USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 611 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 Set 1.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= 1.17 (180deg=1.09) USER MOD Single : A 2 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.22) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 113:sc= 0.456 USER MOD Single : A 30 THR OG1 : rot 82:sc= 0.886 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 45:sc= 0.55 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 154:sc= 0.942 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00364 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.096 7.768 11.930 1.00 0.00 N ATOM 2 CA MET A 1 -6.197 6.844 12.300 1.00 0.00 C ATOM 3 C MET A 1 -6.637 6.006 11.099 1.00 0.00 C ATOM 4 O MET A 1 -6.379 4.789 11.053 1.00 0.00 O ATOM 5 CB MET A 1 -7.399 7.559 12.961 1.00 0.00 C ATOM 6 CG MET A 1 -7.051 8.303 14.257 1.00 0.00 C ATOM 7 SD MET A 1 -6.386 7.243 15.573 1.00 0.00 S ATOM 8 CE MET A 1 -6.281 8.460 16.913 1.00 0.00 C ATOM 0 H1 MET A 1 -4.725 8.226 12.787 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.335 7.233 11.466 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.456 8.494 11.278 1.00 0.00 H new ATOM 0 HA MET A 1 -5.794 6.173 13.059 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.822 8.269 12.250 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.173 6.822 13.175 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.322 9.081 14.031 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.946 8.803 14.627 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.888 7.981 17.810 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.618 9.272 16.616 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.274 8.860 17.120 1.00 0.00 H new ATOM 17 N LYS A 2 -7.305 6.596 10.094 1.00 0.00 N ATOM 18 CA LYS A 2 -7.822 5.873 8.914 1.00 0.00 C ATOM 19 C LYS A 2 -7.050 6.183 7.628 1.00 0.00 C ATOM 20 O LYS A 2 -6.513 7.278 7.453 1.00 0.00 O ATOM 21 CB LYS A 2 -9.327 6.127 8.726 1.00 0.00 C ATOM 22 CG LYS A 2 -10.176 5.482 9.836 1.00 0.00 C ATOM 23 CD LYS A 2 -11.671 5.419 9.482 1.00 0.00 C ATOM 24 CE LYS A 2 -12.306 6.808 9.349 1.00 0.00 C ATOM 25 NZ LYS A 2 -13.717 6.715 8.901 1.00 0.00 N ATOM 0 H LYS A 2 -7.504 7.596 10.075 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.668 4.813 9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.512 7.201 8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.641 5.735 7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.810 4.473 10.027 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.049 6.048 10.759 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.796 4.876 8.545 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.199 4.855 10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.260 7.325 10.308 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.735 7.405 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.145 7.663 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.751 6.321 7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.246 6.096 9.548 1.00 0.00 H new ATOM 39 N ILE A 3 -7.027 5.205 6.719 1.00 0.00 N ATOM 40 CA ILE A 3 -6.340 5.249 5.420 1.00 0.00 C ATOM 41 C ILE A 3 -7.246 4.643 4.334 1.00 0.00 C ATOM 42 O ILE A 3 -7.829 3.574 4.531 1.00 0.00 O ATOM 43 CB ILE A 3 -4.971 4.522 5.499 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.058 5.176 6.568 1.00 0.00 C ATOM 45 CG2 ILE A 3 -4.283 4.498 4.123 1.00 0.00 C ATOM 46 CD1 ILE A 3 -2.626 4.629 6.642 1.00 0.00 C ATOM 0 H ILE A 3 -7.508 4.319 6.873 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.138 6.286 5.154 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.153 3.490 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.009 6.247 6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.526 5.052 7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.326 3.983 4.204 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.917 3.974 3.408 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.118 5.520 3.781 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.075 5.156 7.421 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.655 3.564 6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.130 4.778 5.683 1.00 0.00 H new ATOM 58 N LYS A 4 -7.353 5.308 3.179 1.00 0.00 N ATOM 59 CA LYS A 4 -8.072 4.821 1.989 1.00 0.00 C ATOM 60 C LYS A 4 -7.126 4.090 1.032 1.00 0.00 C ATOM 61 O LYS A 4 -6.393 4.730 0.275 1.00 0.00 O ATOM 62 CB LYS A 4 -8.762 6.006 1.293 1.00 0.00 C ATOM 63 CG LYS A 4 -10.029 6.454 2.039 1.00 0.00 C ATOM 64 CD LYS A 4 -10.571 7.806 1.545 1.00 0.00 C ATOM 65 CE LYS A 4 -10.891 7.815 0.043 1.00 0.00 C ATOM 66 NZ LYS A 4 -11.411 9.137 -0.392 1.00 0.00 N ATOM 0 H LYS A 4 -6.931 6.226 3.039 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.830 4.102 2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.066 6.842 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.022 5.725 0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.801 5.694 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.811 6.524 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.473 8.055 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.838 8.584 1.759 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.992 7.571 -0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.627 7.042 -0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.618 9.111 -1.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.282 9.357 0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.698 9.870 -0.202 1.00 0.00 H new ATOM 80 N ILE A 5 -7.133 2.759 1.030 1.00 0.00 N ATOM 81 CA ILE A 5 -6.433 1.977 -0.004 1.00 0.00 C ATOM 82 C ILE A 5 -7.317 1.842 -1.255 1.00 0.00 C ATOM 83 O ILE A 5 -8.519 1.601 -1.136 1.00 0.00 O ATOM 84 CB ILE A 5 -5.913 0.632 0.550 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.987 -0.043 -0.488 1.00 0.00 C ATOM 86 CG2 ILE A 5 -7.045 -0.316 0.986 1.00 0.00 C ATOM 87 CD1 ILE A 5 -4.102 -1.147 0.100 1.00 0.00 C ATOM 0 H ILE A 5 -7.614 2.193 1.730 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.537 2.514 -0.314 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.342 0.851 1.452 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.598 -0.466 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.351 0.717 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.617 -1.244 1.366 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.636 0.159 1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.685 -0.535 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.481 -1.573 -0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.464 -0.727 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.731 -1.927 0.529 1.00 0.00 H new ATOM 99 N VAL A 6 -6.743 1.998 -2.449 1.00 0.00 N ATOM 100 CA VAL A 6 -7.439 1.860 -3.741 1.00 0.00 C ATOM 101 C VAL A 6 -6.643 0.940 -4.686 1.00 0.00 C ATOM 102 O VAL A 6 -5.740 1.395 -5.397 1.00 0.00 O ATOM 103 CB VAL A 6 -7.829 3.239 -4.318 1.00 0.00 C ATOM 104 CG1 VAL A 6 -6.683 4.238 -4.517 1.00 0.00 C ATOM 105 CG2 VAL A 6 -8.594 3.092 -5.638 1.00 0.00 C ATOM 0 H VAL A 6 -5.755 2.230 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.394 1.355 -3.598 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.461 3.664 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.078 5.168 -4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.204 4.438 -3.558 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.951 3.819 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.855 4.079 -6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.968 2.576 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.504 2.516 -5.469 1.00 0.00 H new ATOM 115 N PRO A 7 -6.914 -0.380 -4.658 1.00 0.00 N ATOM 116 CA PRO A 7 -6.249 -1.356 -5.514 1.00 0.00 C ATOM 117 C PRO A 7 -6.951 -1.522 -6.872 1.00 0.00 C ATOM 118 O PRO A 7 -8.180 -1.525 -6.966 1.00 0.00 O ATOM 119 CB PRO A 7 -6.242 -2.641 -4.684 1.00 0.00 C ATOM 120 CG PRO A 7 -7.574 -2.571 -3.936 1.00 0.00 C ATOM 121 CD PRO A 7 -7.768 -1.072 -3.695 1.00 0.00 C ATOM 0 HA PRO A 7 -5.240 -1.046 -5.788 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.178 -3.528 -5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.395 -2.675 -3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.388 -2.992 -4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.538 -3.127 -2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.812 -0.790 -3.830 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.496 -0.805 -2.674 1.00 0.00 H new ATOM 129 N ALA A 8 -6.165 -1.707 -7.935 1.00 0.00 N ATOM 130 CA ALA A 8 -6.616 -1.840 -9.327 1.00 0.00 C ATOM 131 C ALA A 8 -7.220 -3.227 -9.687 1.00 0.00 C ATOM 132 O ALA A 8 -6.985 -3.747 -10.781 1.00 0.00 O ATOM 133 CB ALA A 8 -5.440 -1.437 -10.231 1.00 0.00 C ATOM 0 H ALA A 8 -5.151 -1.771 -7.848 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.463 -1.172 -9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.738 -1.523 -11.276 