USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 27 HIS HE2 : A 27 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 191 ZNZN :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 241 ZNZN :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD NoAdj-H: A 87 HIS HE2 : A 87 HIS NE2 : A 291 ZNZN :(H bumps) USER MOD Set 1.1: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 SER OG : rot 150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 16:sc= 0.628 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 16:sc= 1.29 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.514 X(o=-0.51,f=-0.023) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 24:sc= 0.0395 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -154:sc= -0.0704 (180deg=-1.03) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc=-0.00157 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0277 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 17:sc= 0.412 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.26) USER MOD Single : A 76 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.7!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0165 K(o=-0.016,f=-0.54) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.344 17.563 19.802 1.00 0.00 N ATOM 2 CA GLY A 1 25.452 17.432 18.664 1.00 0.00 C ATOM 3 C GLY A 1 26.072 16.643 17.529 1.00 0.00 C ATOM 4 O GLY A 1 27.198 16.920 17.113 1.00 0.00 O ATOM 0 H1 GLY A 1 25.873 18.110 20.551 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.586 16.619 20.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.212 18.054 19.508 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.532 16.942 18.982 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.178 18.424 18.305 1.00 0.00 H new ATOM 8 N SER A 2 25.338 15.656 17.026 1.00 0.00 N ATOM 9 CA SER A 2 25.825 14.820 15.935 1.00 0.00 C ATOM 10 C SER A 2 24.663 14.206 15.161 1.00 0.00 C ATOM 11 O SER A 2 23.523 14.208 15.625 1.00 0.00 O ATOM 12 CB SER A 2 26.732 13.714 16.477 1.00 0.00 C ATOM 13 OG SER A 2 28.023 14.216 16.780 1.00 0.00 O ATOM 0 H SER A 2 24.404 15.415 17.357 1.00 0.00 H new ATOM 0 HA SER A 2 26.399 15.450 15.256 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.287 13.281 17.373 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.813 12.913 15.742 1.00 0.00 H new ATOM 0 HG SER A 2 27.991 15.194 16.827 1.00 0.00 H new ATOM 19 N SER A 3 24.961 13.680 13.977 1.00 0.00 N ATOM 20 CA SER A 3 23.941 13.065 13.135 1.00 0.00 C ATOM 21 C SER A 3 24.568 12.432 11.897 1.00 0.00 C ATOM 22 O SER A 3 25.475 12.998 11.288 1.00 0.00 O ATOM 23 CB SER A 3 22.899 14.104 12.718 1.00 0.00 C ATOM 24 OG SER A 3 21.641 13.497 12.479 1.00 0.00 O ATOM 0 H SER A 3 25.900 13.667 13.579 1.00 0.00 H new ATOM 0 HA SER A 3 23.451 12.282 13.714 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.800 14.858 13.499 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.235 14.619 11.818 1.00 0.00 H new ATOM 0 HG SER A 3 20.992 14.182 12.216 1.00 0.00 H new ATOM 30 N GLY A 4 24.078 11.252 11.529 1.00 0.00 N ATOM 31 CA GLY A 4 24.601 10.560 10.366 1.00 0.00 C ATOM 32 C GLY A 4 24.290 9.077 10.384 1.00 0.00 C ATOM 33 O GLY A 4 24.503 8.404 11.392 1.00 0.00 O ATOM 0 H GLY A 4 23.327 10.763 12.016 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.182 11.005 9.464 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.681 10.701 10.319 1.00 0.00 H new ATOM 37 N SER A 5 23.783 8.566 9.267 1.00 0.00 N ATOM 38 CA SER A 5 23.437 7.154 9.160 1.00 0.00 C ATOM 39 C SER A 5 23.130 6.777 7.714 1.00 0.00 C ATOM 40 O SER A 5 22.661 7.604 6.931 1.00 0.00 O ATOM 41 CB SER A 5 22.233 6.834 10.049 1.00 0.00 C ATOM 42 OG SER A 5 22.622 6.697 11.405 1.00 0.00 O ATOM 0 H SER A 5 23.603 9.109 8.423 1.00 0.00 H new ATOM 0 HA SER A 5 24.294 6.569 9.495 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.490 7.626 9.959 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.760 5.913 9.708 1.00 0.00 H new ATOM 0 HG SER A 5 23.515 7.081 11.530 1.00 0.00 H new ATOM 48 N SER A 6 23.397 5.523 7.366 1.00 0.00 N ATOM 49 CA SER A 6 23.154 5.036 6.013 1.00 0.00 C ATOM 50 C SER A 6 23.342 3.524 5.938 1.00 0.00 C ATOM 51 O SER A 6 23.880 2.907 6.856 1.00 0.00 O ATOM 52 CB SER A 6 24.092 5.728 5.023 1.00 0.00 C ATOM 53 OG SER A 6 23.544 5.729 3.716 1.00 0.00 O ATOM 0 H SER A 6 23.782 4.825 8.002 1.00 0.00 H new ATOM 0 HA SER A 6 22.123 5.270 5.749 1.00 0.00 H new ATOM 0 HB2 SER A 6 24.274 6.753 5.345 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.057 5.221 5.016 1.00 0.00 H new ATOM 0 HG SER A 6 24.162 6.179 3.103 1.00 0.00 H new ATOM 59 N GLY A 7 22.894 2.932 4.834 1.00 0.00 N ATOM 60 CA GLY A 7 23.022 1.497 4.658 1.00 0.00 C ATOM 61 C GLY A 7 21.944 0.926 3.759 1.00 0.00 C ATOM 62 O GLY A 7 20.859 0.559 4.211 1.00 0.00 O ATOM 0 H GLY A 7 22.445 3.421 4.059 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.001 1.272 4.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.975 1.009 5.631 1.00 0.00 H new ATOM 66 N PRO A 8 22.238 0.845 2.453 1.00 0.00 N ATOM 67 CA PRO A 8 21.298 0.316 1.460 1.00 0.00 C ATOM 68 C PRO A 8 21.086 -1.187 1.606 1.00 0.00 C ATOM 69 O PRO A 8 21.604 -1.810 2.533 1.00 0.00 O ATOM 70 CB PRO A 8 21.975 0.634 0.125 1.00 0.00 C ATOM 71 CG PRO A 8 23.427 0.715 0.447 1.00 0.00 C ATOM 72 CD PRO A 8 23.512 1.264 1.844 1.00 0.00 C ATOM 0 HA PRO A 8 20.305 0.754 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 8 21.776 -0.142 -0.614 1.00 0.00 H new ATOM 0 HB3 PRO A 8 21.609 1.573 -0.291 1.00 0.00 H new ATOM 0 HG2 PRO A 8 23.896 -0.267 0.385 1.00 0.00 H new ATOM 0 HG3 PRO A 8 23.948 1.362 -0.259 1.00 0.00 H new ATOM 0 HD2 PRO A 8 24.368 0.859 2.384 1.00 0.00 H new ATOM 0 HD3 PRO A 8 23.620 2.349 1.844 1.00 0.00 H new ATOM 80 N HIS A 9 20.323 -1.765 0.684 1.00 0.00 N ATOM 81 CA HIS A 9 20.044 -3.196 0.709 1.00 0.00 C ATOM 82 C HIS A 9 20.457 -3.854 -0.605 1.00 0.00 C ATOM 83 O HIS A 9 19.711 -3.832 -1.584 1.00 0.00 O ATOM 84 CB HIS A 9 18.558 -3.443 0.971 1.00 0.00 C ATOM 85 CG HIS A 9 18.042 -2.748 2.193 1.00 0.00 C ATOM 86 ND1 HIS A 9 17.598 -3.422 3.311 1.00 0.00 N ATOM 87 CD2 HIS A 9 17.903 -1.430 2.470 1.00 0.00 C ATOM 88 CE1 HIS A 9 17.205 -2.549 4.222 1.00 0.00 C ATOM 89 NE2 HIS A 9 17.381 -1.333 3.736 1.00 0.00 N ATOM 0 H HIS A 9 19.887 -1.264 -0.090 1.00 0.00 H new ATOM 0 HA HIS A 9 20.627 -3.640 1.516 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.985 -3.112 0.105 1.00 0.00 H new ATOM 0 HB3 HIS A 9 18.389 -4.515 1.074 1.00 0.00 H new ATOM 0 HD2 HIS A 9 18.156 -0.608 1.817 1.00 0.00 H new ATOM 0 HE1 HIS A 9 16.808 -2.789 5.197 1.00 0.00 H new ATOM 0 HE2 HIS A 9 17.164 -0.463 4.223 1.00 0.00 H new ATOM 97 N LYS A 10 21.651 -4.437 -0.619 1.00 0.00 N ATOM 98 CA LYS A 10 22.164 -5.101 -1.811 1.00 0.00 C ATOM 99 C LYS A 10 22.183 -6.615 -1.625 1.00 0.00 C ATOM 100 O LYS A 10 22.841 -7.132 -0.722 1.00 0.00 O ATOM 101 CB LYS A 10 23.573 -4.599 -2.133 1.00 0.00 C ATOM 102 CG LYS A 10 23.924 -4.677 -3.609 1.00 0.00 C ATOM 103 CD LYS A 10 25.360 -4.249 -3.864 1.00 0.00 C ATOM 104 CE LYS A 10 26.327 -5.409 -3.681 1.00 0.00 C ATOM 105 NZ LYS A 10 27.713 -5.044 -4.085 1.00 0.00 N ATOM 0 H LYS A 10 22.282 -4.463 0.182 1.00 0.00 H new ATOM 0 HA LYS A 10 21.501 -4.863 -2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.666 -3.565 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.297 -5.183 -1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.779 -5.697 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.247 -4.041 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.449 -3.855 -4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.626 -3.441 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.324 -5.723 -2.637 1.00 0.00 H new ATOM 0 HE3 LYS A 10 25.989 -6.260 -4.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.342 -5.861 -3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.721 -4.768 -5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 28.046 -4.248 -3.504 1.00 0.00 H new ATOM 119 N CYS A 11 21.458 -7.321 -2.487 1.00 0.00 N ATOM 120 CA CYS A 11 21.391 -8.776 -2.418 1.00 0.00 C ATOM 121 C CYS A 11 22.791 -9.383 -2.378 1.00 0.00 C ATOM 122 O CYS A 11 23.751 -8.785 -2.863 1.00 0.00 O ATOM 123 CB CYS A 11 20.618 -9.329 -3.617 1.00 0.00 C ATOM 124 SG CYS A 11 19.729 -10.882 -3.276 1.00 0.00 S ATOM 0 H CYS A 11 20.909 -6.909 -3.241 1.00 0.00 H new ATOM 0 HA CYS A 11 20.869 -9.048 -1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 11 19.902 -8.579 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 11 21.314 -9.494 -4.440 1.00 0.00 H new ATOM 129 N GLU A 12 22.897 -10.573 -1.796 1.00 0.00 N ATOM 130 CA GLU A 12 24.179 -11.260 -1.692 1.00 0.00 C ATOM 131 C GLU A 12 24.111 -12.640 -2.340 1.00 0.00 C ATOM 132 O GLU A 12 25.137 -13.236 -2.668 1.00 0.00 O ATOM 133 CB GLU A 12 24.594 -11.394 -0.225 1.00 0.00 C ATOM 134 CG GLU A 12 23.577 -12.131 0.630 1.00 0.00 C ATOM 135 CD GLU A 12 24.157 -12.603 1.949 1.00 0.00 C ATOM 136 OE1 GLU A 12 24.813 -11.790 2.633 1.00 0.00 O ATOM 137 OE2 GLU A 12 23.956 -13.785 2.298 1.00 0.00 O ATOM 0 H GLU A 12 22.111 -11.081 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 12 24.924 -10.665 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 12 25.548 -11.918 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 12 24.753 -10.399 0.191 1.00 0.00 H new ATOM 0 HG2 GLU A 12 22.728 -11.475 0.824 1.00 0.00 H new ATOM 0 HG3 GLU A 12 23.197 -12.990 0.077 1.00 0.00 H new ATOM 144 N VAL A 13 22.894 -13.143 -2.522 1.00 0.00 N ATOM 145 CA VAL A 13 22.690 -14.452 -3.131 1.00 0.00 C ATOM 146 C VAL A 13 22.955 -14.407 -4.631 1.00 0.00 C ATOM 147 O VAL A 13 23.504 -15.348 -5.204 1.00 0.00 O ATOM 148 CB VAL A 13 21.259 -14.967 -2.889 1.00 0.00 C ATOM 149 CG1 VAL A 13 21.127 -15.537 -1.485 1.00 0.00 C ATOM 150 CG2 VAL A 13 20.247 -13.855 -3.119 1.00 0.00 C ATOM 0 H VAL A 13 22.034 -12.663 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 13 23.398 -15.134 -2.660 1.00 0.00 H new ATOM 0 HB VAL A 13 21.054 -15.767 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 13 20.109 -15.896 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 13 21.826 -16.364 -1.361 1.00 0.00 H new ATOM 0 HG13 VAL A 13 21.351 -14.760 -0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 13 19.241 -14.236 -2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 13 20.448 -13.032 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 13 20.326 -13.498 -4.146 1.00 0.00 H new ATOM 160 N CYS A 14 22.562 -13.306 -5.263 1.00 0.00 N ATOM 161 CA CYS A 14 22.757 -13.136 -6.698 1.00 0.00 C ATOM 162 C CYS A 14 23.629 -11.918 -6.989 1.00 0.00 C ATOM 163 O CYS A 14 24.488 -11.952 -7.868 1.00 0.00 O ATOM 164 CB CYS A 14 21.408 -12.991 -7.404 1.00 0.00 C ATOM 165 SG CYS A 14 20.460 -11.519 -6.901 1.00 0.00 S ATOM 0 H CYS A 14 22.106 -12.518 -4.803 1.00 0.00 H new ATOM 0 HA CYS A 14 23.265 -14.023 -7.077 1.00 0.00 H new ATOM 0 HB2 CYS A 14 21.576 -12.952 -8.480 1.00 0.00 H new ATOM 0 HB3 CYS A 14 20.809 -13.880 -7.207 1.00 0.00 H new ATOM 170 N GLY A 15 23.401 -10.842 -6.241 1.00 0.00 N ATOM 171 CA GLY A 15 24.173 -9.628 -6.433 1.00 0.00 C ATOM 172 C GLY A 15 23.411 -8.574 -7.211 1.00 0.00 C ATOM 173 O GLY A 15 23.971 -7.909 -8.083 1.00 0.00 O ATOM 0 H GLY A 15 22.696 -10.790 -5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 15 24.457 -9.224 -5.461 1.00 0.00 H new ATOM 0 HA3 GLY A 15 25.096 -9.868 -6.960 1.00 0.00 H new ATOM 177 N LYS A 16 22.129 -8.420 -6.897 1.00 0.00 N ATOM 178 CA LYS A 16 21.288 -7.440 -7.573 1.00 0.00 C ATOM 179 C LYS A 16 21.130 -6.182 -6.725 1.00 0.00 C ATOM 180 O LYS A 16 20.816 -6.258 -5.537 1.00 0.00 O ATOM 181 CB LYS A 16 19.912 -8.039 -7.875 1.00 0.00 C ATOM 182 CG LYS A 16 19.166 -7.320 -8.985 1.00 0.00 C ATOM 183 CD LYS A 16 19.605 -7.804 -10.357 1.00 0.00 C ATOM 184 CE LYS A 16 19.027 -6.937 -11.465 1.00 0.00 C ATOM 185 NZ LYS A 16 19.922 -6.889 -12.655 1.00 0.00 N ATOM 0 H LYS A 16 21.650 -8.962 -6.178 1.00 0.00 H new ATOM 0 HA LYS A 16 21.773 -7.168 -8.510 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.034 -9.087 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.308 -8.015 -6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.094 -7.480 -8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.338 -6.247 -8.905 1.00 0.00 H new ATOM 0 HD2 LYS A 16 20.693 -7.794 -10.416 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.287 -8.837 -10.499 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.052 -7.326 -11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.867 -5.926 -11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 19.493 -6.288 -13.