USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0125) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.26 (180deg=1.14) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 57:sc= 0.00575 USER MOD Single : A 22 ASN : amide:sc= -0.0412 X(o=-0.041,f=-0.041) USER MOD Single : A 24 THR OG1 : rot -57:sc= 0.0329 USER MOD Single : A 30 THR OG1 : rot 78:sc= 1.19 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 80:sc= 0.435 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -130:sc= 0.00301 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00176 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.668 7.826 11.735 1.00 0.00 N ATOM 2 CA MET A 1 -5.141 6.486 12.172 1.00 0.00 C ATOM 3 C MET A 1 -5.916 5.754 11.070 1.00 0.00 C ATOM 4 O MET A 1 -5.691 4.551 10.841 1.00 0.00 O ATOM 5 CB MET A 1 -5.910 6.544 13.508 1.00 0.00 C ATOM 6 CG MET A 1 -7.353 7.071 13.444 1.00 0.00 C ATOM 7 SD MET A 1 -8.079 7.480 15.060 1.00 0.00 S ATOM 8 CE MET A 1 -8.054 5.862 15.888 1.00 0.00 C ATOM 0 H1 MET A 1 -4.348 8.368 12.563 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.878 7.715 11.068 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.446 8.334 11.268 1.00 0.00 H new ATOM 0 HA MET A 1 -4.251 5.887 12.362 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.931 5.541 13.934 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.347 7.172 14.199 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.374 7.961 12.815 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.979 6.322 12.958 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.519 5.949 16.870 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.605 5.138 15.288 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.023 5.528 16.003 1.00 0.00 H new ATOM 17 N LYS A 2 -6.840 6.417 10.351 1.00 0.00 N ATOM 18 CA LYS A 2 -7.532 5.841 9.182 1.00 0.00 C ATOM 19 C LYS A 2 -6.732 6.044 7.889 1.00 0.00 C ATOM 20 O LYS A 2 -6.038 7.052 7.727 1.00 0.00 O ATOM 21 CB LYS A 2 -8.957 6.405 9.043 1.00 0.00 C ATOM 22 CG LYS A 2 -9.863 5.990 10.211 1.00 0.00 C ATOM 23 CD LYS A 2 -11.304 6.468 9.987 1.00 0.00 C ATOM 24 CE LYS A 2 -12.179 6.087 11.188 1.00 0.00 C ATOM 25 NZ LYS A 2 -13.585 6.536 11.003 1.00 0.00 N ATOM 0 H LYS A 2 -7.129 7.371 10.565 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.610 4.767 9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.912 7.493 8.990 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.393 6.058 8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.849 4.905 10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.478 6.408 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.319 7.549 9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.706 6.021 9.078 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.157 5.006 11.327 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.770 6.534 12.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.149 6.262 11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.608 7.570 10.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.983 6.090 10.152 1.00 0.00 H new ATOM 39 N ILE A 3 -6.880 5.108 6.957 1.00 0.00 N ATOM 40 CA ILE A 3 -6.316 5.121 5.600 1.00 0.00 C ATOM 41 C ILE A 3 -7.390 4.802 4.552 1.00 0.00 C ATOM 42 O ILE A 3 -8.462 4.286 4.882 1.00 0.00 O ATOM 43 CB ILE A 3 -5.125 4.137 5.474 1.00 0.00 C ATOM 44 CG1 ILE A 3 -5.523 2.673 5.780 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.943 4.593 6.343 1.00 0.00 C ATOM 46 CD1 ILE A 3 -4.634 1.641 5.077 1.00 0.00 C ATOM 0 H ILE A 3 -7.429 4.267 7.134 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.943 6.128 5.412 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.809 4.155 4.431 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.476 2.509 6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.558 2.515 5.478 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.120 3.886 6.237 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.616 5.582 6.022 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.254 4.635 7.387 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.969 0.636 5.335 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.700 1.779 3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.600 1.773 5.397 1.00 0.00 H new ATOM 58 N LYS A 4 -7.087 5.059 3.274 1.00 0.00 N ATOM 59 CA LYS A 4 -7.902 4.638 2.120 1.00 0.00 C ATOM 60 C LYS A 4 -7.015 3.965 1.067 1.00 0.00 C ATOM 61 O LYS A 4 -6.163 4.622 0.470 1.00 0.00 O ATOM 62 CB LYS A 4 -8.689 5.847 1.568 1.00 0.00 C ATOM 63 CG LYS A 4 -10.177 5.534 1.373 1.00 0.00 C ATOM 64 CD LYS A 4 -10.902 6.767 0.818 1.00 0.00 C ATOM 65 CE LYS A 4 -12.419 6.546 0.790 1.00 0.00 C ATOM 66 NZ LYS A 4 -13.135 7.727 0.235 1.00 0.00 N ATOM 0 H LYS A 4 -6.251 5.577 3.004 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.637 3.895 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.584 6.689 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.257 6.154 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.294 4.694 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.622 5.236 2.322 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.669 7.637 1.432 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.543 6.982 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.648 5.666 0.189 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.777 6.345 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.158 7.542 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.936 8.561 0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.811 7.904 -0.737 1.00 0.00 H new ATOM 80 N ILE A 5 -7.184 2.660 0.848 1.00 0.00 N ATOM 81 CA ILE A 5 -6.462 1.929 -0.205 1.00 0.00 C ATOM 82 C ILE A 5 -7.305 1.850 -1.484 1.00 0.00 C ATOM 83 O ILE A 5 -8.520 1.660 -1.425 1.00 0.00 O ATOM 84 CB ILE A 5 -5.935 0.566 0.300 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.977 -0.053 -0.743 1.00 0.00 C ATOM 86 CG2 ILE A 5 -7.068 -0.410 0.664 1.00 0.00 C ATOM 87 CD1 ILE A 5 -4.056 -1.133 -0.163 1.00 0.00 C ATOM 0 H ILE A 5 -7.822 2.078 1.391 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.565 2.488 -0.472 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.384 0.751 1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.565 -0.485 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.367 0.738 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.640 -1.350 1.012 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.682 0.024 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.685 -0.596 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.412 -1.523 -0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.442 -0.701 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.659 -1.943 0.247 1.00 0.00 H new ATOM 99 N VAL A 6 -6.662 2.015 -2.641 1.00 0.00 N ATOM 100 CA VAL A 6 -7.300 2.081 -3.965 1.00 0.00 C ATOM 101 C VAL A 6 -6.642 1.061 -4.907 1.00 0.00 C ATOM 102 O VAL A 6 -5.719 1.410 -5.652 1.00 0.00 O ATOM 103 CB VAL A 6 -7.268 3.518 -4.542 1.00 0.00 C ATOM 104 CG1 VAL A 6 -8.249 3.631 -5.717 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.623 4.587 -3.499 1.00 0.00 C ATOM 0 H VAL A 6 -5.648 2.110 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.353 1.820 -3.863 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.245 3.699 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.221 4.644 -6.118 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.966 2.924 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.258 3.405 -5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.584 5.573 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.628 4.404 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.910 4.543 -2.676 1.00 0.00 H new ATOM 115 N PRO A 7 -7.030 -0.227 -4.843 1.00 0.00 N ATOM 116 CA PRO A 7 -6.461 -1.259 -5.700 1.00 0.00 C ATOM 117 C PRO A 7 -7.065 -1.249 -7.110 1.00 0.00 C ATOM 118 O PRO A 7 -8.284 -1.202 -7.274 1.00 0.00 O ATOM 119 CB PRO A 7 -6.717 -2.575 -4.959 1.00 0.00 C ATOM 120 CG PRO A 7 -8.032 -2.309 -4.225 1.00 0.00 C ATOM 121 CD PRO A 7 -7.952 -0.821 -3.880 1.00 0.00 C ATOM 0 HA PRO A 7 -5.397 -1.098 -5.871 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.803 -3.415 -5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.909 -2.811 -4.266 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.895 -2.530 -4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -8.124 -2.924 -3.330 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.935 -0.354 -3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.595 -0.677 -2.860 1.00 0.00 H new ATOM 129 N ALA A 8 -6.221 -1.383 -8.138 1.00 0.00 N ATOM 130 CA ALA A 8 -6.619 -1.578 -9.539 1.00 0.00 C ATOM 131 C ALA A 8 -7.134 -3.015 -9.835 1.00 0.00 C ATOM 132 O ALA A 8 -6.780 -3.622 -10.848 1.00 0.00 O ATOM 133 CB ALA A 8 -5.436 -1.157 -10.426 1.00 0.00 C ATOM 0 H ALA A 8 -5.209 -1.358 -8.016 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.480 -0.949 -9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.702 -1.291 -11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.199 -0.109 -10.243 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.568 -1.772 -10.190 1.00 0.00 H new ATOM 139 N VAL A 9 -7.929 -3.586 -8.921 1.00 0.00 N ATOM 140 CA VAL A 9 -8.349 -5.002 -8.888 1.00 0.00 C ATOM 141 C VAL A 9 -9.848 -5.107 -8.575 1.00 0.00 C ATOM 142 O VAL A 9 -10.370 -4.341 -7.759 1.00 0.00 O ATOM 143 CB VAL A 9 -7.513 -5.796 -7.854 1.00 0.00 C ATOM 144 CG1 VAL A 9 -7.901 -7.279 -7.787 1.00 0.00 C ATOM 145 CG2 VAL A 9 -6.007 -5.738 -8.152 1.00 0.00 C ATOM 0 H VAL A 9 -8.318 -3.051 -8.145 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.172 -5.439 -9.871 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.731 -5.312 -6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.282 -7.784 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.950 -7.368 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.747 -7.740 -8.763 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.465 -6.310 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.815 -6.162 -9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.672 -4.701 -8.131 1.00 0.00 H new ATOM 155 N GLY A 10 -10.547 -6.061 -9.200 1.00 0.00 N ATOM 156 CA GLY A 10 -11.962 -6.350 -8.932 1.00 0.00 C ATOM 157 C GLY A 10 -12.873 -5.156 -9.236 1.00 0.00 C ATOM 158 O GLY A 10 -12.959 -4.706 -10.382 1.00 0.00 O ATOM 0 H GLY A 10 -10.141 -6.663 -9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.275 -7.204 -9.533 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.079 -6.636 -7.887 1.00 0.00 H new ATOM 162 N GLY A 11 -13.537 -4.624 -8.205 1.00 0.00 N ATOM 163 CA GLY A 11 -14.384 -3.426 -8.297 1.00 0.00 C ATOM 164 C GLY A 11 -13.628 -2.111 -8.553 1.00 0.00 C ATOM 165 O GLY A 11 -14.254 -1.113 -8.915 1.00 0.00 O ATOM 0 H GLY A 11 -13.502 -5.019 -7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.108 -3.573 -9.098 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.949 -3.328 -7.370 1.00 0.00 H new ATOM 169 N GLY A 12 -12.299 -2.082 -8.373 1.00 0.00 N ATOM 170 CA GLY A 12 -11.429 -0.933 -8.683 1.00 0.00 C ATOM 171 C GLY A 12 -11.621 0.315 -7.800 1.00 0.00 C ATOM 172 O GLY A 12 -11.067 1.375 -8.103 1.00 0.00 O ATOM 0 H GLY A 12 -11.784 -2.878 -7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.391 -1.256 -8.601 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.593 -0.648 -9.722 1.00 0.00 H new ATOM 176 N SER A 13 -12.434 0.216 -6.745 1.00 0.00 N ATOM 177 CA SER A 13 -12.899 1.337 -5.910 1.00 0.00 C ATOM 178 C SER A 13 -12.029 1.562 -4.658 1.00 0.00 C ATOM 179 O SER A 13 -11.404 0.613 -4.171 1.00 0.00 O ATOM 180 CB SER A 13 -14.354 1.090 -5.488 1.00 0.00 C ATOM 181 OG SER A 13 -15.213 1.110 -6.620 1.00 0.00 O ATOM 0 H SER A 13 -12.804 -0.682 -6.433 1.00 0.00 H new ATOM 0 HA SER A 13 -12.820 2.240 -6.516 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.433 0.128 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.666 1.853 -4.774 1.00 0.00 H new ATOM 0 HG SER A 13 -14.915 0.438 -7.269 1.00 0.00 H new ATOM 187 N PRO A 14 -12.001 2.787 -4.089 1.00 0.00 N ATOM 188 CA PRO A 14 -11.371 3.056 -2.795 1.00 0.00 C ATOM 189 C PRO A 14 -12.054 2.292 -1.646 1.00 0.00 C ATOM 190 O PRO A 14 -13.274 2.095 -1.650 1.00 0.00 O ATOM 191 CB PRO A 14 -11.478 4.574 -2.599 1.00 0.00 C ATOM 192 CG PRO A 14 -12.727 4.946 -3.391 1.00 0.00 C ATOM 193 CD PRO A 14 -12.647 3.997 -4.585 1.00 0.00 C ATOM 0 HA PRO A 14 -10.335 2.716 -2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.577 4.837 -1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.595 5.091 -2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.637 4.794 -2.811 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.717 5.991 -3.700 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.640 3.777 -4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.074 4.441 -5.399 1.00 0.00 H new ATOM 201 N LEU A 15 -11.270 1.899 -0.638 1.00 0.00 N ATOM 202 CA LEU A 15 -11.718 1.168 0.552 1.00 0.00 C ATOM 203 C LEU A 15 -11.026 1.718 1.811 1.00 0.00 C ATOM 204 O LEU A 15 -9.797 1.762 1.889 1.00 0.00 O ATOM 205 CB LEU A 15 -11.476 -0.337 0.310 1.00 0.00 C ATOM 206 CG LEU A 15 -12.079 -1.267 1.383 1.00 0.00 C ATOM 207 CD1 LEU A 15 -12.494 -2.598 0.753 1.00 0.00 C ATOM 208 CD2 LEU A 15 -11.091 -1.591 2.506 1.00 0.00 C ATOM 0 H LEU A 15 -10.268 2.088 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.785 1.307 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.892 -0.607 -0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.402 -0.515 0.257 1.00 0.00 H new ATOM 0 HG LEU A 15 -12.933 -0.733 1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.918 -3.247 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.239 -2.417 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.621 -3.080 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.569 -2.248 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.215 -2.087 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.784 -0.668 2.998 1.00 0.00 H new ATOM 220 N GLU A 16 -11.816 2.166 2.790 1.00 0.00 N ATOM 221 CA GLU A 16 -11.318 2.717 4.062 1.00 0.00 C ATOM 222 C GLU A 16 -10.963 1.624 5.087 1.00 0.00 C ATOM 223 O GLU A 16 -11.648 0.600 5.186 1.00 0.00 O ATOM 224 CB GLU A 16 -12.310 3.745 4.636 1.00 0.00 C ATOM 225 CG GLU A 16 -13.663 3.157 5.072 1.00 0.00 C ATOM 226 CD GLU A 16 -14.656 4.261 5.487 1.00 0.00 C ATOM 227 OE1 GLU A 16 -14.360 5.033 6.431 1.00 0.00 O ATOM 228 OE2 GLU A 16 -15.753 4.352 4.882 1.00 0.00 O ATOM 0 H GLU A 16 -12.834 2.158 2.725 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.383 3.234 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.849 4.235 5.493 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.489 4.516 3.886 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.087 2.574 4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.511 2.472 5.906 1.00 0.00 H new ATOM 235 N LEU A 17 -9.900 1.846 5.869 1.00 0.00 N ATOM 236 CA LEU A 17 -9.386 0.896 6.866 1.00 0.00 C ATOM 237 C LEU A 17 -8.668 1.618 8.022 1.00 0.00 C ATOM 238 O LEU A 17 -8.122 2.706 7.840 1.00 0.00 O ATOM 239 CB LEU A 17 -8.436 -0.099 6.157 1.00 0.00 C ATOM 240 CG LEU A 17 -8.398 -1.496 6.804 1.00 0.00 C ATOM 241 CD1 LEU A 17 -9.621 -2.327 6.403 1.00 0.00 C ATOM 242 CD2 LEU A 17 -7.146 -2.250 6.355 1.00 0.00 C ATOM 0 H LEU A 17 -9.360 2.710 5.826 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.223 0.355 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.743 -0.200 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.428 0.316 6.153 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.393 -1.354 7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.565 -3.308 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.529 -1.819 6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.640 -2.447 5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.129 -3.236 6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.156 -2.359 5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.259 -1.693 6.655 1.00 0.00 H new ATOM 254 N GLU A 18 -8.624 1.009 9.207 1.00 0.00 N ATOM 255 CA GLU A 18 -7.701 1.397 10.288 1.00 0.00 C ATOM 256 C GLU A 18 -6.328 0.717 10.124 1.00 0.00 C ATOM 257 O GLU A 18 -6.240 -0.405 9.616 1.00 0.00 O ATOM 258 CB GLU A 18 -8.300 1.037 11.658 1.00 0.00 C ATOM 259 CG GLU A 18 -9.545 1.869 11.998 1.00 0.00 C ATOM 260 CD GLU A 18 -10.068 1.550 13.412 1.00 0.00 C ATOM 261 OE1 GLU A 18 -10.431 0.378 13.687 1.00 0.00 O ATOM 262 OE2 GLU A 18 -10.136 2.473 14.260 1.00 0.00 O ATOM 0 H GLU A 18 -9.230 0.226 9.451 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.557 2.476 10.230 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.561 -0.021 11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.546 1.187 12.430 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.305 2.930 11.928 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.328 1.670 11.266 1.00 0.00 H new ATOM 269 N VAL A 19 -5.252 1.364 10.592 1.00 0.00 N ATOM 270 CA VAL A 19 -3.891 0.792 10.624 1.00 0.00 C ATOM 271 C VAL A 19 -3.082 1.321 11.818 1.00 0.00 C ATOM 272 O VAL A 19 -3.295 2.444 12.282 1.00 0.00 O ATOM 273 CB VAL A 19 -3.178 1.011 9.268 1.00 0.00 C ATOM 274 CG1 VAL A 19 -2.742 2.463 9.046 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.950 0.109 9.102 1.00 0.00 C ATOM 0 H VAL A 19 -5.299 2.312 10.965 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.972 -0.285 10.773 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.928 0.750 8.521 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.248 2.551 8.078 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.617 3.113 9.068 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.050 2.760 9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.486 0.301 8.135 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.234 0.319 9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.256 -0.936 9.156 1.00 0.00 H new ATOM 285 N ALA A 20 -2.156 0.507 12.337 1.00 