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.155 -0.407 -10.019 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.592 -2.095 -10.040 1.00 0.00 H new ATOM 139 N VAL A 9 -7.980 -3.844 -8.773 1.00 0.00 N ATOM 140 CA VAL A 9 -8.579 -5.193 -8.912 1.00 0.00 C ATOM 141 C VAL A 9 -10.005 -5.259 -8.352 1.00 0.00 C ATOM 142 O VAL A 9 -10.417 -4.408 -7.558 1.00 0.00 O ATOM 143 CB VAL A 9 -7.706 -6.287 -8.257 1.00 0.00 C ATOM 144 CG1 VAL A 9 -6.337 -6.416 -8.930 1.00 0.00 C ATOM 145 CG2 VAL A 9 -7.495 -6.075 -6.753 1.00 0.00 C ATOM 0 H VAL A 9 -8.208 -3.407 -7.880 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.626 -5.386 -9.984 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.271 -7.208 -8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.760 -7.197 -8.435 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.471 -6.675 -9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.804 -5.468 -8.855 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.874 -6.878 -6.356 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.001 -5.118 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.460 -6.078 -6.246 1.00 0.00 H new ATOM 155 N GLY A 10 -10.770 -6.281 -8.753 1.00 0.00 N ATOM 156 CA GLY A 10 -12.155 -6.489 -8.312 1.00 0.00 C ATOM 157 C GLY A 10 -13.070 -5.336 -8.738 1.00 0.00 C ATOM 158 O GLY A 10 -13.149 -5.000 -9.922 1.00 0.00 O ATOM 0 H GLY A 10 -10.441 -6.996 -9.401 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.532 -7.424 -8.727 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.179 -6.590 -7.227 1.00 0.00 H new ATOM 162 N GLY A 11 -13.734 -4.700 -7.766 1.00 0.00 N ATOM 163 CA GLY A 11 -14.537 -3.488 -7.983 1.00 0.00 C ATOM 164 C GLY A 11 -13.724 -2.213 -8.270 1.00 0.00 C ATOM 165 O GLY A 11 -14.299 -1.209 -8.695 1.00 0.00 O ATOM 0 H GLY A 11 -13.730 -5.015 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.215 -3.664 -8.818 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -15.155 -3.317 -7.101 1.00 0.00 H new ATOM 169 N GLY A 12 -12.402 -2.223 -8.040 1.00 0.00 N ATOM 170 CA GLY A 12 -11.480 -1.108 -8.323 1.00 0.00 C ATOM 171 C GLY A 12 -11.665 0.152 -7.457 1.00 0.00 C ATOM 172 O GLY A 12 -11.049 1.183 -7.735 1.00 0.00 O ATOM 0 H GLY A 12 -11.928 -3.033 -7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.458 -1.466 -8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.592 -0.826 -9.370 1.00 0.00 H new ATOM 176 N SER A 13 -12.529 0.094 -6.439 1.00 0.00 N ATOM 177 CA SER A 13 -12.936 1.234 -5.599 1.00 0.00 C ATOM 178 C SER A 13 -12.027 1.439 -4.372 1.00 0.00 C ATOM 179 O SER A 13 -11.426 0.474 -3.886 1.00 0.00 O ATOM 180 CB SER A 13 -14.383 1.034 -5.129 1.00 0.00 C ATOM 181 OG SER A 13 -15.278 1.061 -6.234 1.00 0.00 O ATOM 0 H SER A 13 -12.983 -0.777 -6.164 1.00 0.00 H new ATOM 0 HA SER A 13 -12.847 2.128 -6.216 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.472 0.082 -4.605 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.651 1.815 -4.418 1.00 0.00 H new ATOM 0 HG SER A 13 -16.195 0.930 -5.915 1.00 0.00 H new ATOM 187 N PRO A 14 -11.941 2.670 -3.822 1.00 0.00 N ATOM 188 CA PRO A 14 -11.291 2.925 -2.537 1.00 0.00 C ATOM 189 C PRO A 14 -12.012 2.233 -1.366 1.00 0.00 C ATOM 190 O PRO A 14 -13.236 2.060 -1.383 1.00 0.00 O ATOM 191 CB PRO A 14 -11.277 4.449 -2.373 1.00 0.00 C ATOM 192 CG PRO A 14 -12.494 4.898 -3.181 1.00 0.00 C ATOM 193 CD PRO A 14 -12.515 3.906 -4.342 1.00 0.00 C ATOM 0 HA PRO A 14 -10.282 2.512 -2.525 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.358 4.742 -1.326 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.355 4.887 -2.756 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.410 4.851 -2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.391 5.926 -3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.532 3.744 -4.699 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.936 4.281 -5.186 1.00 0.00 H new ATOM 201 N LEU A 15 -11.254 1.880 -0.327 1.00 0.00 N ATOM 202 CA LEU A 15 -11.721 1.222 0.900 1.00 0.00 C ATOM 203 C LEU A 15 -11.050 1.840 2.136 1.00 0.00 C ATOM 204 O LEU A 15 -9.823 1.904 2.223 1.00 0.00 O ATOM 205 CB LEU A 15 -11.429 -0.294 0.806 1.00 0.00 C ATOM 206 CG LEU A 15 -12.686 -1.135 0.523 1.00 0.00 C ATOM 207 CD1 LEU A 15 -12.293 -2.545 0.079 1.00 0.00 C ATOM 208 CD2 LEU A 15 -13.558 -1.257 1.777 1.00 0.00 C ATOM 0 H LEU A 15 -10.249 2.052 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.796 1.370 1.004 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.697 -0.469 0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.977 -0.629 1.740 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.245 -0.631 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -13.192 -3.128 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.693 -2.486 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.713 -3.026 0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -14.440 -1.856 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.987 -1.738 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.868 -0.264 2.103 1.00 0.00 H new ATOM 220 N GLU A 16 -11.862 2.280 3.101 1.00 0.00 N ATOM 221 CA GLU A 16 -11.400 2.812 4.390 1.00 0.00 C ATOM 222 C GLU A 16 -10.969 1.681 5.340 1.00 0.00 C ATOM 223 O GLU A 16 -11.800 0.888 5.793 1.00 0.00 O ATOM 224 CB GLU A 16 -12.504 3.646 5.063 1.00 0.00 C ATOM 225 CG GLU A 16 -12.878 4.920 4.293 1.00 0.00 C ATOM 226 CD GLU A 16 -13.983 5.723 5.010 1.00 0.00 C ATOM 227 OE1 GLU A 16 -13.925 5.886 6.255 1.00 0.00 O ATOM 228 OE2 GLU A 16 -14.915 6.216 4.329 1.00 0.00 O ATOM 0 H GLU A 16 -12.878 2.277 3.009 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.538 3.448 4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.394 3.028 5.177 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.177 3.922 6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.993 5.546 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.215 4.653 3.292 1.00 0.00 H new ATOM 235 N LEU A 17 -9.678 1.634 5.672 1.00 0.00 N ATOM 236 CA LEU A 17 -9.084 0.753 6.684 1.00 0.00 C ATOM 237 C LEU A 17 -8.523 1.575 7.860 1.00 0.00 C ATOM 238 O LEU A 17 -8.154 2.741 7.709 1.00 0.00 O ATOM 239 CB LEU A 17 -7.983 -0.122 6.042 1.00 0.00 C ATOM 240 CG LEU A 17 -8.467 -1.470 5.471 1.00 0.00 C ATOM 241 CD1 LEU A 17 -9.380 -1.344 4.250 1.00 0.00 C ATOM 242 CD2 LEU A 17 -7.257 -2.311 5.061 1.00 0.00 C ATOM 0 H LEU A 17 -8.986 2.235 5.224 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.860 0.097 7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.511 0.446 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.214 -0.317 6.790 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.048 -1.935 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.675 -2.337 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.269 -0.773 4.518 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.848 -0.831 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.597 -3.265 4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.684 -1.779 4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.626 -2.490 5.932 1.00 0.00 H new ATOM 254 N GLU A 18 -8.417 0.945 9.028 1.00 0.00 N ATOM 255 CA GLU A 18 -7.722 1.463 10.215 1.00 0.00 C ATOM 256 C GLU A 18 -6.495 0.587 10.521 1.00 0.00 C ATOM 257 O GLU A 18 -6.594 -0.644 10.517 1.00 0.00 O ATOM 258 CB GLU A 18 -8.712 1.536 11.391 1.00 0.00 C ATOM 259 CG GLU A 18 -8.069 1.998 12.709 1.00 0.00 C ATOM 260 CD GLU A 18 -9.100 2.151 13.847 1.00 0.00 C ATOM 261 OE1 GLU A 18 -10.163 2.786 13.644 1.00 0.00 O ATOM 262 OE2 GLU A 18 -8.845 1.646 14.968 1.00 0.00 O ATOM 0 H GLU A 18 -8.827 0.024 9.184 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.354 2.473 10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.521 2.219 11.132 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.160 0.553 11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.306 1.280 13.009 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.565 2.951 12.549 1.00 0.00 H new ATOM 269 N VAL A 19 -5.339 1.211 10.778 1.00 0.00 N ATOM 270 CA VAL A 19 -4.041 0.530 10.978 1.00 0.00 C ATOM 271 C VAL A 19 -3.232 1.157 12.120 1.00 0.00 C ATOM 272 O VAL A 19 -3.416 2.326 12.464 1.00 0.00 O ATOM 273 CB VAL A 19 -3.198 0.485 9.680 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.908 -0.263 8.544 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.787 1.871 9.165 1.00 0.00 C ATOM 0 H VAL A 19 -5.272 2.226 10.856 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.279 -0.496 11.258 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.297 -0.057 9.969 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.274 -0.265 7.658 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.105 -1.290 8.852 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.851 0.234 8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.199 1.761 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.679 2.460 8.952 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.190 2.378 9.923 1.00 0.00 H new ATOM 285 N ALA A 20 -2.316 