USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 GLN : amide:sc= -10.9! C(o=-12!,f=-17!) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= -0.763 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -177:sc= -5.06! (180deg=-5.23!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 26:sc= 1.18 USER MOD Single : A 18 THR OG1 : rot -61:sc= -0.176! USER MOD Single : A 20 MET CE :methyl -125:sc= -0.106 (180deg=-1.22) USER MOD Single : A 21 ASN : amide:sc= -5.29! C(o=-5.3!,f=-11!) USER MOD Single : A 22 THR OG1 : rot 130:sc= -3.85! USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -143:sc= -0.822 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.941 USER MOD Single : A 53 ASN : amide:sc= 0.149 X(o=0.15,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0119) USER MOD Single : A 62 GLN : amide:sc=-0.00952 X(o=-0.0095,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc=-0.00585 X(o=-0.0058,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.11 (180deg=-0.378) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 75 TYR OH : rot 180:sc= -0.0714 USER MOD Single : A 82 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.098) USER MOD Single : A 83 ASN : amide:sc= -5! C(o=-5!,f=-18!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -129:sc= -0.576 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.831 28.016 5.641 1.00 0.00 N ATOM 2 CA GLY A 1 13.184 26.939 4.735 1.00 0.00 C ATOM 3 C GLY A 1 12.001 26.053 4.399 1.00 0.00 C ATOM 4 O GLY A 1 11.659 25.147 5.159 1.00 0.00 O ATOM 0 H1 GLY A 1 13.673 28.593 5.840 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.099 28.611 5.204 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.467 27.617 6.530 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.591 27.360 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.971 26.334 5.184 1.00 0.00 H new ATOM 8 N SER A 2 11.372 26.316 3.257 1.00 0.00 N ATOM 9 CA SER A 2 10.216 25.539 2.825 1.00 0.00 C ATOM 10 C SER A 2 10.654 24.246 2.145 1.00 0.00 C ATOM 11 O SER A 2 10.229 23.156 2.527 1.00 0.00 O ATOM 12 CB SER A 2 9.350 26.363 1.870 1.00 0.00 C ATOM 13 OG SER A 2 8.615 27.351 2.571 1.00 0.00 O ATOM 0 H SER A 2 11.644 27.061 2.615 1.00 0.00 H new ATOM 0 HA SER A 2 9.630 25.284 3.708 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.982 26.839 1.120 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.664 25.705 1.337 1.00 0.00 H new ATOM 0 HG SER A 2 8.071 27.865 1.938 1.00 0.00 H new ATOM 19 N SER A 3 11.508 24.376 1.134 1.00 0.00 N ATOM 20 CA SER A 3 12.002 23.219 0.397 1.00 0.00 C ATOM 21 C SER A 3 12.819 22.305 1.305 1.00 0.00 C ATOM 22 O SER A 3 13.905 22.669 1.756 1.00 0.00 O ATOM 23 CB SER A 3 12.853 23.670 -0.791 1.00 0.00 C ATOM 24 OG SER A 3 13.411 22.558 -1.470 1.00 0.00 O ATOM 0 H SER A 3 11.872 25.271 0.807 1.00 0.00 H new ATOM 0 HA SER A 3 11.142 22.660 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.241 24.252 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.651 24.325 -0.443 1.00 0.00 H new ATOM 0 HG SER A 3 13.949 22.873 -2.226 1.00 0.00 H new ATOM 30 N GLY A 4 12.289 21.115 1.569 1.00 0.00 N ATOM 31 CA GLY A 4 12.982 20.167 2.422 1.00 0.00 C ATOM 32 C GLY A 4 12.729 18.728 2.014 1.00 0.00 C ATOM 33 O GLY A 4 11.961 18.018 2.663 1.00 0.00 O ATOM 0 H GLY A 4 11.392 20.790 1.208 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.053 20.368 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.663 20.310 3.454 1.00 0.00 H new ATOM 37 N SER A 5 13.376 18.298 0.935 1.00 0.00 N ATOM 38 CA SER A 5 13.214 16.937 0.439 1.00 0.00 C ATOM 39 C SER A 5 14.150 15.978 1.167 1.00 0.00 C ATOM 40 O SER A 5 15.220 15.635 0.663 1.00 0.00 O ATOM 41 CB SER A 5 13.482 16.885 -1.067 1.00 0.00 C ATOM 42 OG SER A 5 13.168 15.609 -1.597 1.00 0.00 O ATOM 0 H SER A 5 14.017 18.873 0.388 1.00 0.00 H new ATOM 0 HA SER A 5 12.186 16.628 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.889 17.648 -1.572 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.530 17.115 -1.261 1.00 0.00 H new ATOM 0 HG SER A 5 13.346 15.602 -2.561 1.00 0.00 H new ATOM 48 N SER A 6 13.740 15.549 2.356 1.00 0.00 N ATOM 49 CA SER A 6 14.543 14.632 3.157 1.00 0.00 C ATOM 50 C SER A 6 13.785 13.335 3.422 1.00 0.00 C ATOM 51 O SER A 6 12.573 13.343 3.632 1.00 0.00 O ATOM 52 CB SER A 6 14.934 15.288 4.483 1.00 0.00 C ATOM 53 OG SER A 6 15.848 14.478 5.202 1.00 0.00 O ATOM 0 H SER A 6 12.856 15.822 2.786 1.00 0.00 H new ATOM 0 HA SER A 6 15.447 14.395 2.596 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.380 16.264 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.042 15.458 5.085 1.00 0.00 H new ATOM 0 HG SER A 6 16.084 14.920 6.044 1.00 0.00 H new ATOM 59 N GLY A 7 14.510 12.220 3.409 1.00 0.00 N ATOM 60 CA GLY A 7 13.890 10.930 3.649 1.00 0.00 C ATOM 61 C GLY A 7 14.188 9.930 2.550 1.00 0.00 C ATOM 62 O GLY A 7 14.801 10.257 1.533 1.00 0.00 O ATOM 0 H GLY A 7 15.515 12.187 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.241 10.533 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.811 11.059 3.735 1.00 0.00 H new ATOM 66 N PRO A 8 13.751 8.678 2.749 1.00 0.00 N ATOM 67 CA PRO A 8 13.965 7.601 1.777 1.00 0.00 C ATOM 68 C PRO A 8 13.140 7.792 0.509 1.00 0.00 C ATOM 69 O PRO A 8 12.245 8.634 0.461 1.00 0.00 O ATOM 70 CB PRO A 8 13.507 6.349 2.529 1.00 0.00 C ATOM 71 CG PRO A 8 12.533 6.848 3.540 1.00 0.00 C ATOM 72 CD PRO A 8 13.014 8.217 3.937 1.00 0.00 C ATOM 0 HA PRO A 8 15.000 7.557 1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.043 5.630 1.854 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.347 5.844 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.527 6.893 3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.491 6.183 4.403 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.183 8.881 4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.655 8.178 4.817 1.00 0.00 H new ATOM 80 N GLY A 9 13.447 7.003 -0.516 1.00 0.00 N ATOM 81 CA GLY A 9 12.724 7.101 -1.771 1.00 0.00 C ATOM 82 C GLY A 9 11.431 6.311 -1.758 1.00 0.00 C ATOM 83 O GLY A 9 10.992 5.843 -0.707 1.00 0.00 O ATOM 0 H GLY A 9 14.184 6.298 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.504 8.148 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.358 6.741 -2.581 1.00 0.00 H new ATOM 87 N ARG A 10 10.818 6.164 -2.927 1.00 0.00 N ATOM 88 CA ARG A 10 9.565 5.427 -3.046 1.00 0.00 C ATOM 89 C ARG A 10 9.825 3.931 -3.187 1.00 0.00 C ATOM 90 O ARG A 10 10.577 3.485 -4.055 1.00 0.00 O ATOM 91 CB ARG A 10 8.763 5.932 -4.247 1.00 0.00 C ATOM 92 CG ARG A 10 9.494 5.784 -5.572 1.00 0.00 C ATOM 93 CD ARG A 10 8.697 6.389 -6.717 1.00 0.00 C ATOM 94 NE ARG A 10 8.555 7.836 -6.581 1.00 0.00 N ATOM 95 CZ ARG A 10 7.613 8.543 -7.196 1.00 0.00 C ATOM 96 NH1 ARG A 10 6.734 7.939 -7.984 1.00 0.00 N ATOM 97 NH2 ARG A 10 7.548 9.857 -7.022 1.00 0.00 N ATOM 0 H ARG A 10 11.168 6.545 -3.806 1.00 0.00 H new ATOM 0 HA ARG A 10 8.988 5.593 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.820 5.387 -4.299 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.516 6.982 -4.093 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.468 6.270 -5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.677 4.728 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG A 10 9.190 6.160 -7.662 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.709 5.930 -6.753 1.00 0.00 H new ATOM 0 HE ARG A 10 9.215 8.331 -5.981 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.780 6.929 -8.119 1.00 0.00 H new ATOM 0 HH12 ARG A 10 6.012 8.484 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.222 10.325 -6.416 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.824 10.399 -7.495 1.00 0.00 H new ATOM 111 N PRO A 11 9.190 3.134 -2.315 1.00 0.00 N ATOM 112 CA PRO A 11 9.337 1.675 -2.323 1.00 0.00 C ATOM 113 C PRO A 11 8.679 1.033 -3.539 1.00 0.00 C ATOM 114 O PRO A 11 7.745 1.588 -4.120 1.00 0.00 O ATOM 115 CB PRO A 11 8.626 1.241 -1.039 1.00 0.00 C ATOM 116 CG PRO A 11 7.641 2.325 -0.765 1.00 0.00 C ATOM 117 CD PRO A 11 8.278 3.596 -1.255 1.00 0.00 C ATOM 0 HA PRO A 11 10.382 1.370 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.130 0.279 -1.167 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.331 1.129 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.699 2.136 -1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.415 2.387 0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.536 4.295 -1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.816 4.109 -0.458 1.00 0.00 H new ATOM 125 N THR A 12 9.171 -0.142 -3.921 1.00 0.00 N ATOM 126 CA THR A 12 8.632 -0.860 -5.069 1.00 0.00 C ATOM 127 C THR A 12 7.525 -1.818 -4.647 1.00 0.00 C ATOM 128 O THR A 12 7.793 -2.901 -4.127 1.00 0.00 O ATOM 129 CB THR A 12 9.730 -1.652 -5.802 1.00 0.00 C ATOM 130 OG1 THR A 12 10.785 -0.771 -6.204 1.00 0.00 O ATOM 131 CG2 THR A 12 9.163 -2.361 -7.023 1.00 0.00 C ATOM 0 H THR A 12 9.942 -0.616 -3.451 1.00 0.00 H new ATOM 0 HA THR A 12 8.222 -0.111 -5.746 1.00 0.00 H new ATOM 0 HB THR A 12 10.124 -2.402 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.480 -1.283 -6.668 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.957 -2.914 -7.524 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.381 -3.053 -6.711 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.744 -1.625 -7.709 1.00 0.00 H new ATOM 139 N MET A 13 6.279 -1.414 -4.875 1.00 0.00 N ATOM 140 CA MET A 13 5.131 -2.240 -4.519 1.00 0.00 C ATOM 141 C MET A 13 4.658 -3.058 -5.717 1.00 0.00 C ATOM 142 O MET A 13 4.653 -2.573 -6.848 1.00 0.00 O ATOM 143 CB MET A 13 3.988 -1.365 -4.001 1.00 0.00 C ATOM 144 CG MET A 13 2.846 -2.158 -3.387 1.00 0.00 C ATOM 145 SD MET A 13 1.798 -1.154 -2.317 1.00 0.00 S ATOM 146 CE MET A 13 1.382 0.195 -3.421 1.00 0.00 C ATOM 0 H MET A 13 6.039 -0.520 -5.304 1.00 0.00 H new ATOM 0 HA MET A 13 5.439 -2.927 -3.731 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.380 -0.673 -3.256 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.601 -0.763 -4.823 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.239 -2.588 -4.183 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.254 -2.989 -2.812 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.779 0.930 -2.887 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.297 0.667 -3.779 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.817 -0.190 -4.269 1.00 0.00 H new ATOM 156 N MET A 14 4.262 -4.300 -5.460 1.00 0.00 N ATOM 157 CA MET A 14 3.787 -5.184 -6.517 1.00 0.00 C ATOM 158 C MET A 14 2.498 -5.887 -6.101 1.00 0.00 C ATOM 159 O MET A 14 2.514 -6.784 -5.258 1.00 0.00 O ATOM 160 CB MET A 14 4.857 -6.221 -6.864 1.00 0.00 C ATOM 161 CG MET A 14 6.194 -5.609 -7.247 1.00 0.00 C ATOM 162 SD MET A 14 7.337 -6.817 -7.944 1.00 0.00 S ATOM 163 CE MET A 14 8.513 -6.984 -6.602 1.00 0.00 C ATOM 0 H MET A 14 4.261 -4.717 -4.529 1.00 0.00 H new ATOM 0 HA MET A 14 3.581 -4.576 -7.398 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.001 -6.883 -6.010 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.500 -6.838 -7.688 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.030 -4.811 -7.971 1.00 0.00 H new ATOM 0 HG3 MET A 14 6.646 -5.153 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.285 -7.700 -6.882 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.972 -6.017 -6.398 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.998 -7.337 -5.709 1.00 0.00 H new ATOM 173 N ILE A 15 1.385 -5.472 -6.695 1.00 0.00 N ATOM 174 CA ILE A 15 0.088 -6.062 -6.386 1.00 0.00 C ATOM 175 C ILE A 15 -0.246 -7.193 -7.353 1.00 0.00 C ATOM 176 O ILE A 15 -0.188 -7.020 -8.570 1.00 0.00 O ATOM 177 CB ILE A 15 -1.036 -5.010 -6.435 1.00 0.00 C ATOM 178 CG1 ILE A 15 -0.725 -3.855 -5.481 1.00 0.00 C ATOM 179 CG2 ILE A 15 -2.373 -5.647 -6.087 1.00 0.00 C ATOM 180 CD1 ILE A 15 -1.294 -2.528 -5.933 1.00 0.00 C ATOM 0 H ILE A 15 1.355 -4.729 -7.393 1.00 0.00 H new ATOM 0 HA ILE A 15 0.156 -6.461 -5.374 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.098 -4.613 -7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.121 -4.093 -4.494 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.356 -3.761 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.157 -4.891 -6.126 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.596 -6.439 -6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.325 -6.069 -5.083 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.035 -1.755 -5.209 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.879 -2.267 -6.907 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.379 -2.604 -6.009 1.00 0.00 H new ATOM 192 N SER A 16 -0.598 -8.350 -6.802 1.00 0.00 N ATOM 193 CA SER A 16 -0.940 -9.511 -7.616 1.00 0.00 C ATOM 194 C SER A 16 -2.285 -10.093 -7.193 1.00 0.00 C ATOM 195 O SER A 16 -2.494 -10.421 -6.024 1.00 0.00 O ATOM 196 CB SER A 16 0.149 -10.579 -7.503 1.00 0.00 C ATOM 197 OG SER A 16 0.179 -11.402 -8.656 1.00 0.00 O ATOM 0 H SER A 16 -0.654 -8.509 -5.796 1.00 0.00 H new ATOM 0 HA SER A 16 -1.014 -9.187 -8.654 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.119 -10.101 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.029 -11.192 -6.620 1.00 0.00 H new ATOM 0 HG SER A 16 0.885 -12.075 -8.559 1.00 0.00 H new ATOM 203 N THR A 17 -3.196 -10.221 -8.152 1.00 0.00 N ATOM 204 CA THR A 17 -4.522 -10.762 -7.881 1.00 0.00 C ATOM 205 C THR A 17 -4.557 -12.270 -8.106 1.00 0.00 C ATOM 206 O THR A 17 -4.533 -12.739 -9.245 1.00 0.00 O ATOM 207 CB THR A 17 -5.593 -10.097 -8.766 1.00 0.00 C ATOM 208 OG1 THR A 17 -5.366 -10.427 -10.141 1.00 0.00 O ATOM 209 CG2 THR A 17 -5.576 -8.586 -8.593 1.00 0.00 C ATOM 0 H THR A 17 -3.040 -9.957 -9.125 1.00 0.00 H new ATOM 0 HA THR A 17 -4.743 -10.548 -6.835 1.00 0.00 H new ATOM 0 HB THR A 17 -6.570 -10.471 -8.459 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.890 -11.282 -10.198 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.341 -8.138 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.778 -8.337 -7.551 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.597 -8.198 -8.876 1.00 0.00 H new ATOM 217 N THR A 18 -4.614 -13.026 -7.014 1.00 0.00 N ATOM 218 CA THR A 18 -4.652 -14.480 -7.093 1.00 0.00 C ATOM 219 C THR A 18 -6.049 -15.011 -6.789 1.00 0.00 C ATOM 220 O THR A 18 -6.736 -15.519 -7.675 1.00 0.00 O ATOM 221 CB THR A 18 -3.648 -15.122 -6.117 1.00 0.00 C ATOM 222 OG1 THR A 18 -4.064 -14.894 -4.766 1.00 0.00 O ATOM 223 CG2 THR A 18 -2.252 -14.554 -6.326 1.00 0.00 C ATOM 0 H THR A 18 -4.635 -12.655 -6.064 1.00 0.00 H new ATOM 0 HA THR A 18 -4.378 -14.748 -8.113 1.00 0.00 H new ATOM 0 HB THR A 18 -3.620 -16.194 -6.312 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.090 -13.930 -4.590 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.560 -15.022 -5.626 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.927 -14.755 -7.347 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.268 -13.478 -6.155 1.00 0.00 H new ATOM 231 N ALA A 19 -6.463 -14.890 -5.532 1.00 0.00 N ATOM 232 CA ALA A 19 -7.779 -15.355 -5.113 1.00 0.00 C ATOM 233 C ALA A 19 -8.871 -14.391 -5.563 1.00 0.00 C ATOM 234 O ALA A 19 -8.585 -13.304 -6.064 1.00 0.00 O ATOM 235 CB ALA A 19 -7.819 -15.534 -3.602 1.00 0.00 C ATOM 0 H ALA A 19 -5.906 -14.474 -4.786 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.965 -16.319 -5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.808 -15.882 -3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.070 -16.268 -3.303 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.607 -14.581 -3.117 1.00 0.00 H new ATOM 241 N MET A 20 -10.124 -14.796 -5.381 1.00 0.00 N ATOM 242 CA MET A 20 -11.259 -13.967 -5.768 1.00 0.00 C ATOM 243 C MET A 20 -11.545 -12.908 -4.708 1.00 0.00 C ATOM 244 O MET A 20 -11.727 -13.226 -3.533 1.00 0.00 O ATOM 245 CB MET A 20 -12.500 -14.834 -5.988 1.00 0.00 C ATOM 246 CG MET A 20 -12.335 -15.859 -7.098 1.00 0.00 C ATOM 247 SD MET A 20 -12.671 -15.174 -8.732 1.00 0.00 S ATOM 248 CE MET A 20 -11.022 -14.696 -9.243 1.00 0.00 C ATOM 0 H MET A 20 -10.379 -15.693 -4.968 1.00 0.00 H new ATOM 0 HA MET A 20 -11.007 -13.463 -6.701 1.00 0.00 H new ATOM 0 HB2 MET A 20 -12.741 -15.351 -5.059 1.00 0.00 H new ATOM 0 HB3 MET A 20 -13.347 -14.189 -6.223 1.00 0.00 H new ATOM 0 HG2 MET A 20 -11.319 -16.253 -7.075 1.00 0.00 H new ATOM 0 HG3 MET A 20 -13.006 -16.698 -6.915 1.00 0.00 H new ATOM 0 HE1 MET A 20 -11.017 -13.641 -9.516 1.00 0.00 H new ATOM 0 HE2 MET A 20 -10.324 -14.862 -8.422 1.00 0.00 H new ATOM 0 HE3 MET A 20 -10.720 -15.294 -10.102 1.00 0.00 H new ATOM 258 N ASN A 21 -11.584 -11.649 -5.130 1.00 0.00 N ATOM 259 CA ASN A 21 -11.848 -10.544 -4.216 1.00 0.00 C ATOM 260 C ASN A 21 -10.696 -10.364 -3.233 1.00 0.00 C ATOM 261 O ASN A 21 -10.893 -9.919 -2.102 1.00 0.00 O ATOM 262 CB ASN A 21 -13.152 -10.786 -3.453 1.00 0.00 C ATOM 263 CG ASN A 21 -14.246 -11.345 -4.340 1.00 0.00 C ATOM 264 OD1 ASN A 21 -14.132 -12.455 -4.861 1.00 0.00 O ATOM 265 ND2 ASN A 21 -15.315 -10.577 -4.517 1.00 0.00 N ATOM 0 H ASN A 21 -11.436 -11.368 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.944 -9.632 -4.806 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.966 -11.477 -2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.490 -9.849 -3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.084 -10.900 -5.104 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.367 -9.664 -4.066 1.00 0.00 H new ATOM 272 N THR A 22 -9.490 -10.713 -3.672 1.00 0.00 N ATOM 273 CA THR A 22 -8.306 -10.591 -2.832 1.00 0.00 C ATOM 274 C THR A 22 -7.118 -10.064 -3.629 1.00 0.00 C ATOM 275 O THR A 22 -6.817 -10.560 -4.714 1.00 0.00 O ATOM 276 CB THR A 22 -7.925 -11.943 -2.198 1.00 0.00 C ATOM 277 OG1 THR A 22 -7.233 -12.754 -3.154 1.00 0.00 O ATOM 278 CG2 THR A 22 -9.162 -12.677 -1.704 1.00 0.00 C ATOM 0 H THR A 22 -9.308 -11.083 -4.605 1.00 0.00 H new ATOM 0 HA THR A 22 -8.552 -9.883 -2.041 1.00 0.00 H new ATOM 0 HB THR A 22 -7.273 -11.749 -1.346 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.406 -13.096 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.868 -13.628 -1.261 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.671 -12.070 -0.955 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.835 -12.860 -2.541 1.00 0.00 H new ATOM 286 N ALA A 23 -6.446 -9.056 -3.082 1.00 0.00 N ATOM 287 CA ALA A 23 -5.289 -8.463 -3.742 1.00 0.00 C ATOM 288 C ALA A 23 -4.017 -8.693 -2.932 1.00 0.00 C ATOM 289 O ALA A 23 -3.896 -8.222 -1.800 1.00 0.00 O ATOM 290 CB ALA A 23 -5.513 -6.975 -3.964 1.00 0.00 C ATOM 0 H ALA A 23 -6.683 -8.633 -2.184 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.165 -8.949 -4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.641 -6.545 -4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.393 -6.829 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.665 -6.483 -3.004 1.00 0.00 H new ATOM 296 N LEU A 24 -3.072 -9.421 -3.517 1.00 0.00 N ATOM 297 CA LEU A 24 -1.809 -9.714 -2.848 1.00 0.00 C ATOM 298 C LEU A 24 -0.883 -8.503 -2.879 1.00 0.00 C ATOM 299 O LEU A 24 -0.734 -7.847 -3.911 1.00 0.00 O ATOM 300 CB LEU A 24 -1.125 -10.910 -3.512 1.00 0.00 C ATOM 301 CG LEU A 24 -0.166 -11.710 -2.628 1.00 0.00 C ATOM 302 CD1 LEU A 24 0.865 -10.790 -1.992 1.00 0.00 C ATOM 303 CD2 LEU A 24 -0.935 -12.472 -1.560 1.00 0.00 C ATOM 0 H LEU A 24 -3.156 -9.819 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.024 -9.957 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.897 -11.586 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.573 -10.551 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 24 0.358 -12.432 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.539 -11.376 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.438 -10.290 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.358 -10.044 -1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.237 -13.035 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.486 -11.768 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.634 -13.160 -2.036 1.00 0.00 H new ATOM 315 N LEU A 25 -0.260 -8.212 -1.742 1.00 0.00 N ATOM 316 CA LEU A 25 0.655 -7.080 -1.638 1.00 0.00 C ATOM 317 C LEU A 25 2.085 -7.556 -1.405 1.00 0.00 C ATOM 318 O LEU A 25 2.357 -8.292 -0.457 1.00 0.00 O ATOM 319 CB LEU A 25 0.222 -6.152 -0.501 1.00 0.00 C ATOM 320 CG LEU A 25 -1.227 -5.667 -0.546 1.00 0.00 C ATOM 321 CD1 LEU A 25 -1.624 -5.047 0.785 1.00 0.00 C ATOM 322 CD2 LEU A 25 -1.420 -4.669 -1.679 1.00 0.00 C ATOM 0 H LEU A 25 -0.372 -8.744 -0.879 1.00 0.00 H new ATOM 0 HA LEU A 25 0.623 -6.531 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.382 -6.670 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.876 -5.280 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.872 -6.526 -0.730 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.659 -4.708 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.524 -5.790 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.974 -4.199 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.457 -4.334 -1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.765 -3.812 -1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.177 -5.145 -2.629 1.00 0.00 H new ATOM 334 N GLN A 26 2.994 -7.129 -2.276 1.00 0.00 N ATOM 335 CA GLN A 26 4.397 -7.510 -2.163 1.00 0.00 C ATOM 336 C GLN A 26 5.309 -6.363 -2.586 1.00 0.00 C ATOM 337 O GLN A 26 5.299 -5.944 -3.743 1.00 0.00 O ATOM 338 CB GLN A 26 4.682 -8.746 -3.019 1.00 0.00 C ATOM 339 CG GLN A 26 3.702 -9.885 -2.789 1.00 0.00 C ATOM 340 CD GLN A 26 4.322 -11.246 -3.033 1.00 0.00 C ATOM 341 OE1 GLN A 26 4.514 -11.657 -4.178 1.00 0.00 O ATOM 342 NE2 GLN A 26 4.638 -11.955 -1.956 1.00 0.00 N ATOM 0 H GLN A 26 2.784 -6.520 -3.067 1.00 0.00 H new ATOM 0 HA GLN A 26 4.600 -7.745 -1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.656 -8.463 -4.071 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.692 -9.098 -2.808 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.330 -9.838 -1.766 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.842 -9.758 -3.447 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.461 -11.576 -1.026 1.00 0.00 H new ATOM 0 HE22 GLN A 26 5.057 -12.879 -2.059 1.00 0.00 H new ATOM 351 N TRP A 27 6.094 -5.860 -1.641 1.00 0.00 N ATOM 352 CA TRP A 27 7.012 -4.760 -1.916 1.00 0.00 C ATOM 353 C TRP A 27 8.410 -5.075 -1.395 1.00 0.00 C ATOM 354 O TRP A 27 8.610 -6.057 -0.680 1.00 0.00 O ATOM 355 CB TRP A 27 6.497 -3.468 -1.280 1.00 0.00 C ATOM 356 CG TRP A 27 6.328 -3.563 0.206 1.00 0.00 C ATOM 357 CD1 TRP A 27 7.290 -3.367 1.155 1.00 0.00 C ATOM 358 CD2 TRP A 27 5.124 -3.881 0.913 1.00 0.00 C ATOM 359 NE1 TRP A 27 6.757 -3.543 2.409 1.00 0.00 N ATOM 360 CE2 TRP A 27 5.429 -3.858 2.288 1.00 0.00 C ATOM 361 CE3 TRP A 27 3.817 -4.180 0.518 1.00 0.00 C ATOM 362 CZ2 TRP A 27 4.476 -4.125 3.267 1.00 0.00 C ATOM 363 CZ3 TRP A 27 2.871 -4.444 1.491 1.00 0.00 C ATOM 364 CH2 TRP A 27 3.204 -4.414 2.852 1.00 0.00 C ATOM 0 H TRP A 27 6.114 -6.196 -0.678 1.00 0.00 H new ATOM 0 HA TRP A 27 7.068 -4.628 -2.996 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.190 -2.658 -1.508 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.540 -3.206 -1.731 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.319 -3.111 0.950 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.267 -3.454 3.288 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.551 -4.204 -0.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.731 -4.105 4.