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 20.844 -6.495 -12.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 20.054 -7.850 -13.029 1.00 0.00 H new ATOM 199 N CYS A 17 21.349 -5.026 -7.343 1.00 0.00 N ATOM 200 CA CYS A 17 21.231 -3.751 -6.645 1.00 0.00 C ATOM 201 C CYS A 17 19.776 -3.297 -6.585 1.00 0.00 C ATOM 202 O CYS A 17 19.001 -3.537 -7.511 1.00 0.00 O ATOM 203 CB CYS A 17 22.083 -2.686 -7.337 1.00 0.00 C ATOM 204 SG CYS A 17 21.586 -2.335 -9.039 1.00 0.00 S ATOM 0 H CYS A 17 21.609 -4.946 -8.326 1.00 0.00 H new ATOM 0 HA CYS A 17 21.592 -3.888 -5.626 1.00 0.00 H new ATOM 0 HB2 CYS A 17 22.034 -1.764 -6.758 1.00 0.00 H new ATOM 0 HB3 CYS A 17 23.124 -3.010 -7.333 1.00 0.00 H new ATOM 0 HG CYS A 17 20.337 -2.656 -9.201 1.00 0.00 H new ATOM 210 N PHE A 18 19.412 -2.640 -5.489 1.00 0.00 N ATOM 211 CA PHE A 18 18.049 -2.154 -5.306 1.00 0.00 C ATOM 212 C PHE A 18 18.041 -0.827 -4.553 1.00 0.00 C ATOM 213 O PHE A 18 18.833 -0.618 -3.635 1.00 0.00 O ATOM 214 CB PHE A 18 17.213 -3.188 -4.549 1.00 0.00 C ATOM 215 CG PHE A 18 17.139 -4.520 -5.240 1.00 0.00 C ATOM 216 CD1 PHE A 18 16.490 -4.649 -6.457 1.00 0.00 C ATOM 217 CD2 PHE A 18 17.718 -5.643 -4.672 1.00 0.00 C ATOM 218 CE1 PHE A 18 16.419 -5.873 -7.094 1.00 0.00 C ATOM 219 CE2 PHE A 18 17.651 -6.871 -5.304 1.00 0.00 C ATOM 220 CZ PHE A 18 17.001 -6.985 -6.517 1.00 0.00 C ATOM 0 H PHE A 18 20.042 -2.432 -4.714 1.00 0.00 H new ATOM 0 HA PHE A 18 17.612 -1.995 -6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 18 17.635 -3.327 -3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 18 16.203 -2.800 -4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 18 16.034 -3.783 -6.913 1.00 0.00 H new ATOM 0 HD2 PHE A 18 18.228 -5.558 -3.724 1.00 0.00 H new ATOM 0 HE1 PHE A 18 15.909 -5.960 -8.042 1.00 0.00 H new ATOM 0 HE2 PHE A 18 18.106 -7.739 -4.850 1.00 0.00 H new ATOM 0 HZ PHE A 18 16.948 -7.942 -7.014 1.00 0.00 H new ATOM 230 N SER A 19 17.139 0.066 -4.949 1.00 0.00 N ATOM 231 CA SER A 19 17.030 1.374 -4.315 1.00 0.00 C ATOM 232 C SER A 19 15.963 1.362 -3.224 1.00 0.00 C ATOM 233 O SER A 19 16.154 1.928 -2.148 1.00 0.00 O ATOM 234 CB SER A 19 16.697 2.443 -5.358 1.00 0.00 C ATOM 235 OG SER A 19 16.805 3.744 -4.806 1.00 0.00 O ATOM 0 H SER A 19 16.474 -0.093 -5.706 1.00 0.00 H new ATOM 0 HA SER A 19 17.991 1.610 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 19 17.372 2.348 -6.209 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.686 2.287 -5.734 1.00 0.00 H new ATOM 0 HG SER A 19 16.589 4.409 -5.492 1.00 0.00 H new ATOM 241 N ARG A 20 14.840 0.713 -3.512 1.00 0.00 N ATOM 242 CA ARG A 20 13.741 0.628 -2.557 1.00 0.00 C ATOM 243 C ARG A 20 13.878 -0.613 -1.680 1.00 0.00 C ATOM 244 O ARG A 20 14.534 -1.585 -2.058 1.00 0.00 O ATOM 245 CB ARG A 20 12.400 0.600 -3.292 1.00 0.00 C ATOM 246 CG ARG A 20 12.023 1.931 -3.922 1.00 0.00 C ATOM 247 CD ARG A 20 12.519 2.028 -5.356 1.00 0.00 C ATOM 248 NE ARG A 20 11.948 3.176 -6.056 1.00 0.00 N ATOM 249 CZ ARG A 20 10.692 3.226 -6.484 1.00 0.00 C ATOM 250 NH1 ARG A 20 9.879 2.197 -6.285 1.00 0.00 N ATOM 251 NH2 ARG A 20 10.246 4.306 -7.113 1.00 0.00 N ATOM 0 H ARG A 20 14.667 0.239 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 20 13.779 1.510 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.437 -0.163 -4.070 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.618 0.304 -2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.940 2.051 -3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.445 2.746 -3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.606 2.106 -5.359 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.263 1.113 -5.891 1.00 0.00 H new ATOM 0 HE ARG A 20 12.547 3.984 -6.225 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.218 1.365 -5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.915 2.238 -6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.868 5.099 -7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.281 4.343 -7.441 1.00 0.00 H new ATOM 265 N LYS A 21 13.256 -0.574 -0.507 1.00 0.00 N ATOM 266 CA LYS A 21 13.307 -1.695 0.425 1.00 0.00 C ATOM 267 C LYS A 21 12.307 -2.777 0.030 1.00 0.00 C ATOM 268 O LYS A 21 12.599 -3.969 0.126 1.00 0.00 O ATOM 269 CB LYS A 21 13.019 -1.214 1.849 1.00 0.00 C ATOM 270 CG LYS A 21 13.095 -2.317 2.890 1.00 0.00 C ATOM 271 CD LYS A 21 12.584 -1.845 4.241 1.00 0.00 C ATOM 272 CE LYS A 21 13.658 -1.093 5.012 1.00 0.00 C ATOM 273 NZ LYS A 21 13.344 -1.011 6.465 1.00 0.00 N ATOM 0 H LYS A 21 12.710 0.222 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 21 14.310 -2.121 0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.730 -0.430 2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.026 -0.766 1.878 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.509 -3.174 2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.126 -2.655 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.718 -1.199 4.098 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.249 -2.703 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.618 -1.590 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.760 -0.087 4.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.100 -0.491 6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.440 -0.514 6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.272 -1.971 6.859 1.00 0.00 H new ATOM 287 N ASP A 22 11.130 -2.353 -0.415 1.00 0.00 N ATOM 288 CA ASP A 22 10.087 -3.286 -0.827 1.00 0.00 C ATOM 289 C ASP A 22 10.586 -4.200 -1.943 1.00 0.00 C ATOM 290 O ASP A 22 10.446 -5.421 -1.870 1.00 0.00 O ATOM 291 CB ASP A 22 8.846 -2.524 -1.293 1.00 0.00 C ATOM 292 CG ASP A 22 7.996 -2.040 -0.134 1.00 0.00 C ATOM 293 OD1 ASP A 22 8.537 -1.904 0.983 1.00 0.00 O ATOM 294 OD2 ASP A 22 6.789 -1.797 -0.345 1.00 0.00 O ATOM 0 H ASP A 22 10.874 -1.369 -0.500 1.00 0.00 H new ATOM 0 HA ASP A 22 9.824 -3.902 0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.153 -1.670 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.247 -3.169 -1.935 1.00 0.00 H new ATOM 299 N LYS A 23 11.169 -3.601 -2.975 1.00 0.00 N ATOM 300 CA LYS A 23 11.690 -4.359 -4.107 1.00 0.00 C ATOM 301 C LYS A 23 12.402 -5.622 -3.634 1.00 0.00 C ATOM 302 O LYS A 23 12.059 -6.731 -4.045 1.00 0.00 O ATOM 303 CB LYS A 23 12.651 -3.495 -4.927 1.00 0.00 C ATOM 304 CG LYS A 23 12.026 -2.209 -5.439 1.00 0.00 C ATOM 305 CD LYS A 23 11.240 -2.442 -6.718 1.00 0.00 C ATOM 306 CE LYS A 23 9.777 -2.739 -6.427 1.00 0.00 C ATOM 307 NZ LYS A 23 8.929 -2.595 -7.643 1.00 0.00 N ATOM 0 H LYS A 23 11.293 -2.591 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 23 10.848 -4.651 -4.735 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.518 -3.249 -4.314 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.015 -4.075 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.367 -1.795 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.807 -1.471 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.314 -1.562 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.679 -3.274 -7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.683 -3.752 -6.037 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.417 -2.064 -5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.939 -2.806 -7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.999 -1.621 -8.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.256 -3.257 -8.375 1.00 0.00 H new ATOM 321 N LEU A 24 13.393 -5.447 -2.767 1.00 0.00 N ATOM 322 CA LEU A 24 14.153 -6.574 -2.236 1.00 0.00 C ATOM 323 C LEU A 24 13.230 -7.583 -1.560 1.00 0.00 C ATOM 324 O LEU A 24 13.393 -8.793 -1.717 1.00 0.00 O ATOM 325 CB LEU A 24 15.205 -6.081 -1.241 1.00 0.00 C ATOM 326 CG LEU A 24 16.233 -7.117 -0.784 1.00 0.00 C ATOM 327 CD1 LEU A 24 17.233 -7.402 -1.893 1.00 0.00 C ATOM 328 CD2 LEU A 24 16.949 -6.639 0.472 1.00 0.00 C ATOM 0 H LEU A 24 13.689 -4.536 -2.417 1.00 0.00 H new ATOM 0 HA LEU A 24 14.653 -7.068 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 24 15.738 -5.244 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.691 -5.695 -0.361 1.00 0.00 H new ATOM 0 HG LEU A 24 15.708 -8.043 -0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 24 17.956 -8.141 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 24 16.707 -7.787 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 24 17.753 -6.482 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 24 17.677 -7.388 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 24 17.461 -5.700 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 24 16.222 -6.486 1.269 1.00 0.00 H new ATOM 340 N LYS A 25 12.259 -7.077 -0.807 1.00 0.00 N ATOM 341 CA LYS A 25 11.307 -7.932 -0.109 1.00 0.00 C ATOM 342 C LYS A 25 10.876 -9.100 -0.991 1.00 0.00 C ATOM 343 O LYS A 25 11.166 -10.259 -0.691 1.00 0.00 O ATOM 344 CB LYS A 25 10.080 -7.123 0.318 1.00 0.00 C ATOM 345 CG LYS A 25 9.207 -7.834 1.337 1.00 0.00 C ATOM 346 CD LYS A 25 7.776 -7.324 1.297 1.00 0.00 C ATOM 347 CE LYS A 25 6.891 -8.068 2.286 1.00 0.00 C ATOM 348 NZ LYS A 25 5.526 -7.478 2.362 1.00 0.00 N ATOM 0 H LYS A 25 12.111 -6.078 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 25 11.799 -8.331 0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.410 -6.172 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.482 -6.894 -0.564 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.218 -8.906 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.619 -7.688 2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.762 -6.258 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.375 -7.440 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.818 -9.115 1.992 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.352 -8.046 3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.954 -8.013 3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.593 -6.486 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.076 -7.522 1.425 1.00 0.00 H new ATOM 362 N THR A 26 10.184 -8.788 -2.082 1.00 0.00 N ATOM 363 CA THR A 26 9.714 -9.811 -3.007 1.00 0.00 C ATOM 364 C THR A 26 10.882 -10.512 -3.691 1.00 0.00 C ATOM 365 O THR A 26 10.888 -11.735 -3.834 1.00 0.00 O ATOM 366 CB THR A 26 8.787 -9.213 -4.083 1.00 0.00 C ATOM 367 OG1 THR A 26 7.773 -8.413 -3.466 1.00 0.00 O ATOM 368 CG2 THR A 26 8.139 -10.312 -4.911 1.00 0.00 C ATOM 0 H THR A 26 9.937 -7.834 -2.347 1.00 0.00 H new ATOM 0 HA THR A 26 9.153 -10.536 -2.418 1.00 0.00 H new ATOM 0 HB THR A 26 9.389 -8.590 -4.744 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.189 -8.035 -4.156 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.489 -9.865 -5.664 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.913 -10.901 -5.403 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.550 -10.958 -4.260 1.00 0.00 H new ATOM 376 N HIS A 27 11.870 -9.730 -4.113 1.00 0.00 N ATOM 377 CA HIS A 27 13.046 -10.277 -4.782 1.00 0.00 C ATOM 378 C HIS A 27 13.461 -11.603 -4.152 1.00 0.00 C ATOM 379 O HIS A 27 14.032 -12.465 -4.819 1.00 0.00 O ATOM 380 CB HIS A 27 14.205 -9.282 -4.715 1.00 0.00 C ATOM 381 CG HIS A 27 15.430 -9.741 -5.445 1.00 0.00 C ATOM 382 ND1 HIS A 27 15.461 -9.947 -6.808 1.00 0.00 N ATOM 383 CD2 HIS A 27 16.673 -10.032 -4.994 1.00 0.00 C ATOM 384 CE1 HIS A 27 16.669 -10.346 -7.163 1.00 0.00 C ATOM 385 NE2 HIS A 27 17.424 -10.406 -6.081 1.00 0.00 N ATOM 0 H HIS A 27 11.880 -8.716 -4.004 1.00 0.00 H new ATOM 0 HA HIS A 27 12.790 -10.455 -5.826 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.879 -8.329 -5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 27 14.460 -9.103 -3.670 1.00 0.00 H new ATOM 0 HD1 HIS A 27 14.674 -9.812 -7.443 1.00 0.00 H new ATOM 0 HD2 HIS A 27 17.011 -9.980 -3.970 1.00 0.00 H new ATOM 0 HE1 HIS A 27 16.986 -10.583 -8.168 1.00 0.00 H new ATOM 393 N MET A 28 13.170 -11.758 -2.865 1.00 0.00 N ATOM 394 CA MET A 28 13.514 -12.980 -2.146 1.00 0.00 C ATOM 395 C MET A 28 12.563 -14.114 -2.516 1.00 0.00 C ATOM 396 O MET A 28 12.991 -15.242 -2.756 1.00 0.00 O ATOM 397 CB MET A 28 13.473 -12.737 -0.636 1.00 0.00 C ATOM 398 CG MET A 28 14.638 -11.906 -0.123 1.00 0.00 C ATOM 399 SD MET A 28 16.092 -12.905 0.252 1.00 0.00 S ATOM 400 CE MET A 28 17.328 -12.098 -0.763 1.00 0.00 C ATOM 0 H MET A 28 12.697 -11.054 -2.298 1.00 0.00 H new ATOM 0 HA MET A 28 14.525 -13.269 -2.433 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.539 -12.235 -0.382 1.00 0.00 H new ATOM 0 HB3 MET A 28 13.468 -13.698 -0.121 1.00 0.00 H new ATOM 0 HG2 MET A 28 14.900 -11.156 -0.869 1.00 0.00 H new ATOM 0 HG3 MET A 28 14.329 -11.370 0.774 1.00 0.00 H new ATOM 0 HE1 MET A 28 18.114 -12.810 -1.015 1.00 0.00 H new ATOM 0 HE2 MET A 28 16.864 -11.731 -1.678 1.00 0.00 H new ATOM 0 HE3 MET A 28 17.760 -11.261 -0.214 1.00 0.00 H new ATOM 410 N ARG A 29 11.270 -13.806 -2.560 1.00 0.00 N ATOM 411 CA ARG A 29 10.259 -14.800 -2.899 1.00 0.00 C ATOM 412 C ARG A 29 10.739 -15.696 -4.037 1.00 0.00 C ATOM 413 O ARG A 29 10.486 -16.902 -4.040 1.00 0.00 O ATOM 414 CB ARG A 29 8.950 -14.113 -3.293 1.00 0.00 C ATOM 415 CG ARG A 29 8.146 -13.609 -2.107 1.00 0.00 C ATOM 416 CD ARG A 29 6.731 -13.229 -2.514 1.00 0.00 C ATOM 417 NE ARG A 29 6.080 -12.388 -1.512 1.00 0.00 N ATOM 418 CZ ARG A 29 4.770 -12.173 -1.473 1.00 0.00 C ATOM 419 NH1 ARG A 29 3.975 -12.734 -2.373 1.00 0.00 N ATOM 420 NH2 ARG A 29 4.252 -11.395 -0.530 1.00 0.00 N ATOM 0 H ARG A 29 10.899 -12.876 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 29 10.085 -15.420 -2.020 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.174 -13.274 -3.952 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.340 -14.813 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.110 -14.380 -1.337 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.644 -12.744 -1.669 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.757 -12.702 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.142 -14.134 -2.666 1.00 0.00 H new ATOM 0 HE ARG A 29 6.663 -11.942 -0.804 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.369 -13.333 -3.099 1.00 0.00 H new ATOM 0 HH12 ARG A 29 2.969 -12.567 -2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.860 -10.962 0.165 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.246 -11.230 -0.501 1.00 0.00 H new ATOM 434 N CYS A 30 11.430 -15.100 -5.002 1.00 0.00 N ATOM 435 CA CYS A 30 11.944 -15.844 -6.146 1.00 0.00 C ATOM 436 C CYS A 30 13.086 -16.764 -5.729 1.00 0.00 C ATOM 437 O CYS A 30 13.008 -17.982 -5.894 1.00 0.00 O ATOM 438 CB CYS A 30 12.421 -14.881 -7.235 1.00 0.00 C ATOM 439 SG CYS A 30 13.147 -15.697 -8.676 1.00 0.00 S ATOM 0 H CYS A 30 11.647 -14.103 -5.015 1.00 0.00 H new ATOM 0 HA CYS A 30 11.134 -16.457 -6.542 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.578 -14.273 -7.562 1.00 0.00 H new ATOM 0 HB3 CYS A 30 13.157 -14.201 -6.807 1.00 0.00 H new ATOM 0 HG CYS A 30 13.518 -14.801 -9.541 1.00 0.00 H new ATOM 445 N HIS A 31 14.148 -16.174 -5.188 1.00 0.00 N ATOM 446 CA HIS A 31 15.307 -16.941 -4.747 1.00 0.00 C ATOM 447 C HIS A 31 14.876 -18.252 -4.097 1.00 0.00 C ATOM 448 O HIS A 31 15.288 -19.333 -4.520 1.00 0.00 O ATOM 449 CB HIS A 31 16.144 -16.121 -3.764 1.00 0.00 C ATOM 450 CG HIS A 31 16.930 -15.025 -4.415 1.00 0.00 C ATOM 451 ND1 HIS A 31 17.635 -15.199 -5.588 1.00 0.00 N ATOM 452 CD2 HIS A 31 17.118 -13.735 -4.052 1.00 0.00 C ATOM 453 CE1 HIS A 31 18.224 -14.063 -5.917 1.00 0.00 C ATOM 454 NE2 HIS A 31 17.926 -13.159 -5.001 1.00 0.00 N ATOM 0 H HIS A 31 14.229 -15.167 -5.045 1.00 0.00 H new ATOM 0 HA HIS A 31 15.913 -17.173 -5.623 1.00 0.00 H new ATOM 0 HB2 HIS A 31 15.485 -15.687 -3.012 1.00 0.00 H new ATOM 0 HB3 HIS A 31 16.830 -16.787 -3.240 1.00 0.00 H new ATOM 0 HD1 HIS A 31 17.693 -16.068 -6.118 1.00 0.00 H new ATOM 0 HD2 HIS A 31 16.709 -13.249 -3.179 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.844 -13.901 -6.787 1.00 0.00 H new ATOM 462 N THR A 32 14.045 -18.150 -3.064 1.00 0.00 N ATOM 463 CA THR A 32 13.560 -19.326 -2.354 1.00 0.00 C ATOM 464 C THR A 32 12.105 -19.154 -1.934 1.00 0.00 C ATOM 465 O THR A 32 11.616 -18.033 -1.801 1.00 0.00 O ATOM 466 CB THR A 32 14.412 -19.619 -1.105 1.00 0.00 C ATOM 467 OG1 THR A 32 15.801 -19.646 -1.454 1.00 0.00 O ATOM 468 CG2 THR A 32 14.016 -20.948 -0.479 1.00 0.00 C ATOM 0 H THR A 32 13.694 -17.264 -2.701 1.00 0.00 H new ATOM 0 HA THR A 32 13.639 -20.166 -3.044 1.00 0.00 H new ATOM 0 HB THR A 32 14.236 -18.826 -0.378 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.336 -19.831 -0.654 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.631 -21.133 0.401 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.966 -20.914 -0.187 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.166 -21.750 -1.202 1.00 0.00 H new ATOM 476 N GLY A 33 11.417 -20.273 -1.725 1.00 0.00 N ATOM 477 CA GLY A 33 10.024 -20.222 -1.321 1.00 0.00 C ATOM 478 C GLY A 33 9.098 -19.890 -2.474 1.00 0.00 C ATOM 479 O GLY A 33 9.409 -19.036 -3.304 1.00 0.00 O ATOM 0 H GLY A 33 11.799 -21.213 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.737 -21.183 -0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.904 -19.476 -0.536 1.00 0.00 H new ATOM 483 N VAL A 34 7.955 -20.568 -2.527 1.00 0.00 N ATOM 484 CA VAL A 34 6.981 -20.340 -3.587 1.00 0.00 C ATOM 485 C VAL A 34 5.556 -20.457 -3.058 1.00 0.00 C ATOM 486 O VAL A 34 5.329 -20.968 -1.961 1.00 0.00 O ATOM 487 CB VAL A 34 7.170 -21.336 -4.747 1.00 0.00 C ATOM 488 CG1 VAL A 34 8.633 -21.410 -5.155 1.00 0.00 C ATOM 489 CG2 VAL A 34 6.646 -22.711 -4.358 1.00 0.00 C ATOM 0 H VAL A 34 7.682 -21.279 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 34 7.146 -19.328 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 34 6.597 -20.982 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.747 -22.119 -5.975 1.00 0.00 H new ATOM 0 HG12 VAL A 34 8.971 -20.425 -5.477 1.00 0.00 H new ATOM 0 HG13 VAL A 34 9.231 -21.740 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.787 -23.403 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.190 -23.075 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.585 -22.642 -4.120 1.00 0.00 H new ATOM 499 N LYS A 35 4.597 -19.981 -3.845 1.00 0.00 N ATOM 500 CA LYS A 35 3.192 -20.033 -3.458 1.00 0.00 C ATOM 501 C LYS A 35 2.918 -21.241 -2.569 1.00 0.00 C ATOM 502 O LYS A 35 2.663 -22.347 -3.045 1.00 0.00 O ATOM 503 CB LYS A 35 2.301 -20.088 -4.701 1.00 0.00 C ATOM 504 CG LYS A 35 2.403 -18.852 -5.578 1.00 0.00 C ATOM 505 CD LYS A 35 2.165 -19.185 -7.041 1.00 0.00 C ATOM 506 CE LYS A 35 2.487 -18.002 -7.942 1.00 0.00 C ATOM 507 NZ LYS A 35 1.297 -17.136 -8.167 1.00 0.00 N ATOM 0 H LYS A 35 4.767 -19.554 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 35 2.962 -19.129 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.568 -20.965 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.265 -20.218 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.675 -18.111 -5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.389 -18.403 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.780 -20.038 -7.326 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.125 -19.480 -7.184 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.286 -17.412 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.858 -18.366 -8.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.558 -16.342 -8.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.543 -17.693 -8.