0.378 12.703 1.00 0.00 N ATOM 286 CA ALA A 20 -1.371 0.850 13.719 1.00 0.00 C ATOM 287 C ALA A 20 -0.353 1.863 13.136 1.00 0.00 C ATOM 288 O ALA A 20 0.037 1.733 11.969 1.00 0.00 O ATOM 289 CB ALA A 20 -0.664 -0.374 14.320 1.00 0.00 C ATOM 0 H ALA A 20 -2.209 -0.611 12.479 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.914 1.385 14.498 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.046 -0.047 15.080 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.403 -1.035 14.773 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.132 -0.910 13.534 1.00 0.00 H new ATOM 295 N PRO A 21 0.145 2.837 13.927 1.00 0.00 N ATOM 296 CA PRO A 21 1.140 3.813 13.462 1.00 0.00 C ATOM 297 C PRO A 21 2.491 3.170 13.098 1.00 0.00 C ATOM 298 O PRO A 21 3.210 3.686 12.242 1.00 0.00 O ATOM 299 CB PRO A 21 1.280 4.818 14.613 1.00 0.00 C ATOM 300 CG PRO A 21 0.897 4.011 15.854 1.00 0.00 C ATOM 301 CD PRO A 21 -0.191 3.079 15.325 1.00 0.00 C ATOM 0 HA PRO A 21 0.815 4.289 12.537 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.297 5.204 14.685 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.623 5.677 14.476 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.746 3.457 16.254 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.528 4.651 16.655 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.217 2.147 15.889 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.177 3.535 15.418 1.00 0.00 H new ATOM 309 N ASN A 22 2.817 2.022 13.705 1.00 0.00 N ATOM 310 CA ASN A 22 4.022 1.225 13.442 1.00 0.00 C ATOM 311 C ASN A 22 3.913 0.283 12.219 1.00 0.00 C ATOM 312 O ASN A 22 4.761 -0.595 12.050 1.00 0.00 O ATOM 313 CB ASN A 22 4.408 0.476 14.735 1.00 0.00 C ATOM 314 CG ASN A 22 4.841 1.420 15.845 1.00 0.00 C ATOM 315 OD1 ASN A 22 5.777 2.195 15.706 1.00 0.00 O ATOM 316 ND2 ASN A 22 4.184 1.394 16.984 1.00 0.00 N ATOM 0 H ASN A 22 2.224 1.606 14.423 1.00 0.00 H new ATOM 0 HA ASN A 22 4.820 1.912 13.160 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.559 -0.116 15.076 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.217 -0.222 14.519 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.456 2.017 17.744 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.402 0.750 17.107 1.00 0.00 H new ATOM 323 N ALA A 23 2.894 0.435 11.361 1.00 0.00 N ATOM 324 CA ALA A 23 2.768 -0.324 10.112 1.00 0.00 C ATOM 325 C ALA A 23 3.979 -0.076 9.185 1.00 0.00 C ATOM 326 O ALA A 23 4.191 1.043 8.705 1.00 0.00 O ATOM 327 CB ALA A 23 1.444 0.056 9.434 1.00 0.00 C ATOM 0 H ALA A 23 2.130 1.093 11.517 1.00 0.00 H new ATOM 0 HA ALA A 23 2.760 -1.392 10.331 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.338 -0.502 8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.613 -0.184 10.098 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.439 1.125 9.219 1.00 0.00 H new ATOM 333 N THR A 24 4.790 -1.113 8.947 1.00 0.00 N ATOM 334 CA THR A 24 6.008 -1.030 8.121 1.00 0.00 C ATOM 335 C THR A 24 5.692 -1.213 6.633 1.00 0.00 C ATOM 336 O THR A 24 4.722 -1.885 6.266 1.00 0.00 O ATOM 337 CB THR A 24 7.118 -2.009 8.568 1.00 0.00 C ATOM 338 OG1 THR A 24 6.979 -3.277 7.965 1.00 0.00 O ATOM 339 CG2 THR A 24 7.176 -2.255 10.078 1.00 0.00 C ATOM 0 H THR A 24 4.621 -2.045 9.325 1.00 0.00 H new ATOM 0 HA THR A 24 6.399 -0.024 8.272 1.00 0.00 H new ATOM 0 HB THR A 24 8.033 -1.508 8.251 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.726 -3.430 7.350 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.982 -2.953 10.302 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.358 -1.312 10.594 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.228 -2.675 10.415 1.00 0.00 H new ATOM 347 N VAL A 25 6.528 -0.652 5.752 1.00 0.00 N ATOM 348 CA VAL A 25 6.392 -0.855 4.296 1.00 0.00 C ATOM 349 C VAL A 25 6.596 -2.328 3.928 1.00 0.00 C ATOM 350 O VAL A 25 5.830 -2.873 3.135 1.00 0.00 O ATOM 351 CB VAL A 25 7.371 0.031 3.505 1.00 0.00 C ATOM 352 CG1 VAL A 25 7.230 -0.193 1.996 1.00 0.00 C ATOM 353 CG2 VAL A 25 7.138 1.521 3.779 1.00 0.00 C ATOM 0 H VAL A 25 7.309 -0.052 6.018 1.00 0.00 H new ATOM 0 HA VAL A 25 5.378 -0.563 4.023 1.00 0.00 H new ATOM 0 HB VAL A 25 8.370 -0.253 3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.935 0.447 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.441 -1.237 1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.214 0.051 1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.849 2.113 3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.122 1.790 3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.277 1.722 4.841 1.00 0.00 H new ATOM 363 N GLY A 26 7.587 -2.993 4.533 1.00 0.00 N ATOM 364 CA GLY A 26 7.900 -4.403 4.274 1.00 0.00 C ATOM 365 C GLY A 26 6.757 -5.353 4.643 1.00 0.00 C ATOM 366 O GLY A 26 6.463 -6.279 3.884 1.00 0.00 O ATOM 0 H GLY A 26 8.201 -2.562 5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.140 -4.527 3.218 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.791 -4.680 4.838 1.00 0.00 H new ATOM 370 N ALA A 27 6.057 -5.091 5.751 1.00 0.00 N ATOM 371 CA ALA A 27 4.879 -5.856 6.160 1.00 0.00 C ATOM 372 C ALA A 27 3.737 -5.733 5.138 1.00 0.00 C ATOM 373 O ALA A 27 3.180 -6.749 4.720 1.00 0.00 O ATOM 374 CB ALA A 27 4.444 -5.386 7.554 1.00 0.00 C ATOM 0 H ALA A 27 6.295 -4.335 6.393 1.00 0.00 H new ATOM 0 HA ALA A 27 5.136 -6.914 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.566 -5.949 7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.255 -5.550 8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.201 -4.324 7.521 1.00 0.00 H new ATOM 380 N VAL A 28 3.428 -4.510 4.685 1.00 0.00 N ATOM 381 CA VAL A 28 2.395 -4.255 3.662 1.00 0.00 C ATOM 382 C VAL A 28 2.779 -4.874 2.314 1.00 0.00 C ATOM 383 O VAL A 28 1.975 -5.593 1.724 1.00 0.00 O ATOM 384 CB VAL A 28 2.103 -2.745 3.530 1.00 0.00 C ATOM 385 CG1 VAL A 28 1.104 -2.439 2.404 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.504 -2.184 4.828 1.00 0.00 C ATOM 0 H VAL A 28 3.888 -3.663 5.018 1.00 0.00 H new ATOM 0 HA VAL A 28 1.476 -4.740 3.991 1.00 0.00 H new ATOM 0 HB VAL A 28 3.063 -2.279 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.932 -1.364 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.509 -2.788 1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.161 -2.948 2.606 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.308 -1.119 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.571 -2.702 5.052 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.207 -2.333 5.647 1.00 0.00 H new ATOM 396 N ARG A 29 4.023 -4.676 1.852 1.00 0.00 N ATOM 397 CA ARG A 29 4.562 -5.252 0.605 1.00 0.00 C ATOM 398 C ARG A 29 4.467 -6.780 0.600 1.00 0.00 C ATOM 399 O ARG A 29 4.037 -7.363 -0.396 1.00 0.00 O ATOM 400 CB ARG A 29 6.018 -4.776 0.441 1.00 0.00 C ATOM 401 CG ARG A 29 6.641 -5.121 -0.923 1.00 0.00 C ATOM 402 CD ARG A 29 8.136 -4.778 -0.906 1.00 0.00 C ATOM 403 NE ARG A 29 8.754 -4.931 -2.241 1.00 0.00 N ATOM 404 CZ ARG A 29 9.923 -5.481 -2.530 1.00 0.00 C ATOM 405 NH1 ARG A 29 10.661 -6.074 -1.635 1.00 0.00 N ATOM 406 NH2 ARG A 29 10.389 -5.436 -3.745 1.00 0.00 N ATOM 0 H ARG A 29 4.701 -4.096 2.346 1.00 0.00 H new ATOM 0 HA ARG A 29 3.966 -4.908 -0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.054 -3.696 0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.626 -5.221 1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.503 -6.180 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.139 -4.565 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.269 -3.753 -0.560 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.648 -5.424 -0.193 1.00 0.00 H new ATOM 0 HE ARG A 29 8.217 -4.571 -3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.344 -6.128 -0.667 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.556 -6.484 -1.902 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.853 -4.975 -4.480 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.290 -5.862 -3.962 1.00 0.00 H new ATOM 420 N THR A 30 4.803 -7.420 1.722 1.00 0.00 N ATOM 421 CA THR A 30 4.690 -8.880 1.896 1.00 0.00 C ATOM 422 C THR A 30 3.230 -9.336 1.862 1.00 0.00 C ATOM 423 O THR A 30 2.909 -10.284 1.143 1.00 0.00 O ATOM 424 CB THR A 30 5.370 -9.342 3.197 1.00 0.00 C ATOM 425 OG1 THR A 30 6.742 -9.004 3.176 1.00 0.00 O ATOM 426 CG2 THR A 30 5.301 -10.853 3.405 1.00 0.00 C ATOM 0 H THR A 30 5.165 -6.940 2.546 1.00 0.00 H new ATOM 0 HA THR A 30 5.208 -9.346 1.058 1.00 0.00 H new ATOM 0 HB THR A 30 4.832 -8.841 4.002 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.852 -8.065 3.436 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.798 -11.115 4.339 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.258 -11.167 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.798 -11.357 2.576 1.00 0.00 H new ATOM 434 N LYS A 31 2.324 -8.632 2.562 1.00 0.00 N ATOM 435 CA LYS A 31 0.877 -8.924 2.564 1.00 0.00 C ATOM 436 C LYS A 31 0.284 -8.850 1.155 1.00 0.00 C ATOM 437 O LYS A 31 -0.416 -9.765 0.727 1.00 0.00 O ATOM 438 CB LYS A 31 0.136 -7.949 3.512 1.00 0.00 C ATOM 439 CG LYS A 31 -0.865 -8.644 4.456 1.00 0.00 C ATOM 440 CD LYS A 31 -0.556 -8.396 5.942 1.00 0.00 C ATOM 441 CE LYS A 31 0.806 -8.977 6.353 1.00 0.00 C ATOM 442 NZ LYS A 31 1.071 -8.769 7.801 1.00 0.00 N ATOM 0 H LYS A 31 2.576 -7.836 3.148 1.00 0.00 H new ATOM 0 HA LYS A 31 0.744 -9.944 2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.870 -7.409 4.109 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.396 -7.209 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.872 -8.289 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.855 -9.717 4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.567 -7.324 6.140 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.340 -8.842 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.832 -10.043 6.127 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.595 -8.507 5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.998 -9.173 8.