USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=16 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 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.92 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -5.13 K(o=-5.1,f=-4.6) USER MOD Single : A 20 SER OG : rot -69:sc= 0.517 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00502) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0639 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.262 X(o=-0.26,f=-0.068) USER MOD Single : A 60 THR OG1 : rot 26:sc= 0.604 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.1!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 CYS SG : rot -9:sc= -3.25 USER MOD Single : A 76 CYS SG : rot 55:sc= -2.61 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.145 -4.807 10.137 1.00 0.00 N ATOM 2 CA GLY A 1 13.712 -4.992 11.549 1.00 0.00 C ATOM 3 C GLY A 1 13.969 -3.764 12.400 1.00 0.00 C ATOM 4 O GLY A 1 13.058 -2.980 12.660 1.00 0.00 O ATOM 0 H1 GLY A 1 13.948 -5.674 9.597 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.625 -4.011 9.716 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.165 -4.607 10.110 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.648 -5.230 11.571 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.238 -5.844 11.978 1.00 0.00 H new ATOM 10 N SER A 2 15.214 -3.599 12.834 1.00 0.00 N ATOM 11 CA SER A 2 15.590 -2.458 13.661 1.00 0.00 C ATOM 12 C SER A 2 16.546 -1.536 12.913 1.00 0.00 C ATOM 13 O SER A 2 16.475 -0.313 13.042 1.00 0.00 O ATOM 14 CB SER A 2 16.237 -2.935 14.962 1.00 0.00 C ATOM 15 OG SER A 2 15.832 -2.134 16.059 1.00 0.00 O ATOM 0 H SER A 2 15.980 -4.241 12.627 1.00 0.00 H new ATOM 0 HA SER A 2 14.685 -1.899 13.898 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.965 -3.974 15.147 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.322 -2.902 14.865 1.00 0.00 H new ATOM 0 HG SER A 2 16.259 -2.461 16.878 1.00 0.00 H new ATOM 21 N SER A 3 17.441 -2.129 12.130 1.00 0.00 N ATOM 22 CA SER A 3 18.413 -1.362 11.360 1.00 0.00 C ATOM 23 C SER A 3 17.949 -1.188 9.917 1.00 0.00 C ATOM 24 O SER A 3 16.808 -1.503 9.580 1.00 0.00 O ATOM 25 CB SER A 3 19.779 -2.050 11.389 1.00 0.00 C ATOM 26 OG SER A 3 20.828 -1.101 11.458 1.00 0.00 O ATOM 0 H SER A 3 17.513 -3.140 12.012 1.00 0.00 H new ATOM 0 HA SER A 3 18.502 -0.376 11.816 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.834 -2.720 12.247 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.899 -2.665 10.497 1.00 0.00 H new ATOM 0 HG SER A 3 21.690 -1.567 11.477 1.00 0.00 H new ATOM 32 N GLY A 4 18.842 -0.687 9.070 1.00 0.00 N ATOM 33 CA GLY A 4 18.505 -0.480 7.673 1.00 0.00 C ATOM 34 C GLY A 4 18.361 0.988 7.322 1.00 0.00 C ATOM 35 O GLY A 4 18.131 1.822 8.197 1.00 0.00 O ATOM 0 H GLY A 4 19.793 -0.421 9.326 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.277 -0.926 7.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.573 -0.998 7.447 1.00 0.00 H new ATOM 39 N SER A 5 18.497 1.302 6.038 1.00 0.00 N ATOM 40 CA SER A 5 18.381 2.679 5.573 1.00 0.00 C ATOM 41 C SER A 5 17.003 2.937 4.971 1.00 0.00 C ATOM 42 O SER A 5 16.477 4.046 5.052 1.00 0.00 O ATOM 43 CB SER A 5 19.466 2.984 4.539 1.00 0.00 C ATOM 44 OG SER A 5 20.646 3.462 5.163 1.00 0.00 O ATOM 0 H SER A 5 18.687 0.622 5.302 1.00 0.00 H new ATOM 0 HA SER A 5 18.512 3.337 6.432 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.692 2.083 3.968 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.099 3.727 3.831 1.00 0.00 H new ATOM 0 HG SER A 5 21.325 3.648 4.481 1.00 0.00 H new ATOM 50 N SER A 6 16.423 1.903 4.368 1.00 0.00 N ATOM 51 CA SER A 6 15.107 2.019 3.753 1.00 0.00 C ATOM 52 C SER A 6 14.116 1.058 4.402 1.00 0.00 C ATOM 53 O SER A 6 14.475 0.290 5.296 1.00 0.00 O ATOM 54 CB SER A 6 15.197 1.738 2.251 1.00 0.00 C ATOM 55 OG SER A 6 15.600 2.895 1.539 1.00 0.00 O ATOM 0 H SER A 6 16.844 0.977 4.293 1.00 0.00 H new ATOM 0 HA SER A 6 14.751 3.038 3.906 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.907 0.931 2.071 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.229 1.399 1.883 1.00 0.00 H new ATOM 0 HG SER A 6 15.652 2.689 0.582 1.00 0.00 H new ATOM 61 N GLY A 7 12.868 1.106 3.946 1.00 0.00 N ATOM 62 CA GLY A 7 11.843 0.235 4.494 1.00 0.00 C ATOM 63 C GLY A 7 10.687 1.007 5.098 1.00 0.00 C ATOM 64 O GLY A 7 10.815 1.587 6.176 1.00 0.00 O ATOM 0 H GLY A 7 12.548 1.732 3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.467 -0.419 3.707 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.285 -0.406 5.256 1.00 0.00 H new ATOM 68 N ILE A 8 9.555 1.015 4.401 1.00 0.00 N ATOM 69 CA ILE A 8 8.372 1.722 4.874 1.00 0.00 C ATOM 70 C ILE A 8 7.414 0.774 5.586 1.00 0.00 C ATOM 71 O ILE A 8 7.012 -0.249 5.033 1.00 0.00 O ATOM 72 CB ILE A 8 7.626 2.410 3.715 1.00 0.00 C ATOM 73 CG1 ILE A 8 8.605 3.211 2.853 1.00 0.00 C ATOM 74 CG2 ILE A 8 6.526 3.311 4.253 1.00 0.00 C ATOM 75 CD1 ILE A 8 7.986 3.759 1.586 1.00 0.00 C ATOM 0 H ILE A 8 9.433 0.540 3.507 1.00 0.00 H new ATOM 0 HA ILE A 8 8.718 2.481 5.575 1.00 0.00 H new ATOM 0 HB ILE A 8 7.167 1.642 3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.001 4.038 3.441 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.449 2.574 2.589 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.009 3.790 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.816 2.716 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.963 4.075 4.896 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.737 4.315 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.614 2.935 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.160 4.422 1.842 1.00 0.00 H new ATOM 87 N ASP A 9 7.053 1.122 6.817 1.00 0.00 N ATOM 88 CA ASP A 9 6.142 0.302 7.608 1.00 0.00 C ATOM 89 C ASP A 9 4.917 1.106 8.034 1.00 0.00 C ATOM 90 O ASP A 9 4.853 2.316 7.822 1.00 0.00 O ATOM 91 CB ASP A 9 6.859 -0.250 8.842 1.00 0.00 C ATOM 92 CG ASP A 9 6.272 -1.567 9.310 1.00 0.00 C ATOM 93 OD1 ASP A 9 6.258 -2.529 8.513 1.00 0.00 O ATOM 94 OD2 ASP A 9 5.825 -1.637 10.474 1.00 0.00 O ATOM 0 H ASP A 9 7.377 1.966 7.288 1.00 0.00 H new ATOM 0 HA ASP A 9 5.810 -0.530 6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.916 -0.387 8.614 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.799 0.479 9.650 1.00 0.00 H new ATOM 99 N VAL A 10 3.948 0.424 8.636 1.00 0.00 N ATOM 100 CA VAL A 10 2.727 1.076 9.092 1.00 0.00 C ATOM 101 C VAL A 10 3.033 2.153 10.127 1.00 0.00 C ATOM 102 O VAL A 10 3.797 1.927 11.066 1.00 0.00 O ATOM 103 CB VAL A 10 1.739 0.060 9.698 1.00 0.00 C ATOM 104 CG1 VAL A 10 0.419 0.734 10.042 1.00 0.00 C ATOM 105 CG2 VAL A 10 1.519 -1.104 8.745 1.00 0.00 C ATOM 0 H VAL A 10 3.985 -0.579 8.819 1.00 0.00 H new ATOM 0 HA VAL A 10 2.269 1.537 8.217 1.00 0.00 H new ATOM 0 HB VAL A 10 2.170 -0.331 10.620 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.264 -0.000 10.468 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.595 1.530 10.766 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.020 1.156 9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.819 -1.811 9.190 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.112 -0.732 7.805 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.469 -1.604 8.556 1.00 0.00 H new ATOM 115 N GLY A 11 2.433 3.325 9.948 1.00 0.00 N ATOM 116 CA GLY A 11 2.654 4.420 10.873 1.00 0.00 C ATOM 117 C GLY A 11 3.889 5.228 10.529 1.00 0.00 C ATOM 118 O GLY A 11 4.688 5.555 11.406 1.00 0.00 O ATOM 0 H GLY A 11 1.798 3.536 9.178 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.783 5.075 10.871 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.753 4.024 11.884 1.00 0.00 H new ATOM 122 N CYS A 12 4.049 5.549 9.249 1.00 0.00 N ATOM 123 CA CYS A 12 5.198 6.323 8.793 1.00 0.00 C ATOM 124 C CYS A 12 4.810 7.247 7.640 1.00 0.00 C ATOM 125 O CYS A 12 4.053 6.857 6.751 1.00 0.00 O ATOM 126 CB CYS A 12 6.326 5.386 8.357 1.00 0.00 C ATOM 127 SG CYS A 12 7.965 5.882 8.940 1.00 0.00 S ATOM 0 H CYS A 12 3.398 5.285 8.510 1.00 0.00 H new ATOM 0 HA CYS A 12 5.546 6.938 9.623 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.111 4.382 8.722 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.340 5.334 7.268 1.00 0.00 H new ATOM 0 HG CYS A 12 8.851 5.027 8.523 1.00 0.00 H new ATOM 133 N PRO A 13 5.326 8.490 7.638 1.00 0.00 N ATOM 134 CA PRO A 13 5.026 9.465 6.586 1.00 0.00 C ATOM 135 C PRO A 13 5.749 9.147 5.280 1.00 0.00 C ATOM 136 O PRO A 13 6.947 8.863 5.276 1.00 0.00 O ATOM 137 CB PRO A 13 5.535 10.781 7.172 1.00 0.00 C ATOM 138 CG PRO A 13 6.636 10.380 8.093 1.00 0.00 C ATOM 139 CD PRO A 13 6.239 9.042 8.659 1.00 0.00 C ATOM 0 HA PRO A 13 3.967 9.478 6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.895 11.450 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.745 11.310 7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 13 7.585 10.312 7.560 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.768 11.115 8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.105 8.398 8.812 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.745 9.146 9.625 1.00 0.00 H new ATOM 147 N VAL A 14 5.013 9.200 4.174 1.00 0.00 N ATOM 148 CA VAL A 14 5.585 8.919 2.863 1.00 0.00 C ATOM 149 C VAL A 14 4.809 9.630 1.761 1.00 0.00 C ATOM 150 O VAL A 14 3.579 9.680 1.786 1.00 0.00 O ATOM 151 CB VAL A 14 5.602 7.407 2.569 1.00 0.00 C ATOM 152 CG1 VAL A 14 6.691 6.717 3.376 1.00 0.00 C ATOM 153 CG2 VAL A 14 4.243 6.791 2.858 1.00 0.00 C ATOM 0 H VAL A 14 4.020 9.435 4.160 1.00 0.00 H new ATOM 0 HA VAL A 14 6.610 9.290 2.880 1.00 0.00 H new ATOM 0 HB VAL A 14 5.822 7.265 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.687 5.650 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 14 7.661 7.139 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 14 6.506 6.868 4.440 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.275 5.723 2.644 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.990 6.944 3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.488 7.264 2.230 1.00 0.00 H new ATOM 163 N LYS A 15 5.535 10.180 0.793 1.00 0.00 N ATOM 164 CA LYS A 15 4.915 10.888 -0.320 1.00 0.00 C ATOM 165 C LYS A 15 4.486 9.916 -1.414 1.00 0.00 C ATOM 166 O LYS A 15 5.263 9.059 -1.836 1.00 0.00 O ATOM 167 CB LYS A 15 5.882 11.925 -0.895 1.00 0.00 C ATOM 168 CG LYS A 15 6.429 12.888 0.147 1.00 0.00 C ATOM 169 CD LYS A 15 7.843 13.330 -0.193 1.00 0.00 C ATOM 170 CE LYS A 15 8.139 14.717 0.353 1.00 0.00 C ATOM 171 NZ LYS A 15 8.983 15.514 -0.581 1.00 0.00 N ATOM 0 H LYS A 15 6.554 10.149 0.757 1.00 0.00 H new ATOM 0 HA LYS A 15 4.028 11.397 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.714 11.408 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.372 12.494 -1.672 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.780 13.761 0.214 1.00 0.00 H new ATOM 0 HG3 LYS A 15 6.422 12.409 1.126 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.557 12.616 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.976 13.328 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.202 15.243 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.646 14.628 1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.162 16.453 -0.