USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 690 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 17 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.7) USER MOD Set 1.2: A 24 LYS NZ :NH3+ -140:sc= 0.0257 (180deg=-0.0458) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -30:sc= 0.232 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.945 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0628 USER MOD Single : A 57 GLN : amide:sc=-0.00823 X(o=-0.0082,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ -159:sc= -0.0146 (180deg=-0.5) USER MOD Single : A 68 GLN : amide:sc= -0.699 K(o=-0.7,f=-3.7!) USER MOD Single : A 71 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.97) USER MOD Single : A 72 CYS SG : rot -25:sc= -0.987 USER MOD Single : A 76 CYS SG : rot 100:sc= -1.91 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc=-0.00883 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -97:sc= 0.745 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.490 -0.649 -7.097 1.00 0.00 N ATOM 2 CA GLY A 1 18.672 -1.442 -6.658 1.00 0.00 C ATOM 3 C GLY A 1 19.826 -0.566 -6.212 1.00 0.00 C ATOM 4 O GLY A 1 20.608 -0.092 -7.036 1.00 0.00 O ATOM 0 H1 GLY A 1 16.729 -1.294 -7.392 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.157 -0.058 -6.309 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.758 -0.041 -7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.381 -2.099 -5.838 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.001 -2.081 -7.477 1.00 0.00 H new ATOM 10 N SER A 2 19.933 -0.352 -4.905 1.00 0.00 N ATOM 11 CA SER A 2 21.000 0.473 -4.351 1.00 0.00 C ATOM 12 C SER A 2 21.526 -0.122 -3.048 1.00 0.00 C ATOM 13 O SER A 2 20.831 -0.884 -2.376 1.00 0.00 O ATOM 14 CB SER A 2 20.498 1.898 -4.108 1.00 0.00 C ATOM 15 OG SER A 2 21.541 2.842 -4.282 1.00 0.00 O ATOM 0 H SER A 2 19.294 -0.738 -4.210 1.00 0.00 H new ATOM 0 HA SER A 2 21.816 0.501 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.682 2.122 -4.795 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.095 1.978 -3.098 1.00 0.00 H new ATOM 0 HG SER A 2 21.195 3.745 -4.123 1.00 0.00 H new ATOM 21 N SER A 3 22.758 0.232 -2.697 1.00 0.00 N ATOM 22 CA SER A 3 23.377 -0.266 -1.475 1.00 0.00 C ATOM 23 C SER A 3 22.653 0.265 -0.242 1.00 0.00 C ATOM 24 O SER A 3 22.856 1.409 0.165 1.00 0.00 O ATOM 25 CB SER A 3 24.854 0.134 -1.426 1.00 0.00 C ATOM 26 OG SER A 3 25.648 -0.911 -0.894 1.00 0.00 O ATOM 0 H SER A 3 23.347 0.862 -3.242 1.00 0.00 H new ATOM 0 HA SER A 3 23.302 -1.353 -1.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.200 0.383 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.971 1.030 -0.817 1.00 0.00 H new ATOM 0 HG SER A 3 26.587 -0.631 -0.875 1.00 0.00 H new ATOM 32 N GLY A 4 21.807 -0.573 0.348 1.00 0.00 N ATOM 33 CA GLY A 4 21.065 -0.170 1.528 1.00 0.00 C ATOM 34 C GLY A 4 19.607 0.115 1.227 1.00 0.00 C ATOM 35 O GLY A 4 19.242 0.374 0.080 1.00 0.00 O ATOM 0 H GLY A 4 21.622 -1.524 0.030 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.131 -0.956 2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.525 0.721 1.956 1.00 0.00 H new ATOM 39 N SER A 5 18.772 0.068 2.259 1.00 0.00 N ATOM 40 CA SER A 5 17.345 0.323 2.099 1.00 0.00 C ATOM 41 C SER A 5 16.701 0.673 3.438 1.00 0.00 C ATOM 42 O SER A 5 17.089 0.146 4.480 1.00 0.00 O ATOM 43 CB SER A 5 16.652 -0.898 1.491 1.00 0.00 C ATOM 44 OG SER A 5 17.375 -1.392 0.377 1.00 0.00 O ATOM 0 H SER A 5 19.058 -0.144 3.215 1.00 0.00 H new ATOM 0 HA SER A 5 17.227 1.172 1.426 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.559 -1.680 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.641 -0.631 1.183 1.00 0.00 H new ATOM 0 HG SER A 5 17.846 -0.653 -0.061 1.00 0.00 H new ATOM 50 N SER A 6 15.717 1.565 3.399 1.00 0.00 N ATOM 51 CA SER A 6 15.020 1.985 4.609 1.00 0.00 C ATOM 52 C SER A 6 13.983 0.948 5.027 1.00 0.00 C ATOM 53 O SER A 6 14.207 0.169 5.953 1.00 0.00 O ATOM 54 CB SER A 6 14.345 3.341 4.389 1.00 0.00 C ATOM 55 OG SER A 6 15.306 4.375 4.266 1.00 0.00 O ATOM 0 H SER A 6 15.384 2.011 2.544 1.00 0.00 H new ATOM 0 HA SER A 6 15.755 2.079 5.408 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.730 3.303 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.677 3.558 5.223 1.00 0.00 H new ATOM 0 HG SER A 6 14.850 5.231 4.124 1.00 0.00 H new ATOM 61 N GLY A 7 12.850 0.946 4.338 1.00 0.00 N ATOM 62 CA GLY A 7 11.792 0.003 4.648 1.00 0.00 C ATOM 63 C GLY A 7 10.556 0.682 5.207 1.00 0.00 C ATOM 64 O GLY A 7 10.533 1.079 6.372 1.00 0.00 O ATOM 0 H GLY A 7 12.644 1.582 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.524 -0.547 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.160 -0.727 5.369 1.00 0.00 H new ATOM 68 N ILE A 8 9.529 0.813 4.376 1.00 0.00 N ATOM 69 CA ILE A 8 8.285 1.449 4.794 1.00 0.00 C ATOM 70 C ILE A 8 7.342 0.439 5.440 1.00 0.00 C ATOM 71 O ILE A 8 7.306 -0.729 5.051 1.00 0.00 O ATOM 72 CB ILE A 8 7.567 2.115 3.606 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.546 2.982 2.812 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.391 2.947 4.095 1.00 0.00 C ATOM 75 CD1 ILE A 8 8.022 3.397 1.453 1.00 0.00 C ATOM 0 H ILE A 8 9.533 0.488 3.409 1.00 0.00 H new ATOM 0 HA ILE A 8 8.551 2.214 5.523 1.00 0.00 H new ATOM 0 HB ILE A 8 7.185 1.334 2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.779 3.876 3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.479 2.435 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.894 3.411 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.685 2.305 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.750 3.722 4.772 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.768 4.009 0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.816 2.509 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.104 3.972 1.577 1.00 0.00 H new ATOM 87 N ASP A 9 6.580 0.896 6.429 1.00 0.00 N ATOM 88 CA ASP A 9 5.636 0.032 7.129 1.00 0.00 C ATOM 89 C ASP A 9 4.504 0.850 7.742 1.00 0.00 C ATOM 90 O ASP A 9 4.447 2.068 7.581 1.00 0.00 O ATOM 91 CB ASP A 9 6.355 -0.765 8.220 1.00 0.00 C ATOM 92 CG ASP A 9 5.795 -2.165 8.377 1.00 0.00 C ATOM 93 OD1 ASP A 9 5.968 -2.981 7.447 1.00 0.00 O ATOM 94 OD2 ASP A 9 5.183 -2.445 9.428 1.00 0.00 O ATOM 0 H ASP A 9 6.598 1.859 6.764 1.00 0.00 H new ATOM 0 HA ASP A 9 5.208 -0.661 6.405 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.417 -0.826 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.271 -0.235 9.169 1.00 0.00 H new ATOM 99 N VAL A 10 3.604 0.171 8.446 1.00 0.00 N ATOM 100 CA VAL A 10 2.473 0.833 9.083 1.00 0.00 C ATOM 101 C VAL A 10 2.944 1.846 10.122 1.00 0.00 C ATOM 102 O VAL A 10 3.686 1.505 11.043 1.00 0.00 O ATOM 103 CB VAL A 10 1.532 -0.182 9.759 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.291 0.512 10.299 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.150 -1.288 8.785 1.00 0.00 C ATOM 0 H VAL A 10 3.637 -0.838 8.589 1.00 0.00 H new ATOM 0 HA VAL A 10 1.926 1.351 8.295 1.00 0.00 H new ATOM 0 HB VAL A 10 2.061 -0.633 10.599 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.360 -0.223 10.772 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.584 1.263 11.033 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.242 0.994 9.479 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.485 -1.995 9.280 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.642 -0.855 7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.049 -1.807 8.453 1.00 0.00 H new ATOM 115 N GLY A 11 2.507 3.091 9.966 1.00 0.00 N ATOM 116 CA GLY A 11 2.892 4.135 10.897 1.00 0.00 C ATOM 117 C GLY A 11 4.162 4.847 10.475 1.00 0.00 C ATOM 118 O GLY A 11 5.030 5.127 11.303 1.00 0.00 O ATOM 0 H GLY A 11 1.893 3.396 9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.083 4.860 10.980 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.034 3.701 11.887 1.00 0.00 H new ATOM 122 N CYS A 12 4.274 5.141 9.183 1.00 0.00 N ATOM 123 CA CYS A 12 5.448 5.825 8.654 1.00 0.00 C ATOM 124 C CYS A 12 5.048 6.877 7.621 1.00 0.00 C ATOM 125 O CYS A 12 4.168 6.641 6.795 1.00 0.00 O ATOM 126 CB CYS A 12 6.410 4.814 8.025 1.00 0.00 C ATOM 127 SG CYS A 12 8.154 5.136 8.378 1.00 0.00 S ATOM 0 H CYS A 12 3.566 4.916 8.484 1.00 0.00 H new ATOM 0 HA CYS A 12 5.949 6.328 9.481 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.156 3.816 8.383 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.263 4.812 6.945 1.00 0.00 H new ATOM 0 HG CYS A 12 8.887 4.228 7.806 1.00 0.00 H new ATOM 133 N PRO A 13 5.692 8.058 7.653 1.00 0.00 N ATOM 134 CA PRO A 13 5.395 9.142 6.714 1.00 0.00 C ATOM 135 C PRO A 13 6.009 8.904 5.339 1.00 0.00 C ATOM 136 O PRO A 13 7.230 8.832 5.197 1.00 0.00 O ATOM 137 CB PRO A 13 6.032 10.360 7.380 1.00 0.00 C ATOM 138 CG PRO A 13 7.179 9.805 8.152 1.00 0.00 C ATOM 139 CD PRO A 13 6.758 8.432 8.606 1.00 0.00 C ATOM 0 HA PRO A 13 4.326 9.245 6.531 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.366 11.088 6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.324 10.871 8.033 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.075 9.752 7.533 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.418 10.440 9.005 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.589 7.727 8.574 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.391 8.445 9.632 1.00 0.00 H new ATOM 147 N VAL A 14 5.156 8.785 4.327 1.00 0.00 N ATOM 148 CA VAL A 14 5.616 8.557 2.963 1.00 0.00 C ATOM 149 C VAL A 14 4.693 9.230 1.952 1.00 0.00 C ATOM 150 O VAL A 14 3.471 9.194 2.091 1.00 0.00 O ATOM 151 CB VAL A 14 5.700 7.053 2.641 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.836 6.403 3.415 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.376 6.367 2.944 1.00 0.00 C ATOM 0 H VAL A 14 4.142 8.843 4.426 1.00 0.00 H new ATOM 0 HA VAL A 14 6.612 8.993 2.889 1.00 0.00 H new ATOM 0 HB VAL A 14 5.906 6.939 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.879 5.341 3.174 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.779 6.876 3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.665 6.526 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.454 5.305 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.136 6.489 4.000 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.588 6.814 2.339 1.00 0.00 H new ATOM 163 N LYS A 15 5.288 9.844 0.934 1.00 0.00 N ATOM 164 CA LYS A 15 4.521 10.526 -0.101 1.00 0.00 C ATOM 165 C LYS A 15 4.002 9.536 -1.138 1.00 0.00 C ATOM 166 O LYS A 15 4.555 8.449 -1.305 1.00 0.00 O ATOM 167 CB LYS A 15 5.380 11.594 -0.782 1.00 0.00 C ATOM 168 CG LYS A 15 6.182 12.442 0.191 1.00 0.00 C ATOM 169 CD LYS A 15 7.193 13.315 -0.534 1.00 0.00 C ATOM 170 CE LYS A 15 8.302 13.776 0.398 1.00 0.00 C ATOM 171 NZ LYS A 15 7.894 14.958 1.205 1.00 0.00 N ATOM 0 H LYS A 15 6.299 9.883 0.804 1.00 0.00 H new ATOM 0 HA LYS A 15 3.666 11.006 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.065 11.108 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.735 12.245 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.506 13.071 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.700 11.794 0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.624 12.759 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 15 6.688 14.183 -0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.579 12.959 1.065 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.188 14.024 -0.