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.070 -7.750 8.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.330 -9.238 8.360 1.00 0.00 H new ATOM 456 N VAL A 32 0.622 -7.789 0.422 1.00 0.00 N ATOM 457 CA VAL A 32 0.202 -7.549 -0.966 1.00 0.00 C ATOM 458 C VAL A 32 0.723 -8.644 -1.900 1.00 0.00 C ATOM 459 O VAL A 32 -0.074 -9.264 -2.601 1.00 0.00 O ATOM 460 CB VAL A 32 0.645 -6.139 -1.411 1.00 0.00 C ATOM 461 CG1 VAL A 32 0.531 -5.914 -2.923 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.216 -5.079 -0.707 1.00 0.00 C ATOM 0 H VAL A 32 1.216 -7.045 0.788 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.886 -7.591 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 32 1.696 -6.051 -1.137 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.858 -4.903 -3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.159 -6.635 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.506 -6.044 -3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.100 -4.085 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.263 -5.228 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.096 -5.171 0.372 1.00 0.00 H new ATOM 472 N CYS A 33 2.025 -8.944 -1.877 1.00 0.00 N ATOM 473 CA CYS A 33 2.625 -9.978 -2.725 1.00 0.00 C ATOM 474 C CYS A 33 2.023 -11.374 -2.462 1.00 0.00 C ATOM 475 O CYS A 33 1.661 -12.081 -3.406 1.00 0.00 O ATOM 476 CB CYS A 33 4.146 -9.937 -2.515 1.00 0.00 C ATOM 477 SG CYS A 33 4.979 -11.172 -3.556 1.00 0.00 S ATOM 0 H CYS A 33 2.695 -8.475 -1.267 1.00 0.00 H new ATOM 0 HA CYS A 33 2.400 -9.774 -3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.523 -8.942 -2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.377 -10.124 -1.466 1.00 0.00 H new ATOM 0 HG CYS A 33 4.482 -11.134 -4.757 1.00 0.00 H new ATOM 483 N ALA A 34 1.827 -11.742 -1.190 1.00 0.00 N ATOM 484 CA ALA A 34 1.200 -13.005 -0.799 1.00 0.00 C ATOM 485 C ALA A 34 -0.276 -13.102 -1.239 1.00 0.00 C ATOM 486 O ALA A 34 -0.690 -14.131 -1.775 1.00 0.00 O ATOM 487 CB ALA A 34 1.341 -13.164 0.721 1.00 0.00 C ATOM 0 H ALA A 34 2.103 -11.163 -0.397 1.00 0.00 H new ATOM 0 HA ALA A 34 1.710 -13.820 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.879 -14.101 1.033 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.397 -13.173 0.989 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.847 -12.331 1.221 1.00 0.00 H new ATOM 493 N MET A 35 -1.058 -12.029 -1.062 1.00 0.00 N ATOM 494 CA MET A 35 -2.479 -11.973 -1.436 1.00 0.00 C ATOM 495 C MET A 35 -2.696 -11.958 -2.961 1.00 0.00 C ATOM 496 O MET A 35 -3.638 -12.577 -3.461 1.00 0.00 O ATOM 497 CB MET A 35 -3.111 -10.744 -0.761 1.00 0.00 C ATOM 498 CG MET A 35 -4.631 -10.665 -0.942 1.00 0.00 C ATOM 499 SD MET A 35 -5.391 -9.288 -0.040 1.00 0.00 S ATOM 500 CE MET A 35 -7.143 -9.695 -0.277 1.00 0.00 C ATOM 0 H MET A 35 -0.717 -11.161 -0.648 1.00 0.00 H new ATOM 0 HA MET A 35 -2.968 -12.882 -1.086 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.880 -10.765 0.304 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.657 -9.841 -1.168 1.00 0.00 H new ATOM 0 HG2 MET A 35 -4.859 -10.565 -2.003 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.079 -11.601 -0.607 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.761 -8.945 0.217 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.372 -9.709 -1.343 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.350 -10.676 0.152 1.00 0.00 H new ATOM 510 N LYS A 36 -1.818 -11.278 -3.711 1.00 0.00 N ATOM 511 CA LYS A 36 -1.830 -11.215 -5.187 1.00 0.00 C ATOM 512 C LYS A 36 -1.255 -12.469 -5.863 1.00 0.00 C ATOM 513 O LYS A 36 -1.532 -12.684 -7.042 1.00 0.00 O ATOM 514 CB LYS A 36 -1.043 -9.969 -5.643 1.00 0.00 C ATOM 515 CG LYS A 36 -1.678 -8.624 -5.238 1.00 0.00 C ATOM 516 CD LYS A 36 -2.561 -7.986 -6.324 1.00 0.00 C ATOM 517 CE LYS A 36 -3.792 -8.817 -6.717 1.00 0.00 C ATOM 518 NZ LYS A 36 -4.776 -8.933 -5.605 1.00 0.00 N ATOM 0 H LYS A 36 -1.056 -10.739 -3.300 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.874 -11.155 -5.495 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.036 -10.020 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.943 -9.996 -6.728 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.278 -8.775 -4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.884 -7.925 -4.976 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.895 -7.009 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.954 -7.816 -7.214 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.275 -8.360 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.472 -9.814 -7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.588 -9.502 -5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.325 -9.393 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.103 -7.985 -5.330 1.00 0.00 H new ATOM 532 N LYS A 37 -0.450 -13.266 -5.144 1.00 0.00 N ATOM 533 CA LYS A 37 0.335 -14.420 -5.646 1.00 0.00 C ATOM 534 C LYS A 37 1.319 -14.059 -6.781 1.00 0.00 C ATOM 535 O LYS A 37 1.757 -14.937 -7.527 1.00 0.00 O ATOM 536 CB LYS A 37 -0.602 -15.601 -6.006 1.00 0.00 C ATOM 537 CG LYS A 37 -1.445 -16.151 -4.836 1.00 0.00 C ATOM 538 CD LYS A 37 -0.869 -17.422 -4.189 1.00 0.00 C ATOM 539 CE LYS A 37 0.519 -17.210 -3.571 1.00 0.00 C ATOM 540 NZ LYS A 37 1.036 -18.465 -2.964 1.00 0.00 N ATOM 0 H LYS A 37 -0.317 -13.121 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 37 0.980 -14.744 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.277 -15.280 -6.799 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.002 -16.413 -6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.536 -15.378 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.451 -16.364 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.554 -17.771 -3.416 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.809 -18.209 -4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.212 -16.862 -4.337 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.466 -16.430 -2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.976 -18.291 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.386 -18.783 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.108 -19.200 -3.696 1.00 0.00 H new ATOM 554 N LEU A 38 1.670 -12.774 -6.912 1.00 0.00 N ATOM 555 CA LEU A 38 2.412 -12.173 -8.033 1.00 0.00 C ATOM 556 C LEU A 38 3.617 -11.345 -7.520 1.00 0.00 C ATOM 557 O LEU A 38 3.519 -10.729 -6.453 1.00 0.00 O ATOM 558 CB LEU A 38 1.443 -11.299 -8.867 1.00 0.00 C ATOM 559 CG LEU A 38 1.024 -11.878 -10.234 1.00 0.00 C ATOM 560 CD1 LEU A 38 0.351 -13.248 -10.154 1.00 0.00 C ATOM 561 CD2 LEU A 38 0.040 -10.921 -10.911 1.00 0.00 C ATOM 0 H LEU A 38 1.431 -12.084 -6.199 1.00 0.00 H new ATOM 0 HA LEU A 38 2.815 -12.963 -8.667 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.543 -11.123 -8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.910 -10.328 -9.033 1.00 0.00 H new ATOM 0 HG LEU A 38 1.948 -11.997 -10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.088 -13.583 -11.157 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.036 -13.964 -9.700 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.552 -13.175 -9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.257 -11.328 -11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.842 -10.800 -10.281 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.517 -9.952 -11.057 1.00 0.00 H new ATOM 573 N PRO A 39 4.747 -11.315 -8.256 1.00 0.00 N ATOM 574 CA PRO A 39 5.986 -10.669 -7.814 1.00 0.00 C ATOM 575 C PRO A 39 5.928 -9.124 -7.838 1.00 0.00 C ATOM 576 O PRO A 39 5.123 -8.535 -8.569 1.00 0.00 O ATOM 577 CB PRO A 39 7.077 -11.219 -8.743 1.00 0.00 C ATOM 578 CG PRO A 39 6.327 -11.527 -10.036 1.00 0.00 C ATOM 579 CD PRO A 39 4.962 -11.989 -9.532 1.00 0.00 C ATOM 0 HA PRO A 39 6.182 -10.896 -6.766 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.871 -10.490 -8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.544 -12.112 -8.328 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.246 -10.648 -10.676 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.826 -12.301 -10.619 