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.888 15.025 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.489 15.621 -1.490 1.00 0.00 H new ATOM 185 N VAL A 16 3.245 10.054 -1.870 1.00 0.00 N ATOM 186 CA VAL A 16 2.713 9.188 -2.915 1.00 0.00 C ATOM 187 C VAL A 16 2.450 9.972 -4.197 1.00 0.00 C ATOM 188 O VAL A 16 1.847 11.045 -4.168 1.00 0.00 O ATOM 189 CB VAL A 16 1.407 8.505 -2.468 1.00 0.00 C ATOM 190 CG1 VAL A 16 0.999 7.430 -3.464 1.00 0.00 C ATOM 191 CG2 VAL A 16 1.558 7.920 -1.071 1.00 0.00 C ATOM 0 H VAL A 16 2.589 10.758 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 16 3.467 8.424 -3.107 1.00 0.00 H new ATOM 0 HB VAL A 16 0.619 9.257 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.074 6.958 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.844 7.882 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.786 6.679 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.625 7.442 -0.774 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.360 7.182 -1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.798 8.717 -0.367 1.00 0.00 H new ATOM 201 N GLN A 17 2.907 9.429 -5.321 1.00 0.00 N ATOM 202 CA GLN A 17 2.720 10.078 -6.613 1.00 0.00 C ATOM 203 C GLN A 17 1.436 9.601 -7.282 1.00 0.00 C ATOM 204 O GLN A 17 1.300 8.425 -7.619 1.00 0.00 O ATOM 205 CB GLN A 17 3.918 9.801 -7.525 1.00 0.00 C ATOM 206 CG GLN A 17 4.108 10.844 -8.613 1.00 0.00 C ATOM 207 CD GLN A 17 5.545 11.317 -8.725 1.00 0.00 C ATOM 208 OE1 GLN A 17 6.409 10.599 -9.227 1.00 0.00 O ATOM 209 NE2 GLN A 17 5.806 12.531 -8.256 1.00 0.00 N ATOM 0 H GLN A 17 3.409 8.542 -5.363 1.00 0.00 H new ATOM 0 HA GLN A 17 2.642 11.152 -6.443 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.822 9.752 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.792 8.823 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.791 10.428 -9.569 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.463 11.699 -8.408 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.058 13.092 -7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.754 12.903 -8.304 1.00 0.00 H new ATOM 218 N LEU A 18 0.496 10.521 -7.472 1.00 0.00 N ATOM 219 CA LEU A 18 -0.778 10.193 -8.101 1.00 0.00 C ATOM 220 C LEU A 18 -0.711 10.409 -9.609 1.00 0.00 C ATOM 221 O LEU A 18 -0.957 9.489 -10.389 1.00 0.00 O ATOM 222 CB LEU A 18 -1.899 11.045 -7.502 1.00 0.00 C ATOM 223 CG LEU A 18 -2.415 10.572 -6.142 1.00 0.00 C ATOM 224 CD1 LEU A 18 -3.376 11.592 -5.552 1.00 0.00 C ATOM 225 CD2 LEU A 18 -3.090 9.214 -6.274 1.00 0.00 C ATOM 0 H LEU A 18 0.592 11.499 -7.199 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.989 9.140 -7.912 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.542 12.070 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.733 11.066 -8.203 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.566 10.471 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.733 11.239 -4.585 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.862 12.544 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.223 11.725 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.452 8.891 -5.298 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.930 9.291 -6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.373 8.487 -6.654 1.00 0.00 H new ATOM 237 N ARG A 19 -0.377 11.631 -10.014 1.00 0.00 N ATOM 238 CA ARG A 19 -0.277 11.967 -11.429 1.00 0.00 C ATOM 239 C ARG A 19 0.936 11.294 -12.065 1.00 0.00 C ATOM 240 O ARG A 19 1.597 10.465 -11.439 1.00 0.00 O ATOM 241 CB ARG A 19 -0.189 13.484 -11.608 1.00 0.00 C ATOM 242 CG ARG A 19 -1.476 14.112 -12.119 1.00 0.00 C ATOM 243 CD ARG A 19 -1.611 15.558 -11.669 1.00 0.00 C ATOM 244 NE ARG A 19 -2.659 15.724 -10.664 1.00 0.00 N ATOM 245 CZ ARG A 19 -3.221 16.893 -10.365 1.00 0.00 C ATOM 246 NH1 ARG A 19 -2.839 18.000 -10.990 1.00 0.00 N ATOM 247 NH2 ARG A 19 -4.168 16.955 -9.438 1.00 0.00 N ATOM 0 H ARG A 19 -0.171 12.404 -9.382 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.174 11.601 -11.929 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.074 13.940 -10.653 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.618 13.713 -12.303 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.497 14.066 -13.208 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.330 13.537 -11.759 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.660 15.901 -11.261 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.833 16.187 -12.531 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.979 14.895 -10.162 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.111 17.958 -11.703 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.273 18.893 -10.757 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.465 16.107 -8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.599 17.850 -9.208 1.00 0.00 H new ATOM 261 N SER A 20 1.222 11.656 -13.311 1.00 0.00 N ATOM 262 CA SER A 20 2.355 11.087 -14.032 1.00 0.00 C ATOM 263 C SER A 20 3.642 11.834 -13.700 1.00 0.00 C ATOM 264 O SER A 20 4.097 12.680 -14.470 1.00 0.00 O ATOM 265 CB SER A 20 2.101 11.131 -15.540 1.00 0.00 C ATOM 266 OG SER A 20 3.297 10.911 -16.266 1.00 0.00 O ATOM 0 H SER A 20 0.685 12.341 -13.843 1.00 0.00 H new ATOM 0 HA SER A 20 2.468 10.049 -13.719 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.364 10.375 -15.810 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.679 12.098 -15.813 1.00 0.00 H new ATOM 0 HG SER A 20 3.898 11.675 -16.145 1.00 0.00 H new ATOM 272 N GLY A 21 4.225 11.517 -12.548 1.00 0.00 N ATOM 273 CA GLY A 21 5.454 12.165 -12.134 1.00 0.00 C ATOM 274 C GLY A 21 5.302 13.669 -12.005 1.00 0.00 C ATOM 275 O GLY A 21 6.205 14.424 -12.367 1.00 0.00 O ATOM 0 H GLY A 21 3.867 10.822 -11.894 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.775 11.752 -11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.239 11.943 -12.856 1.00 0.00 H new ATOM 279 N GLU A 22 4.158 14.105 -11.490 1.00 0.00 N ATOM 280 CA GLU A 22 3.891 15.526 -11.315 1.00 0.00 C ATOM 281 C GLU A 22 4.244 15.976 -9.901 1.00 0.00 C ATOM 282 O GLU A 22 5.117 16.823 -9.707 1.00 0.00 O ATOM 283 CB GLU A 22 2.421 15.832 -11.607 1.00 0.00 C ATOM 284 CG GLU A 22 2.192 17.210 -12.207 1.00 0.00 C ATOM 285 CD GLU A 22 2.286 17.209 -13.721 1.00 0.00 C ATOM 286 OE1 GLU A 22 1.622 16.364 -14.356 1.00 0.00 O ATOM 287 OE2 GLU A 22 3.023 18.054 -14.270 1.00 0.00 O ATOM 0 H GLU A 22 3.400 13.493 -11.186 1.00 0.00 H new ATOM 0 HA GLU A 22 4.516 16.076 -12.019 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.031 15.078 -12.291 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.851 15.749 -10.682 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.209 17.574 -11.908 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.927 17.906 -11.801 1.00 0.00 H new ATOM 294 N GLU A 23 3.560 15.404 -8.915 1.00 0.00 N ATOM 295 CA GLU A 23 3.803 15.746 -7.518 1.00 0.00 C ATOM 296 C GLU A 23 3.383 14.604 -6.597 1.00 0.00 C ATOM 297 O GLU A 23 2.402 13.909 -6.862 1.00 0.00 O ATOM 298 CB GLU A 23 3.046 17.022 -7.146 1.00 0.00 C ATOM 299 CG GLU A 23 3.801 17.916 -6.177 1.00 0.00 C ATOM 300 CD GLU A 23 3.832 17.356 -4.769 1.00 0.00 C ATOM 301 OE1 GLU A 23 2.769 17.334 -4.114 1.00 0.00 O ATOM 302 OE2 GLU A 23 4.921 16.939 -4.319 1.00 0.00 O ATOM 0 H GLU A 23 2.834 14.702 -9.057 1.00 0.00 H new ATOM 0 HA GLU A 23 4.872 15.916 -7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.831 17.585 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.087 16.750 -6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.822 18.050 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.337 18.902 -6.162 1.00 0.00 H new ATOM 309 N LYS A 24 4.132 14.418 -5.516 1.00 0.00 N ATOM 310 CA LYS A 24 3.839 13.360 -4.556 1.00 0.00 C ATOM 311 C LYS A 24 3.253 13.939 -3.271 1.00 0.00 C ATOM 312 O LYS A 24 3.851 14.811 -2.643 1.00 0.00 O ATOM 313 CB LYS A 24 5.105 12.564 -4.237 1.00 0.00 C ATOM 314 CG LYS A 24 5.679 11.827 -5.436 1.00 0.00 C ATOM 315 CD LYS A 24 6.292 10.497 -5.030 1.00 0.00 C ATOM 316 CE LYS A 24 7.423 10.097 -5.964 1.00 0.00 C ATOM 317 NZ LYS A 24 7.799 8.665 -5.799 1.00 0.00 N ATOM 0 H LYS A 24 4.946 14.986 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 24 3.103 12.693 -5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.861 13.243 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.882 11.843 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.892 11.657 -6.171 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.436 12.446 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.668 10.565 -4.009 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.523 9.724 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.122 10.277 -6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.293 10.725 -5.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 8.628 8.453 -6.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 8.029 8.479 -4.