0.00 N ATOM 286 CA ALA A 20 -1.252 0.884 13.427 1.00 0.00 C ATOM 287 C ALA A 20 -0.241 1.982 13.006 1.00 0.00 C ATOM 288 O ALA A 20 0.189 2.003 11.848 1.00 0.00 O ATOM 289 CB ALA A 20 -0.533 -0.387 13.907 1.00 0.00 C ATOM 0 H ALA A 20 -2.012 -0.447 12.006 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.833 1.319 14.240 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.148 -0.135 14.720 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.269 -1.110 14.261 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.032 -0.819 13.081 1.00 0.00 H new ATOM 295 N PRO A 21 0.218 2.855 13.928 1.00 0.00 N ATOM 296 CA PRO A 21 1.241 3.872 13.638 1.00 0.00 C ATOM 297 C PRO A 21 2.629 3.265 13.343 1.00 0.00 C ATOM 298 O PRO A 21 3.456 3.892 12.677 1.00 0.00 O ATOM 299 CB PRO A 21 1.270 4.766 14.883 1.00 0.00 C ATOM 300 CG PRO A 21 0.840 3.827 16.010 1.00 0.00 C ATOM 301 CD PRO A 21 -0.190 2.930 15.326 1.00 0.00 C ATOM 0 HA PRO A 21 0.994 4.427 12.733 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.265 5.175 15.060 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.590 5.612 14.785 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.680 3.253 16.402 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.408 4.373 16.849 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.211 1.940 15.781 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.194 3.345 15.419 1.00 0.00 H new ATOM 309 N ASN A 22 2.873 2.025 13.786 1.00 0.00 N ATOM 310 CA ASN A 22 4.086 1.242 13.529 1.00 0.00 C ATOM 311 C ASN A 22 4.121 0.593 12.120 1.00 0.00 C ATOM 312 O ASN A 22 4.889 -0.343 11.891 1.00 0.00 O ATOM 313 CB ASN A 22 4.226 0.208 14.667 1.00 0.00 C ATOM 314 CG ASN A 22 5.652 -0.300 14.832 1.00 0.00 C ATOM 315 OD1 ASN A 22 6.571 0.453 15.125 1.00 0.00 O ATOM 316 ND2 ASN A 22 5.889 -1.583 14.682 1.00 0.00 N ATOM 0 H ASN A 22 2.199 1.518 14.359 1.00 0.00 H new ATOM 0 HA ASN A 22 4.947 1.910 13.524 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.895 0.658 15.603 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.565 -0.636 14.468 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.834 -1.945 14.810 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.128 -2.217 14.438 1.00 0.00 H new ATOM 323 N ALA A 23 3.279 1.044 11.179 1.00 0.00 N ATOM 324 CA ALA A 23 3.181 0.495 9.825 1.00 0.00 C ATOM 325 C ALA A 23 4.544 0.499 9.099 1.00 0.00 C ATOM 326 O ALA A 23 5.173 1.548 8.927 1.00 0.00 O ATOM 327 CB ALA A 23 2.121 1.278 9.038 1.00 0.00 C ATOM 0 H ALA A 23 2.635 1.817 11.345 1.00 0.00 H new ATOM 0 HA ALA A 23 2.876 -0.549 9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.044 0.873 8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.157 1.190 9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.408 2.328 8.987 1.00 0.00 H new ATOM 333 N THR A 24 4.981 -0.691 8.676 1.00 0.00 N ATOM 334 CA THR A 24 6.280 -0.939 8.029 1.00 0.00 C ATOM 335 C THR A 24 6.073 -1.227 6.542 1.00 0.00 C ATOM 336 O THR A 24 5.269 -2.089 6.187 1.00 0.00 O ATOM 337 CB THR A 24 6.999 -2.120 8.715 1.00 0.00 C ATOM 338 OG1 THR A 24 7.168 -1.878 10.096 1.00 0.00 O ATOM 339 CG2 THR A 24 8.390 -2.394 8.135 1.00 0.00 C ATOM 0 H THR A 24 4.424 -1.539 8.776 1.00 0.00 H new ATOM 0 HA THR A 24 6.904 -0.051 8.129 1.00 0.00 H new ATOM 0 HB THR A 24 6.358 -2.984 8.538 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.661 -1.041 10.223 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.843 -3.235 8.659 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.302 -2.632 7.075 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.016 -1.510 8.258 1.00 0.00 H new ATOM 347 N VAL A 25 6.816 -0.553 5.657 1.00 0.00 N ATOM 348 CA VAL A 25 6.665 -0.695 4.189 1.00 0.00 C ATOM 349 C VAL A 25 6.891 -2.141 3.735 1.00 0.00 C ATOM 350 O VAL A 25 6.105 -2.674 2.950 1.00 0.00 O ATOM 351 CB VAL A 25 7.620 0.255 3.436 1.00 0.00 C ATOM 352 CG1 VAL A 25 7.439 0.163 1.916 1.00 0.00 C ATOM 353 CG2 VAL A 25 7.406 1.716 3.849 1.00 0.00 C ATOM 0 H VAL A 25 7.542 0.109 5.930 1.00 0.00 H new ATOM 0 HA VAL A 25 5.639 -0.420 3.946 1.00 0.00 H new ATOM 0 HB VAL A 25 8.627 -0.064 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.130 0.848 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.642 -0.856 1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.415 0.431 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.096 2.355 3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.381 2.011 3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.589 1.822 4.918 1.00 0.00 H new ATOM 363 N GLY A 26 7.918 -2.800 4.284 1.00 0.00 N ATOM 364 CA GLY A 26 8.232 -4.210 4.034 1.00 0.00 C ATOM 365 C GLY A 26 7.102 -5.169 4.427 1.00 0.00 C ATOM 366 O GLY A 26 6.825 -6.115 3.690 1.00 0.00 O ATOM 0 H GLY A 26 8.570 -2.355 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.457 -4.341 2.976 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.133 -4.477 4.587 1.00 0.00 H new ATOM 370 N ALA A 27 6.392 -4.896 5.526 1.00 0.00 N ATOM 371 CA ALA A 27 5.220 -5.672 5.932 1.00 0.00 C ATOM 372 C ALA A 27 4.037 -5.461 4.971 1.00 0.00 C ATOM 373 O ALA A 27 3.432 -6.438 4.528 1.00 0.00 O ATOM 374 CB ALA A 27 4.852 -5.310 7.376 1.00 0.00 C ATOM 0 H ALA A 27 6.616 -4.128 6.159 1.00 0.00 H new ATOM 0 HA ALA A 27 5.464 -6.733 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.979 -5.885 7.684 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.690 -5.541 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.625 -4.246 7.438 1.00 0.00 H new ATOM 380 N VAL A 28 3.746 -4.212 4.583 1.00 0.00 N ATOM 381 CA VAL A 28 2.638 -3.873 3.668 1.00 0.00 C ATOM 382 C VAL A 28 2.832 -4.511 2.286 1.00 0.00 C ATOM 383 O VAL A 28 1.938 -5.209 1.803 1.00 0.00 O ATOM 384 CB VAL A 28 2.445 -2.343 3.565 1.00 0.00 C ATOM 385 CG1 VAL A 28 1.385 -1.949 2.527 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.997 -1.754 4.911 1.00 0.00 C ATOM 0 H VAL A 28 4.276 -3.398 4.896 1.00 0.00 H new ATOM 0 HA VAL A 28 1.724 -4.292 4.090 1.00 0.00 H new ATOM 0 HB VAL A 28 3.415 -1.947 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.291 -0.863 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.684 -2.315 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.426 -2.389 2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.868 -0.676 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.051 -2.206 5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.753 -1.961 5.668 1.00 0.00 H new ATOM 396 N ARG A 29 4.010 -4.344 1.664 1.00 0.00 N ATOM 397 CA ARG A 29 4.315 -4.948 0.350 1.00 0.00 C ATOM 398 C ARG A 29 4.331 -6.480 0.399 1.00 0.00 C ATOM 399 O ARG A 29 3.832 -7.118 -0.526 1.00 0.00 O ATOM 400 CB ARG A 29 5.597 -4.331 -0.255 1.00 0.00 C ATOM 401 CG ARG A 29 6.906 -4.661 0.486 1.00 0.00 C ATOM 402 CD ARG A 29 7.637 -5.911 -0.033 1.00 0.00 C ATOM 403 NE ARG A 29 8.535 -5.593 -1.164 1.00 0.00 N ATOM 404 CZ ARG A 29 9.815 -5.263 -1.093 1.00 0.00 C ATOM 405 NH1 ARG A 29 10.449 -5.160 0.042 1.00 0.00 N ATOM 406 NH2 ARG A 29 10.497 -5.022 -2.176 1.00 0.00 N ATOM 0 H ARG A 29 4.775 -3.791 2.051 1.00 0.00 H new ATOM 0 HA ARG A 29 3.501 -4.701 -0.331 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.689 -4.669 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.479 -3.248 -0.283 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.577 -3.806 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.684 -4.799 1.544 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.216 -6.356 0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.905 -6.655 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 29 8.125 -5.632 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.958 -5.336 0.918 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.436 -4.903 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.045 -5.087 -3.088 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.483 -4.768 -2.112 1.00 0.00 H new ATOM 420 N THR A 30 4.825 -7.079 1.488 1.00 0.00 N ATOM 421 CA THR A 30 4.805 -8.546 1.670 1.00 0.00 C ATOM 422 C THR A 30 3.376 -9.071 1.828 1.00 0.00 C ATOM 423 O THR A 30 3.029 -10.071 1.201 1.00 0.00 O ATOM 424 CB THR A 30 5.676 -8.992 2.859 1.00 0.00 C ATOM 425 OG1 THR A 30 7.015 -8.615 2.634 1.00 0.00 O ATOM 426 CG2 THR A 30 5.683 -10.508 3.071 1.00 0.00 C ATOM 0 H THR A 30 5.248 -6.572 2.265 1.00 0.00 H new ATOM 0 HA THR A 30 5.231 -8.979 0.765 1.00 0.00 H new ATOM 0 HB THR A 30 5.245 -8.512 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.122 -7.660 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.316 -10.753 3.924 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.667 -10.853 3.262 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.071 -10.998 2.178 1.00 0.00 H new ATOM 434 N LYS A 31 2.517 -8.383 2.594 1.00 0.00 N ATOM 435 CA LYS A 31 1.104 -8.755 2.786 1.00 0.00 C ATOM 436 C LYS A 31 0.323 -8.735 1.466 1.00 0.00 C ATOM 437 O LYS A 31 -0.448 -9.658 1.204 1.00 0.00 O ATOM 438 CB LYS A 31 0.479 -7.815 3.835 1.00 0.00 C ATOM 439 CG LYS A 31 -0.913 -8.225 4.351 1.00 0.00 C ATOM 440 CD LYS A 31 -0.907 -9.513 5.200 1.00 0.00 C ATOM 441 CE LYS A 31 -1.202 -10.798 4.410 1.00 0.00 C ATOM 442 NZ LYS A 31 -2.649 -10.936 4.093 1.00 0.00 N ATOM 0 H LYS A 31 2.785 -7.542 3.105 1.00 0.00 H new ATOM 0 HA LYS A 31 1.052 -9.781 3.150 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.157 -7.748 4.686 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.407 -6.816 3.405 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.324 -7.410 4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.579 -8.365 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.067 -9.612 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.646 -9.413 5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.627 -10.795 3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.873 -11.662 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.805 -11.815 3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.197 -10.965 4.