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.678 15.241 1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 7.654 15.746 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.064 14.714 1.783 1.00 0.00 H new ATOM 185 N VAL A 16 2.937 9.922 -1.832 1.00 0.00 N ATOM 186 CA VAL A 16 2.341 9.070 -2.854 1.00 0.00 C ATOM 187 C VAL A 16 2.063 9.858 -4.130 1.00 0.00 C ATOM 188 O VAL A 16 1.417 10.905 -4.097 1.00 0.00 O ATOM 189 CB VAL A 16 1.027 8.436 -2.362 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.531 7.395 -3.353 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.213 7.823 -0.982 1.00 0.00 C ATOM 0 H VAL A 16 2.469 10.819 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 16 3.061 8.279 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 16 0.273 9.220 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.398 6.958 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.355 7.868 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.281 6.612 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.274 7.380 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.982 7.052 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.517 8.598 -0.278 1.00 0.00 H new ATOM 201 N GLN A 17 2.557 9.347 -5.254 1.00 0.00 N ATOM 202 CA GLN A 17 2.362 10.004 -6.541 1.00 0.00 C ATOM 203 C GLN A 17 1.066 9.539 -7.198 1.00 0.00 C ATOM 204 O GLN A 17 0.858 8.344 -7.406 1.00 0.00 O ATOM 205 CB GLN A 17 3.547 9.721 -7.467 1.00 0.00 C ATOM 206 CG GLN A 17 3.815 10.831 -8.469 1.00 0.00 C ATOM 207 CD GLN A 17 5.293 11.019 -8.749 1.00 0.00 C ATOM 208 OE1 GLN A 17 6.010 10.060 -9.027 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.755 12.262 -8.675 1.00 0.00 N ATOM 0 H GLN A 17 3.094 8.481 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 17 2.295 11.078 -6.366 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.441 9.565 -6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.362 8.792 -8.007 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.298 10.606 -9.402 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.399 11.765 -8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.123 13.028 -8.441 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.742 12.451 -8.852 1.00 0.00 H new ATOM 218 N LEU A 18 0.199 10.492 -7.524 1.00 0.00 N ATOM 219 CA LEU A 18 -1.076 10.180 -8.159 1.00 0.00 C ATOM 220 C LEU A 18 -1.030 10.487 -9.652 1.00 0.00 C ATOM 221 O LEU A 18 -1.559 9.731 -10.468 1.00 0.00 O ATOM 222 CB LEU A 18 -2.206 10.973 -7.498 1.00 0.00 C ATOM 223 CG LEU A 18 -2.664 10.438 -6.140 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.736 11.338 -5.546 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.178 9.012 -6.275 1.00 0.00 C ATOM 0 H LEU A 18 0.356 11.486 -7.359 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.266 9.114 -8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.880 12.006 -7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.062 10.988 -8.173 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.808 10.433 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.050 10.942 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.335 12.343 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.593 11.376 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.500 8.647 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.021 8.993 -6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.382 8.373 -6.657 1.00 0.00 H new ATOM 237 N ARG A 19 -0.393 11.599 -10.003 1.00 0.00 N ATOM 238 CA ARG A 19 -0.277 12.005 -11.399 1.00 0.00 C ATOM 239 C ARG A 19 0.924 11.336 -12.060 1.00 0.00 C ATOM 240 O ARG A 19 1.649 10.571 -11.424 1.00 0.00 O ATOM 241 CB ARG A 19 -0.154 13.528 -11.500 1.00 0.00 C ATOM 242 CG ARG A 19 -1.308 14.183 -12.240 1.00 0.00 C ATOM 243 CD ARG A 19 -2.359 14.711 -11.278 1.00 0.00 C ATOM 244 NE ARG A 19 -3.596 15.076 -11.963 1.00 0.00 N ATOM 245 CZ ARG A 19 -3.734 16.168 -12.713 1.00 0.00 C ATOM 246 NH1 ARG A 19 -2.717 17.003 -12.875 1.00 0.00 N ATOM 247 NH2 ARG A 19 -4.895 16.424 -13.302 1.00 0.00 N ATOM 0 H ARG A 19 0.051 12.235 -9.340 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.179 11.687 -11.923 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.093 13.947 -10.495 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.779 13.776 -12.006 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.931 15.001 -12.853 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.764 13.461 -12.918 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.573 13.954 -10.524 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.965 15.581 -10.753 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.401 14.459 -11.861 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.823 16.811 -12.424 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.829 17.838 -13.451 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.681 15.785 -13.180 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.002 17.260 -13.877 1.00 0.00 H new ATOM 261 N SER A 20 1.129 11.631 -13.340 1.00 0.00 N ATOM 262 CA SER A 20 2.242 11.057 -14.087 1.00 0.00 C ATOM 263 C SER A 20 3.437 12.005 -14.096 1.00 0.00 C ATOM 264 O SER A 20 3.670 12.716 -15.074 1.00 0.00 O ATOM 265 CB SER A 20 1.813 10.744 -15.522 1.00 0.00 C ATOM 266 OG SER A 20 0.863 9.693 -15.553 1.00 0.00 O ATOM 0 H SER A 20 0.539 12.264 -13.881 1.00 0.00 H new ATOM 0 HA SER A 20 2.539 10.131 -13.594 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.387 11.637 -15.980 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.686 10.467 -16.113 1.00 0.00 H new ATOM 0 HG SER A 20 0.604 9.514 -16.481 1.00 0.00 H new ATOM 272 N GLY A 21 4.190 12.010 -13.002 1.00 0.00 N ATOM 273 CA GLY A 21 5.352 12.874 -12.905 1.00 0.00 C ATOM 274 C GLY A 21 4.978 14.332 -12.718 1.00 0.00 C ATOM 275 O GLY A 21 5.474 15.204 -13.431 1.00 0.00 O ATOM 0 H GLY A 21 4.017 11.431 -12.180 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.972 12.551 -12.069 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.955 12.770 -13.807 1.00 0.00 H new ATOM 279 N GLU A 22 4.097 14.595 -11.757 1.00 0.00 N ATOM 280 CA GLU A 22 3.656 15.957 -11.478 1.00 0.00 C ATOM 281 C GLU A 22 4.064 16.383 -10.070 1.00 0.00 C ATOM 282 O GLU A 22 4.930 17.240 -9.898 1.00 0.00 O ATOM 283 CB GLU A 22 2.137 16.065 -11.637 1.00 0.00 C ATOM 284 CG GLU A 22 1.601 17.468 -11.408 1.00 0.00 C ATOM 285 CD GLU A 22 1.306 18.198 -12.703 1.00 0.00 C ATOM 286 OE1 GLU A 22 0.926 17.530 -13.687 1.00 0.00 O ATOM 287 OE2 GLU A 22 1.454 19.438 -12.733 1.00 0.00 O ATOM 0 H GLU A 22 3.675 13.884 -11.160 1.00 0.00 H new ATOM 0 HA GLU A 22 4.138 16.623 -12.193 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.861 15.738 -12.640 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.657 15.382 -10.936 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.691 17.412 -10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.327 18.040 -10.830 1.00 0.00 H new ATOM 294 N GLU A 23 3.432 15.779 -9.069 1.00 0.00 N ATOM 295 CA GLU A 23 3.729 16.098 -7.677 1.00 0.00 C ATOM 296 C GLU A 23 3.225 14.998 -6.748 1.00 0.00 C ATOM 297 O GLU A 23 2.127 14.472 -6.930 1.00 0.00 O ATOM 298 CB GLU A 23 3.098 17.437 -7.291 1.00 0.00 C ATOM 299 CG GLU A 23 3.892 18.207 -6.251 1.00 0.00 C ATOM 300 CD GLU A 23 5.097 18.914 -6.843 1.00 0.00 C ATOM 301 OE1 GLU A 23 6.038 18.218 -7.278 1.00 0.00 O ATOM 302 OE2 GLU A 23 5.099 20.162 -6.870 1.00 0.00 O ATOM 0 H GLU A 23 2.712 15.067 -9.195 1.00 0.00 H new ATOM 0 HA GLU A 23 4.811 16.172 -7.571 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.995 18.052 -8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.093 17.259 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.243 18.941 -5.774 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.224 17.521 -5.472 1.00 0.00 H new ATOM 309 N LYS A 24 4.035 14.655 -5.751 1.00 0.00 N ATOM 310 CA LYS A 24 3.671 13.618 -4.792 1.00 0.00 C ATOM 311 C LYS A 24 3.052 14.228 -3.538 1.00 0.00 C ATOM 312 O LYS A 24 3.430 15.322 -3.117 1.00 0.00 O ATOM 313 CB LYS A 24 4.900 12.789 -4.414 1.00 0.00 C ATOM 314 CG LYS A 24 5.519 12.048 -5.589 1.00 0.00 C ATOM 315 CD LYS A 24 6.188 10.757 -5.141 1.00 0.00 C ATOM 316 CE LYS A 24 7.293 10.340 -6.098 1.00 0.00 C ATOM 317 NZ LYS A 24 7.238 8.884 -6.408 1.00 0.00 N ATOM 0 H LYS A 24 4.947 15.080 -5.586 1.00 0.00 H new ATOM 0 HA LYS A 24 2.932 12.969 -5.262 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.650 13.446 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.619 12.067 -3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.748 11.823 -6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.252 12.688 -6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.602 10.889 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.443 9.964 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.208 10.912 -7.022 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.262 10.582 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.204 8.499 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.692 8.393 -5.