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.858 -4.677 1.197 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.442 -4.623 3.588 1.00 0.00 H new ATOM 375 N HIS A 28 9.375 -4.236 -1.758 1.00 0.00 N ATOM 376 CA HIS A 28 10.755 -4.425 -1.327 1.00 0.00 C ATOM 377 C HIS A 28 11.375 -3.100 -0.891 1.00 0.00 C ATOM 378 O HIS A 28 10.926 -2.021 -1.277 1.00 0.00 O ATOM 379 CB HIS A 28 11.584 -5.042 -2.453 1.00 0.00 C ATOM 380 CG HIS A 28 11.422 -6.527 -2.572 1.00 0.00 C ATOM 381 ND1 HIS A 28 12.152 -7.426 -1.824 1.00 0.00 N ATOM 382 CD2 HIS A 28 10.606 -7.268 -3.357 1.00 0.00 C ATOM 383 CE1 HIS A 28 11.793 -8.656 -2.144 1.00 0.00 C ATOM 384 NE2 HIS A 28 10.856 -8.588 -3.072 1.00 0.00 N ATOM 0 H HIS A 28 9.226 -3.419 -2.350 1.00 0.00 H new ATOM 0 HA HIS A 28 10.753 -5.104 -0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.302 -4.577 -3.398 1.00 0.00 H new ATOM 0 HB3 HIS A 28 12.636 -4.812 -2.286 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.891 -6.892 -4.074 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.197 -9.563 -1.719 1.00 0.00 H new ATOM 0 HE2 HIS A 28 10.393 -9.386 -3.507 1.00 0.00 H new ATOM 393 N PRO A 29 12.430 -3.183 -0.066 1.00 0.00 N ATOM 394 CA PRO A 29 13.133 -2.000 0.440 1.00 0.00 C ATOM 395 C PRO A 29 13.918 -1.281 -0.651 1.00 0.00 C ATOM 396 O PRO A 29 14.619 -1.897 -1.454 1.00 0.00 O ATOM 397 CB PRO A 29 14.084 -2.577 1.492 1.00 0.00 C ATOM 398 CG PRO A 29 14.305 -3.988 1.070 1.00 0.00 C ATOM 399 CD PRO A 29 13.018 -4.437 0.434 1.00 0.00 C ATOM 0 HA PRO A 29 12.444 -1.252 0.832 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.022 -2.022 1.525 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.648 -2.526 2.490 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.134 -4.059 0.366 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.558 -4.616 1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.195 -5.148 -0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.364 -4.929 1.154 1.00 0.00 H new ATOM 407 N PRO A 30 13.799 0.055 -0.684 1.00 0.00 N ATOM 408 CA PRO A 30 14.492 0.887 -1.672 1.00 0.00 C ATOM 409 C PRO A 30 15.999 0.928 -1.442 1.00 0.00 C ATOM 410 O PRO A 30 16.496 0.438 -0.428 1.00 0.00 O ATOM 411 CB PRO A 30 13.880 2.274 -1.459 1.00 0.00 C ATOM 412 CG PRO A 30 13.410 2.268 -0.045 1.00 0.00 C ATOM 413 CD PRO A 30 12.981 0.856 0.242 1.00 0.00 C ATOM 0 HA PRO A 30 14.370 0.503 -2.685 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.615 3.061 -1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.056 2.453 -2.149 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.205 2.580 0.632 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.582 2.963 0.094 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.167 0.583 1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.915 0.715 0.061 1.00 0.00 H new ATOM 421 N LYS A 31 16.721 1.517 -2.388 1.00 0.00 N ATOM 422 CA LYS A 31 18.172 1.624 -2.288 1.00 0.00 C ATOM 423 C LYS A 31 18.587 3.034 -1.880 1.00 0.00 C ATOM 424 O LYS A 31 19.608 3.223 -1.220 1.00 0.00 O ATOM 425 CB LYS A 31 18.825 1.255 -3.623 1.00 0.00 C ATOM 426 CG LYS A 31 18.452 2.190 -4.761 1.00 0.00 C ATOM 427 CD LYS A 31 18.448 1.467 -6.097 1.00 0.00 C ATOM 428 CE LYS A 31 17.529 2.151 -7.098 1.00 0.00 C ATOM 429 NZ LYS A 31 16.104 1.775 -6.888 1.00 0.00 N ATOM 0 H LYS A 31 16.325 1.928 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 31 18.510 0.928 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.908 1.258 -3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 31 18.537 0.238 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 31 17.467 2.617 -4.574 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.158 3.020 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 31 19.462 1.433 -6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.127 0.435 -5.953 1.00 0.00 H new ATOM 0 HE2 LYS A 31 17.636 3.232 -7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 31 17.830 1.882 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.510 2.261 -7.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.997 0.746 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.809 2.054 -5.931 1.00 0.00 H new ATOM 443 N GLU A 32 17.787 4.019 -2.276 1.00 0.00 N ATOM 444 CA GLU A 32 18.072 5.412 -1.950 1.00 0.00 C ATOM 445 C GLU A 32 17.570 5.756 -0.551 1.00 0.00 C ATOM 446 O GLU A 32 17.075 6.858 -0.311 1.00 0.00 O ATOM 447 CB GLU A 32 17.426 6.342 -2.979 1.00 0.00 C ATOM 448 CG GLU A 32 17.893 6.092 -4.403 1.00 0.00 C ATOM 449 CD GLU A 32 17.806 7.332 -5.272 1.00 0.00 C ATOM 450 OE1 GLU A 32 18.781 8.111 -5.294 1.00 0.00 O ATOM 451 OE2 GLU A 32 16.762 7.522 -5.931 1.00 0.00 O ATOM 0 H GLU A 32 16.937 3.879 -2.822 1.00 0.00 H new ATOM 0 HA GLU A 32 19.153 5.551 -1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 32 16.343 6.223 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.645 7.375 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 32 18.923 5.736 -4.386 1.00 0.00 H new ATOM 0 HG3 GLU A 32 17.289 5.300 -4.846 1.00 0.00 H new ATOM 458 N LEU A 33 17.701 4.807 0.368 1.00 0.00 N ATOM 459 CA LEU A 33 17.260 5.008 1.745 1.00 0.00 C ATOM 460 C LEU A 33 18.442 5.336 2.652 1.00 0.00 C ATOM 461 O LEU A 33 19.264 4.478 2.975 1.00 0.00 O ATOM 462 CB LEU A 33 16.539 3.761 2.258 1.00 0.00 C ATOM 463 CG LEU A 33 16.078 3.804 3.715 1.00 0.00 C ATOM 464 CD1 LEU A 33 14.824 2.965 3.904 1.00 0.00 C ATOM 465 CD2 LEU A 33 17.188 3.323 4.639 1.00 0.00 C ATOM 0 H LEU A 33 18.109 3.890 0.186 1.00 0.00 H new ATOM 0 HA LEU A 33 16.569 5.851 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.668 3.584 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.202 2.905 2.133 1.00 0.00 H new ATOM 0 HG LEU A 33 15.840 4.837 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.511 3.008 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.027 3.354 3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 33 15.033 1.931 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.843 3.360 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.456 2.298 4.383 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.061 3.966 4.525 1.00 0.00 H new ATOM 477 N PRO A 34 18.529 6.605 3.075 1.00 0.00 N ATOM 478 CA PRO A 34 19.605 7.075 3.953 1.00 0.00 C ATOM 479 C PRO A 34 19.489 6.509 5.365 1.00 0.00 C ATOM 480 O PRO A 34 18.735 7.023 6.190 1.00 0.00 O ATOM 481 CB PRO A 34 19.413 8.593 3.968 1.00 0.00 C ATOM 482 CG PRO A 34 17.970 8.796 3.660 1.00 0.00 C ATOM 483 CD PRO A 34 17.585 7.681 2.729 1.00 0.00 C ATOM 0 HA PRO A 34 20.587 6.760 3.600 1.00 0.00 H new ATOM 0 HB2 PRO A 34 19.674 9.015 4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.048 9.080 3.228 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.369 8.770 4.569 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.803 9.768 3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 34 16.551 7.372 2.879 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.680 7.979 1.685 1.00 0.00 H new ATOM 491 N GLY A 35 20.242 5.447 5.636 1.00 0.00 N ATOM 492 CA GLY A 35 20.209 4.830 6.949 1.00 0.00 C ATOM 493 C GLY A 35 19.943 3.340 6.882 1.00 0.00 C ATOM 494 O GLY A 35 20.684 2.599 6.238 1.00 0.00 O ATOM 0 H GLY A 35 20.874 5.003 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.160 5.004 7.453 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.437 5.307 7.552 1.00 0.00 H new ATOM 498 N GLU A 36 18.882 2.899 7.552 1.00 0.00 N ATOM 499 CA GLU A 36 18.523 1.485 7.568 1.00 0.00 C ATOM 500 C GLU A 36 17.011 1.310 7.675 1.00 0.00 C ATOM 501 O GLU A 36 16.341 2.031 8.416 1.00 0.00 O ATOM 502 CB GLU A 36 19.214 0.773 8.733 1.00 0.00 C ATOM 503 CG GLU A 36 18.691 1.191 10.097 1.00 0.00 C ATOM 504 CD GLU A 36 19.748 1.094 11.181 1.00 0.00 C ATOM 505 OE1 GLU A 36 20.866 1.607 10.966 1.00 0.00 O ATOM 506 OE2 GLU A 36 19.457 0.506 12.243 1.00 0.00 O ATOM 0 H GLU A 36 18.257 3.499 8.090 1.00 0.00 H new ATOM 0 HA GLU A 36 18.858 1.040 6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 36 19.085 -0.303 8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 36 20.285 0.973 8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.324 2.216 10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.842 0.562 10.365 1.00 0.00 H new ATOM 513 N LEU A 37 16.479 0.348 6.929 1.00 0.00 N ATOM 514 CA LEU A 37 15.046 0.076 6.938 1.00 0.00 C ATOM 515 C LEU A 37 14.572 -0.300 8.338 1.00 0.00 C ATOM 516 O LEU A 37 15.128 -1.196 8.974 1.00 0.00 O ATOM 517 CB LEU A 37 14.713 -1.048 5.956 1.00 0.00 C ATOM 518 CG LEU A 37 13.233 -1.226 5.615 1.00 0.00 C ATOM 519 CD1 LEU A 37 12.805 -0.224 4.554 1.00 0.00 C ATOM 520 CD2 LEU A 37 12.960 -2.648 5.149 1.00 0.00 C ATOM 0 H LEU A 37 17.019 -0.257 6.310 1.00 0.00 H new ATOM 0 HA LEU A 37 14.528 0.984 6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.259 -0.868 5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.085 -1.986 6.369 1.00 0.00 H new ATOM 0 HG LEU A 37 12.648 -1.042 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.749 -0.366 4.324 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.963 0.789 4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.396 -0.376 3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.902 -2.756 4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.555 -2.861 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.227 -3.348 5.941 1.00 0.00 H new ATOM 532 N LEU A 38 13.540 0.389 8.813 1.00 0.00 N ATOM 533 CA LEU A 38 12.989 0.126 10.138 1.00 0.00 C ATOM 534 C LEU A 38 11.501 -0.200 10.053 1.00 0.00 C ATOM 535 O LEU A 38 10.975 -0.960 10.866 1.00 0.00 O ATOM 536 CB LEU A 38 13.207 1.333 11.051 1.00 0.00 C ATOM 537 CG LEU A 38 14.656 1.789 11.227 1.00 0.00 C ATOM 538 CD1 LEU A 38 14.708 3.170 11.861 1.00 0.00 C ATOM 539 CD2 LEU A 38 15.433 0.785 12.066 1.00 0.00 C ATOM 0 H LEU A 38 13.068 1.134 8.300 1.00 0.00 H new ATOM 0 HA LEU A 38 13.508 -0.736 10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.629 2.170 10.658 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.799 1.098 12.034 1.00 0.00 H new ATOM 0 HG LEU A 38 15.121 1.846 10.243 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.747 3.478 11.978 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.188 3.884 11.222 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.226 3.140 12.838 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.462 1.126 12.181 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.969 0.695 13.048 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.426 -0.186 11.571 1.00 0.00 H new ATOM 551 N GLY A 39 10.828 0.378 9.063 1.00 0.00 N ATOM 552 CA GLY A 39 9.408 0.135 8.889 1.00 0.00 C ATOM 553 C GLY A 39 8.823 0.918 7.731 1.00 0.00 C ATOM 554 O GLY A 39 9.537 1.649 7.043 1.00 0.00 O ATOM 0 H GLY A 39 11.241 1.011 8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.242 -0.930 8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.882 0.401 9.806 1.00 0.00 H new ATOM 558 N TYR A 40 7.522 0.765 7.512 1.00 0.00 N ATOM 559 CA TYR A 40 6.842 1.461 6.426 1.00 0.00 C ATOM 560 C TYR A 40 5.330 1.436 6.626 1.00 0.00 C ATOM 561 O TYR A 40 4.785 0.501 7.213 1.00 0.00 O ATOM 562 CB TYR A 40 7.201 0.825 5.082 1.00 0.00 C ATOM 563 CG TYR A 40 7.613 -0.626 5.189 1.00 0.00 C ATOM 564 CD1 TYR A 40 6.908 -1.511 5.996 1.00 0.00 C ATOM 565 CD2 TYR A 40 8.707 -1.112 4.485 1.00 0.00 C ATOM 566 CE1 TYR A 40 7.281 -2.837 6.098 1.00 0.00 C ATOM 567 CE2 TYR A 40 9.087 -2.437 4.579 1.00 0.00 C ATOM 568 CZ TYR A 40 8.371 -3.295 5.387 1.00 0.00 C ATOM 569 OH TYR A 40 8.747 -4.615 5.485 1.00 0.00 O ATOM 0 H TYR A 40 6.917 0.165 8.072 1.00 0.00 H new ATOM 0 HA TYR A 40 7.173 2.499 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.344 0.902 4.413 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.013 1.392 4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.054 -1.156 6.553 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.271 -0.442 3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.723 -3.511 6.731 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.939 -2.799 4.023 1.00 0.00 H new ATOM 0 HH TYR A 40 9.725 -4.679 5.468 1.00 0.00 H new ATOM 579 N ARG A 41 4.658 2.472 6.133 1.00 0.00 N ATOM 580 CA ARG A 41 3.209 2.571 6.257 1.00 0.00 C ATOM 581 C ARG A 41 2.528 2.291 4.920 1.00 0.00 C ATOM 582 O ARG A 41 3.041 2.657 3.861 1.00 0.00 O ATOM 583 CB ARG A 41 2.813 3.959 6.762 1.00 0.00 C ATOM 584 CG ARG A 41 1.317 4.225 6.704 1.00 0.00 C ATOM 585 CD ARG A 41 1.020 5.710 6.566 1.00 0.00 C ATOM 586 NE ARG A 41 1.121 6.163 5.182 1.00 0.00 N ATOM 587 CZ ARG A 41 0.880 7.411 4.797 1.00 0.00 C ATOM 588 NH1 ARG A 41 0.526 8.326 5.689 1.00 0.00 N ATOM 589 NH2 ARG A 41 0.993 7.746 3.518 1.00 0.00 N ATOM 0 H ARG A 41 5.094 3.254 5.644 1.00 0.00 H new ATOM 0 HA ARG A 41 2.879 1.822 6.977 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.154 4.073 7.791 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.331 4.713 6.169 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.883 3.686 5.862 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.843 3.840 7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.018 5.915 6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.715 6.278 7.185 1.00 0.00 H new ATOM 0 HE ARG A 41 1.392 5.483 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.438 8.072 6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.341 9.284 5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.265 