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.003 8.061 -6.089 1.00 0.00 H new ATOM 331 N PHE A 25 2.080 13.447 -2.887 1.00 0.00 N ATOM 332 CA PHE A 25 1.414 13.916 -1.677 1.00 0.00 C ATOM 333 C PHE A 25 1.878 13.118 -0.459 1.00 0.00 C ATOM 334 O PHE A 25 1.925 11.888 -0.496 1.00 0.00 O ATOM 335 CB PHE A 25 -0.104 13.801 -1.828 1.00 0.00 C ATOM 336 CG PHE A 25 -0.638 14.469 -3.062 1.00 0.00 C ATOM 337 CD1 PHE A 25 -0.915 15.827 -3.067 1.00 0.00 C ATOM 338 CD2 PHE A 25 -0.862 13.739 -4.219 1.00 0.00 C ATOM 339 CE1 PHE A 25 -1.405 16.444 -4.202 1.00 0.00 C ATOM 340 CE2 PHE A 25 -1.352 14.351 -5.356 1.00 0.00 C ATOM 341 CZ PHE A 25 -1.625 15.705 -5.348 1.00 0.00 C ATOM 0 H PHE A 25 1.571 12.724 -3.396 1.00 0.00 H new ATOM 0 HA PHE A 25 1.678 14.963 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.380 12.747 -1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.582 14.239 -0.952 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.746 16.410 -2.173 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.651 12.680 -4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.616 17.503 -4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.522 13.771 -6.251 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.010 16.185 -6.236 1.00 0.00 H new ATOM 351 N PRO A 26 2.228 13.807 0.643 1.00 0.00 N ATOM 352 CA PRO A 26 2.688 13.148 1.869 1.00 0.00 C ATOM 353 C PRO A 26 1.549 12.471 2.626 1.00 0.00 C ATOM 354 O PRO A 26 0.438 12.998 2.695 1.00 0.00 O ATOM 355 CB PRO A 26 3.266 14.300 2.691 1.00 0.00 C ATOM 356 CG PRO A 26 2.508 15.499 2.240 1.00 0.00 C ATOM 357 CD PRO A 26 2.205 15.277 0.783 1.00 0.00 C ATOM 0 HA PRO A 26 3.403 12.352 1.662 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.137 14.128 3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.335 14.417 2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.590 15.619 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.094 16.407 2.382 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.235 15.691 0.508 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.948 15.752 0.142 1.00 0.00 H new ATOM 365 N GLY A 27 1.833 11.303 3.192 1.00 0.00 N ATOM 366 CA GLY A 27 0.822 10.575 3.936 1.00 0.00 C ATOM 367 C GLY A 27 1.418 9.529 4.856 1.00 0.00 C ATOM 368 O GLY A 27 2.458 8.944 4.551 1.00 0.00 O ATOM 0 H GLY A 27 2.745 10.848 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.232 11.278 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.139 10.092 3.237 1.00 0.00 H new ATOM 372 N VAL A 28 0.759 9.292 5.985 1.00 0.00 N ATOM 373 CA VAL A 28 1.230 8.309 6.954 1.00 0.00 C ATOM 374 C VAL A 28 0.637 6.932 6.668 1.00 0.00 C ATOM 375 O VAL A 28 -0.566 6.799 6.440 1.00 0.00 O ATOM 376 CB VAL A 28 0.875 8.727 8.395 1.00 0.00 C ATOM 377 CG1 VAL A 28 -0.632 8.830 8.571 1.00 0.00 C ATOM 378 CG2 VAL A 28 1.473 7.751 9.398 1.00 0.00 C ATOM 0 H VAL A 28 -0.103 9.767 6.252 1.00 0.00 H new ATOM 0 HA VAL A 28 2.315 8.260 6.859 1.00 0.00 H new ATOM 0 HB VAL A 28 1.304 9.712 8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.859 9.126 9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.029 9.575 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.090 7.863 8.363 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.212 8.063 10.409 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.079 6.752 9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.558 7.738 9.291 1.00 0.00 H new ATOM 388 N VAL A 29 1.488 5.912 6.681 1.00 0.00 N ATOM 389 CA VAL A 29 1.049 4.547 6.423 1.00 0.00 C ATOM 390 C VAL A 29 0.101 4.059 7.513 1.00 0.00 C ATOM 391 O VAL A 29 0.337 4.283 8.701 1.00 0.00 O ATOM 392 CB VAL A 29 2.244 3.578 6.326 1.00 0.00 C ATOM 393 CG1 VAL A 29 1.781 2.199 5.883 1.00 0.00 C ATOM 394 CG2 VAL A 29 3.302 4.124 5.378 1.00 0.00 C ATOM 0 H VAL A 29 2.486 6.006 6.868 1.00 0.00 H new ATOM 0 HA VAL A 29 0.525 4.560 5.467 1.00 0.00 H new ATOM 0 HB VAL A 29 2.691 3.484 7.316 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.639 1.530 5.821 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.066 1.806 6.606 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.306 2.272 4.905 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.137 3.425 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.870 4.252 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.658 5.087 5.745 1.00 0.00 H new ATOM 404 N ARG A 30 -0.974 3.392 7.103 1.00 0.00 N ATOM 405 CA ARG A 30 -1.958 2.872 8.046 1.00 0.00 C ATOM 406 C ARG A 30 -2.037 1.352 7.971 1.00 0.00 C ATOM 407 O ARG A 30 -2.193 0.677 8.989 1.00 0.00 O ATOM 408 CB ARG A 30 -3.335 3.480 7.766 1.00 0.00 C ATOM 409 CG ARG A 30 -3.313 4.992 7.610 1.00 0.00 C ATOM 410 CD ARG A 30 -2.873 5.679 8.893 1.00 0.00 C ATOM 411 NE ARG A 30 -4.010 6.041 9.737 1.00 0.00 N ATOM 412 CZ ARG A 30 -3.912 6.311 11.037 1.00 0.00 C ATOM 413 NH1 ARG A 30 -2.733 6.260 11.646 1.00 0.00 N ATOM 414 NH2 ARG A 30 -4.995 6.634 11.730 1.00 0.00 N ATOM 0 H ARG A 30 -1.185 3.199 6.124 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.642 3.151 9.051 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.741 3.035 6.857 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.011 3.217 8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.637 5.265 6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.306 5.344 7.330 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.205 5.019 9.447 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.304 6.575 8.648 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.933 6.090 9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.896 6.013 11.118 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.664 6.468 12.642 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.903 6.676 11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -4.920 6.841 12.726 1.00 0.00 H new ATOM 428 N PHE A 31 -1.929 0.815 6.759 1.00 0.00 N ATOM 429 CA PHE A 31 -1.991 -0.627 6.553 1.00 0.00 C ATOM 430 C PHE A 31 -1.027 -1.061 5.453 1.00 0.00 C ATOM 431 O PHE A 31 -0.516 -0.233 4.700 1.00 0.00 O ATOM 432 CB PHE A 31 -3.416 -1.052 6.195 1.00 0.00 C ATOM 433 CG PHE A 31 -3.648 -2.531 6.306 1.00 0.00 C ATOM 434 CD1 PHE A 31 -3.866 -3.122 7.540 1.00 0.00 C ATOM 435 CD2 PHE A 31 -3.650 -3.332 5.175 1.00 0.00 C ATOM 436 CE1 PHE A 31 -4.080 -4.483 7.645 1.00 0.00 C ATOM 437 CE2 PHE A 31 -3.864 -4.693 5.273 1.00 0.00 C ATOM 438 CZ PHE A 31 -4.079 -5.270 6.510 1.00 0.00 C ATOM 0 H PHE A 31 -1.798 1.358 5.905 1.00 0.00 H new ATOM 0 HA PHE A 31 -1.697 -1.114 7.483 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.116 -0.533 6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.636 -0.734 5.176 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.869 -2.511 8.431 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.482 -2.887 4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.248 -4.931 8.613 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.863 -5.306 4.384 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.246 -6.334 6.589 1.00 0.00 H new ATOM 448 N ARG A 32 -0.784 -2.365 5.366 1.00 0.00 N ATOM 449 CA ARG A 32 0.119 -2.908 4.359 1.00 0.00 C ATOM 450 C ARG A 32 -0.149 -4.393 4.135 1.00 0.00 C ATOM 451 O ARG A 32 -0.290 -5.159 5.088 1.00 0.00 O ATOM 452 CB ARG A 32 1.575 -2.698 4.779 1.00 0.00 C ATOM 453 CG ARG A 32 2.583 -3.232 3.775 1.00 0.00 C ATOM 454 CD ARG A 32 3.783 -3.859 4.469 1.00 0.00 C ATOM 455 NE ARG A 32 3.668 -5.313 4.553 1.00 0.00 N ATOM 456 CZ ARG A 32 4.371 -6.064 5.398 1.00 0.00 C ATOM 457 NH1 ARG A 32 5.239 -5.503 6.232 1.00 0.00 N ATOM 458 NH2 ARG A 32 4.205 -7.380 5.409 1.00 0.00 N ATOM 0 H ARG A 32 -1.200 -3.065 5.981 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.060 -2.378 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.751 -1.632 4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.740 -3.184 5.740 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.103 -3.973 3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.918 -2.421 3.128 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.692 -3.598 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.879 -3.444 5.472 1.00 0.00 H new ATOM 0 HE ARG A 32 3.011 -5.780 3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.370 -4.491 6.227 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.775 -6.084 6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.539 -7.815 4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.743 -7.957 6.056 1.00 0.00 H new ATOM 472 N GLY A 33 -0.218 -4.793 2.869 1.00 0.00 N ATOM 473 CA GLY A 33 -0.468 -6.184 2.544 1.00 0.00 C ATOM 474 C GLY A 33 -1.091 -6.357 1.171 1.00 0.00 C ATOM 475 O GLY A 33 -1.795 -5.469 0.691 1.00 0.00 O ATOM 0 H GLY A 33 -0.105 -4.178 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.470 -6.738 2.586 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.128 -6.617 3.296 1.00 0.00 H new ATOM 479 N PRO A 34 -0.849 -7.502 0.510 1.00 0.00 N ATOM 480 CA PRO A 34 -1.399 -7.776 -0.823 1.00 0.00 C ATOM 481 C PRO A 34 -2.916 -7.623 -0.864 1.00 0.00 C ATOM 482 O PRO A 34 -3.588 -7.718 0.162 1.00 0.00 O ATOM 483 CB PRO A 34 -1.002 -9.232 -1.082 1.00 0.00 C ATOM 484 CG PRO A 34 0.187 -9.464 -0.217 1.00 0.00 C ATOM 485 CD PRO A 34 -0.021 -8.616 1.007 1.00 0.00 C ATOM 0 HA PRO A 34 -1.020 -7.079 -1.571 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.814 -9.914 -0.829 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.764 -9.396 -2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.277 -10.517 0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.106 -9.186 -0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -0.525 -9.170 1.799 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.925 -8.262 1.417 1.00 0.00 H new ATOM 493 N LEU A 35 -3.447 -7.387 -2.059 1.00 0.00 N ATOM 494 CA LEU A 35 -4.886 -7.222 -2.238 1.00 0.00 C ATOM 495 C LEU A 35 -5.408 -8.160 -3.320 1.00 0.00 C ATOM 496 O LEU A 35 -5.605 -7.753 -4.465 1.00 0.00 O ATOM 497 CB LEU A 35 -5.212 -5.773 -2.603 1.00 0.00 C ATOM 498 CG LEU A 35 -4.685 -4.724 -1.623 1.00 0.00 C ATOM 499 CD1 LEU A 35 -5.031 -3.323 -2.104 1.00 0.00 C ATOM 500 CD2 LEU A 35 -5.248 -4.966 -0.231 1.00 0.00 C ATOM 0 H LEU A 35 -2.903 -7.306 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.376 -7.471 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.803 -5.563 -3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.294 -5.668 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.600 -4.811 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.648 -2.590 -1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.580 -3.152 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.114 -3.222 -2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.863 -4.211 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -6.336 -4.906 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.949 -5.955 0.115 1.00 0.00 H new ATOM 512 N LEU A 36 -5.631 -9.416 -2.951 1.00 0.00 N ATOM 513 CA LEU A 36 -6.130 -10.412 -3.893 1.00 0.00 C ATOM 514 C LEU A 36 -7.537 -10.865 -3.515 1.00 0.00 C ATOM 515 O LEU A 36 -7.920 -10.826 -2.346 1.00 0.00 O ATOM 516 CB LEU A 36 -5.184 -11.614 -3.943 1.00 0.00 C ATOM 517 CG LEU A 36 -4.703 -11.999 -5.342 1.00 0.00 C ATOM 518 CD1 LEU A 36 -3.420 -12.812 -5.261 1.00 0.00 C ATOM 519 CD2 LEU A 36 -5.782 -12.774 -6.082 1.00 0.00 C ATOM 0 H LEU A 36 -5.474 -9.769 