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.958 -10.125 3.521 1.00 0.00 H new ATOM 456 N VAL A 32 0.582 -7.740 0.611 1.00 0.00 N ATOM 457 CA VAL A 32 0.051 -7.658 -0.764 1.00 0.00 C ATOM 458 C VAL A 32 0.534 -8.830 -1.623 1.00 0.00 C ATOM 459 O VAL A 32 -0.289 -9.535 -2.207 1.00 0.00 O ATOM 460 CB VAL A 32 0.422 -6.306 -1.412 1.00 0.00 C ATOM 461 CG1 VAL A 32 0.192 -6.286 -2.929 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.404 -5.173 -0.788 1.00 0.00 C ATOM 0 H VAL A 32 1.179 -6.950 0.856 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.036 -7.723 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 32 1.486 -6.164 -1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.471 -5.310 -3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.802 -7.057 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.860 -6.477 -3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.133 -4.226 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.465 -5.365 -0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.202 -5.122 0.282 1.00 0.00 H new ATOM 472 N CYS A 33 1.847 -9.080 -1.682 1.00 0.00 N ATOM 473 CA CYS A 33 2.416 -10.166 -2.492 1.00 0.00 C ATOM 474 C CYS A 33 1.926 -11.553 -2.034 1.00 0.00 C ATOM 475 O CYS A 33 1.661 -12.420 -2.867 1.00 0.00 O ATOM 476 CB CYS A 33 3.949 -10.075 -2.466 1.00 0.00 C ATOM 477 SG CYS A 33 4.514 -8.542 -3.267 1.00 0.00 S ATOM 0 H CYS A 33 2.544 -8.538 -1.172 1.00 0.00 H new ATOM 0 HA CYS A 33 2.069 -10.045 -3.518 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.303 -10.105 -1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 33 4.378 -10.937 -2.976 1.00 0.00 H new ATOM 0 HG CYS A 33 4.388 -7.548 -2.439 1.00 0.00 H new ATOM 483 N ALA A 34 1.729 -11.751 -0.725 1.00 0.00 N ATOM 484 CA ALA A 34 1.154 -12.968 -0.150 1.00 0.00 C ATOM 485 C ALA A 34 -0.331 -13.161 -0.524 1.00 0.00 C ATOM 486 O ALA A 34 -0.730 -14.276 -0.862 1.00 0.00 O ATOM 487 CB ALA A 34 1.352 -12.922 1.370 1.00 0.00 C ATOM 0 H ALA A 34 1.971 -11.052 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 34 1.670 -13.832 -0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.930 -13.821 1.819 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.417 -12.869 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.850 -12.044 1.776 1.00 0.00 H new ATOM 493 N MET A 35 -1.139 -12.089 -0.527 1.00 0.00 N ATOM 494 CA MET A 35 -2.540 -12.121 -0.986 1.00 0.00 C ATOM 495 C MET A 35 -2.656 -12.413 -2.491 1.00 0.00 C ATOM 496 O MET A 35 -3.478 -13.232 -2.907 1.00 0.00 O ATOM 497 CB MET A 35 -3.243 -10.786 -0.656 1.00 0.00 C ATOM 498 CG MET A 35 -4.248 -10.939 0.489 1.00 0.00 C ATOM 499 SD MET A 35 -5.725 -11.900 0.046 1.00 0.00 S ATOM 500 CE MET A 35 -6.660 -11.781 1.594 1.00 0.00 C ATOM 0 H MET A 35 -0.838 -11.168 -0.209 1.00 0.00 H new ATOM 0 HA MET A 35 -3.031 -12.936 -0.454 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.496 -10.039 -0.386 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.757 -10.417 -1.544 1.00 0.00 H new ATOM 0 HG2 MET A 35 -3.753 -11.420 1.333 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.557 -9.949 0.823 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.601 -12.321 1.493 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.077 -12.216 2.406 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.865 -10.734 1.816 1.00 0.00 H new ATOM 510 N LYS A 36 -1.816 -11.768 -3.311 1.00 0.00 N ATOM 511 CA LYS A 36 -1.755 -11.961 -4.772 1.00 0.00 C ATOM 512 C LYS A 36 -1.106 -13.284 -5.200 1.00 0.00 C ATOM 513 O LYS A 36 -1.337 -13.715 -6.329 1.00 0.00 O ATOM 514 CB LYS A 36 -1.019 -10.761 -5.403 1.00 0.00 C ATOM 515 CG LYS A 36 -1.806 -9.434 -5.407 1.00 0.00 C ATOM 516 CD LYS A 36 -2.902 -9.357 -6.488 1.00 0.00 C ATOM 517 CE LYS A 36 -4.270 -9.888 -6.031 1.00 0.00 C ATOM 518 NZ LYS A 36 -5.175 -10.136 -7.188 1.00 0.00 N ATOM 0 H LYS A 36 -1.143 -11.081 -2.972 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.782 -12.017 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.082 -10.607 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.760 -11.014 -6.431 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.265 -9.293 -4.428 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.108 -8.610 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.014 -8.320 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.577 -9.923 -7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.133 -10.813 -5.470 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.732 -9.170 -5.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.089 -10.493 -6.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.324 -9.248 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.744 -10.840 -7.821 1.00 0.00 H new ATOM 532 N LYS A 37 -0.308 -13.920 -4.330 1.00 0.00 N ATOM 533 CA LYS A 37 0.550 -15.096 -4.614 1.00 0.00 C ATOM 534 C LYS A 37 1.540 -14.857 -5.777 1.00 0.00 C ATOM 535 O LYS A 37 1.936 -15.796 -6.470 1.00 0.00 O ATOM 536 CB LYS A 37 -0.308 -16.376 -4.776 1.00 0.00 C ATOM 537 CG LYS A 37 -1.128 -16.779 -3.534 1.00 0.00 C ATOM 538 CD LYS A 37 -0.436 -17.806 -2.620 1.00 0.00 C ATOM 539 CE LYS A 37 0.882 -17.306 -2.016 1.00 0.00 C ATOM 540 NZ LYS A 37 1.500 -18.334 -1.136 1.00 0.00 N ATOM 0 H LYS A 37 -0.235 -13.619 -3.358 1.00 0.00 H new ATOM 0 HA LYS A 37 1.191 -15.254 -3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.992 -16.232 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.350 -17.204 -5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.348 -15.884 -2.953 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.083 -17.188 -3.862 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.116 -18.076 -1.812 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.242 -18.714 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.575 -17.045 -2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.700 -16.397 -1.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 2.390 -17.965 -0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.848 -18.564 -0.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.696 -19.193 -1.689 1.00 0.00 H new ATOM 554 N LEU A 38 1.932 -13.599 -5.991 1.00 0.00 N ATOM 555 CA LEU A 38 2.767 -13.120 -7.104 1.00 0.00 C ATOM 556 C LEU A 38 3.786 -12.053 -6.628 1.00 0.00 C ATOM 557 O LEU A 38 3.548 -11.392 -5.613 1.00 0.00 O ATOM 558 CB LEU A 38 1.866 -12.572 -8.236 1.00 0.00 C ATOM 559 CG LEU A 38 1.531 -13.596 -9.345 1.00 0.00 C ATOM 560 CD1 LEU A 38 0.178 -14.276 -9.138 1.00 0.00 C ATOM 561 CD2 LEU A 38 1.474 -12.906 -10.710 1.00 0.00 C ATOM 0 H LEU A 38 1.663 -12.844 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 38 3.344 -13.959 -7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.935 -12.212 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.358 -11.712 -8.690 1.00 0.00 H new ATOM 0 HG LEU A 38 2.322 -14.345 -9.301 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.001 -14.983 -9.948 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.179 -14.807 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.610 -13.523 -9.133 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.237 -13.641 -11.480 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.704 -12.134 -10.696 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.440 -12.451 -10.928 1.00 0.00 H new ATOM 573 N PRO A 39 4.926 -11.887 -7.334 1.00 0.00 N ATOM 574 CA PRO A 39 6.022 -10.993 -6.942 1.00 0.00 C ATOM 575 C PRO A 39 5.691 -9.488 -7.073 1.00 0.00 C ATOM 576 O PRO A 39 4.751 -9.109 -7.782 1.00 0.00 O ATOM 577 CB PRO A 39 7.195 -11.391 -7.851 1.00 0.00 C ATOM 578 CG PRO A 39 6.511 -11.899 -9.116 1.00 0.00 C ATOM 579 CD PRO A 39 5.282 -12.605 -8.556 1.00 0.00 C ATOM 0 HA PRO A 39 6.244 -11.111 -5.881 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.846 -10.542 -8.060 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.814 -12.162 -7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.242 -11.084 -9.788 1.00 0.00 H new ATOM 0 HG3 PRO A 39 7.150 -12.579 -9.679 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.461 -12.586 -9.273 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.496 -13.653 -8.344 1.00 0.00 H new ATOM 587 N PRO A 40 6.499 -8.596 -6.460 1.00 0.00 N ATOM 588 CA PRO A 40 6.331 -7.144 -6.577 1.00 0.00 C ATOM 589 C PRO A 40 6.563 -6.596 -8.000 1.00 0.00 C ATOM 590 O PRO A 40 6.113 -5.496 -8.315 1.00 0.00 O ATOM 591 CB PRO A 40 7.313 -6.537 -5.569 1.00 0.00 C ATOM 592 CG PRO A 40 8.410 -7.595 -5.461 1.00 0.00 C ATOM 593 CD PRO A 40 7.628 -8.898 -5.587 1.00 0.00 C ATOM 0 HA PRO A 40 5.297 -6.871 -6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.708 -5.583 -5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.837 -6.352 -4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.154 -7.490 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.942 -7.532 -4.512 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.249 -9.688 -6.009 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.287 -9.246 -4.612 1.00 0.00 H new ATOM 601 N ASP A 41 7.217 -7.351 -8.892 1.00 0.00 N ATOM 602 CA ASP A 41 7.365 -6.981 -10.312 1.00 0.00 C ATOM 603 C ASP A 41 6.017 -6.940 -11.063 1.00 0.00 C ATOM 604 O ASP A 41 5.859 -6.166 -12.012 1.00 0.00 O ATOM 605 CB ASP A 41 8.326 -7.956 -11.017 1.00 0.00 C ATOM 606 CG ASP A 41 9.781 -7.921 -10.510 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.199 -6.946 -9.840 1.00 0.00 O ATOM 608 OD2 ASP A 41 10.535 -8.876 -10.818 1.00 0.00 O ATOM 0 H ASP A 41 7.660 -8.238 -8.652 1.00 0.00 H new ATOM 0 HA ASP A 41 7.776 -5.972 -10.334 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.941 -8.969 -10.900 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.324 -7.735 -12.084 1.00 0.00 H new ATOM 613 N THR A 42 5.037 -7.745 -10.636 1.00 0.00 N ATOM 614 CA THR A 42 3.669 -7.790 -11.189 1.00 0.00 C ATOM 615 C THR A 42 2.635 -6.991 -10.384 1.00 0.00 C ATOM 616 O THR A 42 1.558 -6.722 -10.916 1.00 0.00 O ATOM 617 CB THR A 42 3.191 -9.243 -11.371 1.00 0.00 C ATOM 618 OG1 THR A 42 3.568 -10.062 -10.287 1.00 0.00 O ATOM 619 CG2 THR A 42 3.789 -9.874 -12.628 1.00 0.00 C ATOM 0 H THR A 42 5.174 -8.406 -9.872 1.00 0.00 H new ATOM 0 HA THR A 42 3.740 -7.302 -12.161 1.00 0.00 H new ATOM 0 HB THR A 42 2.105 -9.186 -11.443 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.997 -10.876 -10.625 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.431 -10.899 -12.726 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.487 -9.299 -13.503 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.876 -9.875 -12.553 1.00 0.00 H new ATOM 627 N THR A 43 2.933 -6.568 -9.145 1.00 0.00 N ATOM 628 CA THR A 43 2.060 -5.696 -8.326 1.00 0.00 C ATOM 629 C THR A 43 2.870 -4.685 -7.503 1.00 0.00 C ATOM 630 O THR A 43 3.625 -5.069 -6.608 1.00 0.00 O ATOM 631 CB THR A 43 1.139 -6.511 -7.394 1.00 0.00 C ATOM 632 OG1 THR A 43 0.274 -7.346 -8.133 1.00 0.00 O ATOM 633 CG2 THR A 43 0.221 -5.621 -6.549 1.00 0.00 C ATOM 0 H THR A 43 3.800 -6.824 -8.672 1.00 0.00 H new ATOM 0 HA THR A 43 1.436 -5.146 -9.030 1.00 0.00 H new ATOM 0 HB THR A 43 1.817 -7.081 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.297 -7.852 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.405 -6.245 -5.912 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.826 -4.960 -5.928 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.411 -5.023 -7.206 1.00 0.00 H new ATOM 641 N ARG A 44 2.679 -3.384 -7.768 1.00 0.00 N ATOM 642 CA ARG A 44 3.347 -2.251 -7.090 1.00 0.00 C ATOM 643 C ARG A 44 2.376 -1.362 -6.304 1.00 0.00 C ATOM 644 O ARG A 44 1.157 -1.472 -6.444 1.00 0.00 O ATOM 645 CB ARG A 44 4.175 -1.447 -8.119 1.00 0.00 C ATOM 646 CG ARG A 44 5.665 -1.836 -8.153 1.00 0.00 C ATOM 647 CD ARG A 44 6.532 -1.100 -7.115 1.00 0.00 C ATOM 648 NE ARG A 44 6.300 -1.549 -5.724 1.00 0.00 N ATOM 649 CZ ARG A 44 6.559 -0.870 -4.618 1.00 0.00 C ATOM 650 NH1 ARG A 44 7.057 0.331 -4.640 1.00 0.00 N ATOM 651 NH2 ARG A 44 6.315 -1.388 -3.450 1.00 0.00 N ATOM 0 H ARG A 44 2.029 -3.074 -8.490 1.00 0.00 H new ATOM 0 HA ARG A 44 4.022 -2.662 -6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.747 -1.594 -9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.091 -0.385 -7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.753 -2.910 -7.988 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.059 -1.634 -9.149 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.583 -1.245 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.333 -0.030 -7.181 1.00 0.00 H new ATOM 0 HE ARG A 44 5.898 -2.479 -5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.262 0.782 -5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.243 0.822 -3.766 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.920 -2.326 -3.380 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.518 -0.856 -2.604 1.00 0.00 H new ATOM 665 N LEU A 45 2.938 -0.483 -5.471 1.00 0.00 N ATOM 666 CA LEU A 45 2.228 0.383 -4.522 1.00 0.00 C ATOM 667 C LEU A 45 2.888 1.769 -4.426 1.00 0.00 C ATOM 668 O LEU A 45 4.114 1.863 -4.329 1.00 0.00 O ATOM 669 CB LEU A 45 2.196 -0.339 -3.159 1.00 0.00 C ATOM 670 CG LEU A 45 1.600 0.458 -1.982 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.172 0.952 -2.237 1.00 0.00 C ATOM 672 CD2 LEU A 45 1.602 -0.427 -0.736 1.00 0.00 C ATOM 0 H LEU A 45 3.948 -0.348 -5.437 1.00 0.00 H new ATOM 0 HA LEU A 45 1.209 0.562 -4.864 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.626 -1.261 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.215 -0.625 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 45 2.222 1.343 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.183 1.504 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.163 1.605 -3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.482 0.098 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.182 0.126 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.001 -1.317 -0.921 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.625 -0.722 -0.501 1.00 0.00 H new ATOM 684 N THR A 46 2.083 2.834 -4.417 1.00 0.00 N ATOM 685 CA THR A 46 2.546 4.234 -4.307 1.00 0.00 C ATOM 686 C THR A 46 1.717 5.070 -3.321 1.00 0.00 C ATOM 687 O THR A 46 0.573 4.742 -2.986 1.00 0.00 O ATOM 688 CB THR A 46 2.602 4.936 -5.679 1.00 0.00 C ATOM 689 OG1 THR A 46 1.323 4.991 -6.272 1.00 0.00 O ATOM 690 CG2 THR A 46 3.561 4.257 -6.660 1.00 0.00 C ATOM 0 H THR A 46 1.069 2.754 -4.487 1.00 0.00 H new ATOM 0 HA THR A 46 3.558 4.169 -3.908 1.00 0.00 H new ATOM 0 HB THR A 46 2.972 5.941 -5.478 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.384 5.442 -7.140 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.556 4.797 -7.607 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.569 4.261 -6.245 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.242 3.228 -6.828 1.00 0.00 H new ATOM 698 N TYR A 47 2.327 6.159 -2.841 1.00 0.00 N ATOM 699 CA TYR A 47 1.821 7.085 -1.821 1.00 0.00 C ATOM 700 C TYR A 47 2.329 8.509 -2.103 1.00 0.00 C ATOM 701 O TYR A 47 3.522 8.702 -2.350 1.00 0.00 O ATOM 702 CB TYR A 47 2.298 6.594 -0.445 1.00 0.00 C ATOM 703 CG TYR A 47 2.149 7.589 0.695 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.873 8.021 1.107 1.00 0.00 C ATOM 705 CD2 TYR A 47 3.297 8.091 1.341 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.744 8.938 2.167 1.00 0.00 C ATOM 707 CE2 TYR A 47 3.173 9.004 2.406 1.00 0.00 C ATOM 708 CZ TYR A 47 1.893 9.430 2.824 1.00 0.00 C ATOM 709 OH TYR A 47 1.762 10.335 3.831 1.00 0.00 O ATOM 0 H TYR A 47 3.249 6.436 -3.177 1.00 0.00 H new ATOM 0 HA TYR A 47 0.731 7.112 -1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.744 5.690 -0.190 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.348 6.313 -0.523 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.009 7.647 0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.277 7.774 1.017 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.237 9.266 2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.056 9.378 2.903 1.00 0.00 H new ATOM 0 HH TYR A 47 2.648 10.570 4.177 1.00 0.00 H new ATOM 719 N LYS A 48 1.433 9.509 -2.106 1.00 0.00 N ATOM 720 CA LYS A 48 1.736 10.934 -2.404 1.00 0.00 C ATOM 721 C LYS A 48 2.529 11.142 -3.716 1.00 0.00 C ATOM 722 O LYS A 48 3.339 12.064 -3.832 1.00 0.00 O ATOM 723 CB LYS A 48 2.404 11.605 -1.179 1.00 0.00 C ATOM 724 CG LYS A 48 1.539 11.648 0.097 1.00 0.00 C ATOM 725 CD LYS A 48 0.749 12.949 0.308 1.00 0.00 C ATOM 726 CE LYS A 48 -0.308 13.206 -0.774 1.00 0.00 C ATOM 727 NZ LYS A 48 -1.102 14.427 -0.477 1.00 0.00 N ATOM 0 H LYS A 48 0.447 9.353 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 48 0.786 11.435 -2.588 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.330 11.075 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.678 12.625 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.836 10.815 0.068 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.185 11.490 0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.260 12.914 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.445 13.788 0.331 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.180 13.314 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.974 12.346 -0.