7.045 2.829 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.808 8.705 3.224 1.00 0.00 H new ATOM 603 N LEU A 42 1.372 1.640 4.976 1.00 0.00 N ATOM 604 CA LEU A 42 0.620 1.310 3.769 1.00 0.00 C ATOM 605 C LEU A 42 -0.701 2.071 3.726 1.00 0.00 C ATOM 606 O LEU A 42 -1.445 2.096 4.706 1.00 0.00 O ATOM 607 CB LEU A 42 0.358 -0.195 3.703 1.00 0.00 C ATOM 608 CG LEU A 42 0.202 -0.789 2.303 1.00 0.00 C ATOM 609 CD1 LEU A 42 -0.229 -2.245 2.385 1.00 0.00 C ATOM 610 CD2 LEU A 42 -0.798 0.020 1.490 1.00 0.00 C ATOM 0 H LEU A 42 0.934 1.330 5.844 1.00 0.00 H new ATOM 0 HA LEU A 42 1.217 1.606 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.178 -0.709 4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.547 -0.411 4.270 1.00 0.00 H new ATOM 0 HG LEU A 42 1.169 -0.746 1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.335 -2.650 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.523 -2.817 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.184 -2.313 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.897 -0.417 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.767 0.009 1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.448 1.048 1.401 1.00 0.00 H new ATOM 622 N GLN A 43 -0.987 2.686 2.583 1.00 0.00 N ATOM 623 CA GLN A 43 -2.220 3.446 2.413 1.00 0.00 C ATOM 624 C GLN A 43 -2.906 3.082 1.100 1.00 0.00 C ATOM 625 O GLN A 43 -2.358 3.304 0.019 1.00 0.00 O ATOM 626 CB GLN A 43 -1.929 4.947 2.451 1.00 0.00 C ATOM 627 CG GLN A 43 -1.740 5.494 3.857 1.00 0.00 C ATOM 628 CD GLN A 43 -3.043 5.939 4.490 1.00 0.00 C ATOM 629 OE1 GLN A 43 -4.029 5.201 4.493 1.00 0.00 O ATOM 630 NE2 GLN A 43 -3.055 7.152 5.031 1.00 0.00 N ATOM 0 H GLN A 43 -0.382 2.673 1.762 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.890 3.193 3.235 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.031 5.150 1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.749 5.480 1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.280 4.728 4.482 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.050 6.337 3.825 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.215 7.730 5.006 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.904 7.506 5.472 1.00 0.00 H new ATOM 639 N TYR A 44 -4.106 2.523 1.200 1.00 0.00 N ATOM 640 CA TYR A 44 -4.866 2.126 0.021 1.00 0.00 C ATOM 641 C TYR A 44 -6.360 2.348 0.234 1.00 0.00 C ATOM 642 O TYR A 44 -6.897 2.046 1.300 1.00 0.00 O ATOM 643 CB TYR A 44 -4.600 0.657 -0.313 1.00 0.00 C ATOM 644 CG TYR A 44 -5.147 -0.306 0.717 1.00 0.00 C ATOM 645 CD1 TYR A 44 -6.501 -0.616 0.756 1.00 0.00 C ATOM 646 CD2 TYR A 44 -4.311 -0.905 1.651 1.00 0.00 C ATOM 647 CE1 TYR A 44 -7.006 -1.495 1.695 1.00 0.00 C ATOM 648 CE2 TYR A 44 -4.806 -1.786 2.592 1.00 0.00 C ATOM 649 CZ TYR A 44 -6.154 -2.078 2.610 1.00 0.00 C ATOM 650 OH TYR A 44 -6.652 -2.953 3.548 1.00 0.00 O ATOM 0 H TYR A 44 -4.574 2.334 2.086 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.541 2.746 -0.814 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.041 0.428 -1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -3.525 0.503 -0.407 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.170 -0.162 0.040 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.255 -0.678 1.641 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.061 -1.724 1.712 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.142 -2.244 3.310 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.921 -3.275 4.116 1.00 0.00 H new ATOM 660 N CYS A 45 -7.024 2.878 -0.787 1.00 0.00 N ATOM 661 CA CYS A 45 -8.457 3.142 -0.712 1.00 0.00 C ATOM 662 C CYS A 45 -9.090 3.099 -2.099 1.00 0.00 C ATOM 663 O CYS A 45 -8.390 3.077 -3.112 1.00 0.00 O ATOM 664 CB CYS A 45 -8.713 4.502 -0.063 1.00 0.00 C ATOM 665 SG CYS A 45 -7.667 5.833 -0.700 1.00 0.00 S ATOM 0 H CYS A 45 -6.594 3.133 -1.676 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.914 2.364 -0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.758 4.773 -0.212 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.557 4.415 1.012 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.960 6.944 -0.091 1.00 0.00 H new ATOM 671 N ARG A 46 -10.419 3.085 -2.137 1.00 0.00 N ATOM 672 CA ARG A 46 -11.147 3.042 -3.399 1.00 0.00 C ATOM 673 C ARG A 46 -10.876 4.295 -4.226 1.00 0.00 C ATOM 674 O ARG A 46 -10.409 5.307 -3.703 1.00 0.00 O ATOM 675 CB ARG A 46 -12.648 2.902 -3.142 1.00 0.00 C ATOM 676 CG ARG A 46 -13.101 1.464 -2.947 1.00 0.00 C ATOM 677 CD ARG A 46 -14.602 1.321 -3.147 1.00 0.00 C ATOM 678 NE ARG A 46 -15.161 0.241 -2.339 1.00 0.00 N ATOM 679 CZ ARG A 46 -15.298 0.306 -1.019 1.00 0.00 C ATOM 680 NH1 ARG A 46 -14.919 1.394 -0.363 1.00 0.00 N ATOM 681 NH2 ARG A 46 -15.816 -0.718 -0.353 1.00 0.00 N ATOM 0 H ARG A 46 -11.013 3.103 -1.308 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.799 2.175 -3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.912 3.480 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.194 3.335 -3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.576 0.817 -3.650 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.833 1.130 -1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.093 2.259 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.811 1.132 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.463 -0.610 -2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.521 2.184 -0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.025 1.441 0.650 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.110 -1.556 -0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.921 -0.667 0.660 1.00 0.00 H new ATOM 695 N ALA A 47 -11.172 4.220 -5.520 1.00 0.00 N ATOM 696 CA ALA A 47 -10.962 5.348 -6.418 1.00 0.00 C ATOM 697 C ALA A 47 -11.988 6.448 -6.167 1.00 0.00 C ATOM 698 O ALA A 47 -11.991 7.474 -6.847 1.00 0.00 O ATOM 699 CB ALA A 47 -11.023 4.887 -7.867 1.00 0.00 C ATOM 0 H ALA A 47 -11.558 3.389 -5.969 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.972 5.759 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.865 5.740 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.248 4.142 -8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.001 4.449 -8.069 1.00 0.00 H new ATOM 705 N ASP A 48 -12.858 6.227 -5.188 1.00 0.00 N ATOM 706 CA ASP A 48 -13.890 7.200 -4.847 1.00 0.00 C ATOM 707 C ASP A 48 -13.835 7.552 -3.364 1.00 0.00 C ATOM 708 O ASP A 48 -14.798 8.076 -2.805 1.00 0.00 O ATOM 709 CB ASP A 48 -15.273 6.654 -5.204 1.00 0.00 C ATOM 710 CG ASP A 48 -15.690 7.011 -6.617 1.00 0.00 C ATOM 711 OD1 ASP A 48 -15.681 8.214 -6.952 1.00 0.00 O ATOM 712 OD2 ASP A 48 -16.025 6.088 -7.388 1.00 0.00 O ATOM 0 H ASP A 48 -12.870 5.382 -4.616 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.706 8.106 -5.424 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.272 5.570 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -16.008 7.047 -4.501 1.00 0.00 H new ATOM 717 N GLU A 49 -12.702 7.260 -2.733 1.00 0.00 N ATOM 718 CA GLU A 49 -12.524 7.545 -1.314 1.00 0.00 C ATOM 719 C GLU A 49 -11.781 8.863 -1.113 1.00 0.00 C ATOM 720 O GLU A 49 -11.110 9.354 -2.020 1.00 0.00 O ATOM 721 CB GLU A 49 -11.758 6.407 -0.635 1.00 0.00 C ATOM 722 CG GLU A 49 -12.657 5.315 -0.080 1.00 0.00 C ATOM 723 CD GLU A 49 -13.602 5.825 0.991 1.00 0.00 C ATOM 724 OE1 GLU A 49 -13.525 7.024 1.329 1.00 0.00 O ATOM 725 OE2 GLU A 49 -14.418 5.023 1.492 1.00 0.00 O ATOM 0 H GLU A 49 -11.895 6.827 -3.181 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.511 7.631 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.066 5.967 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.157 6.818 0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.237 4.879 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.040 4.518 0.335 1.00 0.00 H new ATOM 732 N ALA A 50 -11.908 9.430 0.082 1.00 0.00 N ATOM 733 CA ALA A 50 -11.249 10.690 0.404 1.00 0.00 C ATOM 734 C ALA A 50 -10.174 10.491 1.467 1.00 0.00 C ATOM 735 O ALA A 50 -9.286 11.329 1.630 1.00 0.00 O ATOM 736 CB ALA A 50 -12.270 11.717 0.869 1.00 0.00 C ATOM 0 H ALA A 50 -12.461 9.037 0.843 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.765 11.059 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.763 12.652 1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.999 11.890 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.781 11.346 1.758 1.00 0.00 H new ATOM 742 N ARG A 51 -10.260 9.379 2.189 1.00 0.00 N ATOM 743 CA ARG A 51 -9.296 9.072 3.238 1.00 0.00 C ATOM 744 C ARG A 51 -8.737 7.662 3.067 1.00 0.00 C ATOM 745 O ARG A 51 -9.454 6.667 3.169 1.00 0.00 O ATOM 746 CB ARG A 51 -9.947 9.210 4.615 1.00 0.00 C ATOM 747 CG ARG A 51 -9.895 10.622 5.175 1.00 0.00 C ATOM 748 CD ARG A 51 -10.410 10.674 6.605 1.00 0.00 C ATOM 749 NE ARG A 51 -10.220 11.991 7.207 1.00 0.00 N ATOM 750 CZ ARG A 51 -11.025 13.024 6.983 1.00 0.00 C ATOM 751 NH1 ARG A 51 -12.068 12.893 6.175 1.00 0.00 N ATOM 752 NH2 ARG A 51 -10.787 14.191 7.568 1.00 0.00 N ATOM 0 H ARG A 51 -10.988 8.675 2.066 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.473 9.783 3.160 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.988 8.893 4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.451 8.534 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.869 10.990 5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.491 11.285 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.470 10.419 6.618 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.894 9.924 7.204 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.426 12.125 7.833 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -12.254 11.997 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.684 13.688 6.005 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.986 14.296 8.190 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.406 14.984 7.395 1.00 0.00 H new ATOM 766 N PRO A 52 -7.425 7.574 2.800 1.00 0.00 N ATOM 767 CA PRO A 52 -6.741 6.292 2.609 1.00 0.00 C ATOM 768 C PRO A 52 -6.631 5.495 3.904 1.00 0.00 C ATOM 769 O PRO A 52 -6.405 6.059 4.974 1.00 0.00 O ATOM 770 CB PRO A 52 -5.351 6.701 2.114 1.00 0.00 C ATOM 771 CG PRO A 52 -5.149 8.077 2.648 1.00 0.00 C ATOM 772 CD PRO A 52 -6.509 8.719 2.665 1.00 0.00 C ATOM 0 HA PRO A 52 -7.280 5.642 1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.584 6.018 2.479 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.298 6.687 1.025 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.719 8.048 3.649 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.459 8.641 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.613 9.417 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.700 9.281 1.750 1.00 0.00 H new ATOM 780 N ASN A 53 -6.791 4.180 3.800 1.00 0.00 N ATOM 781 CA ASN A 53 -6.709 3.305 4.964 1.00 0.00 C ATOM 782 C ASN A 53 -5.266 3.161 5.437 1.00 0.00 C ATOM 783 O ASN A 53 -4.490 2.389 4.873 1.00 0.00 O ATOM 784 CB ASN A 53 -7.290 1.928 4.635 1.00 0.00 C ATOM 785 CG ASN A 53 -8.803 1.945 4.544 1.00 0.00 C ATOM 786 OD1 ASN A 53 -9.498 1.821 5.553 1.00 0.00 O ATOM 787 ND2 ASN A 53 -9.321 2.099 3.331 1.00 0.00 N ATOM 0 H ASN A 53 -6.978 3.697 2.922 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.292 3.756 5.767 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.876 1.579 3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.983 1.215 5.400 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.333 2.118 3.207 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.707 2.198 2.523 1.00 0.00 H new ATOM 794 N THR A 54 -4.912 3.910 6.477 1.00 0.00 N ATOM 795 CA THR A 54 -3.562 3.867 7.025 1.00 0.00 C ATOM 796 C THR A 54 -3.292 2.537 7.718 1.00 0.00 C ATOM 797 O THR A 54 -4.123 2.044 8.482 1.00 0.00 O ATOM 798 CB THR A 54 -3.327 5.012 8.029 1.00 0.00 C ATOM 799 OG1 THR A 54 -3.750 6.257 7.460 1.00 0.00 O ATOM 800 CG2 THR A 54 -1.859 5.099 8.417 1.00 0.00 C ATOM 0 H THR A 54 -5.542 4.554 6.956 1.00 0.00 H new ATOM 0 HA THR A 54 -2.876 3.982 6.185 1.00 0.00 H new ATOM 0 HB THR A 54 -3.912 4.805 8.925 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.598 6.980 8.105 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.718 5.914 9.126 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.548 4.161 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.258 