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.174 -9.953 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.314 -11.399 -3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.688 -12.473 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.494 -11.085 -5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.093 -13.077 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.646 -12.222 -4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.601 -13.721 -4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.422 -13.040 -7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.023 -13.682 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.676 -12.157 -6.173 1.00 0.00 H new ATOM 531 N ALA A 37 -8.301 -11.295 -4.514 1.00 0.00 N ATOM 532 CA ALA A 37 -9.665 -11.758 -4.290 1.00 0.00 C ATOM 533 C ALA A 37 -10.211 -12.466 -5.525 1.00 0.00 C ATOM 534 O ALA A 37 -11.405 -12.393 -5.817 1.00 0.00 O ATOM 535 CB ALA A 37 -10.562 -10.589 -3.909 1.00 0.00 C ATOM 0 H ALA A 37 -7.998 -11.332 -5.487 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.651 -12.474 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.578 -10.948 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.188 -10.126 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.563 -9.854 -4.714 1.00 0.00 H new ATOM 541 N GLU A 38 -9.330 -13.152 -6.245 1.00 0.00 N ATOM 542 CA GLU A 38 -9.724 -13.875 -7.448 1.00 0.00 C ATOM 543 C GLU A 38 -8.589 -14.763 -7.947 1.00 0.00 C ATOM 544 O GLU A 38 -8.698 -15.989 -7.939 1.00 0.00 O ATOM 545 CB GLU A 38 -10.135 -12.891 -8.546 1.00 0.00 C ATOM 546 CG GLU A 38 -11.101 -13.482 -9.560 1.00 0.00 C ATOM 547 CD GLU A 38 -12.489 -13.695 -8.988 1.00 0.00 C ATOM 548 OE1 GLU A 38 -12.617 -13.754 -7.747 1.00 0.00 O ATOM 549 OE2 GLU A 38 -13.448 -13.799 -9.781 1.00 0.00 O ATOM 0 H GLU A 38 -8.338 -13.222 -6.016 1.00 0.00 H new ATOM 0 HA GLU A 38 -10.574 -14.509 -7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.594 -12.016 -8.086 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.242 -12.545 -9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.166 -12.820 -10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.709 -14.434 -9.917 1.00 0.00 H new ATOM 556 N ARG A 39 -7.500 -14.136 -8.380 1.00 0.00 N ATOM 557 CA ARG A 39 -6.344 -14.871 -8.882 1.00 0.00 C ATOM 558 C ARG A 39 -5.202 -13.920 -9.223 1.00 0.00 C ATOM 559 O ARG A 39 -4.169 -13.907 -8.554 1.00 0.00 O ATOM 560 CB ARG A 39 -6.732 -15.689 -10.117 1.00 0.00 C ATOM 561 CG ARG A 39 -6.565 -17.188 -9.928 1.00 0.00 C ATOM 562 CD ARG A 39 -7.706 -17.963 -10.569 1.00 0.00 C ATOM 563 NE ARG A 39 -7.969 -19.223 -9.879 1.00 0.00 N ATOM 564 CZ ARG A 39 -8.743 -20.188 -10.369 1.00 0.00 C ATOM 565 NH1 ARG A 39 -9.332 -20.042 -11.549 1.00 0.00 N ATOM 566 NH2 ARG A 39 -8.928 -21.304 -9.676 1.00 0.00 N ATOM 0 H ARG A 39 -7.394 -13.122 -8.393 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.005 -15.549 -8.098 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.770 -15.476 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.123 -15.367 -10.962 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.618 -17.507 -10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.520 -17.419 -8.864 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.608 -17.351 -10.562 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.465 -18.165 -11.613 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.534 -19.372 -8.968 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.193 -19.186 -12.086 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.924 -20.786 -11.919 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.477 -21.422 -8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.521 -22.044 -10.051 1.00 0.00 H new ATOM 580 N THR A 40 -5.399 -13.129 -10.267 1.00 0.00 N ATOM 581 CA THR A 40 -4.391 -12.171 -10.706 1.00 0.00 C ATOM 582 C THR A 40 -4.058 -11.181 -9.594 1.00 0.00 C ATOM 583 O THR A 40 -4.819 -11.028 -8.638 1.00 0.00 O ATOM 584 CB THR A 40 -4.878 -11.417 -11.945 1.00 0.00 C ATOM 585 OG1 THR A 40 -3.879 -10.532 -12.418 1.00 0.00 O ATOM 586 CG2 THR A 40 -6.131 -10.604 -11.697 1.00 0.00 C ATOM 0 H THR A 40 -6.250 -13.131 -10.829 1.00 0.00 H new ATOM 0 HA THR A 40 -3.487 -12.725 -10.958 1.00 0.00 H new ATOM 0 HB THR A 40 -5.104 -12.188 -12.682 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.209 -10.061 -13.211 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.422 -10.095 -12.616 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.937 -11.265 -11.378 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.938 -9.866 -10.919 1.00 0.00 H new ATOM 594 N VAL A 41 -2.917 -10.512 -9.726 1.00 0.00 N ATOM 595 CA VAL A 41 -2.484 -9.536 -8.732 1.00 0.00 C ATOM 596 C VAL A 41 -1.323 -8.697 -9.258 1.00 0.00 C ATOM 597 O VAL A 41 -0.531 -9.160 -10.079 1.00 0.00 O ATOM 598 CB VAL A 41 -2.059 -10.224 -7.419 1.00 0.00 C ATOM 599 CG1 VAL A 41 -0.881 -11.156 -7.656 1.00 0.00 C ATOM 600 CG2 VAL A 41 -1.725 -9.187 -6.356 1.00 0.00 C ATOM 0 H VAL A 41 -2.276 -10.628 -10.511 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.335 -8.885 -8.531 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.896 -10.823 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.598 -11.631 -6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.163 -11.922 -8.379 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.037 -10.585 -8.043 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.427 -9.691 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.907 -8.558 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.601 -8.568 -6.163 1.00 0.00 H new ATOM 610 N SER A 42 -1.230 -7.460 -8.780 1.00 0.00 N ATOM 611 CA SER A 42 -0.167 -6.556 -9.202 1.00 0.00 C ATOM 612 C SER A 42 1.042 -6.669 -8.279 1.00 0.00 C ATOM 613 O SER A 42 2.186 -6.610 -8.728 1.00 0.00 O ATOM 614 CB SER A 42 -0.674 -5.112 -9.224 1.00 0.00 C ATOM 615 OG SER A 42 0.231 -4.263 -9.908 1.00 0.00 O ATOM 0 H SER A 42 -1.878 -7.061 -8.100 1.00 0.00 H new ATOM 0 HA SER A 42 0.139 -6.841 -10.209 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.650 -5.073 -9.708 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.810 -4.756 -8.203 1.00 0.00 H new ATOM 0 HG SER A 42 -0.117 -3.347 -9.909 1.00 0.00 H new ATOM 621 N GLY A 43 0.780 -6.831 -6.987 1.00 0.00 N ATOM 622 CA GLY A 43 1.856 -6.949 -6.021 1.00 0.00 C ATOM 623 C GLY A 43 1.437 -6.518 -4.629 1.00 0.00 C ATOM 624 O GLY A 43 0.251 -6.519 -4.303 1.00 0.00 O ATOM 0 H GLY A 43 -0.159 -6.883 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.200 -7.983 -5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.701 -6.342 -6.347 1.00 0.00 H new ATOM 628 N ILE A 44 2.413 -6.148 -3.807 1.00 0.00 N ATOM 629 CA ILE A 44 2.140 -5.712 -2.442 1.00 0.00 C ATOM 630 C ILE A 44 1.568 -4.299 -2.423 1.00 0.00 C ATOM 631 O ILE A 44 1.988 -3.438 -3.196 1.00 0.00 O ATOM 632 CB ILE A 44 3.412 -5.751 -1.573 1.00 0.00 C ATOM 633 CG1 ILE A 44 4.153 -7.075 -1.767 1.00 0.00 C ATOM 634 CG2 ILE A 44 3.056 -5.546 -0.108 1.00 0.00 C ATOM 635 CD1 ILE A 44 3.309 -8.291 -1.452 1.00 0.00 C ATOM 0 H ILE A 44 3.401 -6.141 -4.062 1.00 0.00 H new ATOM 0 HA ILE A 44 1.407 -6.405 -2.029 1.00 0.00 H new ATOM 0 HB ILE A 44 4.072 -4.941 -1.885 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.500 -7.140 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.039 -7.083 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.964 -5.576 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.570 -4.579 0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.379 -6.337 0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.898 -9.194 -1.611 1.00 0.00 H new ATOM 0 HD12 ILE A 44 2.984 -8.249 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.436 -8.307 -2.105 1.00 0.00 H new ATOM 647 N PHE A 45 0.607 -4.068 -1.535 1.00 0.00 N ATOM 648 CA PHE A 45 -0.024 -2.758 -1.416 1.00 0.00 C ATOM 649 C PHE A 45 0.280 -2.128 -0.060 1.00 0.00 C ATOM 650 O PHE A 45 0.276 -2.808 0.967 1.00 0.00 O ATOM 651 CB PHE A 45 -1.536 -2.877 -1.608 1.00 0.00 C ATOM 652 CG PHE A 45 -1.938 -3.179 -3.024 1.00 0.00 C ATOM 653 CD1 PHE A 45 -2.023 -4.488 -3.470 1.00 0.00 C ATOM 654 CD2 PHE A 45 -2.231 -2.152 -3.908 1.00 0.00 C ATOM 655 CE1 PHE A 45 -2.393 -4.768 -4.771 1.00 0.00 C ATOM 656 CE2 PHE A 45 -2.602 -2.427 -5.211 1.00 0.00 C ATOM 657 CZ PHE A 45 -2.681 -3.737 -5.643 1.00 0.00 C ATOM 0 H PHE A 45 0.248 -4.770 -0.888 1.00 0.00 H new ATOM 0 HA PHE A 45 0.384 -2.114 -2.195 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.917 -3.663 -0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.008 -1.946 -1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.797 -5.299 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.169 -1.126 -3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.457 -5.793 -5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.830 -1.619 -5.890 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.968 -3.954 -6.661 1.00 0.00 H new ATOM 667 N PHE A 46 0.544 -0.826 -0.064 1.00 0.00 N ATOM 668 CA PHE A 46 0.851 -0.102 1.165 1.00 0.00 C ATOM 669 C PHE A 46 -0.147 1.027 1.396 1.00 0.00 C ATOM 670 O PHE A 46 -0.147 2.025 0.676 1.00 0.00 O ATOM 671 CB PHE A 46 2.272 0.462 1.108 1.00 0.00 C ATOM 672 CG PHE A 46 3.340 -0.578 1.291 1.00 0.00 C ATOM 673 CD1 PHE A 46 3.432 -1.656 0.426 1.00 0.00 C ATOM 674 CD2 PHE A 46 4.253 -0.477 2.329 1.00 0.00 C ATOM 675 CE1 PHE A 46 4.414 -2.615 0.592 1.00 0.00 C ATOM 676 CE2 PHE A 46 5.238 -1.432 2.500 1.00 0.00 C ATOM 677 CZ PHE A 46 5.318 -2.502 1.631 1.00 0.00 C ATOM 0 H PHE A 46 0.552 -0.249 -0.905 1.00 0.00 H new ATOM 0 HA PHE A 46 0.778 -0.802 1.997 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.419 0.957 0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.383 1.224 1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.728 -1.748 -0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.194 0.357 3.012 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.474 -3.451 -0.089 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.944 -1.341 3.312 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.086 -3.250 1.763 1.00 0.00 H new ATOM 687 N GLY A 47 -0.997 0.863 2.405 1.00 0.00 N ATOM 688 CA GLY A 47 -1.989 1.877 2.713 1.00 0.00 C ATOM 689 C GLY A 47 -1.375 3.117 3.333 1.00 0.00 C ATOM 690 O GLY A 47 -0.620 3.025 4.301 1.00 0.00 O ATOM 0 H GLY A 47 -1.016 0.046 3.015 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.517 2.154 1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.730 