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.958 -16.768 -7.255 1.00 0.00 H new ATOM 521 N PRO A 36 2.968 -21.026 -1.246 1.00 0.00 N ATOM 522 CA PRO A 36 2.726 -22.086 -0.262 1.00 0.00 C ATOM 523 C PRO A 36 1.266 -22.527 -0.233 1.00 0.00 C ATOM 524 O PRO A 36 0.966 -23.718 -0.309 1.00 0.00 O ATOM 525 CB PRO A 36 3.113 -21.432 1.067 1.00 0.00 C ATOM 526 CG PRO A 36 2.929 -19.971 0.838 1.00 0.00 C ATOM 527 CD PRO A 36 3.266 -19.733 -0.608 1.00 0.00 C ATOM 0 HA PRO A 36 3.292 -22.990 -0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.482 -21.788 1.882 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.143 -21.664 1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.905 -19.668 1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.579 -19.389 1.491 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.667 -18.928 -1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.312 -19.453 -0.736 1.00 0.00 H new ATOM 535 N TYR A 37 0.363 -21.559 -0.124 1.00 0.00 N ATOM 536 CA TYR A 37 -1.066 -21.848 -0.083 1.00 0.00 C ATOM 537 C TYR A 37 -1.545 -22.414 -1.417 1.00 0.00 C ATOM 538 O TYR A 37 -1.428 -21.767 -2.458 1.00 0.00 O ATOM 539 CB TYR A 37 -1.854 -20.583 0.260 1.00 0.00 C ATOM 540 CG TYR A 37 -1.388 -19.905 1.528 1.00 0.00 C ATOM 541 CD1 TYR A 37 -1.713 -20.423 2.776 1.00 0.00 C ATOM 542 CD2 TYR A 37 -0.624 -18.745 1.479 1.00 0.00 C ATOM 543 CE1 TYR A 37 -1.290 -19.806 3.937 1.00 0.00 C ATOM 544 CE2 TYR A 37 -0.196 -18.123 2.636 1.00 0.00 C ATOM 545 CZ TYR A 37 -0.532 -18.657 3.862 1.00 0.00 C ATOM 546 OH TYR A 37 -0.108 -18.039 5.016 1.00 0.00 O ATOM 0 H TYR A 37 0.595 -20.568 -0.062 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.238 -22.596 0.691 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -1.774 -19.879 -0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -2.909 -20.838 0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.306 -21.323 2.839 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.361 -18.323 0.520 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.552 -20.222 4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.399 -17.223 2.580 1.00 0.00 H new ATOM 0 HH TYR A 37 0.416 -17.243 4.787 1.00 0.00 H new ATOM 556 N LYS A 38 -2.087 -23.626 -1.377 1.00 0.00 N ATOM 557 CA LYS A 38 -2.587 -24.281 -2.580 1.00 0.00 C ATOM 558 C LYS A 38 -4.010 -24.788 -2.371 1.00 0.00 C ATOM 559 O LYS A 38 -4.390 -25.167 -1.263 1.00 0.00 O ATOM 560 CB LYS A 38 -1.672 -25.444 -2.970 1.00 0.00 C ATOM 561 CG LYS A 38 -0.290 -25.006 -3.422 1.00 0.00 C ATOM 562 CD LYS A 38 0.519 -26.176 -3.956 1.00 0.00 C ATOM 563 CE LYS A 38 0.113 -26.531 -5.378 1.00 0.00 C ATOM 564 NZ LYS A 38 0.669 -27.846 -5.802 1.00 0.00 N ATOM 0 H LYS A 38 -2.191 -24.175 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.596 -23.548 -3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.570 -26.116 -2.118 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.144 -26.013 -3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.384 -24.244 -4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.239 -24.548 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.580 -25.928 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.379 -27.042 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.974 -26.556 -5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.459 -25.754 -6.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.370 -28.052 -6.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.708 -27.814 -5.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.319 -28.592 -5.168 1.00 0.00 H new ATOM 578 N CYS A 39 -4.795 -24.794 -3.444 1.00 0.00 N ATOM 579 CA CYS A 39 -6.176 -25.256 -3.380 1.00 0.00 C ATOM 580 C CYS A 39 -6.236 -26.762 -3.143 1.00 0.00 C ATOM 581 O CYS A 39 -5.281 -27.485 -3.428 1.00 0.00 O ATOM 582 CB CYS A 39 -6.915 -24.901 -4.672 1.00 0.00 C ATOM 583 SG CYS A 39 -8.695 -25.286 -4.640 1.00 0.00 S ATOM 0 H CYS A 39 -4.497 -24.484 -4.369 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.662 -24.755 -2.542 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.788 -23.837 -4.870 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.453 -25.437 -5.501 1.00 0.00 H new ATOM 588 N LYS A 40 -7.365 -27.229 -2.621 1.00 0.00 N ATOM 589 CA LYS A 40 -7.552 -28.648 -2.346 1.00 0.00 C ATOM 590 C LYS A 40 -8.092 -29.373 -3.575 1.00 0.00 C ATOM 591 O LYS A 40 -7.550 -30.397 -3.993 1.00 0.00 O ATOM 592 CB LYS A 40 -8.509 -28.839 -1.167 1.00 0.00 C ATOM 593 CG LYS A 40 -7.914 -28.435 0.170 1.00 0.00 C ATOM 594 CD LYS A 40 -8.625 -29.119 1.326 1.00 0.00 C ATOM 595 CE LYS A 40 -10.001 -28.517 1.569 1.00 0.00 C ATOM 596 NZ LYS A 40 -10.561 -28.927 2.886 1.00 0.00 N ATOM 0 H LYS A 40 -8.165 -26.644 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.582 -29.074 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.412 -28.255 -1.345 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.810 -29.886 -1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.855 -28.691 0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.983 -27.354 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.725 -30.184 1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.022 -29.029 2.230 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.935 -27.430 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.679 -28.827 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.499 -28.496 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.648 -29.963 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.927 -28.609 3.647 1.00 0.00 H new ATOM 610 N THR A 41 -9.162 -28.835 -4.152 1.00 0.00 N ATOM 611 CA THR A 41 -9.775 -29.430 -5.333 1.00 0.00 C ATOM 612 C THR A 41 -8.904 -29.223 -6.567 1.00 0.00 C ATOM 613 O THR A 41 -8.538 -30.181 -7.248 1.00 0.00 O ATOM 614 CB THR A 41 -11.172 -28.839 -5.599 1.00 0.00 C ATOM 615 OG1 THR A 41 -11.979 -28.938 -4.420 1.00 0.00 O ATOM 616 CG2 THR A 41 -11.856 -29.564 -6.749 1.00 0.00 C ATOM 0 H THR A 41 -9.622 -27.987 -3.820 1.00 0.00 H new ATOM 0 HA THR A 41 -9.873 -30.497 -5.135 1.00 0.00 H new ATOM 0 HB THR A 41 -11.053 -27.790 -5.870 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.865 -28.558 -4.597 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.841 -29.129 -6.919 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.254 -29.463 -7.652 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.963 -30.620 -6.501 1.00 0.00 H new ATOM 624 N CYS A 42 -8.576 -27.967 -6.850 1.00 0.00 N ATOM 625 CA CYS A 42 -7.748 -27.634 -8.002 1.00 0.00 C ATOM 626 C CYS A 42 -6.266 -27.678 -7.638 1.00 0.00 C ATOM 627 O CYS A 42 -5.907 -27.862 -6.475 1.00 0.00 O ATOM 628 CB CYS A 42 -8.112 -26.247 -8.534 1.00 0.00 C ATOM 629 SG CYS A 42 -9.867 -25.806 -8.321 1.00 0.00 S ATOM 0 H CYS A 42 -8.871 -27.163 -6.297 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.936 -28.375 -8.779 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.497 -25.503 -8.028 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.862 -26.199 -9.594 1.00 0.00 H new ATOM 634 N ASP A 43 -5.412 -27.508 -8.641 1.00 0.00 N ATOM 635 CA ASP A 43 -3.969 -27.527 -8.428 1.00 0.00 C ATOM 636 C ASP A 43 -3.395 -26.114 -8.474 1.00 0.00 C ATOM 637 O ASP A 43 -2.197 -25.927 -8.688 1.00 0.00 O ATOM 638 CB ASP A 43 -3.288 -28.403 -9.480 1.00 0.00 C ATOM 639 CG ASP A 43 -3.344 -27.791 -10.866 1.00 0.00 C ATOM 640 OD1 ASP A 43 -4.442 -27.370 -11.284 1.00 0.00 O ATOM 641 OD2 ASP A 43 -2.289 -27.735 -11.533 1.00 0.00 O ATOM 0 H ASP A 43 -5.693 -27.355 -9.609 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.777 -27.946 -7.440 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.247 -28.562 -9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.767 -29.382 -9.499 1.00 0.00 H new ATOM 646 N TYR A 44 -4.256 -25.124 -8.273 1.00 0.00 N ATOM 647 CA TYR A 44 -3.836 -23.728 -8.295 1.00 0.00 C ATOM 648 C TYR A 44 -2.973 -23.400 -7.080 1.00 0.00 C ATOM 649 O TYR A 44 -3.076 -24.047 -6.039 1.00 0.00 O ATOM 650 CB TYR A 44 -5.056 -22.806 -8.333 1.00 0.00 C ATOM 651 CG TYR A 44 -4.745 -21.376 -7.954 1.00 0.00 C ATOM 652 CD1 TYR A 44 -3.861 -20.613 -8.707 1.00 0.00 C ATOM 653 CD2 TYR A 44 -5.337 -20.786 -6.844 1.00 0.00 C ATOM 654 CE1 TYR A 44 -3.575 -19.306 -8.364 1.00 0.00 C ATOM 655 CE2 TYR A 44 -5.058 -19.479 -6.494 1.00 0.00 C ATOM 656 CZ TYR A 44 -4.175 -18.743 -7.257 1.00 0.00 C ATOM 657 OH TYR A 44 -3.893 -17.441 -6.913 1.00 0.00 O ATOM 0 H TYR A 44 -5.250 -25.262 -8.093 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.241 -23.568 -9.194 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.483 -22.823 -9.336 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.817 -23.195 -7.656 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.390 -21.049 -9.575 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -6.028 -21.360 -6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.885 -18.727 -8.960 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.528 -19.036 -5.628 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.399 -17.198 -6.110 1.00 0.00 H new ATOM 667 N ALA A 45 -2.123 -22.388 -7.222 1.00 0.00 N ATOM 668 CA ALA A 45 -1.244 -21.971 -6.137 1.00 0.00 C ATOM 669 C ALA A 45 -1.289 -20.459 -5.945 1.00 0.00 C ATOM 670 O ALA A 45 -1.291 -19.700 -6.914 1.00 0.00 O ATOM 671 CB ALA A 45 0.182 -22.428 -6.406 1.00 0.00 C ATOM 0 H ALA A 45 -2.025 -21.842 -8.078 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.596 -22.439 -5.218 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.827 -22.109 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.207 -23.515 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.535 -21.988 -7.338 1.00 0.00 H new ATOM 677 N ALA A 46 -1.326 -20.027 -4.688 1.00 0.00 N ATOM 678 CA ALA A 46 -1.370 -18.605 -4.370 1.00 0.00 C ATOM 679 C ALA A 46 -0.184 -18.201 -3.500 1.00 0.00 C ATOM 680 O ALA A 46 0.272 -18.974 -2.658 1.00 0.00 O ATOM 681 CB ALA A 46 -2.679 -18.260 -3.675 1.00 0.00 C ATOM 0 H ALA A 46 -1.326 -20.642 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.309 -18.046 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.698 -17.195 -3.443 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.515 -18.504 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.763 -18.834 -2.752 1.00 0.00 H new ATOM 687 N ALA A 47 0.311 -16.986 -3.710 1.00 0.00 N ATOM 688 CA ALA A 47 1.442 -16.479 -2.944 1.00 0.00 C ATOM 689 C ALA A 47 1.003 -16.010 -1.561 1.00 0.00 C ATOM 690 O ALA A 47 1.655 -16.304 -0.559 1.00 0.00 O ATOM 691 CB ALA A 47 2.123 -15.345 -3.696 1.00 0.00 C ATOM 0 H ALA A 47 -0.054 -16.334 -4.405 1.00 0.00 H new ATOM 0 HA ALA A 47 2.154 -17.294 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.966 -14.976 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.481 -15.710 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.411 -14.536 -3.857 1.00 0.00 H new ATOM 697 N ASP A 48 -0.105 -15.279 -1.513 1.00 0.00 N ATOM 698 CA ASP A 48 -0.632 -14.769 -0.253 1.00 0.00 C ATOM 699 C ASP A 48 -1.754 -15.662 0.268 1.00 0.00 C ATOM 700 O ASP A 48 -2.352 -16.428 -0.488 1.00 0.00 O ATOM 701 CB ASP A 48 -1.141 -13.338 -0.429 1.00 0.00 C ATOM 702 CG ASP A 48 -0.014 -12.340 -0.604 1.00 0.00 C ATOM 703 OD1 ASP A 48 0.704 -12.427 -1.622 1.00 0.00 O ATOM 704 OD2 ASP A 48 0.150 -11.471 0.278 1.00 0.00 O ATOM 0 H ASP A 48 -0.656 -15.026 -2.333 1.00 0.00 H new ATOM 0 HA ASP A 48 0.177 -14.770 0.477 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.799 -13.294 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.738 -13.059 0.439 1.00 0.00 H new ATOM 709 N SER A 49 -2.035 -15.557 1.563 1.00 0.00 N ATOM 710 CA SER A 49 -3.083 -16.358 2.185 1.00 0.00 C ATOM 711 C SER A 49 -4.464 -15.883 1.744 1.00 0.00 C ATOM 712 O SER A 49 -5.310 -16.684 1.346 1.00 0.00 O ATOM 713 CB SER A 49 -2.970 -16.288 3.709 1.00 0.00 C ATOM 714 OG SER A 49 -3.018 -14.946 4.163 1.00 0.00 O ATOM 0 H SER A 49 -1.552 -14.925 2.202 1.00 0.00 H new ATOM 0 HA SER A 49 -2.954 -17.392 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.780 -16.858 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.036 -16.750 4.029 1.00 0.00 H new ATOM 0 HG SER A 49 -2.946 -14.928 5.140 1.00 0.00 H new ATOM 720 N SER A 50 -4.685 -14.575 1.817 1.00 0.00 N ATOM 721 CA SER A 50 -5.964 -13.992 1.429 1.00 0.00 C ATOM 722 C SER A 50 -6.277 -14.294 -0.033 1.00 0.00 C ATOM 723 O SER A 50 -7.432 -14.247 -0.455 1.00 0.00 O ATOM 724 CB SER A 50 -5.950 -12.480 1.659 1.00 0.00 C ATOM 725 OG SER A 50 -4.769 -11.896 1.136 1.00 0.00 O ATOM 0 H SER A 50 -3.994 -13.898 2.142 1.00 0.00 H new ATOM 0 HA SER A 50 -6.742 -14.438 2.048 