5.284 7.527 1.00 0.00 H new ATOM 808 N ILE A 55 -2.127 1.959 7.446 1.00 0.00 N ATOM 809 CA ILE A 55 -1.748 0.686 8.045 1.00 0.00 C ATOM 810 C ILE A 55 -0.264 0.664 8.396 1.00 0.00 C ATOM 811 O ILE A 55 0.572 1.153 7.636 1.00 0.00 O ATOM 812 CB ILE A 55 -2.059 -0.494 7.104 1.00 0.00 C ATOM 813 CG1 ILE A 55 -3.554 -0.540 6.785 1.00 0.00 C ATOM 814 CG2 ILE A 55 -1.604 -1.804 7.730 1.00 0.00 C ATOM 815 CD1 ILE A 55 -3.907 -1.511 5.681 1.00 0.00 C ATOM 0 H ILE A 55 -1.429 2.352 6.814 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.336 0.578 8.956 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.513 -0.350 6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.101 -0.814 7.687 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.887 0.458 6.500 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.830 -2.628 7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.530 -1.767 7.910 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.126 -1.956 8.675 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.983 -1.491 5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.388 -1.226 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.605 -2.517 5.971 1.00 0.00 H new ATOM 827 N ASP A 56 0.056 0.092 9.551 1.00 0.00 N ATOM 828 CA ASP A 56 1.440 0.002 10.003 1.00 0.00 C ATOM 829 C ASP A 56 2.052 -1.341 9.618 1.00 0.00 C ATOM 830 O ASP A 56 1.391 -2.378 9.683 1.00 0.00 O ATOM 831 CB ASP A 56 1.518 0.196 11.518 1.00 0.00 C ATOM 832 CG ASP A 56 2.945 0.204 12.028 1.00 0.00 C ATOM 833 OD1 ASP A 56 3.679 -0.768 11.753 1.00 0.00 O ATOM 834 OD2 ASP A 56 3.329 1.183 12.702 1.00 0.00 O ATOM 0 H ASP A 56 -0.624 -0.317 10.192 1.00 0.00 H new ATOM 0 HA ASP A 56 2.008 0.793 9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.034 1.135 11.786 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.963 -0.601 12.012 1.00 0.00 H new ATOM 839 N PHE A 57 3.318 -1.315 9.215 1.00 0.00 N ATOM 840 CA PHE A 57 4.019 -2.530 8.816 1.00 0.00 C ATOM 841 C PHE A 57 5.467 -2.504 9.295 1.00 0.00 C ATOM 842 O PHE A 57 6.129 -1.468 9.248 1.00 0.00 O ATOM 843 CB PHE A 57 3.975 -2.694 7.296 1.00 0.00 C ATOM 844 CG PHE A 57 2.660 -3.214 6.787 1.00 0.00 C ATOM 845 CD1 PHE A 57 2.294 -4.533 6.998 1.00 0.00 C ATOM 846 CD2 PHE A 57 1.792 -2.383 6.097 1.00 0.00 C ATOM 847 CE1 PHE A 57 1.085 -5.015 6.531 1.00 0.00 C ATOM 848 CE2 PHE A 57 0.582 -2.859 5.629 1.00 0.00 C ATOM 849 CZ PHE A 57 0.229 -4.176 5.845 1.00 0.00 C ATOM 0 H PHE A 57 3.880 -0.466 9.156 1.00 0.00 H new ATOM 0 HA PHE A 57 3.517 -3.379 9.280 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.181 -1.731 6.829 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.769 -3.374 6.989 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.961 -5.193 7.534 1.00 0.00 H new ATOM 0 HD2 PHE A 57 2.064 -1.352 5.923 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.811 -6.045 6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.087 -2.201 5.095 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.715 -4.550 5.478 1.00 0.00 H new ATOM 859 N GLY A 58 5.953 -3.652 9.756 1.00 0.00 N ATOM 860 CA GLY A 58 7.320 -3.740 10.237 1.00 0.00 C ATOM 861 C GLY A 58 8.305 -4.053 9.129 1.00 0.00 C ATOM 862 O GLY A 58 7.954 -4.692 8.137 1.00 0.00 O ATOM 0 H GLY A 58 5.425 -4.523 9.805 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.597 -2.798 10.710 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.383 -4.512 11.004 1.00 0.00 H new ATOM 866 N LYS A 59 9.544 -3.600 9.295 1.00 0.00 N ATOM 867 CA LYS A 59 10.584 -3.834 8.301 1.00 0.00 C ATOM 868 C LYS A 59 10.513 -5.260 7.764 1.00 0.00 C ATOM 869 O LYS A 59 10.944 -5.533 6.644 1.00 0.00 O ATOM 870 CB LYS A 59 11.965 -3.576 8.909 1.00 0.00 C ATOM 871 CG LYS A 59 12.305 -4.502 10.063 1.00 0.00 C ATOM 872 CD LYS A 59 13.717 -4.264 10.572 1.00 0.00 C ATOM 873 CE LYS A 59 14.066 -5.212 11.710 1.00 0.00 C ATOM 874 NZ LYS A 59 14.296 -6.600 11.224 1.00 0.00 N ATOM 0 H LYS A 59 9.852 -3.068 10.109 1.00 0.00 H new ATOM 0 HA LYS A 59 10.422 -3.144 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.721 -3.686 8.132 1.00 0.00 H new ATOM 0 HB3 LYS A 59 12.012 -2.544 9.256 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.594 -4.349 10.875 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.203 -5.538 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.427 -4.397 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 59 13.813 -3.233 10.913 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.960 -4.853 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.259 -5.213 12.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.597 -7.200 12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.415 -6.977 10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.037 -6.594 10.494 1.00 0.00 H new ATOM 888 N ASP A 60 9.964 -6.163 8.568 1.00 0.00 N ATOM 889 CA ASP A 60 9.833 -7.561 8.171 1.00 0.00 C ATOM 890 C ASP A 60 8.647 -7.750 7.231 1.00 0.00 C ATOM 891 O ASP A 60 8.717 -8.523 6.275 1.00 0.00 O ATOM 892 CB ASP A 60 9.669 -8.450 9.405 1.00 0.00 C ATOM 893 CG ASP A 60 9.968 -9.907 9.112 1.00 0.00 C ATOM 894 OD1 ASP A 60 11.092 -10.201 8.654 1.00 0.00 O ATOM 895 OD2 ASP A 60 9.078 -10.753 9.341 1.00 0.00 O ATOM 0 H ASP A 60 9.602 -5.953 9.498 1.00 0.00 H new ATOM 0 HA ASP A 60 10.741 -7.850 7.643 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.333 -8.097 10.194 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.650 -8.360 9.782 1.00 0.00 H new ATOM 900 N ASP A 61 7.558 -7.041 7.510 1.00 0.00 N ATOM 901 CA ASP A 61 6.356 -7.131 6.689 1.00 0.00 C ATOM 902 C ASP A 61 6.609 -6.574 5.292 1.00 0.00 C ATOM 903 O ASP A 61 6.463 -5.375 5.056 1.00 0.00 O ATOM 904 CB ASP A 61 5.203 -6.375 7.352 1.00 0.00 C ATOM 905 CG ASP A 61 4.391 -7.256 8.280 1.00 0.00 C ATOM 906 OD1 ASP A 61 4.966 -7.774 9.260 1.00 0.00 O ATOM 907 OD2 ASP A 61 3.180 -7.429 8.026 1.00 0.00 O ATOM 0 H ASP A 61 7.483 -6.398 8.298 1.00 0.00 H new ATOM 0 HA ASP A 61 6.086 -8.183 6.597 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.602 -5.530 7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.550 -5.965 6.581 1.00 0.00 H new ATOM 912 N GLN A 62 6.991 -7.452 4.371 1.00 0.00 N ATOM 913 CA GLN A 62 7.267 -7.047 2.997 1.00 0.00 C ATOM 914 C GLN A 62 6.074 -7.340 2.094 1.00 0.00 C ATOM 915 O GLN A 62 6.100 -7.047 0.898 1.00 0.00 O ATOM 916 CB GLN A 62 8.509 -7.767 2.470 1.00 0.00 C ATOM 917 CG GLN A 62 9.811 -7.234 3.046 1.00 0.00 C ATOM 918 CD GLN A 62 11.033 -7.893 2.435 1.00 0.00 C ATOM 919 OE1 GLN A 62 11.712 -8.689 3.083 1.00 0.00 O ATOM 920 NE2 GLN A 62 11.318 -7.564 1.180 1.00 0.00 N ATOM 0 H GLN A 62 7.117 -8.448 4.551 1.00 0.00 H new ATOM 0 HA GLN A 62 7.449 -5.972 2.991 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.428 -8.829 2.700 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.538 -7.677 1.384 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.863 -6.158 2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.819 -7.392 4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.727 -6.899 0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.128 -7.976 0.716 1.00 0.00 H new ATOM 929 N HIS A 63 5.027 -7.921 2.673 1.00 0.00 N ATOM 930 CA HIS A 63 3.823 -8.253 1.920 1.00 0.00 C ATOM 931 C HIS A 63 2.614 -8.353 2.844 1.00 0.00 C ATOM 932 O HIS A 63 2.756 -8.564 4.049 1.00 0.00 O ATOM 933 CB HIS A 63 4.015 -9.571 1.167 1.00 0.00 C ATOM 934 CG HIS A 63 4.841 -10.572 1.914 1.00 0.00 C ATOM 935 ND1 HIS A 63 6.106 -10.949 1.517 1.00 0.00 N ATOM 936 CD2 HIS A 63 4.577 -11.275 3.040 1.00 0.00 C ATOM 937 CE1 HIS A 63 6.584 -11.842 2.365 1.00 0.00 C ATOM 938 NE2 HIS A 63 5.675 -12.056 3.300 1.00 0.00 N ATOM 0 H HIS A 63 4.989 -8.171 3.661 1.00 0.00 H new ATOM 0 HA HIS A 63 3.642 -7.454 1.200 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.038 -10.004 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.488 -9.366 0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.670 -11.230 3.625 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.552 -12.316 2.304 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.773 -12.697 4.087 1.00 0.00 H new ATOM 947 N PHE A 64 1.424 -8.199 2.273 1.00 0.00 N ATOM 948 CA PHE A 64 0.190 -8.270 3.046 1.00 0.00 C ATOM 949 C PHE A 64 -0.935 -8.888 2.221 1.00 0.00 C ATOM 950 O PHE A 64 -1.039 -8.652 1.017 1.00 0.00 O ATOM 951 CB PHE A 64 -0.220 -6.874 3.522 1.00 0.00 C ATOM 952 CG PHE A 64 -1.308 -6.889 4.557 1.00 0.00 C ATOM 953 CD1 PHE A 64 -1.077 -7.415 5.818 1.00 0.00 C ATOM 954 CD2 PHE A 64 -2.563 -6.378 4.269 1.00 0.00 C ATOM 955 CE1 PHE A 64 -2.077 -7.431 6.771 1.00 0.00 C ATOM 956 CE2 PHE A 64 -3.567 -6.390 5.219 1.00 0.00 C ATOM 957 CZ PHE A 64 -3.323 -6.917 6.472 1.00 0.00 C ATOM 0 H PHE A 64 1.288 -8.024 1.277 1.00 0.00 H new ATOM 0 HA PHE A 64 0.371 -8.904 3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.654 -6.368 3.932 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.553 -6.290 2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.104 -7.817 6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.759 -5.965 3.290 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.884 -7.845 7.750 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.541 -5.988 4.982 1.00 0.00 H new ATOM 0 HZ PHE A 64 -4.105 -6.927 7.216 1.00 0.00 H new ATOM 967 N THR A 65 -1.775 -9.683 2.877 1.00 0.00 N ATOM 968 CA THR A 65 -2.890 -10.337 2.205 1.00 0.00 C ATOM 969 C THR A 65 -4.194 -9.585 2.446 1.00 0.00 C ATOM 970 O THR A 65 -4.649 -9.459 3.582 1.00 0.00 O ATOM 971 CB THR A 65 -3.055 -11.793 2.679 1.00 0.00 C ATOM 972 OG1 THR A 65 -1.831 -12.512 2.491 1.00 0.00 O ATOM 973 CG2 THR A 65 -4.177 -12.486 1.920 1.00 0.00 C ATOM 0 H THR A 65 -1.704 -9.889 3.873 1.00 0.00 H new ATOM 0 HA THR A 65 -2.663 -10.333 1.139 1.00 0.00 H new ATOM 0 HB THR A 65 -3.309 -11.779 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.944 -13.436 2.797 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.274 -13.513 2.272 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.113 -11.954 2.089 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.948 -12.488 0.854 1.00 0.00 H new ATOM 981 N VAL A 66 -4.792 -9.087 1.368 1.00 0.00 N ATOM 982 CA VAL A 66 -6.046 -8.349 1.462 1.00 0.00 C ATOM 983 C VAL A 66 -7.194 -9.133 0.836 1.00 0.00 C ATOM 984 O VAL A 66 -7.142 -9.501 -0.338 1.00 0.00 O ATOM 985 CB VAL A 66 -5.942 -6.976 0.773 1.00 0.00 C ATOM 986 CG1 VAL A 66 -7.235 -6.193 0.943 1.00 0.00 C ATOM 987 CG2 VAL A 66 -4.759 -6.193 1.323 1.00 0.00 C ATOM 0 H VAL A 66 -4.428 -9.181 0.420 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.247 -8.201 2.523 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.780 -7.135 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.142 -5.226 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.059 -6.750 0.497 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.432 -6.041 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.700 -5.225 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.889 -6.042 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.839 -6.750 1.144 1.00 0.00 H new ATOM 997 N THR A 67 -8.232 -9.387 1.627 1.00 0.00 N ATOM 998 CA THR A 67 -9.393 -10.128 1.152 1.00 0.00 C ATOM 999 C THR A 67 -10.686 -9.382 1.462 1.00 0.00 C ATOM 1000 O THR A 67 -10.765 -8.635 2.436 1.00 0.00 O ATOM 1001 CB THR A 67 -9.459 -11.532 1.781 1.00 0.00 C ATOM 1002 OG1 THR A 67 -9.549 -11.426 3.206 1.00 0.00 O ATOM 1003 CG2 THR A 67 -8.235 -12.352 1.405 1.00 0.00 C ATOM 0 H THR A 67 -8.292 -9.090 2.601 1.00 0.00 H new ATOM 0 HA THR A 67 -9.285 -10.227 0.072 1.00 0.00 H new ATOM 0 HB THR A 67 -10.346 -12.036 1.397 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.592 -12.323 3.599 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.305 -13.340 1.861 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.185 -12.456 0.321 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.336 -11.850 1.763 1.00 0.00 H new ATOM 1011 N GLY A 68 -11.699 -9.591 0.627 1.00 0.00 N ATOM 1012 CA GLY A 68 -12.976 -8.932 0.830 1.00 0.00 C ATOM 1013 C GLY A 68 -13.156 -7.727 -0.072 1.00 0.00 C ATOM 1014 O GLY A 68 -14.133 -6.987 0.055 1.00 0.00 O ATOM 0 H GLY A 68 -11.658 -10.205 -0.187 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.782 -9.643 