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.178 -11.733 -10.244 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.939 -13.072 -9.409 1.00 0.00 H new ATOM 587 N PRO A 40 6.824 -8.440 -7.097 1.00 0.00 N ATOM 588 CA PRO A 40 6.877 -6.974 -7.018 1.00 0.00 C ATOM 589 C PRO A 40 7.340 -6.268 -8.312 1.00 0.00 C ATOM 590 O PRO A 40 7.333 -5.037 -8.388 1.00 0.00 O ATOM 591 CB PRO A 40 7.814 -6.674 -5.842 1.00 0.00 C ATOM 592 CG PRO A 40 8.761 -7.870 -5.832 1.00 0.00 C ATOM 593 CD PRO A 40 7.836 -9.021 -6.219 1.00 0.00 C ATOM 0 HA PRO A 40 5.872 -6.577 -6.875 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.352 -5.737 -5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.266 -6.587 -4.904 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.578 -7.748 -6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.212 -8.023 -4.852 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.387 -9.812 -6.728 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.378 -9.468 -5.337 1.00 0.00 H new ATOM 601 N ASP A 41 7.752 -7.015 -9.344 1.00 0.00 N ATOM 602 CA ASP A 41 8.008 -6.474 -10.685 1.00 0.00 C ATOM 603 C ASP A 41 6.698 -6.083 -11.403 1.00 0.00 C ATOM 604 O ASP A 41 6.615 -5.031 -12.043 1.00 0.00 O ATOM 605 CB ASP A 41 8.796 -7.519 -11.494 1.00 0.00 C ATOM 606 CG ASP A 41 9.356 -6.989 -12.828 1.00 0.00 C ATOM 607 OD1 ASP A 41 9.662 -5.778 -12.945 1.00 0.00 O ATOM 608 OD2 ASP A 41 9.537 -7.806 -13.762 1.00 0.00 O ATOM 0 H ASP A 41 7.918 -8.019 -9.271 1.00 0.00 H new ATOM 0 HA ASP A 41 8.595 -5.560 -10.596 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.622 -7.886 -10.886 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.147 -8.371 -11.697 1.00 0.00 H new ATOM 613 N THR A 42 5.639 -6.893 -11.259 1.00 0.00 N ATOM 614 CA THR A 42 4.296 -6.559 -11.766 1.00 0.00 C ATOM 615 C THR A 42 3.495 -5.717 -10.767 1.00 0.00 C ATOM 616 O THR A 42 2.980 -4.661 -11.149 1.00 0.00 O ATOM 617 CB THR A 42 3.520 -7.796 -12.250 1.00 0.00 C ATOM 618 OG1 THR A 42 2.225 -7.385 -12.605 1.00 0.00 O ATOM 619 CG2 THR A 42 3.361 -8.933 -11.246 1.00 0.00 C ATOM 0 H THR A 42 5.687 -7.797 -10.789 1.00 0.00 H new ATOM 0 HA THR A 42 4.446 -5.936 -12.648 1.00 0.00 H new ATOM 0 HB THR A 42 4.115 -8.196 -13.071 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.859 -7.999 -13.275 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.798 -9.746 -11.703 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.345 -9.296 -10.948 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.827 -8.571 -10.368 1.00 0.00 H new ATOM 627 N THR A 43 3.425 -6.122 -9.495 1.00 0.00 N ATOM 628 CA THR A 43 2.615 -5.442 -8.470 1.00 0.00 C ATOM 629 C THR A 43 3.406 -4.350 -7.741 1.00 0.00 C ATOM 630 O THR A 43 4.467 -4.634 -7.185 1.00 0.00 O ATOM 631 CB THR A 43 2.053 -6.445 -7.453 1.00 0.00 C ATOM 632 OG1 THR A 43 1.295 -7.438 -8.112 1.00 0.00 O ATOM 633 CG2 THR A 43 1.116 -5.780 -6.445 1.00 0.00 C ATOM 0 H THR A 43 3.930 -6.935 -9.142 1.00 0.00 H new ATOM 0 HA THR A 43 1.786 -4.965 -8.994 1.00 0.00 H new ATOM 0 HB THR A 43 2.914 -6.869 -6.937 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.944 -8.072 -7.453 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.743 -6.529 -5.746 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.659 -5.010 -5.897 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.277 -5.326 -6.973 1.00 0.00 H new ATOM 641 N ARG A 44 2.880 -3.120 -7.675 1.00 0.00 N ATOM 642 CA ARG A 44 3.496 -1.975 -6.965 1.00 0.00 C ATOM 643 C ARG A 44 2.480 -1.101 -6.219 1.00 0.00 C ATOM 644 O ARG A 44 1.276 -1.175 -6.458 1.00 0.00 O ATOM 645 CB ARG A 44 4.371 -1.144 -7.929 1.00 0.00 C ATOM 646 CG ARG A 44 5.737 -1.808 -8.171 1.00 0.00 C ATOM 647 CD ARG A 44 6.725 -0.842 -8.830 1.00 0.00 C ATOM 648 NE ARG A 44 8.090 -1.407 -8.833 1.00 0.00 N ATOM 649 CZ ARG A 44 9.228 -0.734 -8.804 1.00 0.00 C ATOM 650 NH1 ARG A 44 9.271 0.569 -8.826 1.00 0.00 N ATOM 651 NH2 ARG A 44 10.365 -1.366 -8.747 1.00 0.00 N ATOM 0 H ARG A 44 1.995 -2.881 -8.121 1.00 0.00 H new ATOM 0 HA ARG A 44 4.138 -2.395 -6.191 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.851 -1.023 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.519 -0.146 -7.517 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.146 -2.156 -7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.608 -2.686 -8.804 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.410 -0.635 -9.853 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.721 0.109 -8.297 1.00 0.00 H new ATOM 0 HE ARG A 44 8.162 -2.424 -8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.406 1.107 -8.867 1.00 0.00 H new ATOM 0 HH12 ARG A 44 10.170 1.050 -8.802 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.381 -2.386 -8.724 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.240 -0.841 -8.725 1.00 0.00 H new ATOM 665 N LEU A 45 2.990 -0.282 -5.298 1.00 0.00 N ATOM 666 CA LEU A 45 2.240 0.505 -4.312 1.00 0.00 C ATOM 667 C LEU A 45 2.861 1.905 -4.149 1.00 0.00 C ATOM 668 O LEU A 45 4.084 2.029 -4.052 1.00 0.00 O ATOM 669 CB LEU A 45 2.251 -0.296 -2.995 1.00 0.00 C ATOM 670 CG LEU A 45 1.587 0.380 -1.782 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.086 0.561 -1.992 1.00 0.00 C ATOM 672 CD2 LEU A 45 1.784 -0.493 -0.545 1.00 0.00 C ATOM 0 H LEU A 45 3.997 -0.140 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 45 1.212 0.669 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.754 -1.250 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.287 -0.519 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 45 2.051 1.358 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.349 1.041 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.086 1.184 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.381 -0.413 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.315 -0.016 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.329 -1.469 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.850 -0.618 -0.354 1.00 0.00 H new ATOM 684 N THR A 46 2.032 2.953 -4.095 1.00 0.00 N ATOM 685 CA THR A 46 2.468 4.362 -3.978 1.00 0.00 C ATOM 686 C THR A 46 1.587 5.188 -3.030 1.00 0.00 C ATOM 687 O THR A 46 0.415 4.873 -2.801 1.00 0.00 O ATOM 688 CB THR A 46 2.540 5.063 -5.350 1.00 0.00 C ATOM 689 OG1 THR A 46 1.275 5.107 -5.975 1.00 0.00 O ATOM 690 CG2 THR A 46 3.524 4.416 -6.327 1.00 0.00 C ATOM 0 H THR A 46 1.018 2.851 -4.132 1.00 0.00 H new ATOM 0 HA THR A 46 3.469 4.313 -3.550 1.00 0.00 H new ATOM 0 HB THR A 46 2.896 6.068 -5.122 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.354 5.559 -6.841 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.517 4.966 -7.268 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.527 4.438 -5.901 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.230 3.382 -6.509 1.00 0.00 H new ATOM 698 N TYR A 47 2.164 6.262 -2.485 1.00 0.00 N ATOM 699 CA TYR A 47 1.529 7.237 -1.586 1.00 0.00 C ATOM 700 C TYR A 47 2.175 8.620 -1.777 1.00 0.00 C ATOM 701 O TYR A 47 3.390 8.715 -1.957 1.00 0.00 O ATOM 702 CB TYR A 47 1.634 6.740 -0.130 1.00 0.00 C ATOM 703 CG TYR A 47 1.517 7.795 0.965 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.377 8.619 1.052 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.558 7.954 1.901 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.289 9.613 2.045 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.479 8.950 2.895 1.00 0.00 C ATOM 708 CZ TYR A 47 1.345 9.788 2.964 1.00 0.00 C ATOM 709 OH TYR A 47 1.269 10.773 3.899 1.00 0.00 O ATOM 0 H TYR A 47 3.141 6.490 -2.668 1.00 0.00 H new ATOM 0 HA TYR A 47 0.470 7.336 -1.826 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.856 5.994 0.032 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.591 6.232 -0.012 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.435 8.487 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.422 7.308 1.856 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.587 10.242 2.103 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.285 9.072 3.603 1.00 0.00 H new ATOM 0 HH TYR A 47 2.076 10.759 4.455 1.00 0.00 H new ATOM 719 N LYS A 48 1.373 9.696 -1.771 1.00 0.00 N ATOM 720 CA LYS A 48 1.825 11.099 -1.922 1.00 0.00 C ATOM 721 C LYS A 48 2.650 11.359 -3.205 1.00 0.00 C ATOM 722 O LYS A 48 3.546 12.205 -3.228 1.00 0.00 O ATOM 723 CB LYS A 48 2.538 11.537 -0.620 1.00 0.00 C ATOM 724 CG LYS A 48 2.488 13.052 -0.341 1.00 0.00 C ATOM 725 CD LYS A 48 1.395 13.470 0.656 1.00 0.00 C ATOM 726 CE LYS A 48 -0.024 13.152 0.170 1.00 0.00 C ATOM 727 NZ LYS A 48 -1.048 13.643 1.130 1.00 0.00 N ATOM 0 H LYS A 48 0.362 9.618 -1.658 1.00 0.00 H new ATOM 0 HA LYS A 48 0.948 11.730 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.086 11.011 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.581 11.224 -0.669 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.457 13.372 0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.328 13.579 -1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.568 12.965 1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.475 14.541 0.845 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.188 13.610 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.133 12.075 0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.997 13.413 0.