1.461 3.396 1.00 0.00 H new ATOM 694 N VAL A 48 -1.700 4.278 2.775 1.00 0.00 N ATOM 695 CA VAL A 48 -1.175 5.542 3.278 1.00 0.00 C ATOM 696 C VAL A 48 -2.266 6.607 3.330 1.00 0.00 C ATOM 697 O VAL A 48 -3.062 6.740 2.400 1.00 0.00 O ATOM 698 CB VAL A 48 -0.015 6.055 2.406 1.00 0.00 C ATOM 699 CG1 VAL A 48 0.648 7.262 3.052 1.00 0.00 C ATOM 700 CG2 VAL A 48 1.000 4.948 2.162 1.00 0.00 C ATOM 0 H VAL A 48 -2.325 4.370 1.974 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.806 5.353 4.286 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.420 6.365 1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.465 7.610 2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.085 8.060 3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.039 6.982 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.813 5.329 1.544 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.400 4.605 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.515 4.116 1.651 1.00 0.00 H new ATOM 710 N GLU A 49 -2.296 7.363 4.421 1.00 0.00 N ATOM 711 CA GLU A 49 -3.289 8.417 4.594 1.00 0.00 C ATOM 712 C GLU A 49 -2.741 9.763 4.132 1.00 0.00 C ATOM 713 O GLU A 49 -1.791 10.289 4.711 1.00 0.00 O ATOM 714 CB GLU A 49 -3.720 8.505 6.059 1.00 0.00 C ATOM 715 CG GLU A 49 -4.852 9.491 6.302 1.00 0.00 C ATOM 716 CD GLU A 49 -5.099 9.742 7.776 1.00 0.00 C ATOM 717 OE1 GLU A 49 -4.279 10.444 8.405 1.00 0.00 O ATOM 718 OE2 GLU A 49 -6.114 9.239 8.303 1.00 0.00 O ATOM 0 H GLU A 49 -1.644 7.266 5.199 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.156 8.169 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.031 7.517 6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.861 8.794 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.618 10.435 5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.765 9.111 5.844 1.00 0.00 H new ATOM 725 N LEU A 50 -3.346 10.316 3.086 1.00 0.00 N ATOM 726 CA LEU A 50 -2.918 11.601 2.546 1.00 0.00 C ATOM 727 C LEU A 50 -3.011 12.695 3.605 1.00 0.00 C ATOM 728 O LEU A 50 -4.033 12.839 4.275 1.00 0.00 O ATOM 729 CB LEU A 50 -3.769 11.977 1.331 1.00 0.00 C ATOM 730 CG LEU A 50 -3.485 11.166 0.065 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.426 11.578 -1.055 1.00 0.00 C ATOM 732 CD2 LEU A 50 -2.036 11.336 -0.363 1.00 0.00 C ATOM 0 H LEU A 50 -4.134 9.894 2.595 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.877 11.508 2.237 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.821 11.858 1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.613 13.033 1.110 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.656 10.112 0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.209 10.991 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.457 11.403 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.288 12.637 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.852 10.752 -1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.837 12.389 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.378 10.989 0.434 1.00 0.00 H new ATOM 744 N LEU A 51 -1.937 13.463 3.749 1.00 0.00 N ATOM 745 CA LEU A 51 -1.895 14.545 4.727 1.00 0.00 C ATOM 746 C LEU A 51 -2.669 15.760 4.226 1.00 0.00 C ATOM 747 O LEU A 51 -3.227 15.745 3.130 1.00 0.00 O ATOM 748 CB LEU A 51 -0.445 14.934 5.026 1.00 0.00 C ATOM 749 CG LEU A 51 0.204 14.167 6.179 1.00 0.00 C ATOM 750 CD1 LEU A 51 1.669 14.554 6.319 1.00 0.00 C ATOM 751 CD2 LEU A 51 -0.544 14.424 7.478 1.00 0.00 C ATOM 0 H LEU A 51 -1.083 13.357 3.201 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.365 14.192 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.150 14.779 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.410 16.000 5.253 1.00 0.00 H new ATOM 0 HG LEU A 51 0.150 13.101 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.115 13.999 7.144 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.198 14.318 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.746 15.623 6.518 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.068 13.870 8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.522 15.490 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.578 14.096 7.373 1.00 0.00 H new ATOM 763 N GLU A 52 -2.698 16.813 5.039 1.00 0.00 N ATOM 764 CA GLU A 52 -3.403 18.040 4.681 1.00 0.00 C ATOM 765 C GLU A 52 -2.937 18.565 3.326 1.00 0.00 C ATOM 766 O GLU A 52 -3.700 19.204 2.601 1.00 0.00 O ATOM 767 CB GLU A 52 -3.188 19.107 5.755 1.00 0.00 C ATOM 768 CG GLU A 52 -1.730 19.498 5.942 1.00 0.00 C ATOM 769 CD GLU A 52 -1.492 20.981 5.734 1.00 0.00 C ATOM 770 OE1 GLU A 52 -1.791 21.765 6.658 1.00 0.00 O ATOM 771 OE2 GLU A 52 -1.004 21.357 4.648 1.00 0.00 O ATOM 0 H GLU A 52 -2.241 16.841 5.951 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.466 17.810 4.613 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.763 19.995 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.582 18.741 6.703 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.409 19.220 6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.114 18.933 5.242 1.00 0.00 H new ATOM 778 N GLU A 53 -1.680 18.292 2.991 1.00 0.00 N ATOM 779 CA GLU A 53 -1.113 18.736 1.723 1.00 0.00 C ATOM 780 C GLU A 53 -1.864 18.123 0.545 1.00 0.00 C ATOM 781 O GLU A 53 -2.158 18.802 -0.438 1.00 0.00 O ATOM 782 CB GLU A 53 0.370 18.367 1.646 1.00 0.00 C ATOM 783 CG GLU A 53 1.162 19.229 0.678 1.00 0.00 C ATOM 784 CD GLU A 53 2.442 18.560 0.215 1.00 0.00 C ATOM 785 OE1 GLU A 53 2.377 17.742 -0.727 1.00 0.00 O ATOM 786 OE2 GLU A 53 3.508 18.853 0.795 1.00 0.00 O ATOM 0 H GLU A 53 -1.035 17.765 3.580 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.214 19.820 1.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.809 18.454 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.461 17.323 1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.542 19.459 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.405 20.178 1.157 1.00 0.00 H new ATOM 793 N GLY A 54 -2.171 16.834 0.654 1.00 0.00 N ATOM 794 CA GLY A 54 -2.885 16.150 -0.409 1.00 0.00 C ATOM 795 C GLY A 54 -4.164 15.498 0.079 1.00 0.00 C ATOM 796 O GLY A 54 -4.552 14.435 -0.408 1.00 0.00 O ATOM 0 H GLY A 54 -1.938 16.252 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.122 16.862 -1.200 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.238 15.390 -0.847 1.00 0.00 H new ATOM 800 N ARG A 55 -4.822 16.136 1.042 1.00 0.00 N ATOM 801 CA ARG A 55 -6.064 15.612 1.595 1.00 0.00 C ATOM 802 C ARG A 55 -7.226 15.838 0.632 1.00 0.00 C ATOM 803 O ARG A 55 -7.404 16.935 0.104 1.00 0.00 O ATOM 804 CB ARG A 55 -6.364 16.271 2.944 1.00 0.00 C ATOM 805 CG ARG A 55 -6.525 15.278 4.083 1.00 0.00 C ATOM 806 CD ARG A 55 -5.985 15.836 5.390 1.00 0.00 C ATOM 807 NE ARG A 55 -6.237 14.940 6.516 1.00 0.00 N ATOM 808 CZ ARG A 55 -7.406 14.851 7.146 1.00 0.00 C ATOM 809 NH1 ARG A 55 -8.433 15.601 6.764 1.00 0.00 N ATOM 810 NH2 ARG A 55 -7.549 14.010 8.161 1.00 0.00 N ATOM 0 H ARG A 55 -4.515 17.017 1.455 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.944 14.539 1.743 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.558 16.964 3.188 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.276 16.861 2.856 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -7.579 15.027 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.002 14.353 3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.912 16.006 5.295 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.445 16.804 5.588 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.472 14.348 6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.328 16.250 5.984 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -9.326 15.528 7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -6.763 13.432 8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -8.445 13.941 8.644 1.00 0.00 H new ATOM 824 N GLY A 56 -8.014 14.791 0.407 1.00 0.00 N ATOM 825 CA GLY A 56 -9.147 14.896 -0.494 1.00 0.00 C ATOM 826 C GLY A 56 -8.844 14.348 -1.874 1.00 0.00 C ATOM 827 O GLY A 56 -9.405 14.808 -2.868 1.00 0.00 O ATOM 0 H GLY A 56 -7.888 13.872 0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.995 14.357 -0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.444 15.941 -0.579 1.00 0.00 H new ATOM 831 N GLN A 57 -7.955 13.361 -1.934 1.00 0.00 N ATOM 832 CA GLN A 57 -7.577 12.749 -3.202 1.00 0.00 C ATOM 833 C GLN A 57 -7.404 11.241 -3.048 1.00 0.00 C ATOM 834 O GLN A 57 -6.565 10.632 -3.711 1.00 0.00 O ATOM 835 CB GLN A 57 -6.282 13.371 -3.728 1.00 0.00 C ATOM 836 CG GLN A 57 -6.422 14.837 -4.104 1.00 0.00 C ATOM 837 CD GLN A 57 -6.548 15.043 -5.601 1.00 0.00 C ATOM 838 OE1 GLN A 57 -7.474 15.704 -6.073 1.00 0.00 O ATOM 839 NE2 GLN A 57 -5.614 14.478 -6.358 1.00 0.00 N ATOM 0 H GLN A 57 -7.483 12.969 -1.119 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.377 12.934 -3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.506 13.271 -2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.948 12.811 -4.601 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.299 15.254 -3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.556 15.387 -3.736 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.864 13.939 -5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.647 14.584 -7.372 1.00 0.00 H new ATOM 848 N GLY A 58 -8.204 10.645 -2.170 1.00 0.00 N ATOM 849 CA GLY A 58 -8.122 9.214 -1.945 1.00 0.00 C ATOM 850 C GLY A 58 -9.194 8.446 -2.693 1.00 0.00 C ATOM 851 O GLY A 58 -10.268 8.979 -2.971 1.00 0.00 O ATOM 0 H GLY A 58 -8.907 11.127 -1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.140 8.856 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.212 9.012 -0.878 1.00 0.00 H new ATOM 855 N PHE A 59 -8.902 7.191 -3.020 1.00 0.00 N ATOM 856 CA PHE A 59 -9.849 6.348 -3.740 1.00 0.00 C ATOM 857 C PHE A 59 -10.392 5.245 -2.838 1.00 0.00 C ATOM 858 O PHE A 59 -11.604 5.052 -2.736 1.00 0.00 O ATOM 859 CB PHE A 59 -9.184 5.735 -4.974 1.00 0.00 C ATOM 860 CG PHE A 59 -7.821 5.162 -4.702 1.00 0.00 C ATOM 861 CD1 PHE A 59 -6.701 5.978 -4.698 1.00 0.00 C ATOM 862 CD2 PHE A 59 -7.662 3.808 -4.452 1.00 0.00 C ATOM 863 CE1 PHE A 59 -5.447 5.453 -4.448 1.00 0.00 C ATOM 864 CE2 PHE A 59 -6.411 3.278 -4.201 1.00 0.00 C ATOM 865 CZ PHE A 59 -5.301 4.103 -4.200 1.00 0.00 C ATOM 0 H PHE A 59 -8.017 6.736 -2.798 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.683 6.973 -4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.827 4.949 -5.370 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.100 