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.808 14.573 -1.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.586 14.313 0.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.469 15.251 -0.432 1.00 0.00 H new ATOM 741 N GLY A 49 2.315 10.269 -4.706 1.00 0.00 N ATOM 742 CA GLY A 49 3.004 10.281 -6.005 1.00 0.00 C ATOM 743 C GLY A 49 4.425 9.692 -6.019 1.00 0.00 C ATOM 744 O GLY A 49 5.101 9.785 -7.048 1.00 0.00 O ATOM 0 H GLY A 49 1.637 9.511 -4.625 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.396 9.729 -6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.055 11.311 -6.357 1.00 0.00 H new ATOM 748 N ARG A 50 4.890 9.078 -4.917 1.00 0.00 N ATOM 749 CA ARG A 50 6.195 8.392 -4.800 1.00 0.00 C ATOM 750 C ARG A 50 6.046 6.912 -4.433 1.00 0.00 C ATOM 751 O ARG A 50 5.034 6.487 -3.872 1.00 0.00 O ATOM 752 CB ARG A 50 7.100 9.114 -3.779 1.00 0.00 C ATOM 753 CG ARG A 50 7.478 10.542 -4.212 1.00 0.00 C ATOM 754 CD ARG A 50 8.695 11.076 -3.444 1.00 0.00 C ATOM 755 NE ARG A 50 8.443 11.218 -1.994 1.00 0.00 N ATOM 756 CZ ARG A 50 9.356 11.325 -1.042 1.00 0.00 C ATOM 757 NH1 ARG A 50 10.635 11.290 -1.296 1.00 0.00 N ATOM 758 NH2 ARG A 50 9.000 11.472 0.201 1.00 0.00 N ATOM 0 H ARG A 50 4.351 9.043 -4.052 1.00 0.00 H new ATOM 0 HA ARG A 50 6.665 8.433 -5.782 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.591 9.155 -2.816 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.010 8.532 -3.633 1.00 0.00 H new ATOM 0 HG2 ARG A 50 7.692 10.551 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 50 6.629 11.206 -4.051 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.539 10.403 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 50 8.981 12.044 -3.855 1.00 0.00 H new ATOM 0 HE ARG A 50 7.467 11.235 -1.698 1.00 0.00 H new ATOM 0 HH11 ARG A 50 10.961 11.177 -2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.309 11.376 -0.535 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.011 11.505 0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.710 11.554 0.929 1.00 0.00 H new ATOM 772 N ALA A 51 7.081 6.124 -4.722 1.00 0.00 N ATOM 773 CA ALA A 51 7.249 4.777 -4.181 1.00 0.00 C ATOM 774 C ALA A 51 7.798 4.837 -2.740 1.00 0.00 C ATOM 775 O ALA A 51 8.830 5.465 -2.488 1.00 0.00 O ATOM 776 CB ALA A 51 8.186 3.993 -5.111 1.00 0.00 C ATOM 0 H ALA A 51 7.836 6.408 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 51 6.286 4.268 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.323 2.984 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.749 3.942 -6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.152 4.496 -5.163 1.00 0.00 H new ATOM 782 N LEU A 52 7.134 4.160 -1.797 1.00 0.00 N ATOM 783 CA LEU A 52 7.658 3.936 -0.442 1.00 0.00 C ATOM 784 C LEU A 52 8.752 2.852 -0.452 1.00 0.00 C ATOM 785 O LEU A 52 8.593 1.814 -1.104 1.00 0.00 O ATOM 786 CB LEU A 52 6.505 3.545 0.502 1.00 0.00 C ATOM 787 CG LEU A 52 5.626 4.726 0.955 1.00 0.00 C ATOM 788 CD1 LEU A 52 4.314 4.206 1.545 1.00 0.00 C ATOM 789 CD2 LEU A 52 6.324 5.560 2.033 1.00 0.00 C ATOM 0 H LEU A 52 6.213 3.749 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 52 8.110 4.859 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.875 2.810 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.922 3.059 1.384 1.00 0.00 H new ATOM 0 HG LEU A 52 5.440 5.346 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.699 5.048 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.779 3.630 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.528 3.569 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.677 6.385 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.534 4.933 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.259 5.957 1.638 1.00 0.00 H new ATOM 801 N LYS A 53 9.837 3.077 0.301 1.00 0.00 N ATOM 802 CA LYS A 53 10.901 2.093 0.585 1.00 0.00 C ATOM 803 C LYS A 53 11.760 2.524 1.784 1.00 0.00 C ATOM 804 O LYS A 53 12.068 3.706 1.931 1.00 0.00 O ATOM 805 CB LYS A 53 11.799 1.898 -0.659 1.00 0.00 C ATOM 806 CG LYS A 53 12.357 0.466 -0.780 1.00 0.00 C ATOM 807 CD LYS A 53 11.322 -0.580 -1.244 1.00 0.00 C ATOM 808 CE LYS A 53 10.778 -0.351 -2.664 1.00 0.00 C ATOM 809 NZ LYS A 53 11.827 -0.518 -3.708 1.00 0.00 N ATOM 0 H LYS A 53 10.008 3.979 0.746 1.00 0.00 H new ATOM 0 HA LYS A 53 10.418 1.148 0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.226 2.136 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.629 2.603 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 53 13.191 0.471 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.756 0.161 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.778 -1.569 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.486 -0.581 -0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.964 -1.050 -2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.358 0.653 -2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.411 -0.354 -4.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.593 0.166 -3.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.211 -1.484 -3.663 1.00 0.00 H new ATOM 823 N ASP A 54 12.175 1.559 2.609 1.00 0.00 N ATOM 824 CA ASP A 54 13.132 1.720 3.726 1.00 0.00 C ATOM 825 C ASP A 54 12.743 2.771 4.802 1.00 0.00 C ATOM 826 O ASP A 54 13.593 3.277 5.539 1.00 0.00 O ATOM 827 CB ASP A 54 14.554 1.911 3.160 1.00 0.00 C ATOM 828 CG ASP A 54 15.688 1.604 4.160 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.511 0.754 5.068 1.00 0.00 O ATOM 830 OD2 ASP A 54 16.797 2.171 3.997 1.00 0.00 O ATOM 0 H ASP A 54 11.843 0.599 2.519 1.00 0.00 H new ATOM 0 HA ASP A 54 13.099 0.794 4.301 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.673 1.269 2.287 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.659 2.940 2.816 1.00 0.00 H new ATOM 835 N THR A 55 11.453 3.114 4.901 1.00 0.00 N ATOM 836 CA THR A 55 10.917 4.129 5.835 1.00 0.00 C ATOM 837 C THR A 55 10.948 3.668 7.302 1.00 0.00 C ATOM 838 O THR A 55 11.043 4.484 8.218 1.00 0.00 O ATOM 839 CB THR A 55 9.471 4.480 5.433 1.00 0.00 C ATOM 840 OG1 THR A 55 9.416 4.798 4.057 1.00 0.00 O ATOM 841 CG2 THR A 55 8.887 5.668 6.192 1.00 0.00 C ATOM 0 H THR A 55 10.730 2.687 4.322 1.00 0.00 H new ATOM 0 HA THR A 55 11.560 5.006 5.763 1.00 0.00 H new ATOM 0 HB THR A 55 8.882 3.596 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.494 5.018 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.868 5.851 5.852 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.880 5.450 7.260 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.496 6.553 6.007 1.00 0.00 H new ATOM 849 N GLU A 56 10.893 2.350 7.523 1.00 0.00 N ATOM 850 CA GLU A 56 10.790 1.636 8.809 1.00 0.00 C ATOM 851 C GLU A 56 9.492 1.902 9.601 1.00 0.00 C ATOM 852 O GLU A 56 8.751 0.955 9.863 1.00 0.00 O ATOM 853 CB GLU A 56 12.073 1.815 9.643 1.00 0.00 C ATOM 854 CG GLU A 56 12.334 0.599 10.547 1.00 0.00 C ATOM 855 CD GLU A 56 13.677 0.703 11.298 1.00 0.00 C ATOM 856 OE1 GLU A 56 13.956 1.748 11.934 1.00 0.00 O ATOM 857 OE2 GLU A 56 14.464 -0.276 11.275 1.00 0.00 O ATOM 0 H GLU A 56 10.922 1.695 6.741 1.00 0.00 H new ATOM 0 HA GLU A 56 10.705 0.578 8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.923 1.963 8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.988 2.713 10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.523 0.506 11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.328 -0.308 9.942 1.00 0.00 H new ATOM 864 N THR A 57 9.159 3.160 9.914 1.00 0.00 N ATOM 865 CA THR A 57 7.860 3.584 10.484 1.00 0.00 C ATOM 866 C THR A 57 7.442 4.963 9.963 1.00 0.00 C ATOM 867 O THR A 57 8.274 5.857 9.785 1.00 0.00 O ATOM 868 CB THR A 57 7.839 3.620 12.029 1.00 0.00 C ATOM 869 OG1 THR A 57 8.689 4.625 12.543 1.00 0.00 O ATOM 870 CG2 THR A 57 8.222 2.302 12.699 1.00 0.00 C ATOM 0 H THR A 57 9.801 3.940 9.776 1.00 0.00 H new ATOM 0 HA THR A 57 7.153 2.822 10.155 1.00 0.00 H new ATOM 0 HB THR A 57 6.796 3.831 12.266 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.648 4.619 13.522 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.180 2.419 13.782 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.526 1.522 12.391 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.233 2.024 12.403 1.00 0.00 H new ATOM 878 N LEU A 58 6.137 5.170 9.756 1.00 0.00 N ATOM 879 CA LEU A 58 5.591 6.489 9.398 1.00 0.00 C ATOM 880 C LEU A 58 5.721 7.505 10.546 1.00 0.00 C ATOM 881 O LEU A 58 5.874 8.697 10.292 1.00 0.00 O ATOM 882 CB LEU A 58 4.124 6.344 8.952 1.00 0.00 C ATOM 883 CG LEU A 58 3.929 5.597 7.618 1.00 0.00 C ATOM 884 CD1 LEU A 58 2.437 5.364 7.377 1.00 0.00 C ATOM 885 CD2 LEU A 58 4.481 6.383 6.425 1.00 0.00 C ATOM 0 H LEU A 58 5.432 4.436 9.830 1.00 0.00 H new ATOM 0 HA LEU A 58 6.180 6.880 8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.571 5.819 9.731 