0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.058 -8.619 1.871 1.00 0.00 H new ATOM 1018 N LEU A 69 -12.212 -7.527 -0.985 1.00 0.00 N ATOM 1019 CA LEU A 69 -12.270 -6.402 -1.912 1.00 0.00 C ATOM 1020 C LEU A 69 -13.459 -6.536 -2.858 1.00 0.00 C ATOM 1021 O LEU A 69 -13.714 -7.610 -3.404 1.00 0.00 O ATOM 1022 CB LEU A 69 -10.972 -6.310 -2.716 1.00 0.00 C ATOM 1023 CG LEU A 69 -9.707 -6.000 -1.915 1.00 0.00 C ATOM 1024 CD1 LEU A 69 -8.467 -6.247 -2.759 1.00 0.00 C ATOM 1025 CD2 LEU A 69 -9.734 -4.564 -1.411 1.00 0.00 C ATOM 0 H LEU A 69 -11.397 -8.129 -1.103 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.394 -5.489 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.824 -7.255 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.094 -5.540 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.673 -6.666 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.577 -6.021 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.441 -7.291 -3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.493 -5.606 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.826 -4.361 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.792 -3.882 -2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.603 -4.420 -0.769 1.00 0.00 H new ATOM 1037 N HIS A 70 -14.184 -5.438 -3.049 1.00 0.00 N ATOM 1038 CA HIS A 70 -15.345 -5.432 -3.932 1.00 0.00 C ATOM 1039 C HIS A 70 -14.919 -5.564 -5.391 1.00 0.00 C ATOM 1040 O HIS A 70 -14.262 -4.679 -5.939 1.00 0.00 O ATOM 1041 CB HIS A 70 -16.153 -4.148 -3.738 1.00 0.00 C ATOM 1042 CG HIS A 70 -17.212 -4.260 -2.685 1.00 0.00 C ATOM 1043 ND1 HIS A 70 -18.364 -3.503 -2.693 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -17.289 -5.048 -1.587 1.00 0.00 C ATOM 1045 CE1 HIS A 70 -19.103 -3.819 -1.645 1.00 0.00 C ATOM 1046 NE2 HIS A 70 -18.473 -4.755 -0.957 1.00 0.00 N ATOM 0 H HIS A 70 -13.988 -4.541 -2.604 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.970 -6.288 -3.676 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.474 -3.338 -3.474 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.621 -3.876 -4.684 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -16.555 -5.773 -1.266 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -20.060 -3.386 -1.393 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.811 -5.189 -0.098 1.00 0.00 H new ATOM 1055 N LYS A 71 -15.296 -6.675 -6.014 1.00 0.00 N ATOM 1056 CA LYS A 71 -14.954 -6.924 -7.409 1.00 0.00 C ATOM 1057 C LYS A 71 -15.506 -5.823 -8.310 1.00 0.00 C ATOM 1058 O LYS A 71 -16.405 -5.080 -7.918 1.00 0.00 O ATOM 1059 CB LYS A 71 -15.499 -8.282 -7.855 1.00 0.00 C ATOM 1060 CG LYS A 71 -14.546 -9.436 -7.592 1.00 0.00 C ATOM 1061 CD LYS A 71 -14.837 -10.617 -8.503 1.00 0.00 C ATOM 1062 CE LYS A 71 -15.821 -11.584 -7.863 1.00 0.00 C ATOM 1063 NZ LYS A 71 -15.691 -12.958 -8.423 1.00 0.00 N ATOM 0 H LYS A 71 -15.839 -7.418 -5.574 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.867 -6.929 -7.495 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.440 -8.474 -7.339 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.723 -8.242 -8.921 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.519 -9.103 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.630 -9.749 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.242 -10.257 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.908 -11.139 -8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.654 -11.613 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.838 -11.223 -8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.500 -13.535 -8.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.673 -12.909 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.809 -13.390 -8.081 1.00 0.00 H new ATOM 1077 N GLY A 72 -14.963 -5.725 -9.519 1.00 0.00 N ATOM 1078 CA GLY A 72 -15.415 -4.713 -10.456 1.00 0.00 C ATOM 1079 C GLY A 72 -15.253 -3.307 -9.913 1.00 0.00 C ATOM 1080 O GLY A 72 -16.057 -2.422 -10.210 1.00 0.00 O ATOM 0 H GLY A 72 -14.218 -6.328 -9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.854 -4.807 -11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.464 -4.888 -10.697 1.00 0.00 H new ATOM 1084 N THR A 73 -14.212 -3.099 -9.113 1.00 0.00 N ATOM 1085 CA THR A 73 -13.950 -1.792 -8.525 1.00 0.00 C ATOM 1086 C THR A 73 -12.463 -1.457 -8.570 1.00 0.00 C ATOM 1087 O THR A 73 -11.614 -2.319 -8.340 1.00 0.00 O ATOM 1088 CB THR A 73 -14.435 -1.725 -7.064 1.00 0.00 C ATOM 1089 OG1 THR A 73 -15.865 -1.773 -7.021 1.00 0.00 O ATOM 1090 CG2 THR A 73 -13.944 -0.453 -6.389 1.00 0.00 C ATOM 0 H THR A 73 -13.537 -3.819 -8.858 1.00 0.00 H new ATOM 0 HA THR A 73 -14.503 -1.063 -9.117 1.00 0.00 H new ATOM 0 HB THR A 73 -14.027 -2.582 -6.528 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.166 -1.732 -6.089 1.00 0.00 H new ATOM 0 HG21 THR A 73 -14.299 -0.428 -5.359 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.854 -0.434 -6.398 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.327 0.415 -6.926 1.00 0.00 H new ATOM 1098 N THR A 74 -12.153 -0.199 -8.869 1.00 0.00 N ATOM 1099 CA THR A 74 -10.769 0.250 -8.945 1.00 0.00 C ATOM 1100 C THR A 74 -10.255 0.683 -7.577 1.00 0.00 C ATOM 1101 O THR A 74 -11.001 1.240 -6.771 1.00 0.00 O ATOM 1102 CB THR A 74 -10.611 1.420 -9.934 1.00 0.00 C ATOM 1103 OG1 THR A 74 -10.796 0.955 -11.276 1.00 0.00 O ATOM 1104 CG2 THR A 74 -9.238 2.061 -9.799 1.00 0.00 C ATOM 0 H THR A 74 -12.843 0.527 -9.063 1.00 0.00 H new ATOM 0 HA THR A 74 -10.182 -0.597 -9.299 1.00 0.00 H new ATOM 0 HB THR A 74 -11.368 2.169 -9.701 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.696 1.705 -11.899 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.150 2.885 -10.507 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.111 2.440 -8.785 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.468 1.319 -10.008 1.00 0.00 H new ATOM 1112 N TYR A 75 -8.977 0.426 -7.321 1.00 0.00 N ATOM 1113 CA TYR A 75 -8.364 0.788 -6.049 1.00 0.00 C ATOM 1114 C TYR A 75 -6.989 1.412 -6.265 1.00 0.00 C ATOM 1115 O TYR A 75 -6.370 1.229 -7.314 1.00 0.00 O ATOM 1116 CB TYR A 75 -8.243 -0.442 -5.148 1.00 0.00 C ATOM 1117 CG TYR A 75 -9.507 -0.757 -4.380 1.00 0.00 C ATOM 1118 CD1 TYR A 75 -9.756 -0.174 -3.144 1.00 0.00 C ATOM 1119 CD2 TYR A 75 -10.452 -1.638 -4.891 1.00 0.00 C ATOM 1120 CE1 TYR A 75 -10.909 -0.459 -2.439 1.00 0.00 C ATOM 1121 CE2 TYR A 75 -11.609 -1.928 -4.193 1.00 0.00 C ATOM 1122 CZ TYR A 75 -11.832 -1.337 -2.968 1.00 0.00 C ATOM 1123 OH TYR A 75 -12.983 -1.624 -2.269 1.00 0.00 O ATOM 0 H TYR A 75 -8.345 -0.032 -7.978 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.004 1.524 -5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.974 -1.304 -5.759 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.428 -0.286 -4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.036 0.514 -2.727 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.280 -2.104 -5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.087 0.003 -1.479 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -12.334 -2.614 -4.605 1.00 0.00 H new ATOM 0 HH TYR A 75 -13.527 -2.259 -2.781 1.00 0.00 H new ATOM 1133 N ILE A 76 -6.516 2.148 -5.264 1.00 0.00 N ATOM 1134 CA ILE A 76 -5.213 2.797 -5.343 1.00 0.00 C ATOM 1135 C ILE A 76 -4.352 2.450 -4.133 1.00 0.00 C ATOM 1136 O ILE A 76 -4.690 2.789 -2.999 1.00 0.00 O ATOM 1137 CB ILE A 76 -5.352 4.328 -5.438 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -6.306 4.706 -6.573 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -3.989 4.971 -5.647 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -7.741 4.870 -6.127 1.00 0.00 C ATOM 0 H ILE A 76 -7.016 2.309 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.730 2.427 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.767 4.700 -4.501 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.967 5.637 -7.027 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.260 3.939 -7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.103 6.053 -5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.338 4.725 -4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.548 4.596 -6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.360 5.138 -6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.099 3.933 -5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.801 5.658 -5.376 1.00 0.00 H new ATOM 1152 N PHE A 77 -3.236 1.773 -4.383 1.00 0.00 N ATOM 1153 CA PHE A 77 -2.325 1.380 -3.315 1.00 0.00 C ATOM 1154 C PHE A 77 -1.095 2.282 -3.290 1.00 0.00 C ATOM 1155 O PHE A 77 -0.560 2.650 -4.336 1.00 0.00 O ATOM 1156 CB PHE A 77 -1.898 -0.079 -3.490 1.00 0.00 C ATOM 1157 CG PHE A 77 -2.970 -1.066 -3.126 1.00 0.00 C ATOM 1158 CD1 PHE A 77 -3.908 -1.468 -4.063 1.00 0.00 C ATOM 1159 CD2 PHE A 77 -3.040 -1.591 -1.846 1.00 0.00 C ATOM 1160 CE1 PHE A 77 -4.895 -2.376 -3.731 1.00 0.00 C ATOM 1161 CE2 PHE A 77 -4.026 -2.499 -1.508 1.00 0.00 C ATOM 1162 CZ PHE A 77 -4.955 -2.892 -2.452 1.00 0.00 C ATOM 0 H PHE A 77 -2.941 1.485 -5.316 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.851 1.486 -2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.603 -0.241 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.018 -0.268 -2.875 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.867 -1.067 -5.065 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.316 -1.288 -1.104 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.619 -2.682 -4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.070 -2.901 -0.507 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.726 -3.601 -2.190 1.00 0.00 H new ATOM 1172 N ARG A 78 -0.652 2.636 -2.088 1.00 0.00 N ATOM 1173 CA ARG A 78 0.513 3.497 -1.925 1.00 0.00 C ATOM 1174 C ARG A 78 1.338 3.073 -0.714 1.00 0.00 C ATOM 1175 O ARG A 78 0.809 2.922 0.389 1.00 0.00 O ATOM 1176 CB ARG A 78 0.079 4.956 -1.775 1.00 0.00 C ATOM 1177 CG ARG A 78 -0.619 5.514 -3.004 1.00 0.00 C ATOM 1178 CD ARG A 78 -1.231 6.878 -2.727 1.00 0.00 C ATOM 1179 NE ARG A 78 -2.014 7.367 -3.858 1.00 0.00 N ATOM 1180 CZ ARG A 78 -2.654 8.531 -3.861 1.00 0.00 C ATOM 1181 NH1 ARG A 78 -2.603 9.322 -2.798 1.00 0.00 N ATOM 1182 NH2 ARG A 78 -3.346 8.907 -4.929 1.00 0.00 N ATOM 0 H ARG A 78 -1.083 2.340 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 78 1.132 3.400 -2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.589 5.041 -0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.956 5.566 -1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.095 5.594 -3.824 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.398 4.823 -3.326 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.868 6.817 -1.845 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.439 7.591 -2.499 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.073 6.783 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.071 9.037 -1.975 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.095 10.215 -2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.387 8.302 -5.749 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.837 9.801 -4.930 1.00 0.00 H new ATOM 1196 N LEU A 79 2.635 2.881 -0.926 1.00 0.00 N ATOM 1197 CA LEU A 79 3.534 2.473 0.149 1.00 0.00 C ATOM 1198 C LEU A 79 4.675 3.471 0.312 1.00 0.00 C ATOM 1199 O LEU A 79 5.056 4.155 -0.638 1.00 0.00 O ATOM 1200 CB LEU A 79 4.096 1.079 -0.132 1.00 0.00 C ATOM 1201 CG LEU A 79 4.877 0.428 1.011 1.00 0.00 C ATOM 1202 CD1 LEU A 79 3.940 0.037 2.143 1.00 0.00 C ATOM 1203 CD2 LEU A 79 5.645 -0.786 0.508 1.00 0.00 C ATOM 0 H LEU A 79 3.088 3.001 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 79 2.963 2.447 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.268 0.422 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.749 1.141 -1.003 1.00 0.00 H new ATOM 0 HG LEU A 79 5.594 1.153 1.395 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.513 -0.424 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.435 0.926 2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.199 -0.671 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.195 -1.237 1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.946 -1.514 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.345 -0.478 -0.268 1.00 0.00 H new ATOM 1215 N ALA A 80 5.220 3.548 1.522 1.00 0.00 N ATOM 1216 CA ALA A 80 6.321 4.459 