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.780 8.743 -7.331 1.00 0.00 H new ATOM 331 N PHE A 25 2.101 13.515 -2.946 1.00 0.00 N ATOM 332 CA PHE A 25 1.431 13.986 -1.739 1.00 0.00 C ATOM 333 C PHE A 25 1.911 13.209 -0.514 1.00 0.00 C ATOM 334 O PHE A 25 1.893 11.978 -0.509 1.00 0.00 O ATOM 335 CB PHE A 25 -0.086 13.845 -1.883 1.00 0.00 C ATOM 336 CG PHE A 25 -0.654 14.618 -3.040 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.518 15.995 -3.101 1.00 0.00 C ATOM 338 CD2 PHE A 25 -1.325 13.967 -4.063 1.00 0.00 C ATOM 339 CE1 PHE A 25 -1.040 16.710 -4.163 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.849 14.677 -5.126 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.707 16.050 -5.177 1.00 0.00 C ATOM 0 H PHE A 25 1.776 12.608 -3.282 1.00 0.00 H new ATOM 0 HA PHE A 25 1.679 15.039 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.335 12.791 -2.004 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.563 14.182 -0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.001 16.516 -2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.439 12.894 -4.029 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.926 17.783 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.370 14.158 -5.917 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.116 16.606 -6.007 1.00 0.00 H new ATOM 351 N PRO A 26 2.348 13.915 0.546 1.00 0.00 N ATOM 352 CA PRO A 26 2.831 13.274 1.774 1.00 0.00 C ATOM 353 C PRO A 26 1.706 12.612 2.564 1.00 0.00 C ATOM 354 O PRO A 26 0.619 13.174 2.703 1.00 0.00 O ATOM 355 CB PRO A 26 3.433 14.434 2.568 1.00 0.00 C ATOM 356 CG PRO A 26 2.702 15.639 2.086 1.00 0.00 C ATOM 357 CD PRO A 26 2.405 15.387 0.634 1.00 0.00 C ATOM 0 HA PRO A 26 3.539 12.473 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.299 14.292 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.505 14.523 2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.783 15.791 2.652 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.306 16.538 2.211 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.463 15.844 0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.181 15.798 -0.012 1.00 0.00 H new ATOM 365 N GLY A 27 1.975 11.416 3.077 1.00 0.00 N ATOM 366 CA GLY A 27 0.975 10.699 3.847 1.00 0.00 C ATOM 367 C GLY A 27 1.589 9.804 4.905 1.00 0.00 C ATOM 368 O GLY A 27 2.810 9.670 4.983 1.00 0.00 O ATOM 0 H GLY A 27 2.866 10.931 2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.307 11.415 4.325 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.366 10.095 3.174 1.00 0.00 H new ATOM 372 N VAL A 28 0.740 9.190 5.724 1.00 0.00 N ATOM 373 CA VAL A 28 1.205 8.302 6.782 1.00 0.00 C ATOM 374 C VAL A 28 0.640 6.896 6.604 1.00 0.00 C ATOM 375 O VAL A 28 -0.572 6.712 6.501 1.00 0.00 O ATOM 376 CB VAL A 28 0.811 8.836 8.175 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.701 8.933 8.306 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.395 7.957 9.271 1.00 0.00 C ATOM 0 H VAL A 28 -0.274 9.292 5.674 1.00 0.00 H new ATOM 0 HA VAL A 28 2.292 8.263 6.713 1.00 0.00 H new ATOM 0 HB VAL A 28 1.225 9.838 8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.957 9.312 9.296 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.089 9.611 7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.142 7.946 8.170 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.106 8.350 10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.016 6.941 9.163 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.482 7.949 9.191 1.00 0.00 H new ATOM 388 N VAL A 29 1.528 5.908 6.568 1.00 0.00 N ATOM 389 CA VAL A 29 1.118 4.518 6.401 1.00 0.00 C ATOM 390 C VAL A 29 0.182 4.081 7.524 1.00 0.00 C ATOM 391 O VAL A 29 0.526 4.172 8.702 1.00 0.00 O ATOM 392 CB VAL A 29 2.332 3.572 6.364 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.903 2.168 5.963 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.397 4.104 5.416 1.00 0.00 C ATOM 0 H VAL A 29 2.535 6.044 6.652 1.00 0.00 H new ATOM 0 HA VAL A 29 0.592 4.458 5.448 1.00 0.00 H new ATOM 0 HB VAL A 29 2.762 3.524 7.364 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.774 1.513 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.181 1.788 6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.446 2.196 4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.247 3.422 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.982 4.185 4.411 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.726 5.087 5.753 1.00 0.00 H new ATOM 404 N ARG A 30 -1.002 3.608 7.149 1.00 0.00 N ATOM 405 CA ARG A 30 -1.988 3.157 8.124 1.00 0.00 C ATOM 406 C ARG A 30 -2.189 1.646 8.036 1.00 0.00 C ATOM 407 O ARG A 30 -2.470 0.989 9.039 1.00 0.00 O ATOM 408 CB ARG A 30 -3.322 3.873 7.900 1.00 0.00 C ATOM 409 CG ARG A 30 -3.230 5.384 8.034 1.00 0.00 C ATOM 410 CD ARG A 30 -2.948 5.804 9.469 1.00 0.00 C ATOM 411 NE ARG A 30 -3.901 6.803 9.944 1.00 0.00 N ATOM 412 CZ ARG A 30 -3.688 7.588 10.998 1.00 0.00 C ATOM 413 NH1 ARG A 30 -2.558 7.493 11.688 1.00 0.00 N ATOM 414 NH2 ARG A 30 -4.607 8.471 11.363 1.00 0.00 N ATOM 0 H ARG A 30 -1.302 3.527 6.177 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.615 3.399 9.119 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.695 3.627 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.052 3.497 8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.441 5.760 7.383 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.163 5.837 7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.987 4.929 10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.937 6.206 9.537 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.781 6.905 9.439 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.847 6.816 11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.401 8.097 12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.477 8.549 10.836 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.444 9.073 12.170 1.00 0.00 H new ATOM 428 N PHE A 31 -2.043 1.104 6.832 1.00 0.00 N ATOM 429 CA PHE A 31 -2.207 -0.328 6.614 1.00 0.00 C ATOM 430 C PHE A 31 -1.234 -0.831 5.552 1.00 0.00 C ATOM 431 O PHE A 31 -0.629 -0.042 4.827 1.00 0.00 O ATOM 432 CB PHE A 31 -3.644 -0.638 6.192 1.00 0.00 C ATOM 433 CG PHE A 31 -4.001 -2.093 6.297 1.00 0.00 C ATOM 434 CD1 PHE A 31 -4.408 -2.635 7.505 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.929 -2.920 5.187 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.737 -3.974 7.605 1.00 0.00 C ATOM 437 CE2 PHE A 31 -4.257 -4.259 5.280 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.661 -4.787 6.490 1.00 0.00 C ATOM 0 H PHE A 31 -1.811 1.635 5.992 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.991 -0.841 7.551 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.329 -0.059 6.812 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.790 -0.310 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.469 -2.004 8.379 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.613 -2.513 4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.053 -4.384 8.553 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.197 -4.892 4.407 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.917 -5.833 6.565 1.00 0.00 H new ATOM 448 N ARG A 32 -1.088 -2.149 5.466 1.00 0.00 N ATOM 449 CA ARG A 32 -0.188 -2.756 4.493 1.00 0.00 C ATOM 450 C ARG A 32 -0.601 -4.195 4.195 1.00 0.00 C ATOM 451 O ARG A 32 -0.713 -5.019 5.102 1.00 0.00 O ATOM 452 CB ARG A 32 1.252 -2.722 5.008 1.00 0.00 C ATOM 453 CG ARG A 32 2.259 -3.334 4.048 1.00 0.00 C ATOM 454 CD ARG A 32 3.547 -3.714 4.758 1.00 0.00 C ATOM 455 NE ARG A 32 3.297 -4.500 5.964 1.00 0.00 N ATOM 456 CZ ARG A 32 2.889 -5.766 5.952 1.00 0.00 C ATOM 457 NH1 ARG A 32 2.684 -6.394 4.800 1.00 0.00 N ATOM 458 NH2 ARG A 32 2.685 -6.408 7.095 1.00 0.00 N ATOM 0 H ARG A 32 -1.581 -2.817 6.058 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.249 -2.180 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.534 -1.688 5.205 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.301 -3.253 5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.826 -4.218 3.580 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.478 -2.626 3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.181 -4.284 4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.096 -2.810 5.022 1.00 0.00 H new ATOM 0 HE ARG A 32 3.444 -4.052 6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.839 -5.906 3.918 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.371 -7.365 4.797 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.841 -5.931 7.983 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.372 -7.379 7.086 1.00 0.00 H new ATOM 472 N GLY A 33 -0.824 -4.488 2.918 1.00 0.00 N ATOM 473 CA GLY A 33 -1.220 -5.827 2.523 1.00 0.00 C ATOM 474 C GLY A 33 -1.736 -5.881 1.096 1.00 0.00 C ATOM 475 O GLY A 33 -2.375 -4.937 0.630 1.00 0.00 O ATOM 0 H GLY A 33 -0.738 -3.822 2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.368 -6.499 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.994 -6.189 3.200 1.00 0.00 H new ATOM 479 N PRO A 34 -1.473 -6.982 0.370 1.00 0.00 N ATOM 480 CA PRO A 34 -1.924 -7.138 -1.018 1.00 0.00 C ATOM 481 C PRO A 34 -3.425 -6.919 -1.168 1.00 0.00 C ATOM 482 O PRO A 34 -4.115 -6.591 -0.202 1.00 0.00 O ATOM 483 CB PRO A 34 -1.562 -8.588 -1.353 1.00 0.00 C ATOM 484 CG PRO A 34 -0.450 -8.927 -0.421 1.00 0.00 C ATOM 485 CD PRO A 34 -0.719 -8.157 0.841 1.00 0.00 C ATOM 0 HA PRO A 34 -1.460 -6.406 -1.679 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.415 -9.252 -1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.251 -8.688 -2.393 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.418 -9.999 -0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.515 -8.652 -0.848 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.296 -8.745 1.555 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.206 -7.867 1.340 1.00 0.00 H new ATOM 493 N LEU A 35 -3.926 -7.103 -2.384 1.00 0.00 N ATOM 494 CA LEU A 35 -5.347 -6.927 -2.662 1.00 0.00 C ATOM 495 C LEU A 35 -6.081 -8.262 -2.601 1.00 0.00 C ATOM 496 O LEU A 35 -6.953 -8.464 -1.755 1.00 0.00 O ATOM 497 CB LEU A 35 -5.543 -6.285 -4.037 1.00 0.00 C ATOM 498 CG LEU A 35 -5.344 -4.769 -4.079 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.632 -4.231 -5.472 1.00 0.00 C ATOM 500 CD2 LEU A 35 -6.231 -4.087 -3.048 1.00 0.00 C ATOM 0 H LEU A 35 -3.369 -7.374 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.763 -6.269 -1.899 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.848 -6.747 -4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.549 -6.514 -4.388 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.304 -4.551 -3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.485 -3.151 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.955 -4.696 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.662 -4.460 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.077 -3.009 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.276 -4.313 -3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.977 -4.450 -2.052 1.00 0.00 H new ATOM 512 N LEU A 36 -5.723 -9.171 -3.502 1.00 0.00 N ATOM 513 CA LEU A 36 -6.349 -10.487 -3.550 1.00 0.00 C ATOM 514 C LEU A 36 -5.587 -11.481 -2.678 1.00 0.00 C ATOM 515 O LEU A 36 -4.645 -11.113 -1.977 1.00 0.00 O ATOM 516 CB LEU A 36 -6.408 -10.994 -4.994 1.00 0.00 C ATOM 517 CG LEU A 36 -7.739 -10.753 -5.710 1.00 0.00 C ATOM 518 CD1 LEU A 36 -7.681 -9.470 -6.525 1.00 0.00 C ATOM 519 CD2 LEU A 36 -8.088 -11.936 -6.601 1.00 0.00 C ATOM 0 H LEU A 36 -5.003 -9.020 -4.209 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.364 -10.396 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.613 -10.513 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.200 -12.064 -4.996 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.520 -10.648 -4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.636 -9.315 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.477 -8.628 -5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.888 -9.547 -7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.037 -11.747 -7.102 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.305 -12.073 -7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.172 -12.837 -5.993 1.00 0.00 H new ATOM 531 N ALA A 37 -6.003 -12.743 -2.727 1.00 0.00 N ATOM 532 CA ALA A 37 -5.361 -13.791 -1.942 1.00 0.00 C ATOM 533 C ALA A 37 -4.825 -14.899 -2.841 1.00 0.00 C ATOM 534 O ALA A 37 -4.780 -16.065 -2.447 1.00 0.00 O ATOM 535 CB ALA A 37 -6.337 -14.360 -0.924 1.00 0.00 C ATOM 0 H ALA A 37 -6.782 -13.064 -3.302 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.517 -13.349 -1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.845 -15.141 -0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.668 -13.566 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.199 -14.781 -1.442 1.00 0.00 H new ATOM 541 N GLU A 38 -4.419 -14.530 -4.052 1.00 0.00 N ATOM 542 CA GLU A 38 -3.885 -15.494 -5.006 1.00 0.00 C ATOM 543 C GLU A 38 -2.423 -15.807 -4.704 1.00 0.00 C ATOM 544 O GLU A 38 -1.727 -15.018 -4.067 1.00 0.00 O ATOM 545 CB GLU A 38 -4.019 -14.957 -6.433 1.00 0.00 C ATOM 546 CG GLU A 38 -5.412 -14.447 -6.763 1.00 0.00 C ATOM 547 CD GLU A 38 -6.425 -15.566 -6.899 1.00 0.00 C ATOM 548 OE1 GLU A 38 -6.022 -16.691 -7.258 1.00 0.00 O ATOM 549 OE2 GLU A 38 -7.624 -15.316 -6.647 1.00 0.00 O ATOM 0 H GLU A 38 -4.450 -13.570 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.461 -16.415 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.302 -14.149 -6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.754 -15.747 -7.136 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.738 -13.760 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.376 -13.879 -7.693 1.00 0.00 H new ATOM 556 N ARG A 39 -1.964 -16.966 -5.167 1.00 0.00 N ATOM 557 CA ARG A 39 -0.585 -17.384 -4.946 1.00 0.00 C ATOM 558 C ARG A 39 0.384 -16.477 -5.696 1.00 0.00 C ATOM 559 O ARG A 39 1.508 -16.248 -5.248 1.00 0.00 O ATOM 560 CB ARG A 39 -0.393 -18.836 -5.391 1.00 0.00 C ATOM 561 CG ARG A 39 -1.055 -19.847 -4.471 1.00 0.00 C ATOM 562 CD ARG A 39 -1.539 -21.066 -5.239 1.00 0.00 C ATOM 563 NE ARG A 39 -1.483 -22.281 -4.431 1.00 0.00 N ATOM 564 CZ ARG A 39 -1.762 -23.496 -4.897 1.00 0.00 C ATOM 565 NH1 ARG A 39 -2.119 -23.661 -6.165 1.00 0.00 N ATOM 566 NH2 ARG A 39 -1.687 -24.549 -4.095 1.00 0.00 N ATOM 0 H ARG A 39 -2.527 -17.631 -5.697 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.374 -17.308 -3.879 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.795 -18.955 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.674 -19.052 -5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.348 -20.158 -3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.897 -19.379 -3.961 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.563 -20.900 -5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.929 -21.197 -6.133 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.214 -22.193 -3.451 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.180 -22.855 -6.787 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.332 -24.594 -6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.415 -24.429 -3.119 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.901 -25.480 -4.454 1.00 0.00 H new ATOM 580 N THR A 40 -0.056 -15.965 -6.840 1.00 0.00 N ATOM 581 CA THR A 40 0.773 -15.084 -7.653 1.00 0.00 C ATOM 582 C THR A 40 0.339 -13.630 -7.496 1.00 0.00 C ATOM 583 O THR A 40 -0.786 -13.266 -7.839 1.00 0.00 O ATOM 584 CB THR A 40 0.698 -15.493 -9.125 1.00 0.00 C ATOM 585 OG1 THR A 40 1.415 -14.579 -9.936 1.00 0.00 O ATOM 586 CG2 THR A 40 -0.717 -15.565 -9.655 1.00 0.00 C ATOM 0 H THR A 40 -0.983 -16.145 -7.225 1.00 0.00 H new ATOM 0 HA THR A 40 1.803 -15.177 -7.309 1.00 0.00 H new ATOM 0 HB THR A 40 1.136 -16.490 -9.171 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.357 -14.858 -10.874 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.698 -15.860 -10.704 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.283 -16.299 -9.082 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.191 -14.588 -9.562 1.00 0.00 H new ATOM 594 N VAL A 41 1.240 -12.802 -6.974 1.00 0.00 N ATOM 595 CA VAL A 41 0.950 -11.388 -6.771 1.00 0.00 C ATOM 596 C VAL A 41 2.073 -10.514 -7.321 1.00 0.00 C ATOM 597 O VAL A 41 3.246 -10.888 -7.269 1.00 0.00 O ATOM 598 CB VAL A 41 0.740 -11.066 -5.278 1.00 0.00 C ATOM 599 CG1 VAL A 41 1.998 -11.375 -4.479 1.00 0.00 C ATOM 600 CG2 VAL A 41 0.326 -9.613 -5.095 1.00 0.00 C ATOM 0 H VAL A 41 2.176 -13.087 -6.685 1.00 0.00 H new ATOM 0 HA VAL A 41 0.029 -11.171 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.064 -11.698 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.828 -11.141 -3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.243 -12.432 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.825 -10.774 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.183 -9.406 -4.034 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.104 -8.960 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.606 -9.430 -5.629 1.00 0.00 H new ATOM 610 N SER A 42 1.708 -9.349 -7.844 1.00 0.00 N ATOM 611 CA SER A 42 2.685 -8.422 -8.404 1.00 0.00 C ATOM 612 C SER A 42 3.468 -7.724 -7.295 1.00 0.00 C ATOM 613 O SER A 42 4.673 -7.502 -7.419 1.00 0.00 O ATOM 614 CB SER A 42 1.988 -7.382 -9.283 1.00 0.00 C ATOM 615 OG SER A 42 0.713 -7.046 -8.762 1.00 0.00 O ATOM 0 H SER A 42 0.742 -9.024 -7.892 1.00 0.00 H new ATOM 0 HA SER A 42 3.383 -8.994 -9.015 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.605 -6.486 -9.350 1.00 0.00 H new ATOM 0 HB3 SER A 42 1.880 -7.771 -10.296 1.00 0.00 H new ATOM 0 HG SER A 42 0.289 -6.378 -9.341 1.00 0.00 H new ATOM 621 N GLY A 43 2.776 -7.383 -6.214 1.00 0.00 N ATOM 622 CA GLY A 43 3.423 -6.715 -5.100 1.00 0.00 C ATOM 623 C GLY A 43 2.461 -6.413 -3.967 1.00 0.00 C ATOM 624 O GLY A 43 1.253 -6.612 -4.101 1.00 0.00 O ATOM 0 H GLY A 43 1.779 -7.557 -6.089 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.234 -7.340 -4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.872 -5.785 -5.449 1.00 0.00 H new ATOM 628 N ILE A 44 2.996 -5.932 -2.851 1.00 0.00 N ATOM 629 CA ILE A 44 2.177 -5.601 -1.691 1.00 0.00 C ATOM 630 C ILE A 44 1.649 -4.174 -1.782 1.00 0.00 C ATOM 631 O ILE A 44 2.299 -3.296 -2.348 1.00 0.00 O ATOM 632 CB ILE A 44 2.969 -5.760 -0.377 1.00 0.00 C ATOM 633 CG1 ILE A 44 3.782 -7.056 -0.394 1.00 0.00 C ATOM 634 CG2 ILE A 44 2.023 -5.737 0.815 1.00 0.00 C ATOM 635 CD1 ILE A 44 2.929 -8.305 -0.433 1.00 0.00 C ATOM 0 H ILE A 44 3.994 -5.762 -2.725 1.00 0.00 H new ATOM 0 HA ILE A 44 1.339 -6.298 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 44 3.662 -4.924 -0.285 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.442 -7.050 -1.261 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.418 -7.088 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.595 -5.850 1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.486 -4.788 0.835 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.309 -6.556 0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.572 -9.185 -0.443 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.287 -8.335 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.312 -8.296 -1.331 1.00 0.00 H new ATOM 647 N PHE A 45 0.466 -3.949 -1.220 1.00 0.00 N ATOM 648 CA PHE A 45 -0.149 -2.627 -1.238 1.00 0.00 C ATOM 649 C PHE A 45 -0.031 -1.954 0.126 1.00 0.00 C ATOM 650 O PHE A 45 -0.506 -2.479 1.132 1.00 0.00 O ATOM 651 CB PHE A 45 -1.620 -2.730 -1.643 1.00 0.00 C ATOM 652 CG PHE A 45 -1.823 -3.024 -3.102 1.00 0.00 C ATOM 653 CD1 PHE A 45 -1.310 -4.181 -3.667 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.526 -2.143 -3.908 1.00 0.00 C ATOM 655 CE1 PHE A 45 -1.493 -4.454 -5.009 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.713 -2.411 -5.251 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.196 -3.568 -5.802 1.00 0.00 C ATOM 0 H PHE A 45 -0.086 -4.665 -0.747 1.00 0.00 H new ATOM 0 HA PHE A 45 0.380 -2.018 -1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.096 -3.513 -1.053 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.123 -1.795 -1.396 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.761 -4.877 -3.051 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.932 -1.237 -3.482 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.087 -5.359 -5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.263 -1.717 -5.869 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.341 -3.779 -6.851 1.00 0.00 H new ATOM 667 N PHE A 46 0.606 -0.787 0.150 1.00 0.00 N ATOM 668 CA PHE A 46 0.787 -0.041 1.390 1.00 0.00 C ATOM 669 C PHE A 46 -0.214 1.106 1.488 1.00 0.00 C ATOM 670 O PHE A 46 -0.225 2.005 0.648 1.00 0.00 O ATOM 671 CB PHE A 46 2.213 0.504 1.477 1.00 0.00 C ATOM 672 CG PHE A 46 3.253 -0.562 1.677 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.490 -1.509 0.692 1.00 0.00 C ATOM 674 CD2 PHE A 46 3.992 -0.618 2.847 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.446 -2.490 0.873 1.00 0.00 C ATOM 676 CE2 PHE A 46 4.949 -1.597 3.033 1.00 0.00 C ATOM 677 CZ PHE A 46 5.176 -2.535 2.044 1.00 0.00 C ATOM 0 H PHE A 46 1.005 -0.338 -0.675 1.00 0.00 H new ATOM 0 HA PHE A 46 0.613 -0.723 2.223 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.439 1.054 0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.271 1.216 2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.922 -1.479 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.818 0.112 3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.622 -3.222 0.098 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.519 -1.629 3.950 1.00 0.00 H new ATOM 0 HZ PHE A 46 5.923 -3.302 2.187 1.00 0.00 H new ATOM 687 N GLY A 47 -1.052 1.066 2.518 1.00 0.00 N ATOM 688 CA GLY A 47 -2.044 2.107 2.707 1.00 0.00 C ATOM 689 C GLY A 47 -1.482 3.318 3.426 1.00 0.00 C ATOM 690 O GLY A 47 -1.046 3.220 4.572 1.00 0.00 O ATOM 0 H GLY A 47 -1.062 0.331 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.435 2.413 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.883 1.707 3.277 1.00 0.00 H new ATOM 694 N VAL A 48 -1.489 4.462 2.749 1.00 0.00 N ATOM 695 CA VAL A 48 -0.975 5.697 3.329 1.00 0.00 C ATOM 696 C VAL A 48 -2.040 6.788 3.329 1.00 0.00 C ATOM 697 O VAL A 48 -2.698 7.027 2.316 1.00 0.00 O ATOM 698 CB VAL