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.823 -12.029 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.021 -12.271 2.726 1.00 0.00 H new ATOM 0 HG SER A 50 -4.785 -10.929 1.294 1.00 0.00 H new ATOM 731 N SER A 51 -5.238 -14.603 -0.802 1.00 0.00 N ATOM 732 CA SER A 51 -5.400 -14.909 -2.219 1.00 0.00 C ATOM 733 C SER A 51 -6.170 -16.212 -2.409 1.00 0.00 C ATOM 734 O SER A 51 -7.093 -16.288 -3.221 1.00 0.00 O ATOM 735 CB SER A 51 -4.034 -15.007 -2.901 1.00 0.00 C ATOM 736 OG SER A 51 -3.551 -13.724 -3.263 1.00 0.00 O ATOM 0 H SER A 51 -4.275 -14.648 -0.468 1.00 0.00 H new ATOM 0 HA SER A 51 -5.970 -14.100 -2.677 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.323 -15.491 -2.231 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.112 -15.634 -3.789 1.00 0.00 H new ATOM 0 HG SER A 51 -2.676 -13.814 -3.695 1.00 0.00 H new ATOM 742 N LEU A 52 -5.785 -17.235 -1.655 1.00 0.00 N ATOM 743 CA LEU A 52 -6.438 -18.536 -1.739 1.00 0.00 C ATOM 744 C LEU A 52 -7.868 -18.463 -1.212 1.00 0.00 C ATOM 745 O LEU A 52 -8.772 -19.099 -1.751 1.00 0.00 O ATOM 746 CB LEU A 52 -5.645 -19.579 -0.950 1.00 0.00 C ATOM 747 CG LEU A 52 -6.188 -21.008 -0.991 1.00 0.00 C ATOM 748 CD1 LEU A 52 -5.596 -21.771 -2.166 1.00 0.00 C ATOM 749 CD2 LEU A 52 -5.895 -21.728 0.317 1.00 0.00 C ATOM 0 H LEU A 52 -5.023 -17.189 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.471 -18.831 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.622 -19.590 -1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.598 -19.259 0.091 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.269 -20.961 -1.122 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.994 -22.786 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.858 -21.267 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.511 -21.808 -2.066 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.289 -22.743 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.818 -21.764 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.368 -21.193 1.141 1.00 0.00 H new ATOM 761 N ASN A 53 -8.064 -17.680 -0.156 1.00 0.00 N ATOM 762 CA ASN A 53 -9.384 -17.522 0.444 1.00 0.00 C ATOM 763 C ASN A 53 -10.407 -17.085 -0.601 1.00 0.00 C ATOM 764 O ASN A 53 -11.564 -17.505 -0.568 1.00 0.00 O ATOM 765 CB ASN A 53 -9.332 -16.500 1.581 1.00 0.00 C ATOM 766 CG ASN A 53 -8.908 -17.121 2.898 1.00 0.00 C ATOM 767 OD1 ASN A 53 -7.784 -17.604 3.036 1.00 0.00 O ATOM 768 ND2 ASN A 53 -9.810 -17.113 3.873 1.00 0.00 N ATOM 0 H ASN A 53 -7.326 -17.145 0.302 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.691 -18.487 0.847 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.637 -15.703 1.318 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.314 -16.041 1.698 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.583 -17.518 4.781 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.730 -16.702 3.714 1.00 0.00 H new ATOM 775 N LYS A 54 -9.972 -16.239 -1.529 1.00 0.00 N ATOM 776 CA LYS A 54 -10.847 -15.745 -2.585 1.00 0.00 C ATOM 777 C LYS A 54 -11.216 -16.864 -3.554 1.00 0.00 C ATOM 778 O LYS A 54 -12.379 -17.017 -3.928 1.00 0.00 O ATOM 779 CB LYS A 54 -10.170 -14.601 -3.344 1.00 0.00 C ATOM 780 CG LYS A 54 -11.030 -14.010 -4.448 1.00 0.00 C ATOM 781 CD LYS A 54 -10.803 -14.720 -5.772 1.00 0.00 C ATOM 782 CE LYS A 54 -9.663 -14.088 -6.555 1.00 0.00 C ATOM 783 NZ LYS A 54 -9.587 -14.614 -7.946 1.00 0.00 N ATOM 0 H LYS A 54 -9.018 -15.881 -1.571 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.761 -15.374 -2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.908 -13.813 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.238 -14.965 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.081 -14.084 -4.170 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.803 -12.950 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.581 -15.771 -5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -11.716 -14.686 -6.366 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.797 -13.007 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.720 -14.279 -6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.797 -14.159 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.434 -15.642 -7.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.477 -14.409 -8.444 1.00 0.00 H new ATOM 797 N HIS A 55 -10.218 -17.646 -3.955 1.00 0.00 N ATOM 798 CA HIS A 55 -10.438 -18.753 -4.879 1.00 0.00 C ATOM 799 C HIS A 55 -11.608 -19.618 -4.421 1.00 0.00 C ATOM 800 O HIS A 55 -12.474 -19.982 -5.218 1.00 0.00 O ATOM 801 CB HIS A 55 -9.174 -19.605 -4.997 1.00 0.00 C ATOM 802 CG HIS A 55 -9.327 -20.778 -5.915 1.00 0.00 C ATOM 803 ND1 HIS A 55 -9.193 -20.685 -7.284 1.00 0.00 N ATOM 804 CD2 HIS A 55 -9.602 -22.077 -5.653 1.00 0.00 C ATOM 805 CE1 HIS A 55 -9.380 -21.875 -7.825 1.00 0.00 C ATOM 806 NE2 HIS A 55 -9.630 -22.738 -6.857 1.00 0.00 N ATOM 0 H HIS A 55 -9.250 -17.533 -3.655 1.00 0.00 H new ATOM 0 HA HIS A 55 -10.678 -18.336 -5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.356 -18.979 -5.353 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -8.893 -19.963 -4.007 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -8.982 -19.830 -7.799 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -9.768 -22.513 -4.679 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.336 -22.104 -8.880 1.00 0.00 H new ATOM 814 N LEU A 56 -11.629 -19.944 -3.133 1.00 0.00 N ATOM 815 CA LEU A 56 -12.692 -20.767 -2.569 1.00 0.00 C ATOM 816 C LEU A 56 -14.060 -20.294 -3.050 1.00 0.00 C ATOM 817 O LEU A 56 -15.031 -21.050 -3.033 1.00 0.00 O ATOM 818 CB LEU A 56 -12.636 -20.732 -1.041 1.00 0.00 C ATOM 819 CG LEU A 56 -11.289 -21.089 -0.411 1.00 0.00 C ATOM 820 CD1 LEU A 56 -11.342 -20.911 1.099 1.00 0.00 C ATOM 821 CD2 LEU A 56 -10.895 -22.515 -0.768 1.00 0.00 C ATOM 0 H LEU A 56 -10.921 -19.650 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 56 -12.542 -21.792 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.916 -19.732 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.389 -21.418 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.532 -20.413 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.375 -21.170 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.579 -19.874 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.111 -21.562 1.515 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.934 -22.752 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -11.653 -23.205 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.815 -22.610 -1.851 1.00 0.00 H new ATOM 833 N ARG A 57 -14.129 -19.038 -3.480 1.00 0.00 N ATOM 834 CA ARG A 57 -15.378 -18.464 -3.966 1.00 0.00 C ATOM 835 C ARG A 57 -15.792 -19.104 -5.288 1.00 0.00 C ATOM 836 O ARG A 57 -16.883 -19.662 -5.403 1.00 0.00 O ATOM 837 CB ARG A 57 -15.234 -16.951 -4.143 1.00 0.00 C ATOM 838 CG ARG A 57 -15.024 -16.203 -2.837 1.00 0.00 C ATOM 839 CD ARG A 57 -14.860 -14.709 -3.070 1.00 0.00 C ATOM 840 NE ARG A 57 -14.787 -13.964 -1.817 1.00 0.00 N ATOM 841 CZ ARG A 57 -14.254 -12.751 -1.713 1.00 0.00 C ATOM 842 NH1 ARG A 57 -13.750 -12.151 -2.782 1.00 0.00 N ATOM 843 NH2 ARG A 57 -14.224 -12.137 -0.537 1.00 0.00 N ATOM 0 H ARG A 57 -13.335 -18.399 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.153 -18.664 -3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.393 -16.750 -4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.127 -16.564 -4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.873 -16.378 -2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.140 -16.593 -2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.955 -14.530 -3.651 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.698 -14.341 -3.662 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.166 -14.398 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.771 -12.620 -3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.342 -11.220 -2.699 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -14.610 -12.596 0.288 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.815 -11.206 -0.458 1.00 0.00 H new ATOM 857 N ILE A 58 -14.913 -19.018 -6.281 1.00 0.00 N ATOM 858 CA ILE A 58 -15.188 -19.590 -7.594 1.00 0.00 C ATOM 859 C ILE A 58 -15.965 -20.896 -7.474 1.00 0.00 C ATOM 860 O ILE A 58 -16.896 -21.150 -8.239 1.00 0.00 O ATOM 861 CB ILE A 58 -13.888 -19.849 -8.378 1.00 0.00 C ATOM 862 CG1 ILE A 58 -13.351 -21.248 -8.068 1.00 0.00 C ATOM 863 CG2 ILE A 58 -12.847 -18.791 -8.044 1.00 0.00 C ATOM 864 CD1 ILE A 58 -12.056 -21.570 -8.781 1.00 0.00 C ATOM 0 H ILE A 58 -14.006 -18.559 -6.202 1.00 0.00 H new ATOM 0 HA ILE A 58 -15.791 -18.861 -8.136 1.00 0.00 H new ATOM 0 HB ILE A 58 -14.107 -19.791 -9.444 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.197 -21.339 -6.993 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.103 -21.987 -8.346 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.934 -18.988 -8.606 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -13.231 -17.806 -8.310 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -12.629 -18.819 -6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.734 -22.577 -8.514 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.210 -21.512 -9.859 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.290 -20.854 -8.484 1.00 0.00 H new ATOM 876 N HIS A 59 -15.578 -21.722 -6.507 1.00 0.00 N ATOM 877 CA HIS A 59 -16.241 -23.002 -6.284 1.00 0.00 C ATOM 878 C HIS A 59 -17.700 -22.797 -5.890 1.00 0.00 C ATOM 879 O HIS A 59 -18.193 -21.669 -5.862 1.00 0.00 O ATOM 880 CB HIS A 59 -15.514 -23.794 -5.196 1.00 0.00 C ATOM 881 CG HIS A 59 -14.168 -24.297 -5.620 1.00 0.00 C ATOM 882 ND1 HIS A 59 -13.998 -25.284 -6.568 1.00 0.00 N ATOM 883 CD2 HIS A 59 -12.924 -23.943 -5.221 1.00 0.00 C ATOM 884 CE1 HIS A 59 -12.708 -25.517 -6.732 1.00 0.00 C ATOM 885 NE2 HIS A 59 -12.035 -24.715 -5.927 1.00 0.00 N ATOM 0 H HIS A 59 -14.809 -21.528 -5.866 1.00 0.00 H new ATOM 0 HA HIS A 59 -16.210 -23.566 -7.216 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -15.396 -23.162 -4.316 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -16.133 -24.641 -4.900 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -14.751 -25.760 -7.065 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.677 -23.193 -4.484 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.277 -26.240 -7.409 1.00 0.00 H new ATOM 893 N SER A 60 -18.387 -23.894 -5.588 1.00 0.00 N ATOM 894 CA SER A 60 -19.791 -23.835 -5.201 1.00 0.00 C ATOM 895 C SER A 60 -20.553 -22.839 -6.069 1.00 0.00 C ATOM 896 O SER A 60 -21.574 -22.290 -5.655 1.00 0.00 O ATOM 897 CB SER A 60 -19.920 -23.447 -3.727 1.00 0.00 C ATOM 898 OG SER A 60 -19.283 -22.207 -3.469 1.00 0.00 O ATOM 0 H SER A 60 -17.993 -24.835 -5.604 1.00 0.00 H new ATOM 0 HA SER A 60 -20.224 -24.824 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 60 -20.974 -23.382 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 60 -19.478 -24.224 -3.103 1.00 0.00 H new ATOM 0 HG SER A 60 -19.130 -21.735 -4.314 1.00 0.00 H new ATOM 904 N ASP A 61 -20.048 -22.610 -7.277 1.00 0.00 N ATOM 905 CA ASP A 61 -20.680 -21.681 -8.206 1.00 0.00 C ATOM 906 C ASP A 61 -21.307 -20.507 -7.459 1.00 0.00 