1.808 1.00 0.00 C ATOM 1217 C ALA A 80 7.340 3.812 2.740 1.00 0.00 C ATOM 1218 O ALA A 80 6.983 3.025 3.615 1.00 0.00 O ATOM 1219 CB ALA A 80 5.793 5.751 2.414 1.00 0.00 C ATOM 0 H ALA A 80 4.916 2.990 2.320 1.00 0.00 H new ATOM 0 HA ALA A 80 6.823 4.690 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.626 6.422 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.109 6.229 1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.265 5.529 3.341 1.00 0.00 H new ATOM 1225 N ALA A 81 8.611 4.150 2.546 1.00 0.00 N ATOM 1226 CA ALA A 81 9.681 3.604 3.370 1.00 0.00 C ATOM 1227 C ALA A 81 9.947 4.489 4.583 1.00 0.00 C ATOM 1228 O ALA A 81 9.787 5.709 4.522 1.00 0.00 O ATOM 1229 CB ALA A 81 10.950 3.438 2.547 1.00 0.00 C ATOM 0 H ALA A 81 8.924 4.800 1.825 1.00 0.00 H new ATOM 0 HA ALA A 81 9.364 2.625 3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.741 3.029 3.176 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.759 2.758 1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.261 4.408 2.158 1.00 0.00 H new ATOM 1235 N LYS A 82 10.354 3.869 5.685 1.00 0.00 N ATOM 1236 CA LYS A 82 10.643 4.600 6.913 1.00 0.00 C ATOM 1237 C LYS A 82 12.046 4.280 7.419 1.00 0.00 C ATOM 1238 O LYS A 82 12.368 3.125 7.696 1.00 0.00 O ATOM 1239 CB LYS A 82 9.611 4.258 7.990 1.00 0.00 C ATOM 1240 CG LYS A 82 9.514 5.299 9.092 1.00 0.00 C ATOM 1241 CD LYS A 82 9.100 4.674 10.414 1.00 0.00 C ATOM 1242 CE LYS A 82 7.590 4.518 10.508 1.00 0.00 C ATOM 1243 NZ LYS A 82 7.127 3.232 9.916 1.00 0.00 N ATOM 0 H LYS A 82 10.491 2.861 5.753 1.00 0.00 H new ATOM 0 HA LYS A 82 10.589 5.666 6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.633 4.145 7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.866 3.295 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.477 5.797 9.209 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.792 6.064 8.808 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.575 3.699 10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.455 5.294 11.238 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.284 4.568 11.553 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.106 5.349 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.470 3.427 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.946 2.701 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.642 2.669 10.644 1.00 0.00 H new ATOM 1257 N ASN A 83 12.876 5.311 7.539 1.00 0.00 N ATOM 1258 CA ASN A 83 14.245 5.139 8.014 1.00 0.00 C ATOM 1259 C ASN A 83 14.470 5.905 9.314 1.00 0.00 C ATOM 1260 O ASN A 83 13.545 6.507 9.860 1.00 0.00 O ATOM 1261 CB ASN A 83 15.238 5.614 6.951 1.00 0.00 C ATOM 1262 CG ASN A 83 15.112 7.098 6.663 1.00 0.00 C ATOM 1263 OD1 ASN A 83 14.452 7.830 7.400 1.00 0.00 O ATOM 1264 ND2 ASN A 83 15.745 7.547 5.586 1.00 0.00 N ATOM 0 H ASN A 83 12.625 6.274 7.314 1.00 0.00 H new ATOM 0 HA ASN A 83 14.407 4.078 8.206 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.253 5.396 7.283 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.076 5.053 6.030 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.696 8.536 5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.281 6.903 5.004 1.00 0.00 H new ATOM 1271 N ARG A 84 15.705 5.876 9.805 1.00 0.00 N ATOM 1272 CA ARG A 84 16.051 6.567 11.041 1.00 0.00 C ATOM 1273 C ARG A 84 15.537 8.003 11.025 1.00 0.00 C ATOM 1274 O ARG A 84 15.238 8.578 12.071 1.00 0.00 O ATOM 1275 CB ARG A 84 17.567 6.559 11.246 1.00 0.00 C ATOM 1276 CG ARG A 84 18.089 5.283 11.886 1.00 0.00 C ATOM 1277 CD ARG A 84 18.059 5.368 13.404 1.00 0.00 C ATOM 1278 NE ARG A 84 19.058 6.300 13.919 1.00 0.00 N ATOM 1279 CZ ARG A 84 19.526 6.262 15.162 1.00 0.00 C ATOM 1280 NH1 ARG A 84 19.088 5.343 16.011 1.00 0.00 N ATOM 1281 NH2 ARG A 84 20.435 7.145 15.557 1.00 0.00 N ATOM 0 H ARG A 84 16.482 5.382 9.366 1.00 0.00 H new ATOM 0 HA ARG A 84 15.575 6.039 11.868 1.00 0.00 H new ATOM 0 HB2 ARG A 84 18.056 6.698 10.282 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.845 7.408 11.870 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.487 4.437 11.556 1.00 0.00 H new ATOM 0 HG3 ARG A 84 19.110 5.098 11.551 1.00 0.00 H new ATOM 0 HD2 ARG A 84 17.068 5.682 13.730 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.234 4.379 13.826 1.00 0.00 H new ATOM 0 HE ARG A 84 19.416 7.019 13.291 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.390 4.663 15.711 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.449 5.316 16.965 1.00 0.00 H new ATOM 0 HH21 ARG A 84 20.775 7.853 14.906 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.794 7.115 16.511 1.00 0.00 H new ATOM 1295 N ALA A 85 15.437 8.577 9.830 1.00 0.00 N ATOM 1296 CA ALA A 85 14.957 9.945 9.677 1.00 0.00 C ATOM 1297 C ALA A 85 13.433 9.993 9.660 1.00 0.00 C ATOM 1298 O ALA A 85 12.830 10.994 10.044 1.00 0.00 O ATOM 1299 CB ALA A 85 15.522 10.563 8.407 1.00 0.00 C ATOM 0 H ALA A 85 15.682 8.116 8.954 1.00 0.00 H new ATOM 0 HA ALA A 85 15.302 10.524 10.534 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.155 11.584 8.305 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.611 10.572 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.205 9.976 7.545 1.00 0.00 H new ATOM 1305 N GLY A 86 12.816 8.905 9.211 1.00 0.00 N ATOM 1306 CA GLY A 86 11.367 8.845 9.151 1.00 0.00 C ATOM 1307 C GLY A 86 10.861 8.386 7.798 1.00 0.00 C ATOM 1308 O GLY A 86 11.624 7.859 6.987 1.00 0.00 O ATOM 0 H GLY A 86 13.293 8.064 8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.002 8.165 9.921 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.956 9.830 9.374 1.00 0.00 H new ATOM 1312 N LEU A 87 9.571 8.585 7.552 1.00 0.00 N ATOM 1313 CA LEU A 87 8.962 8.186 6.288 1.00 0.00 C ATOM 1314 C LEU A 87 9.479 9.047 5.139 1.00 0.00 C ATOM 1315 O LEU A 87 9.827 10.211 5.331 1.00 0.00 O ATOM 1316 CB LEU A 87 7.439 8.293 6.376 1.00 0.00 C ATOM 1317 CG LEU A 87 6.781 7.562 7.547 1.00 0.00 C ATOM 1318 CD1 LEU A 87 5.461 8.223 7.914 1.00 0.00 C ATOM 1319 CD2 LEU A 87 6.569 6.094 7.207 1.00 0.00 C ATOM 0 H LEU A 87 8.926 9.020 8.211 1.00 0.00 H new ATOM 0 HA LEU A 87 9.236 7.149 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.172 9.348 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.014 7.909 5.449 1.00 0.00 H new ATOM 0 HG LEU A 87 7.446 7.622 8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.007 7.690 8.749 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.640 9.259 8.200 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.789 8.194 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.100 5.589 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.924 6.013 6.332 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.531 5.627 6.994 1.00 0.00 H new ATOM 1331 N GLY A 88 9.524 8.466 3.944 1.00 0.00 N ATOM 1332 CA GLY A 88 9.997 9.195 2.782 1.00 0.00 C ATOM 1333 C GLY A 88 8.980 9.217 1.658 1.00 0.00 C ATOM 1334 O GLY A 88 7.776 9.291 1.903 1.00 0.00 O ATOM 0 H GLY A 88 9.241 7.503 3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.236 10.218 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.921 8.741 2.423 1.00 0.00 H new ATOM 1338 N GLU A 89 9.465 9.154 0.422 1.00 0.00 N ATOM 1339 CA GLU A 89 8.589 9.170 -0.743 1.00 0.00 C ATOM 1340 C GLU A 89 7.557 8.048 -0.664 1.00 0.00 C ATOM 1341 O GLU A 89 7.725 7.089 0.089 1.00 0.00 O ATOM 1342 CB GLU A 89 9.409 9.033 -2.028 1.00 0.00 C ATOM 1343 CG GLU A 89 9.872 10.363 -2.599 1.00 0.00 C ATOM 1344 CD GLU A 89 8.870 10.962 -3.567 1.00 0.00 C ATOM 1345 OE1 GLU A 89 8.194 10.189 -4.277 1.00 0.00 O ATOM 1346 OE2 GLU A 89 8.762 12.206 -3.613 1.00 0.00 O ATOM 0 H GLU A 89 10.459 9.091 0.202 1.00 0.00 H new ATOM 0 HA GLU A 89 8.063 10.124 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.281 8.410 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.811 8.514 -2.777 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.047 11.064 -1.783 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.825 10.223 -3.109 1.00 0.00 H new ATOM 1353 N GLU A 90 6.490 8.176 -1.446 1.00 0.00 N ATOM 1354 CA GLU A 90 5.431 7.174 -1.463 1.00 0.00 C ATOM 1355 C GLU A 90 5.100 6.757 -2.893 1.00 0.00 C ATOM 1356 O GLU A 90 4.960 7.598 -3.781 1.00 0.00 O ATOM 1357 CB GLU A 90 4.176 7.714 -0.774 1.00 0.00 C ATOM 1358 CG GLU A 90 3.644 8.994 -1.396 1.00 0.00 C ATOM 1359 CD GLU A 90 2.141 9.133 -1.248 1.00 0.00 C ATOM 1360 OE1 GLU A 90 1.631 8.898 -0.133 1.00 0.00 O ATOM 1361 OE2 GLU A 90 1.475 9.476 -2.248 1.00 0.00 O ATOM 0 H GLU A 90 6.336 8.963 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 90 5.786 6.298 -0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.397 6.952 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.399 7.896 0.277 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.132 9.850 -0.930 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.905 9.015 -2.454 1.00 0.00 H new ATOM 1368 N PHE A 91 4.975 5.451 -3.108 1.00 0.00 N ATOM 1369 CA PHE A 91 4.662 4.921 -4.430 1.00 0.00 C ATOM 1370 C PHE A 91 3.155 4.916 -4.671 1.00 0.00 C ATOM 1371 O PHE A 91 2.366 5.018 -3.732 1.00 0.00 O ATOM 1372 CB PHE A 91 5.218 3.503 -4.579 1.00 0.00 C ATOM 1373 CG PHE A 91 5.117 2.964 -5.977 1.00 0.00 C ATOM 1374 CD1 PHE A 91 5.893 3.493 -6.995 1.00 0.00 C ATOM 1375 CD2 PHE A 91 4.246 1.928 -6.272 1.00 0.00 C ATOM 1376 CE1 PHE A 91 5.803 2.998 -8.283 1.00 0.00 C ATOM 1377 CE2 PHE A 91 4.152 1.429 -7.558 1.00 0.00 C ATOM 1378 CZ PHE A 91 4.930 1.965 -8.565 1.00 0.00 C ATOM 0 H PHE A 91 5.086 4.741 -2.384 1.00 0.00 H new ATOM 0 HA PHE A 91 5.129 5.567 -5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.263 3.497 -4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.682 2.838 -3.902 1.00 0.00 H new ATOM 0 HD1 PHE A 91 6.576 4.301 -6.780 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.634 1.506 -5.489 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.414 3.418 -9.068 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.470 0.620 -7.775 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.856 1.578 -9.570 1.00 0.00 H new ATOM 1388 N GLU A 92 2.764 4.798 -5.936 1.00 0.00 N ATOM 1389 CA GLU A 92 1.353 4.782 -6.300 1.00 0.00 C ATOM 1390 C GLU A 92 1.082 3.741 -7.382 1.00 0.00 C ATOM 1391 O GLU A 92 1.740 3.724 -8.423 1.00 0.00 O ATOM 1392 CB GLU A 92 0.912 6.165 -6.787 1.00 0.00 C ATOM 1393 CG GLU A 92 -0.564 6.246 -7.135 1.00 0.00 C ATOM 1394 CD GLU A 92 -0.909 7.491 -7.930 1.00 0.00 C ATOM 1395 OE1 GLU A 92 -0.284 8.543 -7.682 1.00 0.00 O ATOM 1396 OE2 GLU A 92 -1.802 7.413 -8.798 1.00 0.00 O ATOM 0 H GLU A 92 3.405 4.712 -6.725 1.00 0.00 H new ATOM 0 HA GLU A 92 0.779 4.517 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.135 6.901 -6.015 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.499 6.436 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.847 5.363 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.151 6.232 -6.217 1.00 0.00 H new ATOM 1403 N LYS A 93 0.109 2.872 -7.129 1.00 0.00 N ATOM 1404 CA LYS A 93 -0.251 1.826 -8.079 1.00 0.00 C ATOM 1405 C LYS A 93 -1.766 1.687 -8.187 1.00 0.00 C ATOM 1406 O LYS A 93 -2.458 1.547 -7.179 1.00 0.00 O ATOM 1407 CB LYS A 93 0.366 0.491 -7.658 1.00 0.00 C ATOM 1408 CG LYS A 93 -0.205 -0.704 -8.402 1.00 0.00 C ATOM 1409 CD LYS A 93 -0.001 -0.576 -9.902 1.00 0.00 C ATOM 1410 CE LYS A 93 -0.309 -1.882 -10.619 1.00 0.00 C ATOM 1411 NZ LYS A 93 0.344 -1.947 -11.956 1.00 0.00 N ATOM 0 H LYS A 93 -0.445 2.872 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 93 0.141 2.107 -9.056 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.443 0.530 -7.822 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.212 0.350 -6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.272 -1.617 -8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.269 -0.794 -8.185 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.643 0.214 -10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.028 -0.281 -10.107 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.028 -2.720 -10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.388 -1.987 -10.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.110 -2.852 -12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.003 -1.162 -12.