A 48 0.262 6.203 2.564 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.901 7.373 3.295 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.264 5.076 2.363 1.00 0.00 C ATOM 0 H VAL A 48 -1.845 4.559 1.798 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.690 5.471 4.357 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.058 6.551 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.773 7.717 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.181 8.187 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.208 7.056 4.292 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.131 5.453 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.581 4.693 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.799 4.273 1.791 1.00 0.00 H new ATOM 710 N GLU A 49 -2.204 7.448 4.471 1.00 0.00 N ATOM 711 CA GLU A 49 -3.190 8.516 4.602 1.00 0.00 C ATOM 712 C GLU A 49 -2.616 9.847 4.128 1.00 0.00 C ATOM 713 O GLU A 49 -1.645 10.352 4.692 1.00 0.00 O ATOM 714 CB GLU A 49 -3.654 8.634 6.054 1.00 0.00 C ATOM 715 CG GLU A 49 -4.703 9.712 6.272 1.00 0.00 C ATOM 716 CD GLU A 49 -5.268 9.700 7.679 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.469 9.692 8.639 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.509 9.699 7.821 1.00 0.00 O ATOM 0 H GLU A 49 -1.668 7.263 5.319 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.046 8.267 3.974 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.059 7.675 6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.792 8.845 6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.263 10.688 6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.514 9.574 5.557 1.00 0.00 H new ATOM 725 N LEU A 50 -3.221 10.410 3.088 1.00 0.00 N ATOM 726 CA LEU A 50 -2.770 11.683 2.538 1.00 0.00 C ATOM 727 C LEU A 50 -2.849 12.788 3.586 1.00 0.00 C ATOM 728 O LEU A 50 -3.845 12.911 4.300 1.00 0.00 O ATOM 729 CB LEU A 50 -3.610 12.060 1.316 1.00 0.00 C ATOM 730 CG LEU A 50 -3.664 10.999 0.216 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.887 11.206 -0.666 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.392 11.031 -0.617 1.00 0.00 C ATOM 0 H LEU A 50 -4.025 10.005 2.609 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.729 11.571 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.627 12.273 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.213 12.982 0.891 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.743 10.019 0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.909 10.442 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.790 11.133 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.840 12.192 -1.128 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.447 10.270 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.283 12.013 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.533 10.833 0.024 1.00 0.00 H new ATOM 744 N LEU A 51 -1.795 13.591 3.672 1.00 0.00 N ATOM 745 CA LEU A 51 -1.743 14.688 4.633 1.00 0.00 C ATOM 746 C LEU A 51 -2.525 15.893 4.124 1.00 0.00 C ATOM 747 O LEU A 51 -3.098 15.860 3.034 1.00 0.00 O ATOM 748 CB LEU A 51 -0.292 15.086 4.909 1.00 0.00 C ATOM 749 CG LEU A 51 0.406 14.271 5.999 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.893 14.584 6.030 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.227 14.544 7.355 1.00 0.00 C ATOM 0 H LEU A 51 -0.964 13.503 3.088 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.200 14.346 5.562 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.277 14.991 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.267 16.139 5.191 1.00 0.00 H new ATOM 0 HG LEU A 51 0.284 13.212 5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.373 13.995 6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.337 14.337 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.037 15.645 6.235 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.282 13.956 8.119 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.136 15.604 7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.281 14.268 7.327 1.00 0.00 H new ATOM 763 N GLU A 52 -2.547 16.958 4.920 1.00 0.00 N ATOM 764 CA GLU A 52 -3.259 18.178 4.552 1.00 0.00 C ATOM 765 C GLU A 52 -2.805 18.687 3.187 1.00 0.00 C ATOM 766 O GLU A 52 -3.577 19.313 2.459 1.00 0.00 O ATOM 767 CB GLU A 52 -3.037 19.261 5.610 1.00 0.00 C ATOM 768 CG GLU A 52 -1.575 19.616 5.819 1.00 0.00 C ATOM 769 CD GLU A 52 -1.363 20.548 6.996 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.519 20.094 8.149 1.00 0.00 O ATOM 771 OE2 GLU A 52 -1.044 21.734 6.765 1.00 0.00 O ATOM 0 H GLU A 52 -2.079 17.001 5.825 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.322 17.943 4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.582 20.159 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.459 18.924 6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.002 18.702 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.186 20.084 4.915 1.00 0.00 H new ATOM 778 N GLU A 53 -1.551 18.412 2.844 1.00 0.00 N ATOM 779 CA GLU A 53 -0.997 18.842 1.565 1.00 0.00 C ATOM 780 C GLU A 53 -1.782 18.240 0.403 1.00 0.00 C ATOM 781 O GLU A 53 -2.214 18.954 -0.502 1.00 0.00 O ATOM 782 CB GLU A 53 0.476 18.441 1.462 1.00 0.00 C ATOM 783 CG GLU A 53 1.279 19.316 0.515 1.00 0.00 C ATOM 784 CD GLU A 53 1.798 20.575 1.183 1.00 0.00 C ATOM 785 OE1 GLU A 53 2.511 20.456 2.202 1.00 0.00 O ATOM 786 OE2 GLU A 53 1.490 21.679 0.688 1.00 0.00 O ATOM 0 H GLU A 53 -0.899 17.894 3.433 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.075 19.928 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.926 18.485 2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.540 17.405 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.120 18.744 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.656 19.591 -0.336 1.00 0.00 H new ATOM 793 N GLY A 54 -1.964 16.924 0.438 1.00 0.00 N ATOM 794 CA GLY A 54 -2.697 16.248 -0.617 1.00 0.00 C ATOM 795 C GLY A 54 -3.950 15.567 -0.104 1.00 0.00 C ATOM 796 O GLY A 54 -4.326 14.500 -0.589 1.00 0.00 O ATOM 0 H GLY A 54 -1.617 16.313 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.968 16.970 -1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.051 15.507 -1.088 1.00 0.00 H new ATOM 800 N ARG A 55 -4.599 16.187 0.876 1.00 0.00 N ATOM 801 CA ARG A 55 -5.818 15.634 1.454 1.00 0.00 C ATOM 802 C ARG A 55 -6.995 15.792 0.496 1.00 0.00 C ATOM 803 O ARG A 55 -7.080 16.774 -0.242 1.00 0.00 O ATOM 804 CB ARG A 55 -6.132 16.321 2.786 1.00 0.00 C ATOM 805 CG ARG A 55 -6.583 15.359 3.873 1.00 0.00 C ATOM 806 CD ARG A 55 -5.995 15.731 5.225 1.00 0.00 C ATOM 807 NE ARG A 55 -6.311 14.739 6.251 1.00 0.00 N ATOM 808 CZ ARG A 55 -7.482 14.670 6.881 1.00 0.00 C ATOM 809 NH1 ARG A 55 -8.450 15.532 6.593 1.00 0.00 N ATOM 810 NH2 ARG A 55 -7.685 13.737 7.800 1.00 0.00 N ATOM 0 H ARG A 55 -4.301 17.072 1.286 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.658 14.570 1.630 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.245 16.854 3.129 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.910 17.067 2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.671 15.363 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.282 14.345 3.611 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.913 15.828 5.136 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.378 16.704 5.532 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.592 14.059 6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.298 16.252 5.886 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.345 15.475 7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.944 13.072 8.024 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.582 13.684 8.283 1.00 0.00 H new ATOM 824 N GLY A 56 -7.898 14.818 0.512 1.00 0.00 N ATOM 825 CA GLY A 56 -9.058 14.867 -0.359 1.00 0.00 C ATOM 826 C GLY A 56 -8.778 14.284 -1.730 1.00 0.00 C ATOM 827 O GLY A 56 -9.403 14.672 -2.717 1.00 0.00 O ATOM 0 H GLY A 56 -7.848 13.995 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.880 14.320 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.384 15.901 -0.467 1.00 0.00 H new ATOM 831 N GLN A 57 -7.837 13.347 -1.792 1.00 0.00 N ATOM 832 CA GLN A 57 -7.475 12.709 -3.052 1.00 0.00 C ATOM 833 C GLN A 57 -7.373 11.196 -2.886 1.00 0.00 C ATOM 834 O GLN A 57 -6.585 10.538 -3.566 1.00 0.00 O ATOM 835 CB GLN A 57 -6.149 13.268 -3.569 1.00 0.00 C ATOM 836 CG GLN A 57 -6.241 14.707 -4.047 1.00 0.00 C ATOM 837 CD GLN A 57 -6.440 14.812 -5.546 1.00 0.00 C ATOM 838 OE1 GLN A 57 -7.509 15.201 -6.016 1.00 0.00 O ATOM 839 NE2 GLN A 57 -5.407 14.465 -6.306 1.00 0.00 N ATOM 0 H GLN A 57 -7.312 13.013 -0.984 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.259 12.925 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.404 13.204 -2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.796 12.643 -4.389 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.068 15.202 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.331 15.238 -3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.539 14.148 -5.873 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.482 14.516 -7.322 1.00 0.00 H new ATOM 848 N GLY A 58 -8.175 10.650 -1.977 1.00 0.00 N ATOM 849 CA GLY A 58 -8.159 9.218 -1.739 1.00 0.00 C ATOM 850 C GLY A 58 -9.314 8.505 -2.412 1.00 0.00 C ATOM 851 O GLY A 58 -10.389 9.078 -2.587 1.00 0.00 O ATOM 0 H GLY A 58 -8.835 11.173 -1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.219 8.803 -2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.196 9.031 -0.666 1.00 0.00 H new ATOM 855 N PHE A 59 -9.092 7.250 -2.793 1.00 0.00 N ATOM 856 CA PHE A 59 -10.123 6.458 -3.451 1.00 0.00 C ATOM 857 C PHE A 59 -10.627 5.349 -2.533 1.00 0.00 C ATOM 858 O PHE A 59 -11.833 5.184 -2.349 1.00 0.00 O ATOM 859 CB PHE A 59 -9.581 5.854 -4.748 1.00 0.00 C ATOM 860 CG PHE A 59 -8.229 5.217 -4.596 1.00 0.00 C ATOM 861 CD1 PHE A 59 -7.076 5.982 -4.672 1.00 0.00 C ATOM 862 CD2 PHE A 59 -8.111 3.854 -4.377 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.830 5.400 -4.532 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.868 3.266 -4.237 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.727 4.039 -4.314 1.00 0.00 C ATOM 0 H PHE A 59 -8.207 6.761 -2.657 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.958 7.118 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -10.286 5.107 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.522 6.635 -5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.152 7.046 -4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -9.000 3.244 -4.315 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.939 6.007 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.790 2.202 -4.067 