114 N GLY A 128 12.716 12.620 -7.141 1.00 0.00 N ATOM 1115 CA GLY A 128 11.902 12.538 -8.340 1.00 0.00 C ATOM 1116 C GLY A 128 11.691 11.109 -8.801 1.00 0.00 C ATOM 1117 O GLY A 128 11.698 10.170 -8.004 1.00 0.00 O ATOM 0 H GLY A 128 13.573 13.164 -7.241 1.00 0.00 H new ATOM 0 HA2 GLY A 128 10.934 13.002 -8.151 1.00 0.00 H new ATOM 0 HA3 GLY A 128 12.378 13.108 -9.138 1.00 0.00 H new ATOM 1121 N PRO A 129 11.495 10.930 -10.115 1.00 0.00 N ATOM 1122 CA PRO A 129 11.276 9.608 -10.710 1.00 0.00 C ATOM 1123 C PRO A 129 12.531 8.743 -10.679 1.00 0.00 C ATOM 1124 O PRO A 129 12.450 7.516 -10.627 1.00 0.00 O ATOM 1125 CB PRO A 129 10.884 9.930 -12.154 1.00 0.00 C ATOM 1126 CG PRO A 129 11.501 11.258 -12.428 1.00 0.00 C ATOM 1127 CD PRO A 129 11.474 12.004 -11.123 1.00 0.00 C ATOM 0 HA PRO A 129 10.524 9.036 -10.167 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.255 9.172 -12.843 1.00 0.00 H new ATOM 0 HB3 PRO A 129 9.801 9.965 -12.272 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.522 11.146 -12.793 1.00 0.00 H new ATOM 0 HG3 PRO A 129 10.945 11.795 -13.196 1.00 0.00 H new ATOM 0 HD2 PRO A 129 12.333 12.667 -11.021 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.581 12.623 -11.032 1.00 0.00 H new ATOM 1135 N SER A 130 13.692 9.391 -10.711 1.00 0.00 N ATOM 1136 CA SER A 130 14.965 8.680 -10.690 1.00 0.00 C ATOM 1137 C SER A 130 15.880 9.236 -9.603 1.00 0.00 C ATOM 1138 O SER A 130 16.406 8.490 -8.778 1.00 0.00 O ATOM 1139 CB SER A 130 15.652 8.781 -12.053 1.00 0.00 C ATOM 1140 OG SER A 130 15.898 10.133 -12.401 1.00 0.00 O ATOM 0 H SER A 130 13.777 10.407 -10.752 1.00 0.00 H new ATOM 0 HA SER A 130 14.764 7.632 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 130 16.593 8.231 -12.031 1.00 0.00 H new ATOM 0 HB3 SER A 130 15.027 8.314 -12.814 1.00 0.00 H new ATOM 0 HG SER A 130 16.339 10.171 -13.275 1.00 0.00 H new ATOM 1146 N SER A 131 16.064 10.552 -9.610 1.00 0.00 N ATOM 1147 CA SER A 131 16.918 11.210 -8.628 1.00 0.00 C ATOM 1148 C SER A 131 16.848 12.727 -8.777 1.00 0.00 C ATOM 1149 O SER A 131 16.919 13.257 -9.885 1.00 0.00 O ATOM 1150 CB SER A 131 18.365 10.737 -8.782 1.00 0.00 C ATOM 1151 OG SER A 131 18.800 10.855 -10.125 1.00 0.00 O ATOM 0 H SER A 131 15.633 11.184 -10.285 1.00 0.00 H new ATOM 0 HA SER A 131 16.560 10.943 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 131 19.014 11.325 -8.133 1.00 0.00 H new ATOM 0 HB3 SER A 131 18.448 9.699 -8.460 1.00 0.00 H new ATOM 0 HG SER A 131 19.728 10.548 -10.196 1.00 0.00 H new ATOM 1157 N GLY A 132 16.709 13.420 -7.651 1.00 0.00 N ATOM 1158 CA GLY A 132 16.631 14.868 -7.676 1.00 0.00 C ATOM 1159 C GLY A 132 15.211 15.370 -7.845 1.00 0.00 C ATOM 1160 O GLY A 132 14.380 14.645 -8.389 1.00 0.00 O ATOM 0 H GLY A 132 16.649 13.004 -6.722 1.00 0.00 H new ATOM 0 HA2 GLY A 132 17.046 15.267 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 132 17.247 15.248 -8.491 1.00 0.00 H new TER 1164 GLY A 132 HETATM 1165 ZN ZN A 256 -13.912 -10.414 7.477 1.00 0.00 ZN HETATM 1166 ZN ZN A 456 7.964 -13.388 2.279 1.00 0.00 ZN