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.375 -1.873 -11.843 1.00 0.00 H new ATOM 1425 N GLU A 94 -2.274 1.726 -9.415 1.00 0.00 N ATOM 1426 CA GLU A 94 -3.707 1.603 -9.652 1.00 0.00 C ATOM 1427 C GLU A 94 -4.047 0.235 -10.235 1.00 0.00 C ATOM 1428 O GLU A 94 -3.398 -0.231 -11.172 1.00 0.00 O ATOM 1429 CB GLU A 94 -4.186 2.706 -10.599 1.00 0.00 C ATOM 1430 CG GLU A 94 -5.675 2.649 -10.896 1.00 0.00 C ATOM 1431 CD GLU A 94 -6.232 3.986 -11.345 1.00 0.00 C ATOM 1432 OE1 GLU A 94 -6.563 4.814 -10.470 1.00 0.00 O ATOM 1433 OE2 GLU A 94 -6.338 4.205 -12.569 1.00 0.00 O ATOM 0 H GLU A 94 -1.715 1.842 -10.260 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.218 1.708 -8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.948 3.676 -10.163 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.634 2.634 -11.536 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.859 1.904 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.207 2.319 -10.004 1.00 0.00 H new ATOM 1440 N ILE A 95 -5.068 -0.404 -9.674 1.00 0.00 N ATOM 1441 CA ILE A 95 -5.494 -1.718 -10.137 1.00 0.00 C ATOM 1442 C ILE A 95 -7.015 -1.818 -10.185 1.00 0.00 C ATOM 1443 O ILE A 95 -7.721 -0.874 -9.829 1.00 0.00 O ATOM 1444 CB ILE A 95 -4.946 -2.839 -9.235 1.00 0.00 C ATOM 1445 CG1 ILE A 95 -5.671 -2.839 -7.887 1.00 0.00 C ATOM 1446 CG2 ILE A 95 -3.447 -2.673 -9.036 1.00 0.00 C ATOM 1447 CD1 ILE A 95 -5.695 -1.485 -7.214 1.00 0.00 C ATOM 0 H ILE A 95 -5.616 -0.032 -8.898 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.092 -1.843 -11.142 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.124 -3.798 -9.722 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.696 -3.181 -8.035 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.188 -3.557 -7.224 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.074 -3.473 -8.396 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.945 -2.717 -10.002 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.247 -1.710 -8.567 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.225 -1.560 -6.264 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.673 -1.150 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.204 -0.768 -7.858 1.00 0.00 H new ATOM 1459 N ARG A 96 -7.514 -2.968 -10.625 1.00 0.00 N ATOM 1460 CA ARG A 96 -8.952 -3.192 -10.719 1.00 0.00 C ATOM 1461 C ARG A 96 -9.286 -4.669 -10.533 1.00 0.00 C ATOM 1462 O ARG A 96 -8.814 -5.523 -11.284 1.00 0.00 O ATOM 1463 CB ARG A 96 -9.478 -2.705 -12.070 1.00 0.00 C ATOM 1464 CG ARG A 96 -10.991 -2.566 -12.120 1.00 0.00 C ATOM 1465 CD ARG A 96 -11.427 -1.623 -13.230 1.00 0.00 C ATOM 1466 NE ARG A 96 -10.890 -2.021 -14.529 1.00 0.00 N ATOM 1467 CZ ARG A 96 -11.331 -1.540 -15.686 1.00 0.00 C ATOM 1468 NH1 ARG A 96 -12.311 -0.647 -15.705 1.00 0.00 N ATOM 1469 NH2 ARG A 96 -10.792 -1.951 -16.826 1.00 0.00 N ATOM 0 H ARG A 96 -6.944 -3.760 -10.922 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.435 -2.625 -9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.025 -1.741 -12.301 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.160 -3.400 -12.847 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.443 -3.546 -12.275 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.355 -2.195 -11.162 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.516 -1.600 -13.279 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.097 -0.611 -12.996 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.135 -2.706 -14.549 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.728 -0.328 -14.830 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.648 -0.279 -16.594 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.038 -2.637 -16.815 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -11.132 -1.581 -17.714 1.00 0.00 H new ATOM 1483 N THR A 97 -10.102 -4.964 -9.526 1.00 0.00 N ATOM 1484 CA THR A 97 -10.498 -6.337 -9.239 1.00 0.00 C ATOM 1485 C THR A 97 -11.273 -6.940 -10.405 1.00 0.00 C ATOM 1486 O THR A 97 -12.115 -6.290 -11.025 1.00 0.00 O ATOM 1487 CB THR A 97 -11.361 -6.419 -7.967 1.00 0.00 C ATOM 1488 OG1 THR A 97 -12.332 -5.367 -7.965 1.00 0.00 O ATOM 1489 CG2 THR A 97 -10.497 -6.321 -6.719 1.00 0.00 C ATOM 0 H THR A 97 -10.502 -4.270 -8.895 1.00 0.00 H new ATOM 0 HA THR A 97 -9.581 -6.904 -9.083 1.00 0.00 H new ATOM 0 HB THR A 97 -11.870 -7.383 -7.962 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.294 -4.888 -7.111 1.00 0.00 H new ATOM 0 HG21 THR A 97 -11.129 -6.381 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.779 -7.141 -6.709 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.963 -5.371 -6.720 1.00 0.00 H new ATOM 1497 N PRO A 98 -10.984 -8.214 -10.713 1.00 0.00 N ATOM 1498 CA PRO A 98 -11.645 -8.933 -11.806 1.00 0.00 C ATOM 1499 C PRO A 98 -13.107 -9.236 -11.501 1.00 0.00 C ATOM 1500 O PRO A 98 -13.414 -10.015 -10.599 1.00 0.00 O ATOM 1501 CB PRO A 98 -10.841 -10.232 -11.913 1.00 0.00 C ATOM 1502 CG PRO A 98 -10.256 -10.427 -10.557 1.00 0.00 C ATOM 1503 CD PRO A 98 -9.991 -9.049 -10.017 1.00 0.00 C ATOM 0 HA PRO A 98 -11.662 -8.349 -12.726 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -11.479 -11.070 -12.194 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.063 -10.155 -12.673 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -10.943 -10.974 -9.911 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -9.336 -11.009 -10.609 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.120 -9.009 -8.935 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.973 -8.723 -10.229 1.00 0.00 H new ATOM 1511 N GLU A 99 -14.006 -8.614 -12.258 1.00 0.00 N ATOM 1512 CA GLU A 99 -15.437 -8.818 -12.066 1.00 0.00 C ATOM 1513 C GLU A 99 -15.856 -10.210 -12.532 1.00 0.00 C ATOM 1514 O GLU A 99 -15.545 -10.621 -13.650 1.00 0.00 O ATOM 1515 CB GLU A 99 -16.233 -7.753 -12.824 1.00 0.00 C ATOM 1516 CG GLU A 99 -15.832 -7.618 -14.284 1.00 0.00 C ATOM 1517 CD GLU A 99 -16.978 -7.160 -15.164 1.00 0.00 C ATOM 1518 OE1 GLU A 99 -17.186 -5.934 -15.278 1.00 0.00 O ATOM 1519 OE2 GLU A 99 -17.667 -8.028 -15.740 1.00 0.00 O ATOM 0 H GLU A 99 -13.769 -7.966 -13.009 1.00 0.00 H new ATOM 0 HA GLU A 99 -15.650 -8.731 -11.001 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -17.294 -7.996 -12.768 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -16.100 -6.791 -12.329 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.009 -6.908 -14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.462 -8.578 -14.646 1.00 0.00 H new ATOM 1526 N ASP A 100 -16.563 -10.929 -11.667 1.00 0.00 N ATOM 1527 CA ASP A 100 -17.025 -12.274 -11.990 1.00 0.00 C ATOM 1528 C ASP A 100 -17.701 -12.303 -13.357 1.00 0.00 C ATOM 1529 O ASP A 100 -18.000 -11.258 -13.936 1.00 0.00 O ATOM 1530 CB ASP A 100 -17.993 -12.774 -10.917 1.00 0.00 C ATOM 1531 CG ASP A 100 -19.434 -12.420 -11.227 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -19.689 -11.265 -11.628 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -20.308 -13.298 -11.070 1.00 0.00 O ATOM 0 H ASP A 100 -16.829 -10.603 -10.738 1.00 0.00 H new ATOM 0 HA ASP A 100 -16.157 -12.933 -12.021 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -17.900 -13.856 -10.823 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -17.716 -12.346 -9.954 1.00 0.00 H new ATOM 1538 N LEU A 101 -17.939 -13.506 -13.867 1.00 0.00 N ATOM 1539 CA LEU A 101 -18.579 -13.673 -15.167 1.00 0.00 C ATOM 1540 C LEU A 101 -20.048 -14.054 -15.007 1.00 0.00 C ATOM 1541 O LEU A 101 -20.416 -14.761 -14.069 1.00 0.00 O ATOM 1542 CB LEU A 101 -17.850 -14.740 -15.984 1.00 0.00 C ATOM 1543 CG LEU A 101 -18.518 -15.155 -17.296 1.00 0.00 C ATOM 1544 CD1 LEU A 101 -18.393 -14.049 -18.332 1.00 0.00 C ATOM 1545 CD2 LEU A 101 -17.911 -16.449 -17.818 1.00 0.00 C ATOM 0 H LEU A 101 -17.698 -14.380 -13.400 1.00 0.00 H new ATOM 0 HA LEU A 101 -18.525 -12.721 -15.695 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -16.848 -14.375 -16.210 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -17.733 -15.628 -15.363 1.00 0.00 H new ATOM 0 HG LEU A 101 -19.577 -15.326 -17.104 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.874 -14.362 -19.259 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -18.876 -13.146 -17.960 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -17.339 -13.845 -18.521 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -18.399 -16.729 -18.752 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -16.845 -16.306 -17.994 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -18.054 -17.241 -17.083 1.00 0.00 H new ATOM 1557 N SER A 102 -20.881 -13.583 -15.929 1.00 0.00 N ATOM 1558 CA SER A 102 -22.309 -13.873 -15.889 1.00 0.00 C ATOM 1559 C SER A 102 -22.762 -14.554 -17.177 1.00 0.00 C ATOM 1560 O SER A 102 -22.041 -14.562 -18.174 1.00 0.00 O ATOM 1561 CB SER A 102 -23.107 -12.585 -15.672 1.00 0.00 C ATOM 1562 OG SER A 102 -24.354 -12.856 -15.056 1.00 0.00 O ATOM 0 H SER A 102 -20.591 -12.999 -16.713 1.00 0.00 H new ATOM 0 HA SER A 102 -22.493 -14.551 -15.056 1.00 0.00 H new ATOM 0 HB2 SER A 102 -22.533 -11.898 -15.051 1.00 0.00 H new ATOM 0 HB3 SER A 102 -23.270 -12.089 -16.629 1.00 0.00 H new ATOM 0 HG SER A 102 -24.844 -12.017 -14.927 1.00 0.00 H new ATOM 1568 N GLY A 103 -23.962 -15.126 -17.146 1.00 0.00 N ATOM 1569 CA GLY A 103 -24.491 -15.802 -18.316 1.00 0.00 C ATOM 1570 C GLY A 103 -24.948 -17.215 -18.012 1.00 0.00 C ATOM 1571 O GLY A 103 -24.979 -17.645 -16.859 1.00 0.00 O ATOM 0 H GLY A 103 -24.577 -15.133 -16.332 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -25.329 -15.230 -18.714 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -23.726 -15.830 -19.092 1.00 0.00 H new ATOM 1575 N PRO A 104 -25.316 -17.961 -19.064 1.00 0.00 N ATOM 1576 CA PRO A 104 -25.782 -19.344 -18.928 1.00 0.00 C ATOM 1577 C PRO A 104 -24.663 -20.296 -18.520 1.00 0.00 C ATOM 1578 O PRO A 104 -23.688 -20.474 -19.251 1.00 0.00 O ATOM 1579 CB PRO A 104 -26.289 -19.687 -20.332 1.00 0.00 C ATOM 1580 CG PRO A 104 -25.530 -18.782 -21.240 1.00 0.00 C ATOM 1581 CD PRO A 104 -25.304 -17.513 -20.466 1.00 0.00 C ATOM 0 HA PRO A 104 -26.538 -19.444 -18.150 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -26.107 -20.734 -20.574 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -27.363 -19.522 -20.416 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -24.583 -19.232 -21.537 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -26.090 -18.587 -22.154 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -24.356 -17.045 -20.730 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -26.086 -16.779 -20.660 1.00 0.00 H new ATOM 1589 N SER A 105 -24.809 -20.906 -17.348 1.00 0.00 N ATOM 1590 CA SER A 105 -23.808 -21.837 -16.840 1.00 0.00 C ATOM 1591 C SER A 105 -23.935 -23.196 -17.522 1.00 0.00 C ATOM 1592 O SER A 105 -22.942 -23.782 -17.953 1.00 0.00 O ATOM 1593 CB SER A 105 -23.952 -21.998 -15.326 1.00 0.00 C ATOM 1594 OG SER A 105 -22.875 -22.746 -14.788 1.00 0.00 O ATOM 0 H SER A 105 -25.611 -20.772 -16.732 1.00 0.00 H new ATOM 0 HA SER A 105 -22.822 -21.429 -17.062 1.00 0.00 H new ATOM 0 HB2 SER A 105 -23.988 -21.016 -14.854 1.00 0.00 H new ATOM 0 HB3 SER A 105 -24.894 -22.496 -15.098 1.00 0.00 H new ATOM 0 HG SER A 105 -22.990 -22.834 -13.819 1.00 0.00 H new ATOM 1600 N SER A 106 -25.165 -23.691 -17.616 1.00 0.00 N ATOM 1601 CA SER A 106 -25.424 -24.982 -18.241 1.00 0.00 C ATOM 1602 C SER A 106 -25.133 -24.929 -19.738 1.00 0.00 C ATOM 1603 O SER A 106 -25.236 -23.875 -20.365 1.00 0.00 O ATOM 1604 CB SER A 106 -26.876 -25.405 -18.007 1.00 0.00 C ATOM 1605 OG SER A 106 -27.776 -24.420 -18.484 1.00 0.00 O ATOM 0 H SER A 106 -25.998 -23.217 -17.267 1.00 0.00 H new ATOM 0 HA SER A 106 -24.761 -25.717 -17.785 1.00 0.00 H new ATOM 0 HB2 SER A 106 -27.068 -26.352 -18.511 1.00 0.00 H new ATOM 0 HB3 SER A 106 -27.043 -25.570 -16.943 1.00 0.00 H new ATOM 0 HG SER A 106 -28.697 -24.714 -18.325 1.00 0.00 H new ATOM 1611 N GLY A 107 -24.769 -26.075 -20.305 1.00 0.00 N ATOM 1612 CA GLY A 107 -24.469 -26.139 -21.724 1.00 0.00 C ATOM 1613 C GLY A 107 -25.132 -27.319 -22.405 1.00 0.00 C ATOM 1614 O GLY A 107 -25.513 -28.289 -21.749 1.00 0.00 O ATOM 0 H GLY A 107 -24.676 -26.960 -19.807 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -24.796 -25.216 -22.203 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -23.390 -26.204 -21.861 1.00 0.00 H new TER 1618 GLY A 107