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.755 3.581 -4.204 1.00 0.00 H new ATOM 875 N THR A 60 -9.697 4.594 -1.958 1.00 0.00 N ATOM 876 CA THR A 60 -10.048 3.501 -1.059 1.00 0.00 C ATOM 877 C THR A 60 -10.785 4.024 0.170 1.00 0.00 C ATOM 878 O THR A 60 -11.831 3.496 0.550 1.00 0.00 O ATOM 879 CB THR A 60 -8.793 2.741 -0.630 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.118 1.715 0.291 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.748 3.623 0.018 1.00 0.00 C ATOM 0 H THR A 60 -8.694 4.719 -2.099 1.00 0.00 H new ATOM 0 HA THR A 60 -10.709 2.821 -1.596 1.00 0.00 H new ATOM 0 HB THR A 60 -8.378 2.331 -1.550 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.302 1.239 0.552 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.885 3.019 0.298 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.438 4.396 -0.685 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.168 4.090 0.909 1.00 0.00 H new ATOM 889 N ASP A 61 -10.235 5.065 0.787 1.00 0.00 N ATOM 890 CA ASP A 61 -10.842 5.660 1.973 1.00 0.00 C ATOM 891 C ASP A 61 -10.991 4.628 3.086 1.00 0.00 C ATOM 892 O ASP A 61 -11.976 4.635 3.824 1.00 0.00 O ATOM 893 CB ASP A 61 -12.206 6.257 1.627 1.00 0.00 C ATOM 894 CG ASP A 61 -12.155 7.146 0.400 1.00 0.00 C ATOM 895 OD1 ASP A 61 -11.048 7.595 0.038 1.00 0.00 O ATOM 896 OD2 ASP A 61 -13.223 7.393 -0.200 1.00 0.00 O ATOM 0 H ASP A 61 -9.370 5.514 0.486 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.185 6.454 2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.920 5.451 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.572 6.835 2.476 1.00 0.00 H new ATOM 901 N GLY A 62 -10.008 3.740 3.200 1.00 0.00 N ATOM 902 CA GLY A 62 -10.051 2.714 4.224 1.00 0.00 C ATOM 903 C GLY A 62 -10.585 1.393 3.701 1.00 0.00 C ATOM 904 O GLY A 62 -10.295 0.335 4.260 1.00 0.00 O ATOM 0 H GLY A 62 -9.183 3.713 2.601 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.049 2.564 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.677 3.054 5.049 1.00 0.00 H new ATOM 908 N VAL A 63 -11.368 1.454 2.629 1.00 0.00 N ATOM 909 CA VAL A 63 -11.943 0.255 2.033 1.00 0.00 C ATOM 910 C VAL A 63 -11.480 0.082 0.589 1.00 0.00 C ATOM 911 O VAL A 63 -11.524 1.023 -0.204 1.00 0.00 O ATOM 912 CB VAL A 63 -13.484 0.294 2.070 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.011 1.479 1.274 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.067 -1.010 1.546 1.00 0.00 C ATOM 0 H VAL A 63 -11.619 2.322 2.155 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.595 -0.592 2.625 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.798 0.415 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.100 1.488 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.625 2.405 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.686 1.394 0.237 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.155 -0.962 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -13.743 -1.166 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.721 -1.838 2.165 1.00 0.00 H new ATOM 924 N TYR A 64 -11.038 -1.126 0.255 1.00 0.00 N ATOM 925 CA TYR A 64 -10.567 -1.423 -1.093 1.00 0.00 C ATOM 926 C TYR A 64 -11.422 -2.508 -1.739 1.00 0.00 C ATOM 927 O TYR A 64 -11.419 -3.658 -1.299 1.00 0.00 O ATOM 928 CB TYR A 64 -9.103 -1.862 -1.060 1.00 0.00 C ATOM 929 CG TYR A 64 -8.339 -1.524 -2.320 1.00 0.00 C ATOM 930 CD1 TYR A 64 -8.865 -1.812 -3.574 1.00 0.00 C ATOM 931 CD2 TYR A 64 -7.090 -0.917 -2.258 1.00 0.00 C ATOM 932 CE1 TYR A 64 -8.170 -1.505 -4.728 1.00 0.00 C ATOM 933 CE2 TYR A 64 -6.389 -0.607 -3.408 1.00 0.00 C ATOM 934 CZ TYR A 64 -6.932 -0.903 -4.639 1.00 0.00 C ATOM 935 OH TYR A 64 -6.237 -0.595 -5.786 1.00 0.00 O ATOM 0 H TYR A 64 -10.996 -1.915 0.900 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.652 -0.515 -1.690 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.611 -1.391 -0.210 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.059 -2.939 -0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.834 -2.284 -3.648 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -6.660 -0.684 -1.295 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.594 -1.735 -5.694 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.420 -0.135 -3.342 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.384 -0.175 -5.549 1.00 0.00 H new ATOM 945 N GLN A 65 -12.152 -2.135 -2.785 1.00 0.00 N ATOM 946 CA GLN A 65 -13.012 -3.077 -3.491 1.00 0.00 C ATOM 947 C GLN A 65 -14.068 -3.659 -2.556 1.00 0.00 C ATOM 948 O GLN A 65 -14.529 -4.784 -2.750 1.00 0.00 O ATOM 949 CB GLN A 65 -12.176 -4.205 -4.099 1.00 0.00 C ATOM 950 CG GLN A 65 -11.677 -3.905 -5.503 1.00 0.00 C ATOM 951 CD GLN A 65 -11.594 -5.145 -6.370 1.00 0.00 C ATOM 952 OE1 GLN A 65 -10.911 -6.110 -6.030 1.00 0.00 O ATOM 953 NE2 GLN A 65 -12.293 -5.125 -7.500 1.00 0.00 N ATOM 0 H GLN A 65 -12.165 -1.187 -3.162 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.520 -2.537 -4.290 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -11.320 -4.401 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.773 -5.117 -4.122 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.342 -3.181 -5.974 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.692 -3.442 -5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.846 -4.303 -7.743 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.276 -5.931 -8.124 1.00 0.00 H new ATOM 962 N GLY A 66 -14.448 -2.886 -1.544 1.00 0.00 N ATOM 963 CA GLY A 66 -15.447 -3.344 -0.596 1.00 0.00 C ATOM 964 C GLY A 66 -14.832 -3.924 0.663 1.00 0.00 C ATOM 965 O GLY A 66 -15.469 -3.951 1.716 1.00 0.00 O ATOM 0 H GLY A 66 -14.082 -1.951 -1.363 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.097 -2.511 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -16.074 -4.099 -1.071 1.00 0.00 H new ATOM 969 N LYS A 67 -13.592 -4.392 0.556 1.00 0.00 N ATOM 970 CA LYS A 67 -12.894 -4.974 1.696 1.00 0.00 C ATOM 971 C LYS A 67 -12.242 -3.891 2.548 1.00 0.00 C ATOM 972 O LYS A 67 -11.317 -3.209 2.103 1.00 0.00 O ATOM 973 CB LYS A 67 -11.835 -5.969 1.219 1.00 0.00 C ATOM 974 CG LYS A 67 -11.528 -7.062 2.231 1.00 0.00 C ATOM 975 CD LYS A 67 -12.205 -8.372 1.861 1.00 0.00 C ATOM 976 CE LYS A 67 -11.376 -9.165 0.864 1.00 0.00 C ATOM 977 NZ LYS A 67 -11.846 -8.965 -0.534 1.00 0.00 N ATOM 0 H LYS A 67 -13.051 -4.379 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.628 -5.499 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.173 -6.429 0.291 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.917 -5.428 0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.450 -7.212 2.289 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.860 -6.747 3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.363 -8.968 2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.188 -8.168 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.331 -8.865 0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.423 -10.225 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.520 -9.755 -1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.885 -8.927 -0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.462 -8.073 -0.905 1.00 0.00 H new ATOM 991 N GLN A 68 -12.730 -3.738 3.773 1.00 0.00 N ATOM 992 CA GLN A 68 -12.194 -2.737 4.690 1.00 0.00 C ATOM 993 C GLN A 68 -10.889 -3.217 5.315 1.00 0.00 C ATOM 994 O GLN A 68 -10.865 -4.210 6.042 1.00 0.00 O ATOM 995 CB GLN A 68 -13.213 -2.421 5.787 1.00 0.00 C ATOM 996 CG GLN A 68 -12.953 -1.102 6.495 1.00 0.00 C ATOM 997 CD GLN A 68 -13.746 0.045 5.899 1.00 0.00 C ATOM 998 OE1 GLN A 68 -14.729 -0.167 5.189 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.321 1.270 6.185 1.00 0.00 N ATOM 0 H GLN A 68 -13.495 -4.293 4.155 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.992 -1.830 4.121 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.211 -2.399 5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.205 -3.226 6.522 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.206 -1.204 7.550 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.889 -0.869 6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.501 1.400 6.778 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.814 2.081 5.812 1.00 0.00 H new ATOM 1008 N LEU A 69 -9.804 -2.507 5.027 1.00 0.00 N ATOM 1009 CA LEU A 69 -8.493 -2.861 5.560 1.00 0.00 C ATOM 1010 C LEU A 69 -8.151 -2.005 6.775 1.00 0.00 C ATOM 1011 O LEU A 69 -7.551 -2.488 7.737 1.00 0.00 O ATOM 1012 CB LEU A 69 -7.420 -2.693 4.484 1.00 0.00 C ATOM 1013 CG LEU A 69 -7.559 -3.623 3.278 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -6.402 -3.424 2.314 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -7.635 -5.074 3.731 1.00 0.00 C ATOM 0 H LEU A 69 -9.806 -1.682 4.427 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.524 -3.905 5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.439 -1.662 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.443 -2.857 4.939 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.484 -3.376 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.519 -4.094 1.462 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.393 -2.392 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.463 -3.643 2.822 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.734 -5.722 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.727 -5.333 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.499 -5.207 4.382 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.534 -0.734 6.726 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.266 0.188 7.824 1.00 0.00 C ATOM 1029 C PHE A 70 -9.284 1.325 7.842 1.00 0.00 C ATOM 1030 O PHE A 70 -10.099 1.456 6.928 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.847 0.751 7.711 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.644 1.651 6.523 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -6.849 1.179 5.236 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.249 2.967 6.695 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.663 2.004 4.143 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.060 3.796 5.606 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.267 3.315 4.329 1.00 0.00 C ATOM 0 H PHE A 70 -9.031 -0.319 5.938 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.354 -0.364 8.760 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.613 1.306 8.620 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.141 -0.077 7.652 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.158 0.155 5.086 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.087 3.350 7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.827 1.625 3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.750 4.820 5.754 