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.685 7.338 8.864 1.00 0.00 H new ATOM 0 HG LEU A 58 4.473 4.656 7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.299 4.836 6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.026 4.767 8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.921 6.323 7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.320 5.815 5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.968 7.342 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.549 6.552 6.564 1.00 0.00 H new ATOM 897 N GLU A 59 5.722 7.056 11.806 1.00 0.00 N ATOM 898 CA GLU A 59 5.876 7.929 12.980 1.00 0.00 C ATOM 899 C GLU A 59 7.259 8.610 13.053 1.00 0.00 C ATOM 900 O GLU A 59 7.367 9.727 13.562 1.00 0.00 O ATOM 901 CB GLU A 59 5.550 7.130 14.255 1.00 0.00 C ATOM 902 CG GLU A 59 5.227 8.047 15.448 1.00 0.00 C ATOM 903 CD GLU A 59 4.924 7.292 16.760 1.00 0.00 C ATOM 904 OE1 GLU A 59 4.780 6.044 16.763 1.00 0.00 O ATOM 905 OE2 GLU A 59 4.821 7.960 17.818 1.00 0.00 O ATOM 0 H GLU A 59 5.615 6.070 12.044 1.00 0.00 H new ATOM 0 HA GLU A 59 5.166 8.751 12.885 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.701 6.473 14.063 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.396 6.492 14.508 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.069 8.719 15.614 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.369 8.669 15.193 1.00 0.00 H new ATOM 912 N SER A 60 8.301 7.999 12.473 1.00 0.00 N ATOM 913 CA SER A 60 9.637 8.608 12.340 1.00 0.00 C ATOM 914 C SER A 60 9.626 9.875 11.463 1.00 0.00 C ATOM 915 O SER A 60 10.297 10.862 11.780 1.00 0.00 O ATOM 916 CB SER A 60 10.613 7.566 11.774 1.00 0.00 C ATOM 917 OG SER A 60 11.931 8.087 11.705 1.00 0.00 O ATOM 0 H SER A 60 8.243 7.060 12.079 1.00 0.00 H new ATOM 0 HA SER A 60 9.962 8.923 13.332 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.603 6.675 12.402 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.287 7.260 10.780 1.00 0.00 H new ATOM 0 HG SER A 60 12.534 7.405 11.343 1.00 0.00 H new ATOM 923 N LEU A 61 8.819 9.882 10.392 1.00 0.00 N ATOM 924 CA LEU A 61 8.596 11.043 9.510 1.00 0.00 C ATOM 925 C LEU A 61 7.411 11.936 9.946 1.00 0.00 C ATOM 926 O LEU A 61 7.239 13.037 9.417 1.00 0.00 O ATOM 927 CB LEU A 61 8.407 10.554 8.060 1.00 0.00 C ATOM 928 CG LEU A 61 9.544 9.680 7.489 1.00 0.00 C ATOM 929 CD1 LEU A 61 9.267 9.402 6.010 1.00 0.00 C ATOM 930 CD2 LEU A 61 10.920 10.341 7.591 1.00 0.00 C ATOM 0 H LEU A 61 8.288 9.060 10.105 1.00 0.00 H new ATOM 0 HA LEU A 61 9.481 11.675 9.583 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.478 9.987 8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.286 11.425 7.416 1.00 0.00 H new ATOM 0 HG LEU A 61 9.564 8.766 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.066 8.785 5.600 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.316 8.878 5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.221 10.345 5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.675 9.676 7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.915 11.279 7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.151 10.540 8.637 1.00 0.00 H new ATOM 942 N GLY A 62 6.605 11.472 10.906 1.00 0.00 N ATOM 943 CA GLY A 62 5.350 12.081 11.361 1.00 0.00 C ATOM 944 C GLY A 62 4.123 11.526 10.620 1.00 0.00 C ATOM 945 O GLY A 62 3.992 11.684 9.403 1.00 0.00 O ATOM 0 H GLY A 62 6.822 10.615 11.415 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.233 11.908 12.431 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.400 13.160 11.216 1.00 0.00 H new ATOM 949 N VAL A 63 3.208 10.894 11.364 1.00 0.00 N ATOM 950 CA VAL A 63 1.916 10.381 10.858 1.00 0.00 C ATOM 951 C VAL A 63 0.929 11.528 10.589 1.00 0.00 C ATOM 952 O VAL A 63 0.874 12.503 11.345 1.00 0.00 O ATOM 953 CB VAL A 63 1.317 9.347 11.843 1.00 0.00 C ATOM 954 CG1 VAL A 63 -0.127 8.927 11.535 1.00 0.00 C ATOM 955 CG2 VAL A 63 2.149 8.059 11.844 1.00 0.00 C ATOM 0 H VAL A 63 3.342 10.718 12.360 1.00 0.00 H new ATOM 0 HA VAL A 63 2.100 9.878 9.909 1.00 0.00 H new ATOM 0 HB VAL A 63 1.330 9.860 12.805 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.461 8.202 12.277 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.775 9.803 11.566 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.172 8.478 10.543 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.713 7.345 12.542 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.156 7.630 10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.171 8.286 12.148 1.00 0.00 H new ATOM 965 N ALA A 64 0.106 11.377 9.548 1.00 0.00 N ATOM 966 CA ALA A 64 -1.086 12.185 9.278 1.00 0.00 C ATOM 967 C ALA A 64 -2.330 11.281 9.120 1.00 0.00 C ATOM 968 O ALA A 64 -2.214 10.086 8.833 1.00 0.00 O ATOM 969 CB ALA A 64 -0.822 13.066 8.050 1.00 0.00 C ATOM 0 H ALA A 64 0.259 10.658 8.841 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.298 12.844 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.704 13.672 7.840 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.028 13.719 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.603 12.434 7.189 1.00 0.00 H new ATOM 975 N ASP A 65 -3.529 11.824 9.346 1.00 0.00 N ATOM 976 CA ASP A 65 -4.789 11.074 9.210 1.00 0.00 C ATOM 977 C ASP A 65 -5.361 11.135 7.780 1.00 0.00 C ATOM 978 O ASP A 65 -5.236 12.153 7.093 1.00 0.00 O ATOM 979 CB ASP A 65 -5.816 11.569 10.242 1.00 0.00 C ATOM 980 CG ASP A 65 -6.952 10.557 10.476 1.00 0.00 C ATOM 981 OD1 ASP A 65 -6.668 9.334 10.505 1.00 0.00 O ATOM 982 OD2 ASP A 65 -8.112 10.987 10.673 1.00 0.00 O ATOM 0 H ASP A 65 -3.658 12.796 9.629 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.568 10.025 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.310 11.767 11.187 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.240 12.514 9.903 1.00 0.00 H new ATOM 987 N GLY A 66 -6.024 10.060 7.337 1.00 0.00 N ATOM 988 CA GLY A 66 -6.648 9.984 6.009 1.00 0.00 C ATOM 989 C GLY A 66 -5.661 9.790 4.848 1.00 0.00 C ATOM 990 O GLY A 66 -5.953 10.208 3.726 1.00 0.00 O ATOM 0 H GLY A 66 -6.144 9.213 7.893 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.361 9.160 6.004 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.216 10.898 5.836 1.00 0.00 H new ATOM 994 N ASP A 67 -4.493 9.186 5.097 1.00 0.00 N ATOM 995 CA ASP A 67 -3.503 8.855 4.056 1.00 0.00 C ATOM 996 C ASP A 67 -4.070 7.868 3.018 1.00 0.00 C ATOM 997 O ASP A 67 -4.785 6.921 3.368 1.00 0.00 O ATOM 998 CB ASP A 67 -2.213 8.291 4.681 1.00 0.00 C ATOM 999 CG ASP A 67 -1.388 9.307 5.494 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.603 10.536 5.360 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.488 8.861 6.245 1.00 0.00 O ATOM 0 H ASP A 67 -4.202 8.909 6.035 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.263 9.783 3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.476 7.456 5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.586 7.890 3.885 1.00 0.00 H new ATOM 1006 N LYS A 68 -3.746 8.077 1.733 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.279 7.280 0.616 1.00 0.00 C ATOM 1008 C LYS A 68 -3.183 6.554 -0.162 1.00 0.00 C ATOM 1009 O LYS A 68 -2.162 7.149 -0.509 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.179 8.124 -0.303 1.00 0.00 C ATOM 1011 CG LYS A 68 -6.348 8.765 0.468 1.00 0.00 C ATOM 1012 CD LYS A 68 -7.456 9.314 -0.440 1.00 0.00 C ATOM 1013 CE LYS A 68 -6.951 10.449 -1.343 1.00 0.00 C ATOM 1014 NZ LYS A 68 -8.053 11.041 -2.144 1.00 0.00 N ATOM 0 H LYS A 68 -3.101 8.810 1.437 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.904 6.503 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.584 8.906 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.572 7.496 -1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.777 8.024 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.963 9.575 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.851 8.508 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.280 9.678 0.173 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.488 11.223 -0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.179 10.067 -2.