C ATOM 907 O ASP A 61 -22.422 -20.088 -7.767 1.00 0.00 O ATOM 908 CB ASP A 61 -21.745 -22.400 -9.035 1.00 0.00 C ATOM 909 CG ASP A 61 -21.143 -23.253 -10.135 1.00 0.00 C ATOM 910 OD1 ASP A 61 -20.221 -24.039 -9.838 1.00 0.00 O ATOM 911 OD2 ASP A 61 -21.595 -23.132 -11.294 1.00 0.00 O ATOM 0 H ASP A 61 -19.203 -23.055 -7.635 1.00 0.00 H new ATOM 0 HA ASP A 61 -19.910 -21.295 -8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -22.348 -23.029 -8.380 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -22.416 -21.664 -9.476 1.00 0.00 H new ATOM 916 N GLU A 62 -20.582 -19.984 -6.475 1.00 0.00 N ATOM 917 CA GLU A 62 -21.069 -18.860 -5.683 1.00 0.00 C ATOM 918 C GLU A 62 -21.862 -17.887 -6.550 1.00 0.00 C ATOM 919 O GLU A 62 -21.518 -17.647 -7.708 1.00 0.00 O ATOM 920 CB GLU A 62 -19.899 -18.131 -5.019 1.00 0.00 C ATOM 921 CG GLU A 62 -19.007 -17.390 -6.001 1.00 0.00 C ATOM 922 CD GLU A 62 -18.850 -18.127 -7.317 1.00 0.00 C ATOM 923 OE1 GLU A 62 -18.371 -19.279 -7.299 1.00 0.00 O ATOM 924 OE2 GLU A 62 -19.207 -17.549 -8.365 1.00 0.00 O ATOM 0 H GLU A 62 -19.657 -20.320 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.730 -19.252 -4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -20.291 -17.421 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.297 -18.854 -4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.424 -16.401 -6.190 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.025 -17.241 -5.553 1.00 0.00 H new ATOM 931 N ARG A 63 -22.926 -17.329 -5.982 1.00 0.00 N ATOM 932 CA ARG A 63 -23.770 -16.384 -6.702 1.00 0.00 C ATOM 933 C ARG A 63 -24.281 -16.994 -8.005 1.00 0.00 C ATOM 934 O ARG A 63 -24.129 -16.425 -9.086 1.00 0.00 O ATOM 935 CB ARG A 63 -22.996 -15.098 -6.998 1.00 0.00 C ATOM 936 CG ARG A 63 -23.094 -14.060 -5.892 1.00 0.00 C ATOM 937 CD ARG A 63 -21.888 -13.134 -5.888 1.00 0.00 C ATOM 938 NE ARG A 63 -22.079 -11.989 -5.002 1.00 0.00 N ATOM 939 CZ ARG A 63 -21.092 -11.196 -4.602 1.00 0.00 C ATOM 940 NH1 ARG A 63 -19.850 -11.421 -5.009 1.00 0.00 N ATOM 941 NH2 ARG A 63 -21.346 -10.174 -3.795 1.00 0.00 N ATOM 0 H ARG A 63 -23.224 -17.515 -5.024 1.00 0.00 H new ATOM 0 HA ARG A 63 -24.627 -16.147 -6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -21.947 -15.345 -7.161 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -23.370 -14.664 -7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -24.004 -13.474 -6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -23.172 -14.561 -4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -21.005 -13.691 -5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -21.699 -12.780 -6.902 1.00 0.00 H new ATOM 0 HE ARG A 63 -23.023 -11.787 -4.672 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -19.651 -12.205 -5.631 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -19.094 -10.810 -4.700 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -22.300 -9.997 -3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -20.587 -9.565 -3.488 1.00 0.00 H new ATOM 955 N PRO A 64 -24.899 -18.179 -7.901 1.00 0.00 N ATOM 956 CA PRO A 64 -25.444 -18.892 -9.060 1.00 0.00 C ATOM 957 C PRO A 64 -26.667 -18.195 -9.647 1.00 0.00 C ATOM 958 O PRO A 64 -27.047 -18.444 -10.791 1.00 0.00 O ATOM 959 CB PRO A 64 -25.831 -20.258 -8.487 1.00 0.00 C ATOM 960 CG PRO A 64 -26.071 -20.007 -7.038 1.00 0.00 C ATOM 961 CD PRO A 64 -25.115 -18.915 -6.644 1.00 0.00 C ATOM 0 HA PRO A 64 -24.727 -18.946 -9.879 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -26.723 -20.653 -8.973 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -25.036 -20.989 -8.636 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -27.103 -19.705 -6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -25.897 -20.909 -6.451 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -25.536 -18.273 -5.870 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -24.183 -19.320 -6.250 1.00 0.00 H new ATOM 969 N PHE A 65 -27.280 -17.319 -8.856 1.00 0.00 N ATOM 970 CA PHE A 65 -28.460 -16.586 -9.298 1.00 0.00 C ATOM 971 C PHE A 65 -28.064 -15.317 -10.046 1.00 0.00 C ATOM 972 O PHE A 65 -27.123 -14.622 -9.659 1.00 0.00 O ATOM 973 CB PHE A 65 -29.344 -16.231 -8.100 1.00 0.00 C ATOM 974 CG PHE A 65 -30.189 -17.376 -7.619 1.00 0.00 C ATOM 975 CD1 PHE A 65 -31.366 -17.707 -8.270 1.00 0.00 C ATOM 976 CD2 PHE A 65 -29.806 -18.121 -6.515 1.00 0.00 C ATOM 977 CE1 PHE A 65 -32.146 -18.759 -7.828 1.00 0.00 C ATOM 978 CE2 PHE A 65 -30.581 -19.175 -6.069 1.00 0.00 C ATOM 979 CZ PHE A 65 -31.752 -19.495 -6.727 1.00 0.00 C ATOM 0 H PHE A 65 -26.979 -17.100 -7.906 1.00 0.00 H new ATOM 0 HA PHE A 65 -29.021 -17.227 -9.978 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -28.712 -15.887 -7.281 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -29.994 -15.399 -8.372 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -31.678 -17.137 -9.133 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -28.891 -17.875 -5.997 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -33.063 -19.006 -8.343 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -30.271 -19.747 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 65 -32.359 -20.319 -6.382 1.00 0.00 H new ATOM 989 N LYS A 66 -28.788 -15.019 -11.120 1.00 0.00 N ATOM 990 CA LYS A 66 -28.514 -13.834 -11.923 1.00 0.00 C ATOM 991 C LYS A 66 -29.811 -13.198 -12.413 1.00 0.00 C ATOM 992 O LYS A 66 -30.799 -13.890 -12.661 1.00 0.00 O ATOM 993 CB LYS A 66 -27.628 -14.195 -13.117 1.00 0.00 C ATOM 994 CG LYS A 66 -26.278 -14.768 -12.721 1.00 0.00 C ATOM 995 CD LYS A 66 -25.507 -15.267 -13.932 1.00 0.00 C ATOM 996 CE LYS A 66 -24.432 -16.267 -13.536 1.00 0.00 C ATOM 997 NZ LYS A 66 -24.121 -17.215 -14.641 1.00 0.00 N ATOM 0 H LYS A 66 -29.570 -15.583 -11.454 1.00 0.00 H new ATOM 0 HA LYS A 66 -27.990 -13.113 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -28.152 -14.919 -13.742 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -27.471 -13.304 -13.725 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -25.695 -14.005 -12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -26.422 -15.588 -12.017 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -26.196 -15.732 -14.637 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -25.048 -14.422 -14.446 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -23.526 -15.732 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -24.761 -16.826 -12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -23.384 -17.880 -14.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -24.979 -17.744 -14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -23.782 -16.684 -15.469 1.00 0.00 H new ATOM 1011 N CYS A 67 -29.801 -11.876 -12.552 1.00 0.00 N ATOM 1012 CA CYS A 67 -30.975 -11.146 -13.014 1.00 0.00 C ATOM 1013 C CYS A 67 -30.861 -10.815 -14.499 1.00 0.00 C ATOM 1014 O CYS A 67 -29.762 -10.621 -15.019 1.00 0.00 O ATOM 1015 CB CYS A 67 -31.152 -9.859 -12.206 1.00 0.00 C ATOM 1016 SG CYS A 67 -32.648 -8.912 -12.634 1.00 0.00 S ATOM 0 H CYS A 67 -28.992 -11.288 -12.351 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.848 -11.782 -12.868 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.185 -10.110 -11.146 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -30.278 -9.225 -12.357 1.00 0.00 H new ATOM 1021 N GLN A 68 -32.004 -10.753 -15.176 1.00 0.00 N ATOM 1022 CA GLN A 68 -32.031 -10.446 -16.601 1.00 0.00 C ATOM 1023 C GLN A 68 -31.949 -8.941 -16.835 1.00 0.00 C ATOM 1024 O GLN A 68 -30.979 -8.445 -17.409 1.00 0.00 O ATOM 1025 CB GLN A 68 -33.304 -11.004 -17.240 1.00 0.00 C ATOM 1026 CG GLN A 68 -33.298 -12.517 -17.386 1.00 0.00 C ATOM 1027 CD GLN A 68 -32.178 -13.012 -18.280 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -31.114 -13.406 -17.802 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -32.412 -12.996 -19.587 1.00 0.00 N ATOM 0 H GLN A 68 -32.922 -10.911 -14.761 1.00 0.00 H new ATOM 0 HA GLN A 68 -31.164 -10.916 -17.065 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -34.163 -10.709 -16.637 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -33.435 -10.553 -18.224 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -33.200 -12.973 -16.401 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -34.255 -12.843 -17.794 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -33.308 -12.661 -19.941 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -31.695 -13.319 -20.237 1.00 0.00 H new ATOM 1038 N ILE A 69 -32.971 -8.220 -16.387 1.00 0.00 N ATOM 1039 CA ILE A 69 -33.013 -6.772 -16.548 1.00 0.00 C ATOM 1040 C ILE A 69 -31.664 -6.143 -16.218 1.00 0.00 C ATOM 1041 O ILE A 69 -31.189 -5.258 -16.930 1.00 0.00 O ATOM 1042 CB ILE A 69 -34.095 -6.138 -15.654 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -35.471 -6.715 -15.993 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -34.095 -4.625 -15.815 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -36.509 -6.472 -14.920 1.00 0.00 C ATOM 0 H ILE A 69 -33.781 -8.615 -15.910 1.00 0.00 H new ATOM 0 HA ILE A 69 -33.256 -6.577 -17.593 1.00 0.00 H new ATOM 0 HB ILE A 69 -33.870 -6.374 -14.614 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -35.819 -6.278 -16.929 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -35.375 -7.788 -16.158 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -34.865 -4.191 -15.177 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -33.121 -4.229 -15.529 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -34.299 -4.370 -16.855 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -37.459 -6.908 -15.228 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -36.183 -6.933 -13.988 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -36.633 -5.400 -14.770 1.00 0.00 H new ATOM 1057 N CYS A 70 -31.050 -6.607 -15.135 1.00 0.00 N ATOM 1058 CA CYS A 70 -29.754 -6.092 -14.711 1.00 0.00 C ATOM 1059 C CYS A 70 -28.774 -7.233 -14.450 1.00 0.00 C ATOM 1060 O CYS A 70 -29.162 -8.354 -14.121 1.00 0.00 O ATOM 1061 CB CYS A 70 -29.909 -5.240 -13.450 1.00 0.00 C ATOM 1062 SG CYS A 70 -30.298 -6.195 -11.949 1.00 0.00 S ATOM 0 H CYS A 70 -31.429 -7.339 -14.535 1.00 0.00 H new ATOM 0 HA CYS A 70 -29.357 -5.472 -15.514 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -28.986 -4.684 -13.285 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -30.698 -4.506 -13.615 1.00 0.00 H new ATOM 1067 N PRO A 71 -27.473 -6.941 -14.599 1.00 0.00 N ATOM 1068 CA PRO A 71 -26.411 -7.928 -14.383 1.00 0.00 C ATOM 1069 C PRO A 71 -26.259 -8.304 -12.913 1.00 0.00 C ATOM 1070 O PRO A 71 -25.331 -9.022 -12.539 1.00 0.00 O ATOM 1071 CB PRO A 71 -25.155 -7.212 -14.885 1.00 0.00 C ATOM 1072 CG PRO A 71 -25.463 -5.762 -14.742 1.00 0.00 C ATOM 1073 CD PRO A 71 -26.940 -5.625 -14.989 1.00 0.00 C ATOM 0 HA PRO A 71 -26.617 -8.867 -14.896 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -24.279 -7.490 -14.298 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -24.940 -7.471 -15.922 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -25.199 -5.403 -13.747 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -24.891 -5.170 -15.456 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -27.375 -4.822 -14.393 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -27.154 -5.398 -16.033 1.00 0.00 H new ATOM 1081 N TYR A 72 -27.175 -7.816 -12.085 1.00 0.00 N ATOM 1082 CA TYR A 72 -27.141 -8.100 -10.655 1.00 0.00 C ATOM 1083 C TYR A 72 -26.984 -9.596 -10.400 1.00 0.00 C ATOM 1084 O TYR A 72 -27.401 -10.423 -11.211 1.00 0.00 O ATOM 1085 CB TYR A 72 -28.416 -7.588 -9.982 1.00 0.00 C ATOM 1086 CG TYR A 72 -28.486 -7.897 -8.503 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -27.794 -7.123 -7.579 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -29.242 -8.963 -8.031 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -27.855 -7.402 -6.227 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -29.309 -9.248 -6.681 1.00 0.00 C ATOM 1091 CZ TYR A 72 -28.613 -8.465 -5.783 1.00 0.00 C ATOM 1092 OH TYR A 72 -28.676 -8.746 -4.437 1.00 0.00 O ATOM 0 H TYR A 72 -27.950 -7.222 -12.379 1.00 0.00 H new ATOM 0 HA TYR A 72 -26.280 -7.585 -10.228 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -28.483 -6.509 -10.123 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -29.281 -8.029 -10.478 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -27.199 -6.290 -7.923 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -29.786 -9.579 -8.731 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -27.312 -6.791 -5.522 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -29.903 -10.079 -6.330 1.00 0.00 H new ATOM 0 HH TYR A 72 -29.253 -9.525 -4.292 1.00 0.00 H new ATOM 1102 N ALA A 73 -26.378 -9.936 -9.267 1.00 0.00 N ATOM 1103 CA ALA A 73 -26.167 -11.331 -8.902 1.00 0.00 C ATOM 1104 C ALA A 73 -26.156 -11.507 -7.387 1.00 0.00 C ATOM 1105 O ALA A 73 -25.589 -10.690 -6.662 1.00 0.00 O ATOM 1106 CB ALA A 73 -24.867 -11.843 -9.504 1.00 0.00 C ATOM 0 H ALA A 73 -26.025 -9.264 -8.586 1.00 0.00 H new ATOM 0 HA ALA A 73 -26.995 -11.915 -9.303 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -24.722 -12.886 -9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -24.912 -11.762 -10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -24.034 -11.248 -9.131 1.00 0.00 H new ATOM 1112 N SER A 74 -26.787 -12.578 -6.916 1.00 0.00 N ATOM 1113 CA SER A 74 -26.854 -12.858 -5.486 1.00 0.00 C ATOM 1114 C SER A 74 -26.605 -14.338 -5.211 1.00 0.00 C ATOM 1115 O SER A 74 -26.654 -15.167 -6.120 1.00 0.00 O ATOM 1116 CB SER A 74 -28.217 -12.446 -4.927 1.00 0.00 C ATOM 1117 OG SER A 74 -28.131 -12.141 -3.546 1.00 0.00 O ATOM 0 H SER A 74 -27.259 -13.266 -7.503 1.00 0.00 H new ATOM 0 HA SER A 74 -26.076 -12.278 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 74 -28.590 -11.578 -5.472 1.00 0.00 H new ATOM 0 HB3 SER A 74 -28.935 -13.251 -5.081 1.00 0.00 H new ATOM 0 HG SER A 74 -28.802 -11.464 -3.318 1.00 0.00 H new ATOM 1123 N ARG A 75 -26.337 -14.662 -3.950 1.00 0.00 N ATOM 1124 CA ARG A 75 -26.078 -16.041 -3.554 1.00 0.00 C ATOM 1125 C ARG A 75 -27.282 -16.632 -2.827 1.00 0.00 C ATOM 1126 O ARG A 75 -27.152 -17.593 -2.070 1.00 0.00 O ATOM 1127 CB ARG A 75 -24.841 -16.112 -2.656 1.00 0.00 C ATOM 1128 CG ARG A 75 -25.040 -15.470 -1.293 1.00 0.00 C ATOM 1129 CD ARG A 75 -23.860 -15.741 -0.373 1.00 0.00 C ATOM 1130 NE ARG A 75 -23.652 -17.170 -0.155 1.00 0.00 N ATOM 1131 CZ ARG A 75 -22.930 -17.939 -0.963 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -22.349 -17.418 -2.035 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -22.787 -19.231 -0.698 1.00 0.00 N ATOM 0 H ARG A 75 -26.294 -13.988 -3.185 1.00 0.00 H new ATOM 0 HA ARG A 75 -25.897 -16.625 -4.457 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -24.562 -17.157 -2.519 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -24.008 -15.623 -3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -25.171 -14.394 -1.412 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -25.953 -15.854 -0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -22.958 -15.305 -0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -24.027 -15.249 0.585 1.00 0.00 H new ATOM 0 HE ARG A 75 -24.084 -17.601 0.662 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -22.456 -16.425 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -21.795 -18.010 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -23.231 -19.635 0.127 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -22.233 -19.821 -1.319 1.00 0.00 H new ATOM 1147 N ASN A 76 -28.454 -16.050 -3.063 1.00 0.00 N ATOM 1148 CA ASN A 76 -29.681 -16.519 -2.429 1.00 0.00 C ATOM 1149 C ASN A 76 -30.868 -16.388 -3.380 1.00 0.00 C ATOM 1150 O ASN A 76 -30.849 -15.577 -4.305 1.00 0.00 O ATOM 1151 CB ASN A 76 -29.952 -15.730 -1.147 1.00 0.00 C ATOM 1152 CG ASN A 76 -30.778 -16.516 -0.148 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -30.755 -17.747 -0.138 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -31.515 -15.806 0.700 1.00 0.00 N ATOM 0 H ASN A 76 -28.580 -15.254 -3.688 1.00 0.00 H new ATOM 0 HA ASN A 76 -29.552 -17.572 -2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -29.004 -15.449 -0.689 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -30.472 -14.805 -1.396 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -32.092 -16.280 1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -31.504 -14.787 0.656 1.00 0.00 H new ATOM 1161 N SER A 77 -31.899 -17.193 -3.144 1.00 0.00 N ATOM 1162 CA SER A 77 -33.094 -17.170 -3.980 1.00 0.00 C ATOM 1163 C SER A 77 -33.997 -15.999 -3.605 1.00 0.00 C ATOM 1164 O SER A 77 -34.258 -15.116 -4.422 1.00 0.00 O ATOM 1165 CB SER A 77 -33.862 -18.486 -3.844 1.00 0.00 C ATOM 1166 OG SER A 77 -35.080 -18.442 -4.568 1.00 0.00 O ATOM 0 H SER A 77 -31.931 -17.869 -2.381 1.00 0.00 H new ATOM 0 HA SER A 77 -32.780 -17.046 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 77 -33.248 -19.309 -4.209 1.00 0.00 H new ATOM 0 HB3 SER A 77 -34.067 -18.684 -2.792 1.00 0.00 H new ATOM 0 HG SER A 77 -35.552 -19.295 -4.467 1.00 0.00 H new ATOM 1172 N SER A 78 -34.471 -15.999 -2.364 1.00 0.00 N ATOM 1173 CA SER A 78 -35.348 -14.939 -1.880 1.00 0.00 C ATOM 1174 C SER A 78 -34.801 -13.566 -2.259 1.00 0.00 C ATOM 1175 O SER A 78 -35.505 -12.749 -2.851 1.00 0.00 O ATOM 1176 CB SER A 78 -35.510 -15.035 -0.362 1.00 0.00 C ATOM 1177 OG SER A 78 -36.408 -14.050 0.119 1.00 0.00 O ATOM 0 H SER A 78 -34.263 -16.721 -1.675 1.00 0.00 H new ATOM 0 HA SER A 78 -36.323 -15.065 -2.351 1.00 0.00 H new ATOM 0 HB2 SER A 78 -35.875 -16.026 -0.094 1.00 0.00 H new ATOM 0 HB3 SER A 78 -34.539 -14.912 0.119 1.00 0.00 H new ATOM 0 HG SER A 78 -36.495 -14.134 1.092 1.00 0.00 H new ATOM 1183 N GLN A 79 -33.542 -13.322 -1.912 1.00 0.00 N ATOM 1184 CA GLN A 79 -32.900 -12.048 -2.214 1.00 0.00 C ATOM 1185 C GLN A 79 -33.277 -11.567 -3.612 1.00 0.00 C ATOM 1186 O GLN A 79 -33.689 -10.421 -3.796 1.00 0.00 O ATOM 1187 CB GLN A 79 -31.381 -12.178 -2.099 1.00 0.00 C ATOM 1188 CG GLN A 79 -30.877 -12.178 -0.665 1.00 0.00 C ATOM 1189 CD GLN A 79 -30.791 -10.783 -0.076 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -30.346 -9.845 -0.738 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -31.216 -10.640 1.173 1.00 0.00 N ATOM 0 H GLN A 79 -32.946 -13.989 -1.422 1.00 0.00 H new ATOM 0 HA GLN A 79 -33.250 -11.313 -1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -31.066 -13.101 -2.586 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -30.912 -11.356 -2.640 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -31.540 -12.787 -0.051 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -29.892 -12.644 -0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -31.577 -11.445 1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -31.181 -9.725 1.622 1.00 0.00 H new ATOM 1200 N LEU A 80 -33.132 -12.449 -4.594 1.00 0.00 N ATOM 1201 CA LEU A 80 -33.457 -12.115 -5.977 1.00 0.00 C ATOM 1202 C LEU A 80 -34.930 -11.746 -6.116 1.00 0.00 C ATOM 1203 O LEU A 80 -35.279 -10.783 -6.800 1.00 0.00 O ATOM 1204 CB LEU A 80 -33.125 -13.290 -6.898 1.00 0.00 C ATOM 1205 CG LEU A 80 -33.213 -13.013 -8.399 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -32.187 -11.968 -8.810 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -33.017 -14.297 -9.191 1.00 0.00 C ATOM 0 H LEU A 80 -32.792 -13.401 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 80 -32.856 -11.253 -6.267 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -32.115 -13.630 -6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -33.799 -14.113 -6.661 1.00 0.00 H new ATOM 0 HG LEU A 80 -34.207 -12.623 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -32.264 -11.784 -9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -32.375 -11.041 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -31.186 -12.329 -8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -33.083 -14.080 -10.257 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -32.037 -14.717 -8.966 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -33.791 -15.015 -8.918 1.00 0.00 H new ATOM 1219 N THR A 81 -35.793 -12.517 -5.461 1.00 0.00 N ATOM 1220 CA THR A 81 -37.229 -12.271 -5.511 1.00 0.00 C ATOM 1221 C THR A 81 -37.549 -10.817 -5.185 1.00 0.00 C ATOM 1222 O THR A 81 -38.230 -10.134 -5.950 1.00 0.00 O ATOM 1223 CB THR A 81 -37.989 -13.184 -4.531 1.00 0.00 C ATOM 1224 OG1 THR A 81 -37.745 -14.558 -4.852 1.00 0.00 O ATOM 1225 CG2 THR A 81 -39.484 -12.904 -4.580 1.00 0.00 C ATOM 0 H THR A 81 -35.522 -13.317 -4.890 1.00 0.00 H new ATOM 0 HA THR A 81 -37.553 -12.492 -6.528 1.00 0.00 H new ATOM 0 HB THR A 81 -37.629 -12.978 -3.523 1.00 0.00 H new ATOM 0 HG1 THR A 81 -38.230 -15.132 -4.223 1.00 0.00 H new ATOM 0 HG21 THR A 81 -40.000 -13.561 -3.880 1.00 0.00 H new ATOM 0 HG22 THR A 81 -39.669 -11.865 -4.307 1.00 0.00 H new ATOM 0 HG23 THR A 81 -39.855 -13.086 -5.589 1.00 0.00 H new ATOM 1233 N VAL A 82 -37.052 -10.347 -4.045 1.00 0.00 N ATOM 1234 CA VAL A 82 -37.284 -8.972 -3.618 1.00 0.00 C ATOM 1235 C VAL A 82 -36.577 -7.985 -4.540 1.00 0.00 C ATOM 1236 O VAL A 82 -37.172 -7.005 -4.991 1.00 0.00 O ATOM 1237 CB VAL A 82 -36.802 -8.744 -2.173 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -37.004 -7.293 -1.766 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -37.526 -9.681 -1.217 1.00 0.00 C ATOM 0 H VAL A 82 -36.486 -10.899 -3.400 1.00 0.00 H new ATOM 0 HA VAL A 82 -38.360 -8.803 -3.665 1.00 0.00 H new ATOM 0 HB VAL A 82 -35.736 -8.965 -2.124 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -36.658 -7.151 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -36.437 -6.645 -2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -38.063 -7.041 -1.829 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -37.174 -9.507 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -38.599 -9.494 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -37.325 -10.715 -1.499 1.00 0.00 H new ATOM 1249 N HIS A 83 -35.304 -8.249 -4.816 1.00 0.00 N ATOM 1250 CA HIS A 83 -34.515 -7.383 -5.686 1.00 0.00 C ATOM 1251 C HIS A 83 -35.269 -7.078 -6.977 1.00 0.00 C ATOM 1252 O HIS A 83 -35.237 -5.952 -7.476 1.00 0.00 O ATOM 1253 CB HIS A 83 -33.171 -8.037 -6.008 1.00 0.00 C ATOM 1254 CG HIS A 83 -32.627 -7.658 -7.351 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -31.638 -6.714 -7.523 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -32.940 -8.104 -8.591 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -31.366 -6.593 -8.811 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -32.142 -7.426 -9.480 1.00 0.00 N ATOM 0 H HIS A 83 -34.797 -9.055 -4.450 1.00 0.00 H new ATOM 0 HA HIS A 83 -34.337 -6.445 -5.160 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -32.448 -7.759 -5.241 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -33.283 -9.120 -5.963 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -31.186 -6.190 -6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -33.679 -8.853 -8.835 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -30.634 -5.926 -9.243 1.00 0.00 H new ATOM 1266 N LEU A 84 -35.945 -8.088 -7.514 1.00 0.00 N ATOM 1267 CA LEU A 84 -36.706 -7.928 -8.748 1.00 0.00 C ATOM 1268 C LEU A 84 -37.738 -6.813 -8.611 1.00 0.00 C ATOM 1269 O LEU A 84 -37.876 -5.969 -9.496 1.00 0.00 O ATOM 1270 CB LEU A 84 -37.401 -9.240 -9.115 1.00 0.00 C ATOM 1271 CG LEU A 84 -36.549 -10.265 -9.864 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -37.260 -11.608 -9.925 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -36.223 -9.767 -11.264 1.00 0.00 C ATOM 0 H LEU A 84 -35.982 -9.026 -7.114 1.00 0.00 H new ATOM 0 HA LEU A 84 -36.010 -7.658 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -37.767 -9.702 -8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -38.273 -9.007 -9.725 1.00 0.00 H new ATOM 0 HG LEU A 84 -35.613 -10.397 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -36.638 -12.325 -10.462 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -37.440 -11.970 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -38.212 -11.493 -10.444 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -35.616 -10.509 -11.782 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -37.148 -9.605 -11.817 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -35.671 -8.830 -11.197 1.00 0.00 H new ATOM 1285 N ARG A 85 -38.459 -6.816 -7.494 1.00 0.00 N ATOM 1286 CA ARG A 85 -39.478 -5.804 -7.241 1.00 0.00 C ATOM 1287 C ARG A 85 -38.914 -4.401 -7.443 1.00 0.00 C ATOM 1288 O ARG A 85 -39.593 -3.517 -7.965 1.00 0.00 O ATOM 1289 CB ARG A 85 -40.025 -5.946 -5.819 1.00 0.00 C ATOM 1290 CG ARG A 85 -41.117 -6.994 -5.687 1.00 0.00 C ATOM 1291 CD ARG A 85 -41.689 -7.029 -4.279 1.00 0.00 C ATOM 1292 NE ARG A 85 -42.301 -5.757 -3.905 1.00 0.00 N ATOM 1293 CZ ARG A 85 -41.624 -4.744 -3.376 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -40.321 -4.853 -3.161 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -42.252 -3.617 -3.062 1.00 0.00 N ATOM 0 H ARG A 85 -38.356 -7.507 -6.751 1.00 0.00 H new ATOM 0 HA ARG A 85 -40.290 -5.956 -7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -39.205 -6.202 -5.148 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -40.416 -4.983 -5.492 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -41.914 -6.782 -6.399 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -40.714 -7.974 -5.942 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -42.432 -7.823 -4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -40.896 -7.272 -3.572 1.00 0.00 H new ATOM 0 HE ARG A 85 -43.303 -5.640 -4.058 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -39.835 -5.717 -3.402 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -39.804 -4.073 -2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -43.255 -3.529 -3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -41.732 -2.839 -2.656 1.00 0.00 H new ATOM 1309 N SER A 86 -37.667 -4.205 -7.026 1.00 0.00 N ATOM 1310 CA SER A 86 -37.012 -2.908 -7.157 1.00 0.00 C ATOM 1311 C SER A 86 -37.209 -2.340 -8.559 1.00 0.00 C ATOM 1312 O SER A 86 -37.328 -1.128 -8.739 1.00 0.00 O ATOM 1313 CB SER A 86 -35.519 -3.034 -6.850 1.00 0.00 C ATOM 1314 OG SER A 86 -34.861 -1.788 -6.999 1.00 0.00 O ATOM 0 H SER A 86 -37.090 -4.927 -6.595 1.00 0.00 H new ATOM 0 HA SER A 86 -37.466 -2.224 -6.440 1.00 0.00 H new ATOM 0 HB2 SER A 86 -35.383 -3.401 -5.833 1.00 0.00 H new ATOM 0 HB3 SER A 86 -35.068 -3.769 -7.517 1.00 0.00 H new ATOM 0 HG SER A 86 -33.908 -1.895 -6.796 1.00 0.00 H new ATOM 1320 N HIS A 87 -37.241 -3.225 -9.550 1.00 0.00 N ATOM 1321 CA HIS A 87 -37.423 -2.813 -10.938 1.00 0.00 C ATOM 1322 C HIS A 87 -38.848 -2.324 -11.176 1.00 0.00 C ATOM 1323 O HIS A 87 -39.723 -3.096 -11.571 1.00 0.00 O ATOM 1324 CB HIS A 87 -37.104 -3.972 -11.882 1.00 0.00 C ATOM 1325 CG HIS A 87 -35.729 -4.536 -11.696 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -34.588 -3.762 -11.726 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -35.315 -5.805 -11.474 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -33.532 -4.532 -11.533 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -33.946 -5.776 -11.377 1.00 0.00 N ATOM 0 H HIS A 87 -37.143 -4.232 -9.418 1.00 0.00 H new ATOM 0 HA HIS A 87 -36.737 -1.991 -11.141 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -37.836 -4.765 -11.731 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -37.212 -3.631 -12.912 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -34.563 -2.753 -11.874 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -35.945 -6.678 -11.389 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -32.505 -4.200 -11.507 1.00 0.00 H new ATOM 1337 N THR A 88 -39.076 -1.037 -10.933 1.00 0.00 N ATOM 1338 CA THR A 88 -40.395 -0.446 -11.120 1.00 0.00 C ATOM 1339 C THR A 88 -40.329 0.764 -12.045 1.00 0.00 C ATOM 1340 O THR A 88 -41.053 0.839 -13.037 1.00 0.00 O ATOM 1341 CB THR A 88 -41.014 -0.017 -9.776 1.00 0.00 C ATOM 1342 OG1 THR A 88 -40.041 0.680 -8.989 1.00 0.00 O ATOM 1343 CG2 THR A 88 -41.524 -1.225 -9.005 1.00 0.00 C ATOM 0 H THR A 88 -38.364 -0.384 -10.606 1.00 0.00 H new ATOM 0 HA THR A 88 -41.024 -1.213 -11.573 1.00 0.00 H new ATOM 0 HB THR A 88 -41.855 0.644 -9.983 1.00 0.00 H new ATOM 0 HG1 THR A 88 -40.442 0.951 -8.137 1.00 0.00 H new ATOM 0 HG21 THR A 88 -41.957 -0.897 -8.060 1.00 0.00 H new ATOM 0 HG22 THR A 88 -42.285 -1.738 -9.594 1.00 0.00 H new ATOM 0 HG23 THR A 88 -40.697 -1.907 -8.808 1.00 0.00 H new ATOM 1351 N GLY A 89 -39.456 1.710 -11.713 1.00 0.00 N ATOM 1352 CA GLY A 89 -39.312 2.904 -12.526 1.00 0.00 C ATOM 1353 C GLY A 89 -38.820 4.094 -11.725 1.00 0.00 C ATOM 1354 O GLY A 89 -39.432 5.162 -11.749 1.00 0.00 O ATOM 0 H GLY A 89 -38.846 1.671 -10.896 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -38.615 2.704 -13.340 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -40.272 3.148 -12.981 1.00 0.00 H new ATOM 1358 N ASP A 90 -37.714 3.910 -11.014 1.00 0.00 N ATOM 1359 CA ASP A 90 -37.141 4.977 -10.201 1.00 0.00 C ATOM 1360 C ASP A 90 -36.398 5.985 -11.074 1.00 0.00 C ATOM 1361 O ASP A 90 -36.682 7.182 -11.035 1.00 0.00 O ATOM 1362 CB ASP A 90 -36.192 4.395 -9.153 1.00 0.00 C ATOM 1363 CG ASP A 90 -35.562 5.466 -8.284 1.00 0.00 C ATOM 1364 OD1 ASP A 90 -36.314 6.261 -7.684 1.00 0.00 O ATOM 1365 OD2 ASP A 90 -34.316 5.510 -8.205 1.00 0.00 O ATOM 0 H ASP A 90 -37.196 3.032 -10.984 1.00 0.00 H new ATOM 0 HA ASP A 90 -37.957 5.493 -9.694 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -36.738 3.694 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -35.407 3.828 -9.653 1.00 0.00 H new ATOM 1370 N SER A 91 -35.446 5.492 -11.859 1.00 0.00 N ATOM 1371 CA SER A 91 -34.659 6.350 -12.737 1.00 0.00 C ATOM 1372 C SER A 91 -35.394 6.603 -14.050 1.00 0.00 C ATOM 1373 O SER A 91 -35.501 7.741 -14.505 1.00 0.00 O ATOM 1374 CB SER A 91 -33.295 5.715 -13.017 1.00 0.00 C ATOM 1375 OG SER A 91 -32.465 6.595 -13.754 1.00 0.00 O ATOM 0 H SER A 91 -35.201 4.503 -11.905 1.00 0.00 H new ATOM 0 HA SER A 91 -34.511 7.305 -12.234 1.00 0.00 H new ATOM 0 HB2 SER A 91 -32.811 5.456 -12.075 1.00 0.00 H new ATOM 0 HB3 SER A 91 -33.430 4.787 -13.572 1.00 0.00 H new ATOM 0 HG SER A 91 -31.599 6.167 -13.919 1.00 0.00 H new ATOM 1381 N GLY A 92 -35.899 5.532 -14.654 1.00 0.00 N ATOM 1382 CA GLY A 92 -36.617 5.658 -15.909 1.00 0.00 C ATOM 1383 C GLY A 92 -35.744 6.193 -17.026 1.00 0.00 C ATOM 1384 O GLY A 92 -34.765 6.903 -16.792 1.00 0.00 O ATOM 0 H GLY A 92 -35.824 4.580 -14.297 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -37.013 4.684 -16.197 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -37.471 6.321 -15.770 1.00 0.00 H new ATOM 1388 N PRO A 93 -36.095 5.850 -18.274 1.00 0.00 N ATOM 1389 CA PRO A 93 -35.348 6.289 -19.456 1.00 0.00 C ATOM 1390 C PRO A 93 -35.504 7.783 -19.719 1.00 0.00 C ATOM 1391 O PRO A 93 -34.881 8.332 -20.627 1.00 0.00 O ATOM 1392 CB PRO A 93 -35.974 5.478 -20.593 1.00 0.00 C ATOM 1393 CG PRO A 93 -37.350 5.161 -20.119 1.00 0.00 C ATOM 1394 CD PRO A 93 -37.249 5.006 -18.627 1.00 0.00 C ATOM 0 HA PRO A 93 -34.276 6.131 -19.342 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -35.997 6.049 -21.521 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -35.405 4.570 -20.792 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -38.046 5.957 -20.382 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -37.721 4.247 -20.582 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -38.158 5.338 -18.126 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -37.089 3.966 -18.341 1.00 0.00 H new ATOM 1402 N SER A 94 -36.340 8.436 -18.917 1.00 0.00 N ATOM 1403 CA SER A 94 -36.581 9.866 -19.065 1.00 0.00 C ATOM 1404 C SER A 94 -35.338 10.668 -18.692 1.00 0.00 C ATOM 1405 O SER A 94 -34.374 10.125 -18.152 1.00 0.00 O ATOM 1406 CB SER A 94 -37.761 10.299 -18.194 1.00 0.00 C ATOM 1407 OG SER A 94 -38.957 9.656 -18.599 1.00 0.00 O ATOM 0 H SER A 94 -36.861 7.997 -18.158 1.00 0.00 H new ATOM 0 HA SER A 94 -36.819 10.063 -20.110 1.00 0.00 H new ATOM 0 HB2 SER A 94 -37.553 10.063 -17.151 1.00 0.00 H new ATOM 0 HB3 SER A 94 -37.886 11.380 -18.257 1.00 0.00 H new ATOM 0 HG SER A 94 -39.696 9.948 -18.026 1.00 0.00 H new ATOM 1413 N SER A 95 -35.367 11.964 -18.985 1.00 0.00 N ATOM 1414 CA SER A 95 -34.242 12.841 -18.685 1.00 0.00 C ATOM 1415 C SER A 95 -34.715 14.114 -17.989 1.00 0.00 C ATOM 1416 O SER A 95 -35.822 14.593 -18.233 1.00 0.00 O ATOM 1417 CB SER A 95 -33.489 13.198 -19.968 1.00 0.00 C ATOM 1418 OG SER A 95 -32.493 14.175 -19.721 1.00 0.00 O ATOM 0 H SER A 95 -36.158 12.430 -19.430 1.00 0.00 H new ATOM 0 HA SER A 95 -33.569 12.309 -18.013 1.00 0.00 H new ATOM 0 HB2 SER A 95 -33.028 12.302 -20.384 1.00 0.00 H new ATOM 0 HB3 SER A 95 -34.191 13.571 -20.714 1.00 0.00 H new ATOM 0 HG SER A 95 -32.026 14.384 -20.557 1.00 0.00 H new ATOM 1424 N GLY A 96 -33.868 14.656 -17.120 1.00 0.00 N ATOM 1425 CA GLY A 96 -34.217 15.868 -16.401 1.00 0.00 C ATOM 1426 C GLY A 96 -33.016 16.759 -16.151 1.00 0.00 C ATOM 1427 O GLY A 96 -31.969 16.254 -15.749 1.00 0.00 O ATOM 0 H GLY A 96 -32.946 14.278 -16.901 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -34.964 16.422 -16.969 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -34.674 15.603 -15.448 1.00 0.00 H new TER 1431 GLY A 96 HETATM 1432 ZN ZN A 191 18.958 -11.596 -5.314 1.00 0.00 ZN HETATM 1433 ZN ZN A 241 -9.980 -24.695 -6.334 1.00 0.00 ZN HETATM 1434 ZN ZN A 291 -32.331 -6.868 -11.494 1.00 0.00 ZN