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.120 3.962 3.477 1.00 0.00 H new ATOM 1047 N GLN A 71 -9.231 2.143 8.887 1.00 0.00 N ATOM 1048 CA GLN A 71 -10.149 3.269 9.023 1.00 0.00 C ATOM 1049 C GLN A 71 -9.444 4.588 8.725 1.00 0.00 C ATOM 1050 O GLN A 71 -8.580 5.028 9.482 1.00 0.00 O ATOM 1051 CB GLN A 71 -10.743 3.300 10.434 1.00 0.00 C ATOM 1052 CG GLN A 71 -12.254 3.463 10.454 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.682 4.888 10.747 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.067 5.579 11.559 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -13.742 5.334 10.085 1.00 0.00 N ATOM 0 H GLN A 71 -8.563 2.048 9.652 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.954 3.139 8.299 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.478 2.378 10.951 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.290 4.119 10.992 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.662 3.156 9.491 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.678 2.798 11.207 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.221 4.726 9.421 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.077 6.285 10.240 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.820 5.216 7.614 1.00 0.00 N ATOM 1065 CA CYS A 72 -9.227 6.485 7.214 1.00 0.00 C ATOM 1066 C CYS A 72 -10.306 7.529 6.944 1.00 0.00 C ATOM 1067 O CYS A 72 -11.490 7.203 6.854 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.361 6.296 5.967 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.830 7.258 5.983 1.00 0.00 S ATOM 0 H CYS A 72 -10.534 4.865 6.975 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.601 6.839 8.033 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.113 5.239 5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.943 6.573 5.088 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.976 8.294 6.755 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.889 8.785 6.816 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.820 9.875 6.554 1.00 0.00 C ATOM 1077 C ASP A 73 -11.407 9.764 5.151 1.00 0.00 C ATOM 1078 O ASP A 73 -11.018 8.893 4.372 1.00 0.00 O ATOM 1079 CB ASP A 73 -10.118 11.223 6.721 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.987 11.631 8.175 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -9.475 10.819 8.975 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -10.395 12.762 8.515 1.00 0.00 O ATOM 0 H ASP A 73 -8.913 9.072 6.890 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.635 9.805 7.275 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.127 11.172 6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.675 11.989 6.180 1.00 0.00 H new ATOM 1087 N GLU A 74 -12.345 10.651 4.834 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.984 10.651 3.524 1.00 0.00 C ATOM 1089 C GLU A 74 -12.027 11.161 2.451 1.00 0.00 C ATOM 1090 O GLU A 74 -11.583 12.308 2.497 1.00 0.00 O ATOM 1091 CB GLU A 74 -14.249 11.512 3.550 1.00 0.00 C ATOM 1092 CG GLU A 74 -15.413 10.905 2.784 1.00 0.00 C ATOM 1093 CD GLU A 74 -16.677 11.738 2.889 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.574 12.981 2.842 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -17.769 11.145 3.018 1.00 0.00 O ATOM 0 H GLU A 74 -12.679 11.378 5.466 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.258 9.624 3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.549 11.671 4.586 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -14.020 12.492 3.131 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.137 10.800 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -15.610 9.903 3.164 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.716 10.302 1.487 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.811 10.667 0.401 1.00 0.00 C ATOM 1104 C ASP A 75 -9.433 11.034 0.943 1.00 0.00 C ATOM 1105 O ASP A 75 -8.874 12.075 0.593 1.00 0.00 O ATOM 1106 CB ASP A 75 -11.389 11.835 -0.400 1.00 0.00 C ATOM 1107 CG ASP A 75 -12.659 11.457 -1.139 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -12.809 10.269 -1.493 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -13.502 12.351 -1.363 1.00 0.00 O ATOM 0 H ASP A 75 -12.076 9.349 1.434 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.703 9.805 -0.257 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.598 12.666 0.274 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.645 12.184 -1.116 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.889 10.175 1.798 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.577 10.409 2.388 1.00 0.00 C ATOM 1116 C CYS A 76 -6.686 9.178 2.241 1.00 0.00 C ATOM 1117 O CYS A 76 -5.545 9.276 1.789 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.717 10.776 3.867 1.00 0.00 C ATOM 1119 SG CYS A 76 -8.199 12.495 4.157 1.00 0.00 S ATOM 0 H CYS A 76 -9.337 9.309 2.098 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.111 11.239 1.857 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -8.457 10.120 4.325 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.768 10.586 4.369 1.00 0.00 H new ATOM 0 HG CYS A 76 -9.474 12.552 4.404 1.00 0.00 H new ATOM 1125 N GLY A 77 -7.216 8.022 2.625 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.455 6.789 2.528 1.00 0.00 C ATOM 1127 C GLY A 77 -6.183 6.386 1.093 1.00 0.00 C ATOM 1128 O GLY A 77 -7.006 6.623 0.208 1.00 0.00 O ATOM 0 H GLY A 77 -8.158 7.916 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.508 6.908 3.054 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.000 5.989 3.029 1.00 0.00 H new ATOM 1132 N VAL A 78 -5.027 5.776 0.860 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.647 5.339 -0.478 1.00 0.00 C ATOM 1134 C VAL A 78 -3.620 4.214 -0.419 1.00 0.00 C ATOM 1135 O VAL A 78 -2.731 4.216 0.434 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.071 6.502 -1.307 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.144 7.544 -1.585 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.883 7.128 -0.594 1.00 0.00 C ATOM 0 H VAL A 78 -4.335 5.572 1.582 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.554 4.974 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.726 6.106 -2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.718 8.358 -2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.961 7.085 -2.141 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.523 7.937 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.489 7.948 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.201 7.509 0.377 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.106 6.376 -0.452 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.746 3.255 -1.330 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.826 2.125 -1.382 1.00 0.00 C ATOM 1150 C PHE A 79 -1.930 2.209 -2.612 1.00 0.00 C ATOM 1151 O PHE A 79 -2.405 2.433 -3.726 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.605 0.808 -1.394 1.00 0.00 C ATOM 1153 CG PHE A 79 -3.928 0.287 -0.024 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -2.940 -0.276 0.769 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.219 0.361 0.474 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.234 -0.756 2.031 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.520 -0.118 1.735 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.526 -0.676 2.515 1.00 0.00 C ATOM 0 H PHE A 79 -4.476 3.238 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.196 2.160 -0.493 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.533 0.950 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.025 0.058 -1.931 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.928 -0.340 0.396 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.000 0.798 -0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.455 -1.193 2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.531 -0.056 2.110 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.758 -1.049 3.502 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.629 2.028 -2.405 1.00 0.00 N ATOM 1169 CA VAL A 80 0.334 2.084 -3.497 1.00 0.00 C ATOM 1170 C VAL A 80 1.561 1.230 -3.192 1.00 0.00 C ATOM 1171 O VAL A 80 1.851 0.933 -2.034 1.00 0.00 O ATOM 1172 CB VAL A 80 0.786 3.530 -3.775 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.380 4.367 -4.280 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.395 4.149 -2.526 1.00 0.00 C ATOM 0 H VAL A 80 -0.218 1.841 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.168 1.692 -4.381 1.00 0.00 H new ATOM 0 HB VAL A 80 1.551 3.509 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.041 5.385 -4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.766 3.934 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.169 4.382 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.708 5.170 -2.742 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.654 4.158 -1.726 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.259 3.563 -2.214 1.00 0.00 H new ATOM 1184 N ALA A 81 2.275 0.836 -4.241 1.00 0.00 N ATOM 1185 CA ALA A 81 3.471 0.014 -4.086 1.00 0.00 C ATOM 1186 C ALA A 81 4.598 0.802 -3.428 1.00 0.00 C ATOM 1187 O ALA A 81 4.624 2.032 -3.482 1.00 0.00 O ATOM 1188 CB ALA A 81 3.919 -0.522 -5.437 1.00 0.00 C ATOM 0 H ALA A 81 2.047 1.072 -5.207 1.00 0.00 H new ATOM 0 HA ALA A 81 3.224 -0.826 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.812 -1.134 -5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.123 -1.128 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.143 0.311 -6.103 1.00 0.00 H new ATOM 1194 N LEU A 82 5.530 0.085 -2.806 1.00 0.00 N ATOM 1195 CA LEU A 82 6.664 0.715 -2.136 1.00 0.00 C ATOM 1196 C LEU A 82 7.365 1.700 -3.065 1.00 0.00 C ATOM 1197 O LEU A 82 7.685 2.822 -2.670 1.00 0.00 O ATOM 1198 CB LEU A 82 7.655 -0.348 -1.657 1.00 0.00 C ATOM 1199 CG LEU A 82 8.614 0.109 -0.557 1.00 0.00 C ATOM 1200 CD1 LEU A 82 7.874 0.272 0.761 1.00 0.00 C ATOM 1201 CD2 LEU A 82 9.762 -0.877 -0.408 1.00 0.00 C ATOM 0 H LEU A 82 5.522 -0.934 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 82 6.286 1.264 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.093 -1.209 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.241 -0.687 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 82 9.028 1.077 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.572 0.598 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.086 1.017 0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.432 -0.681 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.435 -0.536 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.367 -1.859 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.309 -0.944 -1.349 1.00 0.00 H new ATOM 1213 N ASP A 83 7.593 1.275 -4.303 1.00 0.00 N ATOM 1214 CA ASP A 83 8.249 2.122 -5.292 1.00 0.00 C ATOM 