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.676 11.804 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.478 10.307 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.778 11.427 -1.506 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.417 5.276 -0.449 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.467 4.361 -1.089 1.00 0.00 C ATOM 1030 C PHE A 69 -3.057 3.781 -2.381 1.00 0.00 C ATOM 1031 O PHE A 69 -4.227 3.400 -2.400 1.00 0.00 O ATOM 1032 CB PHE A 69 -2.104 3.234 -0.106 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.574 3.638 1.264 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -0.666 4.706 1.405 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -1.949 2.897 2.402 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.154 5.042 2.672 1.00 0.00 C ATOM 1037 CE2 PHE A 69 -1.429 3.228 3.668 1.00 0.00 C ATOM 1038 CZ PHE A 69 -0.537 4.305 3.805 1.00 0.00 C ATOM 0 H PHE A 69 -4.308 4.829 -0.235 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.564 4.912 -1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.992 2.620 0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.356 2.600 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.361 5.270 0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.638 2.071 2.303 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.535 5.868 2.774 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.716 2.653 4.536 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.147 4.565 4.778 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.266 3.677 -3.454 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.729 3.178 -4.766 1.00 0.00 C ATOM 1050 C VAL A 70 -1.960 1.918 -5.164 1.00 0.00 C ATOM 1051 O VAL A 70 -0.731 1.947 -5.240 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.625 4.268 -5.853 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -3.170 3.773 -7.201 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.412 5.529 -5.467 1.00 0.00 C ATOM 0 H VAL A 70 -1.280 3.937 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.783 2.916 -4.674 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.564 4.504 -5.942 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.081 4.567 -7.943 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.598 2.905 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.218 3.496 -7.090 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.315 6.274 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.464 5.275 -5.334 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.016 5.934 -4.536 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.679 0.816 -5.420 1.00 0.00 N ATOM 1065 CA LEU A 71 -2.110 -0.458 -5.883 1.00 0.00 C ATOM 1066 C LEU A 71 -2.243 -0.588 -7.408 1.00 0.00 C ATOM 1067 O LEU A 71 -3.326 -0.361 -7.953 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.811 -1.645 -5.186 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.864 -2.810 -4.865 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -1.111 -2.533 -3.569 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -2.656 -4.106 -4.704 1.00 0.00 C ATOM 0 H LEU A 71 -3.692 0.785 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.051 -0.473 -5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.270 -1.294 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.617 -2.007 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.157 -2.911 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.442 -3.366 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.528 -1.618 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.823 -2.417 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.973 -4.924 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.373 -3.996 -3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.188 -4.325 -5.630 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.177 -1.020 -8.085 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.130 -1.207 -9.543 1.00 0.00 C ATOM 1085 C ILE A 72 -0.670 -2.634 -9.867 1.00 0.00 C ATOM 1086 O ILE A 72 0.488 -2.987 -9.637 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.235 -0.140 -10.223 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.671 1.312 -9.897 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.265 -0.335 -11.752 1.00 0.00 C ATOM 1090 CD1 ILE A 72 0.132 1.936 -8.746 1.00 0.00 C ATOM 0 H ILE A 72 -0.298 -1.257 -7.625 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.133 -1.071 -9.948 1.00 0.00 H new ATOM 0 HB ILE A 72 0.772 -0.279 -9.830 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.557 1.929 -10.789 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.730 1.318 -9.639 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.365 0.417 -12.227 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.107 -1.329 -11.999 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.288 -0.231 -12.112 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.220 2.952 -8.566 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.003 1.340 -7.843 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.189 1.960 -9.011 1.00 0.00 H new ATOM 1102 N THR A 73 -1.577 -3.447 -10.415 1.00 0.00 N ATOM 1103 CA THR A 73 -1.284 -4.780 -10.977 1.00 0.00 C ATOM 1104 C THR A 73 -0.949 -4.693 -12.474 1.00 0.00 C ATOM 1105 O THR A 73 -1.437 -3.799 -13.174 1.00 0.00 O ATOM 1106 CB THR A 73 -2.446 -5.756 -10.700 1.00 0.00 C ATOM 1107 OG1 THR A 73 -2.143 -7.066 -11.131 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.771 -5.367 -11.359 1.00 0.00 C ATOM 0 H THR A 73 -2.563 -3.195 -10.485 1.00 0.00 H new ATOM 0 HA THR A 73 -0.399 -5.174 -10.478 1.00 0.00 H new ATOM 0 HB THR A 73 -2.566 -5.708 -9.618 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.900 -7.657 -10.938 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.532 -6.108 -11.112 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.085 -4.389 -10.995 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.642 -5.327 -12.441 1.00 0.00 H new ATOM 1116 N ARG A 74 -0.147 -5.636 -12.984 1.00 0.00 N ATOM 1117 CA ARG A 74 0.171 -5.814 -14.414 1.00 0.00 C ATOM 1118 C ARG A 74 -0.211 -7.220 -14.891 1.00 0.00 C ATOM 1119 O ARG A 74 0.278 -8.221 -14.365 1.00 0.00 O ATOM 1120 CB ARG A 74 1.653 -5.466 -14.656 1.00 0.00 C ATOM 1121 CG ARG A 74 2.114 -5.765 -16.095 1.00 0.00 C ATOM 1122 CD ARG A 74 3.458 -5.101 -16.420 1.00 0.00 C ATOM 1123 NE ARG A 74 3.297 -3.664 -16.724 1.00 0.00 N ATOM 1124 CZ ARG A 74 4.258 -2.767 -16.858 1.00 0.00 C ATOM 1125 NH1 ARG A 74 5.513 -3.056 -16.654 1.00 0.00 N ATOM 1126 NH2 ARG A 74 3.973 -1.545 -17.208 1.00 0.00 N ATOM 0 H ARG A 74 0.318 -6.325 -12.392 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.426 -5.128 -15.016 1.00 0.00 H new ATOM 0 HB2 ARG A 74 1.812 -4.409 -14.442 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.272 -6.030 -13.958 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.201 -6.843 -16.231 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.358 -5.415 -16.798 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.137 -5.221 -15.576 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.916 -5.604 -17.271 1.00 0.00 H new ATOM 0 HE ARG A 74 2.341 -3.328 -16.843 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.781 -4.002 -16.381 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.227 -2.336 -16.767 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.004 -1.277 -17.380 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.719 -0.857 -17.310 1.00 0.00 H new ATOM 1140 N THR A 75 -1.084 -7.280 -15.897 1.00 0.00 N ATOM 1141 CA THR A 75 -1.535 -8.512 -16.572 1.00 0.00 C ATOM 1142 C THR A 75 -0.482 -9.067 -17.543 1.00 0.00 C ATOM 1143 O THR A 75 0.433 -8.359 -17.976 1.00 0.00 O ATOM 1144 CB THR A 75 -2.858 -8.265 -17.323 1.00 0.00 C ATOM 1145 OG1 THR A 75 -2.740 -7.155 -18.192 1.00 0.00 O ATOM 1146 CG2 THR A 75 -4.018 -7.998 -16.363 1.00 0.00 C ATOM 0 H THR A 75 -1.518 -6.442 -16.284 1.00 0.00 H new ATOM 0 HA THR A 75 -1.691 -9.258 -15.793 1.00 0.00 H new ATOM 0 HB THR A 75 -3.066 -9.172 -17.891 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.589 -7.015 -18.661 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.931 -7.829 -16.934 1.00 0.00 H new ATOM 0 HG22 THR A 75 -4.153 -8.859 -15.708 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.797 -7.116 -15.762 1.00 0.00 H new ATOM 1154 N VAL A 76 -0.607 -10.354 -17.894 1.00 0.00 N ATOM 1155 CA VAL A 76 0.309 -11.062 -18.816 1.00 0.00 C ATOM 1156 C VAL A 76 0.151 -10.587 -20.273 1.00 0.00 C ATOM 1157 O VAL A 76 1.138 -10.504 -21.009 1.00 0.00 O ATOM 1158 CB VAL A 76 0.098 -12.589 -18.703 1.00 0.00 C ATOM 1159 CG1 VAL A 76 0.993 -13.396 -19.653 1.00 0.00 C ATOM 1160 CG2 VAL A 76 0.386 -13.083 -17.277 1.00 0.00 C ATOM 0 H VAL A 76 -1.358 -10.948 -17.543 1.00 0.00 H new ATOM 0 HA VAL A 76 1.330 -10.823 -18.519 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.945 -12.751 -18.974 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.795 -14.460 -19.523 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.781 -13.110 -20.683 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.040 -13.192 -19.428 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.230 -14.161 -17.227 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.419 -12.854 -17.014 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.286 -12.586 -16.577 1.00 0.00 H new ATOM 1170 N GLY A 77 -1.077 -10.245 -20.687 1.00 0.00 N ATOM 1171 CA GLY A 77 -1.431 -9.787 -22.042 1.00 0.00 C ATOM 1172 C GLY A 77 -2.903 -9.396 -22.186 1.00 0.00 C ATOM 1173 O GLY A 77 -3.769 -10.106 -21.629 1.00 0.00 O ATOM 1174 OXT GLY A 77 -3.181 -8.383 -22.865 1.00 0.00 O ATOM 0 H GLY A 77 -1.884 -10.280 -20.064 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.808 -8.931 -22.302 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.201 -10.578 -22.756 1.00 0.00 H new TER 1178 GLY A 77