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.905 13.186 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.959 14.674 1.236 1.00 0.00 H new ATOM 741 N GLY A 49 2.378 10.599 -4.272 1.00 0.00 N ATOM 742 CA GLY A 49 3.122 10.637 -5.542 1.00 0.00 C ATOM 743 C GLY A 49 4.526 10.004 -5.493 1.00 0.00 C ATOM 744 O GLY A 49 5.320 10.213 -6.414 1.00 0.00 O ATOM 0 H GLY A 49 1.615 9.922 -4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.535 10.125 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.219 11.676 -5.858 1.00 0.00 H new ATOM 748 N ARG A 50 4.846 9.251 -4.431 1.00 0.00 N ATOM 749 CA ARG A 50 6.154 8.631 -4.151 1.00 0.00 C ATOM 750 C ARG A 50 6.049 7.113 -3.969 1.00 0.00 C ATOM 751 O ARG A 50 5.027 6.588 -3.519 1.00 0.00 O ATOM 752 CB ARG A 50 6.754 9.286 -2.887 1.00 0.00 C ATOM 753 CG ARG A 50 7.438 10.636 -3.165 1.00 0.00 C ATOM 754 CD ARG A 50 8.897 10.474 -3.623 1.00 0.00 C ATOM 755 NE ARG A 50 9.773 10.027 -2.517 1.00 0.00 N ATOM 756 CZ ARG A 50 10.372 10.788 -1.614 1.00 0.00 C ATOM 757 NH1 ARG A 50 10.291 12.090 -1.633 1.00 0.00 N ATOM 758 NH2 ARG A 50 11.071 10.248 -0.658 1.00 0.00 N ATOM 0 H ARG A 50 4.163 9.045 -3.702 1.00 0.00 H new ATOM 0 HA ARG A 50 6.805 8.799 -5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.962 9.433 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.479 8.604 -2.443 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.878 11.173 -3.931 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.410 11.247 -2.263 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.944 9.752 -4.439 1.00 0.00 H new ATOM 0 HD3 ARG A 50 9.262 11.423 -4.016 1.00 0.00 H new ATOM 0 HE ARG A 50 9.933 9.022 -2.442 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.751 12.557 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 50 10.767 12.641 -0.919 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.160 9.233 -0.602 1.00 0.00 H new ATOM 0 HH22 ARG A 50 11.530 10.839 0.035 1.00 0.00 H new ATOM 772 N ALA A 51 7.145 6.419 -4.273 1.00 0.00 N ATOM 773 CA ALA A 51 7.401 5.059 -3.803 1.00 0.00 C ATOM 774 C ALA A 51 8.017 5.105 -2.391 1.00 0.00 C ATOM 775 O ALA A 51 9.047 5.752 -2.174 1.00 0.00 O ATOM 776 CB ALA A 51 8.318 4.351 -4.809 1.00 0.00 C ATOM 0 H ALA A 51 7.890 6.791 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 51 6.471 4.495 -3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.516 3.335 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.832 4.319 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.258 4.896 -4.890 1.00 0.00 H new ATOM 782 N LEU A 52 7.386 4.426 -1.433 1.00 0.00 N ATOM 783 CA LEU A 52 7.874 4.264 -0.056 1.00 0.00 C ATOM 784 C LEU A 52 8.694 2.965 0.047 1.00 0.00 C ATOM 785 O LEU A 52 8.278 1.938 -0.498 1.00 0.00 O ATOM 786 CB LEU A 52 6.665 4.254 0.909 1.00 0.00 C ATOM 787 CG LEU A 52 6.085 5.624 1.330 1.00 0.00 C ATOM 788 CD1 LEU A 52 6.993 6.322 2.342 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.817 6.587 0.171 1.00 0.00 C ATOM 0 H LEU A 52 6.494 3.958 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 52 8.525 5.093 0.220 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.866 3.678 0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.958 3.719 1.812 1.00 0.00 H new ATOM 0 HG LEU A 52 5.121 5.381 1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.559 7.283 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.093 5.699 3.231 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.976 6.483 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.412 7.521 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.749 6.788 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.099 6.139 -0.516 1.00 0.00 H new ATOM 801 N LYS A 53 9.843 2.999 0.741 1.00 0.00 N ATOM 802 CA LYS A 53 10.688 1.824 1.060 1.00 0.00 C ATOM 803 C LYS A 53 11.708 2.131 2.168 1.00 0.00 C ATOM 804 O LYS A 53 12.198 3.256 2.261 1.00 0.00 O ATOM 805 CB LYS A 53 11.402 1.325 -0.217 1.00 0.00 C ATOM 806 CG LYS A 53 11.749 -0.172 -0.126 1.00 0.00 C ATOM 807 CD LYS A 53 12.344 -0.739 -1.423 1.00 0.00 C ATOM 808 CE LYS A 53 11.317 -0.777 -2.564 1.00 0.00 C ATOM 809 NZ LYS A 53 11.898 -1.365 -3.800 1.00 0.00 N ATOM 0 H LYS A 53 10.226 3.869 1.110 1.00 0.00 H new ATOM 0 HA LYS A 53 10.035 1.037 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.763 1.499 -1.083 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.314 1.901 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.458 -0.324 0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.849 -0.732 0.127 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.198 -0.132 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.718 -1.746 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.450 -1.360 -2.255 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.964 0.233 -2.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.178 -1.376 -4.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.711 -0.793 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.212 -2.338 -3.607 1.00 0.00 H new ATOM 823 N ASP A 54 12.043 1.129 2.989 1.00 0.00 N ATOM 824 CA ASP A 54 13.072 1.179 4.052 1.00 0.00 C ATOM 825 C ASP A 54 12.885 2.300 5.105 1.00 0.00 C ATOM 826 O ASP A 54 13.850 2.785 5.703 1.00 0.00 O ATOM 827 CB ASP A 54 14.493 1.145 3.446 1.00 0.00 C ATOM 828 CG ASP A 54 14.782 -0.066 2.539 1.00 0.00 C ATOM 829 OD1 ASP A 54 14.177 -1.149 2.728 1.00 0.00 O ATOM 830 OD2 ASP A 54 15.660 0.053 1.651 1.00 0.00 O ATOM 0 H ASP A 54 11.588 0.218 2.934 1.00 0.00 H new ATOM 0 HA ASP A 54 12.931 0.271 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.649 2.057 2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.219 1.153 4.259 1.00 0.00 H new ATOM 835 N THR A 55 11.641 2.737 5.334 1.00 0.00 N ATOM 836 CA THR A 55 11.295 3.820 6.278 1.00 0.00 C ATOM 837 C THR A 55 11.151 3.355 7.735 1.00 0.00 C ATOM 838 O THR A 55 11.167 4.185 8.643 1.00 0.00 O ATOM 839 CB THR A 55 9.994 4.513 5.839 1.00 0.00 C ATOM 840 OG1 THR A 55 8.916 3.599 5.817 1.00 0.00 O ATOM 841 CG2 THR A 55 10.102 5.108 4.436 1.00 0.00 C ATOM 0 H THR A 55 10.827 2.344 4.862 1.00 0.00 H new ATOM 0 HA THR A 55 12.134 4.516 6.249 1.00 0.00 H new ATOM 0 HB THR A 55 9.821 5.307 6.566 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.100 4.063 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.159 5.586 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.903 5.847 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 55 10.321 4.315 3.721 1.00 0.00 H new ATOM 849 N GLU A 56 11.000 2.043 7.964 1.00 0.00 N ATOM 850 CA GLU A 56 10.670 1.347 9.229 1.00 0.00 C ATOM 851 C GLU A 56 9.331 1.743 9.889 1.00 0.00 C ATOM 852 O GLU A 56 8.556 0.860 10.255 1.00 0.00 O ATOM 853 CB GLU A 56 11.842 1.400 10.231 1.00 0.00 C ATOM 854 CG GLU A 56 12.803 0.206 10.124 1.00 0.00 C ATOM 855 CD GLU A 56 13.526 0.106 8.765 1.00 0.00 C ATOM 856 OE1 GLU A 56 12.936 -0.429 7.794 1.00 0.00 O ATOM 857 OE2 GLU A 56 14.708 0.518 8.677 1.00 0.00 O ATOM 0 H GLU A 56 11.115 1.375 7.202 1.00 0.00 H new ATOM 0 HA GLU A 56 10.513 0.312 8.926 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.403 2.321 10.072 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.441 1.442 11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.548 0.280 10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.244 -0.714 10.296 1.00 0.00 H new ATOM 864 N THR A 57 9.020 3.033 10.024 1.00 0.00 N ATOM 865 CA THR A 57 7.750 3.545 10.566 1.00 0.00 C ATOM 866 C THR A 57 7.419 4.919 9.981 1.00 0.00 C ATOM 867 O THR A 57 8.300 5.766 9.806 1.00 0.00 O ATOM 868 CB THR A 57 7.759 3.576 12.106 1.00 0.00 C ATOM 869 OG1 THR A 57 6.542 4.115 12.573 1.00 0.00 O ATOM 870 CG2 THR A 57 8.875 4.419 12.726 1.00 0.00 C ATOM 0 H THR A 57 9.662 3.778 9.752 1.00 0.00 H new ATOM 0 HA THR A 57 6.962 2.855 10.265 1.00 0.00 H new ATOM 0 HB THR A 57 7.917 2.540 12.405 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.547 4.133 13.553 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.800 4.380 13.813 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.843 4.026 12.415 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.778 5.452 12.393 1.00 0.00 H new ATOM 878 N LEU A 58 6.139 5.154 9.677 1.00 0.00 N ATOM 879 CA LEU A 58 5.665 6.409 9.086 1.00 0.00 C ATOM 880 C LEU A 58 5.827 7.602 10.048 1.00 0.00 C ATOM 881 O LEU A 58 6.015 8.734 9.608 1.00 0.00 O ATOM 882 CB LEU A 58 4.198 6.212 8.648 1.00 0.00 C ATOM 883 CG LEU A 58 3.700 7.241 7.614 1.00 0.00 C ATOM 884 CD1 LEU A 58 4.342 7.022 6.240 1.00 0.00 C ATOM 885 CD2 LEU A 58 2.185 7.111 7.444 1.00 0.00 C ATOM 0 H LEU A 58 5.397 4.473 9.836 1.00 0.00 H new ATOM 0 HA LEU A 58 6.275 6.654 8.217 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.087 5.212 