1215 C ASP A 83 7.483 3.428 -5.474 1.00 0.00 C ATOM 1216 O ASP A 83 8.063 4.458 -5.817 1.00 0.00 O ATOM 1217 CB ASP A 83 8.359 1.389 -6.631 1.00 0.00 C ATOM 1218 CG ASP A 83 7.038 0.790 -7.072 1.00 0.00 C ATOM 1219 OD1 ASP A 83 6.752 -0.363 -6.688 1.00 0.00 O ATOM 1220 OD2 ASP A 83 6.290 1.476 -7.800 1.00 0.00 O ATOM 0 H ASP A 83 7.333 0.350 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 83 9.251 2.354 -4.932 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.713 2.083 -7.394 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.104 0.598 -6.549 1.00 0.00 H new ATOM 1225 N LYS A 84 6.176 3.377 -5.237 1.00 0.00 N ATOM 1226 CA LYS A 84 5.330 4.557 -5.368 1.00 0.00 C ATOM 1227 C LYS A 84 5.422 5.432 -4.123 1.00 0.00 C ATOM 1228 O LYS A 84 5.220 6.644 -4.187 1.00 0.00 O ATOM 1229 CB LYS A 84 3.877 4.144 -5.611 1.00 0.00 C ATOM 1230 CG LYS A 84 3.687 3.284 -6.851 1.00 0.00 C ATOM 1231 CD LYS A 84 3.235 4.115 -8.042 1.00 0.00 C ATOM 1232 CE LYS A 84 1.764 3.886 -8.355 1.00 0.00 C ATOM 1233 NZ LYS A 84 0.888 4.859 -7.645 1.00 0.00 N ATOM 0 H LYS A 84 5.680 2.532 -4.953 1.00 0.00 H new ATOM 0 HA LYS A 84 5.683 5.134 -6.222 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.513 3.597 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.264 5.041 -5.704 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.623 2.780 -7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.950 2.508 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.404 5.172 -7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.838 3.861 -8.914 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.604 3.970 -9.430 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.486 2.871 -8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.106 4.670 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.022 4.761 -6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.136 5.826 -7.936 1.00 0.00 H new ATOM 1247 N LEU A 85 5.729 4.808 -2.988 1.00 0.00 N ATOM 1248 CA LEU A 85 5.848 5.531 -1.727 1.00 0.00 C ATOM 1249 C LEU A 85 7.238 6.142 -1.579 1.00 0.00 C ATOM 1250 O LEU A 85 8.248 5.463 -1.763 1.00 0.00 O ATOM 1251 CB LEU A 85 5.561 4.597 -0.550 1.00 0.00 C ATOM 1252 CG LEU A 85 4.116 4.108 -0.449 1.00 0.00 C ATOM 1253 CD1 LEU A 85 3.953 3.164 0.732 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.163 5.288 -0.326 1.00 0.00 C ATOM 0 H LEU A 85 5.899 3.805 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 85 5.115 6.337 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.217 3.730 -0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.819 5.113 0.375 1.00 0.00 H new ATOM 0 HG LEU A 85 3.872 3.562 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.918 2.826 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.609 2.303 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.215 3.685 1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.139 4.922 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.407 5.861 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.260 5.927 -1.204 1.00 0.00 H new ATOM 1266 N GLU A 86 7.281 7.428 -1.245 1.00 0.00 N ATOM 1267 CA GLU A 86 8.548 8.131 -1.072 1.00 0.00 C ATOM 1268 C GLU A 86 8.745 8.547 0.381 1.00 0.00 C ATOM 1269 O GLU A 86 8.006 9.382 0.904 1.00 0.00 O ATOM 1270 CB GLU A 86 8.599 9.362 -1.979 1.00 0.00 C ATOM 1271 CG GLU A 86 9.970 10.014 -2.042 1.00 0.00 C ATOM 1272 CD GLU A 86 9.966 11.308 -2.832 1.00 0.00 C ATOM 1273 OE1 GLU A 86 9.126 11.442 -3.746 1.00 0.00 O ATOM 1274 OE2 GLU A 86 10.802 12.187 -2.537 1.00 0.00 O ATOM 0 H GLU A 86 6.454 8.004 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 86 9.354 7.451 -1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.296 9.074 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.873 10.094 -1.625 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.320 10.212 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.678 9.319 -2.494 1.00 0.00 H new ATOM 1281 N LEU A 87 9.745 7.960 1.029 1.00 0.00 N ATOM 1282 CA LEU A 87 10.040 8.271 2.424 1.00 0.00 C ATOM 1283 C LEU A 87 10.455 9.731 2.580 1.00 0.00 C ATOM 1284 O LEU A 87 11.145 10.286 1.725 1.00 0.00 O ATOM 1285 CB LEU A 87 11.146 7.355 2.950 1.00 0.00 C ATOM 1286 CG LEU A 87 11.137 7.131 4.463 1.00 0.00 C ATOM 1287 CD1 LEU A 87 10.004 6.196 4.857 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.474 6.576 4.927 1.00 0.00 C ATOM 0 H LEU A 87 10.365 7.266 0.611 1.00 0.00 H new ATOM 0 HA LEU A 87 9.134 8.106 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.062 6.388 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.111 7.776 2.666 1.00 0.00 H new ATOM 0 HG LEU A 87 10.975 8.091 4.953 1.00 0.00 H new ATOM 0 HD11 LEU A 87 10.013 6.048 5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.051 6.633 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.135 5.236 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.450 6.423 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.666 5.625 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.267 7.282 4.679 1.00 0.00 H new ATOM 1300 N ILE A 88 10.030 10.346 3.678 1.00 0.00 N ATOM 1301 CA ILE A 88 10.357 11.741 3.948 1.00 0.00 C ATOM 1302 C ILE A 88 11.582 11.853 4.848 1.00 0.00 C ATOM 1303 O ILE A 88 11.809 11.007 5.713 1.00 0.00 O ATOM 1304 CB ILE A 88 9.178 12.479 4.610 1.00 0.00 C ATOM 1305 CG1 ILE A 88 7.886 12.227 3.830 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.468 13.970 4.699 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.633 12.532 4.622 1.00 0.00 C ATOM 0 H ILE A 88 9.458 9.900 4.396 1.00 0.00 H new ATOM 0 HA ILE A 88 10.571 12.207 2.986 1.00 0.00 H new ATOM 0 HB ILE A 88 9.050 12.093 5.621 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.892 12.836 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.860 11.185 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.625 14.477 5.169 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.367 14.131 5.295 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.620 14.372 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.756 12.331 4.007 1.00 0.00 H new ATOM 0 HD12 ILE A 88 6.604 11.904 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.636 13.581 4.918 1.00 0.00 H new ATOM 1319 N GLU A 89 12.370 12.903 4.639 1.00 0.00 N ATOM 1320 CA GLU A 89 13.573 13.127 5.432 1.00 0.00 C ATOM 1321 C GLU A 89 13.424 14.366 6.309 1.00 0.00 C ATOM 1322 O GLU A 89 12.592 15.233 6.041 1.00 0.00 O ATOM 1323 CB GLU A 89 14.791 13.279 4.518 1.00 0.00 C ATOM 1324 CG GLU A 89 15.489 11.964 4.211 1.00 0.00 C ATOM 1325 CD GLU A 89 15.886 11.841 2.753 1.00 0.00 C ATOM 1326 OE1 GLU A 89 16.292 12.862 2.160 1.00 0.00 O ATOM 1327 OE2 GLU A 89 15.792 10.723 2.205 1.00 0.00 O ATOM 0 H GLU A 89 12.197 13.612 3.927 1.00 0.00 H new ATOM 0 HA GLU A 89 13.718 12.261 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.477 13.741 3.582 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.503 13.958 4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.379 11.875 4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.830 11.137 4.475 1.00 0.00 H new ATOM 1334 N SER A 90 14.236 14.443 7.359 1.00 0.00 N ATOM 1335 CA SER A 90 14.197 15.576 8.277 1.00 0.00 C ATOM 1336 C SER A 90 12.797 15.761 8.857 1.00 0.00 C ATOM 1337 O SER A 90 11.934 16.382 8.237 1.00 0.00 O ATOM 1338 CB SER A 90 14.642 16.851 7.557 1.00 0.00 C ATOM 1339 OG SER A 90 14.136 18.009 8.201 1.00 0.00 O ATOM 0 H SER A 90 14.930 13.733 7.595 1.00 0.00 H new ATOM 0 HA SER A 90 14.882 15.373 9.100 1.00 0.00 H new ATOM 0 HB2 SER A 90 15.731 16.894 7.529 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.297 16.827 6.523 1.00 0.00 H new ATOM 0 HG SER A 90 14.437 18.808 7.721 1.00 0.00 H new ATOM 1345 N GLY A 91 12.581 15.216 10.050 1.00 0.00 N ATOM 1346 CA GLY A 91 11.285 15.331 10.694 1.00 0.00 C ATOM 1347 C GLY A 91 11.067 16.697 11.319 1.00 0.00 C ATOM 1348 O GLY A 91 12.019 17.451 11.514 1.00 0.00 O ATOM 0 H GLY A 91 13.280 14.697 10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.501 15.140 9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 91 11.196 14.564 11.464 1.00 0.00 H new ATOM 1352 N PRO A 92 9.810 17.045 11.648 1.00 0.00 N ATOM 1353 CA PRO A 92 9.482 18.338 12.257 1.00 0.00 C ATOM 1354 C PRO A 92 10.330 18.629 13.491 1.00 0.00 C ATOM 1355 O PRO A 92 11.081 19.603 13.525 1.00 0.00 O ATOM 1356 CB PRO A 92 8.010 18.187 12.644 1.00 0.00 C ATOM 1357 CG PRO A 92 7.477 17.156 11.711 1.00 0.00 C ATOM 1358 CD PRO A 92 8.613 16.206 11.450 1.00 0.00 C ATOM 0 HA PRO A 92 9.674 19.168 11.577 1.00 0.00 H new ATOM 0 HB2 PRO A 92 7.904 17.874 13.683 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.474 19.130 12.539 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.626 16.635 12.150 1.00 0.00 H new ATOM 0 HG3 PRO A 92 7.128 17.611 10.784 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.596 15.361 12.138 1.00 0.00 H new ATOM 0 HD3 PRO A 92 8.571 15.797 10.441 1.00 0.00 H new ATOM 1366 N SER A 93 10.205 17.775 14.503 1.00 0.00 N ATOM 1367 CA SER A 93 10.960 17.940 15.739 1.00 0.00 C ATOM 1368 C SER A 93 12.189 17.038 15.751 1.00 0.00 C ATOM 1369 O SER A 93 12.135 15.905 16.230 1.00 0.00 O ATOM 1370 CB SER A 93 10.074 17.631 16.947 1.00 0.00 C ATOM 1371 OG SER A 93 8.738 18.047 16.720 1.00 0.00 O ATOM 0 H SER A 93 9.588 16.963 14.491 1.00 0.00 H new ATOM 0 HA SER A 93 11.293 18.976 15.796 1.00 0.00 H new ATOM 0 HB2 SER A 93 10.095 16.561 17.153 1.00 0.00 H new ATOM 0 HB3 SER A 93 10.469 18.133 17.830 1.00 0.00 H new ATOM 0 HG SER A 93 8.192 17.837 17.506 1.00 0.00 H new ATOM 1377 N SER A 94 13.295 17.547 15.220 1.00 0.00 N ATOM 1378 CA SER A 94 14.539 16.787 15.170 1.00 0.00 C ATOM 1379 C SER A 94 15.702 17.609 15.717 1.00 0.00 C ATOM 1380 O SER A 94 15.886 18.768 15.344 1.00 0.00 O ATOM 1381 CB SER A 94 14.837 16.353 13.735 1.00 0.00 C ATOM 1382 OG SER A 94 14.597 17.409 12.821 1.00 0.00 O ATOM 0 H SER A 94 13.356 18.482 14.818 1.00 0.00 H new ATOM 0 HA SER A 94 14.420 15.901 15.794 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.875 16.030 13.658 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.217 15.495 13.475 1.00 0.00 H new ATOM 0 HG SER A 94 13.703 17.308 12.431 1.00 0.00 H new ATOM 1388 N GLY A 95 16.485 17.001 16.602 1.00 0.00 N ATOM 1389 CA GLY A 95 17.620 17.691 17.186 1.00 0.00 C ATOM 1390 C GLY A 95 18.922 17.364 16.482 1.00 0.00 C ATOM 1391 O GLY A 95 19.987 17.465 17.126 1.00 0.00 O ATOM 1392 OXT GLY A 95 18.876 17.007 15.285 1.00 0.00 O ATOM 0 H GLY A 95 16.354 16.043 16.925 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.448 18.767 17.144 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.702 17.422 18.239 1.00 0.00 H new TER 1396 GLY A 95