6.498 -5.748 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -6.809 7.035 -4.892 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.526 3.160 -4.453 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.582 6.099 -4.447 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.300 2.222 -4.006 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.322 3.692 -4.005 1.00 0.00 H new ATOM 875 N THR A 60 -9.486 4.522 -2.185 1.00 0.00 N ATOM 876 CA THR A 60 -9.877 3.437 -1.292 1.00 0.00 C ATOM 877 C THR A 60 -10.618 3.975 -0.072 1.00 0.00 C ATOM 878 O THR A 60 -11.685 3.477 0.287 1.00 0.00 O ATOM 879 CB THR A 60 -8.645 2.643 -0.848 1.00 0.00 C ATOM 880 OG1 THR A 60 -9.010 1.623 0.064 1.00 0.00 O ATOM 881 CG2 THR A 60 -7.587 3.497 -0.182 1.00 0.00 C ATOM 0 H THR A 60 -8.479 4.668 -2.258 1.00 0.00 H new ATOM 0 HA THR A 60 -10.549 2.775 -1.839 1.00 0.00 H new ATOM 0 HB THR A 60 -8.226 2.225 -1.763 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.945 1.370 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.743 2.871 0.107 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.248 4.265 -0.878 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.007 3.971 0.705 1.00 0.00 H new ATOM 889 N ASP A 61 -10.049 4.996 0.559 1.00 0.00 N ATOM 890 CA ASP A 61 -10.659 5.604 1.736 1.00 0.00 C ATOM 891 C ASP A 61 -10.812 4.588 2.866 1.00 0.00 C ATOM 892 O ASP A 61 -11.657 4.750 3.747 1.00 0.00 O ATOM 893 CB ASP A 61 -12.024 6.194 1.380 1.00 0.00 C ATOM 894 CG ASP A 61 -12.596 7.044 2.497 1.00 0.00 C ATOM 895 OD1 ASP A 61 -12.265 8.247 2.557 1.00 0.00 O ATOM 896 OD2 ASP A 61 -13.377 6.508 3.311 1.00 0.00 O ATOM 0 H ASP A 61 -9.166 5.420 0.275 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.001 6.402 2.080 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.931 6.799 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.718 5.385 1.151 1.00 0.00 H new ATOM 901 N GLY A 62 -9.990 3.543 2.839 1.00 0.00 N ATOM 902 CA GLY A 62 -10.054 2.525 3.872 1.00 0.00 C ATOM 903 C GLY A 62 -10.737 1.255 3.400 1.00 0.00 C ATOM 904 O GLY A 62 -10.400 0.160 3.849 1.00 0.00 O ATOM 0 H GLY A 62 -9.282 3.383 2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.044 2.287 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.589 2.922 4.735 1.00 0.00 H new ATOM 908 N VAL A 63 -11.700 1.402 2.497 1.00 0.00 N ATOM 909 CA VAL A 63 -12.432 0.256 1.970 1.00 0.00 C ATOM 910 C VAL A 63 -11.961 -0.100 0.563 1.00 0.00 C ATOM 911 O VAL A 63 -11.809 0.773 -0.292 1.00 0.00 O ATOM 912 CB VAL A 63 -13.952 0.520 1.947 1.00 0.00 C ATOM 913 CG1 VAL A 63 -14.286 1.691 1.032 1.00 0.00 C ATOM 914 CG2 VAL A 63 -14.706 -0.733 1.523 1.00 0.00 C ATOM 0 H VAL A 63 -11.992 2.302 2.115 1.00 0.00 H new ATOM 0 HA VAL A 63 -12.230 -0.582 2.637 1.00 0.00 H new ATOM 0 HB VAL A 63 -14.268 0.783 2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -15.363 1.857 1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.780 2.588 1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -13.954 1.467 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -15.776 -0.528 1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -14.384 -1.031 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -14.498 -1.539 2.227 1.00 0.00 H new ATOM 924 N TYR A 64 -11.731 -1.388 0.331 1.00 0.00 N ATOM 925 CA TYR A 64 -11.277 -1.863 -0.972 1.00 0.00 C ATOM 926 C TYR A 64 -12.285 -2.834 -1.578 1.00 0.00 C ATOM 927 O TYR A 64 -12.446 -3.957 -1.099 1.00 0.00 O ATOM 928 CB TYR A 64 -9.912 -2.541 -0.843 1.00 0.00 C ATOM 929 CG TYR A 64 -9.235 -2.801 -2.170 1.00 0.00 C ATOM 930 CD1 TYR A 64 -8.608 -1.773 -2.864 1.00 0.00 C ATOM 931 CD2 TYR A 64 -9.224 -4.073 -2.729 1.00 0.00 C ATOM 932 CE1 TYR A 64 -7.989 -2.007 -4.077 1.00 0.00 C ATOM 933 CE2 TYR A 64 -8.606 -4.314 -3.941 1.00 0.00 C ATOM 934 CZ TYR A 64 -7.990 -3.279 -4.612 1.00 0.00 C ATOM 935 OH TYR A 64 -7.374 -3.514 -5.819 1.00 0.00 O ATOM 0 H TYR A 64 -11.851 -2.122 1.028 1.00 0.00 H new ATOM 0 HA TYR A 64 -11.186 -1.002 -1.634 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.262 -1.916 -0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -10.034 -3.487 -0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -8.605 -0.776 -2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.706 -4.887 -2.208 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -7.506 -1.197 -4.604 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -8.605 -5.309 -4.361 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.465 -4.461 -6.054 1.00 0.00 H new ATOM 945 N GLN A 65 -12.961 -2.395 -2.634 1.00 0.00 N ATOM 946 CA GLN A 65 -13.954 -3.225 -3.306 1.00 0.00 C ATOM 947 C GLN A 65 -15.078 -3.613 -2.350 1.00 0.00 C ATOM 948 O GLN A 65 -15.707 -4.659 -2.509 1.00 0.00 O ATOM 949 CB GLN A 65 -13.296 -4.485 -3.873 1.00 0.00 C ATOM 950 CG GLN A 65 -12.582 -4.256 -5.196 1.00 0.00 C ATOM 951 CD GLN A 65 -13.061 -5.193 -6.288 1.00 0.00 C ATOM 952 OE1 GLN A 65 -12.700 -6.369 -6.315 1.00 0.00 O ATOM 953 NE2 GLN A 65 -13.878 -4.673 -7.197 1.00 0.00 N ATOM 0 H GLN A 65 -12.839 -1.469 -3.043 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.381 -2.645 -4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.581 -4.870 -3.146 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.058 -5.253 -4.009 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.736 -3.225 -5.514 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.510 -4.389 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.151 -3.692 -7.136 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -14.232 -5.254 -7.957 1.00 0.00 H new ATOM 962 N GLY A 66 -15.327 -2.764 -1.358 1.00 0.00 N ATOM 963 CA GLY A 66 -16.375 -3.038 -0.393 1.00 0.00 C ATOM 964 C GLY A 66 -15.863 -3.773 0.830 1.00 0.00 C ATOM 965 O GLY A 66 -16.626 -4.452 1.518 1.00 0.00 O ATOM 0 H GLY A 66 -14.822 -1.891 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -16.833 -2.099 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.156 -3.631 -0.869 1.00 0.00 H new ATOM 969 N LYS A 67 -14.569 -3.637 1.105 1.00 0.00 N ATOM 970 CA LYS A 67 -13.959 -4.293 2.254 1.00 0.00 C ATOM 971 C LYS A 67 -13.098 -3.314 3.045 1.00 0.00 C ATOM 972 O LYS A 67 -12.038 -2.890 2.584 1.00 0.00 O ATOM 973 CB LYS A 67 -13.112 -5.483 1.799 1.00 0.00 C ATOM 974 CG LYS A 67 -12.754 -6.441 2.923 1.00 0.00 C ATOM 975 CD LYS A 67 -12.510 -7.847 2.399 1.00 0.00 C ATOM 976 CE LYS A 67 -13.061 -8.900 3.349 1.00 0.00 C ATOM 977 NZ LYS A 67 -11.984 -9.544 4.149 1.00 0.00 N ATOM 0 H LYS A 67 -13.924 -3.078 0.547 1.00 0.00 H new ATOM 0 HA LYS A 67 -14.758 -4.652 2.902 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.653 -6.029 1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.194 -5.112 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.862 -6.083 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.559 -6.460 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.978 -7.958 1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.440 -8.004 2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.786 -8.440 4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.594 -9.661 2.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.401 -10.255 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.306 -10.005 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.492 -8.822 4.713 1.00 0.00 H new ATOM 991 N GLN A 68 -13.560 -2.960 4.239 1.00 0.00 N ATOM 992 CA GLN A 68 -12.833 -2.031 5.097 1.00 0.00 C ATOM 993 C GLN A 68 -11.556 -2.669 5.631 1.00 0.00 C ATOM 994 O GLN A 68 -11.578 -3.378 6.637 1.00 0.00 O ATOM 995 CB GLN A 68 -13.718 -1.580 6.260 1.00 0.00 C ATOM 996 CG GLN A 68 -13.383 -0.189 6.776 1.00 0.00 C ATOM 997 CD GLN A 68 -14.035 0.908 5.958 1.00 0.00 C ATOM 998 OE1 GLN A 68 -15.065 0.693 5.319 1.00 0.00 O ATOM 999 NE2 GLN A 68 -13.437 2.094 5.975 1.00 0.00 N ATOM 0 H GLN A 68 -14.435 -3.302 4.635 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.560 -1.161 4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -14.760 -1.599 5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.622 -2.295 7.077 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.704 -0.103 7.814 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.302 -0.052 6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.584 2.228 6.519 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.830 2.871 5.444 1.00 0.00 H new ATOM 1008 N LEU A 69 -10.443 -2.414 4.952 1.00 0.00 N ATOM 1009 CA LEU A 69 -9.155 -2.964 5.358 1.00 0.00 C ATOM 1010 C LEU A 69 -8.526 -2.120 6.463 1.00 0.00 C ATOM 1011 O LEU A 69 -7.900 -2.647 7.380 1.00 0.00 O ATOM 1012 CB LEU A 69 -8.210 -3.042 4.158 1.00 0.00 C ATOM 1013 CG LEU A 69 -8.614 -4.046 3.079 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -7.619 -4.024 1.929 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -8.721 -5.445 3.667 1.00 0.00 C ATOM 0 H LEU A 69 -10.407 -1.829 4.117 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.323 -3.969 5.745 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.141 -2.053 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.213 -3.299 4.516 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.592 -3.760 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.923 -4.745 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.592 -3.026 1.491 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.628 -4.284 2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.010 -6.147 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.757 -5.740 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.473 -5.452 4.456 1.00 0.00 H new ATOM 1027 N PHE A 70 -8.698 -0.805 6.366 1.00 0.00 N ATOM 1028 CA PHE A 70 -8.148 0.112 7.356 1.00 0.00 C ATOM 1029 C PHE A 70 -9.031 1.348 7.502 1.00 0.00 C ATOM 1030 O PHE A 70 -9.896 1.607 6.665 1.00 0.00 O ATOM 1031 CB PHE A 70 -6.729 0.527 6.965 1.00 0.00 C ATOM 1032 CG PHE A 70 -6.655 1.259 5.654 1.00 0.00 C ATOM 1033 CD1 PHE A 70 -7.023 0.632 4.473 1.00 0.00 C ATOM 1034 CD2 PHE A 70 -6.217 2.572 5.603 1.00 0.00 C ATOM 1035 CE1 PHE A 70 -6.955 1.303 3.267 1.00 0.00 C ATOM 1036 CE2 PHE A 70 -6.147 3.248 4.399 1.00 0.00 C ATOM 1037 CZ PHE A 70 -6.517 2.612 3.230 1.00 0.00 C ATOM 0 H PHE A 70 -9.214 -0.352 5.612 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.116 -0.405 8.315 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.316 1.161 7.749 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.101 -0.362 6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.366 -0.392 4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.927 3.074 6.514 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.244 0.804 2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.804 4.272 4.373 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.464 3.138 2.288 1.00 0.00 H new ATOM 1047 N GLN A 71 -8.807 2.107 8.570 1.00 0.00 N ATOM 1048 CA GLN A 71 -9.583 3.315 8.825 1.00 0.00 C ATOM 1049 C GLN A 71 -8.829 4.555 8.357 1.00 0.00 C ATOM 1050 O GLN A 71 -7.668 4.759 8.711 1.00 0.00 O ATOM 1051 CB GLN A 71 -9.908 3.430 10.317 1.00 0.00 C ATOM 1052 CG GLN A 71 -11.337 3.035 10.659 1.00 0.00 C ATOM 1053 CD GLN A 71 -12.171 4.210 11.131 1.00 0.00 C ATOM 1054 OE1 GLN A 71 -12.084 4.623 12.288 1.00 0.00 O ATOM 1055 NE2 GLN A 71 -12.987 4.754 10.236 1.00 0.00 N ATOM 0 H GLN A 71 -8.095 1.907 9.272 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.514 3.247 8.262 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.220 2.799 10.880 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.736 4.457 10.640 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.807 2.590 9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -11.322 2.270 11.435 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.027 4.379 9.288 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -13.574 5.547 10.496 1.00 0.00 H new ATOM 1064 N CYS A 72 -9.498 5.381 7.559 1.00 0.00 N ATOM 1065 CA CYS A 72 -8.892 6.603 7.043 1.00 0.00 C ATOM 1066 C CYS A 72 -9.936 7.708 6.903 1.00 0.00 C ATOM 1067 O CYS A 72 -11.138 7.447 6.931 1.00 0.00 O ATOM 1068 CB CYS A 72 -8.226 6.333 5.691 1.00 0.00 C ATOM 1069 SG CYS A 72 -6.426 6.507 5.709 1.00 0.00 S ATOM 0 H CYS A 72 -10.460 5.226 7.256 1.00 0.00 H new ATOM 0 HA CYS A 72 -8.133 6.935 7.752 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.480 5.323 5.368 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.639 7.018 4.951 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.051 7.022 6.842 1.00 0.00 H new ATOM 1075 N ASP A 73 -9.466 8.942 6.752 1.00 0.00 N ATOM 1076 CA ASP A 73 -10.359 10.086 6.609 1.00 0.00 C ATOM 1077 C ASP A 73 -10.983 10.119 5.217 1.00 0.00 C ATOM 1078 O ASP A 73 -10.636 9.315 4.352 1.00 0.00 O ATOM 1079 CB ASP A 73 -9.598 11.388 6.873 1.00 0.00 C ATOM 1080 CG ASP A 73 -9.909 11.972 8.237 1.00 0.00 C ATOM 1081 OD1 ASP A 73 -10.049 11.190 9.200 1.00 0.00 O ATOM 1082 OD2 ASP A 73 -10.013 13.212 8.341 1.00 0.00 O ATOM 0 H ASP A 73 -8.473 9.175 6.726 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.159 9.986 7.342 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.527 11.202 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.851 12.116 6.103 1.00 0.00 H new ATOM 1087 N GLU A 74 -11.907 11.052 5.010 1.00 0.00 N ATOM 1088 CA GLU A 74 -12.581 11.189 3.725 1.00 0.00 C ATOM 1089 C GLU A 74 -11.587 11.547 2.625 1.00 0.00 C ATOM 1090 O GLU A 74 -11.011 12.634 2.624 1.00 0.00 O ATOM 1091 CB GLU A 74 -13.672 12.259 3.809 1.00 0.00 C ATOM 1092 CG GLU A 74 -14.449 12.440 2.516 1.00 0.00 C ATOM 1093 CD GLU A 74 -15.917 12.734 2.754 1.00 0.00 C ATOM 1094 OE1 GLU A 74 -16.637 11.825 3.218 1.00 0.00 O ATOM 1095 OE2 GLU A 74 -16.346 13.874 2.478 1.00 0.00 O ATOM 0 H GLU A 74 -12.206 11.724 5.716 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.039 10.231 3.479 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -14.367 11.995 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -13.216 13.210 4.085 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.008 13.255 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.356 11.538 1.911 1.00 0.00 H new ATOM 1102 N ASP A 75 -11.391 10.623 1.689 1.00 0.00 N ATOM 1103 CA ASP A 75 -10.467 10.841 0.582 1.00 0.00 C ATOM 1104 C ASP A 75 -9.049 11.077 1.096 1.00 0.00 C ATOM 1105 O ASP A 75 -8.418 12.084 0.771 1.00 0.00 O ATOM 1106 CB ASP A 75 -10.923 12.030 -0.264 1.00 0.00 C ATOM 1107 CG ASP A 75 -11.918 11.630 -1.337 1.00 0.00 C ATOM 1108 OD1 ASP A 75 -11.883 10.459 -1.771 1.00 0.00 O ATOM 1109 OD2 ASP A 75 -12.731 12.486 -1.743 1.00 0.00 O ATOM 0 H ASP A 75 -11.859 9.717 1.675 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.464 9.945 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.374 12.781 0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.055 12.493 -0.732 1.00 0.00 H new ATOM 1114 N CYS A 76 -8.554 10.142 1.900 1.00 0.00 N ATOM 1115 CA CYS A 76 -7.211 10.248 2.460 1.00 0.00 C ATOM 1116 C CYS A 76 -6.423 8.964 2.229 1.00 0.00 C ATOM 1117 O CYS A 76 -5.342 8.983 1.641 1.00 0.00 O ATOM 1118 CB CYS A 76 -7.282 10.555 3.957 1.00 0.00 C ATOM 1119 SG CYS A 76 -7.819 12.238 4.341 1.00 0.00 S ATOM 0 H CYS A 76 -9.062 9.303 2.179 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.697 11.065 1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.966 9.850 4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.299 10.389 4.398 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.960 12.472 3.763 1.00 0.00 H new ATOM 1125 N GLY A 77 -6.972 7.847 2.697 1.00 0.00 N ATOM 1126 CA GLY A 77 -6.307 6.568 2.532 1.00 0.00 C ATOM 1127 C GLY A 77 -6.077 6.217 1.075 1.00 0.00 C ATOM 1128 O GLY A 77 -6.937 6.462 0.229 1.00 0.00 O ATOM 0 H GLY A 77 -7.865 7.805 3.187 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.350 6.590 3.053 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.907 5.787 3.000 1.00 0.00 H new ATOM 1132 N VAL A 78 -4.915 5.643 0.783 1.00 0.00 N ATOM 1133 CA VAL A 78 -4.576 5.258 -0.581 1.00 0.00 C ATOM 1134 C VAL A 78 -3.524 4.154 -0.596 1.00 0.00 C ATOM 1135 O VAL A 78 -2.474 4.276 0.036 1.00 0.00 O ATOM 1136 CB VAL A 78 -4.053 6.458 -1.390 1.00 0.00 C ATOM 1137 CG1 VAL A 78 -5.196 7.391 -1.763 1.00 0.00 C ATOM 1138 CG2 VAL A 78 -2.982 7.203 -0.609 1.00 0.00 C ATOM 0 H VAL A 78 -4.193 5.434 1.472 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.493 4.890 -1.042 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.605 6.083 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.806 8.233 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.925 6.850 -2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.676 7.759 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.624 8.048 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.402 7.566 0.329 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.151 6.530 -0.398 1.00 0.00 H new ATOM 1148 N PHE A 79 -3.813 3.077 -1.319 1.00 0.00 N ATOM 1149 CA PHE A 79 -2.890 1.951 -1.415 1.00 0.00 C ATOM 1150 C PHE A 79 -1.940 2.127 -2.595 1.00 0.00 C ATOM 1151 O PHE A 79 -2.369 2.407 -3.714 1.00 0.00 O ATOM 1152 CB PHE A 79 -3.667 0.641 -1.561 1.00 0.00 C ATOM 1153 CG PHE A 79 -3.964 -0.029 -0.250 1.00 0.00 C ATOM 1154 CD1 PHE A 79 -2.936 -0.468 0.569 1.00 0.00 C ATOM 1155 CD2 PHE A 79 -5.273 -0.219 0.165 1.00 0.00 C ATOM 1156 CE1 PHE A 79 -3.207 -1.085 1.775 1.00 0.00 C ATOM 1157 CE2 PHE A 79 -5.551 -0.834 1.371 1.00 0.00 C ATOM 1158 CZ PHE A 79 -4.516 -1.268 2.177 1.00 0.00 C ATOM 0 H PHE A 79 -4.678 2.960 -1.847 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.300 1.916 -0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -4.605 0.840 -2.079 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.096 -0.043 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.911 -0.326 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.085 0.118 -0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -2.396 -1.424 2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.575 -0.975 1.683 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.730 -1.750 3.120 1.00 0.00 H new ATOM 1168 N VAL A 80 -0.647 1.960 -2.337 1.00 0.00 N ATOM 1169 CA VAL A 80 0.365 2.100 -3.376 1.00 0.00 C ATOM 1170 C VAL A 80 1.572 1.214 -3.092 1.00 0.00 C ATOM 1171 O VAL A 80 1.742 0.719 -1.977 1.00 0.00 O ATOM 1172 CB VAL A 80 0.835 3.560 -3.510 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -0.228 4.403 -4.200 1.00 0.00 C ATOM 1174 CG2 VAL A 80 1.181 4.136 -2.146 1.00 0.00 C ATOM 0 H VAL A 80 -0.276 1.727 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.099 1.788 -4.312 1.00 0.00 H new ATOM 0 HB VAL A 80 1.735 3.578 -4.125 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.122 5.432 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.422 4.002 -5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.147 4.380 -3.614 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.511 5.168 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.301 4.105 -1.504 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.980 3.547 -1.694 1.00 0.00 H new ATOM 1184 N ALA A 81 2.408 1.019 -4.106 1.00 0.00 N ATOM 1185 CA ALA A 81 3.601 0.193 -3.964 1.00 0.00 C ATOM 1186 C ALA A 81 4.756 0.993 -3.373 1.00 0.00 C ATOM 1187 O ALA A 81 4.782 2.221 -3.460 1.00 0.00 O ATOM 1188 CB ALA A 81 3.997 -0.396 -5.310 1.00 0.00 C ATOM 0 H ALA A 81 2.281 1.422 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 81 3.370 -0.621 -3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.889 -1.011 -5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.182 -1.010 -5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 81 4.204 0.411 -6.013 1.00 0.00 H new ATOM 1194 N LEU A 82 5.712 0.290 -2.773 1.00 0.00 N ATOM 1195 CA LEU A 82 6.873 0.934 -2.166 1.00 0.00 C ATOM 1196 C LEU A 82 7.525 1.910 -3.142 1.00 0.00 C ATOM 1197 O LEU A 82 7.879 3.029 -2.772 1.00 0.00 O ATOM 1198 CB LEU A 82 7.891 -0.117 -1.721 1.00 0.00 C ATOM 1199 CG LEU A 82 8.950 0.384 -0.737 1.00 0.00 C ATOM 1200 CD1 LEU A 82 8.376 0.461 0.670 1.00 0.00 C ATOM 1201 CD2 LEU A 82 10.174 -0.518 -0.768 1.00 0.00 C ATOM 0 H LEU A 82 5.706 -0.727 -2.694 1.00 0.00 H new ATOM 0 HA LEU A 82 6.533 1.492 -1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.355 -0.948 -1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.394 -0.510 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 82 9.255 1.386 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 82 9.143 0.819 1.357 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.530 1.148 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.043 -0.529 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 82 10.917 -0.147 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.886 -1.532 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.598 -0.522 -1.772 1.00 0.00 H new ATOM 1213 N ASP A 83 7.674 1.478 -4.390 1.00 0.00 N ATOM 1214 CA ASP A 83 8.276 2.314 -5.421 1.00 0.00 C ATOM 1215 C ASP A 83 7.506 3.623 -5.567 1.00 0.00 C ATOM 1216 O ASP A 83 8.073 4.650 -5.940 1.00 