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.558 6.261 9.529 1.00 0.00 H new ATOM 0 HG LEU A 58 3.974 8.228 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.965 7.767 5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.424 7.118 6.325 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.094 6.025 5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.837 7.840 6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.943 6.106 7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.695 7.294 8.400 1.00 0.00 H new ATOM 897 N GLU A 59 5.816 7.350 11.361 1.00 0.00 N ATOM 898 CA GLU A 59 5.998 8.368 12.408 1.00 0.00 C ATOM 899 C GLU A 59 7.399 9.009 12.400 1.00 0.00 C ATOM 900 O GLU A 59 7.534 10.182 12.755 1.00 0.00 O ATOM 901 CB GLU A 59 5.642 7.727 13.762 1.00 0.00 C ATOM 902 CG GLU A 59 5.609 8.701 14.956 1.00 0.00 C ATOM 903 CD GLU A 59 6.976 8.994 15.618 1.00 0.00 C ATOM 904 OE1 GLU A 59 7.920 8.173 15.520 1.00 0.00 O ATOM 905 OE2 GLU A 59 7.096 10.045 16.297 1.00 0.00 O ATOM 0 H GLU A 59 5.677 6.412 11.737 1.00 0.00 H new ATOM 0 HA GLU A 59 5.328 9.205 12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.666 7.249 13.675 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.365 6.939 13.975 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.179 9.644 14.620 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.938 8.296 15.714 1.00 0.00 H new ATOM 912 N SER A 60 8.425 8.286 11.933 1.00 0.00 N ATOM 913 CA SER A 60 9.799 8.801 11.820 1.00 0.00 C ATOM 914 C SER A 60 9.926 9.891 10.742 1.00 0.00 C ATOM 915 O SER A 60 10.587 10.913 10.955 1.00 0.00 O ATOM 916 CB SER A 60 10.757 7.637 11.531 1.00 0.00 C ATOM 917 OG SER A 60 12.100 8.088 11.453 1.00 0.00 O ATOM 0 H SER A 60 8.326 7.320 11.620 1.00 0.00 H new ATOM 0 HA SER A 60 10.064 9.268 12.769 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.668 6.885 12.315 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.477 7.155 10.594 1.00 0.00 H new ATOM 0 HG SER A 60 12.690 7.328 11.270 1.00 0.00 H new ATOM 923 N LEU A 61 9.254 9.705 9.599 1.00 0.00 N ATOM 924 CA LEU A 61 9.226 10.662 8.484 1.00 0.00 C ATOM 925 C LEU A 61 8.178 11.772 8.701 1.00 0.00 C ATOM 926 O LEU A 61 8.433 12.934 8.376 1.00 0.00 O ATOM 927 CB LEU A 61 8.953 9.908 7.166 1.00 0.00 C ATOM 928 CG LEU A 61 10.167 9.166 6.570 1.00 0.00 C ATOM 929 CD1 LEU A 61 10.650 7.979 7.409 1.00 0.00 C ATOM 930 CD2 LEU A 61 9.795 8.641 5.183 1.00 0.00 C ATOM 0 H LEU A 61 8.702 8.866 9.419 1.00 0.00 H new ATOM 0 HA LEU A 61 10.199 11.150 8.432 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.155 9.186 7.338 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.585 10.621 6.428 1.00 0.00 H new ATOM 0 HG LEU A 61 10.980 9.891 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.506 7.513 6.921 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.943 8.329 8.399 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.845 7.250 7.505 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.647 8.115 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.951 7.957 5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.522 9.477 4.539 1.00 0.00 H new ATOM 942 N GLY A 62 7.015 11.418 9.255 1.00 0.00 N ATOM 943 CA GLY A 62 5.897 12.318 9.558 1.00 0.00 C ATOM 944 C GLY A 62 4.544 11.639 9.318 1.00 0.00 C ATOM 945 O GLY A 62 4.064 11.585 8.183 1.00 0.00 O ATOM 0 H GLY A 62 6.818 10.452 9.517 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.962 12.643 10.596 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.971 13.212 8.939 1.00 0.00 H new ATOM 949 N VAL A 63 3.925 11.124 10.385 1.00 0.00 N ATOM 950 CA VAL A 63 2.588 10.498 10.354 1.00 0.00 C ATOM 951 C VAL A 63 1.470 11.548 10.239 1.00 0.00 C ATOM 952 O VAL A 63 1.601 12.672 10.731 1.00 0.00 O ATOM 953 CB VAL A 63 2.405 9.540 11.554 1.00 0.00 C ATOM 954 CG1 VAL A 63 2.456 10.247 12.916 1.00 0.00 C ATOM 955 CG2 VAL A 63 1.106 8.729 11.486 1.00 0.00 C ATOM 0 H VAL A 63 4.343 11.128 11.315 1.00 0.00 H new ATOM 0 HA VAL A 63 2.513 9.890 9.452 1.00 0.00 H new ATOM 0 HB VAL A 63 3.257 8.865 11.472 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.321 9.514 13.712 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.422 10.738 13.035 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.662 10.992 12.969 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.038 8.077 12.357 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.253 9.408 11.474 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.101 8.125 10.579 1.00 0.00 H new ATOM 965 N ALA A 64 0.364 11.177 9.588 1.00 0.00 N ATOM 966 CA ALA A 64 -0.820 12.011 9.355 1.00 0.00 C ATOM 967 C ALA A 64 -2.120 11.172 9.443 1.00 0.00 C ATOM 968 O ALA A 64 -2.104 10.031 9.920 1.00 0.00 O ATOM 969 CB ALA A 64 -0.629 12.718 8.003 1.00 0.00 C ATOM 0 H ALA A 64 0.264 10.243 9.190 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.928 12.770 10.130 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.494 13.349 7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.269 13.334 8.038 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.527 11.973 7.214 1.00 0.00 H new ATOM 975 N ASP A 65 -3.261 11.733 9.028 1.00 0.00 N ATOM 976 CA ASP A 65 -4.579 11.078 9.057 1.00 0.00 C ATOM 977 C ASP A 65 -5.401 11.359 7.785 1.00 0.00 C ATOM 978 O ASP A 65 -5.271 12.424 7.172 1.00 0.00 O ATOM 979 CB ASP A 65 -5.345 11.519 10.316 1.00 0.00 C ATOM 980 CG ASP A 65 -6.600 10.672 10.579 1.00 0.00 C ATOM 981 OD1 ASP A 65 -6.579 9.459 10.260 1.00 0.00 O ATOM 982 OD2 ASP A 65 -7.577 11.201 11.160 1.00 0.00 O ATOM 0 H ASP A 65 -3.297 12.681 8.652 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.418 10.000 9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.682 11.456 11.179 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -5.634 12.565 10.212 1.00 0.00 H new ATOM 987 N GLY A 66 -6.257 10.411 7.387 1.00 0.00 N ATOM 988 CA GLY A 66 -7.039 10.485 6.144 1.00 0.00 C ATOM 989 C GLY A 66 -6.201 10.291 4.869 1.00 0.00 C ATOM 990 O GLY A 66 -6.582 10.773 3.799 1.00 0.00 O ATOM 0 H GLY A 66 -6.429 9.561 7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.821 9.726 6.172 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.537 11.454 6.096 1.00 0.00 H new ATOM 994 N ASP A 67 -5.048 9.625 4.980 1.00 0.00 N ATOM 995 CA ASP A 67 -4.134 9.330 3.864 1.00 0.00 C ATOM 996 C ASP A 67 -4.738 8.346 2.843 1.00 0.00 C ATOM 997 O ASP A 67 -5.720 7.655 3.131 1.00 0.00 O ATOM 998 CB ASP A 67 -2.801 8.789 4.414 1.00 0.00 C ATOM 999 CG ASP A 67 -2.088 9.765 5.368 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -2.170 10.998 5.158 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -1.430 9.287 6.322 1.00 0.00 O ATOM 0 H ASP A 67 -4.712 9.264 5.873 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.960 10.263 3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.987 7.852 4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.139 8.561 3.579 1.00 0.00 H new ATOM 1006 N LYS A 68 -4.133 8.249 1.652 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.552 7.317 0.592 1.00 0.00 C ATOM 1008 C LYS A 68 -3.379 6.610 -0.090 1.00 0.00 C ATOM 1009 O LYS A 68 -2.329 7.212 -0.308 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.497 8.007 -0.411 1.00 0.00 C ATOM 1011 CG LYS A 68 -4.829 9.124 -1.232 1.00 0.00 C ATOM 1012 CD LYS A 68 -5.818 9.751 -2.223 1.00 0.00 C ATOM 1013 CE LYS A 68 -5.113 10.837 -3.045 1.00 0.00 C ATOM 1014 NZ LYS A 68 -6.027 11.445 -4.046 1.00 0.00 N ATOM 0 H LYS A 68 -3.329 8.821 1.392 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.116 6.520 1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.896 7.257 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.344 8.426 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.446 9.893 -0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.974 8.719 -1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.219 8.984 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.663 10.181 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.736 11.612 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -4.250 10.407 -3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.517 12.175 -4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.367 10.709 -4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.838 11.877 -3.559 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.567 5.339 -0.435 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.543 4.463 -1.020 1.00 0.00 C ATOM 1030 C PHE A 69 -3.069 3.813 -2.306 1.00 0.00 C ATOM 1031 O PHE A 69 -4.121 3.172 -2.297 1.00 0.00 O ATOM 1032 CB PHE A 69 -2.107 3.404 0.006 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.073 3.870 1.019 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -1.427 4.761 2.049 1.00 0.00 C ATOM 1035 CD2 PHE A 69 0.255 3.402 0.940 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.468 5.188 2.985 1.00 0.00 C ATOM 1037 CE2 PHE A 69 1.214 3.819 1.881 1.00 0.00 C ATOM 1038 CZ PHE A 69 0.853 4.715 2.903 1.00 0.00 C ATOM 0 H PHE A 69 -4.465 4.870 -0.313 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.669 5.059 -1.282 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.989 3.058 0.544 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.704 2.545 -0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -2.443 5.120 2.121 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.537 2.719 0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -0.747 5.879 3.767 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.227 3.451 1.819 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.589 5.039 3.623 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.337 3.972 -3.410 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.725 3.491 -4.748 1.00 0.00 C ATOM 1050 C VAL A 70 -1.900 2.257 -5.114 1.00 0.00 C ATOM 1051 O VAL A 70 -0.668 2.301 -5.054 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.570 4.598 -5.813 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -3.143 4.148 -7.164 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.279 5.900 -5.410 1.00 0.00 C ATOM 0 H VAL A 70 -1.436 4.449 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.779 3.215 -4.723 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.499 4.784 -5.895 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.021 4.947 -7.895 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.613 3.259 -7.506 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.203 3.918 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.140 6.647 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.344 5.708 -5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.857 6.270 -4.476 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.565 1.161 -5.490 1.00 0.00 N ATOM 1065 CA LEU A 71 -1.945 -0.150 -5.717 1.00 0.00 C ATOM 1066 C LEU A 71 -2.258 -0.668 -7.130 1.00 0.00 C ATOM 1067 O LEU A 71 -3.421 -0.755 -7.528 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.383 -1.084 -4.573 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.627 -2.418 -4.429 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -2.004 -3.019 -3.075 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -1.978 -3.465 -5.491 1.00 0.00 C ATOM 0 H LEU A 71 -3.573 1.159 -5.649 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.857 -0.090 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.287 -0.538 -3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.442 -1.307 -4.705 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.567 -2.187 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.484 -3.968 -2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.717 -2.332 -2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.080 -3.187 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.400 -4.372 -5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.042 -3.696 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.743 -3.073 -6.480 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.209 -0.996 -7.887 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.236 -1.300 -9.325 1.00 0.00 C ATOM 1085 C ILE A 72 -0.690 -2.715 -9.581 1.00 0.00 C ATOM 1086 O ILE A 72 0.238 -3.154 -8.903 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.440 -0.222 -10.108 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.925 1.221 -9.805 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.527 -0.461 -11.628 1.00 0.00 C ATOM 1090 CD1 ILE A 72 -0.068 1.936 -8.750 1.00 0.00 C ATOM 0 H ILE A 72 -0.269 -1.061 -7.497 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.266 -1.278 -9.682 1.00 0.00 H new ATOM 0 HB ILE A 72 0.593 -0.316 -9.772 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.915 1.802 -10.727 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.959 1.186 -9.461 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.040 0.309 -12.151 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.113 -1.441 -11.867 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.570 -0.421 -11.944 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.459 2.940 -8.583 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.098 1.375 -7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.962 2.001 -9.101 1.00 0.00 H new ATOM 1102 N THR A 73 -1.240 -3.422 -10.572 1.00 0.00 N ATOM 1103 CA THR A 73 -0.803 -4.761 -11.015 1.00 0.00 C ATOM 1104 C THR A 73 -1.034 -4.943 -12.523 1.00 0.00 C ATOM 1105 O THR A 73 -1.926 -4.307 -13.094 1.00 0.00 O ATOM 1106 CB THR A 73 -1.492 -5.865 -10.191 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.051 -7.129 -10.626 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.020 -5.865 -10.299 1.00 0.00 C ATOM 0 H THR A 73 -2.031 -3.070 -11.111 1.00 0.00 H new ATOM 0 HA THR A 73 0.269 -4.847 -10.839 1.00 0.00 H new ATOM 0 HB THR A 73 -1.224 -5.660 -9.155 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.490 -7.828 -10.098 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.428 -6.672 -9.690 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.410 -4.911 -9.945 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.311 -6.013 -11.339 1.00 0.00 H new ATOM 1116 N ARG A 74 -0.211 -5.767 -13.189 1.00 0.00 N ATOM 1117 CA ARG A 74 -0.239 -6.017 -14.642 1.00 0.00 C ATOM 1118 C ARG A 74 -0.438 -7.508 -14.954 1.00 0.00 C ATOM 1119 O ARG A 74 0.218 -8.375 -14.371 1.00 0.00 O ATOM 1120 CB ARG A 74 1.044 -5.476 -15.314 1.00 0.00 C ATOM 1121 CG ARG A 74 1.122 -3.943 -15.450 1.00 0.00 C ATOM 1122 CD ARG A 74 1.546 -3.154 -14.195 1.00 0.00 C ATOM 1123 NE ARG A 74 2.938 -3.421 -13.771 1.00 0.00 N ATOM 1124 CZ ARG A 74 4.043 -2.909 -14.291 1.00 0.00 C ATOM 1125 NH1 ARG A 74 4.019 -2.095 -15.309 1.00 0.00 N ATOM 1126 NH2 ARG A 74 5.217 -3.195 -13.804 1.00 0.00 N ATOM 0 H ARG A 74 0.520 -6.298 -12.715 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.094 -5.481 -15.055 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.906 -5.817 -14.741 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.127 -5.917 -16.307 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.823 -3.708 -16.251 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.144 -3.580 -15.765 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.433 -2.088 -14.391 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.871 -3.401 -13.375 1.00 0.00 H new ATOM 0 HE ARG A 74 3.060 -4.070 -12.994 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.128 -1.833 -15.732 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.891 -1.720 -15.683 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.298 -3.825 -13.006 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.055 -2.789 -14.221 1.00 0.00 H new ATOM 1140 N THR A 75 -1.328 -7.813 -15.898 1.00 0.00 N ATOM 1141 CA THR A 75 -1.597 -9.182 -16.381 1.00 0.00 C ATOM 1142 C THR A 75 -0.451 -9.738 -17.238 1.00 0.00 C ATOM 1143 O THR A 75 0.215 -8.997 -17.966 1.00 0.00 O ATOM 1144 CB THR A 75 -2.915 -9.242 -17.175 1.00 0.00 C ATOM 1145 OG1 THR A 75 -2.979 -8.221 -18.154 1.00 0.00 O ATOM 1146 CG2 THR A 75 -4.129 -9.078 -16.260 1.00 0.00 C ATOM 0 H THR A 75 -1.898 -7.106 -16.363 1.00 0.00 H new ATOM 0 HA THR A 75 -1.684 -9.808 -15.493 1.00 0.00 H new ATOM 0 HB THR A 75 -2.934 -10.222 -17.652 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.827 -8.288 -18.641 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.042 -9.125 -16.854 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.137 -9.877 -15.519 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.075 -8.114 -15.754 1.00 0.00 H new ATOM 1154 N VAL A 76 -0.239 -11.058 -17.183 1.00 0.00 N ATOM 1155 CA VAL A 76 0.792 -11.771 -17.972 1.00 0.00 C ATOM 1156 C VAL A 76 0.431 -11.835 -19.468 1.00 0.00 C ATOM 1157 O VAL A 76 1.314 -11.748 -20.326 1.00 0.00 O ATOM 1158 CB VAL A 76 1.023 -13.186 -17.391 1.00 0.00 C ATOM 1159 CG1 VAL A 76 2.042 -14.011 -18.190 1.00 0.00 C ATOM 1160 CG2 VAL A 76 1.536 -13.110 -15.945 1.00 0.00 C ATOM 0 H VAL A 76 -0.783 -11.677 -16.582 1.00 0.00 H new ATOM 0 HA VAL A 76 1.721 -11.206 -17.897 1.00 0.00 H new ATOM 0 HB VAL A 76 0.050 -13.675 -17.443 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.157 -14.992 -17.729 1.00 0.00 H new ATOM 0 HG12 VAL A 76 1.690 -14.130 -19.215 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.003 -13.497 -18.194 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.690 -14.118 -15.560 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.479 -12.564 -15.922 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.803 -12.593 -15.326 1.00 0.00 H new ATOM 1170 N GLY A 77 -0.866 -11.947 -19.788 1.00 0.00 N ATOM 1171 CA GLY A 77 -1.412 -12.018 -21.155 1.00 0.00 C ATOM 1172 C GLY A 77 -2.941 -11.972 -21.195 1.00 0.00 C ATOM 1173 O GLY A 77 -3.582 -12.615 -20.335 1.00 0.00 O ATOM 1174 OXT GLY A 77 -3.487 -11.295 -22.094 1.00 0.00 O ATOM 0 H GLY A 77 -1.594 -11.993 -19.075 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.014 -11.190 -21.742 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.070 -12.938 -21.629 1.00 0.00 H new TER 1178 GLY A 77