0.00 O ATOM 1217 CB ASP A 83 8.306 1.573 -6.758 1.00 0.00 C ATOM 1218 CG ASP A 83 6.939 1.056 -7.163 1.00 0.00 C ATOM 1219 OD1 ASP A 83 6.506 0.023 -6.610 1.00 0.00 O ATOM 1220 OD2 ASP A 83 6.301 1.685 -8.033 1.00 0.00 O ATOM 0 H ASP A 83 7.386 0.554 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 83 9.299 2.542 -5.122 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.683 2.241 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.003 0.737 -6.692 1.00 0.00 H new ATOM 1225 N LYS A 84 6.213 3.578 -5.265 1.00 0.00 N ATOM 1226 CA LYS A 84 5.366 4.760 -5.357 1.00 0.00 C ATOM 1227 C LYS A 84 5.520 5.635 -4.117 1.00 0.00 C ATOM 1228 O LYS A 84 5.313 6.848 -4.171 1.00 0.00 O ATOM 1229 CB LYS A 84 3.901 4.352 -5.530 1.00 0.00 C ATOM 1230 CG LYS A 84 3.623 3.625 -6.836 1.00 0.00 C ATOM 1231 CD LYS A 84 2.573 4.348 -7.667 1.00 0.00 C ATOM 1232 CE LYS A 84 1.206 3.701 -7.522 1.00 0.00 C ATOM 1233 NZ LYS A 84 0.159 4.435 -8.286 1.00 0.00 N ATOM 0 H LYS A 84 5.729 2.735 -4.954 1.00 0.00 H new ATOM 0 HA LYS A 84 5.680 5.335 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.610 3.711 -4.698 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.276 5.243 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.546 3.540 -7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.285 2.611 -6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.518 5.392 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.870 4.342 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.254 2.670 -7.871 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.930 3.668 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.758 3.961 -8.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.095 5.412 -7.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.409 4.445 -9.296 1.00 0.00 H new ATOM 1247 N LEU A 85 5.885 5.012 -2.999 1.00 0.00 N ATOM 1248 CA LEU A 85 6.067 5.735 -1.746 1.00 0.00 C ATOM 1249 C LEU A 85 7.472 6.320 -1.655 1.00 0.00 C ATOM 1250 O LEU A 85 8.434 5.731 -2.148 1.00 0.00 O ATOM 1251 CB LEU A 85 5.811 4.809 -0.556 1.00 0.00 C ATOM 1252 CG LEU A 85 4.363 4.339 -0.402 1.00 0.00 C ATOM 1253 CD1 LEU A 85 4.230 3.408 0.795 1.00 0.00 C ATOM 1254 CD2 LEU A 85 3.429 5.531 -0.259 1.00 0.00 C ATOM 0 H LEU A 85 6.060 4.009 -2.937 1.00 0.00 H new ATOM 0 HA LEU A 85 5.349 6.554 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.453 3.933 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.109 5.325 0.357 1.00 0.00 H new ATOM 0 HG LEU A 85 4.081 3.788 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.194 3.083 0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.871 2.538 0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.529 3.935 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.403 5.179 -0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.709 6.109 0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.504 6.161 -1.145 1.00 0.00 H new ATOM 1266 N GLU A 86 7.584 7.484 -1.022 1.00 0.00 N ATOM 1267 CA GLU A 86 8.873 8.148 -0.865 1.00 0.00 C ATOM 1268 C GLU A 86 9.068 8.626 0.569 1.00 0.00 C ATOM 1269 O GLU A 86 8.433 9.586 1.007 1.00 0.00 O ATOM 1270 CB GLU A 86 8.980 9.331 -1.830 1.00 0.00 C ATOM 1271 CG GLU A 86 10.402 9.835 -2.017 1.00 0.00 C ATOM 1272 CD GLU A 86 10.649 11.157 -1.316 1.00 0.00 C ATOM 1273 OE1 GLU A 86 10.149 12.191 -1.804 1.00 0.00 O ATOM 1274 OE2 GLU A 86 11.343 11.157 -0.277 1.00 0.00 O ATOM 0 H GLU A 86 6.798 7.986 -0.610 1.00 0.00 H new ATOM 0 HA GLU A 86 9.657 7.427 -1.097 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.577 9.037 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.359 10.148 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.101 9.090 -1.636 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.606 9.949 -3.082 1.00 0.00 H new ATOM 1281 N LEU A 87 9.952 7.950 1.297 1.00 0.00 N ATOM 1282 CA LEU A 87 10.232 8.306 2.684 1.00 0.00 C ATOM 1283 C LEU A 87 10.760 9.734 2.784 1.00 0.00 C ATOM 1284 O LEU A 87 11.781 10.073 2.185 1.00 0.00 O ATOM 1285 CB LEU A 87 11.245 7.332 3.288 1.00 0.00 C ATOM 1286 CG LEU A 87 11.217 7.231 4.814 1.00 0.00 C ATOM 1287 CD1 LEU A 87 9.919 6.589 5.282 1.00 0.00 C ATOM 1288 CD2 LEU A 87 12.417 6.442 5.316 1.00 0.00 C ATOM 0 H LEU A 87 10.486 7.153 0.950 1.00 0.00 H new ATOM 0 HA LEU A 87 9.299 8.243 3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.067 6.341 2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.245 7.633 2.978 1.00 0.00 H new ATOM 0 HG LEU A 87 11.270 8.238 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.916 6.525 6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.074 7.194 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.835 5.588 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 87 12.382 6.379 6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.394 5.437 4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 87 13.336 6.943 5.011 1.00 0.00 H new ATOM 1300 N ILE A 88 10.059 10.566 3.547 1.00 0.00 N ATOM 1301 CA ILE A 88 10.459 11.957 3.728 1.00 0.00 C ATOM 1302 C ILE A 88 11.555 12.082 4.780 1.00 0.00 C ATOM 1303 O ILE A 88 11.485 11.460 5.840 1.00 0.00 O ATOM 1304 CB ILE A 88 9.263 12.837 4.141 1.00 0.00 C ATOM 1305 CG1 ILE A 88 8.068 12.585 3.217 1.00 0.00 C ATOM 1306 CG2 ILE A 88 9.656 14.306 4.125 1.00 0.00 C ATOM 1307 CD1 ILE A 88 6.877 11.974 3.922 1.00 0.00 C ATOM 0 H ILE A 88 9.212 10.302 4.050 1.00 0.00 H new ATOM 0 HA ILE A 88 10.840 12.303 2.767 1.00 0.00 H new ATOM 0 HB ILE A 88 8.970 12.572 5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 88 7.766 13.528 2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 88 8.378 11.925 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 88 8.801 14.915 4.419 1.00 0.00 H new ATOM 0 HG22 ILE A 88 10.476 14.471 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 88 9.973 14.587 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.069 11.824 3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.163 11.015 4.354 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.541 12.643 4.714 1.00 0.00 H new ATOM 1319 N GLU A 89 12.567 12.890 4.480 1.00 0.00 N ATOM 1320 CA GLU A 89 13.679 13.097 5.400 1.00 0.00 C ATOM 1321 C GLU A 89 13.236 13.905 6.615 1.00 0.00 C ATOM 1322 O GLU A 89 12.053 14.210 6.774 1.00 0.00 O ATOM 1323 CB GLU A 89 14.832 13.808 4.689 1.00 0.00 C ATOM 1324 CG GLU A 89 15.942 12.871 4.243 1.00 0.00 C ATOM 1325 CD GLU A 89 16.529 13.261 2.900 1.00 0.00 C ATOM 1326 OE1 GLU A 89 17.389 14.166 2.868 1.00 0.00 O ATOM 1327 OE2 GLU A 89 16.128 12.660 1.880 1.00 0.00 O ATOM 0 H GLU A 89 12.640 13.412 3.607 1.00 0.00 H new ATOM 0 HA GLU A 89 14.022 12.121 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.441 14.335 3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.250 14.561 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.732 12.867 4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.553 11.855 4.184 1.00 0.00 H new ATOM 1334 N SER A 90 14.192 14.250 7.471 1.00 0.00 N ATOM 1335 CA SER A 90 13.901 15.024 8.673 1.00 0.00 C ATOM 1336 C SER A 90 13.714 16.500 8.337 1.00 0.00 C ATOM 1337 O SER A 90 12.715 17.111 8.715 1.00 0.00 O ATOM 1338 CB SER A 90 15.027 14.860 9.696 1.00 0.00 C ATOM 1339 OG SER A 90 16.293 14.832 9.061 1.00 0.00 O ATOM 0 H SER A 90 15.176 14.006 7.355 1.00 0.00 H new ATOM 0 HA SER A 90 12.973 14.647 9.102 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.994 15.681 10.412 1.00 0.00 H new ATOM 0 HB3 SER A 90 14.879 13.939 10.260 1.00 0.00 H new ATOM 0 HG SER A 90 16.995 14.728 9.736 1.00 0.00 H new ATOM 1345 N GLY A 91 14.683 17.066 7.624 1.00 0.00 N ATOM 1346 CA GLY A 91 14.605 18.467 7.251 1.00 0.00 C ATOM 1347 C GLY A 91 15.633 18.847 6.202 1.00 0.00 C ATOM 1348 O GLY A 91 16.523 18.056 5.888 1.00 0.00 O ATOM 0 H GLY A 91 15.519 16.581 7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.606 18.684 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.750 19.084 8.138 1.00 0.00 H new ATOM 1352 N PRO A 92 15.536 20.062 5.637 1.00 0.00 N ATOM 1353 CA PRO A 92 16.475 20.535 4.613 1.00 0.00 C ATOM 1354 C PRO A 92 17.925 20.438 5.071 1.00 0.00 C ATOM 1355 O PRO A 92 18.218 19.865 6.120 1.00 0.00 O ATOM 1356 CB PRO A 92 16.076 21.999 4.409 1.00 0.00 C ATOM 1357 CG PRO A 92 14.652 22.071 4.840 1.00 0.00 C ATOM 1358 CD PRO A 92 14.507 21.070 5.951 1.00 0.00 C ATOM 0 HA PRO A 92 16.421 19.936 3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 92 16.702 22.666 5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.189 22.298 3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 92 14.398 23.074 5.182 1.00 0.00 H new ATOM 0 HG3 PRO A 92 13.981 21.837 4.013 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.675 21.525 6.927 1.00 0.00 H new ATOM 0 HD3 PRO A 92 13.509 20.633 5.971 1.00 0.00 H new ATOM 1366 N SER A 93 18.831 21.000 4.277 1.00 0.00 N ATOM 1367 CA SER A 93 20.252 20.977 4.603 1.00 0.00 C ATOM 1368 C SER A 93 20.574 21.980 5.705 1.00 0.00 C ATOM 1369 O SER A 93 19.771 22.862 6.010 1.00 0.00 O ATOM 1370 CB SER A 93 21.087 21.284 3.358 1.00 0.00 C ATOM 1371 OG SER A 93 22.261 20.491 3.322 1.00 0.00 O ATOM 0 H SER A 93 18.606 21.477 3.404 1.00 0.00 H new ATOM 0 HA SER A 93 20.501 19.978 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 93 20.492 21.100 2.463 1.00 0.00 H new ATOM 0 HB3 SER A 93 21.357 22.340 3.349 1.00 0.00 H new ATOM 0 HG SER A 93 22.776 20.705 2.516 1.00 0.00 H new ATOM 1377 N SER A 94 21.755 21.840 6.301 1.00 0.00 N ATOM 1378 CA SER A 94 22.183 22.735 7.370 1.00 0.00 C ATOM 1379 C SER A 94 22.257 24.175 6.876 1.00 0.00 C ATOM 1380 O SER A 94 21.413 25.004 7.218 1.00 0.00 O ATOM 1381 CB SER A 94 23.544 22.299 7.913 1.00 0.00 C ATOM 1382 OG SER A 94 23.404 21.267 8.873 1.00 0.00 O ATOM 0 H SER A 94 22.432 21.115 6.061 1.00 0.00 H new ATOM 0 HA SER A 94 21.446 22.683 8.171 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.173 21.953 7.092 1.00 0.00 H new ATOM 0 HB3 SER A 94 24.050 23.153 8.364 1.00 0.00 H new ATOM 0 HG SER A 94 24.289 21.005 9.203 1.00 0.00 H new ATOM 1388 N GLY A 95 23.271 24.469 6.069 1.00 0.00 N ATOM 1389 CA GLY A 95 23.437 25.810 5.542 1.00 0.00 C ATOM 1390 C GLY A 95 22.775 25.986 4.189 1.00 0.00 C ATOM 1391 O GLY A 95 22.186 27.062 3.953 1.00 0.00 O ATOM 1392 OXT GLY A 95 22.847 25.050 3.366 1.00 0.00 O ATOM 0 H GLY A 95 23.982 23.801 5.770 1.00 0.00 H new ATOM 0 HA2 GLY A 95 23.016 26.528 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 95 24.500 26.034 5.455 1.00 0.00 H new TER 1396 GLY A 95